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 2xkk_1_A DATA FIRST_RESID 373 DATA SEQUENCE ALPGKLXXXX XXTREESELF IVEGDSAGGS AKQARDKNFQ AIMPIRGKIL DATA SEQUENCE NTWEVSSDEV LASQEVHDIA IAIGVDPGSD DLSELRYGKI CILADADSDG DATA SEQUENCE LHIATLLCAL FVKHFPALVE EGHLYVAMPP LFRIDIGKDV HYALDDEELE DATA SEQUENCE TILKNVXXXK NPQITRFKGL GEMNAIQLRE TTMDPNTRRL VQLDLDDAHL DATA SEQUENCE TAGLLDKLLA KKRAADRKQW LEQKXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXENR SVAEFTEQAY DATA SEQUENCE LNYAMYVIMD RALPHISDGL KPVQRRIVYA MSELGLKSSG KPKKSARTVG DATA SEQUENCE DVLGKYHPHG DSACYEAMVL MAQPFSYRYP LIEGQGNWGS PDDPKSFAAM DATA SEQUENCE RXTEAKLSAY SELLLSELGQ GTSEWQDNFD GSLKEPITLP ARVPNILLNG DATA SEQUENCE TTGIAVGMAT DIPPHNLREV VKGTIALIRN PQTSDEKLAE YIPAPDLPTK DATA SEQUENCE AEIITPPEEL LKIQTTGRGS YRMRAVYTIE KNEIVITELP YQVSGSKVIT DATA SEQUENCE QIADQMQAKK LPLVVDVRDE SDHENPTRLV IVLRSNRIDA EAVMSHLFAT DATA SEQUENCE TDLESSYRVN LNMIGEDGRP QVKSIRRILL EWIEIRKKTV TRRLQYHLNR DATA SEQUENCE IEKRLHILAG LLIAYLDIDT VIRIIREEDQ PKPVLMEHFN IDEIQAEAIL DATA SEQUENCE ELKLRHLAKL EEMEIRHEQD ELSAKAAIIR EQLENPESLK NLIISELKED DATA SEQUENCE AKKFGDERRS PIVA 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 373 A HA 0.000 nan 4.320 nan 0.000 0.244 373 A C 0.000 177.593 177.584 0.016 0.000 1.274 373 A CA 0.000 52.045 52.037 0.013 0.000 0.836 373 A CB 0.000 19.008 19.000 0.014 0.000 0.831 374 L N -1.801 119.434 121.223 0.021 0.000 4.800 374 L HA -0.125 4.215 4.340 -0.000 0.000 0.412 374 L C -2.187 174.698 176.870 0.025 0.000 1.063 374 L CA 0.257 55.111 54.840 0.023 0.000 1.114 374 L CB -1.501 40.570 42.059 0.020 0.000 2.089 374 L HN 0.344 nan 8.230 nan 0.000 0.686 375 P HA 0.144 nan 4.420 nan 0.000 0.266 375 P C 1.103 178.414 177.300 0.019 0.000 1.186 375 P CA 1.742 64.855 63.100 0.021 0.000 0.767 375 P CB 0.569 32.281 31.700 0.019 0.000 0.820 376 G N 2.364 111.174 108.800 0.017 0.000 4.655 376 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.220 376 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.220 376 G C 1.361 176.270 174.900 0.014 0.000 1.403 376 G CA 0.635 45.743 45.100 0.014 0.000 0.931 376 G HN 0.617 nan 8.290 nan 0.000 0.654 377 K N 0.254 120.664 120.400 0.016 0.000 2.360 377 K HA 0.167 4.487 4.320 -0.000 0.000 0.201 377 K C 1.186 177.794 176.600 0.014 0.000 1.046 377 K CA 0.843 57.139 56.287 0.013 0.000 0.945 377 K CB -0.162 32.347 32.500 0.015 0.000 0.750 377 K HN 0.351 nan 8.250 nan 0.000 0.464 386 R N 1.031 121.542 120.500 0.019 0.000 2.287 386 R HA 0.752 5.091 4.340 -0.000 0.000 0.197 386 R C 2.278 178.612 176.300 0.057 0.000 0.900 386 R CA 1.709 57.822 56.100 0.021 0.000 1.052 386 R CB -1.384 28.913 30.300 -0.005 0.000 1.117 386 R HN 0.933 nan 8.270 nan 0.000 0.568 387 E N 0.751 120.977 120.200 0.045 0.000 2.385 387 E HA 0.007 4.357 4.350 -0.000 0.000 0.194 387 E C 1.537 178.153 176.600 0.028 0.000 1.013 387 E CA 0.784 57.209 56.400 0.042 0.000 0.866 387 E CB -0.143 29.567 29.700 0.017 0.000 0.832 387 E HN 0.770 nan 8.360 nan 0.000 0.500 388 E N 0.028 120.244 120.200 0.026 0.000 2.358 388 E HA 0.039 4.389 4.350 -0.000 0.000 0.195 388 E C 1.208 177.925 176.600 0.195 0.000 1.010 388 E CA 0.522 56.926 56.400 0.007 0.000 0.856 388 E CB -0.049 29.608 29.700 -0.072 0.000 0.795 388 E HN 0.555 nan 8.360 nan 0.000 0.504 389 S N 0.945 116.772 115.700 0.211 0.000 2.601 389 S HA 0.260 4.729 4.470 -0.000 0.000 0.271 389 S C -0.351 174.399 174.600 0.250 0.000 1.305 389 S CA -0.158 58.229 58.200 0.311 0.000 1.022 389 S CB 0.557 63.942 63.200 0.308 0.000 0.940 389 S HN 0.138 nan 8.310 nan 0.000 0.525 390 E N 0.781 121.061 120.200 0.134 0.000 2.287 390 E HA 0.345 4.695 4.350 -0.000 0.000 0.274 390 E C -1.498 174.781 176.600 -0.536 0.000 0.896 390 E CA -0.656 55.625 56.400 -0.198 0.000 0.788 390 E CB 1.772 31.270 29.700 -0.337 0.000 1.244 390 E HN 0.533 nan 8.360 nan 0.000 0.408 391 L N 3.137 123.880 121.223 -0.800 0.000 2.331 391 L HA 0.427 4.767 4.340 -0.000 0.000 0.278 391 L C -1.429 175.046 176.870 -0.658 0.000 1.106 391 L CA 0.211 54.490 54.840 -0.935 0.000 0.824 391 L CB 0.094 41.543 42.059 -1.016 0.000 1.142 391 L HN 0.460 nan 8.230 nan 0.000 0.443 392 F N 6.222 125.999 119.950 -0.287 0.000 2.361 392 F HA 0.421 4.948 4.527 -0.001 0.000 0.364 392 F C 0.251 175.972 175.800 -0.132 0.000 1.117 392 F CA -0.330 57.564 58.000 -0.177 0.000 1.071 392 F CB 1.027 39.928 39.000 -0.166 0.000 1.188 392 F HN 0.333 nan 8.300 nan 0.000 0.464 393 I N 5.837 126.441 120.570 0.057 0.000 2.291 393 I HA 0.222 4.392 4.170 -0.000 0.000 0.292 393 I C -0.374 175.782 176.117 0.065 0.000 1.064 393 I CA -0.571 60.752 61.300 0.040 0.000 1.269 393 I CB 0.417 38.435 38.000 0.030 0.000 1.418 393 I HN 0.312 nan 8.210 nan 0.000 0.485 394 V N 3.700 123.638 119.914 0.041 0.000 2.732 394 V HA 0.465 4.585 4.120 -0.000 0.000 0.310 394 V C 0.063 176.161 176.094 0.007 0.000 1.053 394 V CA -0.760 61.553 62.300 0.022 0.000 0.957 394 V CB 1.795 33.613 31.823 -0.007 0.000 1.018 394 V HN 0.770 nan 8.190 nan 0.000 0.452 395 E N 2.901 123.103 120.200 0.003 0.000 1.865 395 E HA 0.522 4.872 4.350 -0.000 0.000 0.269 395 E C 0.237 176.836 176.600 -0.001 0.000 1.177 395 E CA 0.659 57.059 56.400 -0.000 0.000 0.932 395 E CB -0.277 29.424 29.700 0.001 0.000 1.066 395 E HN 1.782 nan 8.360 nan 0.000 0.405 396 G N 3.979 112.778 108.800 -0.001 0.000 2.650 396 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.686 396 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.686 396 G C 0.139 175.039 174.900 -0.001 0.000 1.205 396 G CA -0.375 44.727 45.100 0.003 0.000 0.781 396 G HN 0.574 nan 8.290 nan 0.000 0.648 397 D N 0.243 120.644 120.400 0.003 0.000 2.311 397 D HA -0.083 4.557 4.640 -0.000 0.000 0.212 397 D C 2.446 178.743 176.300 -0.005 0.000 0.972 397 D CA 1.591 55.590 54.000 -0.000 0.000 0.887 397 D CB 0.099 40.902 40.800 0.005 0.000 0.915 397 D HN 0.371 nan 8.370 nan 0.000 0.497 398 S N 0.895 116.593 115.700 -0.004 0.000 2.343 398 S HA -0.099 4.371 4.470 -0.000 0.000 0.212 398 S C 2.203 176.789 174.600 -0.023 0.000 1.033 398 S CA 1.035 59.229 58.200 -0.009 0.000 1.004 398 S CB -0.420 62.777 63.200 -0.005 0.000 0.977 398 S HN 0.354 nan 8.310 nan 0.000 0.427 399 A N 1.645 124.448 122.820 -0.028 0.000 2.131 399 A HA 0.065 4.385 4.320 -0.000 0.000 0.220 399 A C 2.134 179.689 177.584 -0.048 0.000 1.158 399 A CA 1.669 53.678 52.037 -0.047 0.000 0.665 399 A CB -1.451 17.521 19.000 -0.047 0.000 0.795 399 A HN 0.521 nan 8.150 nan 0.000 0.460 400 G N -0.096 108.685 108.800 -0.031 0.000 2.604 400 G HA2 -0.027 3.932 3.960 -0.000 0.000 0.216 400 G HA3 -0.027 3.932 3.960 -0.000 0.000 0.216 400 G C 1.634 176.512 174.900 -0.037 0.000 1.265 400 G CA 1.236 46.318 45.100 -0.029 0.000 0.804 400 G HN 0.717 nan 8.290 nan 0.000 0.579 401 G N 0.384 109.166 108.800 -0.029 0.000 2.505 401 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 401 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 401 G C 2.185 177.057 174.900 -0.046 0.000 1.145 401 G CA 1.755 46.836 45.100 -0.031 0.000 0.761 401 G HN 0.458 nan 8.290 nan 0.000 0.571 402 S N 0.995 116.663 115.700 -0.055 0.000 2.338 402 S HA 0.023 4.493 4.470 -0.000 0.000 0.218 402 S C 2.856 177.395 174.600 -0.102 0.000 1.032 402 S CA 1.327 59.484 58.200 -0.072 0.000 0.999 402 S CB -0.619 62.535 63.200 -0.077 0.000 0.905 402 S HN 0.626 nan 8.310 nan 0.000 0.439 403 A N 1.813 124.560 122.820 -0.123 0.000 1.883 403 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 403 A C 2.010 179.502 177.584 -0.153 0.000 1.186 403 A CA 1.945 53.875 52.037 -0.177 0.000 0.624 403 A CB -0.692 18.192 19.000 -0.194 0.000 0.822 403 A HN 0.455 nan 8.150 nan 0.000 0.444 404 K N -0.992 119.347 120.400 -0.101 0.000 2.173 404 K HA -0.299 4.021 4.320 -0.000 0.000 0.207 404 K C 2.239 178.792 176.600 -0.078 0.000 1.046 404 K CA 2.050 58.291 56.287 -0.076 0.000 0.929 404 K CB -0.089 32.383 32.500 -0.047 0.000 0.720 404 K HN 0.557 nan 8.250 nan 0.000 0.453 405 Q N 0.020 119.772 119.800 -0.080 0.000 1.984 405 Q HA -0.002 4.338 4.340 -0.000 0.000 0.196 405 Q C 1.840 177.782 176.000 -0.096 0.000 0.975 405 Q CA 1.920 57.680 55.803 -0.073 0.000 0.827 405 Q CB -0.433 28.268 28.738 -0.061 0.000 0.894 405 Q HN 0.317 nan 8.270 nan 0.000 0.438 406 A N 1.535 124.280 122.820 -0.125 0.000 1.958 406 A HA -0.241 4.079 4.320 -0.000 0.000 0.221 406 A C 0.979 178.454 177.584 -0.182 0.000 1.178 406 A CA 1.530 53.473 52.037 -0.157 0.000 0.642 406 A CB -1.156 17.723 19.000 -0.202 0.000 0.816 406 A HN 0.560 nan 8.150 nan 0.000 0.453 407 R N -0.496 119.881 120.500 -0.206 0.000 2.811 407 R HA 0.371 4.711 4.340 -0.000 0.000 0.265 407 R C -0.154 176.042 176.300 -0.172 0.000 1.026 407 R CA 0.446 56.406 56.100 -0.233 0.000 1.142 407 R CB -0.476 29.703 30.300 -0.201 0.000 1.027 407 R HN 0.263 nan 8.270 nan 0.000 0.465 408 D N 0.988 121.259 120.400 -0.215 0.000 2.365 408 D HA 0.276 4.916 4.640 -0.000 0.000 0.237 408 D C 1.333 177.556 176.300 -0.130 0.000 1.190 408 D CA -0.025 53.894 54.000 -0.135 0.000 0.867 408 D CB 1.163 41.919 40.800 -0.074 0.000 1.050 408 D HN 0.764 nan 8.370 nan 0.000 0.491 409 K N 1.481 121.853 120.400 -0.047 0.000 2.127 409 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 409 K C 1.827 178.446 176.600 0.031 0.000 1.047 409 K CA 1.831 58.109 56.287 -0.016 0.000 0.927 409 K CB -0.991 31.511 32.500 0.004 0.000 0.716 409 K HN 0.623 nan 8.250 nan 0.000 0.450 410 N N -0.542 118.217 118.700 0.097 0.000 2.061 410 N HA -0.123 4.616 4.740 -0.000 0.000 0.193 410 N C 1.268 176.935 175.510 0.262 0.000 1.030 410 N CA 2.185 55.346 53.050 0.186 0.000 0.856 410 N CB -0.128 38.511 38.487 0.253 0.000 1.023 410 N HN 0.770 nan 8.380 nan 0.000 0.424 411 F N -0.780 119.200 119.950 0.050 0.000 2.859 411 F HA 0.472 4.999 4.527 -0.000 0.000 0.324 411 F C -0.591 175.265 175.800 0.092 0.000 1.158 411 F CA -0.693 57.347 58.000 0.068 0.000 1.147 411 F CB -0.254 38.773 39.000 0.046 0.000 1.137 411 F HN -0.283 nan 8.300 nan 0.000 0.516 412 Q N 2.362 121.958 119.800 -0.339 0.000 2.490 412 Q HA 0.694 5.034 4.340 -0.000 0.000 0.255 412 Q C -0.607 175.352 176.000 -0.070 0.000 0.997 412 Q CA -0.638 55.009 55.803 -0.260 0.000 0.709 412 Q CB 2.143 30.648 28.738 -0.388 0.000 1.255 412 Q HN 0.415 nan 8.270 nan 0.000 0.486 413 A N 3.251 126.039 122.820 -0.054 0.000 2.316 413 A HA 0.660 4.980 4.320 -0.000 0.000 0.284 413 A C -0.384 177.164 177.584 -0.061 0.000 1.115 413 A CA -0.287 51.718 52.037 -0.054 0.000 0.812 413 A CB 0.607 19.588 19.000 -0.032 0.000 1.064 413 A HN 0.581 nan 8.150 nan 0.000 0.489 414 I N 1.183 121.735 120.570 -0.030 0.000 2.646 414 I HA 0.552 4.721 4.170 -0.000 0.000 0.299 414 I C -0.254 175.851 176.117 -0.019 0.000 1.036 414 I CA -0.450 60.848 61.300 -0.004 0.000 1.074 414 I CB 1.648 39.635 38.000 -0.021 0.000 1.258 414 I HN 0.829 nan 8.210 nan 0.000 0.430 415 M N 7.308 126.902 119.600 -0.009 0.000 2.238 415 M HA 0.431 4.910 4.480 -0.000 0.000 0.278 415 M C -2.821 173.477 176.300 -0.004 0.000 1.040 415 M CA -1.307 53.986 55.300 -0.011 0.000 0.969 415 M CB 2.968 35.555 32.600 -0.022 0.000 1.694 415 M HN 0.117 nan 8.290 nan 0.000 0.472 416 P HA 0.217 nan 4.420 nan 0.000 0.276 416 P C -0.994 176.303 177.300 -0.005 0.000 1.243 416 P CA 0.116 63.213 63.100 -0.004 0.000 0.768 416 P CB 0.370 32.068 31.700 -0.004 0.000 0.856 417 I N 5.003 125.570 120.570 -0.005 0.000 2.312 417 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 417 I C 0.802 176.914 176.117 -0.008 0.000 1.031 417 I CA -0.403 60.890 61.300 -0.011 0.000 1.293 417 I CB 0.551 38.541 38.000 -0.016 0.000 1.403 417 I HN 0.143 nan 8.210 nan 0.000 0.484 418 R N 5.598 126.095 120.500 -0.005 0.000 2.215 418 R HA 0.539 4.879 4.340 -0.000 0.000 0.337 418 R C 0.323 176.624 176.300 0.003 0.000 1.010 418 R CA -0.280 55.821 56.100 0.002 0.000 0.871 418 R CB 1.264 31.567 30.300 0.006 0.000 1.134 418 R HN 0.909 nan 8.270 nan 0.000 0.477 419 G N 2.757 111.560 108.800 0.006 0.000 2.698 419 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.225 419 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.225 419 G C -0.992 173.901 174.900 -0.010 0.000 1.345 419 G CA -0.934 44.172 45.100 0.010 0.000 0.871 419 G HN 0.507 nan 8.290 nan 0.000 0.540 420 K N 0.281 120.676 120.400 -0.009 0.000 2.234 420 K HA 0.510 4.830 4.320 -0.000 0.000 0.282 420 K C 0.831 177.408 176.600 -0.038 0.000 1.039 420 K CA -0.210 56.046 56.287 -0.051 0.000 0.928 420 K CB 1.276 33.754 32.500 -0.038 0.000 1.039 420 K HN 0.713 nan 8.250 nan 0.000 0.470 421 I N 0.150 120.683 120.570 -0.062 0.000 2.886 421 I HA 0.214 4.383 4.170 -0.000 0.000 0.299 421 I C 0.223 176.325 176.117 -0.025 0.000 1.044 421 I CA -1.077 60.198 61.300 -0.042 0.000 1.310 421 I CB 0.262 38.227 38.000 -0.058 0.000 1.441 421 I HN 0.543 nan 8.210 nan 0.000 0.578 422 L N 2.096 123.315 121.223 -0.008 0.000 2.483 422 L HA 0.260 4.600 4.340 -0.000 0.000 0.276 422 L C 0.315 177.206 176.870 0.034 0.000 1.213 422 L CA 