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 3a5i_1_A DATA FIRST_RESID 347 DATA SEQUENCE NSVVEATWND VQLEDSLGME VGYRLIPMVD FQQDGELLGR IRSIRKKFAQ DATA SEQUENCE DMGFLPPVVH IRDNMDLQPA RYRILMKGVE IGSGDAYPGR WLAINPGTAA DATA SEQUENCE GTLPGEKTVD PAFGLDAIWI ESALKEQAQI QGFTVVEAST VVATHLNHLI DATA SEQUENCE GQFSAELFGR QEAQQLLDRV SQEMPKLTED LVPGVVTLTT LHKVLQNLLA DATA SEQUENCE EKVPIRDMRT ILETLAEHAP LQSDPHELTA VVRVALGRAI TQQWFPGNEE DATA SEQUENCE VQVIGLDTAL ERLLLQALQG GGGLEPGLAD RLLAQTQEAL SRQEMLGAPP DATA SEQUENCE VLLVNHALRP LLSRFLRRSL PQLVVLSNLE LSDNRHIRMT ATIGGK 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 347 N HA 0.000 nan 4.740 nan 0.000 0.220 347 N C 0.000 175.500 175.510 -0.017 0.000 1.280 347 N CA 0.000 53.041 53.050 -0.015 0.000 0.885 347 N CB 0.000 38.478 38.487 -0.015 0.000 1.341 348 S N 1.337 117.025 115.700 -0.019 0.000 2.681 348 S HA 0.270 4.740 4.470 -0.000 0.000 0.313 348 S C 1.596 176.184 174.600 -0.019 0.000 1.137 348 S CA -0.426 57.761 58.200 -0.021 0.000 1.045 348 S CB -0.822 62.362 63.200 -0.027 0.000 1.208 348 S HN 0.354 nan 8.310 nan 0.000 0.523 349 V N 5.115 125.019 119.914 -0.016 0.000 2.232 349 V HA -0.194 3.926 4.120 -0.000 0.000 0.254 349 V C 1.766 177.852 176.094 -0.014 0.000 1.058 349 V CA 2.270 64.561 62.300 -0.014 0.000 1.048 349 V CB -0.965 30.851 31.823 -0.013 0.000 0.668 349 V HN 0.676 nan 8.190 nan 0.000 0.462 350 V N -0.292 119.613 119.914 -0.016 0.000 3.214 350 V HA 0.300 4.419 4.120 -0.000 0.000 0.306 350 V C 0.326 176.408 176.094 -0.020 0.000 1.078 350 V CA -0.530 61.760 62.300 -0.015 0.000 1.077 350 V CB 1.639 33.453 31.823 -0.014 0.000 1.121 350 V HN 0.674 nan 8.190 nan 0.000 0.468 351 E N 2.621 122.810 120.200 -0.018 0.000 2.349 351 E HA 0.569 4.918 4.350 -0.000 0.000 0.262 351 E C -0.212 176.368 176.600 -0.034 0.000 1.088 351 E CA 0.176 56.562 56.400 -0.024 0.000 0.899 351 E CB 1.292 30.983 29.700 -0.016 0.000 1.044 351 E HN 0.978 nan 8.360 nan 0.000 0.420 352 A N 2.528 125.317 122.820 -0.051 0.000 2.363 352 A HA 0.535 4.855 4.320 -0.000 0.000 0.270 352 A C 0.037 177.568 177.584 -0.088 0.000 1.121 352 A CA 0.265 52.254 52.037 -0.080 0.000 0.800 352 A CB -0.038 18.897 19.000 -0.108 0.000 1.052 352 A HN 0.719 nan 8.150 nan 0.000 0.493 353 T N -1.999 112.498 114.554 -0.095 0.000 2.716 353 T HA 0.433 4.782 4.350 -0.000 0.000 0.286 353 T C 0.229 174.845 174.700 -0.140 0.000 1.052 353 T CA -0.463 61.601 62.100 -0.059 0.000 1.024 353 T CB 0.415 69.303 68.868 0.035 0.000 1.349 353 T HN 0.543 nan 8.240 nan 0.000 0.525 354 W N 0.818 122.109 121.300 -0.015 0.000 2.525 354 W HA 0.160 4.820 4.660 -0.001 0.000 0.259 354 W C 1.680 178.188 176.519 -0.019 0.000 1.253 354 W CA 0.163 57.498 57.345 -0.017 0.000 1.262 354 W CB -0.399 29.052 29.460 -0.016 0.000 1.122 354 W HN 0.574 nan 8.180 nan 0.000 0.607 355 N N 0.110 118.886 118.700 0.126 0.000 2.515 355 N HA -0.088 4.652 4.740 -0.000 0.000 0.191 355 N C 0.489 176.005 175.510 0.010 0.000 1.182 355 N CA 0.898 53.990 53.050 0.069 0.000 0.879 355 N CB -0.206 38.310 38.487 0.049 0.000 0.984 355 N HN 0.188 nan 8.380 nan 0.000 0.453 356 D N -0.304 120.074 120.400 -0.036 0.000 2.349 356 D HA 0.076 4.716 4.640 -0.000 0.000 0.214 356 D C -0.107 176.145 176.300 -0.080 0.000 1.063 356 D CA 0.158 54.115 54.000 -0.070 0.000 0.847 356 D CB 0.958 41.692 40.800 -0.111 0.000 0.933 356 D HN -0.091 nan 8.370 nan 0.000 0.513 357 V N 2.525 122.404 119.914 -0.059 0.000 2.406 357 V HA 0.124 4.244 4.120 -0.000 0.000 0.272 357 V C 0.194 176.288 176.094 -0.000 0.000 1.043 357 V CA -0.396 61.882 62.300 -0.037 0.000 0.915 357 V CB 1.508 33.349 31.823 0.029 0.000 0.988 357 V HN -0.065 nan 8.190 nan 0.000 0.466 358 Q N 4.340 124.129 119.800 -0.020 0.000 2.303 358 Q HA 0.433 4.772 4.340 -0.000 0.000 0.257 358 Q C -0.793 175.190 176.000 -0.028 0.000 0.941 358 Q CA -0.796 54.992 55.803 -0.025 0.000 0.931 358 Q CB 1.934 30.651 28.738 -0.035 0.000 1.215 358 Q HN 0.458 nan 8.270 nan 0.000 0.437 359 L N 2.159 123.361 121.223 -0.035 0.000 2.397 359 L HA 0.134 4.474 4.340 -0.000 0.000 0.271 359 L C 0.747 177.572 176.870 -0.075 0.000 1.148 359 L CA 0.059 54.874 54.840 -0.042 0.000 0.825 359 L CB 0.246 42.282 42.059 -0.039 0.000 1.117 359 L HN 0.487 nan 8.230 nan 0.000 0.456 360 E N 1.643 121.806 120.200 -0.062 0.000 2.438 360 E HA 0.043 4.392 4.350 -0.000 0.000 0.261 360 E C -0.946 175.591 176.600 -0.104 0.000 1.103 360 E CA 0.285 56.642 56.400 -0.072 0.000 0.959 360 E CB 0.414 30.084 29.700 -0.050 0.000 0.958 360 E HN 0.411 nan 8.360 nan 0.000 0.447 361 D N 1.515 121.850 120.400 -0.108 0.000 2.198 361 D HA 0.150 4.790 4.640 -0.000 0.000 0.247 361 D C 0.403 176.673 176.300 -0.050 0.000 1.010 361 D CA -0.377 53.550 54.000 -0.121 0.000 0.880 361 D CB 1.841 42.558 40.800 -0.138 0.000 1.209 361 D HN 0.321 nan 8.370 nan 0.000 0.451 362 S N 0.574 116.263 115.700 -0.018 0.000 2.348 362 S HA -0.028 4.441 4.470 -0.000 0.000 0.221 362 S C 0.918 175.515 174.600 -0.004 0.000 1.033 362 S CA 0.649 58.847 58.200 -0.003 0.000 1.010 362 S CB 0.122 63.336 63.200 0.023 0.000 0.891 362 S HN 0.378 nan 8.310 nan 0.000 0.442 363 L N 0.285 121.524 121.223 0.027 0.000 2.386 363 L HA 0.690 5.030 4.340 -0.000 0.000 0.271 363 L C -0.250 176.645 176.870 0.041 0.000 0.993 363 L CA -0.519 54.324 54.840 0.005 0.000 0.819 363 L CB 1.981 44.039 42.059 -0.002 0.000 1.294 363 L HN 0.321 nan 8.230 nan 0.000 0.414 364 G N 3.241 112.044 108.800 0.005 0.000 2.692 364 G HA2 0.633 4.592 3.960 -0.000 0.000 0.291 364 G HA3 0.633 4.592 3.960 -0.000 0.000 0.291 364 G C -2.040 172.861 174.900 0.002 0.000 1.423 364 G CA -0.526 44.594 45.100 0.033 0.000 0.843 364 G HN 0.468 nan 8.290 nan 0.000 0.486 365 M N 0.747 120.357 119.600 0.017 0.000 2.326 365 M HA 0.550 5.029 4.480 -0.000 0.000 0.292 365 M C -1.425 174.896 176.300 0.035 0.000 1.081 365 M CA -0.526 54.783 55.300 0.014 0.000 0.919 365 M CB 2.441 35.031 32.600 -0.016 0.000 1.634 365 M HN 0.505 nan 8.290 nan 0.000 0.451 366 E N 2.275 122.502 120.200 0.046 0.000 2.191 366 E HA 0.615 4.965 4.350 -0.000 0.000 0.278 366 E C -1.685 174.954 176.600 0.064 0.000 0.972 366 E CA -0.568 55.859 56.400 0.046 0.000 0.804 366 E CB 2.657 32.376 29.700 0.030 0.000 1.110 366 E HN 0.489 nan 8.360 nan 0.000 0.394 367 V N 2.791 122.737 119.914 0.053 0.000 2.735 367 V HA 0.611 4.731 4.120 -0.000 0.000 0.310 367 V C 0.276 176.389 176.094 0.031 0.000 1.061 367 V CA -0.426 61.904 62.300 0.050 0.000 0.913 367 V CB 1.962 33.803 31.823 0.030 0.000 1.005 367 V HN 0.793 nan 8.190 nan 0.000 0.428 368 G N 3.372 112.169 108.800 -0.005 0.000 2.699 368 G HA2 0.068 4.028 3.960 -0.000 0.000 0.246 368 G HA3 0.068 4.028 3.960 -0.000 0.000 0.246 368 G C 0.366 175.253 174.900 -0.020 0.000 1.219 368 G CA 0.685 45.765 45.100 -0.033 0.000 0.866 368 G HN 1.103 nan 8.290 nan 0.000 0.572 369 Y N -1.218 119.069 120.300 -0.022 0.000 2.373 369 Y HA 0.089 4.639 4.550 -0.000 0.000 0.293 369 Y C 2.573 178.455 175.900 -0.031 0.000 1.129 369 Y CA 0.833 58.920 58.100 -0.021 0.000 1.226 369 Y CB -0.118 38.333 38.460 -0.015 0.000 1.000 369 Y HN 0.371 nan 8.280 nan 0.000 0.549 370 R N -0.085 120.052 120.500 -0.606 0.000 2.235 370 R HA 0.012 4.352 4.340 -0.000 0.000 0.213 370 R C 0.897 177.079 176.300 -0.196 0.000 1.059 370 R CA 0.779 56.639 56.100 -0.399 0.000 0.997 370 R CB -0.099 29.915 30.300 -0.476 0.000 0.884 370 R HN 0.340 nan 8.270 nan 0.000 0.462 371 L N -0.046 121.080 121.223 -0.163 0.000 2.607 371 L HA 0.107 4.446 4.340 -0.000 0.000 0.228 371 L C 1.588 178.410 176.870 -0.080 0.000 1.123 371 L CA 0.677 55.452 54.840 -0.108 0.000 0.890 371 L CB 0.107 42.117 42.059 -0.082 0.000 1.103 371 L HN 0.101 nan 8.230 nan 0.000 0.468 372 I N 0.289 120.825 120.570 -0.058 0.000 2.315 372 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 372 I C -0.356 175.686 176.117 -0.125 0.000 1.117 372 I CA 0.993 62.253 61.300 -0.066 0.000 1.404 372 I CB -1.189 36.798 38.000 -0.022 0.000 1.071 372 I HN 0.240 nan 8.210 nan 0.000 0.419 373 P HA -0.218 nan 4.420 nan 0.000 0.214 373 P C 1.963 179.185 177.300 -0.130 0.000 1.163 373 P CA 1.742 64.772 63.100 -0.117 0.000 0.883 373 P CB -0.161 31.492 31.700 -0.078 0.000 0.788 374 M N -2.282 117.252 119.600 -0.111 0.000 2.159 374 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 374 M C 1.706 177.937 176.300 -0.114 0.000 1.063 374 M CA 1.995 57.231 55.300 -0.106 0.000 1.110 374 M CB -1.424 31.116 32.600 -0.101 0.000 1.374 374 M HN -0.281 nan 8.290 nan 0.000 0.411 375 V N 1.110 120.951 119.914 -0.122 0.000 3.646 375 V HA 0.009 4.129 4.120 -0.000 0.000 0.277 375 V C 0.143 176.130 176.094 -0.178 0.000 1.274 375 V CA 0.380 62.612 62.300 -0.113 0.000 1.164 375 V CB -0.902 30.874 31.823 -0.079 0.000 0.926 375 V HN 0.410 nan 8.190 nan 0.000 0.442 376 D N -0.328 119.901 120.400 -0.286 0.000 2.389 376 D HA 0.039 4.679 4.640 -0.000 0.000 0.247 376 D C 1.100 177.128 176.300 -0.453 0.000 1.128 376 D CA -0.132 53.507 54.000 -0.603 0.000 0.884 376 D CB 0.993 41.462 40.800 -0.551 0.000 1.194 376 D HN 0.259 nan 8.370 nan 0.000 0.441 377 F N 2.052 121.995 119.950 -0.013 0.000 2.039 377 F HA -0.100 4.427 4.527 -0.000 0.000 0.294 377 F C 2.431 178.225 175.800 -0.010 0.000 1.130 377 F CA 0.573 58.565 58.000 -0.014 0.000 1.189 377 F CB -1.207 37.786 39.000 -0.011 0.000 0.983 377 F HN 0.346 nan 8.300 nan 0.000 0.471 378 Q N 0.682 120.646 119.800 0.272 0.000 1.906 378 Q HA -0.244 4.096 4.340 -0.000 0.000 0.221 378 Q C 0.669 176.688 176.000 0.032 0.000 1.021 378 Q CA 2.122 58.028 55.803 0.172 0.000 0.880 378 Q CB -0.593 28.238 28.738 0.155 0.000 0.966 378 Q HN 0.661 nan 8.270 nan 0.000 0.418 379 Q N 2.572 122.341 119.800 -0.053 0.000 2.244 379 Q HA 0.036 4.376 4.340 -0.000 0.000 0.278 379 Q C -0.624 175.340 176.000 -0.060 0.000 1.093 379 Q CA -0.193 55.576 55.803 -0.057 0.000 0.916 379 Q CB 0.070 28.755 28.738 -0.089 0.000 1.159 379 Q HN 0.122 nan 8.270 nan 0.000 0.384 380 D N 3.294 123.677 120.400 -0.028 0.000 3.061 380 D HA -0.078 4.562 4.640 -0.000 0.000 0.226 380 D C -0.145 176.125 176.300 -0.050 0.000 1.168 380 D CA 0.751 54.736 54.000 -0.025 0.000 0.822 380 D CB 0.305 41.095 40.800 -0.016 0.000 1.152 380 D HN 0.668 nan 8.370 nan 0.000 0.555 381 G N 3.614 112.380 108.800 -0.057 0.000 2.372 381 G HA2 0.130 4.090 3.960 -0.000 0.000 0.286 381 G HA3 0.130 4.090 3.960 -0.000 0.000 0.286 381 G C 0.678 175.542 174.900 -0.061 0.000 1.153 381 G CA -0.411 44.642 45.100 -0.078 0.000 0.985 381 G HN 0.721 nan 8.290 nan 0.000 0.429 382 E N 2.161 122.321 120.200 -0.065 0.000 2.086 382 E HA -0.220 4.130 4.350 -0.000 0.000 0.200 382 E C 2.051 178.615 176.600 -0.060 0.000 1.012 382 E CA 0.980 57.344 56.400 -0.059 0.000 0.812 382 E CB 0.021 29.678 29.700 -0.072 0.000 0.743 382 E HN 0.612 nan 8.360 nan 0.000 0.453 383 L N 0.527 121.706 121.223 -0.073 0.000 2.109 383 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 383 L C 2.380 179.212 176.870 -0.063 0.000 1.086 383 L CA 0.592 55.386 54.840 -0.077 0.000 0.760 383 L CB -0.117 41.883 42.059 -0.098 0.000 0.910 383 L HN 0.298 nan 8.230 nan 0.000 0.437 384 L N -0.683 120.506 121.223 -0.056 0.000 2.013 384 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 384 L C 2.580 179.431 176.870 -0.033 0.000 1.073 384 L CA 1.685 56.500 54.840 -0.042 0.000 0.753 384 L CB -1.367 40.675 42.059 -0.030 0.000 0.890 384 L HN 0.363 nan 8.230 nan 0.000 0.432 385 G N -0.553 108.231 108.800 -0.028 0.000 2.408 385 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.217 385 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.217 385 G C 1.748 176.638 174.900 -0.018 0.000 1.150 385 G CA 0.304 45.392 45.100 -0.019 0.000 0.776 385 G HN 0.275 nan 8.290 nan 0.000 0.542 386 R N -0.134 120.351 120.500 -0.025 0.000 2.081 386 R HA 0.043 4.383 4.340 -0.000 0.000 0.235 386 R C 2.547 178.834 176.300 -0.021 0.000 1.131 386 R CA 1.113 57.202 56.100 -0.020 0.000 0.960 386 R CB -0.382 29.902 30.300 -0.028 0.000 0.856 386 R HN 0.378 nan 8.270 nan 0.000 0.436 387 I N 0.241 120.790 120.570 -0.036 0.000 2.286 387 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 387 I C 2.526 178.625 176.117 -0.029 0.000 1.115 387 I CA 1.243 62.518 61.300 -0.042 0.000 1.392 387 I CB -0.271 37.694 38.000 -0.058 0.000 1.065 387 I HN 0.159 nan 8.210 nan 0.000 0.418 388 R N 0.332 120.819 120.500 -0.022 0.000 2.081 388 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 388 R C 2.552 178.851 176.300 -0.002 0.000 1.131 388 R CA 1.662 57.754 56.100 -0.013 0.000 0.960 388 R CB -0.172 30.122 30.300 -0.010 0.000 0.856 388 R HN 0.292 nan 8.270 nan 0.000 0.436 389 S N 0.895 116.596 115.700 0.001 0.000 2.356 389 S HA -0.105 4.365 4.470 -0.000 0.000 0.223 389 S C 1.946 176.561 174.600 0.024 0.000 1.032 389 S CA 1.015 59.221 58.200 0.011 0.000 1.005 389 S CB -0.155 63.052 63.200 0.012 0.000 0.867 389 S HN 0.239 nan 8.310 nan 0.000 0.449 390 I N 1.082 121.666 120.570 0.022 0.000 2.208 390 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 390 I C 2.759 178.912 176.117 0.061 0.000 1.097 390 I CA 1.283 62.610 61.300 0.045 0.000 1.363 390 I CB -0.248 37.760 38.000 0.013 0.000 1.051 390 I HN 0.206 nan 8.210 nan 0.000 0.413 391 R N 0.731 121.240 120.500 0.015 0.000 2.073 391 R HA -0.168 4.172 4.340 -0.000 0.000 0.234 391 R C 2.347 178.675 176.300 0.048 0.000 1.134 391 R CA 1.477 57.585 56.100 0.013 0.000 0.952 391 R CB -0.164 30.127 30.300 -0.015 0.000 0.850 391 R HN 0.273 nan 8.270 nan 0.000 0.433 392 K N 0.437 120.856 120.400 0.031 0.000 2.063 392 K HA -0.184 4.135 4.320 -0.000 0.000 0.208 392 K C 2.055 178.669 176.600 0.024 0.000 1.048 392 K CA 1.507 57.809 56.287 0.025 0.000 0.928 392 K CB -0.056 32.453 32.500 0.015 0.000 0.713 392 K HN 0.060 nan 8.250 nan 0.000 0.442 393 K N -0.236 120.185 120.400 0.036 0.000 2.097 393 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 393 K C 1.902 178.486 176.600 -0.028 0.000 1.049 393 K CA 1.233 57.525 56.287 0.010 0.000 0.933 393 K CB -0.118 32.400 32.500 0.030 0.000 0.717 393 K HN 0.025 nan 8.250 nan 0.000 0.442 394 F N 0.684 120.568 119.950 -0.110 0.000 2.163 394 F HA -0.108 4.419 4.527 0.000 0.000 0.297 394 F C 2.175 177.848 175.800 -0.211 0.000 1.094 394 F CA 1.210 59.102 58.000 -0.180 0.000 1.290 394 F CB -0.242 38.613 39.000 -0.242 0.000 1.017 394 F HN -0.010 nan 8.300 nan 0.000 0.483 395 A N -0.218 122.598 122.820 -0.008 0.000 2.070 395 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 395 A C 2.008 179.565 177.584 -0.045 0.000 1.159 395 A CA 1.702 53.721 52.037 -0.030 0.000 0.656 395 A CB -0.723 18.288 19.000 0.019 0.000 0.800 395 A HN 0.643 nan 8.150 nan 0.000 0.453 396 Q N -1.881 117.878 119.800 -0.069 0.000 2.392 396 Q HA 0.044 4.384 4.340 -0.000 0.000 0.219 396 Q C 0.428 176.361 176.000 -0.112 0.000 0.895 396 Q CA 0.789 56.552 55.803 -0.068 0.000 0.929 396 Q CB -0.020 28.690 28.738 -0.047 0.000 1.077 396 Q HN 0.372 nan 8.270 nan 0.000 0.532 397 D N 0.175 120.463 120.400 -0.187 0.000 2.277 397 D HA 0.067 4.707 4.640 -0.000 0.000 0.209 397 D C 1.630 177.764 176.300 -0.277 0.000 0.970 397 D CA 0.798 54.657 54.000 -0.235 0.000 0.874 397 D CB 0.347 40.970 40.800 -0.295 0.000 0.982 397 D HN 0.183 nan 8.370 nan 0.000 0.504 398 M N -1.227 118.166 119.600 -0.346 0.000 2.567 398 M HA 0.286 4.766 4.480 -0.000 0.000 0.261 398 M C 1.088 177.336 176.300 -0.087 0.000 1.180 398 M CA 0.614 55.745 55.300 -0.282 0.000 1.143 398 M CB 0.297 32.613 32.600 -0.472 0.000 1.319 398 M HN 0.135 nan 8.290 nan 0.000 0.490 399 G N 2.066 110.836 108.800 -0.051 0.000 2.135 399 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.183 399 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.183 399 G C -0.237 174.813 174.900 0.250 0.000 1.004 399 G CA 0.064 45.203 45.100 0.066 0.000 0.677 399 G HN 0.530 nan 8.290 nan 0.000 0.512 400 F N -1.848 118.149 119.950 0.078 0.000 2.704 400 F HA 0.643 5.169 4.527 -0.000 0.000 0.312 400 F C -1.353 174.573 175.800 0.210 0.000 1.108 400 F CA -1.808 56.295 58.000 0.171 0.000 1.005 400 F CB 0.496 39.649 39.000 0.254 0.000 1.277 400 F HN 0.233 nan 8.300 nan 0.000 0.445 401 L N 5.923 127.313 121.223 0.277 0.000 2.361 401 L HA 0.593 4.933 4.340 -0.000 0.000 0.278 401 L C -2.312 174.683 176.870 0.208 0.000 1.113 401 L CA -1.519 53.403 54.840 0.137 0.000 0.849 401 L CB 0.251 42.399 42.059 0.148 0.000 1.155 401 L HN 0.498 nan 8.230 nan 0.000 0.452 402 P HA 0.212 nan 4.420 nan 0.000 0.272 402 P C -2.600 174.770 177.300 0.115 0.000 1.230 402 P CA -1.057 62.089 63.100 0.076 0.000 0.788 402 P CB -0.216 31.373 31.700 -0.185 0.000 0.949 403 P HA -0.019 nan 4.420 nan 0.000 0.270 403 P C -0.193 177.133 177.300 0.045 0.000 1.223 403 P CA 0.060 63.218 63.100 0.096 0.000 0.785 403 P CB 0.428 32.187 31.700 0.098 0.000 0.923 404 V N 2.252 122.188 119.914 0.035 0.000 2.901 404 V HA -0.082 4.038 4.120 -0.000 0.000 0.307 404 V C 0.656 176.722 176.094 -0.046 0.000 1.084 404 V CA 0.361 62.635 62.300 -0.044 0.000 1.184 404 V CB 0.761 32.514 31.823 -0.117 0.000 0.941 404 V HN 0.221 nan 8.190 nan 0.000 0.493 405 V N 5.695 125.548 119.914 -0.102 0.000 2.368 405 V HA 0.225 4.345 4.120 -0.000 0.000 0.266 405 V C -0.182 175.841 176.094 -0.118 0.000 1.045 405 V CA -0.573 61.690 62.300 -0.062 0.000 0.899 405 V CB 0.505 32.286 31.823 -0.070 0.000 1.006 405 V HN 0.839 nan 8.190 nan 0.000 0.470 406 H N 4.748 123.809 119.070 -0.016 0.000 2.723 406 H HA 0.510 5.066 4.556 -0.000 0.000 0.294 406 H C -0.106 175.222 175.328 -0.001 0.000 1.079 406 H CA 0.004 56.049 56.048 -0.005 0.000 1.411 406 H CB 0.600 30.358 29.762 -0.006 0.000 1.439 406 H HN 0.540 nan 8.280 nan 0.000 0.474 407 I N 4.891 125.504 120.570 0.071 0.000 2.377 407 I HA 0.447 4.617 4.170 -0.000 0.000 0.293 407 I C -0.150 176.021 176.117 0.089 0.000 0.987 407 I CA -0.712 60.625 61.300 0.063 0.000 1.185 407 I CB 1.060 39.080 38.000 0.032 0.000 1.341 407 I HN 0.570 nan 8.210 nan 0.000 0.455 408 R N 2.687 123.233 120.500 0.076 0.000 2.626 408 R HA 0.508 4.848 4.340 -0.000 0.000 0.274 408 R C -1.771 174.569 176.300 0.066 0.000 1.031 408 R CA -0.976 55.172 56.100 0.079 0.000 0.898 408 R CB 1.393 31.733 30.300 0.066 0.000 1.222 408 R HN 0.568 nan 8.270 nan 0.000 0.455 409 D N 1.388 121.833 120.400 0.074 0.000 2.360 409 D HA 0.127 4.766 4.640 -0.000 0.000 0.242 409 D C -0.356 175.976 176.300 0.054 0.000 1.184 409 D CA -0.489 53.551 54.000 0.066 0.000 0.930 409 D CB 0.557 41.406 40.800 0.080 0.000 1.161 409 D HN 0.561 nan 8.370 nan 0.000 0.447 410 N N 1.064 119.796 118.700 0.053 0.000 2.747 410 N HA 0.002 4.741 4.740 -0.000 0.000 0.262 410 N C -0.022 175.518 175.510 0.049 0.000 1.261 410 N CA -0.415 52.659 53.050 0.040 0.000 0.809 410 N CB 0.971 39.475 38.487 0.028 0.000 1.450 410 N HN 0.312 nan 8.380 nan 0.000 0.560 411 M N 0.708 120.339 119.600 0.051 0.000 2.446 411 M HA -0.048 4.432 4.480 -0.000 0.000 0.263 411 M C 0.296 176.626 176.300 0.049 0.000 1.066 411 M CA 0.902 56.240 55.300 0.063 0.000 1.087 411 M CB -0.690 31.929 32.600 0.031 0.000 1.406 411 M HN 0.344 nan 8.290 nan 0.000 0.459 412 D N 0.292 120.710 120.400 0.029 0.000 2.348 412 D HA 0.044 4.684 4.640 -0.000 0.000 0.216 412 D C 0.429 176.739 176.300 0.017 0.000 0.970 412 D CA 0.386 54.397 54.000 0.018 0.000 0.889 412 D CB 0.064 40.868 40.800 0.007 0.000 0.912 412 D HN 0.187 nan 8.370 nan 0.000 0.524 413 L N 1.365 122.602 121.223 0.024 0.000 2.379 413 L HA 0.162 4.502 4.340 -0.000 0.000 0.269 413 L C 0.329 177.205 176.870 0.011 0.000 1.084 413 L CA -0.555 54.288 54.840 0.005 0.000 0.802 413 L CB 0.952 43.008 42.059 -0.005 0.000 1.175 413 L HN -0.192 nan 8.230 nan 0.000 0.448 414 Q N 3.561 123.345 119.800 -0.026 0.000 2.349 414 Q HA 0.006 4.346 4.340 -0.000 0.000 0.287 414 Q C -1.522 174.428 176.000 -0.084 0.000 1.044 414 Q CA -1.275 54.506 55.803 -0.037 0.000 0.918 414 Q CB 0.042 28.738 28.738 -0.070 0.000 1.242 414 Q HN 0.373 nan 8.270 nan 0.000 0.405 415 P HA -0.224 nan 4.420 nan 0.000 0.218 415 P C 0.302 177.346 177.300 -0.426 0.000 1.152 415 P CA 2.297 65.143 63.100 -0.423 0.000 0.857 415 P CB 0.304 31.719 31.700 -0.476 0.000 0.787 416 A N -2.298 120.334 122.820 -0.314 0.000 2.390 416 A HA 0.164 4.483 4.320 -0.000 0.000 0.232 416 A C 1.192 178.569 177.584 -0.345 0.000 1.233 416 A CA -0.231 51.578 52.037 -0.380 0.000 0.907 416 A CB -0.496 18.165 19.000 -0.564 0.000 0.967 416 A HN 0.040 nan 8.150 nan 0.000 0.512 417 R N 0.021 120.368 120.500 -0.254 0.000 2.560 417 R HA 0.470 4.810 4.340 -0.000 0.000 0.270 417 R C -0.849 175.375 176.300 -0.127 0.000 1.074 417 R CA -0.208 55.741 56.100 -0.251 0.000 1.140 417 R CB 0.363 30.536 30.300 -0.211 0.000 1.073 417 R HN 0.424 nan 8.270 nan 0.000 0.527 418 Y N -0.754 119.492 120.300 -0.089 0.000 2.562 418 Y HA 0.612 5.162 4.550 -0.001 0.000 0.345 418 Y C -1.298 174.577 175.900 -0.041 0.000 1.045 418 Y CA -1.357 56.705 58.100 -0.063 0.000 1.028 418 Y CB 1.409 39.832 38.460 -0.061 0.000 1.297 418 Y HN 0.433 nan 8.280 nan 0.000 0.463 419 R N 2.560 123.165 120.500 0.176 0.000 2.750 419 R HA 0.708 5.048 4.340 -0.000 0.000 0.281 419 R C -1.570 174.800 176.300 0.116 0.000 0.972 419 R CA -1.057 55.097 56.100 0.090 0.000 0.912 419 R CB 2.830 33.136 30.300 0.010 0.000 1.187 419 R HN 0.837 nan 8.270 nan 0.000 0.464 420 I N 3.966 124.563 120.570 0.045 0.000 2.406 420 I HA 0.356 4.525 4.170 -0.000 0.000 0.290 420 I C -0.894 175.176 176.117 -0.078 0.000 0.999 420 I CA -0.793 60.488 61.300 -0.032 0.000 1.124 420 I CB 1.576 39.516 38.000 -0.101 0.000 1.289 420 I HN 0.255 nan 8.210 nan 0.000 0.441 421 L N 6.493 127.670 121.223 -0.077 0.000 2.354 421 L HA 0.639 4.979 4.340 -0.000 0.000 0.269 421 L C -0.460 176.338 176.870 -0.119 0.000 1.005 421 L CA -0.462 54.321 54.840 -0.096 0.000 0.819 421 L CB 1.999 44.024 42.059 -0.057 0.000 1.311 421 L HN 0.563 nan 8.230 nan 0.000 0.423 422 M N 2.429 121.936 119.600 -0.155 0.000 2.190 422 M HA 0.378 4.858 4.480 -0.000 0.000 0.312 422 M C -0.493 175.747 176.300 -0.101 0.000 0.990 422 M CA -0.396 54.814 55.300 -0.150 0.000 0.927 422 M CB 0.921 33.365 32.600 -0.261 0.000 1.571 422 M HN 0.593 nan 8.290 nan 0.000 0.427 423 K N 3.607 123.968 120.400 -0.066 0.000 3.012 423 K HA -0.242 4.078 4.320 -0.000 0.000 0.259 423 K C 0.647 177.218 176.600 -0.049 0.000 0.989 423 K CA 0.852 57.109 56.287 -0.050 0.000 0.728 423 K CB -2.012 30.465 32.500 -0.039 0.000 1.260 423 K HN 1.261 nan 8.250 nan 0.000 0.480 424 G N -1.821 106.947 108.800 -0.052 0.000 2.268 424 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.240 424 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.240 424 G C 0.204 175.076 174.900 -0.047 0.000 1.010 424 G CA 0.042 45.115 45.100 -0.045 0.000 0.618 424 G HN 0.256 nan 8.290 nan 0.000 0.516 425 V N 1.627 121.505 119.914 -0.060 0.000 2.481 425 V HA 0.505 4.625 4.120 -0.000 0.000 0.286 425 V C 0.731 176.774 176.094 -0.086 0.000 1.042 425 V CA -0.433 61.830 62.300 -0.061 0.000 0.928 425 V CB 1.767 33.558 31.823 -0.053 0.000 0.986 425 V HN 0.462 nan 8.190 nan 0.000 0.462 426 E N 3.495 123.656 120.200 -0.065 0.000 2.417 426 E HA 0.095 4.445 4.350 -0.000 0.000 0.261 426 E C 0.634 177.176 176.600 -0.096 0.000 1.000 426 E CA -0.001 56.357 56.400 -0.070 0.000 0.919 426 E CB 0.553 30.229 29.700 -0.039 0.000 0.955 426 E HN 0.729 nan 8.360 nan 0.000 0.455 427 I N 1.183 121.667 120.570 -0.143 0.000 4.227 427 I HA 0.503 4.673 4.170 -0.000 0.000 0.334 427 I C 0.580 176.667 176.117 -0.050 0.000 1.341 427 I CA -0.356 60.833 61.300 -0.184 0.000 1.123 427 I CB 0.963 38.643 38.000 -0.533 0.000 1.097 427 I HN 0.425 nan 8.210 nan 0.000 0.399 428 G N 0.835 109.611 108.800 -0.040 0.000 2.547 428 G HA2 0.580 4.540 3.960 -0.000 0.000 0.291 428 G HA3 0.580 4.540 3.960 -0.000 0.000 0.291 428 G C -1.379 173.541 174.900 0.034 0.000 1.471 428 G CA 0.032 45.148 45.100 0.028 0.000 0.798 428 G HN 0.394 nan 8.290 nan 0.000 0.504 429 S N -1.228 114.543 115.700 0.117 0.000 2.558 429 S HA 0.921 5.391 4.470 -0.000 0.000 0.277 429 S C -0.222 174.265 174.600 -0.187 0.000 1.143 429 S CA 0.124 58.272 58.200 -0.088 0.000 0.865 429 S CB 1.540 64.667 63.200 -0.121 0.000 1.102 429 S HN 2.439 nan 8.310 nan 0.000 0.454 430 G N 0.627 108.924 108.800 -0.838 0.000 2.634 430 G HA2 0.650 4.609 3.960 -0.000 0.000 0.309 430 G HA3 0.650 4.609 3.960 -0.000 0.000 0.309 430 G C -2.331 172.109 174.900 -0.767 0.000 1.299 430 G CA -0.690 44.067 45.100 -0.571 0.000 0.798 430 G HN 0.720 nan 8.290 nan 0.000 0.490 431 D N -0.328 119.886 120.400 -0.310 0.000 2.423 431 D HA 0.659 5.299 4.640 -0.000 0.000 0.235 431 D C -0.570 175.570 176.300 -0.266 0.000 1.011 431 D CA -0.268 53.486 54.000 -0.410 0.000 0.963 431 D CB 2.358 42.814 40.800 -0.573 0.000 1.349 431 D HN 0.800 nan 8.370 nan 0.000 0.508 432 A N 1.565 124.025 122.820 -0.599 0.000 2.509 432 A HA 0.410 4.730 4.320 -0.000 0.000 0.282 432 A C -1.888 175.270 177.584 -0.711 0.000 1.054 432 A CA -0.702 51.055 52.037 -0.466 0.000 0.820 432 A CB 0.219 19.236 19.000 0.028 0.000 1.333 432 A HN 0.454 nan 8.150 nan 0.000 0.409 433 Y N 3.368 123.231 120.300 -0.727 0.000 2.518 433 Y HA 0.353 4.902 4.550 -0.001 0.000 0.344 433 Y C -1.729 174.026 175.900 -0.242 0.000 0.982 433 Y CA -1.926 55.897 58.100 -0.462 0.000 1.234 433 Y CB 0.508 38.643 38.460 -0.541 0.000 1.114 433 Y HN 0.533 nan 8.280 nan 0.000 0.515 434 P HA -0.304 nan 4.420 nan 0.000 0.214 434 P C 1.748 179.022 177.300 -0.044 0.000 1.099 434 P CA 2.670 65.731 63.100 -0.065 0.000 0.976 434 P CB 0.114 31.771 31.700 -0.070 0.000 0.774 435 G N -1.570 107.228 108.800 -0.002 0.000 2.564 435 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 435 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 435 G C 0.800 175.760 174.900 0.099 0.000 1.124 435 G CA 0.549 45.671 45.100 0.037 0.000 0.764 435 G HN 0.264 nan 8.290 nan 0.000 0.550 436 R N -2.107 118.459 120.500 0.109 0.000 2.705 436 R HA 0.638 4.978 4.340 -0.000 0.000 0.246 436 R C -1.311 175.125 176.300 0.227 0.000 1.142 436 R CA -0.604 55.658 56.100 0.269 0.000 1.114 436 R CB 0.821 31.314 30.300 0.322 0.000 1.256 436 R HN 0.260 nan 8.270 nan 0.000 0.536 437 W N 0.293 121.783 121.300 0.317 0.000 2.936 437 W HA 0.468 5.128 4.660 -0.001 0.000 0.338 437 W C -1.264 175.276 176.519 0.034 0.000 1.121 437 W CA -0.627 56.828 57.345 0.183 0.000 1.209 437 W CB 1.114 30.615 29.460 0.068 0.000 1.420 437 W HN 0.197 nan 8.180 nan 0.000 0.516 438 L N 2.976 124.148 121.223 -0.084 0.000 2.295 438 L HA 0.838 5.177 4.340 -0.000 0.000 0.285 438 L C -0.270 176.423 176.870 -0.295 0.000 1.035 438 L CA -0.545 53.928 54.840 -0.610 0.000 0.806 438 L CB 1.069 42.483 42.059 -1.076 0.000 1.214 438 L HN 0.493 nan 8.230 nan 0.000 0.426 439 A N 6.989 129.590 122.820 -0.365 0.000 2.256 439 A HA 0.577 4.897 4.320 -0.000 0.000 0.317 439 A C -0.670 176.666 177.584 -0.412 0.000 1.318 439 A CA -0.455 51.372 52.037 -0.350 0.000 0.894 439 A CB 0.178 18.865 19.000 -0.523 0.000 1.165 439 A HN 0.798 nan 8.150 nan 0.000 0.525 440 I N 2.642 123.106 120.570 -0.177 0.000 2.404 440 I HA 0.333 4.503 4.170 -0.000 0.000 0.293 440 I C -0.378 175.842 176.117 0.173 0.000 0.992 440 I CA -0.747 60.508 61.300 -0.076 0.000 1.149 440 I CB 1.321 39.273 38.000 -0.080 0.000 1.315 440 I HN 0.739 nan 8.210 nan 0.000 0.446 441 N N 7.946 126.799 118.700 0.255 0.000 2.408 441 N HA 0.347 5.087 4.740 -0.000 0.000 0.257 441 N C -2.023 173.536 175.510 0.081 0.000 1.064 441 N CA -1.628 51.607 53.050 0.309 0.000 0.952 441 N CB 1.285 40.004 38.487 0.386 0.000 1.093 441 N HN 0.431 nan 8.380 nan 0.000 0.490 442 P HA 0.144 nan 4.420 nan 0.000 0.237 442 P C 0.550 177.826 177.300 -0.041 0.000 1.178 442 P CA 0.514 63.586 63.100 -0.047 0.000 0.766 442 P CB 0.437 32.096 31.700 -0.068 0.000 0.876 443 G N -1.557 107.228 108.800 -0.025 0.000 2.376 443 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.208 443 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.208 443 G C 1.277 176.146 174.900 -0.051 0.000 1.032 443 G CA 0.542 45.625 45.100 -0.027 0.000 0.641 443 G HN 0.397 nan 8.290 nan 0.000 0.503 444 T N 0.852 115.366 114.554 -0.066 0.000 2.508 444 T HA 0.396 4.746 4.350 -0.000 0.000 0.249 444 T C 1.936 176.560 174.700 -0.126 0.000 1.173 444 T CA 2.056 64.107 62.100 -0.082 0.000 1.275 444 T CB -1.037 67.785 68.868 -0.077 0.000 0.883 444 T HN 2.071 nan 8.240 nan 0.000 0.394 445 A N 2.027 124.740 122.820 -0.179 0.000 2.653 445 A HA 0.441 4.761 4.320 -0.000 0.000 0.227 445 A C 0.549 177.924 177.584 -0.349 0.000 1.066 445 A CA 0.235 52.088 52.037 -0.306 0.000 0.771 445 A CB -1.035 17.679 19.000 -0.477 0.000 0.980 445 A HN 1.531 nan 8.150 nan 0.000 0.507 446 A N 0.370 122.974 122.820 -0.360 0.000 2.485 446 A HA 1.008 5.328 4.320 -0.000 0.000 0.292 446 A C 0.486 177.905 177.584 -0.275 0.000 1.147 446 A CA 0.300 52.177 52.037 -0.266 0.000 0.750 446 A CB 1.163 20.077 19.000 -0.143 0.000 1.331 446 A HN 2.994 nan 8.150 nan 0.000 0.419 447 G N -1.077 107.649 108.800 -0.123 0.000 2.462 447 G HA2 0.455 4.415 3.960 -0.000 0.000 0.685 447 G HA3 0.455 4.415 3.960 -0.000 0.000 0.685 447 G C -0.599 174.373 174.900 0.120 0.000 1.295 447 G CA -0.171 44.915 45.100 -0.024 0.000 0.941 447 G HN 1.440 nan 8.290 nan 0.000 0.554 448 T N 0.161 114.808 114.554 0.156 0.000 2.906 448 T HA 0.750 5.100 4.350 -0.000 0.000 0.295 448 T C 0.049 174.850 174.700 0.168 0.000 1.061 448 T CA -0.502 61.712 62.100 0.189 0.000 1.000 448 T CB 1.586 70.513 68.868 0.099 0.000 1.103 448 T HN 0.673 nan 8.240 nan 0.000 0.486 449 L N 1.800 123.091 121.223 0.112 0.000 2.279 449 L HA 0.506 4.846 4.340 -0.000 0.000 0.262 449 L C -1.683 175.197 176.870 0.016 0.000 1.019 449 L CA -2.332 52.540 54.840 0.053 0.000 0.823 449 L CB 1.463 43.516 42.059 -0.010 0.000 1.358 449 L HN 0.443 nan 8.230 nan 0.000 0.432 450 P HA -0.005 nan 4.420 nan 0.000 0.202 450 P C 0.503 177.807 177.300 0.007 0.000 1.027 450 P CA 0.652 63.759 63.100 0.011 0.000 0.791 450 P CB -0.278 31.430 31.700 0.012 0.000 0.612 451 G N -0.355 108.453 108.800 0.014 0.000 2.427 451 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.967 451 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.967 451 G C -0.402 174.519 174.900 0.036 0.000 1.394 451 G CA -0.006 45.112 45.100 0.030 0.000 0.874 451 G HN 0.453 nan 8.290 nan 0.000 0.501 452 E N 0.464 120.714 120.200 0.083 0.000 2.259 452 E HA 0.371 4.721 4.350 -0.000 0.000 0.281 452 E C -0.303 176.389 176.600 0.153 0.000 1.027 452 E CA -0.574 55.887 56.400 0.101 0.000 0.838 452 E CB 0.858 30.604 29.700 0.077 0.000 1.066 452 E HN 0.306 nan 8.360 nan 0.000 0.401 453 K N 1.754 122.211 120.400 0.095 0.000 2.276 453 K HA 0.359 4.679 4.320 -0.000 0.000 0.283 453 K C 0.008 176.673 176.600 0.110 0.000 1.044 453 K CA -0.237 56.091 56.287 0.068 0.000 0.944 453 K CB 1.563 34.087 32.500 0.040 0.000 1.012 453 K HN 0.384 nan 8.250 nan 0.000 0.472 454 T N 0.150 114.753 114.554 0.082 0.000 2.630 454 T HA 0.581 4.931 4.350 -0.000 0.000 0.300 454 T C -1.642 173.079 174.700 0.034 0.000 1.261 454 T CA -0.697 61.465 62.100 0.103 0.000 1.060 454 T CB 0.810 69.822 68.868 0.240 0.000 1.670 454 T HN 0.149 nan 8.240 nan 0.000 0.473 455 V N 2.417 122.355 119.914 0.039 0.000 2.638 455 V HA 0.424 4.544 4.120 -0.000 0.000 0.306 455 V C -0.711 175.377 176.094 -0.009 0.000 1.052 455 V CA -1.001 61.303 62.300 0.006 0.000 0.885 455 V CB 1.505 33.338 31.823 0.016 0.000 0.999 455 V HN 1.037 nan 8.190 nan 0.000 0.424 456 D N 6.123 126.506 120.400 -0.029 0.000 2.586 456 D HA 0.024 4.664 4.640 -0.000 0.000 0.234 456 D C -1.499 174.772 176.300 -0.049 0.000 1.132 456 D CA -0.276 53.709 54.000 -0.024 0.000 0.860 456 D CB 1.414 42.231 40.800 0.028 0.000 1.159 456 D HN 0.262 nan 8.370 nan 0.000 0.490 457 P HA -0.146 nan 4.420 nan 0.000 0.215 457 P C 0.591 177.650 177.300 -0.402 0.000 1.153 457 P CA 1.797 64.685 63.100 -0.354 0.000 0.853 457 P CB 0.076 31.444 31.700 -0.554 0.000 0.788 458 A N -0.724 121.915 122.820 -0.301 0.000 1.935 458 A HA -0.090 4.229 4.320 -0.000 0.000 0.211 458 A C 1.874 179.018 177.584 -0.732 0.000 1.388 458 A CA 1.209 52.883 52.037 -0.605 0.000 0.600 458 A CB -1.695 16.922 19.000 -0.638 0.000 1.011 458 A HN 0.031 nan 8.150 nan 0.000 0.481 459 F N -0.268 119.487 119.950 -0.326 0.000 2.126 459 F HA 0.190 4.717 4.527 -0.000 0.000 0.299 459 F C 2.005 177.725 175.800 -0.133 0.000 1.096 459 F CA 1.331 59.209 58.000 -0.204 0.000 1.255 459 F CB -0.809 38.128 39.000 -0.104 0.000 0.997 459 F HN 0.581 nan 8.300 nan 0.000 0.479 460 G N -0.171 108.685 108.800 0.092 0.000 2.151 460 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.156 460 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.156 460 G C -0.374 174.555 174.900 0.048 0.000 1.017 460 G CA -0.707 44.416 45.100 0.038 0.000 0.686 460 G HN 0.133 nan 8.290 nan 0.000 0.503 461 L N 1.241 122.496 121.223 0.054 0.000 2.399 461 L HA 0.513 4.853 4.340 -0.000 0.000 0.266 461 L C 0.763 177.641 176.870 0.013 0.000 1.114 461 L CA -0.636 54.221 54.840 0.028 0.000 0.804 461 L CB 0.535 42.598 42.059 0.007 0.000 1.146 461 L HN 0.118 nan 8.230 nan 0.000 0.451 462 D N 0.884 121.298 120.400 0.022 0.000 2.400 462 D HA 0.500 5.139 4.640 -0.000 0.000 0.238 462 D C -0.284 176.004 176.300 -0.020 0.000 1.157 462 D CA 0.475 54.484 54.000 0.015 0.000 0.889 462 D CB 1.293 42.118 40.800 0.043 0.000 1.199 462 D HN 0.654 nan 8.370 nan 0.000 0.436 463 A N 0.963 123.735 122.820 -0.081 0.000 2.566 463 A HA 0.620 4.940 4.320 -0.000 0.000 0.290 463 A C -1.649 175.785 177.584 -0.250 0.000 1.071 463 A CA -0.571 51.339 52.037 -0.212 0.000 0.658 463 A CB 0.907 19.763 19.000 -0.239 0.000 1.285 463 A HN 0.321 nan 8.150 nan 0.000 0.427 464 I N -0.720 119.619 120.570 -0.384 0.000 2.686 464 I HA 0.512 4.682 4.170 -0.000 0.000 0.295 464 I C -1.298 174.650 176.117 -0.281 0.000 1.114 464 I CA -0.022 61.117 61.300 -0.269 0.000 1.038 464 I CB 1.927 39.755 38.000 -0.287 0.000 1.238 464 I HN 0.696 nan 8.210 nan 0.000 0.420 465 W N 6.829 128.099 121.300 -0.050 0.000 2.361 465 W HA 0.729 5.390 4.660 0.001 0.000 0.309 465 W C -0.052 176.453 176.519 -0.024 0.000 1.122 465 W CA -0.369 56.976 57.345 -0.000 0.000 1.208 465 W CB 1.167 30.638 29.460 0.018 0.000 1.246 465 W HN 0.292 nan 8.180 nan 0.000 0.490 466 I N -0.745 119.969 120.570 0.239 0.000 3.042 466 I HA 0.625 4.795 4.170 -0.000 0.000 0.310 466 I C -0.418 175.823 176.117 0.207 0.000 1.117 466 I CA -1.519 59.871 61.300 0.149 0.000 1.003 466 I CB 1.944 39.978 38.000 0.056 0.000 1.228 466 I HN 0.106 nan 8.210 nan 0.000 0.443 467 E N 1.339 121.618 120.200 0.132 0.000 2.373 467 E HA 0.174 4.524 4.350 -0.000 0.000 0.263 467 E C 1.001 177.691 176.600 0.151 0.000 1.073 467 E CA 0.311 56.798 56.400 0.145 0.000 0.894 467 E CB 1.530 31.276 29.700 0.078 0.000 1.008 467 E HN 0.654 nan 8.360 nan 0.000 0.420 468 S N 2.436 118.265 115.700 0.215 0.000 2.399 468 S HA -0.347 4.123 4.470 -0.000 0.000 0.235 468 S C 1.740 176.308 174.600 -0.052 0.000 1.063 468 S CA 2.020 60.307 58.200 0.145 0.000 1.070 468 S CB -0.348 62.978 63.200 0.209 0.000 0.904 468 S HN 0.587 nan 8.310 nan 0.000 0.456 469 A N 1.649 124.465 122.820 -0.006 0.000 1.836 469 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 469 A C 1.805 179.348 177.584 -0.067 0.000 1.214 469 A CA 1.900 53.917 52.037 -0.034 0.000 0.636 469 A CB -1.269 17.728 19.000 -0.006 0.000 0.847 469 A HN 0.536 nan 8.150 nan 0.000 0.451 470 L N 0.713 121.912 121.223 -0.040 0.000 2.757 470 L HA -0.148 4.191 4.340 -0.000 0.000 0.243 470 L C 2.010 178.832 176.870 -0.080 0.000 1.182 470 L CA 1.775 56.591 54.840 -0.040 0.000 0.851 470 L CB -1.277 40.776 42.059 -0.009 0.000 0.989 470 L HN 0.554 nan 8.230 nan 0.000 0.457 471 K N 0.850 121.149 120.400 -0.169 0.000 2.020 471 K HA -0.255 4.065 4.320 -0.000 0.000 0.212 471 K C 2.023 178.516 176.600 -0.178 0.000 1.050 471 K CA 1.933 58.054 56.287 -0.276 0.000 0.929 471 K CB -0.027 32.135 32.500 -0.563 0.000 0.714 471 K HN 0.633 nan 8.250 nan 0.000 0.443 472 E N 0.601 120.711 120.200 -0.149 0.000 2.033 472 E HA -0.313 4.037 4.350 -0.000 0.000 0.199 472 E C 2.111 178.682 176.600 -0.050 0.000 1.011 472 E CA 1.467 57.809 56.400 -0.096 0.000 0.815 472 E CB -0.570 29.082 29.700 -0.079 0.000 0.755 472 E HN 0.471 nan 8.360 nan 0.000 0.451 473 Q N 0.887 120.668 119.800 -0.031 0.000 2.014 473 Q HA -0.206 4.134 4.340 -0.000 0.000 0.207 473 Q C 2.499 178.523 176.000 0.040 0.000 0.993 473 Q CA 1.800 57.604 55.803 0.002 0.000 0.850 473 Q CB -0.458 28.288 28.738 0.012 0.000 0.916 473 Q HN 0.481 nan 8.270 nan 0.000 0.417 474 A N 1.122 123.984 122.820 0.069 0.000 1.997 474 A HA -0.305 4.015 4.320 -0.000 0.000 0.221 474 A C 1.945 179.629 177.584 0.167 0.000 1.172 474 A CA 2.011 54.163 52.037 0.193 0.000 0.645 474 A CB -0.521 18.537 19.000 0.097 0.000 0.813 474 A HN 0.451 nan 8.150 nan 0.000 0.454 475 Q N -0.700 119.129 119.800 0.048 0.000 2.163 475 Q HA 0.035 4.375 4.340 -0.000 0.000 0.198 475 Q C 2.127 178.119 176.000 -0.013 0.000 0.954 475 Q CA 1.223 57.035 55.803 0.014 0.000 0.851 475 Q CB -0.349 28.374 28.738 -0.025 0.000 0.928 475 Q HN 0.952 nan 8.270 nan 0.000 0.459 476 I N -1.706 118.853 120.570 -0.018 0.000 2.546 476 I HA -0.169 4.001 4.170 -0.000 0.000 0.255 476 I C 1.532 177.617 176.117 -0.052 0.000 1.163 476 I CA 1.210 62.490 61.300 -0.033 0.000 1.457 476 I CB -0.272 37.711 38.000 -0.028 0.000 1.092 476 I HN 0.087 nan 8.210 nan 0.000 0.434 477 Q N 1.384 121.152 119.800 -0.053 0.000 2.444 477 Q HA 0.172 4.512 4.340 -0.000 0.000 0.206 477 Q C 1.599 177.446 176.000 -0.255 0.000 0.948 477 Q CA 0.659 56.386 55.803 -0.127 0.000 0.946 477 Q CB 0.620 29.305 28.738 -0.088 0.000 1.027 477 Q HN 0.857 nan 8.270 nan 0.000 0.513 478 G N 0.593 109.288 108.800 -0.176 0.000 2.313 478 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.215 478 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.215 478 G C 0.094 174.910 174.900 -0.141 0.000 1.023 478 G CA -0.519 44.464 45.100 -0.194 0.000 0.626 478 G HN 0.322 nan 8.290 nan 0.000 0.503 479 F N 2.538 122.461 119.950 -0.045 0.000 2.646 479 F HA 0.322 4.849 4.527 0.000 0.000 0.363 479 F C 1.352 177.121 175.800 -0.051 0.000 1.143 479 F CA 1.003 58.973 58.000 -0.051 0.000 1.356 479 F CB 0.537 39.507 39.000 -0.050 0.000 1.055 479 F HN -0.017 nan 8.300 nan 0.000 0.606 480 T N 3.423 118.084 114.554 0.178 0.000 2.749 480 T HA 0.374 4.724 4.350 -0.000 0.000 0.295 480 T C -0.288 174.449 174.700 0.062 0.000 0.936 480 T CA -0.554 61.589 62.100 0.072 0.000 1.060 480 T CB 0.843 69.723 68.868 0.020 0.000 0.904 480 T HN 0.230 nan 8.240 nan 0.000 0.500 481 V N 5.346 125.299 119.914 0.065 0.000 2.370 481 V HA 0.562 4.682 4.120 -0.000 0.000 0.283 481 V C 0.192 176.409 176.094 0.205 0.000 1.023 481 V CA -0.655 61.702 62.300 0.095 0.000 0.857 481 V CB 1.216 33.063 31.823 0.040 0.000 0.985 481 V HN 0.807 nan 8.190 nan 0.000 0.443 482 V N 2.424 122.473 119.914 0.225 0.000 3.001 482 V HA 0.768 4.887 4.120 -0.000 0.000 0.314 482 V C -0.285 175.925 176.094 0.194 0.000 1.099 482 V CA -0.934 61.501 62.300 0.224 0.000 0.989 482 V CB 2.036 33.900 31.823 0.068 0.000 1.040 482 V HN 0.892 nan 8.190 nan 0.000 0.434 483 E N 2.094 122.224 120.200 -0.118 0.000 2.280 483 E HA 0.643 4.992 4.350 -0.000 0.000 0.264 483 E C 1.149 177.621 176.600 -0.212 0.000 1.064 483 E CA -0.206 55.841 56.400 -0.588 0.000 0.900 483 E CB 1.780 30.844 29.700 -1.060 0.000 1.123 483 E HN 0.907 nan 8.360 nan 0.000 0.418 484 A N 2.152 124.891 122.820 -0.134 0.000 1.896 484 A HA -0.328 3.992 4.320 -0.000 0.000 0.220 484 A C 2.322 179.916 177.584 0.017 0.000 1.206 484 A CA 3.100 55.201 52.037 0.106 0.000 0.647 484 A CB -1.439 17.585 19.000 0.040 0.000 0.828 484 A HN 0.792 nan 8.150 nan 0.000 0.455 485 S N -1.241 114.409 115.700 -0.083 0.000 2.370 485 S HA -0.190 4.280 4.470 -0.000 0.000 0.226 485 S C 1.853 176.416 174.600 -0.062 0.000 1.033 485 S CA 2.128 60.277 58.200 -0.085 0.000 1.011 485 S CB -1.410 61.729 63.200 -0.101 0.000 0.852 485 S HN 0.533 nan 8.310 nan 0.000 0.457 486 T N 2.360 116.882 114.554 -0.053 0.000 2.788 486 T HA -0.039 4.311 4.350 -0.000 0.000 0.268 486 T C 1.904 176.612 174.700 0.014 0.000 1.044 486 T CA 1.368 63.457 62.100 -0.017 0.000 1.139 486 T CB -0.689 68.174 68.868 -0.008 0.000 0.867 486 T HN 0.324 nan 8.240 nan 0.000 0.454 487 V N 1.410 121.344 119.914 0.034 0.000 2.231 487 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 487 V C 2.667 178.806 176.094 0.075 0.000 1.054 487 V CA 1.717 64.065 62.300 0.080 0.000 1.015 487 V CB -1.073 30.859 31.823 0.182 0.000 0.638 487 V HN 0.315 nan 8.190 nan 0.000 0.444 488 V N 0.421 120.330 119.914 -0.008 0.000 2.282 488 V HA -0.334 3.786 4.120 -0.000 0.000 0.249 488 V C 2.755 178.782 176.094 -0.111 0.000 1.057 488 V CA 2.328 64.507 62.300 -0.202 0.000 1.032 488 V CB -1.398 30.169 31.823 -0.428 0.000 0.645 488 V HN 0.591 nan 8.190 nan 0.000 0.447 489 A N -0.546 122.233 122.820 -0.068 0.000 1.908 489 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 489 A C 2.396 179.996 177.584 0.027 0.000 1.181 489 A CA 2.652 54.668 52.037 -0.035 0.000 0.627 489 A CB -1.060 17.927 19.000 -0.021 0.000 0.818 489 A HN 0.513 nan 8.150 nan 0.000 0.445 490 T N -1.657 112.938 114.554 0.068 0.000 2.746 490 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 490 T C 1.812 176.610 174.700 0.164 0.000 1.039 490 T CA 1.602 63.773 62.100 0.118 0.000 1.142 490 T CB -0.436 68.518 68.868 0.143 0.000 0.866 490 T HN 0.762 nan 8.240 nan 0.000 0.444 491 H N 0.178 119.272 119.070 0.039 0.000 2.326 491 H HA 0.020 4.576 4.556 -0.000 0.000 0.301 491 H C 2.412 177.783 175.328 0.071 0.000 1.081 491 H CA 0.748 56.842 56.048 0.078 0.000 1.334 491 H CB -0.120 29.717 29.762 0.124 0.000 1.385 491 H HN 0.114 nan 8.280 nan 0.000 0.504 492 L N 1.462 122.703 121.223 0.030 0.000 2.012 492 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 492 L C 2.131 178.980 176.870 -0.034 0.000 1.073 492 L CA 1.855 56.645 54.840 -0.083 0.000 0.748 492 L CB -1.254 40.733 42.059 -0.120 0.000 0.891 492 L HN 0.516 nan 8.230 nan 0.000 0.431 493 N N -0.833 117.876 118.700 0.015 0.000 2.149 493 N HA -0.301 4.439 4.740 -0.000 0.000 0.188 493 N C 1.951 177.505 175.510 0.073 0.000 1.019 493 N CA 1.632 54.699 53.050 0.029 0.000 0.857 493 N CB -0.116 38.423 38.487 0.087 0.000 0.997 493 N HN 0.526 nan 8.380 nan 0.000 0.426 494 H N 0.764 119.843 119.070 0.015 0.000 2.353 494 H HA 0.027 4.583 4.556 -0.001 0.000 0.300 494 H C 2.218 177.578 175.328 0.054 0.000 1.090 494 H CA 1.498 57.543 56.048 -0.005 0.000 1.327 494 H CB -0.304 29.431 29.762 -0.046 0.000 1.383 494 H HN 0.168 nan 8.280 nan 0.000 0.508 495 L N -0.346 120.877 121.223 0.001 0.000 2.093 495 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 495 L C 2.463 179.359 176.870 0.044 0.000 1.085 495 L CA 1.046 55.904 54.840 0.031 0.000 0.755 495 L CB -0.289 41.779 42.059 0.016 0.000 0.904 495 L HN 0.333 nan 8.230 nan 0.000 0.435 496 I N -0.264 120.245 120.570 -0.103 0.000 2.286 496 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 496 I C 2.580 178.577 176.117 -0.200 0.000 1.115 496 I CA 1.321 62.470 61.300 -0.251 0.000 1.392 496 I CB -0.802 36.828 38.000 -0.616 0.000 1.065 496 I HN 0.288 nan 8.210 nan 0.000 0.418 497 G N 0.043 108.809 108.800 -0.057 0.000 2.414 497 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.215 497 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.215 497 G C 1.536 176.469 174.900 0.055 0.000 1.188 497 G CA 0.695 45.925 45.100 0.217 0.000 0.783 497 G HN 0.384 nan 8.290 nan 0.000 0.537 498 Q N -0.674 119.052 119.800 -0.123 0.000 2.096 498 Q HA -0.068 4.272 4.340 -0.000 0.000 0.204 498 Q C 1.339 177.139 176.000 -0.334 0.000 0.982 498 Q CA 1.281 56.923 55.803 -0.269 0.000 0.850 498 Q CB -0.188 28.303 28.738 -0.410 0.000 0.901 498 Q HN 0.494 nan 8.270 nan 0.000 0.422 499 F N -0.024 119.909 119.950 -0.029 0.000 2.668 499 F HA 0.205 4.732 4.527 0.000 0.000 0.297 499 F C 1.940 177.789 175.800 0.081 0.000 1.124 499 F CA 0.246 58.257 58.000 0.018 0.000 1.353 499 F CB 0.145 39.145 39.000 -0.001 0.000 0.992 499 F HN 0.094 nan 8.300 nan 0.000 0.524 500 S N 1.045 116.881 115.700 0.227 0.000 2.392 500 S HA -0.311 4.159 4.470 -0.000 0.000 0.232 500 S C 2.411 177.230 174.600 0.365 0.000 1.041 500 S CA 1.648 60.064 58.200 0.359 0.000 1.026 500 S CB -0.263 63.197 63.200 0.434 0.000 0.845 500 S HN 0.365 nan 8.310 nan 0.000 0.465 501 A N 1.134 124.083 122.820 0.215 0.000 1.877 501 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 501 A C 2.033 179.733 177.584 0.193 0.000 1.186 501 A CA 1.842 53.969 52.037 0.151 0.000 0.620 501 A CB -0.909 18.137 19.000 0.076 0.000 0.822 501 A HN 0.645 nan 8.150 nan 0.000 0.443 502 E N -0.262 120.066 120.200 0.213 0.000 2.150 502 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 502 E C 1.552 178.271 176.600 0.198 0.000 0.985 502 E CA 0.516 57.041 56.400 0.208 0.000 0.814 502 E CB -0.266 29.584 29.700 0.251 0.000 0.752 502 E HN 0.374 nan 8.360 nan 0.000 0.466 503 L N -0.242 121.128 121.223 0.244 0.000 2.456 503 L HA 0.012 4.352 4.340 -0.000 0.000 0.224 503 L C 0.225 177.228 176.870 0.222 0.000 1.148 503 L CA 0.791 55.770 54.840 0.232 0.000 0.825 503 L CB -0.580 41.655 42.059 0.294 0.000 0.937 503 L HN 0.070 nan 8.230 nan 0.000 0.450 504 F N 0.167 120.110 119.950 -0.012 0.000 2.303 504 F HA 0.581 5.108 4.527 0.000 0.000 0.368 504 F C 0.881 176.707 175.800 0.042 0.000 1.105 504 F CA -0.921 56.940 58.000 -0.233 0.000 1.153 504 F CB 0.085 38.759 39.000 -0.544 0.000 1.362 504 F HN -0.063 nan 8.300 nan 0.000 0.511 505 G N 4.452 113.072 108.800 -0.301 0.000 2.753 505 G HA2 0.221 4.181 3.960 -0.000 0.000 0.285 505 G HA3 0.221 4.181 3.960 -0.000 0.000 0.285 505 G C 0.672 175.267 174.900 -0.508 0.000 1.344 505 G CA -0.753 44.221 45.100 -0.209 0.000 1.050 505 G HN 0.575 nan 8.290 nan 0.000 0.532 506 R N -0.849 119.240 120.500 -0.684 0.000 2.113 506 R HA -0.147 4.193 4.340 -0.000 0.000 0.244 506 R C 2.634 178.732 176.300 -0.336 0.000 1.142 506 R CA 1.906 57.658 56.100 -0.579 0.000 0.953 506 R CB -0.152 29.893 30.300 -0.424 0.000 0.860 506 R HN 0.502 nan 8.270 nan 0.000 0.438 507 Q N 0.172 119.810 119.800 -0.270 0.000 2.096 507 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 507 Q C 1.931 177.809 176.000 -0.203 0.000 0.982 507 Q CA 1.635 57.328 55.803 -0.184 0.000 0.850 507 Q CB -0.107 28.555 28.738 -0.127 0.000 0.901 507 Q HN 0.357 nan 8.270 nan 0.000 0.422 508 E N 0.671 120.670 120.200 -0.334 0.000 2.106 508 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 508 E C 1.807 178.146 176.600 -0.435 0.000 0.984 508 E CA 1.065 57.231 56.400 -0.390 0.000 0.806 508 E CB -0.358 28.944 29.700 -0.664 0.000 0.750 508 E HN 0.362 nan 8.360 nan 0.000 0.458 509 A N 0.967 123.430 122.820 -0.595 0.000 1.834 509 A HA -0.291 4.029 4.320 -0.000 0.000 0.216 509 A C 2.122 179.685 177.584 -0.036 0.000 1.203 509 A CA 1.676 53.599 52.037 -0.191 0.000 0.621 509 A CB -0.720 18.257 19.000 -0.038 0.000 0.841 509 A HN 0.136 nan 8.150 nan 0.000 0.446 510 Q N -0.439 119.320 119.800 -0.069 0.000 2.118 510 Q HA -0.289 4.051 4.340 -0.000 0.000 0.211 510 Q C 2.283 178.284 176.000 0.002 0.000 0.998 510 Q CA 2.350 58.137 55.803 -0.027 0.000 0.872 510 Q CB -0.551 28.159 28.738 -0.048 0.000 0.925 510 Q HN 0.838 nan 8.270 nan 0.000 0.414 511 Q N -0.185 119.611 119.800 -0.007 0.000 2.096 511 Q HA -0.126 4.213 4.340 -0.000 0.000 0.204 511 Q C 2.266 178.312 176.000 0.077 0.000 0.982 511 Q CA 0.859 56.683 55.803 0.034 0.000 0.850 511 Q CB -0.184 28.578 28.738 0.040 0.000 0.901 511 Q HN 0.365 nan 8.270 nan 0.000 0.422 512 L N 0.646 121.938 121.223 0.115 0.000 2.027 512 L HA -0.175 4.164 4.340 -0.000 0.000 0.206 512 L C 2.349 179.284 176.870 0.108 0.000 1.074 512 L CA 0.767 55.702 54.840 0.158 0.000 0.745 512 L CB -0.330 41.881 42.059 0.253 0.000 0.898 512 L HN 0.350 nan 8.230 nan 0.000 0.433 513 L N 0.313 121.590 121.223 0.091 0.000 2.013 513 L HA -0.310 4.030 4.340 -0.000 0.000 0.212 513 L C 2.061 178.961 176.870 0.050 0.000 1.073 513 L CA 2.216 57.095 54.840 0.065 0.000 0.753 513 L CB -1.205 40.885 42.059 0.052 0.000 0.890 513 L HN 0.320 nan 8.230 nan 0.000 0.432 514 D N -0.766 119.661 120.400 0.045 0.000 2.097 514 D HA -0.222 4.418 4.640 -0.000 0.000 0.195 514 D C 2.238 178.563 176.300 0.041 0.000 0.989 514 D CA 1.401 55.423 54.000 0.036 0.000 0.827 514 D CB -0.043 40.775 40.800 0.030 0.000 0.966 514 D HN 0.194 nan 8.370 nan 0.000 0.456 515 R N 0.602 121.134 120.500 0.053 0.000 2.105 515 R HA -0.105 4.234 4.340 -0.000 0.000 0.239 515 R C 1.753 178.082 176.300 0.048 0.000 1.135 515 R CA 1.125 57.257 56.100 0.054 0.000 0.967 515 R CB -0.655 29.688 30.300 0.073 0.000 0.861 515 R HN 0.090 nan 8.270 nan 0.000 0.442 516 V N 0.065 120.010 119.914 0.052 0.000 2.358 516 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 516 V C 2.175 178.289 176.094 0.034 0.000 1.047 516 V CA 2.060 64.386 62.300 0.044 0.000 1.035 516 V CB -0.512 31.339 31.823 0.048 0.000 0.658 516 V HN 0.384 nan 8.190 nan 0.000 0.452 517 S N 0.393 116.113 115.700 0.033 0.000 2.383 517 S HA -0.261 4.209 4.470 -0.000 0.000 0.229 517 S C 1.746 176.360 174.600 0.023 0.000 1.030 517 S CA 1.731 59.947 58.200 0.026 0.000 1.002 517 S CB -0.397 62.818 63.200 0.025 0.000 0.829 517 S HN 0.882 nan 8.310 nan 0.000 0.467 518 Q N 0.172 119.987 119.800 0.025 0.000 2.265 518 Q HA 0.246 4.586 