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 3jue_1_A DATA FIRST_RESID 404 DATA SEQUENCE VGHVVAQVQS VDGNAQCCDC REPAPEWASI NLGVTLCIQC SGIHRSLGVH DATA SEQUENCE FSKVRSLTLD SWEPELVKLM CELGNVIINQ IYEARVEAMA VKKPGPSCSR DATA SEQUENCE QEKEAWIHAK YVEKKFLTKL PXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXLHPGA LLFRASGHPP SLPTMADALA HGADVNWVNG DATA SEQUENCE GQDNATPLIQ ATAANSLLAC EFLLQNGANV NQADSAGRGP LHHATILGHT DATA SEQUENCE GLACLFLKRG ADLGARDSEG RDPLTIAMET ANADIVTLLR LAKM 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 404 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 404 V C 0.000 176.086 176.094 -0.013 0.000 1.182 404 V CA 0.000 62.304 62.300 0.007 0.000 1.235 404 V CB 0.000 31.838 31.823 0.025 0.000 1.184 405 G N 1.894 110.694 108.800 -0.001 0.000 2.225 405 G HA2 0.266 4.227 3.960 0.001 0.000 0.245 405 G HA3 0.266 4.227 3.960 0.001 0.000 0.245 405 G C -0.136 174.767 174.900 0.005 0.000 1.249 405 G CA 0.886 45.995 45.100 0.017 0.000 0.919 405 G HN 0.736 9.026 8.290 -0.000 0.000 0.486 406 H N 2.004 121.034 119.070 -0.068 0.000 3.241 406 H HA -0.052 4.505 4.556 0.001 0.000 0.236 406 H C 1.717 176.959 175.328 -0.144 0.000 0.801 406 H CA 0.285 56.278 56.048 -0.093 0.000 1.394 406 H CB 0.437 30.150 29.762 -0.081 0.000 1.482 406 H HN 0.190 8.470 8.280 -0.000 0.000 0.500 407 V N 4.595 124.292 119.914 -0.361 0.000 2.287 407 V HA -0.277 3.844 4.120 0.001 0.000 0.248 407 V C 2.396 178.239 176.094 -0.419 0.000 1.053 407 V CA 1.819 63.850 62.300 -0.448 0.000 1.027 407 V CB -0.546 30.870 31.823 -0.678 0.000 0.646 407 V HN 0.647 8.837 8.190 -0.000 0.000 0.447 408 V N -0.076 119.608 119.914 -0.385 0.000 2.490 408 V HA -0.216 3.905 4.120 0.001 0.000 0.250 408 V C 2.515 178.537 176.094 -0.119 0.000 1.061 408 V CA 2.152 64.304 62.300 -0.247 0.000 1.064 408 V CB -0.356 31.359 31.823 -0.179 0.000 0.670 408 V HN 0.526 8.716 8.190 -0.000 0.000 0.461 409 A N -0.871 121.931 122.820 -0.029 0.000 1.873 409 A HA -0.269 4.052 4.320 0.001 0.000 0.215 409 A C 2.193 179.743 177.584 -0.058 0.000 1.186 409 A CA 2.025 54.054 52.037 -0.012 0.000 0.616 409 A CB -0.642 18.379 19.000 0.036 0.000 0.823 409 A HN 0.680 8.830 8.150 -0.000 0.000 0.442 410 Q N -0.296 119.453 119.800 -0.085 0.000 2.046 410 Q HA -0.117 4.223 4.340 0.001 0.000 0.200 410 Q C 1.891 177.819 176.000 -0.120 0.000 0.975 410 Q CA 2.125 57.871 55.803 -0.096 0.000 0.836 410 Q CB -0.231 28.444 28.738 -0.105 0.000 0.896 410 Q HN 0.341 8.611 8.270 -0.000 0.000 0.428 411 V N 0.965 120.769 119.914 -0.185 0.000 2.427 411 V HA -0.250 3.871 4.120 0.001 0.000 0.248 411 V C 2.186 178.208 176.094 -0.120 0.000 1.051 411 V CA 2.022 64.209 62.300 -0.188 0.000 1.048 411 V CB -0.557 31.076 31.823 -0.317 0.000 0.666 411 V HN 0.438 8.628 8.190 -0.000 0.000 0.456 412 Q N 0.205 119.939 119.800 -0.109 0.000 2.291 412 Q HA -0.124 4.217 4.340 0.001 0.000 0.205 412 Q C 2.292 178.264 176.000 -0.048 0.000 0.970 412 Q CA 1.510 57.273 55.803 -0.067 0.000 0.876 412 Q CB -0.153 28.550 28.738 -0.058 0.000 0.935 412 Q HN 0.787 9.057 8.270 -0.000 0.000 0.455 413 S N -0.909 114.760 115.700 -0.052 0.000 2.562 413 S HA 0.052 4.523 4.470 0.001 0.000 0.221 413 S C 0.823 175.404 174.600 -0.033 0.000 0.975 413 S CA -0.394 57.783 58.200 -0.038 0.000 0.918 413 S CB 0.034 63.211 63.200 -0.038 0.000 0.772 413 S HN -0.025 8.285 8.310 -0.000 0.000 0.531 414 V N 2.860 122.751 119.914 -0.037 0.000 2.924 414 V HA 0.153 4.273 4.120 0.001 0.000 0.305 414 V C 0.590 176.674 176.094 -0.016 0.000 1.073 414 V CA -0.590 61.694 62.300 -0.028 0.000 1.098 414 V CB 0.525 32.329 31.823 -0.032 0.000 1.000 414 V HN 0.370 8.560 8.190 -0.000 0.000 0.484 415 D N 2.906 123.300 120.400 -0.010 0.000 2.660 415 D HA 0.083 4.724 4.640 0.001 0.000 0.253 415 D C 1.208 177.512 176.300 0.007 0.000 1.256 415 D CA 1.566 55.565 54.000 -0.001 0.000 0.914 415 D CB -0.017 40.784 40.800 0.001 0.000 1.137 415 D HN 1.003 9.373 8.370 -0.000 0.000 0.542 416 G N 4.210 113.015 108.800 0.007 0.000 2.155 416 G HA2 -0.372 3.589 3.960 0.001 0.000 0.257 416 G HA3 -0.372 3.589 3.960 0.001 0.000 0.257 416 G C 1.190 176.100 174.900 0.017 0.000 0.983 416 G CA 0.391 45.500 45.100 0.015 0.000 0.676 416 G HN 0.557 8.847 8.290 -0.000 0.000 0.528 417 N N 0.148 118.852 118.700 0.007 0.000 2.467 417 N HA 0.328 5.069 4.740 0.001 0.000 0.184 417 N C 2.098 177.608 175.510 -0.000 0.000 1.106 417 N CA 1.106 54.158 53.050 0.004 0.000 0.892 417 N CB -0.070 38.409 38.487 -0.014 0.000 0.969 417 N HN 0.693 9.073 8.380 -0.000 0.000 0.454 418 A N -0.515 122.304 122.820 -0.001 0.000 2.251 418 A HA 0.173 4.494 4.320 0.001 0.000 0.209 418 A C 0.304 177.892 177.584 0.007 0.000 1.187 418 A CA 0.239 52.275 52.037 -0.002 0.000 0.823 418 A CB 0.173 19.169 19.000 -0.007 0.000 0.846 418 A HN 0.095 8.245 8.150 -0.000 0.000 0.486 419 Q N -1.002 118.806 119.800 0.014 0.000 2.337 419 Q HA 0.411 4.751 4.340 0.001 0.000 0.266 419 Q C -0.305 175.716 176.000 0.035 0.000 1.023 419 Q CA -0.451 55.364 55.803 0.020 0.000 0.829 419 Q CB 1.595 30.342 28.738 0.014 0.000 1.306 419 Q HN 0.365 8.635 8.270 -0.000 0.000 0.449 420 C N 1.669 120.993 119.300 0.041 0.000 2.563 420 C HA -0.038 4.423 4.460 0.001 0.000 0.411 420 C C 2.229 177.264 174.990 0.075 0.000 1.386 420 C CA -0.089 58.965 59.018 0.060 0.000 1.703 420 C CB -0.367 27.411 27.740 0.063 0.000 2.596 420 C HN 1.135 9.365 8.230 -0.000 0.000 0.605 421 C N 3.680 123.042 119.300 0.104 0.000 2.425 421 C HA -0.048 4.413 4.460 0.001 0.000 0.277 421 C C 2.016 177.122 174.990 0.193 0.000 1.280 421 C CA 1.919 61.027 59.018 0.150 0.000 1.744 421 C CB -1.249 26.605 27.740 0.189 0.000 1.989 421 C HN 0.964 9.194 8.230 -0.000 0.000 0.491 422 D N -1.125 119.403 120.400 0.213 0.000 2.355 422 D HA 0.060 4.701 4.640 0.001 0.000 0.206 422 D C 1.678 178.029 176.300 0.085 0.000 1.010 422 D CA 1.365 55.526 54.000 0.269 0.000 0.875 422 D CB -0.127 40.921 40.800 0.414 0.000 0.966 422 D HN 0.738 9.108 8.370 -0.000 0.000 0.512 423 C N -1.166 118.155 119.300 0.035 0.000 3.911 423 C HA 0.471 4.932 4.460 0.001 0.000 0.318 423 C C 0.887 175.853 174.990 -0.041 0.000 1.643 423 C CA -0.492 58.497 59.018 -0.048 0.000 1.845 423 C CB -0.159 27.567 27.740 -0.022 0.000 2.981 423 C HN 0.179 8.409 8.230 -0.000 0.000 0.656 424 R N 0.393 120.888 120.500 -0.007 0.000 3.989 424 R HA -0.209 4.131 4.340 0.001 0.000 0.377 424 R C -0.061 176.239 176.300 -0.000 0.000 1.158 424 R CA 1.271 57.368 56.100 -0.006 0.000 1.035 424 R CB -2.001 28.282 30.300 -0.028 0.000 1.557 424 R HN 0.816 9.086 8.270 -0.000 0.000 0.551 425 E N 2.394 122.600 120.200 0.009 0.000 2.529 425 E HA 0.044 4.395 4.350 0.001 0.000 0.259 425 E C -2.096 174.518 176.600 0.022 0.000 0.966 425 E CA -1.229 55.181 56.400 0.017 0.000 0.937 425 E CB 0.589 30.307 29.700 0.031 0.000 0.923 425 E HN -0.000 8.360 8.360 -0.000 0.000 0.468 426 P HA 0.124 4.544 4.420 -0.000 0.000 0.274 426 P C -0.868 176.446 177.300 0.022 0.000 1.231 426 P CA 0.522 63.631 63.100 0.015 0.000 0.790 426 P CB 1.018 32.722 31.700 0.008 0.000 0.951 427 A N 1.512 124.342 122.820 0.015 0.000 2.667 427 A HA -0.109 4.212 4.320 0.001 0.000 0.298 427 A C -1.792 175.808 177.584 0.026 0.000 1.483 427 A CA -0.209 51.836 52.037 0.012 0.000 0.738 427 A CB -2.502 16.503 19.000 0.009 0.000 1.067 427 A HN 0.497 8.647 8.150 -0.000 0.000 0.451 428 P HA 0.226 4.646 4.420 -0.000 0.000 0.267 428 P C 0.230 177.549 177.300 0.031 0.000 1.205 428 P CA 0.336 63.479 63.100 0.072 0.000 0.765 428 P CB 0.685 32.429 31.700 0.074 0.000 0.828 429 E N 1.502 121.721 120.200 0.032 0.000 2.538 429 E HA 0.085 4.435 4.350 0.001 0.000 0.207 429 E C -0.414 175.941 176.600 -0.408 0.000 1.002 429 E CA -0.008 56.279 56.400 -0.188 0.000 0.952 429 E CB 0.225 29.773 29.700 -0.253 0.000 1.031 429 E HN 0.509 8.869 8.360 -0.000 0.000 0.476 430 W N 0.567 121.879 121.300 0.021 0.000 2.762 430 W HA 0.675 5.336 4.660 0.001 0.000 0.355 430 W C -0.238 176.308 176.519 0.044 0.000 1.124 430 W CA -0.640 56.730 57.345 0.042 0.000 1.141 430 W CB 1.225 30.693 29.460 0.013 0.000 1.432 430 W HN -0.224 7.956 8.180 -0.000 0.000 0.586 431 A N 0.748 123.776 122.820 0.347 0.000 2.594 431 A HA 0.654 4.975 4.320 0.001 0.000 0.295 431 A C -1.480 176.208 177.584 0.174 0.000 1.071 431 A CA -0.657 51.524 52.037 0.240 0.000 0.685 431 A CB 1.679 20.892 19.000 0.356 0.000 1.285 431 A HN 0.358 8.508 8.150 -0.000 0.000 0.405 432 S N 0.656 116.412 115.700 0.093 0.000 2.456 432 S HA 0.486 4.956 4.470 0.001 0.000 0.316 432 S C 0.853 175.525 174.600 0.121 0.000 1.089 432 S CA -0.289 57.950 58.200 0.065 0.000 1.101 432 S CB 0.089 63.285 63.200 -0.008 0.000 0.995 432 S HN 1.097 9.407 8.310 -0.000 0.000 0.468 433 I N 3.371 124.006 120.570 0.108 0.000 3.226 433 I HA 0.143 4.314 4.170 0.001 0.000 0.277 433 I C 1.652 177.852 176.117 0.138 0.000 1.243 433 I CA 0.309 61.688 61.300 0.131 0.000 1.459 433 I CB -0.231 37.783 