0.112 54.963 54.840 0.018 0.000 0.843 422 L CB 0.073 42.142 42.059 0.016 0.000 1.107 422 L HN 0.743 nan 8.230 nan 0.000 0.487 423 N N 1.691 120.434 118.700 0.073 0.000 2.416 423 N HA 0.015 4.755 4.740 -0.000 0.000 0.271 423 N C 0.715 176.309 175.510 0.139 0.000 1.245 423 N CA 0.599 53.718 53.050 0.115 0.000 0.940 423 N CB 0.675 39.248 38.487 0.144 0.000 1.175 423 N HN 0.887 nan 8.380 nan 0.000 0.483 424 T N -0.081 114.572 114.554 0.166 0.000 3.081 424 T HA -0.025 4.325 4.350 -0.000 0.000 0.250 424 T C 1.652 176.545 174.700 0.320 0.000 1.100 424 T CA -0.232 61.974 62.100 0.176 0.000 1.038 424 T CB -0.346 68.579 68.868 0.093 0.000 0.962 424 T HN 0.591 nan 8.240 nan 0.000 0.516 425 W N 2.380 123.732 121.300 0.086 0.000 2.341 425 W HA -0.096 4.564 4.660 -0.001 0.000 0.283 425 W C 0.652 177.198 176.519 0.045 0.000 1.215 425 W CA 1.074 58.455 57.345 0.060 0.000 1.211 425 W CB 0.151 29.619 29.460 0.013 0.000 1.131 425 W HN 0.443 nan 8.180 nan 0.000 0.552 426 E N -0.542 119.713 120.200 0.092 0.000 2.758 426 E HA 0.085 4.435 4.350 -0.000 0.000 0.215 426 E C -0.515 176.098 176.600 0.022 0.000 0.985 426 E CA -0.239 56.150 56.400 -0.019 0.000 1.102 426 E CB 1.015 30.731 29.700 0.026 0.000 1.042 426 E HN -0.194 nan 8.360 nan 0.000 0.480 427 V N 2.054 122.022 119.914 0.090 0.000 2.483 427 V HA 0.183 4.303 4.120 -0.000 0.000 0.295 427 V C 0.411 176.594 176.094 0.148 0.000 1.035 427 V CA -0.933 61.419 62.300 0.087 0.000 0.896 427 V CB 1.701 33.560 31.823 0.060 0.000 0.986 427 V HN 0.264 nan 8.190 nan 0.000 0.447 428 S N 3.067 118.815 115.700 0.081 0.000 2.549 428 S HA 0.082 4.552 4.470 -0.000 0.000 0.283 428 S C 1.298 176.000 174.600 0.170 0.000 1.320 428 S CA 0.022 58.277 58.200 0.091 0.000 1.058 428 S CB 1.075 64.287 63.200 0.021 0.000 0.882 428 S HN 0.700 nan 8.310 nan 0.000 0.498 429 S N 2.641 118.496 115.700 0.257 0.000 2.400 429 S HA -0.193 4.277 4.470 -0.000 0.000 0.234 429 S C 1.987 176.615 174.600 0.046 0.000 1.049 429 S CA 1.945 60.268 58.200 0.206 0.000 1.039 429 S CB -1.306 61.957 63.200 0.104 0.000 0.856 429 S HN 1.001 nan 8.310 nan 0.000 0.465 430 D N 0.619 121.037 120.400 0.030 0.000 2.123 430 D HA 0.024 4.664 4.640 -0.000 0.000 0.200 430 D C 2.080 178.381 176.300 0.002 0.000 0.976 430 D CA 1.699 55.706 54.000 0.011 0.000 0.831 430 D CB -1.073 39.728 40.800 0.002 0.000 0.974 430 D HN 0.659 nan 8.370 nan 0.000 0.469 431 E N 0.035 120.235 120.200 0.001 0.000 2.047 431 E HA 0.012 4.361 4.350 -0.000 0.000 0.191 431 E C 2.436 179.021 176.600 -0.025 0.000 0.987 431 E CA 1.135 57.530 56.400 -0.010 0.000 0.799 431 E CB -1.227 28.472 29.700 -0.002 0.000 0.752 431 E HN 0.431 nan 8.360 nan 0.000 0.449 432 V N 0.687 120.568 119.914 -0.055 0.000 2.428 432 V HA -0.312 3.808 4.120 -0.000 0.000 0.255 432 V C 2.651 178.719 176.094 -0.043 0.000 1.080 432 V CA 2.114 64.341 62.300 -0.120 0.000 1.083 432 V CB -0.434 31.163 31.823 -0.377 0.000 0.665 432 V HN 0.578 nan 8.190 nan 0.000 0.461 433 L N -0.541 120.688 121.223 0.011 0.000 2.478 433 L HA 0.065 4.404 4.340 -0.000 0.000 0.223 433 L C 2.468 179.342 176.870 0.006 0.000 1.140 433 L CA 0.908 55.811 54.840 0.106 0.000 0.842 433 L CB -0.644 41.527 42.059 0.185 0.000 0.953 433 L HN 0.286 nan 8.230 nan 0.000 0.452 434 A N -0.899 121.900 122.820 -0.034 0.000 1.930 434 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 434 A C 1.707 179.259 177.584 -0.054 0.000 1.175 434 A CA 0.909 52.905 52.037 -0.068 0.000 0.627 434 A CB -0.383 18.589 19.000 -0.046 0.000 0.815 434 A HN 0.270 nan 8.150 nan 0.000 0.443 435 S N -0.046 115.641 115.700 -0.022 0.000 2.457 435 S HA 0.147 4.617 4.470 -0.000 0.000 0.294 435 S C 1.083 175.695 174.600 0.020 0.000 1.201 435 S CA 0.150 58.346 58.200 -0.007 0.000 1.112 435 S CB 0.494 63.689 63.200 -0.007 0.000 1.018 435 S HN 0.503 nan 8.310 nan 0.000 0.511 436 Q N 3.885 123.694 119.800 0.014 0.000 2.062 436 Q HA -0.186 4.154 4.340 -0.000 0.000 0.209 436 Q C 1.661 177.709 176.000 0.080 0.000 0.996 436 Q CA 2.198 58.033 55.803 0.054 0.000 0.859 436 Q CB -0.170 28.584 28.738 0.026 0.000 0.920 436 Q HN 0.756 nan 8.270 nan 0.000 0.415 437 E N -0.701 119.520 120.200 0.035 0.000 2.204 437 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 437 E C 1.976 178.575 176.600 -0.002 0.000 0.990 437 E CA 1.163 57.572 56.400 0.015 0.000 0.821 437 E CB -0.060 29.640 29.700 -0.001 0.000 0.750 437 E HN 0.350 nan 8.360 nan 0.000 0.477 438 V N 0.180 120.097 119.914 0.005 0.000 2.283 438 V HA -0.233 3.887 4.120 -0.000 0.000 0.243 438 V C 2.306 178.408 176.094 0.013 0.000 1.039 438 V CA 1.908 64.195 62.300 -0.023 0.000 1.016 438 V CB -0.836 30.972 31.823 -0.026 0.000 0.650 438 V HN 0.258 nan 8.190 nan 0.000 0.449 439 H N 1.278 120.330 119.070 -0.030 0.000 2.330 439 H HA -0.250 4.306 4.556 -0.000 0.000 0.290 439 H C 2.009 177.333 175.328 -0.008 0.000 1.111 439 H CA 2.443 58.486 56.048 -0.008 0.000 1.226 439 H CB -0.362 29.396 29.762 -0.005 0.000 1.355 439 H HN 0.440 nan 8.280 nan 0.000 0.485 440 D N -0.219 120.160 120.400 -0.035 0.000 2.178 440 D HA -0.114 4.526 4.640 -0.000 0.000 0.202 440 D C 2.469 178.711 176.300 -0.098 0.000 0.974 440 D CA 1.305 55.256 54.000 -0.081 0.000 0.841 440 D CB -0.143 40.654 40.800 -0.005 0.000 0.953 440 D HN 0.520 nan 8.370 nan 0.000 0.478 441 I N 1.300 121.807 120.570 -0.105 0.000 2.179 441 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 441 I C 2.599 178.627 176.117 -0.148 0.000 1.088 441 I CA 0.928 62.152 61.300 -0.126 0.000 1.357 441 I CB -0.361 37.517 38.000 -0.203 0.000 1.051 441 I HN -0.086 nan 8.210 nan 0.000 0.409 442 A N 1.601 124.316 122.820 -0.176 0.000 1.865 442 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 442 A C 2.276 179.811 177.584 -0.083 0.000 1.191 442 A CA 1.629 53.598 52.037 -0.113 0.000 0.623 442 A CB -1.000 18.021 19.000 0.037 0.000 0.826 442 A HN 0.400 nan 8.150 nan 0.000 0.444 443 I N -0.503 119.969 120.570 -0.163 0.000 2.623 443 I HA -0.302 3.868 4.170 -0.000 0.000 0.261 443 I C 2.585 178.673 176.117 -0.048 0.000 1.204 443 I CA 0.970 62.188 61.300 -0.136 0.000 1.444 443 I CB -0.401 37.466 38.000 -0.221 0.000 1.094 443 I HN 0.447 nan 8.210 nan 0.000 0.451 444 A N 1.508 124.318 122.820 -0.017 0.000 1.887 444 A HA 0.022 4.342 4.320 -0.000 0.000 0.210 444 A C 2.169 179.846 177.584 0.156 0.000 1.221 444 A CA 0.427 52.513 52.037 0.081 0.000 0.635 444 A CB -0.484 18.563 19.000 0.079 0.000 0.881 444 A HN 0.440 nan 8.150 nan 0.000 0.456 445 I N -2.195 118.445 120.570 0.117 0.000 3.083 445 I HA 0.198 4.367 4.170 -0.000 0.000 0.273 445 I C 1.238 177.378 176.117 0.039 0.000 1.297 445 I CA 0.734 62.115 61.300 0.136 0.000 1.452 445 I CB -1.079 36.966 38.000 0.074 0.000 1.078 445 I HN 0.407 nan 8.210 nan 0.000 0.484 446 G N 1.901 110.709 108.800 0.013 0.000 2.350 446 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.298 446 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.298 446 G C -0.146 174.774 174.900 0.032 0.000 1.037 446 G CA 0.419 45.518 45.100 -0.002 0.000 1.074 446 G HN 0.416 nan 8.290 nan 0.000 0.511 447 V N -0.900 119.065 119.914 0.085 0.000 3.084 447 V HA 0.817 4.937 4.120 -0.000 0.000 0.311 447 V C -0.770 175.491 176.094 0.278 0.000 1.311 447 V CA -1.005 61.402 62.300 0.179 0.000 1.062 447 V CB 2.243 34.225 31.823 0.264 0.000 1.113 447 V HN 0.253 nan 8.190 nan 0.000 0.468 448 D N 0.213 120.804 120.400 0.317 0.000 2.819 448 D HA 0.458 5.098 4.640 -0.000 0.000 0.232 448 D C -3.015 173.182 176.300 -0.173 0.000 1.160 448 D CA -1.396 52.715 54.000 0.185 0.000 0.858 448 D CB 2.341 43.177 40.800 0.059 0.000 1.610 448 D HN 0.211 nan 8.370 nan 0.000 0.481 449 P HA 0.212 nan 4.420 nan 0.000 0.267 449 P C 0.615 177.692 177.300 -0.371 0.000 1.209 449 P CA 0.176 62.825 63.100 -0.752 0.000 0.763 449 P CB 0.396 31.982 31.700 -0.191 0.000 0.816 450 G N 2.071 110.613 108.800 -0.430 0.000 2.338 450 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.296 450 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.296 450 G C 0.045 174.836 174.900 -0.182 0.000 1.040 450 G CA 0.277 45.220 45.100 -0.261 0.000 1.004 450 G HN 0.716 nan 8.290 nan 0.000 0.509 451 S N -0.271 115.319 115.700 -0.183 0.000 2.736 451 S HA 0.474 4.944 4.470 -0.000 0.000 0.285 451 S C 0.971 175.543 174.600 -0.048 0.000 1.163 451 S CA 0.224 58.371 58.200 -0.089 0.000 1.025 451 S CB 1.024 64.191 63.200 -0.055 0.000 1.030 451 S HN 0.521 nan 8.310 nan 0.000 0.486 452 D N 2.642 123.021 120.400 -0.036 0.000 2.378 452 D HA -0.092 4.547 4.640 -0.000 0.000 0.222 452 D C 0.253 176.551 176.300 -0.003 0.000 0.980 452 D CA 0.303 54.294 54.000 -0.016 0.000 0.907 452 D CB -0.109 40.679 40.800 -0.019 0.000 0.899 452 D HN 0.426 nan 8.370 nan 0.000 0.527 453 D N 0.520 120.920 120.400 0.000 0.000 2.545 453 D HA 0.061 4.700 4.640 -0.000 0.000 0.227 453 D C 0.911 177.220 176.300 0.015 0.000 1.150 453 D CA -0.162 53.841 54.000 0.005 0.000 1.046 453 D CB -0.196 40.607 40.800 0.005 0.000 1.098 453 D HN 0.207 nan 8.370 nan 0.000 0.502 454 L N 1.492 122.716 121.223 0.001 0.000 2.610 454 L HA -0.077 4.262 4.340 -0.000 0.000 0.232 454 L C 2.385 179.240 176.870 -0.026 0.000 1.149 454 L CA 0.181 55.009 54.840 -0.019 0.000 0.872 454 L CB -0.146 41.877 42.059 -0.061 0.000 0.992 454 L HN 0.260 nan 8.230 nan 0.000 0.447 455 S N -0.141 115.551 115.700 -0.012 0.000 2.400 455 S HA -0.254 4.216 4.470 -0.000 0.000 0.232 455 S C 1.718 176.308 174.600 -0.016 0.000 1.025 455 S CA 1.588 59.781 58.200 -0.012 0.000 0.993 455 S CB -0.080 63.116 63.200 -0.007 0.000 0.808 455 S HN 0.437 nan 8.310 nan 0.000 0.478 456 E N 0.230 120.421 120.200 -0.014 0.000 2.444 456 E HA 0.309 4.659 4.350 -0.000 0.000 0.191 456 E C 0.043 176.621 176.600 -0.038 0.000 1.041 456 E CA -0.367 56.019 56.400 -0.023 0.000 0.883 456 E CB -0.170 29.521 29.700 -0.015 0.000 1.024 456 E HN 0.522 nan 8.360 nan 0.000 0.470 457 L N 0.598 121.799 121.223 -0.038 0.000 2.678 457 L HA -0.014 4.326 4.340 -0.000 0.000 0.285 457 L C 1.346 178.166 176.870 -0.083 0.000 1.233 457 L CA 1.165 55.975 54.840 -0.049 0.000 0.920 457 L CB 0.487 42.499 42.059 -0.079 0.000 1.176 457 L HN 0.154 nan 8.230 nan 0.000 0.495 458 R N 4.174 124.595 120.500 -0.133 0.000 2.210 458 R HA 0.127 4.467 4.340 -0.000 0.000 0.203 458 R C -0.021 175.910 176.300 -0.615 0.000 1.010 458 R CA 1.355 57.227 56.100 -0.381 0.000 1.008 458 R CB -0.935 29.081 30.300 -0.474 0.000 0.923 458 R HN 0.735 nan 8.270 nan 0.000 0.469 459 Y N -2.735 117.581 120.300 0.027 0.000 2.512 459 Y HA 0.511 5.060 4.550 -0.001 0.000 0.348 459 Y C 1.632 177.598 175.900 0.110 0.000 0.990 459 Y CA -0.821 57.303 58.100 0.041 0.000 1.033 459 Y CB 2.475 40.937 38.460 0.003 0.000 1.259 459 Y HN 0.028 nan 8.280 nan 0.000 0.461 460 G N 1.062 110.020 108.800 0.263 0.000 2.424 460 G HA2 0.206 4.166 3.960 -0.000 0.000 0.214 460 G HA3 0.206 4.166 3.960 -0.000 0.000 0.214 460 G C 0.234 175.223 174.900 0.148 0.000 1.202 460 G CA 0.773 45.986 45.100 0.189 0.000 0.793 460 G HN 0.548 nan 8.290 nan 0.000 0.534 461 K N 0.646 121.086 120.400 0.068 0.000 2.358 461 K HA 0.674 4.993 4.320 -0.000 0.000 0.260 461 K C -1.069 175.499 176.600 -0.054 0.000 0.956 461 K CA -0.781 55.520 56.287 0.023 0.000 0.834 461 K CB 1.315 33.614 32.500 -0.334 0.000 1.102 461 K HN 0.083 nan 8.250 nan 0.000 0.431 462 I N 2.106 122.702 120.570 0.044 0.000 2.321 462 I HA 0.353 4.522 4.170 -0.000 0.000 0.291 462 I C -0.347 175.708 176.117 -0.103 0.000 0.998 462 I CA -1.491 59.744 61.300 -0.109 0.000 1.227 462 I CB 0.616 38.548 38.000 -0.113 0.000 1.368 462 I HN 0.661 nan 8.210 nan 0.000 0.466 463 C N 7.211 126.380 119.300 -0.219 0.000 2.345 463 C HA 0.513 4.973 4.460 -0.000 0.000 0.323 463 C C 0.662 175.660 174.990 0.013 0.000 1.276 463 C CA -0.783 58.169 59.018 -0.109 0.000 1.543 463 C CB 0.704 28.302 27.740 -0.237 0.000 2.211 463 C HN 0.537 nan 8.230 nan 0.000 0.493 464 I N 4.374 124.975 120.570 0.051 0.000 2.329 464 I HA 0.120 4.290 4.170 -0.000 0.000 0.295 464 I C -0.119 176.056 176.117 0.097 0.000 1.109 464 I CA 0.030 61.380 61.300 0.084 0.000 1.297 464 I CB 0.305 38.361 38.000 0.093 0.000 1.433 464 I HN 0.366 nan 8.210 nan 0.000 0.509 465 L N 8.159 129.442 121.223 0.100 0.000 2.314 465 L HA 0.640 4.980 4.340 -0.000 0.000 0.275 465 L C 0.202 177.096 176.870 0.040 0.000 1.068 465 L CA -0.171 54.716 54.840 0.078 0.000 0.894 465 L CB 0.138 42.249 42.059 0.088 0.000 1.275 465 L HN 0.613 nan 8.230 nan 0.000 0.432 466 A N 3.036 125.881 122.820 0.042 0.000 2.284 466 A HA 0.685 5.004 4.320 -0.000 0.000 0.317 466 A C -0.269 177.322 177.584 0.011 0.000 1.120 466 A CA -0.718 51.337 52.037 0.029 0.000 0.900 466 A CB 0.449 19.477 19.000 0.048 0.000 1.319 466 A HN 0.572 nan 8.150 nan 0.000 0.494 467 D N -0.607 119.797 120.400 0.008 0.000 2.363 467 D HA 0.393 5.033 4.640 -0.000 0.000 0.240 467 D C 1.225 177.524 176.300 -0.002 0.000 1.236 467 D CA 0.881 54.881 54.000 0.000 0.000 0.927 467 D CB 0.966 41.770 40.800 0.007 