4.340 -0.000 0.000 0.217 518 Q C 0.908 176.921 176.000 0.021 0.000 0.916 518 Q CA 0.353 56.169 55.803 0.022 0.000 0.948 518 Q CB 0.106 28.858 28.738 0.023 0.000 1.020 518 Q HN 0.491 nan 8.270 nan 0.000 0.462 519 E N 0.236 120.449 120.200 0.021 0.000 2.629 519 E HA 0.128 4.478 4.350 -0.000 0.000 0.196 519 E C -0.280 176.331 176.600 0.018 0.000 0.977 519 E CA 0.204 56.615 56.400 0.019 0.000 1.663 519 E CB 0.752 30.465 29.700 0.021 0.000 2.258 519 E HN 0.546 nan 8.360 nan 0.000 1.079 520 M N 0.627 120.238 119.600 0.020 0.000 2.353 520 M HA 0.377 4.856 4.480 -0.000 0.000 0.218 520 M C -2.563 173.748 176.300 0.019 0.000 1.044 520 M CA -1.676 53.635 55.300 0.018 0.000 0.615 520 M CB 1.485 34.097 32.600 0.020 0.000 1.531 520 M HN -0.237 nan 8.290 nan 0.000 0.378 521 P HA -0.181 nan 4.420 nan 0.000 0.216 521 P C 1.101 178.410 177.300 0.015 0.000 1.153 521 P CA 1.503 64.612 63.100 0.016 0.000 0.858 521 P CB 0.027 31.735 31.700 0.013 0.000 0.789 522 K N 0.038 120.446 120.400 0.014 0.000 1.977 522 K HA -0.138 4.181 4.320 -0.000 0.000 0.218 522 K C 2.291 178.900 176.600 0.016 0.000 1.051 522 K CA 1.123 57.418 56.287 0.014 0.000 0.953 522 K CB -1.576 30.931 32.500 0.013 0.000 0.727 522 K HN 0.209 nan 8.250 nan 0.000 0.445 523 L N 0.956 122.190 121.223 0.018 0.000 1.980 523 L HA -0.354 3.986 4.340 -0.000 0.000 0.232 523 L C 2.818 179.702 176.870 0.023 0.000 1.092 523 L CA 2.713 57.565 54.840 0.021 0.000 0.808 523 L CB -1.452 40.621 42.059 0.023 0.000 0.908 523 L HN 0.516 nan 8.230 nan 0.000 0.442 524 T N -3.317 111.252 114.554 0.024 0.000 2.474 524 T HA -0.254 4.096 4.350 -0.000 0.000 0.254 524 T C 1.537 176.250 174.700 0.021 0.000 1.191 524 T CA 1.137 63.252 62.100 0.025 0.000 1.231 524 T CB -0.511 68.373 68.868 0.026 0.000 0.865 524 T HN 0.277 nan 8.240 nan 0.000 0.398 525 E N 2.422 122.633 120.200 0.018 0.000 2.884 525 E HA -0.247 4.103 4.350 -0.000 0.000 0.224 525 E C 1.308 177.916 176.600 0.014 0.000 0.921 525 E CA 2.326 58.734 56.400 0.015 0.000 1.498 525 E CB -1.090 28.618 29.700 0.013 0.000 1.476 525 E HN 0.981 nan 8.360 nan 0.000 0.464 526 D N 0.036 120.445 120.400 0.014 0.000 2.561 526 D HA 0.049 4.688 4.640 -0.000 0.000 0.232 526 D C 1.531 177.841 176.300 0.016 0.000 1.198 526 D CA -0.117 53.891 54.000 0.013 0.000 0.826 526 D CB 0.072 40.878 40.800 0.011 0.000 0.992 526 D HN 0.134 nan 8.370 nan 0.000 0.490 527 L N 0.164 121.398 121.223 0.019 0.000 2.388 527 L HA 0.291 4.631 4.340 -0.000 0.000 0.209 527 L C 0.021 176.905 176.870 0.023 0.000 1.061 527 L CA 0.561 55.415 54.840 0.023 0.000 0.834 527 L CB 0.720 42.795 42.059 0.027 0.000 1.029 527 L HN 0.012 nan 8.230 nan 0.000 0.473 528 V N -0.375 119.552 119.914 0.022 0.000 2.808 528 V HA 0.481 4.600 4.120 -0.000 0.000 0.308 528 V C -2.048 174.055 176.094 0.015 0.000 1.099 528 V CA -1.131 61.181 62.300 0.020 0.000 0.920 528 V CB 1.773 33.611 31.823 0.025 0.000 1.014 528 V HN 0.133 nan 8.190 nan 0.000 0.425 529 P HA 0.182 nan 4.420 nan 0.000 0.242 529 P C 1.274 178.582 177.300 0.013 0.000 1.197 529 P CA 1.008 64.115 63.100 0.012 0.000 0.765 529 P CB 0.099 31.804 31.700 0.007 0.000 0.936 530 G N 0.522 109.330 108.800 0.013 0.000 2.771 530 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.214 530 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.214 530 G C 1.452 176.362 174.900 0.016 0.000 1.331 530 G CA 1.236 46.344 45.100 0.013 0.000 0.812 530 G HN 0.117 nan 8.290 nan 0.000 0.628 531 V N -0.098 119.828 119.914 0.019 0.000 2.346 531 V HA 0.076 4.196 4.120 -0.000 0.000 0.244 531 V C 1.010 177.120 176.094 0.028 0.000 1.037 531 V CA 0.903 63.217 62.300 0.024 0.000 1.029 531 V CB -0.424 31.415 31.823 0.026 0.000 0.663 531 V HN 0.165 nan 8.190 nan 0.000 0.454 532 V N -0.641 119.290 119.914 0.029 0.000 2.628 532 V HA 0.462 4.582 4.120 -0.000 0.000 0.306 532 V C -0.101 176.010 176.094 0.028 0.000 1.045 532 V CA -0.386 61.933 62.300 0.031 0.000 0.905 532 V CB 1.559 33.404 31.823 0.035 0.000 0.997 532 V HN 0.279 nan 8.190 nan 0.000 0.436 533 T N 2.489 117.059 114.554 0.028 0.000 2.922 533 T HA 0.358 4.708 4.350 -0.000 0.000 0.285 533 T C 1.083 175.802 174.700 0.031 0.000 1.005 533 T CA -0.387 61.727 62.100 0.024 0.000 1.061 533 T CB 0.875 69.755 68.868 0.021 0.000 1.007 533 T HN 0.655 nan 8.240 nan 0.000 0.502 534 L N 3.096 124.334 121.223 0.025 0.000 2.081 534 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 534 L C 2.458 179.363 176.870 0.059 0.000 1.080 534 L CA 1.897 56.757 54.840 0.033 0.000 0.754 534 L CB -0.700 41.361 42.059 0.004 0.000 0.893 534 L HN 0.802 nan 8.230 nan 0.000 0.433 535 T N -0.941 113.637 114.554 0.040 0.000 2.635 535 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 535 T C 1.723 176.477 174.700 0.089 0.000 1.040 535 T CA 2.161 64.298 62.100 0.061 0.000 1.156 535 T CB -0.368 68.519 68.868 0.031 0.000 0.863 535 T HN 0.431 nan 8.240 nan 0.000 0.430 536 T N 2.217 116.803 114.554 0.054 0.000 2.788 536 T HA -0.020 4.329 4.350 -0.000 0.000 0.268 536 T C 1.873 176.597 174.700 0.040 0.000 1.044 536 T CA 0.735 62.856 62.100 0.036 0.000 1.139 536 T CB -0.427 68.457 68.868 0.027 0.000 0.867 536 T HN 0.092 nan 8.240 nan 0.000 0.454 537 L N 1.237 122.497 121.223 0.062 0.000 1.994 537 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 537 L C 2.377 179.303 176.870 0.094 0.000 1.071 537 L CA 1.922 56.803 54.840 0.069 0.000 0.745 537 L CB -1.013 41.094 42.059 0.080 0.000 0.892 537 L HN 0.393 nan 8.230 nan 0.000 0.431 538 H N -0.425 118.679 119.070 0.057 0.000 2.319 538 H HA -0.249 4.307 4.556 -0.000 0.000 0.297 538 H C 2.156 177.542 175.328 0.097 0.000 1.097 538 H CA 2.239 58.344 56.048 0.096 0.000 1.285 538 H CB 0.227 29.987 29.762 -0.002 0.000 1.368 538 H HN 0.239 nan 8.280 nan 0.000 0.495 539 K N 0.685 121.037 120.400 -0.081 0.000 2.026 539 K HA -0.071 4.249 4.320 -0.000 0.000 0.208 539 K C 2.437 178.943 176.600 -0.157 0.000 1.048 539 K CA 1.529 57.730 56.287 -0.143 0.000 0.929 539 K CB -0.717 31.750 32.500 -0.055 0.000 0.713 539 K HN 0.167 nan 8.250 nan 0.000 0.439 540 V N 1.142 120.997 119.914 -0.099 0.000 2.255 540 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 540 V C 2.338 178.370 176.094 -0.105 0.000 1.051 540 V CA 1.952 64.200 62.300 -0.088 0.000 1.018 540 V CB -0.442 31.352 31.823 -0.048 0.000 0.641 540 V HN 0.296 nan 8.190 nan 0.000 0.445 541 L N -0.520 120.640 121.223 -0.105 0.000 2.131 541 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 541 L C 2.596 179.298 176.870 -0.281 0.000 1.092 541 L CA 1.783 56.512 54.840 -0.185 0.000 0.759 541 L CB -0.535 41.431 42.059 -0.155 0.000 0.903 541 L HN 0.439 nan 8.230 nan 0.000 0.435 542 Q N 0.460 120.123 119.800 -0.227 0.000 2.046 542 Q HA -0.185 4.155 4.340 -0.000 0.000 0.200 542 Q C 1.918 177.845 176.000 -0.122 0.000 0.975 542 Q CA 1.608 57.301 55.803 -0.183 0.000 0.836 542 Q CB 0.046 28.657 28.738 -0.211 0.000 0.896 542 Q HN 0.568 nan 8.270 nan 0.000 0.428 543 N N -0.161 118.472 118.700 -0.112 0.000 2.223 543 N HA -0.160 4.580 4.740 -0.000 0.000 0.185 543 N C 1.485 176.965 175.510 -0.050 0.000 1.016 543 N CA 0.531 53.541 53.050 -0.068 0.000 0.863 543 N CB 0.071 38.516 38.487 -0.072 0.000 0.983 543 N HN 0.174 nan 8.380 nan 0.000 0.429 544 L N 1.070 122.249 121.223 -0.073 0.000 2.027 544 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 544 L C 2.106 178.955 176.870 -0.035 0.000 1.074 544 L CA 1.289 56.100 54.840 -0.049 0.000 0.745 544 L CB -1.101 40.915 42.059 -0.071 0.000 0.898 544 L HN 0.215 nan 8.230 nan 0.000 0.433 545 L N -0.958 120.217 121.223 -0.080 0.000 2.141 545 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 545 L C 2.653 179.537 176.870 0.022 0.000 1.094 545 L CA 0.917 55.742 54.840 -0.024 0.000 0.763 545 L CB -0.701 41.325 42.059 -0.054 0.000 0.908 545 L HN 0.220 nan 8.230 nan 0.000 0.437 546 A N 0.185 123.005 122.820 0.001 0.000 1.948 546 A HA -0.214 4.105 4.320 -0.000 0.000 0.220 546 A C 1.808 179.406 177.584 0.023 0.000 1.177 546 A CA 1.722 53.766 52.037 0.012 0.000 0.636 546 A CB -0.357 18.643 19.000 -0.000 0.000 0.815 546 A HN 0.536 nan 8.150 nan 0.000 0.449 547 E N -1.604 118.618 120.200 0.036 0.000 2.437 547 E HA 0.228 4.578 4.350 -0.000 0.000 0.195 547 E C -0.250 176.440 176.600 0.149 0.000 1.029 547 E CA -0.226 56.211 56.400 0.063 0.000 0.948 547 E CB 0.349 30.073 29.700 0.040 0.000 1.082 547 E HN 0.359 nan 8.360 nan 0.000 0.456 548 K N -0.662 119.814 120.400 0.127 0.000 3.500 548 K HA -0.135 4.185 4.320 -0.000 0.000 0.313 548 K C -0.397 176.271 176.600 0.114 0.000 1.338 548 K CA 0.459 56.833 56.287 0.146 0.000 0.963 548 K CB -1.820 30.839 32.500 0.265 0.000 1.267 548 K HN 0.066 nan 8.250 nan 0.000 0.448 549 V N 1.944 121.928 119.914 0.116 0.000 2.439 549 V HA 0.169 4.289 4.120 -0.000 0.000 0.271 549 V C -1.832 174.252 176.094 -0.016 0.000 1.040 549 V CA -1.287 61.055 62.300 0.069 0.000 1.002 549 V CB 0.851 32.725 31.823 0.085 0.000 1.000 549 V HN -0.005 nan 8.190 nan 0.000 0.477 550 P HA 0.142 nan 4.420 nan 0.000 0.267 550 P C 0.568 177.836 177.300 -0.055 0.000 1.200 550 P CA 0.063 63.116 63.100 -0.078 0.000 0.772 550 P CB 0.404 32.037 31.700 -0.113 0.000 0.855 551 I N -0.994 119.544 120.570 -0.053 0.000 3.877 551 I HA 0.325 4.494 4.170 -0.000 0.000 0.332 551 I C 1.229 177.334 176.117 -0.021 0.000 1.525 551 I CA -0.216 61.053 61.300 -0.051 0.000 1.146 551 I CB 0.002 37.938 38.000 -0.106 0.000 1.137 551 I HN 0.100 nan 8.210 nan 0.000 0.424 552 R N 0.983 121.470 120.500 -0.022 0.000 2.148 552 R HA -0.078 4.262 4.340 -0.000 0.000 0.227 552 R C 0.576 176.874 176.300 -0.003 0.000 1.103 552 R CA 0.981 57.075 56.100 -0.010 0.000 0.983 552 R CB -0.181 30.103 30.300 -0.027 0.000 0.874 552 R HN 0.363 nan 8.270 nan 0.000 0.451 553 D N 0.585 120.980 120.400 -0.008 0.000 2.845 553 D HA 0.008 4.648 4.640 -0.000 0.000 0.235 553 D C 1.024 177.328 176.300 0.007 0.000 1.158 553 D CA 0.004 54.004 54.000 -0.000 0.000 0.990 553 D CB 0.327 41.126 40.800 -0.003 0.000 1.094 553 D HN -0.046 nan 8.370 nan 0.000 0.486 554 M N 0.390 119.998 119.600 0.013 0.000 2.279 554 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 554 M C 1.984 178.298 176.300 0.022 0.000 1.062 554 M CA 0.923 56.236 55.300 0.021 0.000 1.099 554 M CB -0.620 32.000 32.600 0.032 0.000 1.394 554 M HN 0.357 nan 8.290 nan 0.000 0.426 555 R N -0.269 120.243 120.500 0.020 0.000 2.081 555 R HA -0.122 4.217 4.340 -0.000 0.000 0.235 555 R C 1.875 178.189 176.300 0.022 0.000 1.131 555 R CA 2.038 58.151 56.100 0.021 0.000 0.960 555 R CB -0.200 30.111 30.300 0.018 0.000 0.856 555 R HN 0.262 nan 8.270 nan 0.000 0.436 556 T N 1.325 115.891 114.554 0.019 0.000 2.737 556 T HA -0.071 4.278 4.350 -0.000 0.000 0.265 556 T C 1.887 176.601 174.700 0.024 0.000 1.038 556 T CA 1.587 63.700 62.100 0.021 0.000 1.144 556 T CB -0.139 68.739 68.868 0.017 0.000 0.866 556 T HN 0.190 nan 8.240 nan 0.000 0.434 557 I N 0.873 121.454 120.570 0.018 0.000 2.142 557 I HA -0.151 4.019 4.170 -0.000 0.000 0.240 557 I C 2.334 178.466 176.117 0.026 0.000 1.078 557 I CA 1.313 62.622 61.300 0.015 0.000 1.343 557 I CB -0.452 37.551 38.000 0.006 0.000 1.046 557 I HN 0.182 nan 8.210 nan 0.000 0.405 558 L N 0.184 121.424 121.223 0.029 0.000 2.083 558 L HA -0.211 4.128 4.340 -0.000 0.000 0.209 558 L C 2.487 179.382 176.870 0.042 0.000 1.083 558 L CA 1.467 56.328 54.840 0.035 0.000 0.752 558 L CB -0.620 41.460 42.059 0.034 0.000 0.899 558 L HN 0.319 nan 8.230 nan 0.000 0.433 559 E N -0.496 119.729 120.200 0.041 0.000 2.072 559 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 559 E C 2.105 178.750 176.600 0.075 0.000 0.982 559 E CA 1.613 58.041 56.400 0.048 0.000 0.803 559 E CB -0.026 29.698 29.700 0.040 0.000 0.755 559 E HN 0.431 nan 8.360 nan 0.000 0.453 560 T N 1.692 116.294 114.554 0.080 0.000 2.746 560 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 560 T C 1.947 176.749 174.700 0.171 0.000 1.039 560 T CA 0.795 62.972 62.100 0.128 0.000 1.142 560 T CB -0.128 68.769 68.868 0.048 0.000 0.866 560 T HN 0.086 nan 8.240 nan 0.000 0.444 561 L N 0.719 121.998 121.223 0.094 0.000 2.027 561 L HA -0.030 4.310 4.340 -0.000 0.000 0.206 561 L C 3.111 180.043 176.870 0.103 0.000 1.074 561 L CA 1.144 56.038 54.840 0.090 0.000 0.745 561 L CB -0.775 41.315 42.059 0.052 0.000 0.898 561 L HN 0.240 nan 8.230 nan 0.000 0.433 