38.000 0.023 0.000 1.093 433 I HN 0.578 8.788 8.210 -0.000 0.000 0.453 434 N N 2.333 121.087 118.700 0.090 0.000 2.368 434 N HA -0.049 4.692 4.740 0.001 0.000 0.176 434 N C 1.692 177.307 175.510 0.175 0.000 1.021 434 N CA 0.932 54.029 53.050 0.078 0.000 0.888 434 N CB -0.500 37.966 38.487 -0.036 0.000 0.995 434 N HN 0.440 8.820 8.380 -0.000 0.000 0.437 435 L N -0.324 120.984 121.223 0.141 0.000 2.209 435 L HA 0.203 4.544 4.340 0.001 0.000 0.207 435 L C 1.143 178.156 176.870 0.239 0.000 1.094 435 L CA 0.841 55.787 54.840 0.177 0.000 0.790 435 L CB -0.477 41.600 42.059 0.029 0.000 0.932 435 L HN 0.417 8.647 8.230 -0.000 0.000 0.447 436 G N 0.841 109.761 108.800 0.200 0.000 2.165 436 G HA2 -0.180 3.781 3.960 0.001 0.000 0.226 436 G HA3 -0.180 3.781 3.960 0.001 0.000 0.226 436 G C -0.074 174.899 174.900 0.122 0.000 1.035 436 G CA 0.112 45.310 45.100 0.164 0.000 0.744 436 G HN 0.296 8.586 8.290 -0.000 0.000 0.501 437 V N -2.656 117.327 119.914 0.115 0.000 3.040 437 V HA 0.981 5.102 4.120 0.001 0.000 0.312 437 V C 0.276 176.414 176.094 0.072 0.000 1.115 437 V CA -0.098 62.257 62.300 0.092 0.000 0.998 437 V CB 1.896 33.785 31.823 0.110 0.000 1.042 437 V HN 1.241 9.431 8.190 -0.000 0.000 0.433 438 T N 1.649 116.239 114.554 0.059 0.000 2.907 438 T HA 0.835 5.186 4.350 0.001 0.000 0.284 438 T C -0.569 174.164 174.700 0.055 0.000 1.004 438 T CA -0.602 61.532 62.100 0.056 0.000 1.063 438 T CB 1.181 70.068 68.868 0.031 0.000 0.992 438 T HN 0.821 9.061 8.240 -0.000 0.000 0.483 439 L N 1.629 122.901 121.223 0.082 0.000 2.424 439 L HA 0.588 4.929 4.340 0.001 0.000 0.258 439 L C 0.653 177.624 176.870 0.168 0.000 0.995 439 L CA -1.360 53.520 54.840 0.068 0.000 0.821 439 L CB 2.193 44.212 42.059 -0.066 0.000 1.383 439 L HN 1.075 9.305 8.230 -0.000 0.000 0.410 440 C N -0.511 118.866 119.300 0.128 0.000 2.480 440 C HA 0.448 4.908 4.460 0.001 0.000 0.344 440 C C 1.941 177.005 174.990 0.124 0.000 1.380 440 C CA -0.649 58.467 59.018 0.163 0.000 2.386 440 C CB 0.150 27.948 27.740 0.097 0.000 2.210 440 C HN 0.842 9.072 8.230 -0.000 0.000 0.640 441 I N 0.329 120.970 120.570 0.118 0.000 2.127 441 I HA -0.245 3.926 4.170 0.001 0.000 0.241 441 I C 2.953 178.989 176.117 -0.135 0.000 1.075 441 I CA 2.319 63.578 61.300 -0.069 0.000 1.334 441 I CB -0.816 37.209 38.000 0.042 0.000 1.040 441 I HN 0.860 9.070 8.210 -0.000 0.000 0.405 442 Q N 0.326 120.104 119.800 -0.036 0.000 2.002 442 Q HA -0.239 4.102 4.340 0.001 0.000 0.204 442 Q C 2.527 178.524 176.000 -0.004 0.000 0.988 442 Q CA 2.587 58.377 55.803 -0.021 0.000 0.843 442 Q CB -0.096 28.649 28.738 0.012 0.000 0.908 442 Q HN 0.581 8.851 8.270 -0.000 0.000 0.420 443 C N 0.241 119.560 119.300 0.032 0.000 2.435 443 C HA -0.079 4.382 4.460 0.001 0.000 0.279 443 C C 3.059 178.091 174.990 0.070 0.000 1.321 443 C CA 0.903 59.981 59.018 0.100 0.000 1.752 443 C CB -1.163 26.661 27.740 0.139 0.000 1.959 443 C HN 0.731 8.961 8.230 -0.000 0.000 0.500 444 S N 1.452 117.101 115.700 -0.085 0.000 2.383 444 S HA -0.048 4.423 4.470 0.001 0.000 0.227 444 S C 2.049 176.563 174.600 -0.144 0.000 1.026 444 S CA 1.564 59.660 58.200 -0.173 0.000 0.981 444 S CB -0.997 62.021 63.200 -0.303 0.000 0.818 444 S HN 0.581 8.891 8.310 -0.000 0.000 0.472 445 G N 2.116 110.805 108.800 -0.185 0.000 2.440 445 G HA2 -0.108 3.853 3.960 0.001 0.000 0.218 445 G HA3 -0.108 3.853 3.960 0.001 0.000 0.218 445 G C 1.401 176.283 174.900 -0.030 0.000 1.154 445 G CA 1.063 46.080 45.100 -0.138 0.000 0.767 445 G HN 0.572 8.862 8.290 -0.000 0.000 0.552 446 I N -0.098 120.491 120.570 0.032 0.000 2.179 446 I HA -0.149 4.022 4.170 0.001 0.000 0.242 446 I C 2.488 178.657 176.117 0.087 0.000 1.088 446 I CA 1.131 62.474 61.300 0.071 0.000 1.357 446 I CB -0.397 37.669 38.000 0.111 0.000 1.051 446 I HN 0.107 8.317 8.210 -0.000 0.000 0.409 447 H N 0.803 119.861 119.070 -0.021 0.000 2.426 447 H HA -0.145 4.412 4.556 0.001 0.000 0.298 447 H C 2.271 177.581 175.328 -0.030 0.000 1.107 447 H CA 1.390 57.413 56.048 -0.041 0.000 1.298 447 H CB -0.203 29.516 29.762 -0.070 0.000 1.377 447 H HN 0.213 8.493 8.280 -0.000 0.000 0.519 448 R N -0.639 119.905 120.500 0.073 0.000 2.189 448 R HA -0.029 4.312 4.340 0.001 0.000 0.223 448 R C 2.314 178.631 176.300 0.027 0.000 1.092 448 R CA 1.017 57.134 56.100 0.029 0.000 0.989 448 R CB 0.017 30.304 30.300 -0.021 0.000 0.876 448 R HN 0.135 8.405 8.270 -0.000 0.000 0.457 449 S N 0.934 116.647 115.700 0.022 0.000 2.423 449 S HA 0.004 4.475 4.470 0.001 0.000 0.231 449 S C 1.766 176.383 174.600 0.030 0.000 1.014 449 S CA 0.838 59.050 58.200 0.019 0.000 0.965 449 S CB 0.011 63.217 63.200 0.011 0.000 0.785 449 S HN 0.228 8.538 8.310 -0.000 0.000 0.495 450 L N 0.455 121.692 121.223 0.023 0.000 2.240 450 L HA 0.204 4.545 4.340 0.001 0.000 0.211 450 L C 1.297 178.284 176.870 0.195 0.000 1.106 450 L CA 0.371 55.233 54.840 0.037 0.000 0.793 450 L CB -1.047 40.974 42.059 -0.063 0.000 0.927 450 L HN 0.448 8.678 8.230 -0.000 0.000 0.446 451 G N -0.430 108.460 108.800 0.149 0.000 2.699 451 G HA2 -0.201 3.760 3.960 0.001 0.000 0.686 451 G HA3 -0.201 3.760 3.960 0.001 0.000 0.686 451 G C 0.307 175.299 174.900 0.153 0.000 1.301 451 G CA -0.359 44.832 45.100 0.153 0.000 0.816 451 G HN 0.054 8.344 8.290 -0.000 0.000 0.595 452 V N -2.213 117.757 119.914 0.093 0.000 2.626 452 V HA -0.103 4.018 4.120 0.001 0.000 0.252 452 V C 2.155 178.252 176.094 0.005 0.000 1.067 452 V CA 2.624 64.951 62.300 0.045 0.000 1.081 452 V CB -0.819 31.017 31.823 0.023 0.000 0.686 452 V HN 1.001 9.191 8.190 -0.000 0.000 0.468 453 H N -0.054 118.956 119.070 -0.100 0.000 2.422 453 H HA -0.141 4.416 4.556 0.001 0.000 0.298 453 H C 1.880 176.960 175.328 -0.413 0.000 1.098 453 H CA 2.521 58.397 56.048 -0.286 0.000 1.315 453 H CB 0.012 29.515 29.762 -0.431 0.000 1.382 453 H HN 0.556 8.836 8.280 -0.000 0.000 0.523 454 F N -0.562 119.348 119.950 -0.067 0.000 2.437 454 F HA 0.199 4.726 4.527 0.001 0.000 0.288 454 F C 0.936 176.631 175.800 -0.175 0.000 1.085 454 F CA 0.356 58.271 58.000 -0.142 0.000 1.430 454 F CB 0.495 39.442 39.000 -0.087 0.000 1.120 454 F HN -0.085 8.215 8.300 -0.000 0.000 0.556 455 S N -0.345 115.389 115.700 0.056 0.000 2.563 455 S HA 0.419 4.890 4.470 0.001 0.000 0.279 455 S C -1.310 173.318 174.600 0.047 0.000 1.155 455 S CA -0.836 57.387 58.200 0.037 0.000 0.928 455 S CB 0.872 64.124 63.200 0.085 0.000 1.107 455 S HN 0.043 8.353 8.310 -0.000 0.000 0.462 456 K N 3.115 123.535 120.400 0.033 0.000 2.449 456 K HA 0.509 4.830 4.320 0.001 0.000 0.257 456 K C -1.033 175.592 176.600 0.041 0.000 0.989 456 K CA -0.646 55.655 56.287 0.024 0.000 0.916 456 K CB 1.744 34.241 32.500 -0.005 0.000 1.136 456 K HN 0.366 8.616 8.250 -0.000 0.000 0.439 457 V N 4.262 124.211 119.914 0.058 0.000 2.465 457 V HA 0.400 4.520 4.120 0.001 0.000 0.279 457 V C 0.206 176.392 176.094 0.153 0.000 1.045 457 V CA -0.552 61.810 62.300 0.104 0.000 0.938 457 V CB 0.900 32.765 31.823 0.070 0.000 0.986 457 V HN 0.644 8.834 8.190 -0.000 0.000 0.467 458 R N 2.130 122.777 120.500 0.246 0.000 2.774 458 R HA 0.512 4.853 4.340 0.001 0.000 0.272 458 R C -0.611 175.914 176.300 0.376 0.000 1.000 458 R CA -0.693 55.534 56.100 0.211 0.000 0.906 458 R CB 2.004 32.245 30.300 -0.098 0.000 1.227 458 R HN 0.657 8.927 8.270 -0.000 0.000 0.468 459 S N 1.166 116.953 115.700 0.145 0.000 2.499 459 S HA 0.242 4.713 4.470 0.001 0.000 0.279 459 S C 1.479 176.113 174.600 0.058 0.000 1.219 459 S CA -0.557 57.429 58.200 -0.357 0.000 1.062 459 S CB 0.469 63.258 63.200 -0.684 0.000 0.978 459 S HN 0.556 8.866 8.310 -0.000 0.000 0.489 460 L N 3.888 125.042 121.223 -0.116 0.000 2.201 460 L HA -0.037 4.304 4.340 0.001 0.000 0.212 460 L C 2.459 179.195 176.870 -0.224 0.000 1.105 460 L CA 1.529 56.261 54.840 -0.179 0.000 0.775 460 L CB -0.617 41.258 42.059 -0.308 0.000 0.913 460 L HN 0.871 9.101 8.230 -0.000 0.000 0.440 461 T N -4.646 109.760 114.554 -0.247 0.000 3.000 461 T HA 0.162 4.513 4.350 0.001 0.000 0.248 461 T C 1.534 176.155 174.700 -0.132 0.000 1.034 461 T CA -0.041 61.932 62.100 -0.212 0.000 1.060 461 T CB 0.049 68.802 68.868 -0.191 0.000 0.983 461 T HN 0.164 8.404 8.240 -0.000 0.000 0.482 462 L N 0.425 121.566 121.223 -0.135 0.000 2.556 462 L HA 0.431 4.772 4.340 0.001 0.000 0.226 462 L C -0.042 176.823 176.870 -0.009 0.000 1.089 462 L CA -0.024 54.776 54.840 -0.068 0.000 0.864 462 L CB 0.094 42.105 42.059 -0.080 0.000 1.067 462 L HN 0.131 8.361 8.230 -0.000 0.000 0.477 463 D N -0.345 120.074 120.400 0.032 0.000 2.228 463 D HA 0.289 4.930 4.640 0.001 0.000 0.247 463 D C -0.288 176.063 176.300 0.085 0.000 0.995 463 D CA -0.160 53.850 54.000 0.016 0.000 0.903 463 D CB 1.917 42.673 40.800 -0.073 0.000 1.205 463 D HN -0.223 8.147 8.370 -0.000 0.000 0.459 464 S N 0.249 115.948 115.700 -0.001 0.000 2.592 464 S HA 0.304 4.775 4.470 0.001 0.000 0.271 464 S C -0.819 173.753 174.600 -0.046 0.000 