0.000 1.150 467 D HN 0.505 nan 8.370 nan 0.000 0.458 468 A N 0.904 123.717 122.820 -0.012 0.000 2.123 468 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 468 A C 0.597 178.155 177.584 -0.044 0.000 1.152 468 A CA 0.730 52.751 52.037 -0.025 0.000 0.728 468 A CB -0.412 18.569 19.000 -0.033 0.000 0.814 468 A HN 0.655 nan 8.150 nan 0.000 0.464 469 D N -1.496 118.880 120.400 -0.040 0.000 2.440 469 D HA 0.333 4.973 4.640 -0.000 0.000 0.269 469 D C 1.103 177.365 176.300 -0.064 0.000 1.249 469 D CA 0.228 54.185 54.000 -0.072 0.000 1.055 469 D CB 0.090 40.862 40.800 -0.047 0.000 1.104 469 D HN -0.087 nan 8.370 nan 0.000 0.561 470 S N -0.840 114.793 115.700 -0.112 0.000 2.338 470 S HA -0.155 4.315 4.470 -0.000 0.000 0.218 470 S C 1.359 176.009 174.600 0.083 0.000 1.032 470 S CA 1.117 59.313 58.200 -0.008 0.000 0.999 470 S CB -0.555 62.632 63.200 -0.022 0.000 0.905 470 S HN 0.507 nan 8.310 nan 0.000 0.439 471 D N 1.086 121.568 120.400 0.137 0.000 2.280 471 D HA -0.111 4.528 4.640 -0.000 0.000 0.206 471 D C 1.949 178.262 176.300 0.021 0.000 0.988 471 D CA 1.170 55.238 54.000 0.113 0.000 0.886 471 D CB -0.413 40.480 40.800 0.153 0.000 0.914 471 D HN 0.502 nan 8.370 nan 0.000 0.473 472 G N 0.847 109.657 108.800 0.016 0.000 2.404 472 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.215 472 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.215 472 G C 1.780 176.679 174.900 -0.002 0.000 1.174 472 G CA 0.158 45.261 45.100 0.005 0.000 0.780 472 G HN 0.250 nan 8.290 nan 0.000 0.537 473 L N -0.589 120.629 121.223 -0.009 0.000 2.270 473 L HA 0.087 4.426 4.340 -0.000 0.000 0.210 473 L C 2.475 179.328 176.870 -0.028 0.000 1.104 473 L CA 0.700 55.537 54.840 -0.005 0.000 0.804 473 L CB -0.575 41.459 42.059 -0.040 0.000 0.937 473 L HN 0.354 nan 8.230 nan 0.000 0.450 474 H N 1.053 119.957 119.070 -0.277 0.000 2.270 474 H HA -0.193 4.363 4.556 -0.001 0.000 0.299 474 H C 2.412 177.607 175.328 -0.223 0.000 1.077 474 H CA 2.034 57.788 56.048 -0.490 0.000 1.294 474 H CB 0.162 29.187 29.762 -1.229 0.000 1.371 474 H HN 0.197 nan 8.280 nan 0.000 0.491 475 I N 1.238 121.611 120.570 -0.328 0.000 2.194 475 I HA -0.321 3.849 4.170 -0.000 0.000 0.246 475 I C 2.988 179.036 176.117 -0.116 0.000 1.093 475 I CA 1.246 62.380 61.300 -0.277 0.000 1.355 475 I CB -0.378 37.535 38.000 -0.146 0.000 1.046 475 I HN 0.397 nan 8.210 nan 0.000 0.413 476 A N -0.076 122.733 122.820 -0.018 0.000 1.865 476 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 476 A C 2.390 180.045 177.584 0.119 0.000 1.191 476 A CA 2.639 54.730 52.037 0.091 0.000 0.623 476 A CB -1.273 17.835 19.000 0.181 0.000 0.826 476 A HN 0.399 nan 8.150 nan 0.000 0.444 477 T N 0.723 115.339 114.554 0.103 0.000 2.635 477 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 477 T C 1.768 176.505 174.700 0.063 0.000 1.040 477 T CA 1.652 63.828 62.100 0.127 0.000 1.156 477 T CB -0.532 68.478 68.868 0.237 0.000 0.863 477 T HN 0.378 nan 8.240 nan 0.000 0.430 478 L N 0.264 121.480 121.223 -0.012 0.000 2.189 478 L HA -0.098 4.241 4.340 -0.000 0.000 0.214 478 L C 2.440 179.301 176.870 -0.015 0.000 1.097 478 L CA 0.966 55.779 54.840 -0.044 0.000 0.764 478 L CB -0.546 41.409 42.059 -0.174 0.000 0.900 478 L HN 0.295 nan 8.230 nan 0.000 0.436 479 L N -1.382 119.845 121.223 0.008 0.000 2.084 479 L HA -0.181 4.159 4.340 -0.000 0.000 0.202 479 L C 2.742 179.687 176.870 0.124 0.000 1.074 479 L CA 0.929 55.783 54.840 0.023 0.000 0.757 479 L CB -0.307 41.796 42.059 0.072 0.000 0.918 479 L HN 0.374 nan 8.230 nan 0.000 0.444 480 C N -0.065 119.359 119.300 0.206 0.000 2.391 480 C HA -0.250 4.209 4.460 -0.000 0.000 0.276 480 C C 3.074 178.203 174.990 0.231 0.000 1.217 480 C CA 0.818 59.998 59.018 0.269 0.000 1.766 480 C CB -1.215 26.642 27.740 0.194 0.000 2.046 480 C HN 0.651 nan 8.230 nan 0.000 0.475 481 A N 0.488 123.380 122.820 0.120 0.000 1.892 481 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 481 A C 2.520 180.295 177.584 0.319 0.000 1.188 481 A CA 2.800 54.935 52.037 0.163 0.000 0.631 481 A CB -1.124 17.917 19.000 0.069 0.000 0.822 481 A HN 0.819 nan 8.150 nan 0.000 0.447 482 L N -2.139 119.175 121.223 0.151 0.000 2.127 482 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 482 L C 2.559 179.533 176.870 0.174 0.000 1.089 482 L CA 2.538 57.430 54.840 0.086 0.000 0.757 482 L CB -1.788 40.151 42.059 -0.199 0.000 0.899 482 L HN 0.531 nan 8.230 nan 0.000 0.434 483 F N -0.972 119.147 119.950 0.282 0.000 2.085 483 F HA 0.001 4.528 4.527 -0.000 0.000 0.284 483 F C 2.469 178.450 175.800 0.301 0.000 1.127 483 F CA 1.548 59.723 58.000 0.292 0.000 1.164 483 F CB -0.609 38.467 39.000 0.127 0.000 1.035 483 F HN -0.026 nan 8.300 nan 0.000 0.481 484 V N 0.711 120.897 119.914 0.454 0.000 2.280 484 V HA -0.420 3.700 4.120 -0.000 0.000 0.258 484 V C 2.159 178.449 176.094 0.327 0.000 1.081 484 V CA 2.558 65.067 62.300 0.348 0.000 1.070 484 V CB -0.881 31.140 31.823 0.330 0.000 0.666 484 V HN 0.279 nan 8.190 nan 0.000 0.450 485 K N -0.886 119.754 120.400 0.400 0.000 2.044 485 K HA -0.065 4.255 4.320 -0.000 0.000 0.204 485 K C 2.085 178.597 176.600 -0.147 0.000 1.045 485 K CA 1.539 57.858 56.287 0.054 0.000 0.951 485 K CB -0.279 32.223 32.500 0.005 0.000 0.738 485 K HN 0.612 nan 8.250 nan 0.000 0.443 486 H N -1.931 117.178 119.070 0.066 0.000 2.592 486 H HA 0.179 4.734 4.556 -0.000 0.000 0.265 486 H C -0.308 174.684 175.328 -0.560 0.000 0.955 486 H CA 0.463 56.371 56.048 -0.232 0.000 1.175 486 H CB 0.572 30.208 29.762 -0.210 0.000 1.433 486 H HN 0.094 nan 8.280 nan 0.000 0.537 487 F N -0.276 119.798 119.950 0.206 0.000 2.577 487 F HA 0.273 4.800 4.527 -0.001 0.000 0.359 487 F C -2.118 173.787 175.800 0.175 0.000 1.535 487 F CA -1.889 56.234 58.000 0.205 0.000 1.093 487 F CB 1.142 40.343 39.000 0.335 0.000 1.613 487 F HN -0.095 nan 8.300 nan 0.000 0.558 488 P HA -0.202 nan 4.420 nan 0.000 0.215 488 P C 1.915 179.273 177.300 0.097 0.000 1.157 488 P CA 1.984 65.163 63.100 0.132 0.000 0.863 488 P CB 0.252 31.984 31.700 0.054 0.000 0.787 489 A N -0.163 122.704 122.820 0.078 0.000 1.969 489 A HA -0.301 4.019 4.320 -0.000 0.000 0.223 489 A C 2.645 180.250 177.584 0.035 0.000 1.218 489 A CA 3.290 55.356 52.037 0.049 0.000 0.667 489 A CB -1.981 17.044 19.000 0.043 0.000 0.826 489 A HN 0.213 nan 8.150 nan 0.000 0.472 490 L N -0.918 120.342 121.223 0.061 0.000 1.961 490 L HA 0.193 4.533 4.340 -0.000 0.000 0.210 490 L C 3.102 179.946 176.870 -0.043 0.000 1.072 490 L CA 3.053 57.877 54.840 -0.026 0.000 0.749 490 L CB -1.960 40.068 42.059 -0.052 0.000 0.889 490 L HN 0.917 nan 8.230 nan 0.000 0.432 491 V N -0.537 119.330 119.914 -0.078 0.000 2.759 491 V HA 0.009 4.129 4.120 -0.000 0.000 0.256 491 V C 2.547 178.609 176.094 -0.054 0.000 1.080 491 V CA 3.227 65.456 62.300 -0.118 0.000 1.101 491 V CB -1.458 30.299 31.823 -0.110 0.000 0.698 491 V HN 0.831 nan 8.190 nan 0.000 0.477 492 E N 0.721 120.919 120.200 -0.003 0.000 2.005 492 E HA -0.260 4.089 4.350 -0.000 0.000 0.198 492 E C 2.165 178.775 176.600 0.017 0.000 1.010 492 E CA 2.645 59.051 56.400 0.011 0.000 0.825 492 E CB -1.198 28.516 29.700 0.023 0.000 0.769 492 E HN 1.079 nan 8.360 nan 0.000 0.456 493 E N -0.401 119.831 120.200 0.053 0.000 2.409 493 E HA 0.286 4.636 4.350 -0.000 0.000 0.198 493 E C 1.745 178.399 176.600 0.091 0.000 1.024 493 E CA 1.328 57.789 56.400 0.102 0.000 0.861 493 E CB -0.994 28.811 29.700 0.176 0.000 0.788 493 E HN 1.867 nan 8.360 nan 0.000 0.521 494 G N 0.125 108.938 108.800 0.021 0.000 2.545 494 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.279 494 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.279 494 G C 0.259 175.021 174.900 -0.230 0.000 1.131 494 G CA 0.254 45.269 45.100 -0.140 0.000 1.100 494 G HN 0.599 nan 8.290 nan 0.000 0.525 495 H N -1.081 117.818 119.070 -0.285 0.000 2.755 495 H HA 0.221 4.776 4.556 -0.000 0.000 0.273 495 H C 0.718 175.803 175.328 -0.404 0.000 1.055 495 H CA -0.111 55.818 56.048 -0.197 0.000 1.191 495 H CB 0.943 30.644 29.762 -0.101 0.000 1.536 495 H HN 0.357 nan 8.280 nan 0.000 0.529 496 L N 1.394 122.260 121.223 -0.595 0.000 2.282 496 L HA 0.276 4.616 4.340 -0.000 0.000 0.288 496 L C -1.396 174.990 176.870 -0.807 0.000 1.033 496 L CA -0.511 53.962 54.840 -0.611 0.000 0.807 496 L CB 0.456 42.168 42.059 -0.577 0.000 1.209 496 L HN -0.074 nan 8.230 nan 0.000 0.423 497 Y N 3.949 124.116 120.300 -0.222 0.000 2.442 497 Y HA 0.656 5.206 4.550 -0.000 0.000 0.344 497 Y C 0.238 176.038 175.900 -0.166 0.000 0.976 497 Y CA -0.946 57.042 58.100 -0.187 0.000 1.040 497 Y CB 1.871 40.233 38.460 -0.162 0.000 1.228 497 Y HN 0.426 nan 8.280 nan 0.000 0.451 498 V N 2.065 121.943 119.914 -0.061 0.000 2.318 498 V HA 0.797 4.917 4.120 -0.000 0.000 0.271 498 V C 0.356 176.461 176.094 0.019 0.000 1.030 498 V CA -0.873 61.386 62.300 -0.068 0.000 0.844 498 V CB 0.229 31.887 31.823 -0.274 0.000 1.015 498 V HN 0.842 nan 8.190 nan 0.000 0.460 499 A N 7.062 129.925 122.820 0.071 0.000 2.477 499 A HA 0.712 5.032 4.320 -0.000 0.000 0.246 499 A C 0.155 177.770 177.584 0.050 0.000 1.078 499 A CA -0.079 52.005 52.037 0.080 0.000 0.770 499 A CB 0.047 19.128 19.000 0.136 0.000 1.011 499 A HN 0.810 nan 8.150 nan 0.000 0.494 500 M N 4.218 123.836 119.600 0.029 0.000 2.060 500 M HA 0.313 4.793 4.480 -0.000 0.000 0.342 500 M C -2.609 173.682 176.300 -0.015 0.000 1.031 500 M CA -2.748 52.567 55.300 0.026 0.000 0.981 500 M CB 0.473 33.097 32.600 0.041 0.000 1.376 500 M HN 0.290 nan 8.290 nan 0.000 0.397 501 P HA 0.460 nan 4.420 nan 0.000 0.281 501 P C -2.595 174.686 177.300 -0.032 0.000 1.249 501 P CA -1.299 61.754 63.100 -0.078 0.000 0.810 501 P CB -0.125 31.522 31.700 -0.089 0.000 1.008 502 P HA 0.146 nan 4.420 nan 0.000 0.278 502 P C 0.202 177.611 177.300 0.182 0.000 1.238 502 P CA -0.340 62.846 63.100 0.143 0.000 0.794 502 P CB 0.599 32.519 31.700 0.367 0.000 0.955 503 L N 1.669 122.897 121.223 0.009 0.000 2.270 503 L HA 0.292 4.632 4.340 -0.000 0.000 0.210 503 L C -0.004 176.679 176.870 -0.312 0.000 1.104 503 L CA 1.526 56.202 54.840 -0.273 0.000 0.804 503 L CB -0.501 41.136 42.059 -0.702 0.000 0.937 503 L HN 0.196 nan 8.230 nan 0.000 0.450 504 F N -1.031 119.066 119.950 0.245 0.000 2.691 504 F HA 0.628 5.154 4.527 -0.000 0.000 0.334 504 F C 0.043 175.878 175.800 0.058 0.000 1.107 504 F CA -1.272 56.745 58.000 0.027 0.000 0.991 504 F CB 0.912 39.915 39.000 0.005 0.000 1.400 504 F HN -0.367 nan 8.300 nan 0.000 0.503 505 R N 1.592 122.115 120.500 0.039 0.000 2.585 505 R HA 0.562 4.902 4.340 -0.000 0.000 0.288 505 R C -2.332 173.877 176.300 -0.152 0.000 1.194 505 R CA -0.364 55.658 56.100 -0.130 0.000 1.006 505 R CB 1.071 31.285 30.300 -0.144 0.000 1.229 505 R HN 0.568 nan 8.270 nan 0.000 0.412 506 I N 2.626 123.128 120.570 -0.113 0.000 2.498 506 I HA 0.348 4.518 4.170 -0.000 0.000 0.301 506 I C -0.068 176.018 176.117 -0.052 0.000 0.984 506 I CA -0.337 60.919 61.300 -0.073 0.000 1.204 506 I CB 1.689 39.661 38.000 -0.046 0.000 1.362 506 I HN 0.385 nan 8.210 nan 0.000 0.471 507 D N 6.028 126.404 120.400 -0.040 0.000 2.513 507 D HA 0.311 4.950 4.640 -0.000 0.000 0.295 507 D C -0.396 175.902 176.300 -0.005 0.000 1.202 507 D CA -0.139 53.847 54.000 -0.022 0.000 0.849 507 D CB 0.807 41.586 40.800 -0.034 0.000 1.116 507 D HN 0.335 nan 8.370 nan 0.000 0.502 508 I N -0.212 120.372 120.570 0.024 0.000 2.483 508 I HA 0.207 4.376 4.170 -0.000 0.000 0.291 508 I C 1.727 177.854 176.117 0.017 0.000 1.112 508 I CA -0.168 61.144 61.300 0.021 0.000 1.350 508 I CB 0.120 38.148 38.000 0.046 0.000 1.419 508 I HN 0.343 nan 8.210 nan 0.000 0.523 509 G N 4.590 113.393 108.800 0.005 0.000 4.982 509 G HA2 -0.497 3.463 3.960 -0.000 0.000 0.351 509 G HA3 -0.497 3.463 3.960 -0.000 0.000 0.351 509 G C 0.970 175.872 174.900 0.004 0.000 1.462 509 G CA 1.408 46.510 45.100 0.004 0.000 1.248 509 G HN 0.907 nan 8.290 nan 0.000 0.842 510 K N -0.620 119.785 120.400 0.008 0.000 2.588 510 K HA 0.640 4.960 4.320 -0.000 0.000 0.216 510 K C 0.862 177.465 176.600 0.005 0.000 1.382 510 K CA 1.736 58.026 56.287 0.005 0.000 1.008 510 K CB -0.466 32.037 32.500 0.006 0.000 1.138 510 K HN 1.872 nan 8.250 nan 0.000 0.619 511 D N 1.656 122.066 120.400 0.016 0.000 2.429 511 D HA 0.440 5.080 4.640 -0.000 0.000 0.253 511 D C 0.403 176.714 176.300 0.018 0.000 1.294 511 D CA 0.288 54.297 54.000 0.016 0.000 1.063 511 D CB -0.642 40.188 40.800 0.049 0.000 1.096 511 D HN 0.357 nan 8.370 nan 0.000 0.516 512 V N 2.550 122.439 119.914 -0.042 0.000 2.872 512 V HA 0.292 4.412 4.120 -0.000 0.000 0.307 512 V C 0.544 176.533 176.094 -0.174 0.000 1.072 512 V CA -0.209 62.043 62.300 -0.081 0.000 1.148 512 V CB 0.734 32.508 31.823 -0.082 0.000 0.954 512 V HN 0.752 nan 8.190 nan 0.000 0.490 513 H N 1.498 120.492 119.070 -0.128 0.000 2.985 513 H HA 0.531 5.087 4.556 -0.000 0.000 0.360 513 H C -1.721 173.506 175.328 -0.170 0.000 1.221 513 H CA -0.430 55.593 56.048 -0.041 0.000 