562 A N -0.182 122.684 122.820 0.077 0.000 1.986 562 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 562 A C 2.251 179.865 177.584 0.050 0.000 1.171 562 A CA 2.153 54.223 52.037 0.055 0.000 0.640 562 A CB -0.487 18.537 19.000 0.041 0.000 0.811 562 A HN 0.544 nan 8.150 nan 0.000 0.451 563 E N -1.424 118.822 120.200 0.077 0.000 2.033 563 E HA -0.176 4.174 4.350 -0.000 0.000 0.189 563 E C 1.738 178.290 176.600 -0.080 0.000 0.979 563 E CA 1.133 57.527 56.400 -0.010 0.000 0.802 563 E CB -0.088 29.597 29.700 -0.026 0.000 0.763 563 E HN 0.783 nan 8.360 nan 0.000 0.449 564 H N -0.390 118.690 119.070 0.017 0.000 2.520 564 H HA 0.297 4.852 4.556 -0.000 0.000 0.279 564 H C 1.763 177.103 175.328 0.019 0.000 0.990 564 H CA 0.739 56.798 56.048 0.019 0.000 1.288 564 H CB -0.049 29.727 29.762 0.023 0.000 1.446 564 H HN 0.269 nan 8.280 nan 0.000 0.538 565 A N 1.849 124.753 122.820 0.141 0.000 1.915 565 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 565 A C -0.099 177.521 177.584 0.061 0.000 1.198 565 A CA 2.059 54.147 52.037 0.084 0.000 0.647 565 A CB -1.527 17.510 19.000 0.062 0.000 0.825 565 A HN 0.322 nan 8.150 nan 0.000 0.456 566 P HA -0.157 nan 4.420 nan 0.000 0.216 566 P C 1.364 178.681 177.300 0.028 0.000 1.154 566 P CA 1.374 64.490 63.100 0.026 0.000 0.865 566 P CB -0.009 31.697 31.700 0.010 0.000 0.789 567 L N -2.709 118.535 121.223 0.035 0.000 2.640 567 L HA 0.322 4.662 4.340 -0.000 0.000 0.230 567 L C 0.039 176.942 176.870 0.055 0.000 1.123 567 L CA 0.597 55.458 54.840 0.036 0.000 0.900 567 L CB -0.169 41.904 42.059 0.024 0.000 1.146 567 L HN -0.205 nan 8.230 nan 0.000 0.484 568 Q N -1.009 118.833 119.800 0.071 0.000 2.334 568 Q HA 0.347 4.687 4.340 -0.000 0.000 0.249 568 Q C 0.082 176.120 176.000 0.064 0.000 0.909 568 Q CA 0.462 56.309 55.803 0.074 0.000 0.823 568 Q CB 1.555 30.354 28.738 0.102 0.000 1.353 568 Q HN 0.205 nan 8.270 nan 0.000 0.433 569 S N 1.292 117.023 115.700 0.051 0.000 2.540 569 S HA 0.148 4.618 4.470 -0.000 0.000 0.222 569 S C 0.353 174.980 174.600 0.044 0.000 1.008 569 S CA -0.096 58.131 58.200 0.044 0.000 0.939 569 S CB 0.181 63.403 63.200 0.038 0.000 0.865 569 S HN 0.572 nan 8.310 nan 0.000 0.499 570 D N 3.452 123.884 120.400 0.053 0.000 2.382 570 D HA 0.257 4.897 4.640 -0.000 0.000 0.259 570 D C -1.758 174.572 176.300 0.051 0.000 1.224 570 D CA -2.030 52.010 54.000 0.067 0.000 0.894 570 D CB 1.308 42.161 40.800 0.089 0.000 1.127 570 D HN -0.001 nan 8.370 nan 0.000 0.487 571 P HA -0.131 nan 4.420 nan 0.000 0.218 571 P C 0.579 177.824 177.300 -0.092 0.000 1.148 571 P CA 1.267 64.329 63.100 -0.062 0.000 0.822 571 P CB 0.131 31.758 31.700 -0.122 0.000 0.784 572 H N -1.461 117.611 119.070 0.003 0.000 2.389 572 H HA -0.089 4.467 4.556 -0.001 0.000 0.299 572 H C 2.013 177.334 175.328 -0.013 0.000 1.081 572 H CA 1.218 57.262 56.048 -0.007 0.000 1.345 572 H CB -0.182 29.576 29.762 -0.006 0.000 1.393 572 H HN 0.064 nan 8.280 nan 0.000 0.520 573 E N 0.712 120.981 120.200 0.116 0.000 2.017 573 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 573 E C 2.184 178.797 176.600 0.021 0.000 0.997 573 E CA 0.777 57.214 56.400 0.062 0.000 0.804 573 E CB -0.357 29.380 29.700 0.061 0.000 0.757 573 E HN 0.333 nan 8.360 nan 0.000 0.448 574 L N 0.307 121.534 121.223 0.008 0.000 2.089 574 L HA -0.288 4.051 4.340 -0.000 0.000 0.213 574 L C 2.395 179.241 176.870 -0.040 0.000 1.079 574 L CA 1.748 56.571 54.840 -0.029 0.000 0.758 574 L CB -1.015 41.037 42.059 -0.012 0.000 0.891 574 L HN 0.225 nan 8.230 nan 0.000 0.433 575 T N -0.094 114.445 114.554 -0.025 0.000 2.720 575 T HA -0.216 4.133 4.350 -0.000 0.000 0.268 575 T C 2.035 176.727 174.700 -0.012 0.000 1.037 575 T CA 1.481 63.565 62.100 -0.026 0.000 1.144 575 T CB -0.261 68.589 68.868 -0.029 0.000 0.864 575 T HN 0.504 nan 8.240 nan 0.000 0.444 576 A N 0.859 123.679 122.820 -0.000 0.000 1.877 576 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 576 A C 2.600 180.214 177.584 0.048 0.000 1.186 576 A CA 1.537 53.586 52.037 0.019 0.000 0.620 576 A CB -1.049 17.952 19.000 0.002 0.000 0.822 576 A HN 0.357 nan 8.150 nan 0.000 0.443 577 V N -0.270 119.632 119.914 -0.019 0.000 2.261 577 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 577 V C 2.567 178.606 176.094 -0.092 0.000 1.047 577 V CA 2.042 64.275 62.300 -0.110 0.000 1.015 577 V CB -0.866 30.740 31.823 -0.360 0.000 0.642 577 V HN 0.372 nan 8.190 nan 0.000 0.446 578 V N -0.137 119.728 119.914 -0.082 0.000 2.568 578 V HA -0.248 3.872 4.120 -0.000 0.000 0.253 578 V C 2.660 178.750 176.094 -0.006 0.000 1.072 578 V CA 1.717 63.991 62.300 -0.043 0.000 1.084 578 V CB -0.897 30.906 31.823 -0.034 0.000 0.676 578 V HN 0.442 nan 8.190 nan 0.000 0.469 579 R N 0.036 120.542 120.500 0.010 0.000 2.075 579 R HA -0.140 4.200 4.340 -0.000 0.000 0.230 579 R C 2.519 178.849 176.300 0.049 0.000 1.140 579 R CA 1.803 57.926 56.100 0.039 0.000 0.928 579 R CB -1.213 29.118 30.300 0.053 0.000 0.834 579 R HN 0.536 nan 8.270 nan 0.000 0.429 580 V N 0.938 120.884 119.914 0.054 0.000 2.332 580 V HA -0.203 3.916 4.120 -0.000 0.000 0.248 580 V C 2.255 178.366 176.094 0.028 0.000 1.055 580 V CA 2.321 64.647 62.300 0.043 0.000 1.038 580 V CB -0.812 31.024 31.823 0.022 0.000 0.651 580 V HN 0.365 nan 8.190 nan 0.000 0.450 581 A N -0.353 122.477 122.820 0.016 0.000 2.032 581 A HA -0.113 4.207 4.320 -0.000 0.000 0.221 581 A C 1.962 179.561 177.584 0.024 0.000 1.165 581 A CA 2.236 54.284 52.037 0.018 0.000 0.645 581 A CB -0.567 18.439 19.000 0.010 0.000 0.807 581 A HN 0.590 nan 8.150 nan 0.000 0.453 582 L N -0.901 120.339 121.223 0.029 0.000 2.640 582 L HA 0.250 4.589 4.340 -0.000 0.000 0.230 582 L C 2.234 179.135 176.870 0.052 0.000 1.123 582 L CA 0.671 55.531 54.840 0.034 0.000 0.900 582 L CB -0.690 41.388 42.059 0.032 0.000 1.146 582 L HN 0.325 nan 8.230 nan 0.000 0.484 583 G N 0.000 108.834 108.800 0.056 0.000 2.547 583 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.221 583 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.221 583 G C 1.818 176.763 174.900 0.076 0.000 1.140 583 G CA 0.858 46.001 45.100 0.073 0.000 0.760 583 G HN 0.345 nan 8.290 nan 0.000 0.583 584 R N 0.387 120.918 120.500 0.052 0.000 2.096 584 R HA 0.035 4.375 4.340 -0.000 0.000 0.235 584 R C 3.027 179.358 176.300 0.052 0.000 1.127 584 R CA 1.190 57.318 56.100 0.046 0.000 0.968 584 R CB -0.328 29.988 30.300 0.027 0.000 0.861 584 R HN 0.390 nan 8.270 nan 0.000 0.440 585 A N 1.061 123.906 122.820 0.042 0.000 1.872 585 A HA -0.074 4.245 4.320 -0.000 0.000 0.214 585 A C 2.141 179.753 177.584 0.047 0.000 1.187 585 A CA 0.942 52.993 52.037 0.023 0.000 0.614 585 A CB -0.366 18.637 19.000 0.004 0.000 0.826 585 A HN 0.146 nan 8.150 nan 0.000 0.442 586 I N -0.313 120.319 120.570 0.104 0.000 2.226 586 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 586 I C 2.595 178.893 176.117 0.302 0.000 1.100 586 I CA 1.757 63.184 61.300 0.213 0.000 1.374 586 I CB -0.549 37.604 38.000 0.254 0.000 1.057 586 I HN 0.262 nan 8.210 nan 0.000 0.413 587 T N -0.404 114.304 114.554 0.256 0.000 2.674 587 T HA -0.259 4.091 4.350 -0.000 0.000 0.265 587 T C 1.833 176.732 174.700 0.330 0.000 1.039 587 T CA 1.441 63.753 62.100 0.354 0.000 1.150 587 T CB -0.267 68.733 68.868 0.220 0.000 0.864 587 T HN 0.208 nan 8.240 nan 0.000 0.427 588 Q N 1.076 120.977 119.800 0.168 0.000 2.234 588 Q HA -0.113 4.227 4.340 -0.000 0.000 0.206 588 Q C 2.179 178.189 176.000 0.018 0.000 0.980 588 Q CA 1.527 57.389 55.803 0.098 0.000 0.869 588 Q CB -0.332 28.430 28.738 0.039 0.000 0.912 588 Q HN 0.631 nan 8.270 nan 0.000 0.436 589 Q N -1.422 118.351 119.800 -0.046 0.000 2.020 589 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 589 Q C 1.126 176.879 176.000 -0.411 0.000 0.982 589 Q CA 1.456 57.074 55.803 -0.308 0.000 0.838 589 Q CB -0.210 28.201 28.738 -0.546 0.000 0.899 589 Q HN 0.566 nan 8.270 nan 0.000 0.423 590 W N -0.921 120.245 121.300 -0.223 0.000 3.197 590 W HA 0.157 4.815 4.660 -0.003 0.000 0.274 590 W C -0.302 175.717 176.519 -0.834 0.000 1.297 590 W CA 0.070 57.085 57.345 -0.551 0.000 1.662 590 W CB 0.407 29.418 29.460 -0.748 0.000 1.106 590 W HN 0.068 nan 8.180 nan 0.000 0.663 591 F N 0.339 120.389 119.950 0.166 0.000 2.646 591 F HA 0.307 4.833 4.527 -0.002 0.000 0.336 591 F C -2.417 173.414 175.800 0.051 0.000 1.437 591 F CA -1.950 56.113 58.000 0.105 0.000 1.142 591 F CB 0.075 39.136 39.000 0.103 0.000 1.530 591 F HN -0.400 nan 8.300 nan 0.000 0.591 592 P HA 0.224 nan 4.420 nan 0.000 0.266 592 P C 0.677 178.025 177.300 0.079 0.000 1.195 592 P CA 0.961 64.100 63.100 0.065 0.000 0.768 592 P CB 0.757 32.464 31.700 0.012 0.000 0.838 593 G N 3.097 111.930 108.800 0.055 0.000 2.782 593 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.228 593 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.228 593 G C 0.166 175.098 174.900 0.053 0.000 1.372 593 G CA -0.143 44.985 45.100 0.047 0.000 0.862 593 G HN 0.656 nan 8.290 nan 0.000 0.547 594 N N 0.781 119.505 118.700 0.040 0.000 2.346 594 N HA 0.068 4.807 4.740 -0.000 0.000 0.225 594 N C 0.849 176.392 175.510 0.055 0.000 1.144 594 N CA 0.822 53.889 53.050 0.028 0.000 0.837 594 N CB -0.033 38.465 38.487 0.018 0.000 1.069 594 N HN 1.031 nan 8.380 nan 0.000 0.487 595 E N 1.123 121.368 120.200 0.075 0.000 2.973 595 E HA -0.052 4.298 4.350 -0.000 0.000 0.279 595 E C -0.147 176.518 176.600 0.107 0.000 1.473 595 E CA -0.327 56.130 56.400 0.095 0.000 1.251 595 E CB 0.152 29.916 29.700 0.107 0.000 1.063 595 E HN 0.284 nan 8.360 nan 0.000 0.685 596 E N 0.311 120.577 120.200 0.110 0.000 2.175 596 E HA 0.227 4.577 4.350 -0.000 0.000 0.278 596 E C -0.657 175.968 176.600 0.043 0.000 0.969 596 E CA -0.936 55.525 56.400 0.101 0.000 0.796 596 E CB 1.633 31.385 29.700 0.086 0.000 1.104 596 E HN 0.289 nan 8.360 nan 0.000 0.395 597 V N 3.996 123.864 119.914 -0.076 0.000 2.370 597 V HA 0.029 4.149 4.120 -0.000 0.000 0.257 597 V C 0.262 176.268 176.094 -0.146 0.000 1.064 597 V CA -0.175 61.942 62.300 -0.304 0.000 0.975 597 V CB -0.429 30.987 31.823 -0.678 0.000 1.067 597 V HN 0.549 nan 8.190 nan 0.000 0.485 598 Q N 4.137 123.960 119.800 0.038 0.000 2.349 598 Q HA 0.568 4.908 4.340 -0.000 0.000 0.254 598 Q C -0.324 175.760 176.000 0.140 0.000 0.980 598 Q CA -0.331 55.521 55.803 0.081 0.000 0.924 598 Q CB 1.780 30.584 28.738 0.110 0.000 1.209 598 Q HN 0.749 nan 8.270 nan 0.000 0.445 599 V N -0.313 119.642 119.914 0.070 0.000 3.126 599 V HA 0.643 4.763 4.120 -0.000 0.000 0.314 599 V C -0.314 175.812 176.094 0.054 0.000 1.138 599 V CA -1.251 61.107 62.300 0.096 0.000 1.034 599 V CB 1.602 33.467 31.823 0.070 0.000 1.075 599 V HN 0.603 nan 8.190 nan 0.000 0.442 600 I N 1.158 121.757 120.570 0.048 0.000 2.499 600 I HA 0.747 4.917 4.170 -0.000 0.000 0.296 600 I C 0.741 176.868 176.117 0.016 0.000 0.992 600 I CA 0.092 61.408 61.300 0.026 0.000 1.297 600 I CB 1.640 39.651 38.000 0.018 0.000 1.410 600 I HN 0.998 nan 8.210 nan 0.000 0.507 601 G N 5.193 113.999 108.800 0.011 0.000 2.612 601 G HA2 0.629 4.588 3.960 -0.000 0.000 0.298 601 G HA3 0.629 4.588 3.960 -0.000 0.000 0.298 601 G C -0.889 174.013 174.900 0.004 0.000 1.336 601 G CA -0.734 44.369 45.100 0.005 0.000 0.953 601 G HN 0.651 nan 8.290 nan 0.000 0.482 602 L N -1.076 120.148 121.223 0.001 0.000 2.569 602 L HA 0.803 5.143 4.340 -0.000 0.000 0.247 602 L C -0.251 176.618 176.870 -0.002 0.000 1.135 602 L CA -0.865 53.974 54.840 -0.001 0.000 0.812 602 L CB 0.955 43.011 42.059 -0.005 0.000 1.431 602 L HN 0.399 nan 8.230 nan 0.000 0.499 603 D N -0.971 119.427 120.400 -0.004 0.000 2.313 603 D HA 0.195 4.835 4.640 -0.000 0.000 0.247 603 D C 0.788 177.084 176.300 -0.007 0.000 1.094 603 D CA -0.076 53.921 54.000 -0.005 0.000 0.925 603 D CB 1.710 42.507 40.800 -0.005 0.000 1.188 603 D HN 0.664 nan 8.370 nan 0.000 0.430 604 T N 1.484 116.035 114.554 -0.005 0.000 2.904 604 T HA -0.019 4.331 4.350 -0.000 0.000 0.267 604 T C 1.622 176.318 174.700 -0.008 0.000 1.059 604 T CA 0.989 63.086 62.100 -0.006 0.000 1.137 604 T CB -0.066 68.799 68.868 -0.004 0.000 0.879 604 T HN 0.470 nan 8.240 nan 0.000 0.467 605 A N 0.998 123.813 122.820 -0.008 0.000 2.021 605 A HA 0.238 4.558 4.320 -0.000 0.000 0.216 605 A C 2.113 179.689 177.584 -0.014 0.000 1.163 605 A CA 0.418 52.449 52.037 -0.010 0.000 0.676 605 