1.326 464 S CA -0.331 57.901 58.200 0.053 0.000 1.024 464 S CB 0.417 63.622 63.200 0.008 0.000 0.921 464 S HN 0.261 8.571 8.310 -0.000 0.000 0.527 465 W N 1.513 122.787 121.300 -0.044 0.000 2.715 465 W HA 0.404 5.064 4.660 0.001 0.000 0.331 465 W C -0.184 176.321 176.519 -0.025 0.000 1.031 465 W CA -0.774 56.550 57.345 -0.034 0.000 1.237 465 W CB 0.635 30.066 29.460 -0.049 0.000 1.378 465 W HN 0.501 8.681 8.180 -0.000 0.000 0.454 466 E N 4.905 125.186 120.200 0.136 0.000 2.414 466 E HA 0.042 4.393 4.350 0.001 0.000 0.263 466 E C -1.187 175.492 176.600 0.130 0.000 1.000 466 E CA -0.841 55.615 56.400 0.094 0.000 0.914 466 E CB 1.062 30.787 29.700 0.042 0.000 0.948 466 E HN 0.037 8.397 8.360 -0.000 0.000 0.444 467 P HA -0.200 4.220 4.420 -0.000 0.000 0.215 467 P C 0.296 177.636 177.300 0.067 0.000 1.153 467 P CA 1.387 64.528 63.100 0.069 0.000 0.853 467 P CB 0.235 31.957 31.700 0.037 0.000 0.788 468 E N -0.216 120.018 120.200 0.056 0.000 2.130 468 E HA -0.189 4.161 4.350 0.001 0.000 0.196 468 E C 2.026 178.680 176.600 0.091 0.000 0.998 468 E CA 0.897 57.329 56.400 0.054 0.000 0.806 468 E CB -1.157 28.567 29.700 0.039 0.000 0.738 468 E HN 0.153 8.513 8.360 -0.000 0.000 0.459 469 L N 0.146 121.450 121.223 0.135 0.000 2.072 469 L HA -0.081 4.260 4.340 0.001 0.000 0.205 469 L C 2.074 179.104 176.870 0.268 0.000 1.079 469 L CA 1.175 56.140 54.840 0.207 0.000 0.752 469 L CB -0.262 41.927 42.059 0.216 0.000 0.906 469 L HN 0.023 8.253 8.230 -0.000 0.000 0.436 470 V N -0.063 119.993 119.914 0.238 0.000 2.287 470 V HA -0.294 3.827 4.120 0.001 0.000 0.248 470 V C 2.687 178.800 176.094 0.032 0.000 1.053 470 V CA 1.747 64.097 62.300 0.083 0.000 1.027 470 V CB -0.790 31.033 31.823 0.000 0.000 0.646 470 V HN 0.401 8.591 8.190 -0.000 0.000 0.447 471 K N -0.303 120.121 120.400 0.040 0.000 2.097 471 K HA -0.118 4.202 4.320 0.001 0.000 0.206 471 K C 2.095 178.703 176.600 0.013 0.000 1.049 471 K CA 1.151 57.446 56.287 0.013 0.000 0.933 471 K CB -0.767 31.740 32.500 0.012 0.000 0.717 471 K HN 0.361 8.611 8.250 -0.000 0.000 0.442 472 L N 1.334 122.583 121.223 0.044 0.000 2.012 472 L HA -0.136 4.205 4.340 0.001 0.000 0.210 472 L C 2.189 179.071 176.870 0.019 0.000 1.073 472 L CA 1.660 56.520 54.840 0.032 0.000 0.748 472 L CB -0.479 41.636 42.059 0.094 0.000 0.891 472 L HN 0.085 8.315 8.230 -0.000 0.000 0.431 473 M N -1.383 118.257 119.600 0.065 0.000 2.149 473 M HA -0.256 4.225 4.480 0.001 0.000 0.261 473 M C 2.374 178.669 176.300 -0.009 0.000 1.064 473 M CA 1.526 56.853 55.300 0.045 0.000 1.102 473 M CB -1.699 30.926 32.600 0.042 0.000 1.369 473 M HN 0.413 8.703 8.290 -0.000 0.000 0.408 474 C N 0.439 119.724 119.300 -0.024 0.000 2.456 474 C HA -0.038 4.423 4.460 0.001 0.000 0.279 474 C C 2.245 177.213 174.990 -0.036 0.000 1.427 474 C CA 0.428 59.425 59.018 -0.035 0.000 1.778 474 C CB -0.871 26.846 27.740 -0.037 0.000 1.842 474 C HN 0.488 8.718 8.230 -0.000 0.000 0.531 475 E N 0.235 120.406 120.200 -0.048 0.000 2.452 475 E HA 0.201 4.552 4.350 0.001 0.000 0.197 475 E C 1.275 177.825 176.600 -0.084 0.000 1.022 475 E CA 0.311 56.671 56.400 -0.066 0.000 0.890 475 E CB 0.227 29.876 29.700 -0.085 0.000 0.918 475 E HN 0.625 8.985 8.360 -0.000 0.000 0.496 476 L N -0.743 120.436 121.223 -0.074 0.000 2.615 476 L HA 0.500 4.841 4.340 0.001 0.000 0.206 476 L C 0.829 177.696 176.870 -0.006 0.000 1.581 476 L CA 0.145 54.950 54.840 -0.059 0.000 3.015 476 L CB -0.176 41.836 42.059 -0.080 0.000 2.814 476 L HN 0.141 8.371 8.230 -0.000 0.000 0.914 477 G N -0.324 108.492 108.800 0.026 0.000 2.619 477 G HA2 -0.206 3.754 3.960 0.001 0.000 0.686 477 G HA3 -0.206 3.754 3.960 0.001 0.000 0.686 477 G C -0.345 174.596 174.900 0.069 0.000 1.256 477 G CA 0.018 45.141 45.100 0.038 0.000 0.826 477 G HN 0.527 8.817 8.290 -0.000 0.000 0.619 478 N N -0.716 118.027 118.700 0.071 0.000 2.104 478 N HA -0.152 4.589 4.740 0.001 0.000 0.190 478 N C 2.420 177.988 175.510 0.097 0.000 1.024 478 N CA 1.478 54.586 53.050 0.096 0.000 0.853 478 N CB -0.041 38.494 38.487 0.080 0.000 1.008 478 N HN 0.377 8.757 8.380 -0.000 0.000 0.424 479 V N 1.564 121.519 119.914 0.068 0.000 2.295 479 V HA -0.209 3.912 4.120 0.001 0.000 0.246 479 V C 2.125 178.263 176.094 0.074 0.000 1.049 479 V CA 1.486 63.823 62.300 0.062 0.000 1.024 479 V CB -0.388 31.458 31.823 0.038 0.000 0.648 479 V HN 0.290 8.480 8.190 -0.000 0.000 0.447 480 I N -0.616 119.995 120.570 0.068 0.000 2.252 480 I HA -0.208 3.962 4.170 0.001 0.000 0.245 480 I C 2.259 178.448 176.117 0.120 0.000 1.102 480 I CA 1.239 62.581 61.300 0.071 0.000 1.385 480 I CB -0.243 37.781 38.000 0.040 0.000 1.064 480 I HN 0.217 8.427 8.210 -0.000 0.000 0.414 481 I N 0.723 121.390 120.570 0.162 0.000 2.252 481 I HA -0.235 3.936 4.170 0.001 0.000 0.245 481 I C 2.118 178.424 176.117 0.315 0.000 1.102 481 I CA 1.441 62.906 61.300 0.274 0.000 1.385 481 I CB -1.566 36.608 38.000 0.291 0.000 1.064 481 I HN 0.304 8.514 8.210 -0.000 0.000 0.414 482 N N 0.965 119.802 118.700 0.230 0.000 2.289 482 N HA -0.190 4.551 4.740 0.001 0.000 0.184 482 N C 1.807 177.410 175.510 0.156 0.000 1.016 482 N CA 0.885 54.057 53.050 0.203 0.000 0.872 482 N CB -0.276 38.305 38.487 0.157 0.000 0.973 482 N HN 0.499 8.879 8.380 -0.000 0.000 0.433 483 Q N -0.037 119.838 119.800 0.125 0.000 2.181 483 Q HA -0.037 4.304 4.340 0.001 0.000 0.205 483 Q C 1.773 177.826 176.000 0.088 0.000 0.980 483 Q CA 0.882 56.739 55.803 0.090 0.000 0.862 483 Q CB 0.070 28.849 28.738 0.069 0.000 0.905 483 Q HN 0.440 8.710 8.270 -0.000 0.000 0.429 484 I N -1.541 119.094 120.570 0.108 0.000 2.368 484 I HA -0.198 3.972 4.170 0.001 0.000 0.238 484 I C 1.398 177.508 176.117 -0.012 0.000 1.076 484 I CA 0.841 62.164 61.300 0.037 0.000 1.397 484 I CB -0.149 37.858 38.000 0.010 0.000 1.141 484 I HN 0.094 8.304 8.210 -0.000 0.000 0.430 485 Y N 0.719 121.061 120.300 0.070 0.000 2.561 485 Y HA -0.034 4.517 4.550 0.002 0.000 0.291 485 Y C 1.421 177.351 175.900 0.049 0.000 1.141 485 Y CA 0.787 58.896 58.100 0.016 0.000 1.303 485 Y CB 0.075 38.512 38.460 -0.039 0.000 1.015 485 Y HN 0.225 8.505 8.280 -0.000 0.000 0.547 486 E N -1.185 119.130 120.200 0.192 0.000 2.812 486 E HA 0.244 4.595 4.350 0.001 0.000 0.211 486 E C 1.595 178.250 176.600 0.092 0.000 0.986 486 E CA 0.132 56.610 56.400 0.130 0.000 1.119 486 E CB 0.474 30.254 29.700 0.133 0.000 1.046 486 E HN 0.312 8.672 8.360 -0.000 0.000 0.474 487 A N 1.319 124.198 122.820 0.098 0.000 1.948 487 A HA -0.202 4.118 4.320 0.001 0.000 0.220 487 A C 2.018 179.642 177.584 0.068 0.000 1.177 487 A CA 1.360 53.441 52.037 0.073 0.000 0.636 487 A CB -0.164 18.875 19.000 0.066 0.000 0.815 487 A HN 0.113 8.263 8.150 -0.000 0.000 0.449 488 R N -1.064 119.492 120.500 0.093 0.000 2.362 488 R HA 0.221 4.561 4.340 0.001 0.000 0.227 488 R C 1.517 177.861 176.300 0.073 0.000 0.905 488 R CA 0.328 56.482 56.100 0.089 0.000 1.067 488 R CB 0.057 30.422 30.300 0.108 0.000 1.078 488 R HN 0.351 8.621 8.270 -0.000 0.000 0.516 489 V N 1.573 121.493 119.914 0.011 0.000 2.278 489 V HA -0.333 3.788 4.120 0.001 0.000 0.251 489 V C 2.292 178.386 176.094 -0.001 0.000 1.062 489 V CA 2.255 64.514 62.300 -0.068 0.000 1.038 489 V CB -0.342 31.417 31.823 -0.107 0.000 0.646 489 V HN 0.402 8.592 8.190 -0.000 0.000 0.447 490 E N -0.265 119.941 120.200 0.010 0.000 2.072 490 E HA -0.191 4.160 4.350 0.001 0.000 0.191 490 E C 2.211 178.825 176.600 0.022 0.000 0.985 490 E CA 1.261 57.669 56.400 0.013 0.000 0.801 490 E CB -0.246 29.462 29.700 0.012 0.000 0.750 490 E HN 0.586 8.946 8.360 -0.000 0.000 0.452 491 A N 0.322 123.161 122.820 0.031 0.000 1.968 491 A HA -0.087 4.234 4.320 0.001 0.000 0.217 491 A C 2.017 179.627 177.584 0.044 0.000 1.169 491 A CA 1.051 53.108 52.037 0.034 0.000 0.638 491 A CB -0.312 18.709 19.000 0.036 0.000 0.812 491 A HN 0.272 8.422 8.150 -0.000 0.000 0.446 492 M N -1.256 118.380 119.600 0.060 0.000 2.619 492 M HA 0.188 4.669 4.480 0.001 0.000 0.251 492 M C 1.239 177.579 176.300 0.067 0.000 1.106 492 M CA 0.728 56.074 55.300 0.077 0.000 1.086 492 M CB -0.072 32.606 32.600 0.129 0.000 1.465 492 M HN 0.618 8.908 8.290 -0.000 0.000 0.506 493 A N -0.198 122.650 122.820 0.047 0.000 2.816 493 A HA -0.158 4.163 4.320 0.001 0.000 0.270 493 A C 0.409 178.022 177.584 0.047 0.000 1.413 493 A CA 0.791 52.850 52.037 0.037 0.000 0.866 493 A CB -2.182 16.837 19.000 0.032 0.000 1.032 493 A HN 0.375 8.525 8.150 -0.000 0.000 0.642 494 V N -0.552 119.403 119.914 0.069 0.000 2.863 494 V HA 0.576 4.696 4.120 0.001 0.000 0.307 494 V C 0.561 176.697 176.094 0.069 0.000 1.061 494 V CA -0.097 62.268 62.300 0.109 0.000 1.024 494 V CB 1.612 33.556 31.823 0.202 0.000 1.049 494 V HN 0.467 8.657 8.190 -0.000 0.000 0.471 495 K N 4.274 124.699 120.400 0.043 0.000 2.339 495 K HA 0.373 4.693 4.320 0.001 0.000 0.264 495 K C -0.263 176.079 176.600 -0.430 0.000 0.986 495 K CA -0.554 55.659 56.287 -0.123 0.000 0.866 495 K CB 0.919 33.364 32.500 -0.093 0.000 1.103 495 K HN 0.690 8.940 8.250 -0.000 0.000 0.441 496 K N 4.541 124.506 120.400 -0.726 0.000 2.414 496 K HA 0.141 4.462 4.320 0.001 0.000 0.272 496 K C -2.232 173.854 176.600 -0.858 0.000 0.993 496 K CA -1.234 54.209 56.287 -1.406 0.000 0.964 496 K CB 0.444 32.437 32.500 -0.845 0.000 0.925 496 K HN 0.283 8.533 8.250 -0.000 0.000 0.487 497 P HA 0.141 4.561 4.420 -0.000 0.000 0.274 497 P C -0.560 176.562 177.300 -0.297 0.000 1.231 497 P CA -0.478 62.366 63.100 -0.426 0.000 0.790 497 P CB 1.176 32.691 31.700 -0.307 0.000 0.951 498 G N 1.439 110.130 108.800 -0.180 0.000 2.552 498 G HA2 0.396 4.357 3.960 0.001 0.000 0.318 498 G HA3 0.396 4.357 3.960 0.001 0.000 0.318 498 G C -1.929 172.925 174.900 -0.075 0.000 1.240 498 G CA -1.574 43.455 45.100 -0.118 0.000 1.002 498 G HN 0.204 8.494 8.290 -0.000 0.000 0.493 499 P HA -0.065 4.355 4.420 -0.000 0.000 0.216 499 P C 1.809 179.098 177.300 -0.018 0.000 1.150 499 P CA 1.297 64.383 63.100 -0.023 0.000 0.843 499 P CB 0.272 31.964 31.700 -0.014 0.000 0.787 500 S N -2.002 113.684 115.700 -0.024 0.000 2.562 500 S HA 0.010 4.481 4.470 0.001 0.000 0.221 500 S C 0.935 175.524 174.600 -0.018 0.000 0.975 500 S CA 0.002 58.192 58.200 -0.017 0.000 0.918 500 S CB -0.859 62.330 63.200 -0.018 0.000 0.772 500 S HN 0.186 8.496 8.310 -0.000 0.000 0.531 501 C N 2.282 121.566 119.300 -0.027 0.000 2.700 501 C HA 0.309 4.770 4.460 0.001 0.000 0.397 501 C C 1.482 176.468 174.990 -0.006 0.000 1.301 501 C CA -0.670 58.334 59.018 -0.024 0.000 2.219 501 C CB 0.134 27.848 27.740 -0.043 0.000 2.699 501 C HN 0.474 8.704 8.230 -0.000 0.000 0.669 502 S N 0.903 116.602 115.700 -0.000 0.000 2.558 502 S HA -0.025 4.446 4.470 0.001 0.000 0.287 502 S C 1.491 176.102 174.600 0.019 0.000 1.321 502 S CA -0.014 58.191 58.200 0.009 0.000 1.048 502 S CB 0.246 63.453 63.200 0.011 0.000 0.844 502 S HN 0.806 9.116 8.310 -0.000 0.000 0.512 503 R N 2.229 122.740 120.500 0.019 0.000 2.091 503 R HA -0.170 4.171 4.340 0.001 0.000 0.238 503 R C 2.119 178.441 176.300 0.037 0.000 1.136 503 R CA 2.231 58.346 56.100 0.026 0.000 0.959 503 R CB -0.390 29.920 30.300 0.017 0.000 0.856 503 R HN 0.744 9.014 8.270 -0.000 0.000 0.437 504 Q N 0.219 120.036 119.800 0.029 0.000 2.096 504 Q HA -0.199 4.142 4.340 0.001 0.000 0.204 504 Q C 1.865 177.899 176.000 0.056 0.000 0.982 504 Q CA 2.155 57.977 55.803 0.032 0.000 0.850 504 Q CB -0.071 28.679 28.738 0.020 0.000 0.901 504 Q HN 0.481 8.751 8.270 -0.000 0.000 0.422 505 E N 0.345 120.579 120.200 0.057 0.000 2.072 505 E HA -0.184 4.166 4.350 0.001 0.000 0.191 505 E C 1.488 178.167 176.600 0.131 0.000 0.985 505 E CA 0.974 57.422 56.400 0.081 0.000 0.801 505 E CB 0.126 29.852 29.700 0.043 0.000 0.750 505 E HN 0.208 8.568 8.360 -0.000 0.000 0.452 506 K N 0.432 120.895 120.400 0.105 0.000 2.057 506 K HA -0.169 4.152 4.320 0.001 0.000 0.207 506 K C 2.190 178.914 176.600 0.206 0.000 1.049 506 K CA 1.538 57.918 56.287 0.155 0.000 0.931 506 K CB -0.097 32.467 32.500 0.106 0.000 0.714 506 K HN 0.180 8.430 8.250 -0.000 0.000 0.440 507 E N 0.606 120.889 120.200 0.138 0.000 2.049 507 E HA -0.232 4.119 4.350 0.001 0.000 0.198 507 E C 2.072 178.755 176.600 0.138 0.000 1.007 507 E CA 1.360 57.829 56.400 0.114 0.000 0.809 507 E CB -0.139 29.593 29.700 0.054 0.000 0.749 507 E HN 0.360 8.720 8.360 -0.000 0.000 0.450 508 A N 1.183 124.086 122.820 0.139 0.000 1.902 508 A HA -0.199 4.122 4.320 0.001 0.000 0.217 508 A C 1.931 179.649 177.584 0.224 0.000 1.181 508 A CA 1.130 53.253 52.037 0.143 0.000 0.623 508 A CB -0.940 18.138 19.000 0.130 0.000 0.818 508 A HN 0.578 8.728 8.150 -0.000 0.000 0.443 509 W N 0.556 121.919 121.300 0.105 0.000 2.379 509 W HA -0.154 4.506 4.660 0.001 0.000 0.307 509 W C 1.829 178.427 176.519 0.132 0.000 1.200 509 W CA 1.727 59.160 57.345 0.147 0.000 1.297 509 W CB -0.288 29.237 29.460 0.108 0.000 1.140 509 W HN 0.330 8.510 8.180 -0.000 0.000 0.507 510 I N -0.309 120.431 120.570 0.283 0.000 2.208 510 I HA -0.388 3.783 4.170 0.001 0.000 0.245 510 I C 2.774 178.914 176.117 0.038 0.000 1.097 510 I CA 1.718 63.132 61.300 0.189 0.000 1.363 510 I CB -1.063 37.089 38.000 0.253 0.000 1.051 510 I HN 0.053 8.263 8.210 -0.000 0.000 0.413 511 H N 1.168 120.200 119.070 -0.063 0.000 2.387 511 H HA -0.123 4.434 4.556 0.001 0.000 0.299 511 H C 2.212 177.406 175.328 -0.224 0.000 1.090 511 H CA 1.726 57.684 56.048 -0.150 0.000 1.332 511 H CB 0.286 29.977 29.762 -0.119 0.000 1.386 511 H HN 0.347 8.627 8.280 -0.000 0.000 0.516 512 A N 1.066 123.790 122.820 -0.159 0.000 1.898 512 A HA -0.146 4.175 4.320 0.001 0.000 0.216 512 A C 2.490 179.699 177.584 -0.624 0.000 1.181 512 A CA 1.572 53.368 52.037 -0.402 0.000 0.620 512 A CB -0.413 18.322 19.000 -0.441 0.000 0.819 512 A HN 0.420 8.570 8.150 -0.000 0.000 0.442 513 K N -1.599 118.466 120.400 -0.559 0.000 1.984 513 K HA -0.140 4.181 4.320 0.001 0.000 0.209 513 K C 1.708 178.056 176.600 -0.420 0.000 1.046 513 K CA 1.946 57.903 56.287 -0.551 0.000 0.934 513 K CB -0.296 31.768 32.500 -0.726 0.000 0.717 513 K HN 0.583 8.833 8.250 -0.000 0.000 0.438 514 Y N -0.843 119.329 120.300 -0.212 0.000 2.479 514 Y HA 0.030 4.581 4.550 0.001 0.000 0.283 514 Y C 1.940 177.708 175.900 -0.219 0.000 1.109 514 Y CA -0.098 57.896 58.100 -0.177 0.000 1.239 514 Y CB 0.581 38.863 38.460 -0.296 0.000 1.108 514 Y HN -0.137 8.143 8.280 -0.000 0.000 0.548 515 V N -0.335 119.339 119.914 -0.399 0.000 2.436 515 V HA -0.126 3.994 4.120 0.001 0.000 0.240 515 V C 1.973 177.859 176.094 -0.347 0.000 1.040 515 V CA 1.534 63.444 62.300 -0.651 0.000 1.052 515 V CB -0.175 30.915 31.823 -1.221 0.000 0.707 515 V HN 0.257 8.447 8.190 -0.000 0.000 0.469 516 E N 0.283 120.234 120.200 -0.415 0.000 2.208 516 E HA -0.140 4.211 4.350 0.001 0.000 0.193 516 E C 0.127 176.582 176.600 -0.241 0.000 0.988 516 E CA 0.279 56.511 56.400 -0.280 0.000 0.828 516 E CB 0.221 29.748 29.700 -0.288 0.000 0.763 516 E HN 0.328 8.688 8.360 -0.000 0.000 0.478 517 K N 0.079 120.328 120.400 -0.252 0.000 3.071 517 K HA -0.249 4.072 4.320 0.001 0.000 0.265 517 K C 0.576 176.971 176.600 -0.343 0.000 1.060 517 K CA 0.879 57.034 56.287 -0.219 0.000 0.767 517 K CB -1.563 30.852 32.500 -0.142 0.000 1.241 517 K HN 0.241 8.491 8.250 -0.000 0.000 0.486 518 K N 0.017 120.062 120.400 -0.592 0.000 2.288 518 K HA -0.004 4.316 4.320 0.001 0.000 0.201 518 K C 1.160 177.369 176.600 -0.651 0.000 1.048 518 K CA 1.103 56.959 56.287 -0.718 0.000 0.956 518 K CB 0.066 31.939 32.500 -1.046 0.000 0.746 518 K HN 0.287 8.537 8.250 -0.000 0.000 0.461 519 F N 0.390 120.227 119.950 -0.189 0.000 2.653 519 F HA 0.181 4.709 4.527 0.001 0.000 0.304 519 F C 0.093 175.826 175.800 -0.111 0.000 1.092 519 F CA -1.169 56.743 58.000 -0.148 0.000 1.279 519 F CB 0.353 39.244 39.000 -0.181 0.000 1.044 519 F HN -0.153 8.147 8.300 -0.000 0.000 0.564 520 L N 1.207 122.395 121.223 -0.057 0.000 2.461 520 L HA 0.129 4.470 4.340 0.001 0.000 0.272 520 L C 1.201 178.079 176.870 0.013 0.000 1.197 520 L CA -0.124 54.653 54.840 -0.104 0.000 0.836 520 L CB 0.443 42.308 42.059 -0.323 0.000 1.105 520 L HN 0.169 8.399 8.230 -0.000 0.000 0.477 521 T N -0.528 114.084 114.554 0.097 0.000 2.802 521 T HA 0.085 4.436 4.350 0.001 0.000 0.305 521 T C 1.157 175.962 174.700 0.176 0.000 1.053 521 T CA -0.274 61.896 62.100 0.118 0.000 1.058 521 T CB 0.489 69.411 68.868 0.091 0.000 0.988 521 T HN 0.637 8.877 8.240 -0.000 0.000 0.539 522 K N -0.463 119.987 120.400 0.084 0.000 2.026 522 K HA -0.023 4.298 4.320 0.001 0.000 0.208 522 K C 0.133 176.765 176.600 0.054 0.000 1.048 522 K CA 0.854 57.179 56.287 0.063 0.000 0.929 522 K CB -0.099 32.409 32.500 0.014 0.000 0.713 522 K HN 0.390 8.640 8.250 -0.000 0.000 0.439 523 L N 1.451 122.638 121.223 -0.060 0.000 2.334 523 L HA 0.400 4.740 4.340 0.001 0.000 0.276 523 L C -2.166 174.387 176.870 -0.529 0.000 1.014 523 L CA -2.722 51.975 54.840 -0.240 0.000 0.815 523 L CB 1.286 43.256 42.059 -0.148 0.000 1.268 523 L HN 0.101 8.331 8.230 -0.000 0.000 0.428 570 H N 0.347 119.368 119.070 -0.081 0.000 2.791 570 H HA 0.279 4.835 4.556 0.001 0.000 0.272 570 H C -2.083 173.138 175.328 -0.179 0.000 1.188 570 H CA -1.307 54.679 56.048 -0.103 0.000 1.436 570 H CB 1.815 31.523 29.762 -0.090 0.000 1.467 570 H HN -0.099 8.181 8.280 -0.000 0.000 0.500 571 P HA -0.107 4.313 4.420 -0.000 0.000 0.216 571 P C 1.833 178.998 177.300 -0.226 0.000 1.153 571 P CA 1.177 64.209 63.100 -0.115 0.000 0.848 571 P CB 0.319 31.996 31.700 -0.038 0.000 0.787 572 G N 0.372 108.946 108.800 -0.377 0.000 2.433 572 G HA2 -0.260 3.701 3.960 0.001 0.000 0.216 572 G HA3 -0.260 3.701 3.960 0.001 0.000 0.216 572 G C 1.694 175.772 174.900 -1.370 0.000 1.186 572 G CA 1.037 45.607 45.100 -0.883 0.000 0.779 572 G HN 0.310 8.600 8.290 -0.000 0.000 0.543 573 A N 0.258 122.198 122.820 -1.466 0.000 1.940 573 A HA 0.023 