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 3crb_1_A DATA FIRST_RESID 342 DATA SEQUENCE YTRVVWcAVG PEEQKKcQQW SQQSGQNVTc ATASTTDDcI VLVLKGEADA DATA SEQUENCE LNLDGGYIYT AGKcGLVPVL AENRKSSKHS SLDcVLRPTE GYLAVAVVKK DATA SEQUENCE ANEGLTWNSL KDKKScHTAV DRTAGWNIPM GLIVNQTGSc AFDEFFSQSc DATA SEQUENCE APGADPKSRL cALcAGDDQG LDKcVPNSKE KYYGYTGAFR cLAEDVGDVA DATA SEQUENCE FVKNDTVWEN TNGESTADWA KNLKREDFRL LcLDGTRKPV TEAQScHLAV DATA SEQUENCE APNHAVVSRS DRAAHVEQVL LHQQALFGKN GKNcPDKFcL FKSETKNLLF DATA SEQUENCE NDNTEcLAKL GGRPTYEEYL GTEYVTAIAN LKKcSXXXXL EAcAF 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 342 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 342 Y C 0.000 175.941 175.900 0.068 0.000 1.272 342 Y CA 0.000 58.090 58.100 -0.016 0.000 1.940 342 Y CB 0.000 38.457 38.460 -0.005 0.000 1.050 343 T N 2.533 117.327 114.554 0.399 0.000 3.366 343 T HA 0.171 4.554 4.350 0.056 0.000 0.249 343 T C -0.019 174.875 174.700 0.325 0.000 1.028 343 T CA 0.012 62.465 62.100 0.589 0.000 0.938 343 T CB -0.622 68.444 68.868 0.331 0.000 1.046 343 T HN 0.161 8.401 8.240 -0.000 0.000 0.587 344 R N 0.674 121.349 120.500 0.292 0.000 2.346 344 R HA 0.589 4.963 4.340 0.056 0.000 0.311 344 R C -1.363 175.026 176.300 0.149 0.000 0.983 344 R CA -0.467 55.714 56.100 0.136 0.000 0.880 344 R CB 1.134 31.463 30.300 0.049 0.000 1.100 344 R HN 0.107 8.377 8.270 -0.000 0.000 0.453 345 V N 5.149 125.106 119.914 0.072 0.000 2.513 345 V HA 0.346 4.500 4.120 0.056 0.000 0.299 345 V C -0.522 175.590 176.094 0.030 0.000 1.035 345 V CA -0.768 61.584 62.300 0.087 0.000 0.889 345 V CB 2.022 33.920 31.823 0.125 0.000 0.988 345 V HN 0.554 8.744 8.190 -0.000 0.000 0.440 346 V N 4.240 124.177 119.914 0.040 0.000 2.328 346 V HA 0.315 4.468 4.120 0.056 0.000 0.278 346 V C -0.269 175.860 176.094 0.059 0.000 1.021 346 V CA -0.586 61.724 62.300 0.016 0.000 0.838 346 V CB 1.305 33.112 31.823 -0.026 0.000 0.999 346 V HN 0.844 9.034 8.190 -0.000 0.000 0.447 347 W N 4.834 126.069 121.300 -0.110 0.000 2.313 347 W HA 0.410 5.103 4.660 0.055 0.000 0.328 347 W C -0.322 176.178 176.519 -0.033 0.000 1.197 347 W CA -0.562 56.755 57.345 -0.047 0.000 1.235 347 W CB 1.748 31.188 29.460 -0.033 0.000 1.158 347 W HN 0.561 8.741 8.180 -0.000 0.000 0.578 348 c N 5.520 123.929 118.600 -0.318 0.000 2.255 348 c HA 0.720 5.323 4.570 0.056 0.000 0.326 348 c C 0.336 174.416 174.090 -0.015 0.000 1.258 348 c CA -0.283 55.955 56.329 -0.151 0.000 1.676 348 c CB -0.824 41.544 42.510 -0.237 0.000 2.314 348 c HN 0.573 8.803 8.230 -0.000 0.000 0.509 349 A N 5.040 127.909 122.820 0.082 0.000 2.312 349 A HA 0.699 5.052 4.320 0.056 0.000 0.326 349 A C -0.594 176.999 177.584 0.015 0.000 1.172 349 A CA -0.338 51.769 52.037 0.117 0.000 0.821 349 A CB 0.819 19.906 19.000 0.145 0.000 1.166 349 A HN 0.790 8.940 8.150 -0.000 0.000 0.493 350 V N 2.631 122.547 119.914 0.003 0.000 2.304 350 V HA 0.618 4.771 4.120 0.056 0.000 0.269 350 V C 0.831 176.890 176.094 -0.058 0.000 1.036 350 V CA 0.870 63.137 62.300 -0.056 0.000 0.840 350 V CB -0.320 31.452 31.823 -0.085 0.000 1.036 350 V HN 1.946 10.136 8.190 -0.000 0.000 0.466 351 G N 7.186 115.948 108.800 -0.063 0.000 2.746 351 G HA2 -0.096 3.898 3.960 0.056 0.000 0.685 351 G HA3 -0.096 3.898 3.960 0.056 0.000 0.685 351 G C -1.896 172.990 174.900 -0.023 0.000 1.350 351 G CA -0.345 44.718 45.100 -0.061 0.000 0.837 351 G HN 0.521 8.811 8.290 -0.000 0.000 0.564 352 P HA -0.024 4.396 4.420 -0.000 0.000 0.216 352 P C 1.439 178.749 177.300 0.017 0.000 1.150 352 P CA 1.914 65.013 63.100 -0.003 0.000 0.837 352 P CB 0.084 31.778 31.700 -0.009 0.000 0.786 353 E N -0.382 119.832 120.200 0.023 0.000 2.158 353 E HA -0.114 4.270 4.350 0.056 0.000 0.191 353 E C 1.916 178.557 176.600 0.068 0.000 0.982 353 E CA 0.679 57.107 56.400 0.046 0.000 0.823 353 E CB -0.230 29.503 29.700 0.054 0.000 0.766 353 E HN 0.433 8.793 8.360 -0.000 0.000 0.468 354 E N 0.826 121.068 120.200 0.070 0.000 2.216 354 E HA -0.166 4.218 4.350 0.056 0.000 0.192 354 E C 2.088 178.753 176.600 0.108 0.000 0.988 354 E CA 0.372 56.835 56.400 0.104 0.000 0.834 354 E CB 0.064 29.829 29.700 0.108 0.000 0.772 354 E HN 0.221 8.581 8.360 -0.000 0.000 0.479 355 Q N 1.638 121.481 119.800 0.072 0.000 2.050 355 Q HA -0.252 4.121 4.340 0.056 0.000 0.202 355 Q C 2.144 178.179 176.000 0.058 0.000 0.980 355 Q CA 1.920 57.760 55.803 0.061 0.000 0.840 355 Q CB 0.018 28.774 28.738 0.029 0.000 0.898 355 Q HN -0.024 8.246 8.270 -0.000 0.000 0.424 356 K N 0.885 121.316 120.400 0.052 0.000 2.057 356 K HA -0.197 4.157 4.320 0.056 0.000 0.207 356 K C 1.957 178.596 176.600 0.066 0.000 1.049 356 K CA 1.908 58.222 56.287 0.046 0.000 0.931 356 K CB -0.198 32.328 32.500 0.042 0.000 0.714 356 K HN 0.099 8.349 8.250 -0.000 0.000 0.440 357 K N -0.128 120.335 120.400 0.104 0.000 2.097 357 K HA -0.124 4.229 4.320 0.056 0.000 0.205 357 K C 2.141 178.842 176.600 0.168 0.000 1.050 357 K CA 1.365 57.746 56.287 0.156 0.000 0.938 357 K CB -0.402 32.207 32.500 0.181 0.000 0.718 357 K HN 0.364 8.614 8.250 -0.000 0.000 0.442 358 c N 1.237 119.937 118.600 0.168 0.000 2.446 358 c HA -0.037 4.567 4.570 0.056 0.000 0.277 358 c C 2.580 176.701 174.090 0.051 0.000 1.275 358 c CA 0.975 57.423 56.329 0.197 0.000 1.727 358 c CB -0.665 41.965 42.510 0.199 0.000 2.010 358 c HN 0.563 8.793 8.230 -0.000 0.000 0.486 359 Q N -0.253 119.552 119.800 0.008 0.000 2.124 359 Q HA -0.247 4.126 4.340 0.056 0.000 0.202 359 Q C 2.356 178.287 176.000 -0.116 0.000 0.977 359 Q CA 1.930 57.702 55.803 -0.051 0.000 0.850 359 Q CB -0.152 28.569 28.738 -0.029 0.000 0.901 359 Q HN 0.735 9.005 8.270 -0.000 0.000 0.429 360 Q N -0.890 118.832 119.800 -0.130 0.000 2.084 360 Q HA -0.202 4.171 4.340 0.056 0.000 0.202 360 Q C 1.678 177.328 176.000 -0.583 0.000 0.978 360 Q CA 1.322 56.968 55.803 -0.262 0.000 0.844 360 Q CB -0.226 28.417 28.738 -0.159 0.000 0.898 360 Q HN 0.473 8.743 8.270 -0.000 0.000 0.426 361 W N 0.758 121.498 121.300 -0.934 0.000 2.355 361 W HA -0.162 4.532 4.660 0.057 0.000 0.309 361 W C 2.498 178.625 176.519 -0.654 0.000 1.206 361 W CA 1.562 58.194 57.345 -1.189 0.000 1.284 361 W CB -0.980 28.090 29.460 -0.649 0.000 1.145 361 W HN 0.024 8.204 8.180 -0.000 0.000 0.502 362 S N -0.047 115.450 115.700 -0.338 0.000 2.365 362 S HA -0.350 4.153 4.470 0.056 0.000 0.225 362 S C 2.007 176.461 174.600 -0.242 0.000 1.039 362 S CA 2.161 60.160 58.200 -0.336 0.000 1.033 362 S CB -0.729 62.339 63.200 -0.221 0.000 0.887 362 S HN 0.539 8.849 8.310 -0.000 0.000 0.447 363 Q N -0.157 119.515 119.800 -0.213 0.000 2.002 363 Q HA -0.182 4.192 4.340 0.056 0.000 0.204 363 Q C 2.262 178.180 176.000 -0.136 0.000 0.988 363 Q CA 1.805 57.517 55.803 -0.153 0.000 0.843 363 Q CB -0.246 28.407 28.738 -0.141 0.000 0.908 363 Q HN 0.479 8.749 8.270 -0.000 0.000 0.420 364 Q N -0.059 119.611 119.800 -0.216 0.000 2.226 364 Q HA -0.103 4.271 4.340 0.056 0.000 0.204 364 Q C 2.090 178.138 176.000 0.081 0.000 0.975 364 Q CA 1.540 57.287 55.803 -0.094 0.000 0.866 364 Q CB -0.170 28.417 28.738 -0.253 0.000 0.915 364 Q HN 0.516 8.786 8.270 -0.000 0.000 0.440 365 S N -1.061 114.627 115.700 -0.019 0.000 2.562 365 S HA 0.156 4.659 4.470 0.056 0.000 0.221 365 S C 1.328 175.951 174.600 0.038 0.000 0.975 365 S CA 0.546 58.797 58.200 0.084 0.000 0.918 365 S CB -0.053 63.094 63.200 -0.087 0.000 0.772 365 S HN 0.439 8.749 8.310 -0.000 0.000 0.531 366 G N 0.862 109.662 108.800 -0.000 0.000 2.225 366 G HA2 -0.269 3.724 3.960 0.056 0.000 0.264 366 G HA3 -0.269 3.724 3.960 0.056 0.000 0.264 366 G C 0.265 175.155 174.900 -0.018 0.000 1.060 366 G CA 0.242 45.344 45.100 0.003 0.000 0.833 366 G HN 0.636 8.926 8.290 -0.000 0.000 0.498 367 Q N -2.418 117.345 119.800 -0.062 0.000 2.460 367 Q HA -0.180 4.194 4.340 0.056 0.000 0.248 367 Q C 1.451 177.413 176.000 -0.064 0.000 0.847 367 Q CA 1.606 57.364 55.803 -0.075 0.000 1.214 367 Q CB -1.607 27.104 28.738 -0.044 0.000 1.523 367 Q HN 0.648 8.918 8.270 -0.000 0.000 0.602 368 N N -1.138 117.528 118.700 -0.058 0.000 2.396 368 N HA 0.045 4.818 4.740 0.056 0.000 0.180 368 N C -0.102 175.346 175.510 -0.103 0.000 1.028 368 N CA 0.940 53.974 53.050 -0.025 0.000 0.893 368 N CB 0.538 39.046 38.487 0.036 0.000 0.967 368 N HN 0.148 8.528 8.380 -0.000 0.000 0.440 369 V N 0.145 119.912 119.914 -0.245 0.000 2.656 369 V HA 0.464 4.618 4.120 0.056 0.000 0.307 369 V C -0.074 175.824 176.094 -0.328 0.000 1.051 369 V CA -0.661 61.411 62.300 -0.381 0.000 0.893 369 V CB 1.961 33.228 31.823 -0.926 0.000 0.999 369 V HN 0.197 8.387 8.190 -0.000 0.000 0.426 370 T N 0.544 114.973 114.554 -0.208 0.000 2.858 370 T HA 0.697 5.081 4.350 0.056 0.000 0.285 370 T C -0.619 174.033 174.700 -0.080 0.000 1.052 370 T CA -0.721 61.294 62.100 -0.142 0.000 1.009 370 T CB 1.787 70.601 68.868 -0.091 0.000 1.241 370 T HN 0.633 8.873 8.240 -0.000 0.000 0.542 371 c N 1.016 119.589 118.600 -0.044 0.000 2.507 371 c HA 0.964 5.567 4.570 0.056 0.000 0.319 371 c C 0.442 174.532 174.090 -0.000 0.000 1.208 371 c CA -0.765 55.572 56.329 0.013 0.000 1.619 371 c CB 0.432 42.958 42.510 0.026 0.000 2.230 371 c HN 1.222 9.452 8.230 -0.000 0.000 0.492 372 A N 2.078 124.903 122.820 0.008 0.000 2.356 372 A HA 0.947 5.301 4.320 0.056 0.000 0.323 372 A C -0.376 177.199 177.584 -0.014 0.000 1.119 372 A CA -0.254 51.768 52.037 -0.024 0.000 0.790 372 A CB 1.079 20.047 19.000 -0.053 0.000 1.273 372 A HN 0.820 8.970 8.150 -0.000 0.000 0.452 373 T N 0.458 114.995 114.554 -0.029 0.000 2.900 373 T HA 0.787 5.171 4.350 0.056 0.000 0.295 373 T C -0.394 174.273 174.700 -0.054 0.000 1.044 373 T CA 0.156 62.239 62.100 -0.029 0.000 0.995 373 T CB 1.749 70.606 68.868 -0.018 0.000 1.072 373 T HN 1.590 9.830 8.240 -0.000 0.000 0.473 374 A N 0.791 123.573 122.820 -0.065 0.000 2.594 374 A HA 0.734 5.087 4.320 0.056 0.000 0.291 374 A C 0.714 178.247 177.584 -0.085 0.000 1.105 374 A CA -0.669 51.318 52.037 -0.083 0.000 0.694 374 A CB 1.211 20.145 19.000 -0.110 0.000 1.291 374 A HN 0.633 8.783 8.150 -0.000 0.000 0.410 375 S N -0.213 115.435 115.700 -0.087 0.000 2.496 375 S HA 0.153 4.656 4.470 0.056 0.000 0.224 375 S C 0.813 175.344 174.600 -0.115 0.000 0.996 375 S CA 1.249 59.394 58.200 -0.092 0.000 0.927 375 S CB -0.215 62.940 63.200 -0.075 0.000 0.774 375 S HN 1.325 9.635 8.310 -0.000 0.000 0.524 376 T N -2.845 111.638 114.554 -0.119 0.000 2.864 376 T HA 0.348 4.731 4.350 0.056 0.000 0.299 376 T C 0.775 175.369 174.700 -0.177 0.000 1.166 376 T CA -0.571 61.448 62.100 -0.134 0.000 1.007 376 T CB 1.313 70.129 68.868 -0.086 0.000 1.219 376 T HN -0.187 8.053 8.240 -0.000 0.000 0.506 377 T N 1.015 115.418 114.554 -0.251 0.000 2.746 377 T HA -0.084 4.300 4.350 0.056 0.000 0.267 377 T C 1.373 175.889 174.700 -0.306 0.000 1.039 377 T CA 1.648 63.515 62.100 -0.388 0.000 1.142 377 T CB -0.565 67.787 68.868 -0.859 0.000 0.866 377 T HN 0.698 8.938 8.240 -0.000 0.000 0.444 378 D N 1.264 121.549 120.400 -0.191 0.000 2.133 378 D HA -0.106 4.568 4.640 0.056 0.000 0.195 378 D C 1.954 178.102 176.300 -0.254 0.000 0.997 378 D CA 1.074 55.044 54.000 -0.050 0.000 0.840 378 D CB -0.430 40.472 40.800 0.170 0.000 0.947 378 D HN 0.282 8.652 8.370 -0.000 0.000 0.452 379 D N -0.527 119.748 120.400 -0.208 0.000 2.144 379 D HA -0.097 4.577 4.640 0.056 0.000 0.199 379 D C 2.115 178.267 176.300 -0.247 0.000 0.984 379 D CA 0.486 54.346 54.000 -0.233 0.000 0.834 379 D CB -0.465 40.242 40.800 -0.155 0.000 0.955 379 D HN 0.197 8.567 8.370 -0.000 0.000 0.465 380 c N 0.431 118.898 118.600 -0.222 0.000 2.435 380 c HA -0.050 4.553 4.570 0.056 0.000 0.279 380 c C 2.600 176.547 174.090 -0.237 0.000 1.321 380 c CA -0.133 56.068 56.329 -0.214 0.000 1.752 380 c CB -0.718 41.668 42.510 -0.207 0.000 1.959 380 c HN 0.328 8.558 8.230 -0.000 0.000 0.500 381 I N 0.216 120.632 120.570 -0.257 0.000 2.226 381 I HA -0.122 4.082 4.170 0.056 0.000 0.245 381 I C 2.527 178.466 176.117 -0.296 0.000 1.100 381 I CA 1.557 62.717 61.300 -0.233 0.000 1.374 381 I CB -1.364 36.548 38.000 -0.147 0.000 1.057 381 I HN 0.127 8.337 8.210 -0.000 0.000 0.413 382 V N 1.079 120.725 119.914 -0.446 0.000 2.343 382 V HA -0.262 3.892 4.120 0.056 0.000 0.247 382 V C 2.611 178.552 176.094 -0.255 0.000 1.051 382 