A CB -0.471 18.524 19.000 -0.008 0.000 0.818 605 A HN 0.360 nan 8.150 nan 0.000 0.453 606 L N 1.266 122.480 121.223 -0.014 0.000 2.056 606 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 606 L C 2.277 179.131 176.870 -0.026 0.000 1.078 606 L CA 2.682 57.510 54.840 -0.020 0.000 0.749 606 L CB -0.812 41.236 42.059 -0.018 0.000 0.901 606 L HN 0.667 nan 8.230 nan 0.000 0.433 607 E N -1.262 118.926 120.200 -0.021 0.000 2.338 607 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 607 E C 2.069 178.655 176.600 -0.024 0.000 1.007 607 E CA 0.815 57.201 56.400 -0.024 0.000 0.849 607 E CB -0.300 29.391 29.700 -0.015 0.000 0.774 607 E HN 0.491 nan 8.360 nan 0.000 0.506 608 R N 0.508 120.995 120.500 -0.020 0.000 2.075 608 R HA 0.071 4.411 4.340 -0.000 0.000 0.226 608 R C 2.496 178.781 176.300 -0.025 0.000 1.114 608 R CA 0.876 56.965 56.100 -0.019 0.000 0.972 608 R CB -0.288 30.004 30.300 -0.014 0.000 0.869 608 R HN 0.205 nan 8.270 nan 0.000 0.437 609 L N 0.867 122.073 121.223 -0.028 0.000 1.971 609 L HA -0.270 4.070 4.340 -0.000 0.000 0.215 609 L C 2.421 179.264 176.870 -0.046 0.000 1.072 609 L CA 1.623 56.443 54.840 -0.034 0.000 0.758 609 L CB -0.683 41.355 42.059 -0.035 0.000 0.889 609 L HN 0.175 nan 8.230 nan 0.000 0.433 610 L N -0.815 120.375 121.223 -0.055 0.000 1.976 610 L HA -0.251 4.089 4.340 -0.000 0.000 0.209 610 L C 2.561 179.395 176.870 -0.060 0.000 1.071 610 L CA 1.185 55.981 54.840 -0.072 0.000 0.746 610 L CB -0.638 41.372 42.059 -0.082 0.000 0.890 610 L HN 0.221 nan 8.230 nan 0.000 0.432 611 L N -0.540 120.656 121.223 -0.045 0.000 2.081 611 L HA -0.310 4.030 4.340 -0.000 0.000 0.212 611 L C 2.796 179.647 176.870 -0.031 0.000 1.080 611 L CA 1.453 56.273 54.840 -0.035 0.000 0.754 611 L CB -0.148 41.898 42.059 -0.022 0.000 0.893 611 L HN 0.406 nan 8.230 nan 0.000 0.433 612 Q N -0.982 118.799 119.800 -0.030 0.000 1.990 612 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 612 Q C 2.294 178.275 176.000 -0.031 0.000 0.980 612 Q CA 1.512 57.300 55.803 -0.026 0.000 0.832 612 Q CB -0.331 28.393 28.738 -0.023 0.000 0.897 612 Q HN 0.617 nan 8.270 nan 0.000 0.427 613 A N 1.072 123.869 122.820 -0.039 0.000 2.131 613 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 613 A C 1.991 179.547 177.584 -0.047 0.000 1.158 613 A CA 0.819 52.830 52.037 -0.043 0.000 0.665 613 A CB -0.710 18.258 19.000 -0.054 0.000 0.795 613 A HN 0.420 nan 8.150 nan 0.000 0.460 614 L N -0.865 120.328 121.223 -0.049 0.000 2.046 614 L HA -0.278 4.062 4.340 -0.000 0.000 0.208 614 L C 2.761 179.608 176.870 -0.038 0.000 1.077 614 L CA 1.921 56.731 54.840 -0.050 0.000 0.747 614 L CB -0.344 41.686 42.059 -0.049 0.000 0.896 614 L HN 0.528 nan 8.230 nan 0.000 0.432 615 Q N -0.300 119.483 119.800 -0.029 0.000 2.016 615 Q HA -0.048 4.291 4.340 -0.000 0.000 0.200 615 Q C 1.069 177.056 176.000 -0.021 0.000 0.978 615 Q CA 0.869 56.659 55.803 -0.022 0.000 0.833 615 Q CB -0.446 28.283 28.738 -0.016 0.000 0.895 615 Q HN 0.565 nan 8.270 nan 0.000 0.427 616 G N 0.958 109.745 108.800 -0.022 0.000 2.404 616 G HA2 0.369 4.328 3.960 -0.000 0.000 0.289 616 G HA3 0.369 4.328 3.960 -0.000 0.000 0.289 616 G C 0.133 175.020 174.900 -0.022 0.000 1.074 616 G CA 0.269 45.357 45.100 -0.019 0.000 1.210 616 G HN 0.391 nan 8.290 nan 0.000 0.434 617 G N 1.261 110.050 108.800 -0.019 0.000 3.188 617 G HA2 0.207 4.167 3.960 -0.000 0.000 0.683 617 G HA3 0.207 4.167 3.960 -0.000 0.000 0.683 617 G C 0.957 175.841 174.900 -0.027 0.000 1.164 617 G CA -0.062 45.026 45.100 -0.020 0.000 1.059 617 G HN 1.540 nan 8.290 nan 0.000 0.570 618 G N 1.452 110.235 108.800 -0.028 0.000 3.318 618 G HA2 0.571 4.531 3.960 -0.000 0.000 0.230 618 G HA3 0.571 4.531 3.960 -0.000 0.000 0.230 618 G C 0.925 175.805 174.900 -0.033 0.000 1.317 618 G CA 1.060 46.138 45.100 -0.037 0.000 1.197 618 G HN 1.366 nan 8.290 nan 0.000 0.514 619 G N -0.555 108.227 108.800 -0.030 0.000 2.887 619 G HA2 0.756 4.716 3.960 -0.000 0.000 0.277 619 G HA3 0.756 4.716 3.960 -0.000 0.000 0.277 619 G C -0.843 174.033 174.900 -0.040 0.000 1.346 619 G CA -0.992 44.093 45.100 -0.024 0.000 1.058 619 G HN 0.756 nan 8.290 nan 0.000 0.535 620 L N -3.110 118.093 121.223 -0.033 0.000 2.466 620 L HA 0.772 5.112 4.340 -0.000 0.000 0.258 620 L C -1.011 175.841 176.870 -0.030 0.000 0.973 620 L CA -1.071 53.733 54.840 -0.059 0.000 0.826 620 L CB 2.445 44.442 42.059 -0.103 0.000 1.372 620 L HN 0.404 nan 8.230 nan 0.000 0.409 621 E N 1.520 121.697 120.200 -0.039 0.000 2.202 621 E HA 0.516 4.866 4.350 -0.000 0.000 0.272 621 E C -2.291 174.306 176.600 -0.004 0.000 0.951 621 E CA -1.721 54.669 56.400 -0.015 0.000 0.813 621 E CB 1.824 31.514 29.700 -0.018 0.000 1.151 621 E HN 0.518 nan 8.360 nan 0.000 0.398 622 P HA -0.075 nan 4.420 nan 0.000 0.287 622 P C 0.856 178.170 177.300 0.024 0.000 1.282 622 P CA 0.711 63.832 63.100 0.034 0.000 0.804 622 P CB 0.154 31.873 31.700 0.031 0.000 1.323 623 G N -1.560 107.258 108.800 0.030 0.000 5.359 623 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.333 623 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.333 623 G C 1.268 176.184 174.900 0.027 0.000 1.365 623 G CA 0.741 45.855 45.100 0.023 0.000 1.008 623 G HN 0.462 nan 8.290 nan 0.000 0.816 624 L N 1.146 122.375 121.223 0.009 0.000 2.021 624 L HA -0.044 4.295 4.340 -0.000 0.000 0.215 624 L C 3.525 180.414 176.870 0.031 0.000 1.074 624 L CA 2.354 57.192 54.840 -0.004 0.000 0.760 624 L CB -1.151 40.879 42.059 -0.049 0.000 0.889 624 L HN 0.725 nan 8.230 nan 0.000 0.433 625 A N 0.683 123.544 122.820 0.069 0.000 1.870 625 A HA -0.349 3.971 4.320 -0.000 0.000 0.219 625 A C 1.968 179.697 177.584 0.242 0.000 1.286 625 A CA 2.579 54.768 52.037 0.255 0.000 0.682 625 A CB -1.092 18.080 19.000 0.287 0.000 0.844 625 A HN 0.510 nan 8.150 nan 0.000 0.460 626 D N -1.028 119.456 120.400 0.141 0.000 2.221 626 D HA -0.140 4.499 4.640 -0.000 0.000 0.204 626 D C 2.091 178.436 176.300 0.075 0.000 0.982 626 D CA 0.893 54.948 54.000 0.091 0.000 0.857 626 D CB -0.298 40.536 40.800 0.057 0.000 0.934 626 D HN 0.319 nan 8.370 nan 0.000 0.475 627 R N 0.699 121.240 120.500 0.067 0.000 2.082 627 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 627 R C 2.673 179.006 176.300 0.056 0.000 1.136 627 R CA 0.506 56.633 56.100 0.046 0.000 0.935 627 R CB -1.131 29.186 30.300 0.028 0.000 0.842 627 R HN 0.289 nan 8.270 nan 0.000 0.430 628 L N 0.791 122.062 121.223 0.080 0.000 1.943 628 L HA -0.210 4.130 4.340 -0.000 0.000 0.215 628 L C 2.655 179.586 176.870 0.101 0.000 1.074 628 L CA 1.428 56.325 54.840 0.094 0.000 0.759 628 L CB -0.945 41.199 42.059 0.142 0.000 0.888 628 L HN 0.106 nan 8.230 nan 0.000 0.433 629 L N -0.212 121.094 121.223 0.139 0.000 2.123 629 L HA -0.337 4.002 4.340 -0.000 0.000 0.217 629 L C 2.797 179.692 176.870 0.042 0.000 1.081 629 L CA 1.508 56.392 54.840 0.073 0.000 0.772 629 L CB -0.958 41.124 42.059 0.039 0.000 0.890 629 L HN 0.390 nan 8.230 nan 0.000 0.437 630 A N -0.590 122.256 122.820 0.044 0.000 1.832 630 A HA -0.193 4.127 4.320 -0.000 0.000 0.214 630 A C 2.213 179.813 177.584 0.026 0.000 1.204 630 A CA 1.349 53.404 52.037 0.029 0.000 0.606 630 A CB -0.546 18.471 19.000 0.028 0.000 0.849 630 A HN 0.443 nan 8.150 nan 0.000 0.445 631 Q N -0.589 119.228 119.800 0.029 0.000 1.985 631 Q HA -0.177 4.163 4.340 -0.000 0.000 0.207 631 Q C 2.244 178.258 176.000 0.023 0.000 0.996 631 Q CA 2.224 58.041 55.803 0.024 0.000 0.851 631 Q CB -0.872 27.880 28.738 0.023 0.000 0.921 631 Q HN 0.674 nan 8.270 nan 0.000 0.418 632 T N 1.259 115.831 114.554 0.030 0.000 2.594 632 T HA -0.331 4.019 4.350 -0.000 0.000 0.266 632 T C 1.797 176.508 174.700 0.019 0.000 1.070 632 T CA 2.019 64.135 62.100 0.026 0.000 1.166 632 T CB -0.540 68.350 68.868 0.037 0.000 0.862 632 T HN 0.318 nan 8.240 nan 0.000 0.436 633 Q N 0.983 120.794 119.800 0.018 0.000 2.197 633 Q HA -0.223 4.116 4.340 -0.000 0.000 0.211 633 Q C 2.139 178.147 176.000 0.014 0.000 0.993 633 Q CA 2.305 58.117 55.803 0.014 0.000 0.883 633 Q CB -0.268 28.477 28.738 0.012 0.000 0.916 633 Q HN 0.739 nan 8.270 nan 0.000 0.418 634 E N -1.286 118.924 120.200 0.015 0.000 2.072 634 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 634 E C 1.808 178.417 176.600 0.015 0.000 0.985 634 E CA 0.857 57.266 56.400 0.014 0.000 0.801 634 E CB -0.251 29.457 29.700 0.014 0.000 0.750 634 E HN 0.480 nan 8.360 nan 0.000 0.452 635 A N 1.526 124.355 122.820 0.015 0.000 1.883 635 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 635 A C 2.154 179.748 177.584 0.016 0.000 1.186 635 A CA 1.123 53.169 52.037 0.015 0.000 0.624 635 A CB -0.642 18.366 19.000 0.014 0.000 0.822 635 A HN 0.315 nan 8.150 nan 0.000 0.444 636 L N 0.171 121.402 121.223 0.014 0.000 2.043 636 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 636 L C 2.746 179.627 176.870 0.018 0.000 1.075 636 L CA 2.364 57.212 54.840 0.014 0.000 0.752 636 L CB -1.686 40.380 42.059 0.011 0.000 0.891 636 L HN 0.391 nan 8.230 nan 0.000 0.432 637 S N -0.610 115.101 115.700 0.017 0.000 2.382 637 S HA -0.145 4.324 4.470 -0.000 0.000 0.228 637 S C 1.984 176.595 174.600 0.018 0.000 1.027 637 S CA 0.945 59.155 58.200 0.018 0.000 0.991 637 S CB -0.123 63.087 63.200 0.016 0.000 0.823 637 S HN 0.416 nan 8.310 nan 0.000 0.469 638 R N 1.154 121.665 120.500 0.018 0.000 2.080 638 R HA -0.064 4.276 4.340 -0.000 0.000 0.236 638 R C 2.611 178.924 176.300 0.023 0.000 1.137 638 R CA 1.274 57.385 56.100 0.018 0.000 0.943 638 R CB -0.345 29.965 30.300 0.018 0.000 0.846 638 R HN 0.383 nan 8.270 nan 0.000 0.431 639 Q N 0.485 120.300 119.800 0.026 0.000 2.084 639 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 639 Q C 2.035 178.054 176.000 0.032 0.000 0.978 639 Q CA 1.069 56.891 55.803 0.033 0.000 0.844 639 Q CB -0.111 28.648 28.738 0.035 0.000 0.898 639 Q HN 0.313 nan 8.270 nan 0.000 0.426 640 E N 0.636 120.852 120.200 0.027 0.000 2.049 640 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 640 E C 2.044 178.659 176.600 0.025 0.000 1.007 640 E CA 1.295 57.711 56.400 0.027 0.000 0.809 640 E CB -0.229 29.485 29.700 0.024 0.000 0.749 640 E HN 0.391 nan 8.360 nan 0.000 0.450 641 M N -0.024 119.588 119.600 0.022 0.000 2.149 641 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 641 M C 2.438 178.750 176.300 0.021 0.000 1.064 641 M CA 1.226 56.537 55.300 0.019 0.000 1.102 641 M CB -0.333 32.277 32.600 0.016 0.000 1.369 641 M HN 0.048 nan 8.290 nan 0.000 0.408 642 L N -0.729 120.509 121.223 0.025 0.000 2.156 642 L HA 0.005 4.344 4.340 -0.000 0.000 0.208 642 L C 1.632 178.521 176.870 0.033 0.000 1.095 642 L CA 0.952 55.808 54.840 0.028 0.000 0.770 642 L CB -0.674 41.405 42.059 0.032 0.000 0.914 642 L HN 0.646 nan 8.230 nan 0.000 0.439 643 G N -0.658 108.163 108.800 0.036 0.000 2.144 643 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 643 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 643 G C 0.207 175.139 174.900 0.053 0.000 0.988 643 G CA -0.119 45.005 45.100 0.039 0.000 0.659 643 G HN 0.534 nan 8.290 nan 0.000 0.522 644 A N 0.580 123.437 122.820 0.062 0.000 2.279 644 A HA 0.883 5.203 4.320 -0.000 0.000 0.303 644 A C -1.564 176.066 177.584 0.076 0.000 1.108 644 A CA -1.145 50.944 52.037 0.087 0.000 0.830 644 A CB 0.787 19.849 19.000 0.104 0.000 1.106 644 A HN 0.237 nan 8.150 nan 0.000 0.493 645 P HA 0.183 nan 4.420 nan 0.000 0.268 645 P C -2.528 174.777 177.300 0.009 0.000 1.205 645 P CA -1.080 62.038 63.100 0.030 0.000 0.771 645 P CB -0.065 31.595 31.700 -0.067 0.000 0.858 646 P HA 0.038 nan 4.420 nan 0.000 0.269 646 P C -0.322 176.912 177.300 -0.111 0.000 1.601 646 P CA 0.327 63.402 63.100 -0.042 0.000 0.831 646 P CB -0.231 31.451 31.700 -0.030 0.000 1.688 647 V N 1.169 121.023 119.914 -0.100 0.000 2.465 647 V HA 0.206 4.326 4.120 -0.000 0.000 0.279 647 V C 0.251 176.329 176.094 -0.026 0.000 1.045 647 V CA -0.547 61.677 62.300 -0.127 0.000 0.938 647 V CB 1.491 33.301 31.823 -0.022 0.000 0.986 647 V HN -0.002 nan 8.190 nan 0.000 0.467 648 L N 6.505 127.693 121.223 -0.059 0.000 2.318 648 L HA 0.511 4.851 4.340 -0.000 0.000 0.277 648 L C -0.766 176.095 176.870 -0.014 0.000 1.008 648 L CA -0.140 54.687 54.840 -0.023 0.000 0.846 648 L CB 1.179 43.219 42.059 -0.031 0.000 1.220 648 L HN 0.518 nan 8.230 nan 0.000 0.423 649 L N 7.137 128.366 121.223 0.010 0.000 