4.344 4.320 0.001 0.000 0.219 573 A C 2.365 179.710 177.584 -0.399 0.000 1.176 573 A CA 1.772 53.149 52.037 -1.100 0.000 0.631 573 A CB -0.431 18.224 19.000 -0.574 0.000 0.814 573 A HN 0.448 8.598 8.150 -0.000 0.000 0.446 574 L N -0.745 120.314 121.223 -0.273 0.000 2.046 574 L HA -0.106 4.234 4.340 0.001 0.000 0.208 574 L C 2.242 179.063 176.870 -0.081 0.000 1.077 574 L CA 2.066 56.832 54.840 -0.124 0.000 0.747 574 L CB -0.670 41.329 42.059 -0.100 0.000 0.896 574 L HN 0.372 8.602 8.230 -0.000 0.000 0.432 575 L N -1.139 120.018 121.223 -0.111 0.000 2.012 575 L HA -0.222 4.119 4.340 0.001 0.000 0.210 575 L C 2.345 179.230 176.870 0.025 0.000 1.073 575 L CA 1.968 56.792 54.840 -0.027 0.000 0.748 575 L CB -1.015 41.031 42.059 -0.022 0.000 0.891 575 L HN 0.352 8.582 8.230 -0.000 0.000 0.431 576 F N 0.451 120.318 119.950 -0.137 0.000 2.065 576 F HA -0.279 4.248 4.527 0.001 0.000 0.298 576 F C 2.643 178.443 175.800 0.001 0.000 1.112 576 F CA 2.039 60.032 58.000 -0.012 0.000 1.212 576 F CB -0.258 38.764 39.000 0.037 0.000 0.975 576 F HN 0.013 8.313 8.300 -0.000 0.000 0.476 577 R N -0.041 120.556 120.500 0.161 0.000 2.083 577 R HA -0.167 4.174 4.340 0.001 0.000 0.237 577 R C 2.342 178.631 176.300 -0.018 0.000 1.137 577 R CA 1.404 57.548 56.100 0.072 0.000 0.951 577 R CB -0.876 29.469 30.300 0.074 0.000 0.851 577 R HN 0.410 8.680 8.270 -0.000 0.000 0.434 578 A N 0.114 122.925 122.820 -0.015 0.000 2.119 578 A HA -0.039 4.281 4.320 0.001 0.000 0.217 578 A C 1.928 179.499 177.584 -0.021 0.000 1.153 578 A CA 1.106 53.134 52.037 -0.016 0.000 0.692 578 A CB -0.027 18.975 19.000 0.004 0.000 0.799 578 A HN 0.198 8.348 8.150 -0.000 0.000 0.458 579 S N -0.262 115.411 115.700 -0.045 0.000 2.522 579 S HA 0.194 4.664 4.470 0.001 0.000 0.227 579 S C 1.158 175.711 174.600 -0.079 0.000 0.986 579 S CA 0.355 58.527 58.200 -0.046 0.000 0.929 579 S CB -0.063 63.096 63.200 -0.069 0.000 0.769 579 S HN 0.713 9.023 8.310 -0.000 0.000 0.529 580 G N 0.118 108.852 108.800 -0.110 0.000 2.502 580 G HA2 0.425 4.385 3.960 0.001 0.000 0.305 580 G HA3 0.425 4.385 3.960 0.001 0.000 0.305 580 G C -0.712 174.187 174.900 -0.002 0.000 1.190 580 G CA -0.692 44.361 45.100 -0.077 0.000 0.933 580 G HN 0.369 8.659 8.290 -0.000 0.000 0.503 581 H N 1.068 120.115 119.070 -0.037 0.000 3.004 581 H HA 0.300 4.857 4.556 0.001 0.000 0.316 581 H C -1.620 173.701 175.328 -0.011 0.000 1.014 581 H CA -0.712 55.325 56.048 -0.018 0.000 1.454 581 H CB 0.623 30.382 29.762 -0.005 0.000 1.472 581 H HN 0.250 8.530 8.280 -0.000 0.000 0.571 582 P HA 0.277 4.697 4.420 -0.000 0.000 0.290 582 P C -2.882 174.314 177.300 -0.173 0.000 1.276 582 P CA -1.845 60.964 63.100 -0.485 0.000 0.808 582 P CB 1.172 32.557 31.700 -0.524 0.000 0.966 583 P HA 0.152 4.572 4.420 -0.000 0.000 0.275 583 P C -0.321 176.949 177.300 -0.049 0.000 1.227 583 P CA -0.171 62.902 63.100 -0.045 0.000 0.781 583 P CB 0.568 32.263 31.700 -0.008 0.000 0.906 584 S N 2.386 118.063 115.700 -0.037 0.000 2.528 584 S HA 0.255 4.726 4.470 0.001 0.000 0.303 584 S C 1.096 175.676 174.600 -0.033 0.000 1.123 584 S CA -0.628 57.549 58.200 -0.039 0.000 1.138 584 S CB -0.660 62.520 63.200 -0.033 0.000 0.984 584 S HN 0.281 8.591 8.310 -0.000 0.000 0.474 585 L N 5.071 126.249 121.223 -0.075 0.000 2.079 585 L HA 0.014 4.355 4.340 0.001 0.000 0.210 585 L C -0.858 175.926 176.870 -0.145 0.000 1.081 585 L CA 1.137 55.878 54.840 -0.164 0.000 0.752 585 L CB -1.296 40.585 42.059 -0.296 0.000 0.896 585 L HN 0.444 8.674 8.230 -0.000 0.000 0.433 586 P HA -0.121 4.299 4.420 -0.000 0.000 0.217 586 P C 1.574 178.889 177.300 0.024 0.000 1.150 586 P CA 1.372 64.458 63.100 -0.024 0.000 0.832 586 P CB -0.052 31.638 31.700 -0.017 0.000 0.787 587 T N -0.928 113.635 114.554 0.016 0.000 2.777 587 T HA -0.082 4.269 4.350 0.001 0.000 0.266 587 T C 1.763 176.506 174.700 0.071 0.000 1.040 587 T CA 1.322 63.438 62.100 0.028 0.000 1.141 587 T CB -0.766 68.104 68.868 0.003 0.000 0.868 587 T HN 0.083 8.323 8.240 -0.000 0.000 0.444 588 M N 1.282 120.948 119.600 0.110 0.000 2.108 588 M HA -0.081 4.399 4.480 0.001 0.000 0.261 588 M C 2.815 179.307 176.300 0.321 0.000 1.066 588 M CA 1.690 57.120 55.300 0.218 0.000 1.107 588 M CB -0.553 32.253 32.600 0.343 0.000 1.356 588 M HN 0.303 8.593 8.290 -0.000 0.000 0.406 589 A N 0.061 123.094 122.820 0.355 0.000 1.902 589 A HA -0.209 4.112 4.320 0.001 0.000 0.217 589 A C 1.910 179.636 177.584 0.236 0.000 1.181 589 A CA 2.113 54.391 52.037 0.401 0.000 0.623 589 A CB -0.762 18.416 19.000 0.297 0.000 0.818 589 A HN 0.441 8.591 8.150 -0.000 0.000 0.443 590 D N -0.076 120.419 120.400 0.158 0.000 2.097 590 D HA -0.048 4.593 4.640 0.001 0.000 0.195 590 D C 2.165 178.582 176.300 0.194 0.000 0.989 590 D CA 1.580 55.664 54.000 0.141 0.000 0.827 590 D CB -0.290 40.558 40.800 0.080 0.000 0.966 590 D HN 0.309 8.679 8.370 -0.000 0.000 0.456 591 A N 0.415 123.300 122.820 0.108 0.000 1.883 591 A HA -0.132 4.189 4.320 0.001 0.000 0.217 591 A C 2.589 180.231 177.584 0.097 0.000 1.186 591 A CA 1.200 53.279 52.037 0.070 0.000 0.624 591 A CB -0.888 18.120 19.000 0.013 0.000 0.822 591 A HN 0.350 8.500 8.150 -0.000 0.000 0.444 592 L N -0.815 120.468 121.223 0.100 0.000 2.017 592 L HA -0.192 4.149 4.340 0.001 0.000 0.208 592 L C 3.106 180.017 176.870 0.069 0.000 1.073 592 L CA 1.081 55.962 54.840 0.069 0.000 0.745 592 L CB -0.500 41.586 42.059 0.045 0.000 0.894 592 L HN 0.434 8.664 8.230 -0.000 0.000 0.432 593 A N -1.119 121.736 122.820 0.058 0.000 1.986 593 A HA -0.235 4.086 4.320 0.001 0.000 0.220 593 A C 1.829 179.283 177.584 -0.218 0.000 1.171 593 A CA 1.441 53.405 52.037 -0.121 0.000 0.640 593 A CB -0.800 17.864 19.000 -0.559 0.000 0.811 593 A HN 0.506 8.656 8.150 -0.000 0.000 0.451 594 H N -1.313 117.715 119.070 -0.071 0.000 2.555 594 H HA 0.262 4.819 4.556 0.001 0.000 0.283 594 H C 1.523 176.836 175.328 -0.026 0.000 1.037 594 H CA 0.543 56.557 56.048 -0.058 0.000 1.169 594 H CB -0.133 29.588 29.762 -0.068 0.000 1.375 594 H HN 0.670 8.950 8.280 -0.000 0.000 0.582 595 G N 0.717 109.556 108.800 0.065 0.000 2.157 595 G HA2 -0.270 3.691 3.960 0.001 0.000 0.239 595 G HA3 -0.270 3.691 3.960 0.001 0.000 0.239 595 G C 0.594 175.530 174.900 0.060 0.000 0.982 595 G CA 0.010 45.147 45.100 0.061 0.000 0.650 595 G HN 0.642 8.932 8.290 -0.000 0.000 0.527 596 A N 0.420 123.269 122.820 0.049 0.000 2.566 596 A HA 0.400 4.721 4.320 0.001 0.000 0.245 596 A C 0.639 178.260 177.584 0.063 0.000 1.056 596 A CA 0.909 52.961 52.037 0.026 0.000 0.757 596 A CB 0.224 19.218 19.000 -0.011 0.000 0.979 596 A HN 0.565 8.715 8.150 -0.000 0.000 0.508 597 D N 2.599 123.072 120.400 0.121 0.000 2.401 597 D HA 0.028 4.669 4.640 0.001 0.000 0.254 597 D C 1.083 177.477 176.300 0.157 0.000 1.192 597 D CA 0.174 54.269 54.000 0.158 0.000 0.885 597 D CB 1.226 42.172 40.800 0.242 0.000 1.147 597 D HN 0.227 8.597 8.370 -0.000 0.000 0.478 598 V N 4.245 124.213 119.914 0.090 0.000 2.759 598 V HA -0.154 3.966 4.120 0.001 0.000 0.256 598 V C 0.912 177.071 176.094 0.108 0.000 1.080 598 V CA 1.595 63.932 62.300 0.061 0.000 1.101 598 V CB -0.437 31.377 31.823 -0.015 0.000 0.698 598 V HN 0.531 8.721 8.190 -0.000 0.000 0.477 599 N N -0.925 117.850 118.700 0.125 0.000 2.380 599 N HA 0.112 4.853 4.740 0.001 0.000 0.255 599 N C -0.511 175.103 175.510 0.175 0.000 1.158 599 N CA -0.442 52.681 53.050 0.121 0.000 0.878 599 N CB 0.103 38.626 38.487 0.060 0.000 1.138 599 N HN 0.634 9.014 8.380 -0.000 0.000 0.509 600 W N 1.813 123.146 121.300 0.056 0.000 2.295 600 W HA 0.059 4.720 4.660 0.001 0.000 0.335 600 W C -0.368 176.178 176.519 0.045 0.000 1.351 600 W CA 0.043 57.419 57.345 0.052 0.000 1.273 600 W CB 0.469 29.975 29.460 0.077 0.000 1.214 600 W HN -0.240 7.940 8.180 -0.000 0.000 0.563 601 V N 7.323 126.890 119.914 -0.578 0.000 2.370 601 V HA 0.002 4.123 4.120 0.001 0.000 0.279 601 V C 0.197 175.605 176.094 -1.143 0.000 1.029 601 V CA -0.934 61.025 62.300 -0.568 0.000 0.870 601 V CB 1.218 32.807 31.823 -0.391 0.000 0.984 601 V HN 0.494 8.684 8.190 -0.000 0.000 0.451 602 N N 4.545 122.741 118.700 -0.839 0.000 2.895 602 N HA 0.194 4.935 4.740 0.001 0.000 0.277 602 N C 0.462 175.643 175.510 -0.549 0.000 1.185 602 N CA 0.114 52.600 53.050 -0.941 0.000 1.106 602 N CB 0.326 38.288 38.487 -0.874 0.000 1.422 602 N HN 0.824 9.204 8.380 -0.000 0.000 0.521 603 G N 0.152 108.610 108.800 -0.570 0.000 2.606 603 G HA2 0.408 4.368 3.960 0.001 0.000 0.252 603 G HA3 0.408 4.368 3.960 0.001 0.000 0.252 603 G C 1.058 175.832 174.900 -0.210 0.000 1.206 603 G CA -0.180 44.721 45.100 -0.331 0.000 0.861 603 G HN 0.790 9.080 8.290 -0.000 0.000 0.561 604 G N -0.653 108.060 108.800 -0.145 0.000 2.451 604 G HA2 -0.343 3.618 3.960 0.001 0.000 0.253 604 G HA3 -0.343 3.618 3.960 0.001 0.000 0.253 604 G C 1.080 175.932 174.900 -0.080 0.000 1.033 604 G CA 1.354 46.397 45.100 -0.096 0.000 0.633 604 G HN 