1.121 513 H CB 2.254 32.017 29.762 0.002 0.000 1.854 513 H HN 0.591 nan 8.280 nan 0.000 0.551 514 Y N -0.356 120.086 120.300 0.236 0.000 2.406 514 Y HA 0.500 5.049 4.550 -0.000 0.000 0.340 514 Y C -0.301 175.727 175.900 0.214 0.000 0.975 514 Y CA -0.790 57.444 58.100 0.224 0.000 1.056 514 Y CB 2.185 40.748 38.460 0.171 0.000 1.210 514 Y HN 0.653 nan 8.280 nan 0.000 0.448 515 A N 3.814 126.862 122.820 0.380 0.000 2.287 515 A HA 0.453 4.773 4.320 -0.000 0.000 0.317 515 A C 0.138 177.835 177.584 0.188 0.000 1.220 515 A CA -0.540 51.676 52.037 0.298 0.000 0.835 515 A CB 0.707 19.948 19.000 0.403 0.000 1.180 515 A HN 1.070 nan 8.150 nan 0.000 0.500 516 L N 1.145 122.446 121.223 0.130 0.000 2.478 516 L HA 0.081 4.421 4.340 -0.000 0.000 0.223 516 L C 0.438 177.296 176.870 -0.019 0.000 1.140 516 L CA 1.242 56.116 54.840 0.057 0.000 0.842 516 L CB -0.131 41.968 42.059 0.067 0.000 0.953 516 L HN 0.996 nan 8.230 nan 0.000 0.452 517 D N -4.422 115.976 120.400 -0.003 0.000 3.182 517 D HA -0.002 4.638 4.640 -0.000 0.000 0.352 517 D C 0.219 176.599 176.300 0.133 0.000 1.421 517 D CA -0.473 53.510 54.000 -0.029 0.000 0.912 517 D CB 0.001 40.814 40.800 0.021 0.000 1.461 517 D HN -0.363 nan 8.370 nan 0.000 0.548 518 D N -0.392 120.107 120.400 0.165 0.000 2.137 518 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 518 D C 1.488 177.887 176.300 0.165 0.000 0.970 518 D CA 0.939 55.087 54.000 0.247 0.000 0.837 518 D CB 0.166 41.068 40.800 0.171 0.000 0.981 518 D HN 0.530 nan 8.370 nan 0.000 0.475 519 E N 1.120 121.388 120.200 0.113 0.000 2.058 519 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 519 E C 1.589 178.242 176.600 0.088 0.000 0.997 519 E CA 1.096 57.547 56.400 0.085 0.000 0.801 519 E CB 0.093 29.834 29.700 0.069 0.000 0.746 519 E HN 0.366 nan 8.360 nan 0.000 0.450 520 E N 0.473 120.738 120.200 0.108 0.000 2.150 520 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 520 E C 2.205 178.871 176.600 0.110 0.000 0.985 520 E CA 0.621 57.086 56.400 0.107 0.000 0.814 520 E CB -0.171 29.603 29.700 0.123 0.000 0.752 520 E HN 0.172 nan 8.360 nan 0.000 0.466 521 L N 2.056 123.375 121.223 0.160 0.000 1.990 521 L HA -0.246 4.093 4.340 -0.000 0.000 0.213 521 L C 2.349 179.233 176.870 0.023 0.000 1.072 521 L CA 1.994 56.906 54.840 0.119 0.000 0.755 521 L CB -0.532 41.623 42.059 0.161 0.000 0.889 521 L HN 0.070 nan 8.230 nan 0.000 0.432 522 E N -0.693 119.525 120.200 0.030 0.000 2.038 522 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 522 E C 1.948 178.546 176.600 -0.003 0.000 1.000 522 E CA 2.206 58.608 56.400 0.003 0.000 0.803 522 E CB -0.395 29.314 29.700 0.016 0.000 0.750 522 E HN 0.626 nan 8.360 nan 0.000 0.448 523 T N 2.014 116.578 114.554 0.017 0.000 2.620 523 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 523 T C 2.054 176.743 174.700 -0.018 0.000 1.044 523 T CA 2.128 64.236 62.100 0.013 0.000 1.161 523 T CB -0.335 68.555 68.868 0.036 0.000 0.862 523 T HN 0.255 nan 8.240 nan 0.000 0.438 524 I N 0.133 120.679 120.570 -0.040 0.000 2.546 524 I HA -0.031 4.139 4.170 -0.000 0.000 0.255 524 I C 2.162 178.182 176.117 -0.161 0.000 1.163 524 I CA 0.492 61.709 61.300 -0.139 0.000 1.457 524 I CB -0.244 37.637 38.000 -0.199 0.000 1.092 524 I HN 0.161 nan 8.210 nan 0.000 0.434 525 L N 1.839 123.001 121.223 -0.102 0.000 2.240 525 L HA -0.098 4.242 4.340 -0.000 0.000 0.211 525 L C 2.060 178.887 176.870 -0.072 0.000 1.106 525 L CA 1.603 56.385 54.840 -0.096 0.000 0.793 525 L CB -0.605 41.404 42.059 -0.083 0.000 0.927 525 L HN 0.217 nan 8.230 nan 0.000 0.446 526 K N -1.451 118.917 120.400 -0.053 0.000 2.627 526 K HA 0.112 4.432 4.320 -0.000 0.000 0.212 526 K C -0.074 176.505 176.600 -0.034 0.000 1.041 526 K CA 0.558 56.823 56.287 -0.037 0.000 1.205 526 K CB -0.528 31.958 32.500 -0.023 0.000 0.936 526 K HN 0.398 nan 8.250 nan 0.000 0.489 527 N N 0.180 118.851 118.700 -0.048 0.000 2.143 527 N HA 0.037 4.777 4.740 -0.000 0.000 0.229 527 N C -0.586 174.907 175.510 -0.028 0.000 1.294 527 N CA -0.335 52.693 53.050 -0.036 0.000 0.883 527 N CB 1.584 40.046 38.487 -0.041 0.000 1.148 527 N HN 0.165 nan 8.380 nan 0.000 0.511 533 N N 1.520 120.209 118.700 -0.018 0.000 2.372 533 N HA 0.664 5.404 4.740 -0.000 0.000 0.291 533 N C -2.742 172.749 175.510 -0.031 0.000 1.024 533 N CA -1.760 51.275 53.050 -0.026 0.000 0.873 533 N CB 1.644 40.114 38.487 -0.028 0.000 1.206 533 N HN 0.439 nan 8.380 nan 0.000 0.486 534 P HA 0.236 nan 4.420 nan 0.000 0.277 534 P C -1.008 176.257 177.300 -0.060 0.000 1.240 534 P CA -0.262 62.810 63.100 -0.047 0.000 0.798 534 P CB 0.494 32.158 31.700 -0.060 0.000 0.979 535 Q N 1.611 121.374 119.800 -0.062 0.000 2.347 535 Q HA 0.511 4.851 4.340 -0.000 0.000 0.265 535 Q C -0.589 175.354 176.000 -0.096 0.000 1.024 535 Q CA -0.630 55.130 55.803 -0.072 0.000 0.731 535 Q CB 0.721 29.426 28.738 -0.055 0.000 1.245 535 Q HN 0.340 nan 8.270 nan 0.000 0.472 536 I N 2.461 122.956 120.570 -0.125 0.000 2.754 536 I HA 0.187 4.357 4.170 -0.000 0.000 0.285 536 I C 0.500 176.524 176.117 -0.154 0.000 1.166 536 I CA 0.134 61.334 61.300 -0.168 0.000 1.417 536 I CB 0.925 38.777 38.000 -0.247 0.000 1.382 536 I HN 0.715 nan 8.210 nan 0.000 0.588 537 T N 4.170 118.612 114.554 -0.187 0.000 2.881 537 T HA 0.433 4.783 4.350 -0.000 0.000 0.290 537 T C -0.610 173.929 174.700 -0.267 0.000 1.000 537 T CA -0.998 60.970 62.100 -0.220 0.000 0.978 537 T CB 1.743 70.454 68.868 -0.261 0.000 0.997 537 T HN 0.682 nan 8.240 nan 0.000 0.443 538 R N 2.670 123.102 120.500 -0.113 0.000 2.404 538 R HA 0.550 4.890 4.340 -0.000 0.000 0.291 538 R C -1.113 175.106 176.300 -0.135 0.000 1.025 538 R CA -0.772 55.366 56.100 0.063 0.000 0.991 538 R CB 0.490 30.944 30.300 0.256 0.000 1.053 538 R HN 0.598 nan 8.270 nan 0.000 0.479 539 F N 3.458 123.485 119.950 0.127 0.000 2.309 539 F HA 0.261 4.788 4.527 -0.000 0.000 0.366 539 F C 1.316 177.111 175.800 -0.008 0.000 1.104 539 F CA -0.354 57.676 58.000 0.049 0.000 1.179 539 F CB 1.280 40.305 39.000 0.041 0.000 1.437 539 F HN 0.692 nan 8.300 nan 0.000 0.528 540 K N 1.922 122.400 120.400 0.131 0.000 2.611 540 K HA 0.505 4.825 4.320 -0.000 0.000 0.193 540 K C 0.879 177.476 176.600 -0.006 0.000 1.026 540 K CA 0.547 56.832 56.287 -0.003 0.000 1.063 540 K CB -0.939 31.478 32.500 -0.138 0.000 0.839 540 K HN 0.992 nan 8.250 nan 0.000 0.505 541 G N -3.913 104.921 108.800 0.056 0.000 2.326 541 G HA2 0.405 4.364 3.960 -0.000 0.000 0.413 541 G HA3 0.405 4.364 3.960 -0.000 0.000 0.413 541 G C 0.903 175.806 174.900 0.006 0.000 1.444 541 G CA -0.058 45.053 45.100 0.018 0.000 1.002 541 G HN 1.150 nan 8.290 nan 0.000 0.649 542 L N 0.310 121.517 121.223 -0.027 0.000 2.081 542 L HA 0.285 4.624 4.340 -0.000 0.000 0.212 542 L C 3.067 179.907 176.870 -0.049 0.000 1.080 542 L CA 3.372 58.174 54.840 -0.062 0.000 0.754 542 L CB -1.478 40.544 42.059 -0.062 0.000 0.893 542 L HN 2.113 nan 8.230 nan 0.000 0.433 543 G N 0.064 108.852 108.800 -0.021 0.000 2.443 543 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.219 543 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.219 543 G C 1.330 176.232 174.900 0.003 0.000 1.131 543 G CA 0.687 45.779 45.100 -0.012 0.000 0.775 543 G HN 0.923 nan 8.290 nan 0.000 0.547 544 E N -0.779 119.436 120.200 0.025 0.000 2.437 544 E HA 0.302 4.652 4.350 -0.000 0.000 0.189 544 E C 0.570 177.230 176.600 0.101 0.000 1.054 544 E CA -0.352 56.088 56.400 0.066 0.000 0.874 544 E CB 0.005 29.757 29.700 0.086 0.000 1.011 544 E HN 0.268 nan 8.360 nan 0.000 0.474 545 M N 2.851 122.461 119.600 0.017 0.000 2.205 545 M HA 0.223 4.703 4.480 -0.000 0.000 0.344 545 M C -0.419 175.856 176.300 -0.042 0.000 1.085 545 M CA -0.656 54.613 55.300 -0.051 0.000 1.001 545 M CB 1.552 33.987 32.600 -0.275 0.000 1.626 545 M HN 0.144 nan 8.290 nan 0.000 0.442 546 N N 2.036 120.736 118.700 -0.001 0.000 2.492 546 N HA 0.255 4.994 4.740 -0.000 0.000 0.260 546 N C 0.804 176.285 175.510 -0.048 0.000 1.215 546 N CA -0.177 52.869 53.050 -0.008 0.000 0.923 546 N CB 1.092 39.595 38.487 0.026 0.000 1.092 546 N HN 0.763 nan 8.380 nan 0.000 0.448 547 A N 2.508 125.296 122.820 -0.053 0.000 1.948 547 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 547 A C 2.636 180.170 177.584 -0.082 0.000 1.177 547 A CA 2.297 54.286 52.037 -0.080 0.000 0.636 547 A CB -1.370 17.589 19.000 -0.069 0.000 0.815 547 A HN 0.834 nan 8.150 nan 0.000 0.449 548 I N -1.242 119.299 120.570 -0.048 0.000 2.286 548 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 548 I C 2.320 178.414 176.117 -0.038 0.000 1.115 548 I CA 2.392 63.672 61.300 -0.035 0.000 1.392 548 I CB -1.367 36.631 38.000 -0.003 0.000 1.065 548 I HN 0.612 nan 8.210 nan 0.000 0.418 549 Q N -0.710 119.073 119.800 -0.028 0.000 2.331 549 Q HA 0.063 4.402 4.340 -0.000 0.000 0.203 549 Q C 2.161 178.050 176.000 -0.186 0.000 0.944 549 Q CA 0.903 56.688 55.803 -0.031 0.000 0.892 549 Q CB 0.147 28.937 28.738 0.086 0.000 0.983 549 Q HN 0.735 nan 8.270 nan 0.000 0.482 550 L N 0.768 121.878 121.223 -0.188 0.000 2.044 550 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 550 L C 2.296 179.019 176.870 -0.245 0.000 1.075 550 L CA 1.700 56.395 54.840 -0.241 0.000 0.747 550 L CB -0.320 41.612 42.059 -0.212 0.000 0.903 550 L HN 0.025 nan 8.230 nan 0.000 0.435 551 R N -0.447 119.932 120.500 -0.202 0.000 2.073 551 R HA -0.214 4.126 4.340 -0.000 0.000 0.234 551 R C 2.297 178.485 176.300 -0.185 0.000 1.134 551 R CA 1.871 57.851 56.100 -0.200 0.000 0.952 551 R CB -0.296 29.915 30.300 -0.149 0.000 0.850 551 R HN 0.514 nan 8.270 nan 0.000 0.433 552 E N -0.629 119.469 120.200 -0.170 0.000 2.153 552 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 552 E C 1.392 177.844 176.600 -0.247 0.000 0.988 552 E CA 1.747 58.047 56.400 -0.166 0.000 0.811 552 E CB 0.149 29.773 29.700 -0.127 0.000 0.746 552 E HN 0.551 nan 8.360 nan 0.000 0.466 553 T N -3.823 110.528 114.554 -0.338 0.000 3.037 553 T HA 0.021 4.371 4.350 -0.000 0.000 0.252 553 T C 1.658 176.208 174.700 -0.250 0.000 1.073 553 T CA 0.964 62.824 62.100 -0.400 0.000 1.091 553 T CB 0.534 69.048 68.868 -0.590 0.000 0.935 553 T HN 0.156 nan 8.240 nan 0.000 0.488 554 T N -2.116 112.302 114.554 -0.228 0.000 3.092 554 T HA 0.401 4.750 4.350 -0.000 0.000 0.273 554 T C 1.411 175.983 174.700 -0.213 0.000 0.898 554 T CA -0.423 61.568 62.100 -0.181 0.000 0.868 554 T CB 0.072 68.827 68.868 -0.188 0.000 1.228 554 T HN 0.101 nan 8.240 nan 0.000 0.555 555 M N 1.633 121.074 119.600 -0.265 0.000 2.731 555 M HA 0.315 4.795 4.480 -0.000 0.000 0.231 555 M C 0.505 176.717 176.300 -0.146 0.000 1.295 555 M CA 0.446 55.536 55.300 -0.351 0.000 1.283 555 M CB -1.033 31.319 32.600 -0.414 0.000 1.146 555 M HN 0.271 nan 8.290 nan 0.000 0.523 556 D N 2.820 123.154 120.400 -0.110 0.000 2.472 556 D HA 0.003 4.643 4.640 -0.000 0.000 0.248 556 D C -2.051 174.258 176.300 0.015 0.000 1.174 556 D CA -1.165 52.826 54.000 -0.016 0.000 0.883 556 D CB 1.082 41.868 40.800 -0.023 0.000 1.149 556 D HN -0.052 nan 8.370 nan 0.000 0.488 557 P HA -0.127 nan 4.420 nan 0.000 0.218 557 P C 0.426 177.737 177.300 0.018 0.000 1.148 557 P CA 0.967 64.103 63.100 0.060 0.000 0.822 557 P CB 0.112 31.871 31.700 0.099 0.000 0.784 558 N N -1.153 117.557 118.700 0.016 0.000 2.413 558 N HA 0.037 4.777 4.740 -0.000 0.000 0.207 558 N C 0.265 175.770 175.510 -0.008 0.000 1.206 558 N CA 0.991 54.041 53.050 0.001 0.000 0.832 558 N CB -0.009 38.480 38.487 0.003 0.000 1.037 558 N HN 0.296 nan 8.380 nan 0.000 0.467 559 T N -3.259 111.283 114.554 -0.020 0.000 3.416 559 T HA 0.034 4.384 4.350 -0.000 0.000 0.298 559 T C 0.325 174.992 174.700 -0.055 0.000 0.874 559 T CA -0.564 61.515 62.100 -0.035 0.000 0.901 559 T CB 0.114 68.954 68.868 -0.047 0.000 1.215 559 T HN 0.234 nan 8.240 nan 0.000 0.677 560 R N 1.477 121.949 120.500 -0.047 0.000 2.210 560 R HA 0.757 5.097 4.340 -0.000 0.000 0.338 560 R C 0.256 176.537 176.300 -0.030 0.000 1.062 560 R CA -0.627 55.439 56.100 -0.056 0.000 0.902 560 R CB 0.023 30.299 30.300 -0.040 0.000 1.050 560 R HN 0.283 nan 8.270 nan 0.000 0.461 561 R N 2.859 123.339 120.500 -0.032 0.000 2.570 561 R HA 0.256 4.596 4.340 -0.000 0.000 0.277 561 R C -0.402 175.901 176.300 0.005 0.000 1.039 561 R CA -0.001 56.096 56.100 -0.005 0.000 1.065 561 R CB -0.061 30.242 30.300 0.005 0.000 0.964 561 R HN 0.702 nan 8.270 nan 0.000 0.428 562 L N 2.257 123.490 121.223 0.017 0.000 2.830 562 L HA 0.410 4.750 4.340 -0.000 0.000 0.259 562 L C -1.112 175.786 176.870 0.046 0.000 0.943 562 L CA -0.632 54.225 54.840 0.029 0.000 0.997 562 L CB 1.936 44.000 42.059 0.008 0.000 1.427 562 L HN 0.466 nan 8.230 nan 0.000 0.456 563 V N 4.221 124.159 119.914 0.040 0.000 2.649 563 V HA 0.352 4.472 4.120 -0.000 0.000 0.292 563 V C 0.376 176.514 176.094 0.072 0.000 1.055 563 V CA -0.206 62.106 62.300 0.020 0.000 1.023 563 V CB 1.585 33.371 31.823 -0.062 0.000 0.992 563 V HN 0.861 nan 8.190 nan 0.000 0.480 564 Q N 3.986 123.823 