V CA 1.405 63.445 62.300 -0.434 0.000 1.036 382 V CB -0.452 31.057 31.823 -0.523 0.000 0.654 382 V HN 0.329 8.519 8.190 -0.000 0.000 0.451 383 L N -0.560 120.529 121.223 -0.222 0.000 2.042 383 L HA -0.177 4.196 4.340 0.056 0.000 0.210 383 L C 2.449 179.230 176.870 -0.149 0.000 1.076 383 L CA 1.252 55.993 54.840 -0.165 0.000 0.749 383 L CB -0.706 41.262 42.059 -0.150 0.000 0.893 383 L HN 0.226 8.456 8.230 -0.000 0.000 0.432 384 V N -0.015 119.800 119.914 -0.164 0.000 2.427 384 V HA -0.262 3.892 4.120 0.056 0.000 0.248 384 V C 2.392 178.418 176.094 -0.114 0.000 1.051 384 V CA 1.451 63.666 62.300 -0.142 0.000 1.048 384 V CB -0.316 31.412 31.823 -0.157 0.000 0.666 384 V HN 0.332 8.522 8.190 -0.000 0.000 0.456 385 L N -0.491 120.658 121.223 -0.123 0.000 2.046 385 L HA -0.173 4.201 4.340 0.056 0.000 0.208 385 L C 2.543 179.364 176.870 -0.082 0.000 1.077 385 L CA 1.633 56.418 54.840 -0.093 0.000 0.747 385 L CB -0.529 41.472 42.059 -0.096 0.000 0.896 385 L HN 0.246 8.476 8.230 -0.000 0.000 0.432 386 K N -0.339 120.002 120.400 -0.097 0.000 2.283 386 K HA -0.019 4.335 4.320 0.056 0.000 0.202 386 K C 1.329 177.887 176.600 -0.071 0.000 1.048 386 K CA 0.793 57.032 56.287 -0.080 0.000 0.948 386 K CB -0.028 32.418 32.500 -0.089 0.000 0.742 386 K HN 0.475 8.725 8.250 -0.000 0.000 0.458 387 G N 1.538 110.292 108.800 -0.077 0.000 2.157 387 G HA2 -0.273 3.720 3.960 0.056 0.000 0.248 387 G HA3 -0.273 3.720 3.960 0.056 0.000 0.248 387 G C 0.427 175.284 174.900 -0.073 0.000 0.979 387 G CA 0.428 45.486 45.100 -0.069 0.000 0.650 387 G HN 0.434 8.724 8.290 -0.000 0.000 0.529 388 E N -0.057 120.094 120.200 -0.082 0.000 2.427 388 E HA 0.453 4.837 4.350 0.056 0.000 0.196 388 E C 1.224 177.774 176.600 -0.084 0.000 1.028 388 E CA 0.754 57.106 56.400 -0.080 0.000 0.864 388 E CB 0.270 29.922 29.700 -0.080 0.000 0.813 388 E HN 0.912 9.272 8.360 -0.000 0.000 0.514 389 A N 0.124 122.887 122.820 -0.095 0.000 2.566 389 A HA 0.346 4.700 4.320 0.056 0.000 0.292 389 A C -0.608 176.911 177.584 -0.109 0.000 1.112 389 A CA -0.760 51.214 52.037 -0.104 0.000 0.707 389 A CB 1.440 20.358 19.000 -0.136 0.000 1.302 389 A HN -0.118 8.032 8.150 -0.000 0.000 0.409 390 D N -0.236 120.097 120.400 -0.111 0.000 2.431 390 D HA 0.426 5.099 4.640 0.056 0.000 0.235 390 D C 0.702 176.896 176.300 -0.176 0.000 0.980 390 D CA 1.626 55.571 54.000 -0.093 0.000 0.912 390 D CB 0.758 41.555 40.800 -0.004 0.000 1.056 390 D HN 0.825 9.195 8.370 -0.000 0.000 0.494 391 A N 0.307 122.916 122.820 -0.351 0.000 2.602 391 A HA 0.752 5.105 4.320 0.056 0.000 0.290 391 A C -1.633 175.262 177.584 -1.148 0.000 1.114 391 A CA -0.695 50.984 52.037 -0.597 0.000 0.683 391 A CB 1.551 20.244 19.000 -0.512 0.000 1.281 391 A HN 0.178 8.328 8.150 -0.000 0.000 0.416 392 L N -1.289 119.341 121.223 -0.988 0.000 2.794 392 L HA 0.709 5.083 4.340 0.056 0.000 0.261 392 L C -1.335 175.360 176.870 -0.291 0.000 0.989 392 L CA -0.904 53.419 54.840 -0.862 0.000 0.900 392 L CB 1.836 43.598 42.059 -0.495 0.000 1.473 392 L HN 0.644 8.874 8.230 -0.000 0.000 0.414 393 N N 1.457 120.153 118.700 -0.007 0.000 2.479 393 N HA 0.765 5.539 4.740 0.056 0.000 0.285 393 N C -1.522 174.023 175.510 0.058 0.000 1.075 393 N CA -0.152 52.969 53.050 0.119 0.000 0.967 393 N CB 1.102 39.660 38.487 0.118 0.000 1.137 393 N HN 0.725 9.105 8.380 -0.000 0.000 0.472 394 L N 1.336 122.606 121.223 0.078 0.000 2.409 394 L HA 0.375 4.748 4.340 0.056 0.000 0.262 394 L C -0.326 176.491 176.870 -0.089 0.000 0.992 394 L CA -1.222 53.640 54.840 0.038 0.000 0.817 394 L CB 2.036 44.146 42.059 0.086 0.000 1.350 394 L HN 0.607 8.837 8.230 -0.000 0.000 0.411 395 D N 0.856 121.074 120.400 -0.303 0.000 2.357 395 D HA 0.158 4.831 4.640 0.056 0.000 0.242 395 D C 1.320 177.673 176.300 0.089 0.000 1.153 395 D CA 0.370 54.039 54.000 -0.552 0.000 0.918 395 D CB 1.709 42.271 40.800 -0.397 0.000 1.181 395 D HN 0.606 8.976 8.370 -0.000 0.000 0.435 396 G N 1.543 110.514 108.800 0.285 0.000 2.469 396 G HA2 -0.247 3.746 3.960 0.056 0.000 0.220 396 G HA3 -0.247 3.746 3.960 0.056 0.000 0.220 396 G C 1.400 176.558 174.900 0.429 0.000 1.136 396 G CA 0.724 46.075 45.100 0.419 0.000 0.759 396 G HN 0.646 8.936 8.290 -0.000 0.000 0.562 397 G N -0.203 108.764 108.800 0.279 0.000 2.422 397 G HA2 -0.185 3.808 3.960 0.056 0.000 0.218 397 G HA3 -0.185 3.808 3.960 0.056 0.000 0.218 397 G C 1.571 176.529 174.900 0.096 0.000 1.146 397 G CA 0.963 46.136 45.100 0.123 0.000 0.769 397 G HN 0.462 8.752 8.290 -0.000 0.000 0.547 398 Y N 0.277 120.676 120.300 0.166 0.000 2.395 398 Y HA 0.240 4.825 4.550 0.058 0.000 0.293 398 Y C 2.600 178.573 175.900 0.121 0.000 1.123 398 Y CA -0.252 57.920 58.100 0.120 0.000 1.227 398 Y CB -0.174 38.321 38.460 0.059 0.000 1.012 398 Y HN 0.136 8.416 8.280 -0.000 0.000 0.552 399 I N -1.266 119.488 120.570 0.308 0.000 2.361 399 I HA -0.339 3.865 4.170 0.056 0.000 0.251 399 I C 2.202 178.438 176.117 0.199 0.000 1.133 399 I CA 1.429 62.870 61.300 0.235 0.000 1.413 399 I CB -0.383 37.802 38.000 0.308 0.000 1.073 399 I HN 0.197 8.407 8.210 -0.000 0.000 0.424 400 Y N 1.616 122.011 120.300 0.158 0.000 2.163 400 Y HA -0.270 4.315 4.550 0.058 0.000 0.288 400 Y C 2.687 178.563 175.900 -0.041 0.000 1.136 400 Y CA 2.171 60.338 58.100 0.113 0.000 1.147 400 Y CB -0.470 38.037 38.460 0.078 0.000 0.987 400 Y HN 0.018 8.298 8.280 -0.000 0.000 0.509 401 T N 0.729 115.356 114.554 0.122 0.000 2.652 401 T HA -0.233 4.150 4.350 0.056 0.000 0.267 401 T C 2.103 176.744 174.700 -0.098 0.000 1.039 401 T CA 1.756 63.869 62.100 0.021 0.000 1.153 401 T CB -0.889 68.087 68.868 0.180 0.000 0.863 401 T HN 0.500 8.740 8.240 -0.000 0.000 0.428 402 A N 1.256 124.054 122.820 -0.036 0.000 1.940 402 A HA 0.068 4.421 4.320 0.056 0.000 0.219 402 A C 2.597 180.018 177.584 -0.272 0.000 1.176 402 A CA 1.956 53.943 52.037 -0.084 0.000 0.631 402 A CB -1.339 17.640 19.000 -0.034 0.000 0.814 402 A HN 0.531 8.681 8.150 -0.000 0.000 0.446 403 G N -0.382 108.073 108.800 -0.576 0.000 2.418 403 G HA2 -0.203 3.790 3.960 0.056 0.000 0.217 403 G HA3 -0.203 3.790 3.960 0.056 0.000 0.217 403 G C 1.575 175.924 174.900 -0.919 0.000 1.158 403 G CA 0.891 45.305 45.100 -1.144 0.000 0.771 403 G HN 0.511 8.801 8.290 -0.000 0.000 0.545 404 K N -0.272 119.672 120.400 -0.760 0.000 2.280 404 K HA -0.041 4.312 4.320 0.056 0.000 0.202 404 K C 1.666 178.142 176.600 -0.207 0.000 1.047 404 K CA 0.695 56.748 56.287 -0.390 0.000 0.942 404 K CB -0.206 32.085 32.500 -0.348 0.000 0.739 404 K HN 0.343 8.593 8.250 -0.000 0.000 0.457 405 c N 0.278 118.770 118.600 -0.180 0.000 2.780 405 c HA 0.254 4.857 4.570 0.056 0.000 0.287 405 c C 1.461 175.510 174.090 -0.069 0.000 1.288 405 c CA 0.085 56.373 56.329 -0.068 0.000 1.713 405 c CB -0.633 41.890 42.510 0.023 0.000 1.955 405 c HN 0.728 8.958 8.230 -0.000 0.000 0.613 406 G N 0.775 109.511 108.800 -0.106 0.000 2.195 406 G HA2 -0.199 3.795 3.960 0.056 0.000 0.246 406 G HA3 -0.199 3.795 3.960 0.056 0.000 0.246 406 G C 0.117 174.985 174.900 -0.054 0.000 0.984 406 G CA -0.227 44.837 45.100 -0.059 0.000 0.633 406 G HN 0.484 8.774 8.290 -0.000 0.000 0.525 407 L N 0.933 122.105 121.223 -0.085 0.000 2.452 407 L HA 0.564 4.938 4.340 0.056 0.000 0.267 407 L C 1.116 177.965 176.870 -0.034 0.000 1.188 407 L CA -0.226 54.577 54.840 -0.062 0.000 0.821 407 L CB 1.118 43.132 42.059 -0.075 0.000 1.102 407 L HN 0.366 8.596 8.230 -0.000 0.000 0.470 408 V N -0.224 119.687 119.914 -0.004 0.000 2.914 408 V HA 0.619 4.773 4.120 0.056 0.000 0.314 408 V C -2.579 173.522 176.094 0.011 0.000 1.084 408 V CA -2.285 60.035 62.300 0.033 0.000 0.963 408 V CB 1.706 33.559 31.823 0.051 0.000 1.025 408 V HN 0.557 8.747 8.190 -0.000 0.000 0.432 409 P HA 0.293 4.713 4.420 -0.000 0.000 0.276 409 P C 0.146 177.425 177.300 -0.035 0.000 1.230 409 P CA 0.017 63.060 63.100 -0.095 0.000 0.776 409 P CB 2.060 33.599 31.700 -0.268 0.000 0.888 410 V N 3.278 123.185 119.914 -0.012 0.000 3.090 410 V HA 0.231 4.384 4.120 0.056 0.000 0.237 410 V C 0.857 176.991 176.094 0.067 0.000 1.209 410 V CA 0.791 63.119 62.300 0.047 0.000 1.209 410 V CB 0.039 31.910 31.823 0.081 0.000 0.971 410 V HN 0.425 8.615 8.190 -0.000 0.000 0.477 411 L N -0.618 120.651 121.223 0.076 0.000 2.506 411 L HA 0.795 5.168 4.340 0.056 0.000 0.257 411 L C -1.004 175.930 176.870 0.107 0.000 0.964 411 L CA -0.474 54.433 54.840 0.110 0.000 0.836 411 L CB 2.205 44.368 42.059 0.172 0.000 1.384 411 L HN 0.130 8.360 8.230 -0.000 0.000 0.410 412 A N 1.194 124.087 122.820 0.123 0.000 2.356 412 A HA 0.670 5.024 4.320 0.056 0.000 0.323 412 A C -0.723 176.951 177.584 0.151 0.000 1.119 412 A CA -0.542 51.593 52.037 0.163 0.000 0.790 412 A CB 1.231 20.382 19.000 0.252 0.000 1.273 412 A HN 0.726 8.876 8.150 -0.000 0.000 0.452 413 E N 0.627 120.927 120.200 0.168 0.000 2.360 413 E HA 0.154 4.537 4.350 0.056 0.000 0.269 413 E C -0.697 175.916 176.600 0.021 0.000 1.022 413 E CA 0.094 56.530 56.400 0.061 0.000 0.887 413 E CB 0.670 30.413 29.700 0.070 0.000 0.990 413 E HN 0.603 8.963 8.360 -0.000 0.000 0.426 414 N N 1.960 120.619 118.700 -0.069 0.000 2.410 414 N HA 0.179 4.952 4.740 0.056 0.000 0.287 414 N C -0.759 174.682 175.510 -0.115 0.000 1.044 414 N CA -0.584 52.430 53.050 -0.060 0.000 0.881 414 N CB 1.224 39.684 38.487 -0.046 0.000 1.405 414 N HN 0.390 8.770 8.380 -0.000 0.000 0.490 415 R N 1.311 121.752 120.500 -0.099 0.000 2.730 415 R HA 0.416 4.790 4.340 0.056 0.000 0.228 415 R C -0.325 175.919 176.300 -0.093 0.000 1.312 415 R CA -0.887 55.141 56.100 -0.119 0.000 1.093 415 R CB 0.538 30.761 30.300 -0.129 0.000 1.583 415 R HN 0.319 8.589 8.270 -0.000 0.000 0.535 416 K N 0.660 121.004 120.400 -0.095 0.000 2.237 416 K HA 0.248 4.601 4.320 0.056 0.000 0.270 416 K C -0.677 175.879 176.600 -0.073 0.000 1.015 416 K CA -0.563 55.678 56.287 -0.077 0.000 0.949 416 K CB 1.048 33.501 32.500 -0.077 0.000 0.976 416 K HN 0.759 9.009 8.250 -0.000 0.000 0.472 417 S N -0.200 115.469 115.700 -0.051 0.000 2.599 417 S HA 0.250 4.753 4.470 0.056 0.000 0.287 417 S C 0.271 174.848 174.600 -0.039 0.000 1.105 417 S CA -0.877 57.297 58.200 -0.043 0.000 0.899 417 S CB 1.701 64.895 63.200 -0.009 0.000 1.100 417 S HN 0.630 8.940 8.310 -0.000 0.000 0.482 418 S N -0.316 115.356 115.700 -0.046 0.000 2.517 418 S HA 0.253 4.756 4.470 0.056 0.000 0.214 418 S C 0.399 174.976 174.600 -0.039 0.000 0.991 418 S CA -0.185 57.987 58.200 -0.046 0.000 0.906 418 S CB -0.162 63.003 63.200 -0.059 0.000 0.789 418 S HN 0.666 8.976 8.310 -0.000 0.000 0.513 419 K N 0.470 120.853 120.400 -0.029 0.000 2.156 419 K HA 0.328 4.681 4.320 0.056 0.000 0.250 419 K C -0.475 176.145 176.600 0.034 0.000 0.955 419 K CA -0.512 55.749 56.287 -0.043 0.000 0.855 419 K CB 0.541 33.009 32.500 -0.053 0.000 1.101 419 K HN 0.230 8.480 8.250 -0.000 0.000 0.434 420 H N -0.618 118.437 119.070 -0.025 0.000 3.612 420 H HA -0.229 4.360 4.556 0.055 0.000 0.212 420 H C 1.315 176.631 175.328 -0.020 0.000 1.041 420 H CA 1.284 57.320 56.048 -0.020 0.000 1.205 420 H CB -1.140 28.611 29.762 -0.018 0.000 1.159 420 H HN 0.765 9.045 8.280 -0.000 0.000 0.323 421 S N -0.789 114.951 115.700 0.066 0.000 2.423 421 S HA -0.273 4.230 4.470 0.056 0.000 0.238 421 S C 2.270 176.887 174.600 0.028 0.000 1.028 421 S CA 1.483 59.701 58.200 0.030 0.000 1.000 421 S CB -0.368 62.832 63.200 0.001 0.000 0.797 421 S HN 0.621 8.931 8.310 -0.000 0.000 0.487 422 S N 1.820 117.539 115.700 0.032 0.000 2.368 422 S HA 0.106 4.609 4.470 0.056 0.000 0.225 422 S C 0.924 175.547 174.600 0.039 0.000 1.030 422 S CA 0.262 58.478 58.200 0.027 0.000 0.999 422 S CB -0.847 62.366 63.200 0.021 0.000 0.844 422 S HN 0.512 8.822 8.310 -0.000 0.000 0.459 423 L N 2.334 123.598 121.223 0.068 0.000 2.426 423 L HA 0.230 4.603 4.340 0.056 0.000 0.271 423 L C 0.289 177.174 176.870 0.026 0.000 1.169 423 L CA -0.267 54.605 54.840 0.053 0.000 0.836 423 L CB 0.568 42.668 42.059 0.068 0.000 1.112 423 L HN 0.252 8.482 8.230 -0.000 0.000 0.465 424 D N 1.115 121.523 120.400 0.013 0.000 2.399 424 D HA -0.042 4.631 4.640 0.056 0.000 0.241 424 D C 0.983 177.282 176.300 -0.001 0.000 1.133 424 D CA -0.070 53.934 54.000 0.006 0.000 0.890 424 D CB 1.220 42.025 40.800 0.007 0.000 1.201 424 D HN 0.621 8.991 8.370 -0.000 0.000 0.432 425 c N 2.696 121.294 118.600 -0.004 0.000 2.391 425 c HA -0.164 4.440 4.570 0.056 0.000 0.276 425 c C 2.519 176.604 174.090 -0.007 0.000 1.217 425 c CA 0.906 57.228 56.329 -0.011 0.000 1.766 425 c CB -0.878 41.622 42.510 -0.015 0.000 2.046 425 c HN 0.610 8.840 8.230 -0.000 0.000 0.475 426 V N 0.699 120.616 119.914 0.005 0.000 2.594 426 V HA -0.137 4.017 4.120 0.056 0.000 0.253 426 V C 1.988 178.089 176.094 0.012 0.000 1.069 426 V CA 2.036 64.347 62.300 0.017 0.000 1.082 426 V CB -0.456 31.385 31.823 0.029 0.000 0.680 426 V HN 0.615 8.805 8.190 -0.000 0.000 0.469 427 L N -1.302 119.919 121.223 -0.002 0.000 2.616 427 L HA 0.242 4.615 4.340 0.056 0.000 0.229 427 L C 1.328 178.165 176.870 -0.055 0.000 1.110 427 L CA 0.151 54.983 54.840 -0.014 0.000 0.884 427 L CB -0.069 41.986 42.059 -0.007 0.000 1.115 427 L HN 0.076 8.306 8.230 -0.000 0.000 0.481 428 R N 2.196 122.655 120.500 -0.068 0.000 2.489 428 R HA 0.184 4.558 4.340 0.056 0.000 0.287 428 R C -2.263 173.946 176.300 -0.151 0.000 1.053 428 R CA -1.518 54.495 56.100 -0.146 0.000 1.036 428 R CB 0.570 30.819 30.300 -0.086 0.000 0.966 428 R HN -0.128 8.142 8.270 -0.000 0.000 0.432 429 P HA 0.015 4.435 4.420 -0.000 0.000 0.269 429 P C -0.634 176.622 177.300 -0.073 0.000 1.215 429 P CA -0.151 62.863 63.100 -0.143 0.000 0.780 429 P CB 0.644 32.236 31.700 -0.180 0.000 0.898 430 T N -2.011 112.534 114.554 -0.015 0.000 2.868 430 T HA 0.226 4.610 4.350 0.056 0.000 0.292 430 T C 0.728 175.421 174.700 -0.011 0.000 1.028 430 T CA -0.307 61.798 62.100 0.009 0.000 1.059 430 T CB 0.873 69.782 68.868 0.069 0.000 0.991 430 T HN 0.365 8.605 8.240 -0.000 0.000 0.531 431 E N 0.398 120.592 120.200 -0.011 0.000 2.389 431 E HA 0.404 4.788 4.350 0.056 0.000 0.199 431 E C 0.955 177.521 176.600 -0.056 0.000 0.978 431 E CA 0.087 56.469 56.400 -0.030 0.000 0.912 431 E CB 0.285 29.967 29.700 -0.030 0.000 0.907 431 E HN 1.124 9.484 8.360 -0.000 0.000 0.494 432 G N 1.047 109.828 108.800 -0.032 0.000 2.692 432 G HA2 -0.208 3.785 3.960 0.056 0.000 0.686 432 G HA3 -0.208 3.785 3.960 0.056 0.000 0.686 432 G C -0.782 174.090 174.900 -0.045 0.000 1.243 432 G CA -0.396 44.652 45.100 -0.086 0.000 0.782 432 G HN 0.203 8.493 8.290 -0.000 0.000 0.625 433 Y N -1.186 119.043 120.300 -0.119 0.000 2.567 433 Y HA 0.838 5.419 4.550 0.052 0.000 0.333 433 Y C 0.349 176.155 175.900 -0.157 0.000 1.106 433 Y CA -1.951 56.063 58.100 -0.145 0.000 1.157 433 Y CB 1.335 39.702 38.460 -0.155 0.000 1.277 433 Y HN 0.537 8.817 8.280 -0.000 0.000 0.490 434 L N 3.125 124.354 121.223 0.011 0.000 2.257 434 L HA 0.593 4.967 4.340 0.056 0.000 0.290 434 L C 0.043 176.953 176.870 0.067 0.000 1.044 434 L CA -1.048 53.741 54.840 -0.085 0.000 0.810 434 L CB 1.081 43.054 42.059 -0.143 0.000 1.193 434 L HN 0.920 9.150 8.230 -0.000 0.000 0.425 435 A N 4.747 127.598 122.820 0.052 0.000 2.404 435 A HA 0.549 4.902 4.320 0.056 0.000 0.273 435 A C -0.051 177.636 177.584 0.173 0.000 1.144 435 A CA -0.339 51.790 52.037 0.154 0.000 0.806 435 A CB 0.412 19.473 19.000 0.103 0.000 1.080 435 A HN 0.579 8.729 8.150 -0.000 0.000 0.509 436 V N -0.530 119.504 119.914 0.200 0.000 3.102 436 V HA 0.961 5.114 4.120 0.056 0.000 0.312 436 V C -0.031 176.203 176.094 0.233 0.000 1.135 436 V CA -0.546 61.869 62.300 0.192 0.000 1.022 436 V CB 1.579 33.489 31.823 0.145 0.000 1.056 436 V HN 1.571 9.761 8.190 -0.000 0.000 0.436 437 A N 2.095 125.046 122.820 0.218 0.000 2.303 437 A HA 0.874 5.227 4.320 0.056 0.000 0.320 437 A C -0.642 176.983 177.584 0.069 0.000 1.192 437 A CA -0.624 51.501 52.037 0.148 0.000 0.821 437 A CB 1.274 20.484 19.000 0.350 0.000 1.188 437 A HN 1.413 9.563 8.150 -0.000 0.000 0.492 438 V N 3.079 122.984 119.914 -0.016 0.000 2.604 438 V HA 0.709 4.862 4.120 0.056 0.000 0.305 438 V C 0.107 176.241 176.094 0.066 0.000 1.043 438 V CA -0.479 61.867 62.300 0.077 0.000 0.888 438 V CB 1.290 33.199 31.823 0.143 0.000 0.995 438 V HN 1.132 9.322 8.190 -0.000 0.000 0.429 439 V N 1.362 121.354 119.914 0.129 0.000 3.141 439 V HA 0.775 4.928 4.120 0.056 0.000 0.312 439 V C -0.684 175.479 176.094 0.115 0.000 1.157 439 V CA -1.355 60.997 62.300 0.086 0.000 1.041 439 V CB 2.147 33.993 31.823 0.039 0.000 1.071 439 V HN 0.663 8.853 8.190 -0.000 0.000 0.441 440 K N 1.339 121.739 120.400 0.000 0.000 2.249 440 K HA 0.357 4.711 4.320 0.056 0.000 0.280 440 K C 1.005 177.532 176.600 -0.122 0.000 1.033 440 K CA -0.088 56.107 56.287 -0.153 0.000 0.946 440 K CB 1.254 33.650 32.500 -0.173 0.000 1.005 440 K HN 0.829 9.079 8.250 -0.000 0.000 0.469 441 K N 2.726 123.023 120.400 -0.170 0.000 2.063 441 K HA -0.169 4.184 4.320 0.056 0.000 0.208 441 K C 1.314 177.862 176.600 -0.086 0.000 1.048 441 K CA 1.669 57.897 56.287 -0.099 0.000 0.928 441 K CB -0.082 32.352 32.500 -0.109 0.000 0.713 441 K HN 0.689 8.939 8.250 -0.000 0.000 0.442 442 A N 1.478 124.229 122.820 -0.114 0.000 2.186 442 A HA -0.139 4.214 4.320 0.056 0.000 0.219 442 A C 1.170 178.716 177.584 -0.063 0.000 1.159 442 A CA 0.990 52.976 52.037 -0.085 0.000 0.680 442 A CB -0.431 18.511 19.000 -0.098 0.000 0.787 442 A HN 0.334 8.484 8.150 -0.000 0.000 0.467 443 N N 1.574 120.237 118.700 -0.061 0.000 3.298 443 N HA 0.092 4.865 4.740 0.056 0.000 0.292 443 N C -0.748 174.748 175.510 -0.024 0.000 1.271 443 N CA -0.033 52.993 53.050 -0.040 0.000 1.184 443 N CB -0.289 38.174 38.487 -0.040 0.000 1.452 443 N HN 0.524 8.904 8.380 -0.000 0.000 0.534 444 E N -0.520 119.667 120.200 -0.022 0.000 2.437 444 E HA 0.141 4.525 4.350 0.056 0.000 0.263 444 E C 1.040 177.639 176.600 -0.002 0.000 1.030 444 E CA 0.666 57.060 56.400 -0.011 0.000 0.934 444 E CB 0.414 30.106 29.700 -0.013 0.000 0.943 444 E HN 0.551 8.911 8.360 -0.000 0.000 0.444 445 G N 1.776 110.581 108.800 0.008 0.000 2.184 445 G HA2 -0.294 3.700 3.960 0.056 0.000 0.264 445 G HA3 -0.294 3.700 3.960 0.056 0.000 0.264 445 G C -0.067 174.846 174.900 0.022 0.000 0.975 445 G CA 0.357 45.466 45.100 0.014 0.000 0.642 445 G HN 0.375 8.665 8.290 -0.000 0.000 0.536 446 L N 2.674 123.912 121.223 0.024 0.000 2.281 446 L HA 0.762 5.136 4.340 0.056 0.000 0.285 446 L C 0.653 177.563 176.870 0.065 0.000 1.074 446 L CA 0.433 55.293 54.840 0.035 0.000 0.817 446 L CB 0.896 42.970 42.059 0.025 0.000 1.168 446 L HN 0.598 8.828 8.230 -0.000 0.000 0.434 447 T N 0.775 115.381 114.554 0.086 0.000 2.864 447 T HA 0.188 4.571 4.350 0.056 0.000 0.289 447 T C 0.695 175.516 174.700 0.201 0.000 1.082 447 T CA -0.581 61.605 62.100 0.144 0.000 1.009 447 T CB 0.405 69.353 68.868 0.133 0.000 1.234 447 T HN 0.719 8.959 8.240 -0.000 0.000 0.526 448 W N 1.400 122.757 121.300 0.095 0.000 2.325 448 W HA -0.174 4.510 4.660 0.040 0.000 0.299 448 W C 0.829 177.427 176.519 0.132 0.000 1.215 448 W CA 1.736 59.158 57.345 0.130 0.000 1.244 448 W CB -0.343 29.180 29.460 0.105 0.000 1.140 448 W HN 0.668 8.848 8.180 -0.000 0.000 0.523 449 N N 0.200 119.005 118.700 0.176 0.000 2.521 449 N HA -0.094 4.679 4.740 0.056 0.000 0.188 449 N C 1.050 176.564 175.510 0.007 0.000 1.146 449 N CA 1.351 54.446 53.050 0.076 0.000 0.893 449 N CB -0.074 38.487 38.487 0.123 0.000 0.975 449 N HN 0.118 8.498 8.380 -0.000 0.000 0.451 450 S N -0.808 114.889 115.700 -0.004 0.000 2.741 450 S HA 0.301 4.805 4.470 0.056 0.000 0.247 450 S C 1.208 175.772 174.600 -0.060 0.000 1.050 450 S CA -0.496 57.686 58.200 -0.030 0.000 1.025 450 S CB -0.326 62.872 63.200 -0.003 0.000 0.897 450 S HN 0.072 8.382 8.310 -0.000 0.000 0.508 451 L N 0.692 121.862 121.223 -0.089 0.000 2.313 451 L HA 0.191 4.564 4.340 0.056 0.000 0.214 451 L C 1.473 178.159 176.870 -0.308 0.000 1.119 451 L CA 0.530 55.338 54.840 -0.053 0.000 0.809 451 L CB -0.150 41.928 42.059 0.031 0.000 0.933 451 L HN 0.338 8.568 8.230 -0.000 0.000 0.449 452 K N 1.100 121.142 120.400 -0.597 0.000 2.489 452 K HA -0.121 4.232 4.320 0.056 0.000 0.278 452 K C -0.021 176.284 176.600 -0.493 0.000 1.000 452 K CA 0.450 56.132 56.287 -1.009 0.000 1.012 452 K CB 0.345 32.410 32.500 -0.725 0.000 0.903 452 K HN 0.107 8.357 8.250 -0.000 0.000 0.485 453 D N 1.038 121.166 120.400 -0.452 0.000 3.076 453 D HA -0.164 4.510 4.640 0.056 0.000 0.218 453 D C -0.361 175.928 176.300 -0.019 0.000 1.156 453 D CA 1.196 55.099 54.000 -0.162 0.000 0.921 453 D CB -0.370 40.349 40.800 -0.135 0.000 1.113 453 D HN 0.427 8.797 8.370 -0.000 0.000 0.418 454 K N 0.356 120.802 120.400 0.077 0.000 2.209 454 K HA 0.475 4.829 4.320 0.056 0.000 0.238 454 K C 0.818 177.536 176.600 0.198 0.000 1.028 454 K CA -0.363 56.005 56.287 0.134 0.000 0.935 454 K CB 0.828 33.410 32.500 0.136 0.000 1.162 454 K HN -0.021 8.229 8.250 -0.000 0.000 0.485 455 K N 0.801 121.228 120.400 0.045 0.000 2.185 455 K HA 0.287 4.640 4.320 0.056 0.000 0.269 455 K C -0.272 176.193 176.600 -0.225 0.000 0.987 455 K CA -0.406 55.855 56.287 -0.044 0.000 0.865 455 K CB 1.391 33.863 32.500 -0.046 0.000 1.090 455 K HN 0.684 8.934 8.250 -0.000 0.000 0.450 456 S N 0.698 116.169 115.700 -0.382 0.000 2.566 456 S HA 0.581 5.085 4.470 0.056 0.000 0.298 456 S C -0.554 173.866 174.600 -0.300 0.000 1.083 456 S CA -0.846 57.025 58.200 -0.547 0.000 0.978 456 S CB 1.132 63.635 63.200 -1.160 0.000 1.073 456 S HN 0.604 8.914 8.310 -0.000 0.000 0.491 457 c N 3.132 121.509 118.600 -0.372 0.000 2.340 457 c HA 0.662 5.265 4.570 0.056 0.000 0.323 457 c C -0.399 173.572 174.090 -0.198 0.000 1.260 457 c CA -0.624 55.587 56.329 -0.195 0.000 1.464 457 c CB -0.294 42.090 42.510 -0.210 0.000 2.156 457 c HN 0.905 9.135 8.230 -0.000 0.000 0.476 458 H N 1.227 120.402 119.070 0.175 0.000 2.572 458 H HA 0.263 4.855 4.556 0.060 0.000 0.359 458 H C 0.981 176.391 175.328 0.136 0.000 1.134 458 H CA -0.034 56.168 56.048 0.256 0.000 1.187 458 H CB 2.029 31.999 29.762 0.348 0.000 1.597 458 H HN 0.729 9.009 8.280 -0.000 0.000 0.524 459 T N 0.402 115.070 114.554 0.191 0.000 2.684 459 T HA 0.080 4.464 4.350 0.056 0.000 0.267 459 T C 0.839 175.481 174.700 -0.096 0.000 1.036 459 T CA 0.876 62.944 62.100 -0.054 0.000 1.148 459 T CB 0.135 68.889 68.868 -0.191 0.000 0.863 459 T HN 0.758 8.998 8.240 -0.000 0.000 0.436 460 A N -0.550 122.292 122.820 0.038 0.000 2.574 460 A HA 0.528 4.881 4.320 0.056 0.000 0.298 460 A C -0.664 176.870 177.584 -0.084 0.000 0.987 460 A CA -0.788 51.277 52.037 0.047 0.000 0.678 460 A CB 0.528 19.621 19.000 0.155 0.000 1.296 460 A HN 0.348 8.498 8.150 -0.000 0.000 0.420 461 V N 2.415 122.143 119.914 -0.310 0.000 2.788 461 V HA 0.225 4.379 4.120 0.056 0.000 0.307 461 V C 1.001 176.775 176.094 -0.532 0.000 1.069 461 V CA 1.960 63.750 62.300 -0.849 0.000 1.173 461 V CB 0.484 31.804 31.823 -0.837 0.000 0.925 461 V HN 1.113 9.303 8.190 -0.000 0.000 0.492 462 D N 1.106 121.130 120.400 -0.626 0.000 2.946 462 D HA -0.154 4.520 4.640 0.056 0.000 0.202 462 D C 0.617 176.733 176.300 -0.306 0.000 1.068 462 D CA 1.221 55.044 54.000 -0.294 0.000 1.011 462 D CB -0.470 40.178 40.800 -0.253 0.000 1.105 462 D HN 0.696 9.066 8.370 -0.000 0.000 0.425 463 R N -0.078 120.302 120.500 -0.199 0.000 2.543 463 R HA 0.443 4.816 4.340 0.056 0.000 0.268 463 R C 1.647 178.006 176.300 0.099 0.000 1.067 463 R CA -0.009 55.996 56.100 -0.157 0.000 1.142 463 R CB 0.602 30.820 30.300 -0.137 0.000 1.110 463 R HN -0.070 8.200 8.270 -0.000 0.000 0.549 464 T N 1.045 115.700 114.554 0.168 0.000 2.569 464 T HA -0.215 4.169 4.350 0.056 0.000 0.263 464 T C 1.761 176.589 174.700 0.213 0.000 1.074 464 T CA 1.862 64.096 62.100 0.224 0.000 1.176 464 T CB -0.253 68.704 68.868 0.148 0.000 0.863 464 T HN 0.736 8.976 8.240 -0.000 0.000 0.410 465 A N 1.032 124.036 122.820 0.307 0.000 1.970 465 A HA 0.299 4.652 4.320 0.056 0.000 0.216 465 A C 2.550 180.325 177.584 0.320 0.000 1.170 465 A CA 1.471 53.701 52.037 0.322 0.000 0.645 465 A CB -1.087 18.195 19.000 0.471 0.000 0.816 465 A HN 0.531 8.681 8.150 -0.000 0.000 0.447 466 G N -2.707 106.274 108.800 0.301 0.000 2.484 466 G HA2 -0.052 3.942 3.960 0.056 0.000 0.218 466 G HA3 -0.052 3.942 3.960 0.056 0.000 0.218 466 G C 1.176 176.360 174.900 0.473 0.000 1.130 466 G CA 1.036 46.353 45.100 0.362 0.000 0.784 466 G HN 0.636 8.926 8.290 -0.000 0.000 0.543 467 W N -0.607 120.733 121.300 0.067 0.000 5.371 467 W HA 0.053 4.748 4.660 0.059 0.000 0.169 467 W C 1.340 177.797 176.519 -0.103 0.000 1.184 467 W CA 0.204 57.520 57.345 -0.047 0.000 1.946 467 W CB -0.365 29.022 29.460 -0.121 0.000 0.602 467 W HN 0.053 8.233 8.180 -0.000 0.000 1.086 468 N N 1.831 120.639 118.700 0.180 0.000 2.036 468 N HA -0.193 4.580 4.740 0.056 0.000 0.195 468 N C 1.570 177.072 175.510 -0.014 0.000 1.037 468 N CA 2.418 55.511 53.050 0.071 0.000 0.855 468 N CB -0.766 37.838 38.487 0.195 0.000 1.033 468 N HN 0.093 8.473 8.380 -0.000 0.000 0.423 469 I N 1.540 122.140 120.570 0.049 0.000 2.133 469 I HA -0.125 4.078 4.170 0.056 0.000 0.238 469 I C -0.625 175.454 176.117 -0.063 0.000 1.074 469 I CA 1.251 62.562 61.300 0.018 0.000 1.342 469 I CB -2.332 35.691 38.000 0.038 0.000 1.053 469 I HN 0.093 8.303 8.210 -0.000 0.000 0.404 470 P HA -0.177 4.243 4.420 -0.000 0.000 0.215 470 P C 1.851 178.982 177.300 -0.282 0.000 1.157 470 P CA 1.710 64.691 63.100 -0.198 0.000 0.868 470 P CB -0.152 31.117 31.700 -0.717 0.000 0.788 471 M N -0.811 118.480 119.600 -0.514 0.000 2.296 471 M HA 0.022 4.535 4.480 0.056 0.000 0.265 471 M C 2.429 178.497 176.300 -0.387 0.000 1.064 471 M CA 1.560 56.472 55.300 -0.646 0.000 1.109 471 M CB -2.231 29.581 32.600 -1.313 0.000 1.396 471 M HN 0.005 8.295 8.290 -0.000 0.000 0.430 472 G N 0.505 109.144 108.800 -0.270 0.000 2.421 472 G HA2 -0.141 3.852 3.960 0.056 0.000 0.216 472 G HA3 -0.141 3.852 3.960 0.056 0.000 0.216 472 G C 1.689 176.533 174.900 -0.093 0.000 1.171 472 G CA 0.430 45.443 45.100 -0.146 0.000 0.775 472 G HN 0.407 8.697 8.290 -0.000 0.000 0.543 473 L N -0.025 121.166 121.223 -0.053 0.000 2.056 473 L HA 0.020 4.394 4.340 0.056 0.000 0.207 473 L C 2.833 179.719 176.870 0.025 0.000 1.078 473 L CA 0.635 55.492 54.840 0.027 0.000 0.749 473 L CB -0.361 41.766 42.059 0.113 0.000 0.901 473 L HN 0.167 8.397 8.230 -0.000 0.000 0.433 474 I N -0.905 119.611 120.570 -0.090 0.000 2.286 474 I HA -0.254 3.949 4.170 0.056 0.000 0.248 474 I C 2.438 178.372 176.117 -0.305 0.000 1.115 474 I CA 0.931 62.021 61.300 -0.350 0.000 1.392 474 I CB -0.111 37.433 38.000 -0.759 0.000 1.065 474 I HN 0.006 8.216 8.210 -0.000 0.000 0.418 475 V N 0.993 120.788 119.914 -0.198 0.000 2.270 475 V HA -0.277 3.877 4.120 0.056 0.000 0.245 475 V C 2.163 178.212 176.094 -0.075 0.000 1.043 475 V CA 1.959 64.195 62.300 -0.107 0.000 1.014 475 V CB -0.767 31.038 31.823 -0.029 0.000 0.645 475 V HN 0.429 8.619 8.190 -0.000 0.000 0.447 476 N N 0.160 118.827 118.700 -0.055 0.000 2.036 476 N HA -0.233 4.540 4.740 0.056 0.000 0.195 476 N C 1.916 177.415 175.510 -0.019 0.000 1.037 476 N CA 1.770 54.803 53.050 -0.029 0.000 0.855 476 N CB -0.430 38.046 38.487 -0.018 0.000 1.033 476 N HN 0.570 8.950 8.380 -0.000 0.000 0.423 477 Q N -0.795 118.997 119.800 -0.012 0.000 2.124 477 Q HA -0.077 4.296 4.340 0.056 0.000 0.202 477 Q C 1.667 177.660 176.000 -0.012 0.000 0.977 477 Q CA 1.783 57.593 55.803 0.012 0.000 0.850 477 Q CB -0.176 28.602 28.738 0.067 0.000 0.901 477 Q HN 0.601 8.871 8.270 -0.000 0.000 0.429 478 T N -3.401 111.118 114.554 -0.059 0.000 3.129 478 T HA 0.207 4.590 4.350 0.056 0.000 0.251 478 T C 1.175 175.862 174.700 -0.023 0.000 1.117 478 T CA 0.260 62.340 62.100 -0.035 0.000 1.034 478 T CB 0.137 68.974 68.868 -0.053 0.000 0.968 478 T HN 0.387 8.627 8.240 -0.000 0.000 0.526 479 G N 0.759 109.543 108.800 -0.026 0.000 2.395 479 G HA2 -0.135 3.859 3.960 0.056 0.000 0.300 479 G HA3 -0.135 3.859 3.960 0.056 0.000 0.300 479 G C -0.027 174.859 174.900 -0.023 0.000 0.998 479 G CA 0.494 45.582 45.100 -0.019 0.000 1.046 479 G HN 1.247 9.537 8.290 -0.000 0.000 0.513 480 S N -2.171 113.508 115.700 -0.035 0.000 2.537 480 S HA 0.445 4.949 4.470 0.056 0.000 0.271 480 S C 0.551 175.116 174.600 -0.057 0.000 1.148 480 S CA 0.074 58.249 58.200 -0.042 0.000 0.868 480 S CB 0.876 64.055 63.200 -0.035 0.000 1.115 480 S HN 0.700 9.010 8.310 -0.000 0.000 0.461 481 c N 3.199 121.748 118.600 -0.086 0.000 2.754 481 c HA 0.530 5.134 4.570 0.056 0.000 0.276 481 c C 1.758 175.645 174.090 -0.339 0.000 1.264 481 c CA 0.365 56.608 56.329 -0.145 0.000 1.700 481 c CB -1.445 40.987 42.510 -0.130 0.000 1.885 481 c HN 0.838 9.068 8.230 -0.000 0.000 0.607 482 A N 0.818 123.505 122.820 -0.221 0.000 2.916 482 A HA 0.294 4.648 4.320 0.056 0.000 0.254 482 A C 1.104 178.593 177.584 -0.159 0.000 1.544 482 A CA -0.359 51.537 52.037 -0.233 0.000 1.224 482 A CB -1.165 17.775 19.000 -0.101 0.000 1.012 482 A HN 0.744 8.894 8.150 -0.000 0.000 0.636 483 F N -0.236 119.701 119.950 -0.021 0.000 2.583 483 F HA -0.141 4.419 4.527 0.056 0.000 0.297 483 F C 1.457 177.298 175.800 0.069 0.000 1.131 483 F CA 0.664 58.631 58.000 -0.056 0.000 1.467 483 F CB -0.265 38.623 39.000 -0.186 0.000 1.097 483 F HN 0.431 8.731 8.300 -0.000 0.000 0.586 484 D N 0.624 121.129 120.400 0.176 0.000 2.347 484 D HA -0.110 4.564 4.640 0.056 0.000 0.213 484 D C 1.154 177.568 176.300 0.190 0.000 0.985 484 D CA 0.586 54.750 54.000 0.274 0.000 0.879 484 D CB -0.363 40.526 40.800 0.147 0.000 0.919 484 D HN 0.532 8.902 8.370 -0.000 0.000 0.526 485 E N -1.394 118.883 120.200 0.129 0.000 2.526 485 E HA 0.147 4.530 4.350 0.056 0.000 0.208 485 E C 0.818 177.475 176.600 0.095 0.000 0.997 485 E CA -0.378 56.078 56.400 0.093 0.000 0.961 485 E CB 0.069 29.791 29.700 0.036 0.000 1.030 485 E HN 0.089 8.449 8.360 -0.000 0.000 0.483 486 F N 0.202 120.119 119.950 -0.056 0.000 2.163 486 F HA 0.089 4.645 4.527 0.049 0.000 0.297 486 F C 0.229 175.856 175.800 -0.288 0.000 1.094 486 F CA 0.877 58.735 58.000 -0.236 0.000 1.290 486 F CB 0.328 39.081 39.000 -0.411 0.000 1.017 486 F HN -0.178 8.122 8.300 -0.000 0.000 0.483 487 F N -0.110 119.916 119.950 0.126 0.000 2.432 487 F HA 0.240 4.796 4.527 0.049 0.000 0.329 487 F C 1.676 177.494 175.800 0.029 0.000 1.076 487 F CA -0.284 57.737 58.000 0.035 0.000 1.018 487 F CB 1.107 40.218 39.000 0.184 0.000 1.201 487 F HN -0.154 8.146 8.300 -0.000 0.000 0.489 488 S N 0.610 116.427 115.700 0.194 0.000 2.355 488 S HA -0.031 4.473 4.470 0.056 0.000 0.222 488 S C 0.244 174.929 174.600 0.141 0.000 1.031 488 S CA 0.706 58.973 58.200 0.112 0.000 0.993 488 S CB -0.233 63.005 63.200 0.062 0.000 0.859 488 S HN 0.719 9.029 8.310 -0.000 0.000 0.453 489 Q N -0.517 119.378 119.800 0.159 0.000 2.418 489 Q HA 0.733 5.106 4.340 0.056 0.000 0.282 489 Q C -1.604 174.473 176.000 0.128 0.000 1.044 489 Q CA -0.523 55.360 55.803 0.134 0.000 0.813 489 Q CB 2.576 31.361 28.738 0.080 0.000 1.428 489 Q HN 0.287 8.557 8.270 -0.000 0.000 0.402 490 S N 0.013 115.798 115.700 0.142 0.000 2.638 490 S HA 0.568 5.072 4.470 0.056 0.000 0.274 490 S C -1.695 172.998 174.600 0.155 0.000 1.157 490 S CA -0.611 57.678 58.200 0.150 0.000 0.826 490 S CB 1.829 65.194 63.200 0.276 0.000 1.139 490 S HN 0.706 9.016 8.310 -0.000 0.000 0.474 491 c N 2.254 120.964 118.600 0.183 0.000 2.356 491 c HA 0.842 5.445 4.570 0.056 0.000 0.324 491 c C -0.311 173.940 174.090 0.268 0.000 1.167 491 c CA -0.193 56.248 56.329 0.188 0.000 1.420 491 c CB -1.033 41.577 42.510 0.166 0.000 2.036 491 c HN 0.898 9.128 8.230 -0.000 0.000 0.435 492 A N 7.690 130.638 122.820 0.213 0.000 2.893 492 A HA 0.649 5.003 4.320 0.056 0.000 0.333 492 A C -2.780 174.837 177.584 0.056 0.000 1.152 492 A CA -1.067 51.064 52.037 0.157 0.000 0.782 492 A CB 0.226 19.262 19.000 0.059 0.000 1.108 492 A HN 0.688 8.838 8.150 -0.000 0.000 0.469 493 P HA 0.181 4.601 4.420 -0.000 0.000 0.261 493 P C 1.239 178.562 177.300 0.037 0.000 1.165 493 P CA 2.435 65.613 63.100 0.131 0.000 0.759 493 P CB 0.614 32.502 31.700 0.313 0.000 0.772 494 G N 1.170 109.977 108.800 0.013 0.000 2.195 494 G HA2 -0.100 3.893 3.960 0.056 0.000 0.224 494 G HA3 -0.100 3.893 3.960 0.056 0.000 0.224 494 G C 0.410 175.265 174.900 -0.075 0.000 0.990 494 G CA 0.026 45.108 45.100 -0.031 0.000 0.639 494 G HN 0.844 9.134 8.290 -0.000 0.000 0.514 495 A N -0.126 122.647 122.820 -0.079 0.000 2.239 495 A HA 0.631 4.984 4.320 0.056 0.000 0.303 495 A C 0.243 177.829 177.584 0.003 0.000 1.114 495 A CA 0.479 52.482 52.037 -0.056 0.000 0.871 495 A CB 0.331 19.302 19.000 -0.048 0.000 1.201 495 A HN 0.496 8.646 8.150 -0.000 0.000 0.506 496 D N -0.177 120.240 120.400 0.028 0.000 2.412 496 D HA 0.196 4.869 4.640 0.056 0.000 0.257 496 D C -1.679 174.646 176.300 0.041 0.000 1.217 496 D CA -1.456 52.565 54.000 0.035 0.000 0.897 496 D CB 0.808 41.634 40.800 0.044 0.000 1.132 496 D HN 0.045 8.415 8.370 -0.000 0.000 0.493 497 P HA -0.167 4.253 4.420 -0.000 0.000 0.217 497 P C 0.611 177.935 177.300 0.041 0.000 1.148 497 P CA 1.571 64.693 63.100 0.036 0.000 0.828 497 P CB 0.172 31.887 31.700 0.025 0.000 0.783 498 K N -0.548 119.876 120.400 0.038 0.000 2.365 498 K HA 0.054 4.407 4.320 0.056 0.000 0.197 498 K C 1.212 177.841 176.600 0.049 0.000 1.042 498 K CA 0.363 56.674 56.287 0.039 0.000 0.987 498 K CB -0.226 32.293 32.500 0.032 0.000 0.779 498 K HN 0.231 8.481 8.250 -0.000 0.000 0.484 499 S N 1.265 117.000 115.700 0.059 0.000 2.632 499 S HA 0.085 4.589 4.470 0.056 0.000 0.267 499 S C 1.214 175.869 174.600 0.091 0.000 1.276 499 S CA -0.848 57.398 58.200 0.075 0.000 0.998 499 S CB 1.398 64.651 63.200 0.087 0.000 0.953 499 S HN 0.316 8.626 8.310 -0.000 0.000 0.547 500 R N 0.806 121.369 120.500 0.105 0.000 2.241 500 R HA 0.012 4.386 4.340 0.056 0.000 0.224 500 R C 1.413 177.805 176.300 0.155 0.000 1.101 500 R CA 1.135 57.307 56.100 0.120 0.000 0.995 500 R CB -0.943 29.431 30.300 0.123 0.000 0.870 500 R HN 0.712 8.982 8.270 -0.000 0.000 0.463 501 L N 0.101 121.428 121.223 0.173 0.000 2.465 501 L HA -0.029 4.344 4.340 0.056 0.000 0.224 501 L C 1.372 178.334 176.870 0.153 0.000 1.145 501 L CA 0.365 55.326 54.840 0.202 0.000 0.834 501 L CB 0.098 42.294 42.059 0.228 0.000 0.944 501 L HN 0.308 8.538 8.230 -0.000 0.000 0.451 502 c N -1.584 117.088 118.600 0.120 0.000 3.336 502 c HA 0.318 4.921 4.570 0.056 0.000 0.291 502 c C 2.685 176.835 174.090 0.100 0.000 1.363 502 c CA -0.136 56.255 56.329 0.104 0.000 1.737 502 c CB -0.184 42.373 42.510 0.078 0.000 2.274 502 c HN 0.541 8.771 8.230 -0.000 0.000 0.663 503 A N 0.855 123.734 122.820 0.098 0.000 1.948 503 A HA -0.173 4.181 4.320 0.056 0.000 0.220 503 A C 1.725 179.359 177.584 0.085 0.000 1.177 503 A CA 1.812 53.898 52.037 0.083 0.000 0.636 503 A CB -0.356 18.692 19.000 0.079 0.000 0.815 503 A HN 0.449 8.599 8.150 -0.000 0.000 0.449 504 L N -0.676 120.604 121.223 0.095 0.000 2.558 504 L HA 0.115 4.489 4.340 0.056 0.000 0.225 504 L C 0.821 177.795 176.870 0.173 0.000 1.128 504 L CA -0.055 54.841 54.840 0.093 0.000 0.868 504 L CB -0.858 41.225 42.059 0.040 0.000 1.006 504 L HN 0.375 8.605 8.230 -0.000 0.000 0.454 505 c N -0.752 117.955 118.600 0.179 0.000 2.657 505 c HA 0.416 5.019 4.570 0.056 0.000 0.404 505 c C 1.803 175.980 174.090 0.144 0.000 1.291 505 c CA 0.043 56.505 56.329 0.223 0.000 2.218 505 c CB 0.671 43.273 42.510 0.153 0.000 2.687 505 c HN 0.549 8.779 8.230 -0.000 0.000 0.634 506 A N 1.500 124.351 122.820 0.052 0.000 2.324 506 A HA 0.578 4.931 4.320 0.056 0.000 0.220 506 A C 1.112 178.651 177.584 -0.076 0.000 1.209 506 A CA 0.979 52.984 52.037 -0.053 0.000 0.918 506 A CB -0.700 18.172 19.000 -0.214 0.000 0.959 506 A HN 2.076 10.226 8.150 -0.000 0.000 0.507 507 G N 0.749 109.507 108.800 -0.070 0.000 2.642 507 G HA2 -0.083 3.910 3.960 0.056 0.000 0.231 507 G HA3 -0.083 3.910 3.960 0.056 0.000 0.231 507 G C -0.307 174.541 174.900 -0.087 0.000 1.338 507 G CA 0.101 45.167 45.100 -0.057 0.000 0.883 507 G HN 0.962 9.252 8.290 -0.000 0.000 0.570 508 D N -0.825 119.538 120.400 -0.062 0.000 2.507 508 D HA 0.352 5.025 4.640 0.056 0.000 0.280 508 D C 1.210 177.478 176.300 -0.053 0.000 1.219 508 D CA 0.252 54.216 54.000 -0.059 0.000 1.085 508 D CB -0.097 40.679 40.800 -0.040 0.000 1.134 508 D HN 0.327 8.697 8.370 -0.000 0.000 0.583 509 D N -0.758 119.620 120.400 -0.037 0.000 2.220 509 D HA -0.193 4.480 4.640 0.056 0.000 0.198 509 D C 1.490 177.776 176.300 -0.022 0.000 1.001 509 D CA 1.399 55.383 54.000 -0.026 0.000 0.875 509 D CB 0.091 40.884 40.800 -0.012 0.000 0.921 509 D HN 0.498 8.868 8.370 -0.000 0.000 0.454 510 Q N -1.097 118.691 119.800 -0.021 0.000 2.282 510 Q HA 0.244 4.617 4.340 0.056 0.000 0.206 510 Q C 1.265 177.255 176.000 -0.016 0.000 0.878 510 Q CA 0.489 56.283 55.803 -0.015 0.000 0.944 510 Q CB 1.475 30.205 28.738 -0.012 0.000 1.100 510 Q HN 0.321 8.591 8.270 -0.000 0.000 0.509 511 G N 1.166 109.952 108.800 -0.024 0.000 2.176 511 G HA2 -0.256 3.738 3.960 0.056 0.000 0.253 511 G HA3 -0.256 3.738 3.960 0.056 0.000 0.253 511 G C 0.218 175.108 174.900 -0.017 0.000 0.979 511 G CA -0.041 45.047 45.100 -0.020 0.000 0.641 511 G HN 0.230 8.520 8.290 -0.000 0.000 0.530 512 L N 0.074 121.286 121.223 -0.019 0.000 2.456 512 L HA 0.481 4.854 4.340 0.056 0.000 0.257 512 L C 0.954 177.811 176.870 -0.022 0.000 1.162 512 L CA 0.109 54.939 54.840 -0.017 0.000 0.808 512 L CB 0.440 42.489 42.059 -0.017 0.000 1.136 512 L HN 0.099 8.329 8.230 -0.000 0.000 0.466 513 D N 0.023 120.411 120.400 -0.020 0.000 2.981 513 D HA -0.175 4.499 4.640 0.056 0.000 0.223 513 D C 0.238 176.527 176.300 -0.019 0.000 1.151 513 D CA 0.928 54.913 54.000 -0.025 0.000 0.827 513 D CB -0.759 40.019 40.800 -0.037 0.000 1.101 513 D HN 0.502 8.872 8.370 -0.000 0.000 0.426 514 K N -0.176 120.220 120.400 -0.007 0.000 2.453 514 K HA 0.157 4.510 4.320 0.056 0.000 0.280 514 K C 0.889 177.500 176.600 0.019 0.000 1.045 514 K CA 0.667 56.958 56.287 0.007 0.000 1.059 514 K CB 0.195 32.704 32.500 0.016 0.000 0.901 514 K HN 0.426 8.676 8.250 -0.000 0.000 0.475 515 c N 2.600 121.222 118.600 0.036 0.000 4.497 515 c HA -0.175 4.428 4.570 0.056 0.000 0.268 515 c C 0.465 174.574 174.090 0.033 0.000 1.343 515 c CA 0.314 56.675 56.329 0.054 0.000 1.742 515 c CB -2.650 39.891 42.510 0.051 0.000 1.450 515 c HN 0.708 8.938 8.230 -0.000 0.000 0.733 516 V N -0.452 119.461 119.914 -0.002 0.000 2.655 516 V HA 0.417 4.571 4.120 0.056 0.000 0.300 516 V C -1.073 174.976 176.094 -0.074 0.000 1.044 516 V CA -0.529 61.746 62.300 -0.043 0.000 1.095 516 V CB 0.566 32.342 31.823 -0.078 0.000 0.952 516 V HN 0.401 8.591 8.190 -0.000 0.000 0.485 517 P HA 0.250 4.670 4.420 -0.000 0.000 0.220 517 P C -0.960 175.973 177.300 -0.610 0.000 1.806 517 P CA 0.126 63.165 63.100 -0.101 0.000 0.976 517 P CB -0.534 31.223 31.700 0.095 0.000 1.952 518 N N -1.663 116.478 118.700 -0.930 0.000 2.825 518 N HA 0.106 4.880 4.740 0.056 0.000 0.253 518 N C 0.516 175.533 175.510 -0.822 0.000 1.426 518 N CA -0.799 51.654 53.050 -0.995 0.000 0.851 518 N CB 0.117 38.360 38.487 -0.406 0.000 1.470 518 N HN -0.196 8.184 8.380 -0.000 0.000 0.517 519 S N -0.814 114.641 115.700 -0.410 0.000 2.584 519 S HA -0.089 4.414 4.470 0.056 0.000 0.240 519 S C 0.832 175.415 174.600 -0.027 0.000 0.975 519 S CA 0.448 58.626 58.200 -0.036 0.000 0.949 519 S CB -0.529 62.733 63.200 0.102 0.000 0.761 519 S HN 0.572 8.882 8.310 -0.000 0.000 0.536 520 K N 0.688 121.035 120.400 -0.089 0.000 2.217 520 K HA 0.018 4.372 4.320 0.056 0.000 0.202 520 K C 0.761 177.330 176.600 -0.052 0.000 1.051 520 K CA 0.847 57.099 56.287 -0.057 0.000 0.952 520 K CB -0.086 32.374 32.500 -0.066 0.000 0.736 520 K HN 0.491 8.741 8.250 -0.000 0.000 0.453 521 E N 2.237 122.407 120.200 -0.050 0.000 2.257 521 E HA -0.025 4.358 4.350 0.056 0.000 0.278 521 E C 0.645 177.233 176.600 -0.020 0.000 1.049 521 E CA 0.193 56.579 56.400 -0.023 0.000 0.876 521 E CB 1.173 30.895 29.700 0.036 0.000 1.035 521 E HN -0.051 8.309 8.360 -0.000 0.000 0.419 522 K N 3.523 123.825 120.400 -0.163 0.000 2.059 522 K HA -0.204 4.150 4.320 0.056 0.000 0.212 522 K C 0.170 176.622 176.600 -0.248 0.000 1.050 522 K CA 1.469 57.562 56.287 -0.324 0.000 0.927 522 K CB -0.117 31.977 32.500 -0.677 0.000 0.714 522 K HN 0.606 8.856 8.250 -0.000 0.000 0.447 523 Y N -0.598 119.710 120.300 0.013 0.000 2.718 523 Y HA 0.129 4.715 4.550 0.059 0.000 0.322 523 Y C -0.398 175.547 175.900 0.076 0.000 1.122 523 Y CA -0.971 57.129 58.100 -0.000 0.000 1.348 523 Y CB -0.749 37.697 38.460 -0.024 0.000 1.174 523 Y HN 0.057 8.337 8.280 -0.000 0.000 0.523 524 Y N 0.763 121.131 120.300 0.113 0.000 2.310 524 Y HA 0.594 5.179 4.550 0.059 0.000 0.326 524 Y C 0.799 176.755 175.900 0.094 0.000 1.151 524 Y CA 0.123 58.279 58.100 0.094 0.000 1.195 524 Y CB 0.635 39.131 38.460 0.059 0.000 1.210 524 Y HN 0.417 8.697 8.280 -0.000 0.000 0.483 525 G N 3.687 111.960 108.800 -0.878 0.000 2.828 525 G HA2 -0.338 3.656 3.960 0.056 0.000 0.463 525 G HA3 -0.338 3.656 3.960 0.056 0.000 0.463 525 G C -0.225 174.552 174.900 -0.205 0.000 1.394 525 G CA 0.019 44.714 45.100 -0.676 0.000 0.862 525 G HN 0.759 9.049 8.290 -0.000 0.000 0.540 526 Y N 0.282 120.553 120.300 -0.049 0.000 2.114 526 Y HA -0.152 4.431 4.550 0.055 0.000 0.282 526 Y C 3.454 179.404 175.900 0.084 0.000 1.165 526 Y CA 2.701 60.810 58.100 0.016 0.000 1.148 526 Y CB -1.050 37.400 38.460 -0.017 0.000 0.972 526 Y HN 0.607 8.887 8.280 -0.000 0.000 0.504 527 T N -0.863 113.855 114.554 0.273 0.000 2.812 527 T HA -0.091 4.292 4.350 0.056 0.000 0.264 527 T C 2.257 177.083 174.700 0.209 0.000 1.042 527 T CA 1.307 63.596 62.100 0.314 0.000 1.140 527 T CB -0.890 68.179 68.868 0.336 0.000 0.870 527 T HN 0.559 8.799 8.240 -0.000 0.000 0.445 528 G N 1.083 109.965 108.800 0.138 0.000 2.402 528 G HA2 -0.009 3.984 3.960 0.056 0.000 0.216 528 G HA3 -0.009 3.984 3.960 0.056 0.000 0.216 528 G C 1.819 176.784 174.900 0.108 0.000 1.162 528 G CA 0.833 46.003 45.100 0.117 0.000 0.777 528 G HN 0.559 8.849 8.290 -0.000 0.000 0.539 529 A N 0.313 123.189 122.820 0.094 0.000 1.930 529 A HA 0.089 4.443 4.320 0.056 0.000 0.217 529 A C 2.153 179.757 177.584 0.034 0.000 1.175 529 A CA 1.522 53.588 52.037 0.050 0.000 0.627 529 A CB -0.506 18.546 19.000 0.086 0.000 0.815 529 A HN 0.400 8.550 8.150 -0.000 0.000 0.443 530 F N 0.519 120.444 119.950 -0.043 0.000 2.259 530 F HA -0.032 4.524 4.527 0.048 0.000 0.298 530 F C 2.232 177.964 175.800 -0.113 0.000 1.088 530 F CA 1.494 59.467 58.000 -0.044 0.000 1.358 530 F CB -0.240 38.785 39.000 0.042 0.000 1.040 530 F HN 0.214 8.514 8.300 -0.000 0.000 0.505 531 R N -0.427 119.846 120.500 -0.378 0.000 2.092 531 R HA -0.197 4.177 4.340 0.056 0.000 0.231 531 R C 2.579 178.559 176.300 -0.533 0.000 1.119 531 R CA 1.548 57.147 56.100 -0.836 0.000 0.970 531 R CB -1.172 28.378 30.300 -1.250 0.000 0.864 531 R HN 0.524 8.794 8.270 -0.000 0.000 0.440 532 c N 0.538 118.802 118.600 -0.560 0.000 2.413 532 c HA -0.081 4.522 4.570 0.056 0.000 0.277 532 c C 2.470 176.248 174.090 -0.521 0.000 1.265 532 c CA 0.882 56.658 56.329 -0.922 0.000 1.752 532 c CB -1.007 41.004 42.510 -0.832 0.000 1.998 532 c HN 0.659 8.889 8.230 -0.000 0.000 0.489 533 L N 1.807 122.807 121.223 -0.372 0.000 2.102 533 L HA 0.266 4.639 4.340 0.056 0.000 0.202 533 L C 2.690 179.431 176.870 -0.214 0.000 1.076 533 L CA 2.254 56.943 54.840 -0.252 0.000 0.761 533 L CB -0.940 41.018 42.059 -0.169 0.000 0.921 533 L HN 0.265 8.495 8.230 -0.000 0.000 0.444 534 A N -0.604 122.026 122.820 -0.318 0.000 1.978 534 A HA -0.223 4.131 4.320 0.056 0.000 0.220 534 A C 2.040 179.594 177.584 -0.049 0.000 1.170 534 A CA 1.989 53.939 52.037 -0.145 0.000 0.636 534 A CB -0.631 18.274 19.000 -0.157 0.000 0.810 534 A HN 0.674 8.824 8.150 -0.000 0.000 0.448 535 E N -0.839 119.297 120.200 -0.107 0.000 2.479 535 E HA 0.033 4.417 4.350 0.056 0.000 0.193 535 E C -0.496 176.061 176.600 -0.071 0.000 1.049 535 E CA 0.221 56.592 56.400 -0.049 0.000 0.870 535 E CB 0.130 29.812 29.700 -0.030 0.000 0.944 535 E HN 0.474 8.835 8.360 -0.000 0.000 0.492 536 D N -0.418 119.917 120.400 -0.109 0.000 3.068 536 D HA -0.161 4.513 4.640 0.056 0.000 0.218 536 D C 1.062 177.295 176.300 -0.111 0.000 1.145 536 D CA 0.411 54.351 54.000 -0.101 0.000 0.896 536 D CB -1.356 39.404 40.800 -0.066 0.000 1.105 536 D HN 0.132 8.502 8.370 -0.000 0.000 0.423 537 V N -0.379 119.435 119.914 -0.166 0.000 2.358 537 V HA -0.011 4.142 4.120 0.056 0.000 0.246 537 V C 1.765 177.764 176.094 -0.158 0.000 1.047 537 V CA 2.154 64.355 62.300 -0.165 0.000 1.035 537 V CB 0.062 31.710 31.823 -0.292 0.000 0.658 537 V HN 0.376 8.566 8.190 -0.000 0.000 0.452 538 G N -1.588 107.090 108.800 -0.204 0.000 2.568 538 G HA2 0.397 4.390 3.960 0.056 0.000 0.313 538 G HA3 0.397 4.390 3.960 0.056 0.000 0.313 538 G C -0.287 174.522 174.900 -0.151 0.000 1.227 538 G CA -0.178 44.816 45.100 -0.176 0.000 0.979 538 G HN 0.131 8.421 8.290 -0.000 0.000 0.486 539 D N -1.278 119.041 120.400 -0.135 0.000 2.327 539 D HA 0.066 4.740 4.640 0.056 0.000 0.205 539 D C 0.476 176.700 176.300 -0.128 0.000 0.989 539 D CA 0.711 54.650 54.000 -0.102 0.000 0.873 539 D CB 1.417 42.183 40.800 -0.057 0.000 0.955 539 D HN 0.133 8.503 8.370 -0.000 0.000 0.515 540 V N -0.145 119.635 119.914 -0.222 0.000 2.971 540 V HA 0.706 4.859 4.120 0.056 0.000 0.309 540 V C -1.839 173.949 176.094 -0.509 0.000 1.130 540 V CA -0.738 61.359 62.300 -0.338 0.000 0.964 540 V CB 2.177 33.782 31.823 -0.363 0.000 1.029 540 V HN 0.049 8.239 8.190 -0.000 0.000 0.427 541 A N 5.035 127.539 122.820 -0.526 0.000 2.398 541 A HA 0.858 5.212 4.320 0.056 0.000 0.301 541 A C -1.483 175.824 177.584 -0.461 0.000 1.041 541 A CA -0.367 51.420 52.037 -0.416 0.000 0.711 541 A CB 1.149 20.090 19.000 -0.099 0.000 1.240 541 A HN 0.740 8.890 8.150 -0.000 0.000 0.420 542 F N 2.842 122.779 119.950 -0.021 0.000 2.313 542 F HA 0.502 5.061 4.527 0.054 0.000 0.369 542 F C 0.747 176.635 175.800 0.147 0.000 1.109 542 F CA -0.237 57.811 58.000 0.080 0.000 1.132 542 F CB 1.355 40.397 39.000 0.071 0.000 1.291 542 F HN 0.568 8.868 8.300 -0.000 0.000 0.496 543 V N 0.231 120.322 119.914 0.294 0.000 3.149 543 V HA 0.701 4.854 4.120 0.056 0.000 0.310 543 V C -0.727 175.527 176.094 0.267 0.000 1.353 543 V CA -1.301 61.192 62.300 0.322 0.000 1.040 543 V CB 1.845 33.798 31.823 0.217 0.000 1.136 543 V HN 0.507 8.697 8.190 -0.000 0.000 0.477 544 K N -0.421 120.045 120.400 0.110 0.000 2.245 544 K HA 0.529 4.882 4.320 0.056 0.000 0.234 544 K C 0.640 177.215 176.600 -0.041 0.000 1.021 544 K CA -0.128 56.174 56.287 0.026 0.000 0.898 544 K CB 1.096 33.471 32.500 -0.209 0.000 1.163 544 K HN 0.602 8.852 8.250 -0.000 0.000 0.459 545 N N 0.656 119.353 118.700 -0.005 0.000 2.120 545 N HA -0.193 4.580 4.740 0.056 0.000 0.188 545 N C 0.606 176.138 175.510 0.037 0.000 1.024 545 N CA 2.230 55.303 53.050 0.037 0.000 0.852 545 N CB -0.286 38.227 38.487 0.045 0.000 1.003 545 N HN 0.697 9.077 8.380 -0.000 0.000 0.424 546 D N -1.221 119.122 120.400 -0.094 0.000 2.158 546 D HA -0.146 4.527 4.640 0.056 0.000 0.197 546 D C 1.615 177.845 176.300 -0.118 0.000 0.995 546 D CA 1.721 55.652 54.000 -0.116 0.000 0.846 546 D CB -0.490 40.170 40.800 -0.233 0.000 0.941 546 D HN 0.304 8.674 8.370 -0.000 0.000 0.456 547 T N -0.005 114.407 114.554 -0.236 0.000 2.759 547 T HA -0.138 4.246 4.350 0.056 0.000 0.269 547 T C 2.129 176.516 174.700 -0.522 0.000 1.042 547 T CA 0.810 62.730 62.100 -0.300 0.000 1.140 547 T CB -0.322 68.390 68.868 -0.260 0.000 0.864 547 T HN 0.031 8.271 8.240 -0.000 0.000 0.455 548 V N -0.414 119.167 119.914 -0.554 0.000 2.307 548 V HA -0.119 4.035 4.120 0.056 0.000 0.245 548 V C 2.116 177.912 176.094 -0.496 0.000 1.045 548 V CA 1.264 63.077 62.300 -0.812 0.000 1.024 548 V CB -0.759 30.717 31.823 -0.579 0.000 0.651 548 V HN 0.564 8.754 8.190 -0.000 0.000 0.449 549 W N 0.606 121.730 121.300 -0.292 0.000 2.388 549 W HA -0.077 4.609 4.660 0.043 0.000 0.294 549 W C 2.469 178.890 176.519 -0.164 0.000 1.212 549 W CA 1.222 58.458 57.345 -0.181 0.000 1.271 549 W CB -0.362 29.014 29.460 -0.139 0.000 1.126 549 W HN 0.252 8.432 8.180 -0.000 0.000 0.535 550 E N -0.519 119.697 120.200 0.026 0.000 2.347 550 E HA -0.084 4.300 4.350 0.056 0.000 0.196 550 E C 1.025 177.594 176.600 -0.051 0.000 1.008 550 E CA 0.624 57.015 56.400 -0.015 0.000 0.852 550 E CB -0.191 29.488 29.700 -0.035 0.000 0.783 550 E HN 0.273 8.633 8.360 -0.000 0.000 0.505 551 N N 0.795 119.433 118.700 -0.103 0.000 2.275 551 N HA 0.034 4.807 4.740 0.056 0.000 0.236 551 N C -0.412 175.083 175.510 -0.025 0.000 1.154 551 N CA 0.280 53.301 53.050 -0.048 0.000 0.866 551 N CB 1.227 39.800 38.487 0.144 0.000 1.093 551 N HN 0.090 8.470 8.380 -0.000 0.000 0.515 552 T N -2.992 111.521 114.554 -0.068 0.000 2.865 552 T HA 0.337 4.720 4.350 0.056 0.000 0.294 552 T C 0.089 174.765 174.700 -0.040 0.000 1.119 552 T CA -0.562 61.515 62.100 -0.039 0.000 1.007 552 T CB 1.562 70.381 68.868 -0.082 0.000 1.225 552 T HN -0.064 8.176 8.240 -0.000 0.000 0.515 553 N N 0.132 118.822 118.700 -0.016 0.000 2.721 553 N HA -0.157 4.617 4.740 0.056 0.000 0.249 553 N C 1.112 176.614 175.510 -0.014 0.000 1.072 553 N CA 2.144 55.186 53.050 -0.013 0.000 0.710 553 N CB -1.537 36.938 38.487 -0.020 0.000 0.993 553 N HN 1.743 10.123 8.380 -0.000 0.000 0.547 554 G N -1.416 107.368 108.800 -0.028 0.000 2.199 554 G HA2 -0.354 3.639 3.960 0.056 0.000 0.254 554 G HA3 -0.354 3.639 3.960 0.056 0.000 0.254 554 G C 0.712 175.590 174.900 -0.037 0.000 0.982 554 G CA 0.417 45.498 45.100 -0.033 0.000 0.632 554 G HN 0.448 8.738 8.290 -0.000 0.000 0.529 555 E N 0.284 120.464 120.200 -0.034 0.000 2.338 555 E HA -0.019 4.364 4.350 0.056 0.000 0.197 555 E C 2.293 178.862 176.600 -0.051 0.000 1.007 555 E CA 1.283 57.666 56.400 -0.029 0.000 0.849 555 E CB 0.093 29.786 29.700 -0.010 0.000 0.774 555 E HN 0.557 8.917 8.360 -0.000 0.000 0.506 556 S N -0.547 115.098 115.700 -0.091 0.000 2.591 556 S HA -0.066 4.438 4.470 0.056 0.000 0.235 556 S C 1.387 175.911 174.600 -0.127 0.000 1.074 556 S CA 1.760 59.885 58.200 -0.125 0.000 0.925 556 S CB 0.063 63.124 63.200 -0.231 0.000 0.818 556 S HN 0.333 8.643 8.310 -0.000 0.000 0.535 557 T N -0.742 113.729 114.554 -0.137 0.000 8.285 557 T HA -0.236 4.147 4.350 0.056 0.000 0.317 557 T C 0.245 174.865 174.700 -0.134 0.000 2.029 557 T CA 1.253 63.288 62.100 -0.108 0.000 3.092 557 T CB -2.723 66.109 68.868 -0.060 0.000 2.254 557 T HN 1.283 9.523 8.240 -0.000 0.000 1.172 558 A N 2.055 124.745 122.820 -0.217 0.000 2.477 558 A HA 0.527 4.880 4.320 0.056 0.000 0.246 558 A C 1.292 178.709 177.584 -0.279 0.000 1.078 558 A CA 0.512 52.416 52.037 -0.222 0.000 0.770 558 A CB -0.041 18.768 19.000 -0.318 0.000 1.011 558 A HN 0.767 8.917 8.150 -0.000 0.000 0.494 559 D N 1.888 122.236 120.400 -0.087 0.000 2.200 559 D HA -0.312 4.361 4.640 0.056 0.000 0.192 559 D C 1.430 177.731 176.300 0.002 0.000 1.008 559 D CA 2.053 56.044 54.000 -0.015 0.000 0.872 559 D CB -0.398 40.448 40.800 0.077 0.000 0.923 559 D HN 0.873 9.243 8.370 -0.000 0.000 0.447 560 W N 0.451 121.778 121.300 0.045 0.000 2.678 560 W HA 0.378 5.068 4.660 0.051 0.000 0.256 560 W C 1.447 177.994 176.519 0.047 0.000 1.280 560 W CA 0.492 57.863 57.345 0.045 0.000 1.345 560 W CB -0.342 29.151 29.460 0.054 0.000 1.118 560 W HN 0.146 8.326 8.180 -0.000 0.000 0.629 561 A N 0.827 123.186 122.820 -0.767 0.000 2.197 561 A HA 0.076 4.430 4.320 0.056 0.000 0.210 561 A C 2.035 179.448 177.584 -0.285 0.000 1.180 561 A CA 0.101 51.727 52.037 -0.685 0.000 0.846 561 A CB -0.279 17.988 19.000 -1.221 0.000 0.884 561 A HN 0.090 8.240 8.150 -0.000 0.000 0.487 562 K N 0.596 120.863 120.400 -0.222 0.000 2.044 562 K HA -0.219 4.135 4.320 0.056 0.000 0.224 562 K C 0.689 177.255 176.600 -0.056 0.000 1.056 562 K CA 1.920 58.139 56.287 -0.112 0.000 0.962 562 K CB -0.200 32.259 32.500 -0.069 0.000 0.730 562 K HN 0.407 8.657 8.250 -0.000 0.000 0.453 563 N N 0.700 119.385 118.700 -0.024 0.000 2.314 563 N HA 0.056 4.830 4.740 0.056 0.000 0.200 563 N C -0.278 175.257 175.510 0.042 0.000 1.135 563 N CA 0.200 53.254 53.050 0.008 0.000 0.835 563 N CB 0.226 38.721 38.487 0.014 0.000 0.989 563 N HN 0.138 8.518 8.380 -0.000 0.000 0.478 564 L N 1.279 122.540 121.223 0.064 0.000 2.360 564 L HA 0.178 4.552 4.340 0.056 0.000 0.276 564 L C 0.764 177.740 176.870 0.177 0.000 1.121 564 L CA 0.056 55.004 54.840 0.180 0.000 0.845 564 L CB 0.638 42.843 42.059 0.242 0.000 1.143 564 L HN -0.246 7.984 8.230 -0.000 0.000 0.452 565 K N 3.811 124.340 120.400 0.216 0.000 2.206 565 K HA 0.297 4.651 4.320 0.056 0.000 0.264 565 K C 0.765 177.523 176.600 0.263 0.000 0.967 565 K CA -0.483 55.889 56.287 0.140 0.000 0.844 565 K CB 1.692 34.222 32.500 0.051 0.000 1.099 565 K HN 0.499 8.749 8.250 -0.000 0.000 0.441 566 R N 1.277 121.851 120.500 0.124 0.000 2.105 566 R HA -0.100 4.274 4.340 0.056 0.000 0.239 566 R C 1.220 177.603 176.300 0.138 0.000 1.135 566 R CA 1.071 57.230 56.100 0.098 0.000 0.967 566 R CB 0.162 30.313 30.300 -0.250 0.000 0.861 566 R HN 0.563 8.833 8.270 -0.000 0.000 0.442 567 E N 0.737 120.959 120.200 0.036 0.000 2.463 567 E HA -0.133 4.250 4.350 0.056 0.000 0.201 567 E C 0.272 176.849 176.600 -0.038 0.000 1.045 567 E CA 0.825 57.226 56.400 0.001 0.000 0.872 567 E CB -0.005 29.685 29.700 -0.017 0.000 0.797 567 E HN 0.270 8.630 8.360 -0.000 0.000 0.538 568 D N -0.805 119.538 120.400 -0.095 0.000 2.325 568 D HA 0.061 4.735 4.640 0.056 0.000 0.225 568 D C -0.368 175.534 176.300 -0.665 0.000 1.096 568 D CA 0.170 53.949 54.000 -0.368 0.000 0.844 568 D CB -0.031 40.475 40.800 -0.491 0.000 0.925 568 D HN 0.024 8.394 8.370 -0.000 0.000 0.513 569 F N 0.164 120.109 119.950 -0.008 0.000 2.577 569 F HA 0.520 5.070 4.527 0.038 0.000 0.318 569 F C 0.619 176.419 175.800 0.001 0.000 1.065 569 F CA -0.976 57.032 58.000 0.013 0.000 0.929 569 F CB 1.782 40.815 39.000 0.054 0.000 1.237 569 F HN -0.515 7.785 8.300 -0.000 0.000 0.468 570 R N 1.937 122.553 120.500 0.193 0.000 2.651 570 R HA 0.596 4.970 4.340 0.056 0.000 0.278 570 R C -1.568 174.809 176.300 0.129 0.000 1.010 570 R CA -0.911 55.261 56.100 0.121 0.000 0.896 570 R CB 2.416 32.759 30.300 0.071 0.000 1.211 570 R HN 0.625 8.895 8.270 -0.000 0.000 0.456 571 L N 3.027 124.316 121.223 0.111 0.000 2.325 571 L HA 0.548 4.922 4.340 0.056 0.000 0.279 571 L C 0.110 177.048 176.870 0.113 0.000 1.054 571 L CA -0.820 54.088 54.840 0.113 0.000 0.804 571 L CB 0.904 43.028 42.059 0.107 0.000 1.200 571 L HN 0.260 8.490 8.230 -0.000 0.000 0.436 572 L N 2.171 123.481 121.223 0.145 0.000 2.275 572 L HA 0.405 4.779 4.340 0.056 0.000 0.288 572 L C -0.448 176.495 176.870 0.121 0.000 1.046 572 L CA -0.499 54.450 54.840 0.181 0.000 0.805 572 L CB 1.273 43.523 42.059 0.318 0.000 1.193 572 L HN 0.698 8.928 8.230 -0.000 0.000 0.426 573 c N 2.898 121.536 118.600 0.063 0.000 2.351 573 c HA 0.292 4.896 4.570 0.056 0.000 0.359 573 c C 1.971 175.994 174.090 -0.111 0.000 1.193 573 c CA -0.822 55.480 56.329 -0.045 0.000 2.270 573 c CB 1.145 43.631 42.510 -0.040 0.000 2.369 573 c HN 0.813 9.043 8.230 -0.000 0.000 0.553 574 L N 1.407 122.468 121.223 -0.270 0.000 2.362 574 L HA -0.088 4.286 4.340 0.056 0.000 0.219 574 L C 1.833 178.605 176.870 -0.163 0.000 1.134 574 L CA 1.296 55.894 54.840 -0.403 0.000 0.807 574 L CB -0.499 41.294 42.059 -0.444 0.000 0.927 574 L HN 0.826 9.056 8.230 -0.000 0.000 0.447 575 D N -0.434 119.917 120.400 -0.082 0.000 2.324 575 D HA 0.021 4.694 4.640 0.056 0.000 0.235 575 D C 1.423 177.746 176.300 0.039 0.000 1.095 575 D CA 0.716 54.704 54.000 -0.020 0.000 0.871 575 D CB 0.078 40.862 40.800 -0.028 0.000 0.906 575 D HN 0.247 8.617 8.370 -0.000 0.000 0.522 576 G N -1.075 107.778 108.800 0.088 0.000 2.176 576 G HA2 -0.276 3.717 3.960 0.056 0.000 0.253 576 G HA3 -0.276 3.717 3.960 0.056 0.000 0.253 576 G C 0.552 175.514 174.900 0.103 0.000 0.979 576 G CA 0.440 45.620 45.100 0.134 0.000 0.641 576 G HN 0.540 8.830 8.290 -0.000 0.000 0.530 577 T N 0.167 114.764 114.554 0.071 0.000 2.824 577 T HA 0.676 5.060 4.350 0.056 0.000 0.277 577 T C 0.457 175.198 174.700 0.069 0.000 0.975 577 T CA -0.064 62.070 62.100 0.056 0.000 0.966 577 T CB 0.614 69.500 68.868 0.030 0.000 1.054 577 T HN 0.391 8.631 8.240 -0.000 0.000 0.533 578 R N 1.073 121.608 120.500 0.058 0.000 2.575 578 R HA 0.583 4.957 4.340 0.056 0.000 0.293 578 R C -0.923 175.408 176.300 0.051 0.000 0.983 578 R CA -0.736 55.402 56.100 0.063 0.000 0.887 578 R CB 1.904 32.239 30.300 0.058 0.000 1.184 578 R HN 0.446 8.716 8.270 -0.000 0.000 0.445 579 K N 2.083 122.517 120.400 0.057 0.000 2.482 579 K HA 0.497 4.850 4.320 0.056 0.000 0.257 579 K C -2.685 173.952 176.600 0.062 0.000 0.969 579 K CA -2.167 54.152 56.287 0.053 0.000 0.842 579 K CB 2.384 34.915 32.500 0.051 0.000 1.359 579 K HN 0.231 8.481 8.250 -0.000 0.000 0.441 580 P HA -0.069 4.351 4.420 -0.000 0.000 0.272 580 P C 0.627 177.972 177.300 0.074 0.000 1.240 580 P CA -0.410 62.723 63.100 0.055 0.000 0.791 580 P CB 0.511 32.239 31.700 0.047 0.000 0.978 581 V N -1.223 118.720 119.914 0.049 0.000 3.305 581 V HA -0.111 4.043 4.120 0.056 0.000 0.269 581 V C 1.359 177.587 176.094 0.224 0.000 1.157 581 V CA 2.030 64.370 62.300 0.067 0.000 1.157 581 V CB -1.997 29.768 31.823 -0.097 0.000 0.772 581 V HN 0.622 8.812 8.190 -0.000 0.000 0.498 582 T N -2.318 112.366 114.554 0.216 0.000 3.085 582 T HA 0.060 4.443 4.350 0.056 0.000 0.263 582 T C 1.150 175.989 174.700 0.231 0.000 1.127 582 T CA 1.093 63.409 62.100 0.360 0.000 1.103 582 T CB -0.224 68.790 68.868 0.244 0.000 0.921 582 T HN 0.498 8.738 8.240 -0.000 0.000 0.510 583 E N 0.508 120.807 120.200 0.165 0.000 2.499 583 E HA 0.609 4.993 4.350 0.056 0.000 0.207 583 E C 1.576 178.250 176.600 0.124 0.000 1.034 583 E CA -0.073 56.398 56.400 0.118 0.000 1.098 583 E CB -0.238 29.511 29.700 0.082 0.000 1.148 583 E HN 0.523 8.883 8.360 -0.000 0.000 0.447 584 A N 0.111 123.025 122.820 0.156 0.000 2.019 584 A HA -0.224 4.130 4.320 0.056 0.000 0.219 584 A C 2.015 179.737 177.584 0.230 0.000 1.164 584 A CA 1.158 53.297 52.037 0.170 0.000 0.644 584 A CB -0.129 18.966 19.000 0.159 0.000 0.805 584 A HN 0.213 8.363 8.150 -0.000 0.000 0.449 585 Q N 0.562 120.457 119.800 0.157 0.000 2.291 585 Q HA -0.092 4.282 4.340 0.056 0.000 0.206 585 Q C 1.848 177.990 176.000 0.236 0.000 0.976 585 Q CA 1.863 57.770 55.803 0.173 0.000 0.875 585 Q CB -0.267 28.509 28.738 0.064 0.000 0.927 585 Q HN 0.734 9.004 8.270 -0.000 0.000 0.450 586 S N -3.257 112.514 115.700 0.118 0.000 2.603 586 S HA 0.195 4.698 4.470 0.056 0.000 0.232 586 S C 0.460 175.006 174.600 -0.089 0.000 1.016 586 S CA -0.171 58.027 58.200 -0.004 0.000 0.976 586 S CB 0.130 63.332 63.200 0.004 0.000 0.921 586 S HN 0.270 8.580 8.310 -0.000 0.000 0.516 587 c N 4.515 123.095 118.600 -0.033 0.000 3.471 587 c HA 0.517 5.120 4.570 0.056 0.000 0.191 587 c C -0.441 173.649 174.090 0.001 0.000 1.480 587 c CA -0.516 55.778 56.329 -0.058 0.000 1.281 587 c CB -1.236 41.284 42.510 0.017 0.000 1.898 587 c HN 0.724 8.954 8.230 -0.000 0.000 0.533 588 H N 0.639 119.693 119.070 -0.026 0.000 2.797 588 H HA 0.449 5.041 4.556 0.060 0.000 0.372 588 H C 0.126 175.409 175.328 -0.075 0.000 1.168 588 H CA -0.896 55.137 56.048 -0.025 0.000 1.163 588 H CB 0.910 30.660 29.762 -0.019 0.000 1.778 588 H HN 0.284 8.564 8.280 -0.000 0.000 0.551 589 L N 0.299 121.566 121.223 0.074 0.000 2.270 589 L HA 0.343 4.717 4.340 0.056 0.000 0.210 589 L C 0.906 177.788 176.870 0.019 0.000 1.104 589 L CA 1.015 55.823 54.840 -0.053 0.000 0.804 589 L CB -0.059 41.980 42.059 -0.033 0.000 0.937 589 L HN 0.785 9.015 8.230 -0.000 0.000 0.450 590 A N -0.703 122.195 122.820 0.129 0.000 2.549 590 A HA 0.479 4.832 4.320 0.056 0.000 0.291 590 A C -1.549 175.991 177.584 -0.074 0.000 1.034 590 A CA -0.424 51.651 52.037 0.063 0.000 0.655 590 A CB 1.098 20.072 19.000 -0.043 0.000 1.299 590 A HN -0.213 7.937 8.150 -0.000 0.000 0.427 591 V N 0.597 120.409 119.914 -0.169 0.000 2.427 591 V HA 0.843 4.996 4.120 0.056 0.000 0.286 591 V C 0.226 176.094 176.094 -0.377 0.000 1.034 591 V CA 0.349 62.468 62.300 -0.301 0.000 0.893 591 V CB 0.929 32.589 31.823 -0.272 0.000 0.982 591 V HN 2.243 10.433 8.190 -0.000 0.000 0.452 592 A N 8.256 130.720 122.820 -0.594 0.000 2.350 592 A HA 0.956 5.310 4.320 0.056 0.000 0.324 592 A C -2.786 174.361 177.584 -0.729 0.000 1.118 592 A CA -2.033 49.506 52.037 -0.829 0.000 0.783 592 A CB 1.589 19.849 19.000 -1.233 0.000 1.236 592 A HN 0.779 8.929 8.150 -0.000 0.000 0.457 593 P HA 0.076 4.496 4.420 -0.000 0.000 0.271 593 P C -0.609 176.765 177.300 0.123 0.000 1.218 593 P CA -0.311 62.661 63.100 -0.214 0.000 0.780 593 P CB 0.496 32.052 31.700 -0.241 0.000 0.901 594 N N 1.022 119.891 118.700 0.282 0.000 2.381 594 N HA 0.009 4.783 4.740 0.056 0.000 0.241 594 N C 0.493 176.384 175.510 0.636 0.000 1.279 594 N CA 0.205 53.557 53.050 0.503 0.000 0.896 594 N CB -0.301 38.388 38.487 0.336 0.000 1.118 594 N HN 0.479 8.859 8.380 -0.000 0.000 0.438 595 H N -0.401 118.903 119.070 0.389 0.000 2.790 595 H HA 0.383 4.973 4.556 0.056 0.000 0.358 595 H C -0.170 175.317 175.328 0.264 0.000 1.103 595 H CA -0.396 55.845 56.048 0.321 0.000 1.426 595 H CB 0.691 30.603 29.762 0.251 0.000 