0.734 9.024 8.290 -0.000 0.000 0.537 605 Q N -0.232 119.508 119.800 -0.100 0.000 1.956 605 Q HA 0.231 4.572 4.340 0.001 0.000 0.555 605 Q C 1.788 177.759 176.000 -0.048 0.000 0.966 605 Q CA 1.004 56.768 55.803 -0.066 0.000 0.791 605 Q CB -0.098 28.598 28.738 -0.070 0.000 2.750 605 Q HN 0.540 8.810 8.270 -0.000 0.000 0.344 606 D N -1.335 119.043 120.400 -0.037 0.000 2.398 606 D HA 0.045 4.686 4.640 0.001 0.000 0.210 606 D C -0.247 176.043 176.300 -0.016 0.000 1.094 606 D CA -0.010 53.990 54.000 -0.000 0.000 0.839 606 D CB -0.015 40.819 40.800 0.057 0.000 0.963 606 D HN 0.243 8.613 8.370 -0.000 0.000 0.506 607 N N -0.137 118.514 118.700 -0.081 0.000 2.714 607 N HA -0.169 4.572 4.740 0.001 0.000 0.250 607 N C -0.111 175.374 175.510 -0.041 0.000 1.117 607 N CA 0.857 53.841 53.050 -0.110 0.000 0.719 607 N CB -1.576 36.858 38.487 -0.088 0.000 1.081 607 N HN 0.587 8.967 8.380 -0.000 0.000 0.557 608 A N -0.383 122.461 122.820 0.041 0.000 2.332 608 A HA 0.611 4.932 4.320 0.001 0.000 0.258 608 A C 1.054 178.849 177.584 0.352 0.000 1.087 608 A CA 0.562 52.715 52.037 0.194 0.000 0.802 608 A CB 0.444 19.621 19.000 0.296 0.000 1.042 608 A HN 0.414 8.564 8.150 -0.000 0.000 0.489 609 T N -1.898 112.854 114.554 0.329 0.000 2.949 609 T HA 0.599 4.949 4.350 0.001 0.000 0.287 609 T C -2.324 172.561 174.700 0.308 0.000 1.034 609 T CA -1.723 60.587 62.100 0.350 0.000 1.018 609 T CB 1.390 70.350 68.868 0.153 0.000 1.135 609 T HN 0.241 8.481 8.240 -0.000 0.000 0.532 610 P HA -0.044 4.376 4.420 -0.000 0.000 0.216 610 P C 1.695 178.985 177.300 -0.018 0.000 1.150 610 P CA 0.297 63.426 63.100 0.049 0.000 0.837 610 P CB -0.051 31.724 31.700 0.124 0.000 0.786 611 L N -0.609 120.627 121.223 0.023 0.000 2.042 611 L HA -0.155 4.186 4.340 0.001 0.000 0.210 611 L C 2.210 179.067 176.870 -0.021 0.000 1.076 611 L CA 1.764 56.606 54.840 0.005 0.000 0.749 611 L CB -1.267 40.768 42.059 -0.041 0.000 0.893 611 L HN -0.103 8.127 8.230 -0.000 0.000 0.432 612 I N -1.151 119.382 120.570 -0.062 0.000 2.286 612 I HA -0.282 3.889 4.170 0.001 0.000 0.248 612 I C 2.441 178.463 176.117 -0.158 0.000 1.115 612 I CA 0.826 62.035 61.300 -0.151 0.000 1.392 612 I CB -0.320 37.548 38.000 -0.220 0.000 1.065 612 I HN 0.378 8.588 8.210 -0.000 0.000 0.418 613 Q N 0.441 120.124 119.800 -0.195 0.000 2.124 613 Q HA -0.154 4.187 4.340 0.001 0.000 0.202 613 Q C 2.441 178.374 176.000 -0.111 0.000 0.977 613 Q CA 1.798 57.447 55.803 -0.256 0.000 0.850 613 Q CB -0.316 28.078 28.738 -0.573 0.000 0.901 613 Q HN 0.568 8.838 8.270 -0.000 0.000 0.429 614 A N 0.258 123.048 122.820 -0.051 0.000 1.968 614 A HA -0.105 4.216 4.320 0.001 0.000 0.217 614 A C 2.283 179.909 177.584 0.071 0.000 1.169 614 A CA 1.667 53.718 52.037 0.023 0.000 0.638 614 A CB -0.539 18.500 19.000 0.066 0.000 0.812 614 A HN 0.344 8.494 8.150 -0.000 0.000 0.446 615 T N 0.404 115.028 114.554 0.117 0.000 2.737 615 T HA -0.011 4.339 4.350 0.001 0.000 0.265 615 T C 2.214 177.026 174.700 0.186 0.000 1.038 615 T CA 1.485 63.711 62.100 0.209 0.000 1.144 615 T CB -0.423 68.625 68.868 0.300 0.000 0.866 615 T HN 0.569 8.809 8.240 -0.000 0.000 0.434 616 A N 1.262 124.144 122.820 0.103 0.000 2.019 616 A HA 0.232 4.553 4.320 0.001 0.000 0.219 616 A C 2.419 180.067 177.584 0.107 0.000 1.164 616 A CA 1.542 53.649 52.037 0.117 0.000 0.644 616 A CB -0.746 18.277 19.000 0.038 0.000 0.805 616 A HN 0.505 8.655 8.150 -0.000 0.000 0.449 617 A N -1.098 121.758 122.820 0.060 0.000 2.208 617 A HA 0.188 4.509 4.320 0.001 0.000 0.209 617 A C 1.005 178.574 177.584 -0.024 0.000 1.161 617 A CA 0.800 52.871 52.037 0.056 0.000 0.782 617 A CB -0.503 18.547 19.000 0.084 0.000 0.816 617 A HN 0.646 8.796 8.150 -0.000 0.000 0.477 618 N N -0.705 117.917 118.700 -0.129 0.000 2.727 618 N HA -0.167 4.574 4.740 0.001 0.000 0.249 618 N C -0.351 175.044 175.510 -0.191 0.000 1.048 618 N CA 1.016 53.821 53.050 -0.408 0.000 0.714 618 N CB -1.639 36.472 38.487 -0.627 0.000 0.959 618 N HN 0.281 8.661 8.380 -0.000 0.000 0.544 619 S N 0.456 116.110 115.700 -0.076 0.000 2.488 619 S HA 0.344 4.815 4.470 0.001 0.000 0.310 619 S C 1.177 175.770 174.600 -0.012 0.000 1.093 619 S CA -0.752 57.433 58.200 -0.026 0.000 1.129 619 S CB 0.395 63.604 63.200 0.016 0.000 0.989 619 S HN 0.351 8.661 8.310 -0.000 0.000 0.479 620 L N 5.836 127.036 121.223 -0.039 0.000 2.021 620 L HA -0.093 4.248 4.340 0.001 0.000 0.215 620 L C 1.698 178.582 176.870 0.024 0.000 1.074 620 L CA 1.965 56.788 54.840 -0.028 0.000 0.760 620 L CB -0.728 41.306 42.059 -0.041 0.000 0.889 620 L HN 0.633 8.863 8.230 -0.000 0.000 0.433 621 L N -0.630 120.610 121.223 0.027 0.000 1.994 621 L HA -0.137 4.203 4.340 0.001 0.000 0.208 621 L C 2.665 179.597 176.870 0.104 0.000 1.071 621 L CA 2.141 57.011 54.840 0.049 0.000 0.745 621 L CB -1.666 40.401 42.059 0.012 0.000 0.892 621 L HN 0.334 8.564 8.230 -0.000 0.000 0.431 622 A N -1.763 121.115 122.820 0.096 0.000 1.930 622 A HA -0.212 4.109 4.320 0.001 0.000 0.217 622 A C 2.494 180.188 177.584 0.183 0.000 1.175 622 A CA 1.704 53.833 52.037 0.154 0.000 0.627 622 A CB -1.257 17.803 19.000 0.099 0.000 0.815 622 A HN 0.533 8.683 8.150 -0.000 0.000 0.443 623 C N -1.001 118.390 119.300 0.151 0.000 2.413 623 C HA -0.089 4.372 4.460 0.001 0.000 0.276 623 C C 2.733 177.836 174.990 0.188 0.000 1.236 623 C CA 1.497 60.633 59.018 0.197 0.000 1.735 623 C CB -0.971 26.910 27.740 0.236 0.000 2.031 623 C HN 0.789 9.019 8.230 -0.000 0.000 0.474 624 E N 0.557 120.853 120.200 0.160 0.000 2.058 624 E HA -0.218 4.132 4.350 0.001 0.000 0.194 624 E C 1.835 178.553 176.600 0.197 0.000 0.997 624 E CA 1.459 57.950 56.400 0.152 0.000 0.801 624 E CB -0.628 29.148 29.700 0.127 0.000 0.746 624 E HN 0.528 8.888 8.360 -0.000 0.000 0.450 625 F N 0.710 120.693 119.950 0.055 0.000 2.065 625 F HA -0.175 4.353 4.527 0.001 0.000 0.298 625 F C 1.949 177.778 175.800 0.048 0.000 1.112 625 F CA 1.638 59.669 58.000 0.051 0.000 1.212 625 F CB -0.608 38.421 39.000 0.048 0.000 0.975 625 F HN 0.081 8.381 8.300 -0.000 0.000 0.476 626 L N -0.658 120.569 121.223 0.007 0.000 2.083 626 L HA -0.244 4.096 4.340 0.001 0.000 0.209 626 L C 2.505 179.332 176.870 -0.072 0.000 1.083 626 L CA 1.135 55.919 54.840 -0.093 0.000 0.752 626 L CB -0.757 41.310 42.059 0.013 0.000 0.899 626 L HN 0.180 8.410 8.230 -0.000 0.000 0.433 627 L N -1.037 120.192 121.223 0.010 0.000 2.093 627 L HA -0.177 4.164 4.340 0.001 0.000 0.208 627 L C 2.770 179.628 176.870 -0.020 0.000 1.085 627 L CA 0.811 55.662 54.840 0.018 0.000 0.755 627 L CB -0.478 41.630 42.059 0.081 0.000 0.904 627 L HN 0.289 8.519 8.230 -0.000 0.000 0.435 628 Q N -0.116 119.669 119.800 -0.025 0.000 2.226 628 Q HA -0.120 4.221 4.340 0.001 0.000 0.204 628 Q C 1.195 177.128 176.000 -0.111 0.000 0.975 628 Q CA 1.066 56.845 55.803 -0.041 0.000 0.866 628 Q CB -0.308 28.439 28.738 0.015 0.000 0.915 628 Q HN 0.546 8.816 8.270 -0.000 0.000 0.440 629 N N -0.746 117.839 118.700 -0.193 0.000 2.295 629 N HA 0.112 4.853 4.740 0.001 0.000 0.221 629 N C 0.402 175.816 175.510 -0.160 0.000 1.129 629 N CA 0.687 53.594 53.050 -0.239 0.000 0.836 629 N CB 1.212 39.455 38.487 -0.407 0.000 1.040 629 N HN 0.343 8.723 8.380 -0.000 0.000 0.494 630 G N 0.368 109.109 108.800 -0.098 0.000 2.159 630 G HA2 -0.254 3.706 3.960 0.001 0.000 0.227 630 G HA3 -0.254 3.706 3.960 0.001 0.000 0.227 630 G C 0.301 175.183 174.900 -0.031 0.000 0.986 630 G CA -0.031 45.037 45.100 -0.053 0.000 0.651 630 G HN 0.524 8.814 8.290 -0.000 0.000 0.523 631 A N 0.113 122.913 122.820 -0.035 0.000 2.540 631 A HA 0.442 4.763 4.320 0.001 0.000 0.239 631 A C 0.673 178.247 177.584 -0.017 0.000 1.061 631 A CA 0.727 52.754 52.037 -0.017 0.000 0.758 631 A CB 0.187 19.179 19.000 -0.013 0.000 0.991 631 A HN 0.859 9.009 8.150 -0.000 0.000 0.502 632 N N 2.690 121.380 118.700 -0.017 0.000 2.401 632 N HA 0.057 4.797 4.740 0.001 0.000 0.255 632 N C 0.670 176.148 175.510 -0.054 0.000 1.110 632 N CA 0.013 53.049 53.050 -0.023 0.000 0.949 632 N CB 1.176 39.655 38.487 -0.014 0.000 1.110 632 N HN 0.366 8.746 8.380 -0.000 0.000 0.490 633 V N 3.966 123.842 119.914 -0.063 0.000 3.078 633 V HA -0.097 4.024 4.120 0.001 0.000 0.265 633 V C 1.000 177.009 176.094 -0.142 0.000 1.122 633 V CA 1.707 63.926 62.300 -0.135 0.000 1.141 633 V CB -0.621 31.166 31.823 -0.061 0.000 0.735 633 V HN 0.693 8.883 8.190 -0.000 0.000 0.498 634 N N -1.014 117.645 118.700 -0.067 0.000 2.254 634 N HA 0.103 4.843 4.740 0.001 0.000 0.190 634 N C 0.679 176.181 175.510 -0.014 0.000 1.107 634 N CA -0.188 52.843 53.050 -0.033 0.000 0.869 634 N CB 0.282 38.764 38.487 -0.009 0.000 0.983 634 N HN 0.510 8.890 8.380 -0.000 0.000 0.487 635 Q N 1.786 121.571 119.800 -0.024 0.000 2.271 635 Q HA 0.293 4.634 4.340 0.001 0.000 0.273 635 Q C -0.712 175.295 176.000 0.012 0.000 1.051 635 Q CA -0.396 55.403 55.803 -0.006 0.000 0.901 635 Q CB 0.620 29.355 28.738 -0.006 0.000 1.174 