119.800 0.063 0.000 2.503 564 Q HA 0.511 4.850 4.340 -0.000 0.000 0.227 564 Q C -0.476 175.420 176.000 -0.174 0.000 1.109 564 Q CA -0.532 55.264 55.803 -0.012 0.000 0.922 564 Q CB 0.921 29.715 28.738 0.093 0.000 1.249 564 Q HN 0.831 nan 8.270 nan 0.000 0.530 565 L N 2.724 123.768 121.223 -0.297 0.000 2.410 565 L HA 0.314 4.654 4.340 -0.000 0.000 0.273 565 L C -0.130 176.611 176.870 -0.215 0.000 1.144 565 L CA 0.062 54.741 54.840 -0.269 0.000 0.863 565 L CB 0.428 42.277 42.059 -0.351 0.000 1.140 565 L HN 0.638 nan 8.230 nan 0.000 0.463 566 D N 2.716 123.042 120.400 -0.123 0.000 2.391 566 D HA 0.367 5.007 4.640 -0.000 0.000 0.245 566 D C 1.054 177.330 176.300 -0.040 0.000 1.069 566 D CA -0.430 53.520 54.000 -0.083 0.000 0.831 566 D CB 2.469 43.238 40.800 -0.052 0.000 1.204 566 D HN 0.551 nan 8.370 nan 0.000 0.503 567 L N 2.973 124.177 121.223 -0.031 0.000 1.970 567 L HA -0.163 4.176 4.340 -0.000 0.000 0.212 567 L C 0.089 176.970 176.870 0.020 0.000 1.071 567 L CA 2.083 56.926 54.840 0.005 0.000 0.751 567 L CB -0.404 41.664 42.059 0.015 0.000 0.889 567 L HN 0.490 nan 8.230 nan 0.000 0.432 568 D N -1.399 119.011 120.400 0.016 0.000 3.632 568 D HA -0.239 4.401 4.640 -0.000 0.000 0.193 568 D C -0.150 176.174 176.300 0.040 0.000 1.293 568 D CA 1.406 55.422 54.000 0.027 0.000 1.100 568 D CB -1.381 39.437 40.800 0.030 0.000 0.619 568 D HN 0.738 nan 8.370 nan 0.000 0.733 569 D N -0.004 120.427 120.400 0.052 0.000 2.443 569 D HA 0.470 5.110 4.640 -0.000 0.000 0.239 569 D C 0.847 177.195 176.300 0.081 0.000 1.136 569 D CA 0.254 54.300 54.000 0.076 0.000 0.879 569 D CB 0.848 41.700 40.800 0.087 0.000 1.195 569 D HN 0.534 nan 8.370 nan 0.000 0.443 570 A N 2.151 125.022 122.820 0.085 0.000 1.872 570 A HA -0.191 4.128 4.320 -0.000 0.000 0.214 570 A C 1.961 179.547 177.584 0.004 0.000 1.187 570 A CA 0.999 53.047 52.037 0.019 0.000 0.614 570 A CB -0.882 18.077 19.000 -0.067 0.000 0.826 570 A HN 0.803 nan 8.150 nan 0.000 0.442 571 H N -0.461 118.630 119.070 0.035 0.000 2.290 571 H HA -0.144 4.412 4.556 -0.000 0.000 0.298 571 H C 2.236 177.586 175.328 0.036 0.000 1.087 571 H CA 1.798 57.866 56.048 0.033 0.000 1.291 571 H CB -0.515 29.259 29.762 0.020 0.000 1.369 571 H HN 0.499 nan 8.280 nan 0.000 0.492 572 L N 0.678 121.992 121.223 0.151 0.000 2.042 572 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 572 L C 2.201 179.104 176.870 0.056 0.000 1.076 572 L CA 1.596 56.486 54.840 0.084 0.000 0.749 572 L CB -0.441 41.657 42.059 0.066 0.000 0.893 572 L HN 0.160 nan 8.230 nan 0.000 0.432 573 T N 0.391 114.982 114.554 0.062 0.000 2.523 573 T HA -0.166 4.184 4.350 -0.000 0.000 0.253 573 T C 1.913 176.661 174.700 0.080 0.000 1.139 573 T CA 1.569 63.699 62.100 0.050 0.000 1.230 573 T CB -0.670 68.237 68.868 0.066 0.000 0.871 573 T HN 0.575 nan 8.240 nan 0.000 0.396 574 A N 1.254 124.167 122.820 0.156 0.000 2.009 574 A HA -0.121 4.199 4.320 -0.000 0.000 0.222 574 A C 2.479 180.220 177.584 0.261 0.000 1.175 574 A CA 2.394 54.624 52.037 0.321 0.000 0.651 574 A CB -1.553 17.523 19.000 0.126 0.000 0.815 574 A HN 0.601 nan 8.150 nan 0.000 0.459 575 G N -0.432 108.438 108.800 0.117 0.000 2.414 575 G HA2 -0.096 3.863 3.960 -0.000 0.000 0.215 575 G HA3 -0.096 3.863 3.960 -0.000 0.000 0.215 575 G C 1.508 176.418 174.900 0.017 0.000 1.188 575 G CA 1.088 46.235 45.100 0.078 0.000 0.783 575 G HN 0.634 nan 8.290 nan 0.000 0.537 576 L N 0.569 121.770 121.223 -0.037 0.000 2.017 576 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 576 L C 2.697 179.405 176.870 -0.270 0.000 1.073 576 L CA 1.510 56.261 54.840 -0.148 0.000 0.745 576 L CB -0.326 41.656 42.059 -0.129 0.000 0.894 576 L HN 0.208 nan 8.230 nan 0.000 0.432 577 L N -0.791 120.245 121.223 -0.311 0.000 2.141 577 L HA -0.188 4.151 4.340 -0.000 0.000 0.209 577 L C 2.174 178.668 176.870 -0.627 0.000 1.094 577 L CA 1.485 55.925 54.840 -0.665 0.000 0.763 577 L CB -0.905 40.455 42.059 -1.165 0.000 0.908 577 L HN 0.363 nan 8.230 nan 0.000 0.437 578 D N 0.589 120.982 120.400 -0.011 0.000 2.087 578 D HA -0.253 4.387 4.640 -0.000 0.000 0.192 578 D C 2.227 178.532 176.300 0.007 0.000 0.993 578 D CA 1.419 55.626 54.000 0.344 0.000 0.828 578 D CB 0.055 41.086 40.800 0.384 0.000 0.968 578 D HN 0.082 nan 8.370 nan 0.000 0.448 579 K N -0.035 120.316 120.400 -0.081 0.000 2.144 579 K HA -0.228 4.091 4.320 -0.000 0.000 0.209 579 K C 1.971 178.410 176.600 -0.269 0.000 1.047 579 K CA 1.212 57.402 56.287 -0.162 0.000 0.927 579 K CB -0.163 32.201 32.500 -0.226 0.000 0.716 579 K HN 0.233 nan 8.250 nan 0.000 0.454 580 L N 0.173 121.140 121.223 -0.426 0.000 2.034 580 L HA -0.075 4.265 4.340 -0.000 0.000 0.203 580 L C 1.671 178.270 176.870 -0.452 0.000 1.074 580 L CA 0.823 55.303 54.840 -0.600 0.000 0.748 580 L CB -0.118 41.414 42.059 -0.878 0.000 0.905 580 L HN 0.203 nan 8.230 nan 0.000 0.439 581 L N -0.570 120.412 121.223 -0.401 0.000 2.984 581 L HA 0.424 4.764 4.340 -0.000 0.000 0.246 581 L C 0.339 177.250 176.870 0.068 0.000 1.268 581 L CA -0.468 54.265 54.840 -0.179 0.000 1.054 581 L CB -0.165 41.749 42.059 -0.241 0.000 1.393 581 L HN -0.020 nan 8.230 nan 0.000 0.532 582 A N 0.723 123.585 122.820 0.069 0.000 2.316 582 A HA 0.221 4.541 4.320 -0.000 0.000 0.311 582 A C 1.332 178.974 177.584 0.095 0.000 1.339 582 A CA -0.438 51.679 52.037 0.134 0.000 0.960 582 A CB 0.556 19.625 19.000 0.117 0.000 1.152 582 A HN 0.407 nan 8.150 nan 0.000 0.547 583 K N 1.949 122.412 120.400 0.104 0.000 2.293 583 K HA -0.229 4.090 4.320 -0.000 0.000 0.204 583 K C 1.944 178.585 176.600 0.069 0.000 1.045 583 K CA 2.113 58.452 56.287 0.087 0.000 0.933 583 K CB -0.068 32.482 32.500 0.082 0.000 0.736 583 K HN 0.674 nan 8.250 nan 0.000 0.463 584 K N -0.087 120.351 120.400 0.063 0.000 2.314 584 K HA 0.054 4.373 4.320 -0.000 0.000 0.198 584 K C 2.038 178.668 176.600 0.049 0.000 1.045 584 K CA 1.071 57.388 56.287 0.049 0.000 0.988 584 K CB -0.619 31.906 32.500 0.040 0.000 0.783 584 K HN 0.406 nan 8.250 nan 0.000 0.484 585 R N 0.169 120.700 120.500 0.053 0.000 2.362 585 R HA 0.635 4.975 4.340 -0.000 0.000 0.227 585 R C 2.416 178.748 176.300 0.053 0.000 0.905 585 R CA 1.030 57.157 56.100 0.045 0.000 1.067 585 R CB -1.099 29.220 30.300 0.031 0.000 1.078 585 R HN 0.652 nan 8.270 nan 0.000 0.516 586 A N 0.952 123.813 122.820 0.068 0.000 2.067 586 A HA -0.083 4.236 4.320 -0.000 0.000 0.224 586 A C 2.712 180.351 177.584 0.092 0.000 1.172 586 A CA 2.114 54.204 52.037 0.089 0.000 0.662 586 A CB -0.750 18.302 19.000 0.086 0.000 0.814 586 A HN 1.006 nan 8.150 nan 0.000 0.468 587 A N -0.141 122.723 122.820 0.072 0.000 1.877 587 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 587 A C 1.754 179.388 177.584 0.085 0.000 1.186 587 A CA 2.023 54.102 52.037 0.069 0.000 0.620 587 A CB -0.626 18.406 19.000 0.053 0.000 0.822 587 A HN 0.496 nan 8.150 nan 0.000 0.443 588 D N -0.873 119.577 120.400 0.083 0.000 2.144 588 D HA -0.064 4.575 4.640 -0.000 0.000 0.200 588 D C 2.100 178.506 176.300 0.176 0.000 0.978 588 D CA 1.002 55.062 54.000 0.100 0.000 0.833 588 D CB -0.258 40.578 40.800 0.059 0.000 0.961 588 D HN 0.368 nan 8.370 nan 0.000 0.470 589 R N 0.772 121.385 120.500 0.188 0.000 2.112 589 R HA -0.197 4.143 4.340 -0.000 0.000 0.242 589 R C 2.081 178.593 176.300 0.354 0.000 1.137 589 R CA 1.630 57.947 56.100 0.361 0.000 0.944 589 R CB -0.199 30.284 30.300 0.304 0.000 0.857 589 R HN 0.127 nan 8.270 nan 0.000 0.435 590 K N 0.630 121.148 120.400 0.197 0.000 1.988 590 K HA -0.346 3.974 4.320 -0.000 0.000 0.221 590 K C 2.140 178.804 176.600 0.107 0.000 1.053 590 K CA 2.277 58.636 56.287 0.119 0.000 0.959 590 K CB -0.294 32.253 32.500 0.079 0.000 0.728 590 K HN 0.264 nan 8.250 nan 0.000 0.447 591 Q N 0.090 119.960 119.800 0.116 0.000 1.954 591 Q HA -0.290 4.050 4.340 -0.000 0.000 0.215 591 Q C 1.923 178.009 176.000 0.143 0.000 1.026 591 Q CA 2.823 58.692 55.803 0.109 0.000 0.881 591 Q CB -0.826 27.981 28.738 0.115 0.000 0.977 591 Q HN 0.605 nan 8.270 nan 0.000 0.416 592 W N 1.178 122.494 121.300 0.027 0.000 2.244 592 W HA -0.344 4.315 4.660 -0.001 0.000 0.336 592 W C 1.897 178.434 176.519 0.030 0.000 1.352 592 W CA 2.846 60.209 57.345 0.030 0.000 1.343 592 W CB -0.940 28.542 29.460 0.037 0.000 1.111 592 W HN 0.370 nan 8.180 nan 0.000 0.481 593 L N 0.065 121.099 121.223 -0.314 0.000 1.994 593 L HA -0.160 4.179 4.340 -0.000 0.000 0.208 593 L C 2.912 179.609 176.870 -0.290 0.000 1.071 593 L CA 2.416 56.929 54.840 -0.544 0.000 0.745 593 L CB -2.079 39.777 42.059 -0.338 0.000 0.892 593 L HN 0.226 nan 8.230 nan 0.000 0.431 594 E N -0.166 119.953 120.200 -0.136 0.000 2.267 594 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 594 E C 2.056 178.616 176.600 -0.066 0.000 0.998 594 E CA 1.389 57.742 56.400 -0.079 0.000 0.830 594 E CB -0.475 29.207 29.700 -0.031 0.000 0.751 594 E HN 0.533 nan 8.360 nan 0.000 0.491 595 Q N -0.910 118.852 119.800 -0.065 0.000 2.226 595 Q HA 0.162 4.502 4.340 -0.000 0.000 0.199 595 Q C 1.512 177.473 176.000 -0.065 0.000 0.945 595 Q CA 1.443 57.231 55.803 -0.025 0.000 0.861 595 Q CB 0.282 29.051 28.738 0.051 0.000 0.953 595 Q HN 0.586 nan 8.270 nan 0.000 0.490 1011 N N -0.713 118.001 118.700 0.023 0.000 2.238 1011 N HA 0.839 5.578 4.740 -0.000 0.000 0.302 1011 N C -0.138 175.381 175.510 0.015 0.000 1.072 1011 N CA -0.357 52.697 53.050 0.007 0.000 0.792 1011 N CB 1.932 40.419 38.487 0.001 0.000 1.425 1011 N HN 0.927 nan 8.380 nan 0.000 0.478 1012 R N 0.129 120.628 120.500 -0.002 0.000 2.854 1012 R HA 0.632 4.971 4.340 -0.000 0.000 0.271 1012 R C -0.109 176.200 176.300 0.015 0.000 0.996 1012 R CA -0.879 55.245 56.100 0.039 0.000 0.961 1012 R CB 0.908 31.276 30.300 0.112 0.000 1.182 1012 R HN 0.663 nan 8.270 nan 0.000 0.479 1013 S N 0.698 116.432 115.700 0.057 0.000 2.545 1013 S HA 0.277 4.747 4.470 -0.000 0.000 0.275 1013 S C 1.421 176.066 174.600 0.075 0.000 1.299 1013 S CA -0.063 58.163 58.200 0.043 0.000 1.048 1013 S CB 1.235 64.466 63.200 0.052 0.000 0.938 1013 S HN 0.824 nan 8.310 nan 0.000 0.496 1014 V N 4.229 124.162 119.914 0.031 0.000 2.252 1014 V HA -0.345 3.775 4.120 -0.000 0.000 0.255 1014 V C 2.948 179.121 176.094 0.132 0.000 1.071 1014 V CA 2.829 65.170 62.300 0.067 0.000 1.050 1014 V CB -1.821 30.023 31.823 0.035 0.000 0.654 1014 V HN 1.050 nan 8.190 nan 0.000 0.448 1015 A N -0.835 122.033 122.820 0.081 0.000 1.845 1015 A HA -0.270 4.050 4.320 -0.000 0.000 0.215 1015 A C 2.326 179.963 177.584 0.089 0.000 1.195 1015 A CA 1.882 53.954 52.037 0.058 0.000 0.616 1015 A CB -0.693 18.329 19.000 0.036 0.000 0.832 1015 A HN 0.571 nan 8.150 nan 0.000 0.443 1016 E N -0.838 119.426 120.200 0.107 0.000 2.114 1016 E HA -0.249 4.100 4.350 -0.000 0.000 0.199 1016 E C 1.787 178.485 176.600 0.163 0.000 1.008 1016 E CA 1.957 58.430 56.400 0.122 0.000 0.810 1016 E CB -0.310 29.461 29.700 0.118 0.000 0.739 1016 E HN 0.635 nan 8.360 nan 0.000 0.456 1017 F N 1.131 121.105 119.950 0.041 0.000 2.104 1017 F HA -0.123 4.404 4.527 -0.000 0.000 0.288 1017 F C 2.684 178.524 175.800 0.066 0.000 1.107 1017 F CA 2.386 60.416 58.000 0.051 0.000 1.208 1017 F CB -0.867 38.154 39.000 0.035 0.000 1.033 1017 F HN 0.034 nan 8.300 nan 0.000 0.478 1018 T N -1.906 112.778 114.554 0.216 0.000 2.996 1018 T HA -0.223 4.127 4.350 -0.000 0.000 0.271 1018 T C 1.691 176.392 174.700 0.003 0.000 1.126 1018 T CA 1.589 63.724 62.100 0.058 0.000 1.103 1018 T CB -0.617 68.327 68.868 0.126 0.000 0.870 1018 T HN 0.629 nan 8.240 nan 0.000 0.528 1019 E N 0.233 120.448 120.200 0.026 0.000 2.099 1019 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 1019 E C 2.368 179.067 176.600 0.165 0.000 0.962 1019 E CA 0.247 56.711 56.400 0.106 0.000 0.826 1019 E CB -0.213 29.540 29.700 0.088 0.000 0.788 1019 E HN 0.487 nan 8.360 nan 0.000 0.461 1020 Q N 0.939 120.768 119.800 0.049 0.000 2.112 1020 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 1020 Q C 1.793 177.771 176.000 -0.037 0.000 0.987 1020 Q CA 1.820 57.630 55.803 0.011 0.000 0.858 1020 Q CB -0.179 28.538 28.738 -0.034 0.000 0.905 1020 Q HN 0.298 nan 8.270 nan 0.000 0.420 1021 A N -0.101 122.613 122.820 -0.177 0.000 1.826 1021 A HA -0.196 4.124 4.320 -0.000 0.000 0.214 1021 A C 2.002 179.635 177.584 0.081 0.000 1.212 1021 A CA 1.293 53.239 52.037 -0.152 0.000 0.605 1021 A CB -1.462 17.320 19.000 -0.364 0.000 0.861 1021 A HN 0.528 nan 8.150 nan 0.000 0.447 1022 Y N -0.103 120.235 120.300 0.064 0.000 2.228 1022 Y HA -0.254 4.296 4.550 -0.001 0.000 0.285 1022 Y C 2.127 178.241 175.900 0.356 0.000 1.178 1022 Y CA 1.932 60.170 58.100 0.231 0.000 1.202 1022 Y CB -0.188 38.388 38.460 0.193 0.000 0.974 1022 Y HN 0.326 nan 8.280 nan 0.000 0.527 1023 L N 0.842 122.349 121.223 0.473 0.000 1.994 1023 L HA -0.248 4.091 4.340 -0.000 0.000 0.208 1023 L C 2.370 179.249 176.870 0.015 0.000 1.071 1023 L CA 2.293 57.235 54.840 0.171 0.000 0.745 1023 L CB -1.306 40.805 42.059 0.086 0.000 0.892 1023 L HN 0.340 nan 