1.424 595 H HN 0.545 8.825 8.280 -0.000 0.000 0.599 596 A N 2.703 125.701 122.820 0.297 0.000 2.556 596 A HA 0.446 4.799 4.320 0.056 0.000 0.294 596 A C -0.865 176.799 177.584 0.133 0.000 1.091 596 A CA -0.705 51.421 52.037 0.148 0.000 0.704 596 A CB 1.284 20.197 19.000 -0.145 0.000 1.300 596 A HN 0.448 8.598 8.150 -0.000 0.000 0.406 597 V N 1.471 121.480 119.914 0.157 0.000 2.530 597 V HA 0.474 4.627 4.120 0.056 0.000 0.282 597 V C 0.350 176.466 176.094 0.038 0.000 1.048 597 V CA -0.045 62.350 62.300 0.159 0.000 0.997 597 V CB 0.875 32.897 31.823 0.331 0.000 0.987 597 V HN 1.083 9.273 8.190 -0.000 0.000 0.477 598 V N 2.409 122.303 119.914 -0.033 0.000 2.960 598 V HA 1.063 5.217 4.120 0.056 0.000 0.315 598 V C -0.235 175.807 176.094 -0.086 0.000 1.087 598 V CA -0.265 62.005 62.300 -0.050 0.000 0.982 598 V CB 1.947 33.739 31.823 -0.052 0.000 1.039 598 V HN 1.026 9.216 8.190 -0.000 0.000 0.437 599 S N 2.256 117.924 115.700 -0.054 0.000 2.656 599 S HA 0.650 5.154 4.470 0.056 0.000 0.273 599 S C -0.688 173.890 174.600 -0.037 0.000 1.168 599 S CA -1.131 57.035 58.200 -0.058 0.000 0.817 599 S CB 1.765 64.954 63.200 -0.019 0.000 1.146 599 S HN 1.026 9.336 8.310 -0.000 0.000 0.475 600 R N 0.622 121.101 120.500 -0.035 0.000 2.594 600 R HA 0.325 4.698 4.340 0.056 0.000 0.272 600 R C 1.611 177.911 176.300 -0.000 0.000 1.074 600 R CA 0.499 56.584 56.100 -0.025 0.000 1.105 600 R CB 0.707 30.990 30.300 -0.029 0.000 1.008 600 R HN 0.816 9.086 8.270 -0.000 0.000 0.472 601 S N 1.631 117.334 115.700 0.006 0.000 2.387 601 S HA -0.181 4.322 4.470 0.056 0.000 0.230 601 S C 1.233 175.849 174.600 0.026 0.000 1.035 601 S CA 2.042 60.255 58.200 0.022 0.000 1.014 601 S CB -0.179 63.036 63.200 0.024 0.000 0.836 601 S HN 0.799 9.109 8.310 -0.000 0.000 0.466 602 D N -0.500 119.910 120.400 0.017 0.000 2.371 602 D HA -0.049 4.624 4.640 0.056 0.000 0.221 602 D C 1.593 177.910 176.300 0.028 0.000 0.986 602 D CA 0.363 54.374 54.000 0.019 0.000 0.899 602 D CB -0.234 40.571 40.800 0.008 0.000 0.902 602 D HN 0.325 8.695 8.370 -0.000 0.000 0.530 603 R N -0.211 120.312 120.500 0.037 0.000 2.404 603 R HA 0.353 4.726 4.340 0.056 0.000 0.237 603 R C 1.964 178.329 176.300 0.108 0.000 0.907 603 R CA 0.570 56.710 56.100 0.067 0.000 1.063 603 R CB 0.052 30.381 30.300 0.049 0.000 1.134 603 R HN 0.181 8.451 8.270 -0.000 0.000 0.529 604 A N 1.592 124.459 122.820 0.079 0.000 1.884 604 A HA -0.236 4.118 4.320 0.056 0.000 0.219 604 A C 2.289 179.937 177.584 0.106 0.000 1.197 604 A CA 2.348 54.436 52.037 0.084 0.000 0.637 604 A CB -0.629 18.409 19.000 0.064 0.000 0.827 604 A HN 0.297 8.447 8.150 -0.000 0.000 0.450 605 A N -1.775 121.110 122.820 0.109 0.000 1.908 605 A HA -0.235 4.119 4.320 0.056 0.000 0.218 605 A C 2.166 179.837 177.584 0.145 0.000 1.181 605 A CA 1.846 53.951 52.037 0.112 0.000 0.627 605 A CB -0.955 18.106 19.000 0.102 0.000 0.818 605 A HN 0.796 8.946 8.150 -0.000 0.000 0.445 606 H N -0.453 118.659 119.070 0.070 0.000 2.299 606 H HA -0.081 4.508 4.556 0.056 0.000 0.302 606 H C 2.125 177.516 175.328 0.106 0.000 1.078 606 H CA 1.964 58.060 56.048 0.080 0.000 1.323 606 H CB 0.028 29.832 29.762 0.070 0.000 1.381 606 H HN 0.232 8.512 8.280 -0.000 0.000 0.498 607 V N 1.357 121.345 119.914 0.124 0.000 2.332 607 V HA -0.255 3.898 4.120 0.056 0.000 0.248 607 V C 2.518 178.689 176.094 0.127 0.000 1.055 607 V CA 2.245 64.616 62.300 0.118 0.000 1.038 607 V CB -0.629 31.288 31.823 0.156 0.000 0.651 607 V HN 0.485 8.675 8.190 -0.000 0.000 0.450 608 E N -0.065 120.208 120.200 0.121 0.000 2.038 608 E HA -0.338 4.045 4.350 0.056 0.000 0.195 608 E C 2.340 179.003 176.600 0.104 0.000 1.000 608 E CA 1.996 58.471 56.400 0.125 0.000 0.803 608 E CB -0.251 29.512 29.700 0.105 0.000 0.750 608 E HN 0.698 9.058 8.360 -0.000 0.000 0.448 609 Q N 0.274 120.110 119.800 0.060 0.000 2.077 609 Q HA -0.186 4.188 4.340 0.056 0.000 0.206 609 Q C 2.241 178.278 176.000 0.061 0.000 0.989 609 Q CA 2.163 57.992 55.803 0.044 0.000 0.853 609 Q CB -0.042 28.701 28.738 0.008 0.000 0.907 609 Q HN 0.291 8.561 8.270 -0.000 0.000 0.418 610 V N 0.897 120.818 119.914 0.011 0.000 2.343 610 V HA -0.258 3.895 4.120 0.056 0.000 0.247 610 V C 2.398 178.596 176.094 0.173 0.000 1.051 610 V CA 1.267 63.610 62.300 0.071 0.000 1.036 610 V CB -0.544 31.271 31.823 -0.014 0.000 0.654 610 V HN 0.323 8.513 8.190 -0.000 0.000 0.451 611 L N -0.664 120.681 121.223 0.203 0.000 2.046 611 L HA -0.150 4.223 4.340 0.056 0.000 0.208 611 L C 2.243 179.229 176.870 0.192 0.000 1.077 611 L CA 1.810 56.803 54.840 0.256 0.000 0.747 611 L CB -0.868 41.381 42.059 0.316 0.000 0.896 611 L HN 0.240 8.470 8.230 -0.000 0.000 0.432 612 L N -1.779 119.542 121.223 0.164 0.000 2.046 612 L HA -0.260 4.113 4.340 0.056 0.000 0.208 612 L C 2.631 179.586 176.870 0.143 0.000 1.077 612 L CA 1.399 56.319 54.840 0.134 0.000 0.747 612 L CB -0.779 41.348 42.059 0.114 0.000 0.896 612 L HN 0.364 8.594 8.230 -0.000 0.000 0.432 613 H N -0.196 118.909 119.070 0.058 0.000 2.389 613 H HA -0.126 4.463 4.556 0.056 0.000 0.299 613 H C 2.266 177.620 175.328 0.044 0.000 1.081 613 H CA 1.389 57.458 56.048 0.034 0.000 1.345 613 H CB 0.100 29.881 29.762 0.031 0.000 1.393 613 H HN 0.171 8.451 8.280 -0.000 0.000 0.520 614 Q N 0.198 119.998 119.800 0.001 0.000 2.167 614 Q HA -0.161 4.213 4.340 0.056 0.000 0.202 614 Q C 2.301 178.305 176.000 0.007 0.000 0.970 614 Q CA 1.740 57.581 55.803 0.062 0.000 0.855 614 Q CB -0.166 28.795 28.738 0.372 0.000 0.911 614 Q HN 0.881 9.151 8.270 -0.000 0.000 0.438 615 Q N -0.962 118.826 119.800 -0.020 0.000 2.269 615 Q HA 0.098 4.472 4.340 0.056 0.000 0.201 615 Q C 1.897 177.829 176.000 -0.113 0.000 0.946 615 Q CA 0.953 56.703 55.803 -0.089 0.000 0.877 615 Q CB -0.193 28.551 28.738 0.011 0.000 0.963 615 Q HN 0.167 8.437 8.270 -0.000 0.000 0.472 616 A N 1.736 124.505 122.820 -0.085 0.000 1.940 616 A HA -0.123 4.230 4.320 0.056 0.000 0.219 616 A C 2.118 179.576 177.584 -0.211 0.000 1.176 616 A CA 1.339 53.324 52.037 -0.086 0.000 0.631 616 A CB -0.591 18.407 19.000 -0.002 0.000 0.814 616 A HN 0.438 8.588 8.150 -0.000 0.000 0.446 617 L N -2.837 118.150 121.223 -0.395 0.000 2.102 617 L HA 0.022 4.395 4.340 0.056 0.000 0.202 617 L C 1.467 177.820 176.870 -0.862 0.000 1.076 617 L CA 1.086 55.479 54.840 -0.745 0.000 0.761 617 L CB -0.262 41.057 42.059 -1.233 0.000 0.921 617 L HN 0.453 8.683 8.230 -0.000 0.000 0.444 618 F N -0.746 119.090 119.950 -0.190 0.000 2.688 618 F HA 0.346 4.906 4.527 0.055 0.000 0.310 618 F C 1.413 176.916 175.800 -0.495 0.000 1.098 618 F CA -0.601 57.220 58.000 -0.298 0.000 1.228 618 F CB -0.512 38.325 39.000 -0.270 0.000 1.042 618 F HN -0.139 8.161 8.300 -0.000 0.000 0.557 619 G N 0.335 108.965 108.800 -0.284 0.000 2.525 619 G HA2 0.072 4.066 3.960 0.056 0.000 0.276 619 G HA3 0.072 4.066 3.960 0.056 0.000 0.276 619 G C 1.075 175.922 174.900 -0.088 0.000 1.388 619 G CA -0.260 44.692 45.100 -0.247 0.000 1.050 619 G HN 0.139 8.429 8.290 -0.000 0.000 0.520 620 K N -0.653 119.790 120.400 0.072 0.000 2.059 620 K HA -0.152 4.201 4.320 0.056 0.000 0.212 620 K C 1.591 178.180 176.600 -0.018 0.000 1.050 620 K CA 2.217 58.525 56.287 0.035 0.000 0.927 620 K CB -0.199 32.327 32.500 0.045 0.000 0.714 620 K HN 0.531 8.781 8.250 -0.000 0.000 0.447 621 N N -0.460 118.225 118.700 -0.025 0.000 2.282 621 N HA 0.168 4.942 4.740 0.056 0.000 0.240 621 N C -0.453 175.023 175.510 -0.058 0.000 1.182 621 N CA -0.211 52.817 53.050 -0.036 0.000 0.874 621 N CB 1.258 39.730 38.487 -0.025 0.000 1.126 621 N HN 0.200 8.580 8.380 -0.000 0.000 0.516 622 G N 1.001 109.750 108.800 -0.085 0.000 2.568 622 G HA2 -0.133 3.860 3.960 0.056 0.000 0.231 622 G HA3 -0.133 3.860 3.960 0.056 0.000 0.231 622 G C 0.967 175.790 174.900 -0.128 0.000 1.261 622 G CA -0.226 44.793 45.100 -0.135 0.000 0.855 622 G HN 0.186 8.476 8.290 -0.000 0.000 0.576 623 K N 0.903 121.209 120.400 -0.157 0.000 2.147 623 K HA -0.085 4.269 4.320 0.056 0.000 0.205 623 K C 1.051 177.586 176.600 -0.108 0.000 1.049 623 K CA 1.203 57.417 56.287 -0.121 0.000 0.936 623 K CB 0.089 32.514 32.500 -0.126 0.000 0.722 623 K HN 0.444 8.694 8.250 -0.000 0.000 0.446 624 N N 0.059 118.664 118.700 -0.158 0.000 2.171 624 N HA -0.014 4.760 4.740 0.056 0.000 0.212 624 N C 1.458 177.005 175.510 0.062 0.000 1.184 624 N CA 0.012 53.038 53.050 -0.040 0.000 0.888 624 N CB -0.060 38.412 38.487 -0.025 0.000 1.038 624 N HN 0.134 8.514 8.380 -0.000 0.000 0.517 625 c N 2.915 121.510 118.600 -0.008 0.000 2.458 625 c HA -0.073 4.531 4.570 0.056 0.000 0.284 625 c C -0.363 173.713 174.090 -0.023 0.000 1.191 625 c CA 1.573 57.896 56.329 -0.010 0.000 1.781 625 c CB -1.107 41.345 42.510 -0.095 0.000 1.996 625 c HN 0.228 8.458 8.230 -0.000 0.000 0.431 626 P HA -0.073 4.347 4.420 -0.000 0.000 0.215 626 P C 1.025 178.324 177.300 -0.001 0.000 1.153 626 P CA 2.176 65.258 63.100 -0.030 0.000 0.853 626 P CB -0.414 31.269 31.700 -0.028 0.000 0.788 627 D N 0.014 120.423 120.400 0.015 0.000 2.097 627 D HA -0.143 4.531 4.640 0.056 0.000 0.195 627 D C 1.671 178.007 176.300 0.060 0.000 0.989 627 D CA 1.345 55.363 54.000 0.030 0.000 0.827 627 D CB -0.116 40.700 40.800 0.026 0.000 0.966 627 D HN 0.353 8.723 8.370 -0.000 0.000 0.456 628 K N -1.248 119.214 120.400 0.104 0.000 2.313 628 K HA 0.173 4.526 4.320 0.056 0.000 0.215 628 K C 0.165 176.904 176.600 0.233 0.000 1.109 628 K CA -0.105 56.278 56.287 0.160 0.000 0.895 628 K CB 1.201 33.823 32.500 0.204 0.000 1.234 628 K HN 0.025 8.275 8.250 -0.000 0.000 0.463 629 F N 0.694 120.696 119.950 0.087 0.000 2.615 629 F HA 0.339 4.900 4.527 0.056 0.000 0.312 629 F C -1.858 173.936 175.800 -0.010 0.000 1.119 629 F CA -1.098 56.885 58.000 -0.028 0.000 0.979 629 F CB 1.585 40.455 39.000 -0.217 0.000 1.266 629 F HN -0.028 8.272 8.300 -0.000 0.000 0.444 630 c N 7.382 125.376 118.600 -1.010 0.000 2.316 630 c HA 0.365 4.968 4.570 0.056 0.000 0.324 630 c C 1.616 174.904 174.090 -1.336 0.000 1.226 630 c CA -0.747 55.063 56.329 -0.865 0.000 1.450 630 c CB 0.375 42.617 42.510 -0.447 0.000 2.123 630 c HN 1.062 9.292 8.230 -0.000 0.000 0.454 631 L N 1.438 121.861 121.223 -1.334 0.000 2.043 631 L HA -0.139 4.235 4.340 0.056 0.000 0.212 631 L C 1.295 177.605 176.870 -0.933 0.000 1.075 631 L CA 1.982 56.007 54.840 -1.359 0.000 0.752 631 L CB -0.137 40.852 42.059 -1.783 0.000 0.891 631 L HN 0.678 8.908 8.230 -0.000 0.000 0.432 632 F N -0.403 119.263 119.950 -0.473 0.000 2.663 632 F HA 0.203 4.764 4.527 0.057 0.000 0.299 632 F C 0.497 176.191 175.800 -0.176 0.000 1.143 632 F CA -0.181 57.650 58.000 -0.281 0.000 1.387 632 F CB -0.486 38.358 39.000 -0.260 0.000 1.019 632 F HN -0.159 8.141 8.300 -0.000 0.000 0.523 633 K N -0.246 120.087 120.400 -0.111 0.000 2.385 633 K HA 0.637 4.991 4.320 0.056 0.000 0.248 633 K C 0.322 176.892 176.600 -0.050 0.000 0.955 633 K CA -0.447 55.801 56.287 -0.065 0.000 0.816 633 K CB 1.928 34.367 32.500 -0.102 0.000 1.250 633 K HN -0.103 8.147 8.250 -0.000 0.000 0.434 634 S N 0.106 115.812 115.700 0.011 0.000 2.795 634 S HA 0.057 4.561 4.470 0.056 0.000 0.230 634 S C -1.162 173.472 174.600 0.058 0.000 0.749 634 S CA -0.463 57.763 58.200 0.044 0.000 1.066 634 S CB -0.982 62.269 63.200 0.086 0.000 1.466 634 S HN 0.700 9.010 8.310 -0.000 0.000 0.502 635 E N 0.111 120.334 120.200 0.038 0.000 2.246 635 E HA -0.265 4.118 4.350 0.056 0.000 0.173 635 E C 0.354 176.996 176.600 0.069 0.000 1.532 635 E CA 0.642 57.067 56.400 0.042 0.000 0.672 635 E CB -2.786 26.937 29.700 0.039 0.000 1.078 635 E HN 0.661 9.021 8.360 -0.000 0.000 0.338 636 T N -0.678 113.918 114.554 0.071 0.000 7.578 636 T HA -0.314 4.070 4.350 0.056 0.000 0.299 636 T C 0.845 175.637 174.700 0.153 0.000 2.097 636 T CA 2.199 64.359 62.100 0.100 0.000 3.248 636 T CB -0.655 68.269 68.868 0.093 0.000 2.014 636 T HN 0.564 8.804 8.240 -0.000 0.000 1.198 637 K N 0.963 121.452 120.400 0.149 0.000 2.444 637 K HA 0.299 4.653 4.320 0.056 0.000 0.193 637 K C 0.748 177.459 176.600 0.184 0.000 1.024 637 K CA 0.569 56.961 56.287 0.175 0.000 1.077 637 K CB -0.027 32.567 32.500 0.156 0.000 0.833 637 K HN 0.695 8.945 8.250 -0.000 0.000 0.517 638 N N 1.385 120.187 118.700 0.171 0.000 2.688 638 N HA -0.193 4.580 4.740 0.056 0.000 0.258 