635 Q HN 0.191 8.461 8.270 -0.000 0.000 0.385 636 A N 4.121 126.953 122.820 0.021 0.000 2.279 636 A HA 0.344 4.664 4.320 0.001 0.000 0.303 636 A C -0.382 177.224 177.584 0.037 0.000 1.108 636 A CA -0.610 51.451 52.037 0.040 0.000 0.830 636 A CB 0.605 19.613 19.000 0.012 0.000 1.106 636 A HN 0.950 9.100 8.150 -0.000 0.000 0.493 637 D N 0.221 120.666 120.400 0.074 0.000 2.398 637 D HA 0.164 4.805 4.640 0.001 0.000 0.264 637 D C 1.011 177.319 176.300 0.013 0.000 1.263 637 D CA 0.312 54.348 54.000 0.061 0.000 1.037 637 D CB -0.177 40.705 40.800 0.136 0.000 1.101 637 D HN 0.180 8.550 8.370 -0.000 0.000 0.551 638 S N -1.403 114.298 115.700 0.003 0.000 2.419 638 S HA -0.051 4.420 4.470 0.001 0.000 0.233 638 S C 1.573 176.158 174.600 -0.026 0.000 1.016 638 S CA 1.013 59.202 58.200 -0.019 0.000 0.974 638 S CB -0.477 62.711 63.200 -0.021 0.000 0.786 638 S HN 0.632 8.942 8.310 -0.000 0.000 0.492 639 A N 0.054 122.860 122.820 -0.024 0.000 2.415 639 A HA 0.553 4.874 4.320 0.001 0.000 0.248 639 A C 1.416 178.939 177.584 -0.103 0.000 1.299 639 A CA 0.428 52.433 52.037 -0.053 0.000 0.899 639 A CB -0.766 18.206 19.000 -0.047 0.000 0.997 639 A HN 0.704 8.854 8.150 -0.000 0.000 0.506 640 G N -0.012 108.733 108.800 -0.091 0.000 2.168 640 G HA2 -0.293 3.668 3.960 0.001 0.000 0.257 640 G HA3 -0.293 3.668 3.960 0.001 0.000 0.257 640 G C 0.211 174.959 174.900 -0.254 0.000 0.997 640 G CA 0.401 45.422 45.100 -0.133 0.000 0.708 640 G HN 0.653 8.943 8.290 -0.000 0.000 0.520 641 R N 0.573 120.947 120.500 -0.210 0.000 2.198 641 R HA 0.520 4.861 4.340 0.001 0.000 0.339 641 R C 1.069 177.404 176.300 0.059 0.000 1.020 641 R CA 0.109 56.029 56.100 -0.300 0.000 0.864 641 R CB 1.153 31.211 30.300 -0.403 0.000 1.105 641 R HN 0.251 8.521 8.270 -0.000 0.000 0.463 642 G N 2.841 111.780 108.800 0.231 0.000 2.588 642 G HA2 0.165 4.126 3.960 0.001 0.000 0.281 642 G HA3 0.165 4.126 3.960 0.001 0.000 0.281 642 G C -1.689 173.363 174.900 0.253 0.000 1.236 642 G CA -1.354 43.881 45.100 0.225 0.000 0.969 642 G HN 0.272 8.562 8.290 -0.000 0.000 0.504 643 P HA -0.095 4.325 4.420 -0.000 0.000 0.216 643 P C 2.067 179.410 177.300 0.072 0.000 1.150 643 P CA 0.301 63.321 63.100 -0.133 0.000 0.837 643 P CB 0.154 31.345 31.700 -0.849 0.000 0.786 644 L N -0.969 120.284 121.223 0.050 0.000 2.027 644 L HA -0.171 4.170 4.340 0.001 0.000 0.206 644 L C 2.153 179.071 176.870 0.079 0.000 1.074 644 L CA 2.044 56.989 54.840 0.176 0.000 0.745 644 L CB -1.545 40.536 42.059 0.037 0.000 0.898 644 L HN 0.028 8.258 8.230 -0.000 0.000 0.433 645 H N -1.456 117.646 119.070 0.052 0.000 2.319 645 H HA -0.177 4.380 4.556 0.001 0.000 0.297 645 H C 2.194 177.487 175.328 -0.057 0.000 1.097 645 H CA 2.193 58.216 56.048 -0.041 0.000 1.285 645 H CB -0.182 29.495 29.762 -0.141 0.000 1.368 645 H HN 0.474 8.754 8.280 -0.000 0.000 0.495 646 H N -0.485 118.704 119.070 0.197 0.000 2.357 646 H HA 0.023 4.580 4.556 0.001 0.000 0.301 646 H C 2.436 177.856 175.328 0.153 0.000 1.082 646 H CA 0.980 57.119 56.048 0.153 0.000 1.342 646 H CB -0.302 29.547 29.762 0.144 0.000 1.389 646 H HN 0.462 8.742 8.280 -0.000 0.000 0.511 647 A N 0.384 123.411 122.820 0.344 0.000 1.908 647 A HA -0.200 4.121 4.320 0.001 0.000 0.218 647 A C 2.655 180.305 177.584 0.111 0.000 1.181 647 A CA 2.335 54.539 52.037 0.279 0.000 0.627 647 A CB -0.919 18.273 19.000 0.321 0.000 0.818 647 A HN 0.456 8.605 8.150 -0.000 0.000 0.445 648 T N -1.070 113.537 114.554 0.088 0.000 2.896 648 T HA -0.024 4.327 4.350 0.001 0.000 0.263 648 T C 1.790 176.488 174.700 -0.004 0.000 1.050 648 T CA 1.230 63.345 62.100 0.025 0.000 1.140 648 T CB -0.470 68.405 68.868 0.012 0.000 0.877 648 T HN 0.334 8.574 8.240 -0.000 0.000 0.457 649 I N 0.795 121.369 120.570 0.006 0.000 2.151 649 I HA -0.147 4.024 4.170 0.001 0.000 0.243 649 I C 2.042 178.123 176.117 -0.060 0.000 1.080 649 I CA 1.462 62.752 61.300 -0.016 0.000 1.339 649 I CB -0.181 37.813 38.000 -0.009 0.000 1.039 649 I HN 0.283 8.493 8.210 -0.000 0.000 0.409 650 L N -0.031 121.122 121.223 -0.118 0.000 2.591 650 L HA 0.210 4.551 4.340 0.001 0.000 0.228 650 L C 1.366 177.972 176.870 -0.440 0.000 1.133 650 L CA 0.414 55.067 54.840 -0.311 0.000 0.880 650 L CB -0.289 41.492 42.059 -0.464 0.000 1.033 650 L HN 0.475 8.705 8.230 -0.000 0.000 0.450 651 G N 0.298 108.956 108.800 -0.237 0.000 2.198 651 G HA2 -0.303 3.658 3.960 0.001 0.000 0.257 651 G HA3 -0.303 3.658 3.960 0.001 0.000 0.257 651 G C -0.066 174.791 174.900 -0.072 0.000 1.042 651 G CA -0.129 44.893 45.100 -0.129 0.000 0.791 651 G HN 0.610 8.900 8.290 -0.000 0.000 0.502 652 H N 0.459 119.538 119.070 0.016 0.000 2.821 652 H HA 0.366 4.923 4.556 0.001 0.000 0.262 652 H C 1.738 177.048 175.328 -0.031 0.000 1.402 652 H CA 0.009 56.054 56.048 -0.005 0.000 1.293 652 H CB 0.746 30.511 29.762 0.005 0.000 1.533 652 H HN 0.218 8.498 8.280 -0.000 0.000 0.528 653 T N 1.760 116.363 114.554 0.081 0.000 2.708 653 T HA -0.184 4.167 4.350 0.001 0.000 0.266 653 T C 2.505 177.192 174.700 -0.022 0.000 1.037 653 T CA 1.433 63.545 62.100 0.020 0.000 1.146 653 T CB -0.337 68.539 68.868 0.014 0.000 0.865 653 T HN 0.840 9.080 8.240 -0.000 0.000 0.435 654 G N 1.633 110.415 108.800 -0.031 0.000 2.476 654 G HA2 -0.195 3.766 3.960 0.001 0.000 0.218 654 G HA3 -0.195 3.766 3.960 0.001 0.000 0.218 654 G C 1.495 176.293 174.900 -0.170 0.000 1.164 654 G CA 0.726 45.778 45.100 -0.080 0.000 0.768 654 G HN 0.448 8.738 8.290 -0.000 0.000 0.560 655 L N 0.536 121.632 121.223 -0.212 0.000 2.093 655 L HA -0.052 4.289 4.340 0.001 0.000 0.208 655 L C 3.455 179.916 176.870 -0.681 0.000 1.085 655 L CA 0.976 55.512 54.840 -0.506 0.000 0.755 655 L CB -0.607 41.234 42.059 -0.363 0.000 0.904 655 L HN 0.337 8.567 8.230 -0.000 0.000 0.435 656 A N -0.530 122.140 122.820 -0.250 0.000 1.883 656 A HA -0.308 4.013 4.320 0.001 0.000 0.217 656 A C 2.520 180.041 177.584 -0.104 0.000 1.186 656 A CA 2.044 54.027 52.037 -0.091 0.000 0.624 656 A CB -1.299 17.702 19.000 0.002 0.000 0.822 656 A HN 0.594 8.744 8.150 -0.000 0.000 0.444 657 C N -0.996 118.233 119.300 -0.118 0.000 2.446 657 C HA -0.013 4.448 4.460 0.001 0.000 0.277 657 C C 2.503 177.439 174.990 -0.090 0.000 1.275 657 C CA 1.096 60.070 59.018 -0.074 0.000 1.727 657 C CB -1.508 26.198 27.740 -0.057 0.000 2.010 657 C HN 0.619 8.849 8.230 -0.000 0.000 0.486 658 L N 0.735 121.842 121.223 -0.193 0.000 1.990 658 L HA -0.067 4.273 4.340 0.001 0.000 0.213 658 L C 2.126 178.973 176.870 -0.038 0.000 1.072 658 L CA 2.440 57.174 54.840 -0.176 0.000 0.755 658 L CB -1.157 40.717 42.059 -0.309 0.000 0.889 658 L HN 0.315 8.545 8.230 -0.000 0.000 0.432 659 F N -0.678 119.285 119.950 0.022 0.000 2.186 659 F HA -0.105 4.423 4.527 0.001 0.000 0.299 659 F C 2.292 178.098 175.800 0.009 0.000 1.090 659 F CA 0.924 58.936 58.000 0.020 0.000 1.307 659 F CB -1.239 37.777 39.000 0.027 0.000 1.019 659 F HN 0.056 8.356 8.300 -0.000 0.000 0.489 660 L N -0.116 121.201 121.223 0.157 0.000 2.056 660 L HA -0.205 4.135 4.340 0.001 0.000 0.207 660 L C 2.317 179.224 176.870 0.062 0.000 1.078 660 L CA 1.387 56.279 54.840 0.086 0.000 0.749 660 L CB -0.644 41.443 42.059 0.047 0.000 0.901 660 L HN 0.034 8.264 8.230 -0.000 0.000 0.433 661 K N -0.287 120.142 120.400 0.049 0.000 2.209 661 K HA -0.091 4.230 4.320 0.001 0.000 0.204 661 K C 1.368 177.995 176.600 0.046 0.000 1.048 661 K CA 0.871 57.178 56.287 0.034 0.000 0.940 661 K CB 0.035 32.546 32.500 0.018 0.000 0.729 661 K HN 0.170 8.420 8.250 -0.000 0.000 0.451 662 R N -0.157 120.391 120.500 0.079 0.000 2.515 662 R HA 0.111 4.452 4.340 0.001 0.000 0.294 662 R C 0.355 176.694 176.300 0.064 0.000 1.021 662 R CA 0.478 56.623 56.100 0.075 0.000 1.081 662 R CB 0.795 31.161 30.300 0.110 0.000 1.263 662 R HN 0.369 8.639 8.270 -0.000 0.000 0.557 663 G N 1.077 109.910 108.800 0.056 0.000 2.149 663 G HA2 -0.304 3.656 3.960 0.001 0.000 0.235 663 G HA3 -0.304 3.656 3.960 0.001 0.000 0.235 663 G C 0.298 175.220 174.900 0.037 0.000 1.018 663 G CA 0.120 45.243 45.100 0.038 0.000 0.728 663 G HN 0.525 8.815 8.290 -0.000 0.000 0.508 664 A N -0.007 122.849 122.820 0.059 0.000 2.511 664 A HA 0.446 4.767 4.320 0.001 0.000 0.242 664 A C 0.652 178.249 177.584 0.022 0.000 1.069 664 A CA 0.655 52.716 52.037 0.041 0.000 0.763 664 A CB 0.347 19.396 19.000 0.083 0.000 1.001 664 A HN 0.586 8.736 8.150 -0.000 0.000 0.498 665 D N 2.369 122.774 120.400 0.008 0.000 2.346 665 D HA 0.109 4.750 4.640 0.001 0.000 0.260 665 D C 1.024 177.317 176.300 -0.011 0.000 1.252 665 D CA 0.106 54.110 54.000 0.006 0.000 0.895 665 D CB 0.281 41.089 40.800 0.013 0.000 1.097 665 D HN 0.467 8.837 8.370 -0.000 0.000 0.489 666 L N 3.216 124.434 121.223 -0.009 0.000 2.079 666 L HA -0.069 4.271 4.340 0.001 0.000 0.210 666 L C 2.149 179.004 176.870 -0.026 0.000 1.081 666 L CA 1.507 56.334 54.840 -0.022 0.000 0.752 666 L CB -0.016 42.037 42.059 -0.009 0.000 0.896 666 L HN 