8.230 nan 0.000 0.431 1024 N N -1.012 117.712 118.700 0.041 0.000 2.049 1024 N HA -0.358 4.381 4.740 -0.000 0.000 0.198 1024 N C 2.029 177.572 175.510 0.055 0.000 1.030 1024 N CA 2.386 55.448 53.050 0.020 0.000 0.870 1024 N CB -0.570 37.920 38.487 0.005 0.000 1.045 1024 N HN 0.554 nan 8.380 nan 0.000 0.434 1025 Y N 1.468 121.710 120.300 -0.098 0.000 2.034 1025 Y HA -0.183 4.366 4.550 -0.001 0.000 0.269 1025 Y C 2.624 178.437 175.900 -0.144 0.000 1.125 1025 Y CA 2.217 60.225 58.100 -0.154 0.000 1.097 1025 Y CB -1.230 37.016 38.460 -0.357 0.000 0.978 1025 Y HN 0.211 nan 8.280 nan 0.000 0.480 1026 A N 0.835 123.477 122.820 -0.296 0.000 1.882 1026 A HA -0.339 3.981 4.320 -0.000 0.000 0.220 1026 A C 2.302 179.732 177.584 -0.258 0.000 1.253 1026 A CA 2.977 54.810 52.037 -0.339 0.000 0.664 1026 A CB -1.065 17.866 19.000 -0.116 0.000 0.838 1026 A HN 0.594 nan 8.150 nan 0.000 0.460 1027 M N -2.198 117.299 119.600 -0.172 0.000 2.144 1027 M HA -0.189 4.291 4.480 -0.000 0.000 0.260 1027 M C 2.160 178.418 176.300 -0.069 0.000 1.067 1027 M CA 1.849 57.074 55.300 -0.124 0.000 1.095 1027 M CB -1.432 31.107 32.600 -0.102 0.000 1.365 1027 M HN 0.685 nan 8.290 nan 0.000 0.406 1028 Y N 1.035 121.230 120.300 -0.174 0.000 2.145 1028 Y HA -0.203 4.347 4.550 -0.000 0.000 0.286 1028 Y C 2.432 178.226 175.900 -0.176 0.000 1.145 1028 Y CA 2.017 60.035 58.100 -0.137 0.000 1.148 1028 Y CB 0.011 38.414 38.460 -0.095 0.000 0.981 1028 Y HN 0.075 nan 8.280 nan 0.000 0.507 1029 V N -0.665 119.031 119.914 -0.363 0.000 2.809 1029 V HA -0.168 3.951 4.120 -0.000 0.000 0.256 1029 V C 1.836 177.745 176.094 -0.308 0.000 1.080 1029 V CA 1.563 63.602 62.300 -0.434 0.000 1.102 1029 V CB -0.678 30.836 31.823 -0.515 0.000 0.705 1029 V HN 0.504 nan 8.190 nan 0.000 0.475 1030 I N -0.437 119.985 120.570 -0.247 0.000 2.162 1030 I HA -0.128 4.042 4.170 -0.000 0.000 0.238 1030 I C 2.836 178.861 176.117 -0.154 0.000 1.076 1030 I CA 1.907 63.106 61.300 -0.169 0.000 1.353 1030 I CB -0.360 37.560 38.000 -0.134 0.000 1.063 1030 I HN 0.274 nan 8.210 nan 0.000 0.408 1031 M N 0.335 119.843 119.600 -0.153 0.000 2.074 1031 M HA -0.124 4.356 4.480 -0.000 0.000 0.259 1031 M C 0.688 176.893 176.300 -0.158 0.000 1.079 1031 M CA 1.713 56.944 55.300 -0.116 0.000 1.119 1031 M CB -1.087 31.473 32.600 -0.068 0.000 1.297 1031 M HN 0.135 nan 8.290 nan 0.000 0.416 1032 D N 0.104 120.327 120.400 -0.294 0.000 2.894 1032 D HA 0.217 4.857 4.640 -0.000 0.000 0.248 1032 D C 1.174 177.191 176.300 -0.472 0.000 1.291 1032 D CA 0.110 53.902 54.000 -0.346 0.000 0.840 1032 D CB 0.760 41.358 40.800 -0.338 0.000 1.044 1032 D HN 0.414 nan 8.370 nan 0.000 0.484 1033 R N -0.398 119.912 120.500 -0.317 0.000 5.238 1033 R HA 0.122 4.462 4.340 -0.000 0.000 0.061 1033 R C 0.867 177.093 176.300 -0.122 0.000 0.721 1033 R CA 0.340 56.306 56.100 -0.224 0.000 1.410 1033 R CB -0.541 29.573 30.300 -0.309 0.000 1.353 1033 R HN -0.032 nan 8.270 nan 0.000 0.401 1034 A N 1.273 124.012 122.820 -0.134 0.000 2.067 1034 A HA 0.263 4.583 4.320 -0.000 0.000 0.217 1034 A C 0.230 177.783 177.584 -0.052 0.000 1.156 1034 A CA 0.559 52.550 52.037 -0.077 0.000 0.683 1034 A CB 0.032 18.982 19.000 -0.083 0.000 0.808 1034 A HN 0.097 nan 8.150 nan 0.000 0.455 1035 L N 0.131 121.315 121.223 -0.066 0.000 2.322 1035 L HA 0.483 4.823 4.340 -0.000 0.000 0.279 1035 L C -2.512 174.345 176.870 -0.022 0.000 1.036 1035 L CA -2.226 52.588 54.840 -0.043 0.000 0.807 1035 L CB 1.287 43.311 42.059 -0.058 0.000 1.226 1035 L HN -0.082 nan 8.230 nan 0.000 0.433 1036 P HA 0.122 nan 4.420 nan 0.000 0.274 1036 P C -0.691 176.630 177.300 0.035 0.000 1.231 1036 P CA -0.171 62.946 63.100 0.028 0.000 0.790 1036 P CB 0.450 32.166 31.700 0.027 0.000 0.951 1037 H N 2.023 121.087 119.070 -0.011 0.000 2.509 1037 H HA 0.235 4.790 4.556 -0.000 0.000 0.359 1037 H C 0.855 176.195 175.328 0.020 0.000 1.253 1037 H CA -0.187 55.857 56.048 -0.006 0.000 1.373 1037 H CB 1.099 30.849 29.762 -0.020 0.000 1.555 1037 H HN 0.374 nan 8.280 nan 0.000 0.586 1038 I N 1.305 121.917 120.570 0.069 0.000 2.585 1038 I HA -0.181 3.989 4.170 -0.000 0.000 0.254 1038 I C 1.888 178.188 176.117 0.306 0.000 1.129 1038 I CA 0.869 62.249 61.300 0.132 0.000 1.455 1038 I CB -0.086 37.944 38.000 0.050 0.000 1.111 1038 I HN 0.598 nan 8.210 nan 0.000 0.433 1039 S N 2.096 118.046 115.700 0.416 0.000 2.392 1039 S HA -0.299 4.171 4.470 -0.000 0.000 0.225 1039 S C 1.449 176.262 174.600 0.354 0.000 1.041 1039 S CA 2.096 60.504 58.200 0.347 0.000 1.100 1039 S CB -1.052 62.225 63.200 0.129 0.000 1.029 1039 S HN 0.725 nan 8.310 nan 0.000 0.424 1040 D N 0.112 120.623 120.400 0.185 0.000 2.367 1040 D HA 0.321 4.961 4.640 -0.000 0.000 0.207 1040 D C 1.273 177.630 176.300 0.097 0.000 1.034 1040 D CA 0.505 54.573 54.000 0.114 0.000 0.861 1040 D CB -0.754 40.060 40.800 0.024 0.000 0.943 1040 D HN 0.737 nan 8.370 nan 0.000 0.515 1041 G N 0.422 109.291 108.800 0.114 0.000 2.246 1041 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.273 1041 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.273 1041 G C -0.305 174.643 174.900 0.080 0.000 1.055 1041 G CA 0.274 45.423 45.100 0.082 0.000 0.851 1041 G HN 0.382 nan 8.290 nan 0.000 0.500 1042 L N -0.560 120.709 121.223 0.077 0.000 2.365 1042 L HA 0.491 4.831 4.340 -0.000 0.000 0.273 1042 L C 0.765 177.664 176.870 0.047 0.000 1.000 1042 L CA -1.107 53.769 54.840 0.061 0.000 0.819 1042 L CB 1.719 43.797 42.059 0.031 0.000 1.284 1042 L HN 0.089 nan 8.230 nan 0.000 0.418 1043 K N 2.495 122.919 120.400 0.040 0.000 2.138 1043 K HA 0.220 4.539 4.320 -0.000 0.000 0.251 1043 K C -1.767 174.840 176.600 0.012 0.000 1.015 1043 K CA -1.474 54.825 56.287 0.021 0.000 0.917 1043 K CB 0.616 33.127 32.500 0.018 0.000 1.021 1043 K HN 0.242 nan 8.250 nan 0.000 0.485 1044 P HA -0.147 nan 4.420 nan 0.000 0.214 1044 P C 1.463 178.780 177.300 0.029 0.000 1.162 1044 P CA 0.593 63.716 63.100 0.038 0.000 0.874 1044 P CB 0.146 31.896 31.700 0.083 0.000 0.784 1045 V N -0.430 119.479 119.914 -0.009 0.000 2.568 1045 V HA -0.307 3.813 4.120 -0.000 0.000 0.253 1045 V C 2.402 178.420 176.094 -0.127 0.000 1.072 1045 V CA 1.958 64.103 62.300 -0.258 0.000 1.084 1045 V CB -0.932 30.673 31.823 -0.364 0.000 0.676 1045 V HN 0.113 nan 8.190 nan 0.000 0.469 1046 Q N -0.810 118.962 119.800 -0.047 0.000 2.046 1046 Q HA -0.206 4.134 4.340 -0.000 0.000 0.200 1046 Q C 2.485 178.469 176.000 -0.025 0.000 0.975 1046 Q CA 2.031 57.821 55.803 -0.021 0.000 0.836 1046 Q CB -0.175 28.577 28.738 0.023 0.000 0.896 1046 Q HN 0.567 nan 8.270 nan 0.000 0.428 1047 R N 0.223 120.706 120.500 -0.028 0.000 2.062 1047 R HA -0.089 4.251 4.340 -0.000 0.000 0.231 1047 R C 2.230 178.509 176.300 -0.035 0.000 1.136 1047 R CA 1.281 57.351 56.100 -0.049 0.000 0.948 1047 R CB 0.006 30.251 30.300 -0.091 0.000 0.845 1047 R HN 0.121 nan 8.270 nan 0.000 0.430 1048 R N 0.248 120.733 120.500 -0.025 0.000 2.119 1048 R HA -0.206 4.134 4.340 -0.000 0.000 0.246 1048 R C 2.348 178.683 176.300 0.058 0.000 1.146 1048 R CA 2.062 58.177 56.100 0.024 0.000 0.962 1048 R CB -0.593 29.779 30.300 0.120 0.000 0.863 1048 R HN 0.340 nan 8.270 nan 0.000 0.442 1049 I N -0.009 120.570 120.570 0.016 0.000 2.090 1049 I HA -0.288 3.882 4.170 -0.000 0.000 0.236 1049 I C 2.405 178.531 176.117 0.014 0.000 1.064 1049 I CA 1.332 62.646 61.300 0.024 0.000 1.324 1049 I CB -0.379 37.617 38.000 -0.006 0.000 1.044 1049 I HN -0.013 nan 8.210 nan 0.000 0.399 1050 V N 0.239 120.149 119.914 -0.007 0.000 2.380 1050 V HA -0.334 3.786 4.120 -0.000 0.000 0.251 1050 V C 2.260 178.357 176.094 0.006 0.000 1.063 1050 V CA 2.132 64.421 62.300 -0.018 0.000 1.055 1050 V CB -0.761 31.042 31.823 -0.033 0.000 0.657 1050 V HN 0.460 nan 8.190 nan 0.000 0.455 1051 Y N 1.291 121.517 120.300 -0.123 0.000 2.200 1051 Y HA -0.109 4.441 4.550 -0.000 0.000 0.290 1051 Y C 2.336 178.186 175.900 -0.084 0.000 1.137 1051 Y CA 1.291 59.300 58.100 -0.151 0.000 1.163 1051 Y CB -0.662 37.628 38.460 -0.283 0.000 0.988 1051 Y HN 0.143 nan 8.280 nan 0.000 0.518 1052 A N 0.599 123.327 122.820 -0.153 0.000 1.978 1052 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 1052 A C 2.299 179.828 177.584 -0.092 0.000 1.170 1052 A CA 2.109 54.099 52.037 -0.077 0.000 0.636 1052 A CB -0.771 18.323 19.000 0.156 0.000 0.810 1052 A HN 0.607 nan 8.150 nan 0.000 0.448 1053 M N -1.546 118.012 119.600 -0.070 0.000 2.288 1053 M HA -0.059 4.421 4.480 -0.000 0.000 0.266 1053 M C 2.468 178.723 176.300 -0.075 0.000 1.072 1053 M CA 1.255 56.526 55.300 -0.049 0.000 1.132 1053 M CB -0.270 32.308 32.600 -0.036 0.000 1.386 1053 M HN 0.503 nan 8.290 nan 0.000 0.432 1054 S N 0.467 116.097 115.700 -0.115 0.000 2.345 1054 S HA -0.111 4.359 4.470 -0.000 0.000 0.220 1054 S C 1.615 176.141 174.600 -0.123 0.000 1.031 1054 S CA 1.125 59.263 58.200 -0.104 0.000 0.996 1054 S CB -0.112 63.033 63.200 -0.091 0.000 0.882 1054 S HN 0.400 nan 8.310 nan 0.000 0.445 1055 E N 0.314 120.377 120.200 -0.229 0.000 2.510 1055 E HA -0.034 4.316 4.350 -0.000 0.000 0.202 1055 E C 0.867 177.418 176.600 -0.081 0.000 1.072 1055 E CA 0.435 56.730 56.400 -0.176 0.000 0.883 1055 E CB -0.069 29.459 29.700 -0.286 0.000 0.818 1055 E HN 0.466 nan 8.360 nan 0.000 0.548 1056 L N -0.341 120.843 121.223 -0.064 0.000 2.741 1056 L HA 0.187 4.527 4.340 -0.000 0.000 0.237 1056 L C 1.012 177.868 176.870 -0.023 0.000 1.178 1056 L CA -0.003 54.820 54.840 -0.028 0.000 0.973 1056 L CB 0.477 42.527 42.059 -0.014 0.000 1.255 1056 L HN 0.102 nan 8.230 nan 0.000 0.498 1057 G N 0.613 109.395 108.800 -0.031 0.000 2.198 1057 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.260 1057 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.260 1057 G C 0.356 175.247 174.900 -0.016 0.000 1.025 1057 G CA 0.028 45.116 45.100 -0.019 0.000 0.769 1057 G HN 0.323 nan 8.290 nan 0.000 0.507 1058 L N -0.015 121.194 121.223 -0.024 0.000 2.968 1058 L HA 0.257 4.597 4.340 -0.000 0.000 0.235 1058 L C 1.293 178.149 176.870 -0.024 0.000 1.323 1058 L CA -0.297 54.530 54.840 -0.021 0.000 1.159 1058 L CB -0.056 41.988 42.059 -0.024 0.000 1.523 1058 L HN 0.151 nan 8.230 nan 0.000 0.468 1059 K N -0.113 120.277 120.400 -0.017 0.000 2.380 1059 K HA -0.038 4.281 4.320 -0.000 0.000 0.267 1059 K C 1.541 178.134 176.600 -0.012 0.000 0.990 1059 K CA 0.386 56.664 56.287 -0.014 0.000 0.946 1059 K CB 0.797 33.295 32.500 -0.003 0.000 0.937 1059 K HN 0.146 nan 8.250 nan 0.000 0.491 1060 S N 0.772 116.466 115.700 -0.009 0.000 2.419 1060 S HA -0.178 4.291 4.470 -0.000 0.000 0.235 1060 S C 1.690 176.294 174.600 0.006 0.000 1.019 1060 S CA 1.827 60.024 58.200 -0.004 0.000 0.982 1060 S CB -0.345 62.861 63.200 0.010 0.000 0.789 1060 S HN 0.660 nan 8.310 nan 0.000 0.490 1061 S N 0.198 115.905 115.700 0.012 0.000 2.481 1061 S HA 0.313 4.783 4.470 -0.000 0.000 0.231 1061 S C 1.157 175.763 174.600 0.010 0.000 0.996 1061 S CA 0.250 58.459 58.200 0.016 0.000 0.942 1061 S CB -0.752 62.460 63.200 0.019 0.000 0.768 1061 S HN 0.734 nan 8.310 nan 0.000 0.520 1062 G N 0.696 109.499 108.800 0.005 0.000 2.736 1062 G HA2 0.557 4.517 3.960 -0.000 0.000 0.229 1062 G HA3 0.557 4.517 3.960 -0.000 0.000 0.229 1062 G C -0.789 174.113 174.900 0.003 0.000 1.380 1062 G CA -1.043 44.059 45.100 0.005 0.000 1.040 1062 G HN 0.280 nan 8.290 nan 0.000 0.568 1063 K N 0.419 120.822 120.400 0.005 0.000 2.095 1063 K HA 0.412 4.732 4.320 -0.000 0.000 0.252 1063 K C -2.303 174.300 176.600 0.006 0.000 0.977 1063 K CA -1.265 55.027 56.287 0.007 0.000 0.900 1063 K CB 1.575 34.082 32.500 0.012 0.000 1.060 1063 K HN 0.189 nan 8.250 nan 0.000 0.449 1064 P HA 0.200 nan 4.420 nan 0.000 0.274 1064 P C -1.147 176.170 177.300 0.028 0.000 1.256 1064 P CA -0.367 62.742 63.100 0.016 0.000 0.795 1064 P CB 0.508 32.226 31.700 0.030 0.000 1.038 1065 K N 0.190 120.614 120.400 0.039 0.000 2.523 1065 K HA 0.330 4.650 4.320 -0.000 0.000 0.257 1065 K C -0.320 176.315 176.600 0.057 0.000 0.932 1065 K CA -0.954 55.357 56.287 0.040 0.000 0.812 1065 K CB 0.816 33.331 32.500 0.025 0.000 1.326 1065 K HN 0.309 nan 8.250 nan 0.000 0.433 1066 K N 1.004 121.433 120.400 0.049 0.000 2.619 1066 K HA -0.044 4.276 4.320 -0.000 0.000 0.278 1066 K C 0.866 177.496 176.600 0.050 0.000 0.969 1066 K CA 0.803 57.118 56.287 0.046 0.000 1.042 1066 K CB 0.478 32.987 32.500 0.015 0.000 0.845 1066 K HN 0.718 nan 8.250 nan 0.000 0.497 1067 S N 1.645 117.371 115.700 0.044 0.000 2.395 1067 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 1067 S C 1.892 176.465 174.600 -0.046 0.000 1.027 1067 S CA 0.971 59.199 58.200 0.045 0.000 0.965 1067 S CB -0.007 63.203 63.200 0.016 0.000 0.812 1067 S HN 0.724 nan 8.310 nan 0.000 0.482 1068 A N 2.116 124.876 122.820 -0.100 0.000 1.958 1068 A HA -0.213 4.106 4.320 -0.000 0.000 0.221 1068 A C 2.079 179.645 177.584 -0.030 0.000 1.178 1068 A CA 1.790 53.770 52.037 -0.096 0.000 0.642 1068 A CB -0.557 18.393 19.000 -0.083 0.000 0.816 1068 A HN 