638 N C -1.258 174.373 175.510 0.201 0.000 1.016 638 N CA -0.087 53.078 53.050 0.191 0.000 0.747 638 N CB -1.165 37.453 38.487 0.219 0.000 0.895 638 N HN 0.172 8.552 8.380 -0.000 0.000 0.543 639 L N 1.027 122.358 121.223 0.180 0.000 2.290 639 L HA 0.299 4.672 4.340 0.056 0.000 0.284 639 L C 1.677 178.640 176.870 0.155 0.000 1.078 639 L CA -0.530 54.408 54.840 0.164 0.000 0.815 639 L CB 0.750 42.895 42.059 0.144 0.000 1.162 639 L HN 0.349 8.579 8.230 -0.000 0.000 0.435 640 L N 1.334 122.611 121.223 0.090 0.000 3.530 640 L HA -0.348 4.025 4.340 0.056 0.000 0.357 640 L C -0.207 176.404 176.870 -0.432 0.000 2.051 640 L CA 1.592 56.360 54.840 -0.120 0.000 2.804 640 L CB -1.179 40.803 42.059 -0.129 0.000 1.640 640 L HN 0.432 8.662 8.230 -0.000 0.000 0.757 641 F N -0.810 119.273 119.950 0.223 0.000 2.620 641 F HA 0.489 5.048 4.527 0.055 0.000 0.320 641 F C 0.594 176.491 175.800 0.162 0.000 1.069 641 F CA -1.023 57.112 58.000 0.227 0.000 0.953 641 F CB 0.674 39.852 39.000 0.295 0.000 1.322 641 F HN -0.150 8.150 8.300 -0.000 0.000 0.479 642 N N 1.282 120.147 118.700 0.275 0.000 2.518 642 N HA 0.024 4.797 4.740 0.056 0.000 0.266 642 N C 0.367 175.937 175.510 0.100 0.000 1.196 642 N CA 0.143 53.271 53.050 0.130 0.000 0.947 642 N CB 0.826 39.297 38.487 -0.026 0.000 1.098 642 N HN 0.596 8.976 8.380 -0.000 0.000 0.450 643 D N 0.509 120.957 120.400 0.080 0.000 2.263 643 D HA -0.139 4.534 4.640 0.056 0.000 0.208 643 D C 1.014 177.311 176.300 -0.005 0.000 0.971 643 D CA 1.011 55.046 54.000 0.059 0.000 0.867 643 D CB -0.049 40.781 40.800 0.050 0.000 0.929 643 D HN 0.607 8.977 8.370 -0.000 0.000 0.492 644 N N 0.027 118.690 118.700 -0.061 0.000 2.370 644 N HA -0.063 4.711 4.740 0.056 0.000 0.198 644 N C -0.302 175.113 175.510 -0.158 0.000 1.156 644 N CA 0.038 53.026 53.050 -0.103 0.000 0.839 644 N CB -0.515 37.895 38.487 -0.128 0.000 0.989 644 N HN -0.242 8.138 8.380 -0.000 0.000 0.468 645 T N 0.822 115.241 114.554 -0.225 0.000 2.799 645 T HA -0.008 4.375 4.350 0.056 0.000 0.296 645 T C 0.962 175.392 174.700 -0.449 0.000 0.947 645 T CA -0.196 61.644 62.100 -0.434 0.000 1.141 645 T CB 1.528 69.910 68.868 -0.808 0.000 0.891 645 T HN 0.310 8.550 8.240 -0.000 0.000 0.533 646 E N 1.350 121.366 120.200 -0.305 0.000 2.076 646 E HA -0.005 4.378 4.350 0.056 0.000 0.190 646 E C 0.773 177.259 176.600 -0.190 0.000 0.979 646 E CA 0.594 56.886 56.400 -0.180 0.000 0.807 646 E CB 0.287 29.922 29.700 -0.109 0.000 0.761 646 E HN 0.870 9.230 8.360 -0.000 0.000 0.454 647 c N -2.148 116.277 118.600 -0.292 0.000 3.275 647 c HA 0.541 5.144 4.570 0.056 0.000 0.340 647 c C -1.175 172.800 174.090 -0.192 0.000 1.366 647 c CA -1.420 54.807 56.329 -0.171 0.000 1.227 647 c CB 0.111 42.610 42.510 -0.018 0.000 1.512 647 c HN 0.127 8.357 8.230 -0.000 0.000 0.461 648 L N 2.141 123.349 121.223 -0.025 0.000 2.307 648 L HA 0.710 5.084 4.340 0.056 0.000 0.282 648 L C 0.633 177.540 176.870 0.061 0.000 1.051 648 L CA -0.052 54.816 54.840 0.046 0.000 0.804 648 L CB 1.482 43.640 42.059 0.166 0.000 1.197 648 L HN 1.059 9.289 8.230 -0.000 0.000 0.431 649 A N 3.722 126.581 122.820 0.066 0.000 2.350 649 A HA 0.562 4.916 4.320 0.056 0.000 0.324 649 A C -0.512 177.119 177.584 0.078 0.000 1.118 649 A CA -0.797 51.275 52.037 0.060 0.000 0.783 649 A CB 0.937 19.961 19.000 0.040 0.000 1.236 649 A HN 0.685 8.835 8.150 -0.000 0.000 0.457 650 K N 1.075 121.514 120.400 0.066 0.000 2.336 650 K HA 0.200 4.553 4.320 0.056 0.000 0.262 650 K C 0.346 176.990 176.600 0.074 0.000 0.992 650 K CA -0.070 56.258 56.287 0.069 0.000 0.927 650 K CB 0.467 33.000 32.500 0.055 0.000 0.956 650 K HN 0.635 8.885 8.250 -0.000 0.000 0.495 651 L N 0.658 121.931 121.223 0.083 0.000 2.185 651 L HA 0.134 4.507 4.340 0.056 0.000 0.198 651 L C 0.727 177.646 176.870 0.081 0.000 1.079 651 L CA 0.586 55.489 54.840 0.105 0.000 0.780 651 L CB -0.192 41.945 42.059 0.130 0.000 0.955 651 L HN 1.000 9.230 8.230 -0.000 0.000 0.462 652 G N -0.608 108.233 108.800 0.068 0.000 3.399 652 G HA2 0.168 4.161 3.960 0.056 0.000 0.685 652 G HA3 0.168 4.161 3.960 0.056 0.000 0.685 652 G C 0.546 175.479 174.900 0.056 0.000 0.952 652 G CA -0.134 44.996 45.100 0.052 0.000 0.793 652 G HN 0.842 9.132 8.290 -0.000 0.000 0.492 653 G N 2.184 111.013 108.800 0.049 0.000 2.159 653 G HA2 -0.087 3.907 3.960 0.056 0.000 0.227 653 G HA3 -0.087 3.907 3.960 0.056 0.000 0.227 653 G C 0.688 175.622 174.900 0.057 0.000 0.986 653 G CA 0.486 45.614 45.100 0.048 0.000 0.651 653 G HN 2.028 10.318 8.290 -0.000 0.000 0.523 654 R N -0.389 120.149 120.500 0.063 0.000 2.828 654 R HA -0.163 4.211 4.340 0.056 0.000 0.233 654 R C -1.871 174.475 176.300 0.076 0.000 0.821 654 R CA 1.035 57.175 56.100 0.067 0.000 0.563 654 R CB -1.400 28.933 30.300 0.055 0.000 1.117 654 R HN 0.578 8.848 8.270 -0.000 0.000 0.508 655 P HA -0.001 4.419 4.420 -0.000 0.000 0.271 655 P C 0.428 177.801 177.300 0.120 0.000 1.216 655 P CA 0.048 63.217 63.100 0.115 0.000 0.776 655 P CB 0.832 32.635 31.700 0.172 0.000 0.881 656 T N 0.191 114.801 114.554 0.093 0.000 2.732 656 T HA 0.069 4.453 4.350 0.056 0.000 0.287 656 T C 1.320 176.104 174.700 0.141 0.000 0.993 656 T CA -0.181 61.981 62.100 0.104 0.000 0.966 656 T CB -0.077 68.817 68.868 0.043 0.000 1.047 656 T HN 0.532 8.772 8.240 -0.000 0.000 0.527 657 Y N -0.424 119.938 120.300 0.103 0.000 2.421 657 Y HA 0.111 4.694 4.550 0.055 0.000 0.292 657 Y C 2.079 178.092 175.900 0.188 0.000 1.136 657 Y CA 1.095 59.285 58.100 0.150 0.000 1.255 657 Y CB -0.672 37.841 38.460 0.088 0.000 0.991 657 Y HN 0.724 9.004 8.280 -0.000 0.000 0.552 658 E N 0.752 120.551 120.200 -0.668 0.000 2.076 658 E HA -0.133 4.250 4.350 0.056 0.000 0.190 658 E C 1.965 178.492 176.600 -0.123 0.000 0.979 658 E CA 1.123 57.243 56.400 -0.468 0.000 0.807 658 E CB -0.079 29.326 29.700 -0.491 0.000 0.761 658 E HN 0.658 9.018 8.360 -0.000 0.000 0.454 659 E N 0.239 120.402 120.200 -0.062 0.000 2.077 659 E HA -0.224 4.159 4.350 0.056 0.000 0.193 659 E C 1.859 178.491 176.600 0.053 0.000 0.989 659 E CA 1.064 57.468 56.400 0.005 0.000 0.800 659 E CB -0.162 29.556 29.700 0.030 0.000 0.746 659 E HN 0.251 8.611 8.360 -0.000 0.000 0.452 660 Y N 1.158 121.477 120.300 0.032 0.000 2.145 660 Y HA -0.190 4.394 4.550 0.057 0.000 0.286 660 Y C 1.878 177.841 175.900 0.105 0.000 1.145 660 Y CA 1.450 59.598 58.100 0.080 0.000 1.148 660 Y CB -0.062 38.474 38.460 0.126 0.000 0.981 660 Y HN -0.044 8.236 8.280 -0.000 0.000 0.507 661 L N -0.478 120.827 121.223 0.137 0.000 2.179 661 L HA 0.146 4.520 4.340 0.056 0.000 0.208 661 L C 1.103 178.013 176.870 0.067 0.000 1.096 661 L CA 0.580 55.513 54.840 0.155 0.000 0.779 661 L CB -1.013 41.269 42.059 0.370 0.000 0.922 661 L HN 0.442 8.672 8.230 -0.000 0.000 0.443 662 G N -0.751 108.061 108.800 0.019 0.000 2.692 662 G HA2 -0.206 3.787 3.960 0.056 0.000 0.686 662 G HA3 -0.206 3.787 3.960 0.056 0.000 0.686 662 G C 0.324 175.241 174.900 0.028 0.000 1.243 662 G CA -0.280 44.822 45.100 0.003 0.000 0.782 662 G HN 0.011 8.301 8.290 -0.000 0.000 0.625 663 T N 0.896 115.454 114.554 0.007 0.000 2.867 663 T HA -0.033 4.350 4.350 0.056 0.000 0.268 663 T C 2.059 176.771 174.700 0.020 0.000 1.057 663 T CA 1.840 63.944 62.100 0.007 0.000 1.136 663 T CB -0.121 68.745 68.868 -0.004 0.000 0.874 663 T HN 0.590 8.830 8.240 -0.000 0.000 0.466 664 E N 0.854 121.071 120.200 0.029 0.000 2.007 664 E HA -0.165 4.218 4.350 0.056 0.000 0.203 664 E C 1.958 178.608 176.600 0.083 0.000 1.020 664 E CA 1.441 57.864 56.400 0.040 0.000 0.845 664 E CB -0.604 29.116 29.700 0.033 0.000 0.779 664 E HN 0.511 8.871 8.360 -0.000 0.000 0.466 665 Y N 1.597 121.873 120.300 -0.041 0.000 2.207 665 Y HA -0.198 4.387 4.550 0.057 0.000 0.287 665 Y C 2.295 178.175 175.900 -0.034 0.000 1.156 665 Y CA 0.838 58.913 58.100 -0.042 0.000 1.182 665 Y CB -0.387 38.050 38.460 -0.038 0.000 0.979 665 Y HN -0.172 8.108 8.280 -0.000 0.000 0.521 666 V N -0.170 119.709 119.914 -0.058 0.000 2.515 666 V HA -0.275 3.878 4.120 0.056 0.000 0.250 666 V C 2.458 178.489 176.094 -0.105 0.000 1.058 666 V CA 2.264 64.505 62.300 -0.097 0.000 1.064 666 V CB -1.221 30.636 31.823 0.057 0.000 0.675 666 V HN 0.659 8.849 8.190 -0.000 0.000 0.461 667 T N -1.469 113.050 114.554 -0.057 0.000 2.857 667 T HA -0.033 4.350 4.350 0.056 0.000 0.266 667 T C 1.975 176.625 174.700 -0.084 0.000 1.048 667 T CA 1.215 63.286 62.100 -0.047 0.000 1.139 667 T CB -0.345 68.512 68.868 -0.018 0.000 0.874 667 T HN 0.414 8.654 8.240 -0.000 0.000 0.455 668 A N 1.861 124.625 122.820 -0.092 0.000 1.883 668 A HA 0.077 4.431 4.320 0.056 0.000 0.217 668 A C 2.396 179.871 177.584 -0.181 0.000 1.186 668 A CA 1.552 53.535 52.037 -0.091 0.000 0.624 668 A CB -0.926 18.067 19.000 -0.012 0.000 0.822 668 A HN 0.582 8.732 8.150 -0.000 0.000 0.444 669 I N -0.285 120.066 120.570 -0.365 0.000 2.179 669 I HA -0.281 3.923 4.170 0.056 0.000 0.242 669 I C 3.000 178.897 176.117 -0.366 0.000 1.088 669 I CA 1.020 62.018 61.300 -0.504 0.000 1.357 669 I CB -0.415 36.969 38.000 -1.028 0.000 1.051 669 I HN 0.367 8.577 8.210 -0.000 0.000 0.409 670 A N 1.154 123.808 122.820 -0.276 0.000 1.865 670 A HA -0.243 4.110 4.320 0.056 0.000 0.217 670 A C 2.130 179.684 177.584 -0.049 0.000 1.191 670 A CA 2.095 54.081 52.037 -0.084 0.000 0.623 670 A CB -0.811 18.191 19.000 0.002 0.000 0.826 670 A HN 0.442 8.592 8.150 -0.000 0.000 0.444 671 N N -0.343 118.323 118.700 -0.057 0.000 2.120 671 N HA -0.148 4.626 4.740 0.056 0.000 0.188 671 N C 1.678 177.176 175.510 -0.020 0.000 1.024 671 N CA 1.642 54.675 53.050 -0.030 0.000 0.852 671 N CB -0.472 37.996 38.487 -0.031 0.000 1.003 671 N HN 0.433 8.813 8.380 -0.000 0.000 0.424 672 L N 2.160 123.356 121.223 -0.045 0.000 2.046 672 L HA -0.064 4.309 4.340 0.056 0.000 0.208 672 L C 1.823 178.722 176.870 0.048 0.000 1.077 672 L CA 1.727 56.562 54.840 -0.008 0.000 0.747 672 L CB -0.444 41.579 42.059 -0.060 0.000 0.896 672 L HN -0.097 8.133 8.230 -0.000 0.000 0.432 673 K N 0.678 121.083 120.400 0.007 0.000 2.280 673 K HA -0.181 4.172 4.320 0.056 0.000 0.202 673 K C 1.824 178.463 176.600 0.065 0.000 1.047 673 K CA 1.411 57.727 56.287 0.048 0.000 0.942 673 K CB -0.297 32.219 32.500 0.027 0.000 0.739 673 K HN 0.613 8.863 8.250 -0.000 0.000 0.457 674 K N -0.243 120.184 120.400 0.046 0.000 2.555 674 K HA -0.004 4.349 4.320 0.056 0.000 0.193 674 K C 1.565 178.192 176.600 0.045 0.000 1.032 674 K CA 0.819 57.130 56.287 0.040 0.000 1.004 674 K CB -0.156 32.359 32.500 0.025 0.000 0.804 674 K HN -0.096 8.154 8.250 -0.000 0.000 0.496 675 c N 0.511 119.158 118.600 0.079 0.000 2.634 675 c HA 0.251 4.854 4.570 0.056 0.000 0.268 675 c C 0.850 174.986 174.090 0.077 0.000 1.322 675 c CA -0.266 56.109 56.329 0.076 0.000 1.737 675 c CB -0.446 42.152 42.510 0.147 0.000 1.976 675 c HN 0.494 8.724 8.230 -0.000 0.000 0.547 682 E N 1.114 121.322 120.200 0.013 0.000 2.102 682 E HA 0.769 5.153 4.350 0.056 0.000 0.263 682 E C -0.767 175.830 176.600 -0.006 0.000 0.894 682 E CA 0.190 56.596 56.400 0.010 0.000 0.746 682 E CB 1.249 30.960 29.700 0.018 0.000 1.129 682 E HN 0.354 8.714 8.360 -0.000 0.000 0.416 683 A N 2.881 125.687 122.820 -0.024 0.000 2.540 683 A HA 0.292 4.645 4.320 0.056 0.000 0.291 683 A C -1.357 176.187 177.584 -0.067 0.000 1.083 683 A CA -0.742 51.273 52.037 -0.035 0.000 0.650 683 A CB 0.865 19.849 19.000 -0.027 0.000 1.292 683 A HN 0.644 8.794 8.150 -0.000 0.000 0.435 684 c N 1.505 120.069 118.600 -0.060 0.000 2.464 684 c HA 0.551 5.154 4.570 0.056 0.000 0.370 684 c C 1.854 175.866 174.090 -0.128 0.000 1.267 684 c CA 0.267 56.550 56.329 -0.076 0.000 1.781 684 c CB -0.684 41.822 42.510 -0.008 0.000 2.431 684 c HN 1.783 10.013 8.230 -0.000 0.000 0.556 685 A N 4.883 127.533 122.820 -0.285 0.000 2.255 685 A HA 0.045 4.398 4.320 0.056 0.000 0.218 685 A C 0.481 177.680 177.584 -0.642 0.000 1.175 685 A CA 1.315 53.054 52.037 -0.497 0.000 0.682 685 A CB -0.442 18.144 19.000 -0.690 0.000 0.784 685 A HN 0.824 8.974 8.150 -0.000 0.000 0.482 686 F N 0.000 119.937 119.950 -0.022 0.000 2.286 686 F HA 0.000 4.560 4.527 0.055 0.000 0.279 686 F CA 0.000 57.987 58.000 -0.022 0.000 1.383 686 F CB 0.000 38.981 39.000 -0.032 0.000 1.145 686 F HN 0.000 8.300 8.300 -0.000 0.000 0.574