0.569 8.799 8.230 -0.000 0.000 0.433 667 G N -1.079 107.718 108.800 -0.004 0.000 3.141 667 G HA2 0.264 4.225 3.960 0.001 0.000 0.218 667 G HA3 0.264 4.225 3.960 0.001 0.000 0.218 667 G C 0.515 175.435 174.900 0.032 0.000 1.170 667 G CA 0.289 45.394 45.100 0.009 0.000 0.769 667 G HN 0.339 8.629 8.290 -0.000 0.000 0.546 668 A N 0.875 123.723 122.820 0.046 0.000 2.450 668 A HA 0.581 4.902 4.320 0.001 0.000 0.255 668 A C 0.447 178.153 177.584 0.203 0.000 1.096 668 A CA -0.213 51.891 52.037 0.112 0.000 0.778 668 A CB 0.328 19.417 19.000 0.147 0.000 1.031 668 A HN 0.337 8.487 8.150 -0.000 0.000 0.494 669 R N 1.955 122.533 120.500 0.130 0.000 2.393 669 R HA 0.299 4.640 4.340 0.001 0.000 0.310 669 R C -0.645 175.647 176.300 -0.014 0.000 0.968 669 R CA -0.708 55.451 56.100 0.098 0.000 0.867 669 R CB 1.353 31.681 30.300 0.045 0.000 1.124 669 R HN 0.938 9.208 8.270 -0.000 0.000 0.450 670 D N 0.883 121.203 120.400 -0.133 0.000 2.398 670 D HA -0.060 4.580 4.640 0.001 0.000 0.264 670 D C 0.952 177.176 176.300 -0.127 0.000 1.263 670 D CA -0.431 53.411 54.000 -0.264 0.000 1.037 670 D CB 0.240 40.761 40.800 -0.465 0.000 1.101 670 D HN 0.363 8.733 8.370 -0.000 0.000 0.551 671 S N -1.838 113.791 115.700 -0.120 0.000 2.507 671 S HA -0.112 4.359 4.470 0.001 0.000 0.235 671 S C 0.971 175.538 174.600 -0.054 0.000 0.988 671 S CA 0.513 58.670 58.200 -0.071 0.000 0.944 671 S CB -0.576 62.587 63.200 -0.062 0.000 0.762 671 S HN 0.569 8.879 8.310 -0.000 0.000 0.526 672 E N 0.593 120.757 120.200 -0.060 0.000 2.476 672 E HA 0.330 4.681 4.350 0.001 0.000 0.196 672 E C 1.020 177.606 176.600 -0.024 0.000 1.029 672 E CA 0.069 56.447 56.400 -0.038 0.000 0.896 672 E CB 0.133 29.811 29.700 -0.037 0.000 1.012 672 E HN 0.634 8.994 8.360 -0.000 0.000 0.475 673 G N 2.383 111.168 108.800 -0.025 0.000 2.153 673 G HA2 -0.345 3.616 3.960 0.001 0.000 0.252 673 G HA3 -0.345 3.616 3.960 0.001 0.000 0.252 673 G C 0.055 174.963 174.900 0.013 0.000 0.994 673 G CA 0.043 45.140 45.100 -0.006 0.000 0.698 673 G HN 0.179 8.469 8.290 -0.000 0.000 0.521 674 R N 0.953 121.464 120.500 0.018 0.000 2.312 674 R HA 0.510 4.851 4.340 0.001 0.000 0.311 674 R C 0.018 176.410 176.300 0.154 0.000 1.004 674 R CA -0.268 55.867 56.100 0.059 0.000 0.902 674 R CB 0.915 31.246 30.300 0.051 0.000 1.073 674 R HN 0.464 8.734 8.270 -0.000 0.000 0.457 675 D N 2.955 123.428 120.400 0.122 0.000 2.432 675 D HA 0.187 4.828 4.640 0.001 0.000 0.258 675 D C -1.975 174.337 176.300 0.020 0.000 1.146 675 D CA -2.375 51.696 54.000 0.118 0.000 1.015 675 D CB 0.416 41.242 40.800 0.043 0.000 1.107 675 D HN 0.065 8.435 8.370 -0.000 0.000 0.529 676 P HA -0.059 4.361 4.420 -0.000 0.000 0.218 676 P C 1.548 178.820 177.300 -0.048 0.000 1.149 676 P CA 0.470 63.479 63.100 -0.152 0.000 0.817 676 P CB 0.074 31.637 31.700 -0.229 0.000 0.785 677 L N -0.503 120.701 121.223 -0.032 0.000 2.042 677 L HA -0.155 4.186 4.340 0.001 0.000 0.210 677 L C 1.920 178.789 176.870 -0.002 0.000 1.076 677 L CA 2.225 57.057 54.840 -0.013 0.000 0.749 677 L CB -1.659 40.395 42.059 -0.009 0.000 0.893 677 L HN -0.039 8.191 8.230 -0.000 0.000 0.432 678 T N -0.146 114.413 114.554 0.007 0.000 2.746 678 T HA -0.169 4.181 4.350 0.001 0.000 0.267 678 T C 1.963 176.671 174.700 0.013 0.000 1.039 678 T CA 2.040 64.147 62.100 0.013 0.000 1.142 678 T CB -0.388 68.493 68.868 0.021 0.000 0.866 678 T HN 0.349 8.589 8.240 -0.000 0.000 0.444 679 I N 1.388 121.970 120.570 0.020 0.000 2.315 679 I HA -0.145 4.026 4.170 0.001 0.000 0.248 679 I C 2.928 179.047 176.117 0.004 0.000 1.117 679 I CA 0.987 62.297 61.300 0.017 0.000 1.404 679 I CB -0.494 37.526 38.000 0.033 0.000 1.071 679 I HN 0.193 8.403 8.210 -0.000 0.000 0.419 680 A N 0.689 123.508 122.820 -0.000 0.000 1.902 680 A HA -0.197 4.124 4.320 0.001 0.000 0.217 680 A C 2.395 179.978 177.584 -0.003 0.000 1.181 680 A CA 1.424 53.459 52.037 -0.004 0.000 0.623 680 A CB -0.436 18.561 19.000 -0.006 0.000 0.818 680 A HN 0.250 8.400 8.150 -0.000 0.000 0.443 681 M N -0.492 119.107 119.600 -0.001 0.000 2.086 681 M HA -0.136 4.345 4.480 0.001 0.000 0.261 681 M C 1.958 178.258 176.300 -0.001 0.000 1.067 681 M CA 1.644 56.944 55.300 -0.001 0.000 1.116 681 M CB -1.306 31.294 32.600 0.000 0.000 1.348 681 M HN 0.537 8.827 8.290 -0.000 0.000 0.407 682 E N -0.495 119.705 120.200 0.000 0.000 2.204 682 E HA -0.137 4.213 4.350 0.001 0.000 0.194 682 E C 1.599 178.197 176.600 -0.003 0.000 0.989 682 E CA 1.659 58.059 56.400 -0.001 0.000 0.824 682 E CB -0.084 29.617 29.700 0.001 0.000 0.756 682 E HN 0.596 8.956 8.360 -0.000 0.000 0.477 683 T N -2.269 112.282 114.554 -0.005 0.000 3.129 683 T HA 0.398 4.749 4.350 0.001 0.000 0.251 683 T C 0.963 175.659 174.700 -0.008 0.000 1.117 683 T CA 0.232 62.327 62.100 -0.008 0.000 1.034 683 T CB 0.275 69.135 68.868 -0.013 0.000 0.968 683 T HN 0.155 8.395 8.240 -0.000 0.000 0.526 684 A N 1.427 124.244 122.820 -0.005 0.000 2.687 684 A HA -0.174 4.147 4.320 0.001 0.000 0.299 684 A C 0.352 177.933 177.584 -0.005 0.000 1.497 684 A CA 0.597 52.631 52.037 -0.004 0.000 0.751 684 A CB -2.534 16.463 19.000 -0.004 0.000 1.048 684 A HN 0.605 8.755 8.150 -0.000 0.000 0.464 685 N N -0.086 118.611 118.700 -0.005 0.000 2.817 685 N HA 0.569 5.310 4.740 0.001 0.000 0.234 685 N C 1.097 176.605 175.510 -0.003 0.000 1.066 685 N CA 0.476 53.522 53.050 -0.005 0.000 0.926 685 N CB 0.738 39.220 38.487 -0.008 0.000 1.176 685 N HN 0.647 9.027 8.380 -0.000 0.000 0.506 686 A N 2.744 125.563 122.820 -0.002 0.000 1.940 686 A HA -0.169 4.152 4.320 0.001 0.000 0.219 686 A C 1.567 179.150 177.584 -0.001 0.000 1.176 686 A CA 1.485 53.521 52.037 -0.001 0.000 0.631 686 A CB -0.125 18.875 19.000 -0.001 0.000 0.814 686 A HN 0.561 8.711 8.150 -0.000 0.000 0.446 687 D N 0.087 120.487 120.400 -0.001 0.000 2.097 687 D HA -0.121 4.520 4.640 0.001 0.000 0.195 687 D C 1.868 178.167 176.300 -0.001 0.000 0.989 687 D CA 1.344 55.344 54.000 -0.000 0.000 0.827 687 D CB -0.360 40.440 40.800 0.001 0.000 0.966 687 D HN 0.545 8.915 8.370 -0.000 0.000 0.456 688 I N 0.356 120.925 120.570 -0.001 0.000 2.353 688 I HA -0.176 3.994 4.170 0.001 0.000 0.248 688 I C 2.390 178.506 176.117 -0.003 0.000 1.119 688 I CA 0.358 61.657 61.300 -0.001 0.000 1.417 688 I CB -0.174 37.826 38.000 0.000 0.000 1.078 688 I HN -0.124 8.086 8.210 -0.000 0.000 0.421 689 V N 0.989 120.901 119.914 -0.003 0.000 2.282 689 V HA -0.337 3.784 4.120 0.001 0.000 0.249 689 V C 2.569 178.662 176.094 -0.003 0.000 1.057 689 V CA 2.669 64.967 62.300 -0.003 0.000 1.032 689 V CB -1.039 30.782 31.823 -0.003 0.000 0.645 689 V HN 0.478 8.668 8.190 -0.000 0.000 0.447 690 T N 0.198 114.751 114.554 -0.002 0.000 2.652 690 T HA -0.191 4.160 4.350 0.001 0.000 0.267 690 T C 1.893 176.592 174.700 -0.002 0.000 1.039 690 T CA 1.753 63.852 62.100 -0.001 0.000 1.153 690 T CB -0.363 68.505 68.868 -0.001 0.000 0.863 690 T HN 0.274 8.514 8.240 -0.000 0.000 0.428 691 L N 0.298 121.520 121.223 -0.002 0.000 1.990 691 L HA -0.156 4.185 4.340 0.001 0.000 0.213 691 L C 2.564 179.434 176.870 -0.001 0.000 1.072 691 L CA 1.557 56.396 54.840 -0.002 0.000 0.755 691 L CB -0.579 41.478 42.059 -0.002 0.000 0.889 691 L HN 0.295 8.525 8.230 -0.000 0.000 0.432 692 L N -1.123 120.098 121.223 -0.002 0.000 2.093 692 L HA -0.200 4.141 4.340 0.001 0.000 0.208 692 L C 2.739 179.607 176.870 -0.003 0.000 1.085 692 L CA 0.849 55.687 54.840 -0.004 0.000 0.755 692 L CB -0.395 41.658 42.059 -0.010 0.000 0.904 692 L HN 0.187 8.417 8.230 -0.000 0.000 0.435 693 R N 0.401 120.900 120.500 -0.003 0.000 2.075 693 R HA -0.092 4.248 4.340 0.001 0.000 0.232 693 R C 2.199 178.499 176.300 -0.000 0.000 1.126 693 R CA 1.351 57.450 56.100 -0.002 0.000 0.963 693 R CB -0.418 29.882 30.300 -0.001 0.000 0.858 693 R HN 0.222 8.492 8.270 -0.000 0.000 0.435 694 L N -0.510 120.713 121.223 -0.000 0.000 2.046 694 L HA -0.108 4.233 4.340 0.001 0.000 0.208 694 L C 2.372 179.243 176.870 0.002 0.000 1.077 694 L CA 1.342 56.183 54.840 0.001 0.000 0.747 694 L CB -0.586 41.473 42.059 0.000 0.000 0.896 694 L HN 0.318 8.548 8.230 -0.000 0.000 0.432 695 A N -0.046 122.776 122.820 0.002 0.000 1.972 695 A HA -0.264 4.057 4.320 0.001 0.000 0.219 695 A C 2.262 179.848 177.584 0.003 0.000 1.169 695 A CA 1.959 53.999 52.037 0.004 0.000 0.635 695 A CB -0.359 18.645 19.000 0.006 0.000 0.810 695 A HN 0.228 8.378 8.150 -0.000 0.000 0.446 696 K N -0.599 119.802 120.400 0.002 0.000 2.148 696 K HA 0.017 4.337 4.320 0.001 0.000 0.204 696 K C 1.200 177.802 176.600 0.002 0.000 1.050 696 K CA 0.776 57.064 56.287 0.001 0.000 0.942 696 K CB -0.300 32.200 32.500 0.000 0.000 0.724 696 K HN 0.621 8.871 8.250 -0.000 0.000 0.446 697 M N 0.000 119.601 119.600 0.002 0.000 2.572 697 M HA 0.000 4.481 4.480 0.001 0.000 0.227 697 M CA 0.000 55.301 55.300 0.002 0.000 0.988 697 M CB 0.000 32.601 32.600 0.002 0.000 1.302 697 M HN 0.000 8.290 8.290 -0.000 0.000 0.411