2.290 649 L HA 0.681 5.021 4.340 -0.000 0.000 0.284 649 L C -0.354 176.519 176.870 0.004 0.000 1.078 649 L CA -0.033 54.814 54.840 0.011 0.000 0.815 649 L CB 1.192 43.257 42.059 0.009 0.000 1.162 649 L HN 0.634 nan 8.230 nan 0.000 0.435 650 V N 3.294 123.212 119.914 0.006 0.000 3.165 650 V HA 0.544 4.664 4.120 -0.000 0.000 0.309 650 V C -0.166 175.940 176.094 0.019 0.000 1.267 650 V CA -1.299 61.004 62.300 0.006 0.000 1.067 650 V CB 1.712 33.532 31.823 -0.006 0.000 1.082 650 V HN 0.847 nan 8.190 nan 0.000 0.451 651 N N 0.273 118.984 118.700 0.018 0.000 2.458 651 N HA -0.018 4.722 4.740 -0.000 0.000 0.258 651 N C 0.883 176.428 175.510 0.059 0.000 1.219 651 N CA 0.931 54.005 53.050 0.040 0.000 0.902 651 N CB 0.742 39.244 38.487 0.024 0.000 1.076 651 N HN 1.045 nan 8.380 nan 0.000 0.455 652 H N 3.988 123.054 119.070 -0.007 0.000 2.265 652 H HA -0.181 4.375 4.556 -0.001 0.000 0.293 652 H C 1.769 177.093 175.328 -0.006 0.000 1.089 652 H CA 3.127 59.172 56.048 -0.004 0.000 1.244 652 H CB -0.314 29.447 29.762 -0.002 0.000 1.355 652 H HN 0.757 nan 8.280 nan 0.000 0.485 653 A N 0.260 123.089 122.820 0.016 0.000 2.084 653 A HA -0.129 4.191 4.320 -0.000 0.000 0.221 653 A C 2.541 180.074 177.584 -0.086 0.000 1.161 653 A CA 1.622 53.627 52.037 -0.052 0.000 0.653 653 A CB -0.713 18.293 19.000 0.010 0.000 0.802 653 A HN 0.477 nan 8.150 nan 0.000 0.457 654 L N -2.148 119.035 121.223 -0.067 0.000 2.056 654 L HA -0.082 4.258 4.340 -0.000 0.000 0.202 654 L C 2.596 179.418 176.870 -0.079 0.000 1.086 654 L CA 0.989 55.790 54.840 -0.065 0.000 0.758 654 L CB -0.665 41.367 42.059 -0.043 0.000 0.912 654 L HN 0.368 nan 8.230 nan 0.000 0.446 655 R N 0.016 120.469 120.500 -0.078 0.000 2.346 655 R HA -0.299 4.041 4.340 -0.000 0.000 0.244 655 R C -0.218 176.045 176.300 -0.063 0.000 1.074 655 R CA 3.002 59.059 56.100 -0.071 0.000 0.910 655 R CB -2.104 28.142 30.300 -0.091 0.000 0.970 655 R HN 0.253 nan 8.270 nan 0.000 0.432 656 P HA -0.198 nan 4.420 nan 0.000 0.212 656 P C 1.488 178.777 177.300 -0.019 0.000 1.174 656 P CA 2.259 65.329 63.100 -0.050 0.000 0.934 656 P CB -0.339 31.318 31.700 -0.071 0.000 0.791 657 L N -3.937 117.266 121.223 -0.033 0.000 2.395 657 L HA 0.046 4.385 4.340 -0.000 0.000 0.218 657 L C 2.009 178.895 176.870 0.027 0.000 1.130 657 L CA 1.269 56.104 54.840 -0.008 0.000 0.826 657 L CB -1.107 40.921 42.059 -0.050 0.000 0.941 657 L HN -0.085 nan 8.230 nan 0.000 0.451 658 L N -0.419 120.806 121.223 0.002 0.000 2.313 658 L HA -0.023 4.317 4.340 -0.000 0.000 0.214 658 L C 2.712 179.631 176.870 0.081 0.000 1.119 658 L CA 0.892 55.750 54.840 0.031 0.000 0.809 658 L CB -0.218 41.835 42.059 -0.010 0.000 0.933 658 L HN 0.394 nan 8.230 nan 0.000 0.449 659 S N 0.651 116.378 115.700 0.045 0.000 2.356 659 S HA -0.132 4.338 4.470 -0.000 0.000 0.219 659 S C 2.081 176.713 174.600 0.053 0.000 1.036 659 S CA 0.590 58.808 58.200 0.029 0.000 0.965 659 S CB -0.026 63.172 63.200 -0.003 0.000 0.864 659 S HN 0.462 nan 8.310 nan 0.000 0.471 660 R N -0.679 119.861 120.500 0.067 0.000 2.328 660 R HA 0.002 4.342 4.340 -0.000 0.000 0.207 660 R C 1.711 178.077 176.300 0.109 0.000 1.056 660 R CA 1.235 57.377 56.100 0.071 0.000 1.016 660 R CB -0.475 29.868 30.300 0.072 0.000 0.872 660 R HN 0.530 nan 8.270 nan 0.000 0.471 661 F N 0.542 120.480 119.950 -0.020 0.000 2.399 661 F HA 0.262 4.789 4.527 -0.001 0.000 0.282 661 F C 1.559 177.349 175.800 -0.017 0.000 1.027 661 F CA 0.273 58.263 58.000 -0.017 0.000 1.333 661 F CB 0.224 39.212 39.000 -0.020 0.000 1.132 661 F HN -0.116 nan 8.300 nan 0.000 0.590 662 L N 0.368 121.670 121.223 0.131 0.000 2.478 662 L HA 0.058 4.398 4.340 -0.000 0.000 0.223 662 L C 2.064 178.900 176.870 -0.056 0.000 1.140 662 L CA 0.522 55.371 54.840 0.015 0.000 0.842 662 L CB -0.429 41.694 42.059 0.106 0.000 0.953 662 L HN 0.093 nan 8.230 nan 0.000 0.452 663 R N 0.693 121.164 120.500 -0.048 0.000 2.156 663 R HA 0.015 4.354 4.340 -0.000 0.000 0.207 663 R C 1.619 177.874 176.300 -0.076 0.000 1.040 663 R CA 0.247 56.315 56.100 -0.052 0.000 1.013 663 R CB -0.058 30.223 30.300 -0.032 0.000 0.931 663 R HN 0.379 nan 8.270 nan 0.000 0.465 664 R N 0.447 120.886 120.500 -0.102 0.000 2.526 664 R HA 0.159 4.499 4.340 -0.000 0.000 0.223 664 R C 0.307 176.530 176.300 -0.128 0.000 1.250 664 R CA 0.480 56.516 56.100 -0.106 0.000 1.227 664 R CB 0.162 30.395 30.300 -0.110 0.000 1.109 664 R HN -0.056 nan 8.270 nan 0.000 0.499 665 S N -0.504 115.125 115.700 -0.119 0.000 4.074 665 S HA 0.179 4.648 4.470 -0.000 0.000 0.220 665 S C -0.329 174.232 174.600 -0.065 0.000 1.164 665 S CA -0.449 57.688 58.200 -0.105 0.000 1.020 665 S CB 0.490 63.599 63.200 -0.152 0.000 1.299 665 S HN 0.096 nan 8.310 nan 0.000 0.509 666 L N 4.560 125.748 121.223 -0.060 0.000 2.494 666 L HA 0.384 4.723 4.340 -0.000 0.000 0.251 666 L C -1.943 174.907 176.870 -0.033 0.000 1.119 666 L CA -1.707 53.113 54.840 -0.034 0.000 1.026 666 L CB -0.018 42.026 42.059 -0.025 0.000 1.370 666 L HN 0.193 nan 8.230 nan 0.000 0.426 667 P HA -0.204 nan 4.420 nan 0.000 0.222 667 P C 1.142 178.435 177.300 -0.012 0.000 1.147 667 P CA 0.890 63.971 63.100 -0.031 0.000 0.790 667 P CB 0.456 32.131 31.700 -0.043 0.000 0.780 668 Q N -0.412 119.388 119.800 -0.000 0.000 2.437 668 Q HA -0.057 4.283 4.340 -0.000 0.000 0.210 668 Q C 0.412 176.406 176.000 -0.009 0.000 0.972 668 Q CA 0.112 55.925 55.803 0.017 0.000 0.903 668 Q CB -0.252 28.502 28.738 0.027 0.000 0.967 668 Q HN 0.184 nan 8.270 nan 0.000 0.486 669 L N 1.232 122.433 121.223 -0.037 0.000 2.292 669 L HA 0.279 4.619 4.340 -0.000 0.000 0.284 669 L C -0.968 175.817 176.870 -0.141 0.000 1.065 669 L CA -0.285 54.509 54.840 -0.077 0.000 0.806 669 L CB 1.555 43.582 42.059 -0.053 0.000 1.175 669 L HN -0.204 nan 8.230 nan 0.000 0.431 670 V N 5.736 125.493 119.914 -0.262 0.000 2.481 670 V HA 0.406 4.526 4.120 -0.000 0.000 0.286 670 V C -0.251 175.663 176.094 -0.300 0.000 1.042 670 V CA -0.623 61.408 62.300 -0.448 0.000 0.928 670 V CB 1.586 32.806 31.823 -1.005 0.000 0.986 670 V HN 0.511 nan 8.190 nan 0.000 0.462 671 V N 6.523 126.296 119.914 -0.235 0.000 2.327 671 V HA 0.384 4.504 4.120 -0.000 0.000 0.272 671 V C -0.130 175.899 176.094 -0.108 0.000 1.019 671 V CA -0.254 61.966 62.300 -0.132 0.000 0.814 671 V CB 0.951 32.730 31.823 -0.072 0.000 1.040 671 V HN 0.625 nan 8.190 nan 0.000 0.440 672 L N 2.315 123.483 121.223 -0.091 0.000 2.399 672 L HA 0.632 4.972 4.340 -0.000 0.000 0.265 672 L C 0.664 177.541 176.870 0.012 0.000 1.089 672 L CA -0.113 54.711 54.840 -0.025 0.000 0.802 672 L CB 1.619 43.690 42.059 0.018 0.000 1.180 672 L HN 0.583 nan 8.230 nan 0.000 0.454 673 S N 0.060 115.789 115.700 0.049 0.000 2.608 673 S HA 0.179 4.648 4.470 -0.000 0.000 0.291 673 S C 0.998 175.648 174.600 0.083 0.000 1.146 673 S CA -0.804 57.447 58.200 0.086 0.000 1.043 673 S CB 1.017 64.327 63.200 0.184 0.000 1.037 673 S HN 0.789 nan 8.310 nan 0.000 0.520 674 N N 2.859 121.604 118.700 0.075 0.000 2.364 674 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 674 N C 1.049 176.576 175.510 0.029 0.000 1.022 674 N CA 0.782 53.855 53.050 0.039 0.000 0.883 674 N CB -0.327 38.176 38.487 0.027 0.000 0.965 674 N HN 0.470 nan 8.380 nan 0.000 0.438 675 L N 0.580 121.829 121.223 0.045 0.000 2.627 675 L HA 0.134 4.474 4.340 -0.000 0.000 0.233 675 L C 1.809 178.692 176.870 0.023 0.000 1.144 675 L CA 0.807 55.637 54.840 -0.016 0.000 0.892 675 L CB -0.062 41.896 42.059 -0.169 0.000 1.039 675 L HN 0.125 nan 8.230 nan 0.000 0.442 676 E N -1.644 118.593 120.200 0.061 0.000 2.290 676 E HA 0.121 4.471 4.350 -0.000 0.000 0.199 676 E C 0.232 176.872 176.600 0.066 0.000 0.912 676 E CA -0.328 56.115 56.400 0.072 0.000 0.924 676 E CB 0.461 30.219 29.700 0.097 0.000 0.901 676 E HN -0.025 nan 8.360 nan 0.000 0.487 677 L N 2.405 123.660 121.223 0.053 0.000 2.490 677 L HA 0.079 4.419 4.340 -0.000 0.000 0.274 677 L C 0.016 176.891 176.870 0.008 0.000 1.201 677 L CA 0.715 55.575 54.840 0.033 0.000 0.869 677 L CB 0.686 42.735 42.059 -0.016 0.000 1.123 677 L HN 0.031 nan 8.230 nan 0.000 0.484 678 S N 4.055 119.760 115.700 0.007 0.000 2.558 678 S HA -0.052 4.418 4.470 -0.000 0.000 0.288 678 S C 1.198 175.777 174.600 -0.034 0.000 1.318 678 S CA -0.531 57.664 58.200 -0.008 0.000 1.056 678 S CB 0.372 63.569 63.200 -0.005 0.000 0.853 678 S HN 0.586 nan 8.310 nan 0.000 0.505 679 D N 2.433 122.816 120.400 -0.029 0.000 2.126 679 D HA -0.152 4.487 4.640 -0.000 0.000 0.190 679 D C 1.015 177.284 176.300 -0.053 0.000 1.001 679 D CA 1.262 55.242 54.000 -0.034 0.000 0.841 679 D CB -0.182 40.602 40.800 -0.025 0.000 0.949 679 D HN 0.821 nan 8.370 nan 0.000 0.446 680 N N 0.469 119.128 118.700 -0.067 0.000 3.271 680 N HA 0.126 4.865 4.740 -0.000 0.000 0.303 680 N C -0.444 174.955 175.510 -0.185 0.000 1.415 680 N CA -0.363 52.624 53.050 -0.106 0.000 1.159 680 N CB 0.599 39.035 38.487 -0.086 0.000 1.432 680 N HN -0.138 nan 8.380 nan 0.000 0.521 681 R N 1.047 121.433 120.500 -0.189 0.000 2.621 681 R HA 0.256 4.595 4.340 -0.000 0.000 0.292 681 R C -0.732 175.439 176.300 -0.215 0.000 0.969 681 R CA -0.718 55.233 56.100 -0.249 0.000 0.887 681 R CB 1.050 31.244 30.300 -0.176 0.000 1.180 681 R HN 0.441 nan 8.270 nan 0.000 0.450 682 H N 3.485 122.515 119.070 -0.067 0.000 3.015 682 H HA 0.181 4.738 4.556 0.002 0.000 0.268 682 H C 0.458 175.730 175.328 -0.093 0.000 1.113 682 H CA 0.097 56.108 56.048 -0.062 0.000 1.479 682 H CB 0.395 30.133 29.762 -0.041 0.000 1.493 682 H HN 0.204 nan 8.280 nan 0.000 0.486 683 I N 3.220 123.801 120.570 0.017 0.000 2.385 683 I HA 0.281 4.451 4.170 -0.000 0.000 0.294 683 I C 0.778 176.885 176.117 -0.017 0.000 0.988 683 I CA -0.294 60.979 61.300 -0.046 0.000 1.265 683 I CB 1.342 39.306 38.000 -0.061 0.000 1.388 683 I HN 0.406 nan 8.210 nan 0.000 0.480 684 R N 6.394 126.878 120.500 -0.026 0.000 2.625 684 R HA 0.269 4.609 4.340 -0.000 0.000 0.286 684 R C -0.340 175.957 176.300 -0.005 0.000 1.406 684 R CA -0.468 55.627 56.100 -0.009 0.000 1.052 684 R CB 1.020 31.320 30.300 -0.001 0.000 1.203 684 R HN 0.672 nan 8.270 nan 0.000 0.502 685 M N 4.496 124.094 119.600 -0.005 0.000 3.689 685 M HA -0.019 4.461 4.480 -0.000 0.000 0.176 685 M C 0.601 176.906 176.300 0.009 0.000 1.696 685 M CA 0.785 56.086 55.300 0.002 0.000 1.766 685 M CB -0.054 32.546 32.600 -0.000 0.000 1.235 685 M HN 0.492 nan 8.290 nan 0.000 0.526 686 T N -0.493 114.070 114.554 0.016 0.000 3.650 686 T HA 0.400 4.750 4.350 -0.000 0.000 0.254 686 T C 0.219 174.932 174.700 0.021 0.000 1.130 686 T CA 0.253 62.365 62.100 0.020 0.000 0.984 686 T CB -0.810 68.075 68.868 0.028 0.000 1.039 686 T HN 0.644 nan 8.240 nan 0.000 0.586 687 A N -0.248 122.582 122.820 0.018 0.000 2.585 687 A HA 0.609 4.929 4.320 -0.000 0.000 0.299 687 A C -0.244 177.348 177.584 0.013 0.000 1.047 687 A CA -0.934 51.112 52.037 0.017 0.000 0.723 687 A CB 0.756 19.769 19.000 0.021 0.000 1.275 687 A HN 0.332 nan 8.150 nan 0.000 0.408 688 T N 0.512 115.073 114.554 0.011 0.000 2.669 688 T HA 0.723 5.073 4.350 -0.000 0.000 0.283 688 T C -0.439 174.266 174.700 0.009 0.000 1.019 688 T CA -0.436 61.669 62.100 0.008 0.000 1.039 688 T CB 1.134 70.005 68.868 0.006 0.000 1.374 688 T HN 0.702 nan 8.240 nan 0.000 0.523 689 I N 1.291 121.865 120.570 0.006 0.000 2.948 689 I HA 0.388 4.558 4.170 -0.000 0.000 0.308 689 I C 0.751 176.870 176.117 0.004 0.000 1.478 689 I CA -0.511 60.794 61.300 0.007 0.000 0.843 689 I CB 0.409 38.413 38.000 0.007 0.000 2.100 689 I HN 0.722 nan 8.210 nan 0.000 0.625 690 G N 0.679 109.481 108.800 0.004 0.000 2.695 690 G HA2 0.364 4.324 3.960 -0.000 0.000 0.213 690 G HA3 0.364 4.324 3.960 -0.000 0.000 0.213 690 G C 1.012 175.914 174.900 0.003 0.000 1.406 690 G CA 0.052 45.153 45.100 0.002 0.000 1.049 690 G HN 0.355 nan 8.290 nan 0.000 0.573 691 G N -0.742 108.059 108.800 0.002 0.000 2.990 691 G HA2 0.265 4.224 3.960 -0.000 0.000 0.206 691 G HA3 0.265 4.224 3.960 -0.000 0.000 0.206 691 G C 0.611 175.513 174.900 0.003 0.000 1.169 691 G CA 0.519 45.620 45.100 0.002 0.000 0.819 691 G HN 0.716 nan 8.290 nan 0.000 0.517 692 K N 0.000 120.403 120.400 0.004 0.000 2.780 692 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 692 K CA 0.000 56.290 56.287 0.005 0.000 0.838 692 K CB 0.000 32.504 32.500 0.006 0.000 1.064 692 K HN 0.000 nan 8.250 nan 0.000 0.543