0.433 nan 8.150 nan 0.000 0.453 1069 R N -1.140 119.356 120.500 -0.006 0.000 2.073 1069 R HA -0.089 4.251 4.340 -0.000 0.000 0.229 1069 R C 2.177 178.496 176.300 0.030 0.000 1.120 1069 R CA 1.789 57.897 56.100 0.013 0.000 0.967 1069 R CB -0.509 29.799 30.300 0.014 0.000 0.862 1069 R HN 0.522 nan 8.270 nan 0.000 0.436 1070 T N 0.603 115.181 114.554 0.041 0.000 2.652 1070 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 1070 T C 1.851 176.598 174.700 0.078 0.000 1.039 1070 T CA 1.647 63.783 62.100 0.060 0.000 1.153 1070 T CB -0.232 68.680 68.868 0.073 0.000 0.863 1070 T HN 0.030 nan 8.240 nan 0.000 0.428 1071 V N 1.434 121.393 119.914 0.074 0.000 2.295 1071 V HA -0.093 4.027 4.120 -0.000 0.000 0.246 1071 V C 2.922 179.066 176.094 0.085 0.000 1.049 1071 V CA 1.909 64.264 62.300 0.091 0.000 1.024 1071 V CB -1.471 30.396 31.823 0.074 0.000 0.648 1071 V HN 0.622 nan 8.190 nan 0.000 0.447 1072 G N -0.447 108.384 108.800 0.051 0.000 2.503 1072 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.221 1072 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.221 1072 G C 1.243 176.180 174.900 0.062 0.000 1.131 1072 G CA 1.406 46.535 45.100 0.048 0.000 0.756 1072 G HN 0.511 nan 8.290 nan 0.000 0.572 1073 D N -0.514 119.927 120.400 0.068 0.000 2.162 1073 D HA 0.014 4.653 4.640 -0.000 0.000 0.205 1073 D C 2.791 179.164 176.300 0.123 0.000 0.964 1073 D CA 0.229 54.271 54.000 0.069 0.000 0.847 1073 D CB -0.300 40.540 40.800 0.067 0.000 0.988 1073 D HN 0.132 nan 8.370 nan 0.000 0.480 1074 V N 1.218 121.239 119.914 0.177 0.000 2.282 1074 V HA -0.254 3.866 4.120 -0.000 0.000 0.249 1074 V C 2.524 178.794 176.094 0.293 0.000 1.057 1074 V CA 1.367 63.830 62.300 0.273 0.000 1.032 1074 V CB -0.476 31.474 31.823 0.211 0.000 0.645 1074 V HN 0.264 nan 8.190 nan 0.000 0.447 1075 L N 0.056 121.412 121.223 0.222 0.000 2.093 1075 L HA -0.030 4.309 4.340 -0.000 0.000 0.208 1075 L C 2.634 179.621 176.870 0.196 0.000 1.085 1075 L CA 1.607 56.569 54.840 0.204 0.000 0.755 1075 L CB -1.289 40.851 42.059 0.135 0.000 0.904 1075 L HN 0.489 nan 8.230 nan 0.000 0.435 1076 G N 0.947 109.833 108.800 0.144 0.000 2.470 1076 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 1076 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 1076 G C 1.490 176.464 174.900 0.123 0.000 1.121 1076 G CA 1.032 46.201 45.100 0.115 0.000 0.766 1076 G HN 0.578 nan 8.290 nan 0.000 0.553 1077 K N -2.614 117.797 120.400 0.019 0.000 2.608 1077 K HA 0.283 4.603 4.320 -0.000 0.000 0.209 1077 K C 0.406 176.673 176.600 -0.556 0.000 1.369 1077 K CA -0.160 55.893 56.287 -0.391 0.000 1.029 1077 K CB 0.314 32.421 32.500 -0.656 0.000 1.139 1077 K HN 0.238 nan 8.250 nan 0.000 0.623 1078 Y N -0.013 120.521 120.300 0.390 0.000 2.619 1078 Y HA 0.257 4.807 4.550 -0.001 0.000 0.273 1078 Y C -0.107 176.092 175.900 0.499 0.000 1.175 1078 Y CA -0.347 57.974 58.100 0.369 0.000 1.157 1078 Y CB 0.713 39.346 38.460 0.289 0.000 1.329 1078 Y HN 0.224 nan 8.280 nan 0.000 0.503 1079 H N 2.194 121.533 119.070 0.449 0.000 2.607 1079 H HA 0.398 4.953 4.556 -0.000 0.000 0.248 1079 H C -2.985 172.373 175.328 0.050 0.000 1.355 1079 H CA -2.358 53.849 56.048 0.266 0.000 1.524 1079 H CB 1.332 31.265 29.762 0.285 0.000 1.563 1079 H HN -0.195 nan 8.280 nan 0.000 0.509 1080 P HA 0.212 nan 4.420 nan 0.000 0.232 1080 P C -0.590 176.265 177.300 -0.741 0.000 1.814 1080 P CA 0.271 63.030 63.100 -0.569 0.000 1.085 1080 P CB 0.333 31.443 31.700 -0.982 0.000 1.901 1081 H N 0.222 119.231 119.070 -0.102 0.000 4.005 1081 H HA 0.422 4.978 4.556 -0.000 0.000 0.376 1081 H C 0.726 176.099 175.328 0.075 0.000 1.632 1081 H CA -0.538 55.488 56.048 -0.036 0.000 1.103 1081 H CB 0.179 29.896 29.762 -0.075 0.000 1.413 1081 H HN 0.209 nan 8.280 nan 0.000 0.736 1082 G N 0.605 109.577 108.800 0.287 0.000 2.559 1082 G HA2 0.006 3.966 3.960 -0.000 0.000 0.235 1082 G HA3 0.006 3.966 3.960 -0.000 0.000 0.235 1082 G C 0.659 175.688 174.900 0.214 0.000 1.266 1082 G CA 0.443 45.665 45.100 0.204 0.000 0.847 1082 G HN 0.701 nan 8.290 nan 0.000 0.583 1083 D N 0.072 120.571 120.400 0.164 0.000 2.324 1083 D HA -0.085 4.554 4.640 -0.000 0.000 0.212 1083 D C 2.065 178.475 176.300 0.183 0.000 0.984 1083 D CA 0.768 54.864 54.000 0.161 0.000 0.885 1083 D CB -0.167 40.700 40.800 0.112 0.000 0.996 1083 D HN 0.383 nan 8.370 nan 0.000 0.505 1084 S N 1.090 116.894 115.700 0.174 0.000 2.344 1084 S HA -0.126 4.343 4.470 -0.000 0.000 0.217 1084 S C 2.348 177.064 174.600 0.193 0.000 1.033 1084 S CA 2.057 60.381 58.200 0.205 0.000 1.017 1084 S CB -0.598 62.702 63.200 0.167 0.000 0.941 1084 S HN 0.394 nan 8.310 nan 0.000 0.430 1085 A N 0.759 123.676 122.820 0.161 0.000 1.896 1085 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 1085 A C 2.692 180.351 177.584 0.125 0.000 1.206 1085 A CA 2.234 54.354 52.037 0.138 0.000 0.647 1085 A CB -1.829 17.261 19.000 0.150 0.000 0.828 1085 A HN 0.774 nan 8.150 nan 0.000 0.455 1086 C N -2.189 117.207 119.300 0.159 0.000 2.413 1086 C HA -0.177 4.283 4.460 -0.000 0.000 0.278 1086 C C 2.508 177.576 174.990 0.129 0.000 1.224 1086 C CA 1.485 60.576 59.018 0.123 0.000 1.732 1086 C CB -1.420 26.418 27.740 0.163 0.000 2.050 1086 C HN 0.736 nan 8.230 nan 0.000 0.463 1087 Y N 1.642 121.960 120.300 0.029 0.000 2.256 1087 Y HA -0.116 4.434 4.550 -0.001 0.000 0.288 1087 Y C 2.244 178.095 175.900 -0.082 0.000 1.155 1087 Y CA 2.279 60.371 58.100 -0.013 0.000 1.203 1087 Y CB -0.729 37.723 38.460 -0.014 0.000 0.980 1087 Y HN 0.526 nan 8.280 nan 0.000 0.530 1088 E N -0.519 119.568 120.200 -0.187 0.000 2.107 1088 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 1088 E C 2.305 178.796 176.600 -0.181 0.000 0.982 1088 E CA 0.782 56.999 56.400 -0.304 0.000 0.809 1088 E CB -0.228 29.453 29.700 -0.031 0.000 0.756 1088 E HN 0.504 nan 8.360 nan 0.000 0.459 1089 A N 1.002 123.784 122.820 -0.063 0.000 2.067 1089 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 1089 A C 2.037 179.589 177.584 -0.053 0.000 1.158 1089 A CA 0.956 52.976 52.037 -0.027 0.000 0.661 1089 A CB -0.398 18.599 19.000 -0.005 0.000 0.801 1089 A HN 0.278 nan 8.150 nan 0.000 0.452 1090 M N -0.755 118.810 119.600 -0.058 0.000 2.447 1090 M HA 0.008 4.488 4.480 -0.000 0.000 0.264 1090 M C 1.430 177.715 176.300 -0.025 0.000 1.095 1090 M CA 1.068 56.357 55.300 -0.018 0.000 1.125 1090 M CB -0.006 32.664 32.600 0.117 0.000 1.389 1090 M HN 0.133 nan 8.290 nan 0.000 0.459 1091 V N 1.016 120.816 119.914 -0.189 0.000 2.323 1091 V HA -0.243 3.876 4.120 -0.000 0.000 0.244 1091 V C 2.329 178.380 176.094 -0.072 0.000 1.041 1091 V CA 1.362 63.572 62.300 -0.149 0.000 1.025 1091 V CB -0.649 30.711 31.823 -0.772 0.000 0.656 1091 V HN 0.510 nan 8.190 nan 0.000 0.451 1092 L N -0.424 120.758 121.223 -0.070 0.000 1.990 1092 L HA -0.257 4.082 4.340 -0.000 0.000 0.213 1092 L C 2.373 179.186 176.870 -0.094 0.000 1.072 1092 L CA 2.270 57.130 54.840 0.033 0.000 0.755 1092 L CB -0.542 41.594 42.059 0.129 0.000 0.889 1092 L HN 0.242 nan 8.230 nan 0.000 0.432 1093 M N -1.512 117.888 119.600 -0.334 0.000 2.195 1093 M HA -0.222 4.257 4.480 -0.000 0.000 0.260 1093 M C 1.915 177.856 176.300 -0.598 0.000 1.066 1093 M CA 1.820 56.619 55.300 -0.836 0.000 1.089 1093 M CB -0.433 31.842 32.600 -0.543 0.000 1.377 1093 M HN 0.451 nan 8.290 nan 0.000 0.411 1094 A N -0.777 121.819 122.820 -0.374 0.000 2.251 1094 A HA 0.042 4.362 4.320 -0.000 0.000 0.209 1094 A C 0.643 178.020 177.584 -0.346 0.000 1.187 1094 A CA 0.103 51.891 52.037 -0.414 0.000 0.823 1094 A CB -0.124 18.487 19.000 -0.650 0.000 0.846 1094 A HN 0.449 nan 8.150 nan 0.000 0.486 1095 Q N 0.181 119.813 119.800 -0.280 0.000 2.349 1095 Q HA 0.176 4.516 4.340 -0.000 0.000 0.254 1095 Q C -1.888 173.823 176.000 -0.480 0.000 0.980 1095 Q CA -2.098 53.422 55.803 -0.473 0.000 0.924 1095 Q CB 1.100 29.569 28.738 -0.449 0.000 1.209 1095 Q HN 0.151 nan 8.270 nan 0.000 0.445 1096 P HA -0.219 nan 4.420 nan 0.000 0.216 1096 P C 0.730 177.933 177.300 -0.162 0.000 1.157 1096 P CA 1.555 64.486 63.100 -0.283 0.000 0.880 1096 P CB 0.035 31.609 31.700 -0.210 0.000 0.791 1097 F N -2.629 117.368 119.950 0.078 0.000 2.615 1097 F HA 0.225 4.752 4.527 0.000 0.000 0.297 1097 F C 1.796 177.691 175.800 0.158 0.000 1.124 1097 F CA 0.487 58.546 58.000 0.098 0.000 1.451 1097 F CB -1.474 37.574 39.000 0.079 0.000 1.103 1097 F HN -0.210 nan 8.300 nan 0.000 0.569 1098 S N -2.030 113.835 115.700 0.275 0.000 2.499 1098 S HA 0.129 4.598 4.470 -0.000 0.000 0.225 1098 S C -0.357 174.397 174.600 0.256 0.000 1.050 1098 S CA -0.034 58.354 58.200 0.313 0.000 0.928 1098 S CB -0.167 63.200 63.200 0.278 0.000 0.803 1098 S HN 0.266 nan 8.310 nan 0.000 0.506 1099 Y N 1.834 122.134 120.300 -0.000 0.000 2.331 1099 Y HA 0.436 4.985 4.550 -0.001 0.000 0.338 1099 Y C 0.979 176.793 175.900 -0.143 0.000 0.976 1099 Y CA -1.051 57.019 58.100 -0.049 0.000 1.137 1099 Y CB 1.033 39.445 38.460 -0.081 0.000 1.172 1099 Y HN -0.118 nan 8.280 nan 0.000 0.478 1100 R N 2.536 122.931 120.500 -0.177 0.000 2.073 1100 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 1100 R C -0.874 175.046 176.300 -0.635 0.000 1.134 1100 R CA 1.780 57.656 56.100 -0.375 0.000 0.952 1100 R CB -0.362 29.721 30.300 -0.361 0.000 0.850 1100 R HN 0.638 nan 8.270 nan 0.000 0.433 1101 Y N 0.442 120.610 120.300 -0.220 0.000 2.555 1101 Y HA 0.427 4.977 4.550 -0.000 0.000 0.326 1101 Y C -2.122 173.670 175.900 -0.181 0.000 0.984 1101 Y CA -3.229 54.607 58.100 -0.440 0.000 1.298 1101 Y CB 1.504 39.217 38.460 -1.245 0.000 1.094 1101 Y HN 0.054 nan 8.280 nan 0.000 0.500 1102 P HA 0.045 nan 4.420 nan 0.000 0.266 1102 P C 0.650 177.936 177.300 -0.023 0.000 1.195 1102 P CA 0.239 63.303 63.100 -0.061 0.000 0.768 1102 P CB 1.035 32.651 31.700 -0.139 0.000 0.838 1103 L N 2.300 123.425 121.223 -0.162 0.000 2.270 1103 L HA 0.158 4.498 4.340 -0.000 0.000 0.210 1103 L C 0.976 177.759 176.870 -0.146 0.000 1.104 1103 L CA 0.910 55.701 54.840 -0.083 0.000 0.804 1103 L CB -0.104 41.863 42.059 -0.152 0.000 0.937 1103 L HN 0.365 nan 8.230 nan 0.000 0.450 1104 I N -0.306 120.118 120.570 -0.242 0.000 2.646 1104 I HA 0.201 4.371 4.170 -0.000 0.000 0.299 1104 I C -0.200 175.726 176.117 -0.317 0.000 1.036 1104 I CA -0.492 60.647 61.300 -0.268 0.000 1.074 1104 I CB 2.752 40.562 38.000 -0.316 0.000 1.258 1104 I HN -0.041 nan 8.210 nan 0.000 0.430 1105 E N 4.230 124.244 120.200 -0.310 0.000 2.141 1105 E HA 0.483 4.833 4.350 -0.000 0.000 0.259 1105 E C -0.593 175.720 176.600 -0.480 0.000 0.883 1105 E CA -0.527 55.671 56.400 -0.336 0.000 0.744 1105 E CB 1.498 31.084 29.700 -0.190 0.000 1.150 1105 E HN 0.800 nan 8.360 nan 0.000 0.420 1106 G N 2.673 110.965 108.800 -0.846 0.000 2.448 1106 G HA2 0.250 4.210 3.960 -0.000 0.000 0.285 1106 G HA3 0.250 4.210 3.960 -0.000 0.000 0.285 1106 G C -0.695 173.899 174.900 -0.510 0.000 1.176 1106 G CA -0.362 43.954 45.100 -1.306 0.000 0.852 1106 G HN 0.458 nan 8.290 nan 0.000 0.530 1107 Q N -0.167 119.653 119.800 0.033 0.000 2.333 1107 Q HA 0.600 4.940 4.340 -0.000 0.000 0.267 1107 Q C 0.311 176.621 176.000 0.517 0.000 1.012 1107 Q CA 0.645 56.583 55.803 0.224 0.000 0.824 1107 Q CB 1.426 30.249 28.738 0.143 0.000 1.290 1107 Q HN 1.705 nan 8.270 nan 0.000 0.449 1108 G N 3.177 112.199 108.800 0.370 0.000 2.627 1108 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.214 1108 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.214 1108 G C -0.811 174.310 174.900 0.368 0.000 1.331 1108 G CA -0.507 44.774 45.100 0.301 0.000 0.891 1108 G HN 0.789 nan 8.290 nan 0.000 0.539 1109 N N 0.573 119.370 118.700 0.163 0.000 2.423 1109 N HA 0.171 4.910 4.740 -0.000 0.000 0.275 1109 N C -0.015 175.508 175.510 0.021 0.000 1.283 1109 N CA 0.172 53.303 53.050 0.134 0.000 0.932 1109 N CB -0.196 38.331 38.487 0.068 0.000 1.185 1109 N HN 0.491 nan 8.380 nan 0.000 0.483 1110 W N 3.265 124.666 121.300 0.169 0.000 2.570 1110 W HA 0.438 5.098 4.660 -0.001 0.000 0.410 1110 W C 0.933 177.616 176.519 0.274 0.000 0.889 1110 W CA 0.056 57.498 57.345 0.161 0.000 2.386 1110 W CB -0.083 29.395 29.460 0.029 0.000 1.228 1110 W HN 0.744 nan 8.180 nan 0.000 0.692 1111 G N 1.010 110.077 108.800 0.445 0.000 2.699 1111 G HA2 0.096 4.056 3.960 -0.000 0.000 0.686 1111 G HA3 0.096 4.056 3.960 -0.000 0.000 0.686 1111 G C -0.238 174.948 174.900 0.477 0.000 1.301 1111 G CA -0.569 44.808 45.100 0.461 0.000 0.816 1111 G HN 0.363 nan 8.290 nan 0.000 0.595 1112 S N 0.523 116.345 115.700 0.203 0.000 2.600 1112 S HA 0.820 5.290 4.470 -0.000 0.000 0.300 1112 S C -1.617 172.636 174.600 -0.579 0.000 1.087 1112 S CA -1.008 57.203 58.200 0.019 0.000 0.965 1112 S CB 2.870 66.072 63.200 0.003 0.000 1.089 1112 S HN 0.437 nan 8.310 nan 0.000 0.496 1113 P HA -0.131 nan 4.420 nan 0.000 0.216 1113 P C 0.822 177.833 177.300 -0.481 0.000 1.150 1113 P CA 1.400 63.960 63.100 -0.900 0.000 0.843 1113 P CB 0.009 31.526 31.700 -0.306 0.000 0.787 1114 D N -1.321 118.918 120.400 -0.269 0.000 2.123 1114 D HA -0.124 4.516 4.640 -0.000 0.000 0.200 1114 D C 0.241 176.448 176.300 -0.154 0.000 0.976 1114 D CA 1.086 54.989 54.000 -0.161 0.000 0.831 1114 D CB -0.251 40.494 40.800 -0.092 0.000 0.974 1114 D HN -0.067 nan 8.370 nan 0.000 0.469 1115 D N -1.559 118.746 120.400 -0.159 0.000 2.468 1115 D HA 0.221 4.861 4.640 -0.000 0.000 0.272 1115 D C -2.094 174.157 176.300 -0.081 0.000 1.221 1115 D CA -2.012 51.922 54.000 -0.110 0.000 0.860 1115 D CB 1.286 42.042 40.800 -0.073 0.000 1.190 1115 D HN -0.122 nan 8.370 nan 0.000 0.509 1116 P HA -0.200 nan 4.420 nan 0.000 0.218 1116 P C 0.782 178.203 177.300 0.202 0.000 1.152 1116 P CA 1.310 64.474 63.100 0.106 0.000 0.857 1116 P CB 0.282 32.053 31.700 0.117 0.000 0.787 1117 K N -0.876 119.545 120.400 0.035 0.000 2.417 1117 K HA 0.137 4.456 4.320 -0.000 0.000 0.196 1117 K C 1.387 177.744 176.600 -0.404 0.000 1.023 1117 K CA 0.560 56.778 56.287 -0.115 0.000 1.122 1117 K CB -0.257 32.180 32.500 -0.105 0.000 0.850 1117 K HN 0.224 nan 8.250 nan 0.000 0.521 1118 S N 1.018 116.606 115.700 -0.187 0.000 2.701 1118 S HA 0.001 4.471 4.470 -0.000 0.000 0.220 1118 S C 0.642 175.135 174.600 -0.178 0.000 0.954 1118 S CA -0.738 57.348 58.200 -0.190 0.000 0.936 1118 S CB -1.154 62.007 63.200 -0.064 0.000 0.777 1118 S HN 0.286 nan 8.310 nan 0.000 0.518 1119 F N 1.115 121.062 119.950 -0.005 0.000 2.496 1119 F HA 0.712 5.239 4.527 0.000 0.000 0.344 1119 F C 0.544 176.289 175.800 -0.092 0.000 1.155 1119 F CA -1.095 56.870 58.000 -0.060 0.000 1.302 1119 F CB 0.036 38.966 39.000 -0.117 0.000 1.159 1119 F HN 0.142 nan 8.300 nan 0.000 0.595 1120 A N 1.793 124.711 122.820 0.164 0.000 2.304 1120 A HA 0.658 4.978 4.320 -0.000 0.000 0.271 1120 A C 0.204 177.915 177.584 0.210 0.000 1.091 1120 A CA -0.380 51.709 52.037 0.088 0.000 0.812 1120 A CB -0.137 18.861 19.000 -0.002 0.000 1.056 1120 A HN 1.335 nan 8.150 nan 0.000 0.489 1121 A N 1.174 124.076 122.820 0.136 0.000 2.425 1121 A HA 0.381 4.700 4.320 -0.000 0.000 0.242 1121 A C 1.290 178.855 177.584 -0.031 0.000 1.077 1121 A CA 0.330 52.463 52.037 0.160 0.000 0.781 1121 A CB -0.230 18.811 19.000 0.068 0.000 1.020 1121 A HN 1.530 nan 8.150 nan 0.000 0.494 1122 M N 1.839 121.235 119.600 -0.340 0.000 2.446 1122 M HA -0.070 4.410 4.480 -0.000 0.000 0.263 1122 M C 1.255 177.338 176.300 -0.361 0.000 1.066 1122 M CA 1.025 55.810 55.300 -0.857 0.000 1.087 1122 M CB -0.359 31.353 32.600 -1.480 0.000 1.406 1122 M HN 0.773 nan 8.290 nan 0.000 0.459 1126 E N 0.460 120.853 120.200 0.321 0.000 2.227 1126 E HA 0.792 5.142 4.350 -0.000 0.000 0.268 1126 E C -0.629 176.158 176.600 0.313 0.000 0.907 1126 E CA -1.490 55.063 56.400 0.254 0.000 0.786 1126 E CB 2.399 32.188 29.700 0.148 0.000 1.191 1126 E HN 1.047 nan 8.360 nan 0.000 0.411 1127 A N 1.891 124.815 122.820 0.174 0.000 2.606 1127 A HA 0.564 4.884 4.320 -0.000 0.000 0.293 1127 A C -1.042 176.524 177.584 -0.030 0.000 1.082 1127 A CA -0.880 51.157 52.037 -0.001 0.000 0.685 1127 A CB 1.576 20.494 19.000 -0.137 0.000 1.284 1127 A HN 0.644 nan 8.150 nan 0.000 0.408 1128 K N 0.574 120.921 120.400 -0.087 0.000 2.158 1128 K HA 0.842 5.162 4.320 -0.000 0.000 0.243 1128 K C -0.939 175.600 176.600 -0.101 0.000 1.079 1128 K CA -0.763 55.483 56.287 -0.068 0.000 0.920 1128 K CB 0.567 33.039 32.500 -0.047 0.000 1.400 1128 K HN 0.524 nan 8.250 nan 0.000 0.561 1129 L N 0.943 122.120 121.223 -0.078 0.000 2.416 1129 L HA 0.268 4.608 4.340 -0.000 0.000 0.262 1129 L C 0.458 177.280 176.870 -0.080 0.000 1.093 1129 L CA -0.799 53.989 54.840 -0.086 0.000 0.801 1129 L CB 1.715 43.733 42.059 -0.068 0.000 1.191 1129 L HN 0.736 nan 8.230 nan 0.000 0.459 1130 S N 0.169 115.824 115.700 -0.076 0.000 2.601 1130 S HA 0.354 4.823 4.470 -0.000 0.000 0.271 1130 S C 0.942 175.529 174.600 -0.021 0.000 1.305 1130 S CA -0.001 58.177 58.200 -0.038 0.000 1.022 1130 S CB 1.622 64.821 63.200 -0.002 0.000 0.940 1130 S HN 0.664 nan 8.310 nan 0.000 0.525 1131 A N 3.480 126.313 122.820 0.022 0.000 1.969 1131 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 1131 A C 1.776 179.263 177.584 -0.161 0.000 1.169 1131 A CA 1.500 53.555 52.037 0.029 0.000 0.635 1131 A CB -1.126 17.980 19.000 0.176 0.000 0.810 1131 A HN 1.050 nan 8.150 nan 0.000 0.445 1132 Y N 0.714 120.857 120.300 -0.261 0.000 2.384 1132 Y HA -0.135 4.414 4.550 -0.000 0.000 0.289 1132 Y C 2.324 177.972 175.900 -0.421 0.000 1.152 1132 Y CA 1.448 59.254 58.100 -0.490 0.000 1.258 1132 Y CB -0.266 38.085 38.460 -0.181 0.000 0.979 1132 Y HN 0.262 nan 8.280 nan 0.000 0.549 1133 S N 0.050 115.573 115.700 -0.295 0.000 2.561 1133 S HA -0.087 4.383 4.470 -0.000 0.000 0.225 1133 S C 1.596 176.016 174.600 -0.299 0.000 0.977 1133 S CA 0.687 58.715 58.200 -0.285 0.000 0.926 1133 S CB -0.221 62.902 63.200 -0.128 0.000 0.769 1133 S HN 0.615 nan 8.310 nan 0.000 0.533 1134 E N 1.323 121.323 120.200 -0.334 0.000 2.058 1134 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 1134 E C 1.705 178.142 176.600 -0.271 0.000 0.997 1134 E CA 1.097 57.355 56.400 -0.236 0.000 0.801 1134 E CB -0.312 29.296 29.700 -0.154 0.000 0.746 1134 E HN 0.446 nan 8.360 nan 0.000 0.450 1135 L N 0.657 121.593 121.223 -0.478 0.000 2.357 1135 L HA -0.218 4.122 4.340 -0.000 0.000 0.220 1135 L C 2.127 178.835 176.870 -0.270 0.000 1.123 1135 L CA 0.794 55.401 54.840 -0.389 0.000 0.782 1135 L CB -0.327 41.357 42.059 -0.624 0.000 0.910 1135 L HN 0.218 nan 8.230 nan 0.000 0.442 1136 L N -1.610 119.449 121.223 -0.273 0.000 2.590 1136 L HA 0.058 4.397 4.340 -0.000 0.000 0.227 1136 L C 1.759 178.564 176.870 -0.108 0.000 1.099 1136 L CA 0.202 54.944 54.840 -0.163 0.000 0.872 1136 L CB 0.408 42.374 42.059 -0.155 0.000 1.088 1136 L HN 0.251 nan 8.230 nan 0.000 0.479 1137 L N -1.847 119.315 121.223 -0.102 0.000 2.902 1137 L HA 0.058 4.398 4.340 -0.000 0.000 0.254 1137 L C 2.424 179.278 176.870 -0.027 0.000 1.115 1137 L CA 0.425 55.233 54.840 -0.053 0.000 0.947 1137 L CB 0.425 42.458 42.059 -0.043 0.000 1.369 1137 L HN 0.128 nan 8.230 nan 0.000 0.538 1138 S N -0.195 115.485 115.700 -0.033 0.000 2.419 1138 S HA -0.169 4.301 4.470 -0.000 0.000 0.233 1138 S C 1.114 175.717 174.600 0.006 0.000 1.016 1138 S CA 1.051 59.248 58.200 -0.004 0.000 0.974 1138 S CB -0.279 62.925 63.200 0.006 0.000 0.786 1138 S HN 0.462 nan 8.310 nan 0.000 0.492 1139 E N 0.310 120.506 120.200 -0.007 0.000 2.349 1139 E HA 0.280 4.629 4.350 -0.000 0.000 0.201 1139 E C 0.736 177.315 176.600 -0.034 0.000 1.087 1139 E CA -0.286 56.105 56.400 -0.014 0.000 1.128 1139 E CB 0.315 30.008 29.700 -0.012 0.000 1.188 1139 E HN 0.312 nan 8.360 nan 0.000 0.445 1140 L N 0.039 121.262 121.223 0.001 0.000 2.145 1140 L HA 0.164 4.504 4.340 -0.000 0.000 0.201 1140 L C 2.142 179.061 176.870 0.082 0.000 1.075 1140 L CA 1.667 56.543 54.840 0.061 0.000 0.773 1140 L CB -0.671 41.459 42.059 0.118 0.000 0.936 1140 L HN 0.240 nan 8.230 nan 0.000 0.451 1141 G N -0.915 107.894 108.800 0.016 0.000 2.479 1141 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 1141 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 1141 G C 0.908 175.613 174.900 -0.325 0.000 1.115 1141 G CA 0.425 45.486 45.100 -0.066 0.000 0.757 1141 G HN 0.584 nan 8.290 nan 0.000 0.560 1142 Q N 0.445 119.967 119.800 -0.464 0.000 2.620 1142 Q HA 0.397 4.737 4.340 -0.000 0.000 0.333 1142 Q C 0.924 176.382 176.000 -0.902 0.000 1.017 1142 Q CA -0.106 55.007 55.803 -1.150 0.000 0.962 1142 Q CB 0.103 28.416 28.738 -0.709 0.000 1.297 1142 Q HN 0.267 nan 8.270 nan 0.000 0.419 1143 G N 1.695 110.184 108.800 -0.519 0.000 2.247 1143 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.265 1143 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.265 1143 G C 0.469 175.322 174.900 -0.079 0.000 0.861 1143 G CA 0.871 45.867 45.100 -0.174 0.000 1.289 1143 G HN 0.528 nan 8.290 nan 0.000 0.403 1144 T N -2.797 111.741 114.554 -0.027 0.000 3.043 1144 T HA 0.554 4.903 4.350 -0.000 0.000 0.272 1144 T C 0.592 175.277 174.700 -0.025 0.000 0.990 1144 T CA 0.530 62.608 62.100 -0.037 0.000 0.897 1144 T CB 0.897 69.727 68.868 -0.063 0.000 1.111 1144 T HN 0.671 nan 8.240 nan 0.000 0.529 1145 S N 1.619 117.347 115.700 0.048 0.000 2.541 1145 S HA 0.518 4.988 4.470 -0.000 0.000 0.280 1145 S C -0.865 173.776 174.600 0.069 0.000 1.112 1145 S CA -0.978 57.194 58.200 -0.046 0.000 0.925 1145 S CB 2.097 65.142 63.200 -0.257 0.000 1.067 1145 S HN 0.145 nan 8.310 nan 0.000 0.479 1146 E N 0.749 120.923 120.200 -0.043 0.000 2.436 1146 E HA 0.151 4.501 4.350 -0.000 0.000 0.262 1146 E C -1.109 175.469 176.600 -0.036 0.000 1.063 1146 E CA 0.472 56.888 56.400 0.025 0.000 0.944 1146 E CB 0.318 29.983 29.700 -0.058 0.000 0.950 1146 E HN 0.578 nan 8.360 nan 0.000 0.444 1147 W N 0.375 121.619 121.300 -0.094 0.000 3.032 1147 W HA 0.270 4.930 4.660 -0.000 0.000 0.335 1147 W C 0.147 176.625 176.519 -0.069 0.000 1.154 1147 W CA -0.582 56.701 57.345 -0.104 0.000 1.204 1147 W CB 1.055 30.458 29.460 -0.096 0.000 1.416 1147 W HN 0.388 nan 8.180 nan 0.000 0.521 1148 Q N 1.205 121.084 119.800 0.133 0.000 0.000 1148 Q HA 0.916 5.256 4.340 -0.000 0.000 0.000 1148 Q C -0.955 175.108 176.000 0.106 0.000 0.000 1148 Q CA -0.754 55.103 55.803 0.089 0.000 0.000 1148 Q CB 2.823 31.584 28.738 0.039 0.000 0.000 1148 Q HN 0.532 nan 8.270 nan 0.000 0.000 1149 D N 0.472 nan 120.400 nan 0.000 0.000 1149 D HA 0.146 4.786 4.640 -0.000 0.000 0.000 1149 D C -1.005 175.340 176.300 0.075 0.000 0.000 1149 D CA -0.513 53.526 54.000 0.065 0.000 0.000 1149 D CB 0.088 40.910 40.800 0.037 0.000 0.000 1149 D HN 0.535 nan 8.370 nan 0.000 0.000 1150 N N -0.776 117.954 118.700 0.050 0.000 2.322 1150 N HA 0.204 4.943 4.740 -0.000 0.000 0.270 1150 N C 1.183 176.664 175.510 -0.048 0.000 1.286 1150 N CA 0.014 53.077 53.050 0.022 0.000 0.948 1150 N CB -0.141 38.295 38.487 -0.085 0.000 1.164 1150 N HN 0.573 nan 8.380 nan 0.000 0.551 1151 F N -2.235 117.769 119.950 0.089 0.000 2.583 1151 F HA 0.097 4.623 4.527 -0.000 0.000 0.297 1151 F C 0.053 175.880 175.800 0.044 0.000 1.131 1151 F CA 0.433 58.471 58.000 0.062 0.000 1.467 1151 F CB -0.476 38.546 39.000 0.038 0.000 1.097 1151 F HN 0.481 nan 8.300 nan 0.000 0.586 1152 D N -1.713 118.571 120.400 -0.194 0.000 2.692 1152 D HA 0.240 4.880 4.640 -0.000 0.000 0.290 1152 D C 1.433 177.668 176.300 -0.108 0.000 1.455 1152 D CA -0.091 53.870 54.000 -0.064 0.000 0.796 1152 D CB 0.105 40.891 40.800 -0.023 0.000 1.131 1152 D HN 0.240 nan 8.370 nan 0.000 0.467 1153 G N 0.783 109.527 108.800 -0.094 0.000 2.216 1153 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.269 1153 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.269 1153 G C 1.284 176.141 174.900 -0.071 0.000 0.981 1153 G CA 1.139 46.202 45.100 -0.062 0.000 0.658 1153 G HN 0.912 nan 8.290 nan 0.000 0.539 1154 S N -0.987 114.645 115.700 -0.113 0.000 2.558 1154 S HA 0.604 5.074 4.470 -0.000 0.000 0.217 1154 S C 0.888 175.444 174.600 -0.073 0.000 0.975 1154 S CA 0.741 58.883 58.200 -0.095 0.000 0.912 1154 S CB 0.155 63.285 63.200 -0.117 0.000 0.776 1154 S HN 0.678 nan 8.310 nan 0.000 0.526 1155 L N -0.653 120.534 121.223 -0.061 0.000 2.389 1155 L HA 0.788 5.127 4.340 -0.000 0.000 0.249 1155 L C -0.378 176.557 176.870 0.108 0.000 1.083 1155 L CA -0.990 53.870 54.840 0.034 0.000 0.876 1155 L CB 1.700 43.785 42.059 0.044 0.000 1.489 1155 L HN 0.032 nan 8.230 nan 0.000 0.412 1156 K N 0.696 121.233 120.400 0.228 0.000 2.371 1156 K HA 0.735 5.055 4.320 -0.000 0.000 0.251 1156 K C -1.001 175.871 176.600 0.453 0.000 0.934 1156 K CA -0.731 55.731 56.287 0.291 0.000 0.798 1156 K CB 1.921 34.571 32.500 0.250 0.000 1.204 1156 K HN 0.727 nan 8.250 nan 0.000 0.427 1157 E N 1.449 121.808 120.200 0.265 0.000 2.256 1157 E HA 0.664 5.013 4.350 -0.000 0.000 0.267 1157 E C -2.787 173.532 176.600 -0.469 0.000 0.892 1157 E CA -2.297 54.007 56.400 -0.161 0.000 0.775 1157 E CB 2.375 31.962 29.700 -0.188 0.000 1.207 1157 E HN 0.301 nan 8.360 nan 0.000 0.420 1158 P HA 0.173 nan 4.420 nan 0.000 0.280 1158 P C 0.231 177.066 177.300 -0.776 0.000 1.244 1158 P CA -0.278 61.931 63.100 -1.485 0.000 0.784 1158 P CB 0.938 31.507 31.700 -1.884 0.000 0.913 1159 I N 0.441 120.673 120.570 -0.564 0.000 2.353 1159 I HA -0.061 4.109 4.170 -0.000 0.000 0.248 1159 I C 1.360 177.254 176.117 -0.371 0.000 1.119 1159 I CA 1.469 62.557 61.300 -0.352 0.000 1.417 1159 I CB -0.247 37.606 38.000 -0.245 0.000 1.078 1159 I HN 0.469 nan 8.210 nan 0.000 0.421 1160 T N -1.640 112.659 114.554 -0.426 0.000 2.812 1160 T HA 0.630 4.980 4.350 -0.000 0.000 0.294 1160 T C -0.731 173.752 174.700 -0.362 0.000 1.159 1160 T CA -0.813 61.063 62.100 -0.373 0.000 1.008 1160 T CB 1.904 70.534 68.868 -0.397 0.000 1.289 1160 T HN -0.072 nan 8.240 nan 0.000 0.514 1161 L N 0.622 121.694 121.223 -0.252 0.000 2.322 1161 L HA 0.586 4.926 4.340 -0.000 0.000 0.269 1161 L C -2.388 174.400 176.870 -0.136 0.000 1.012 1161 L CA -2.839 51.878 54.840 -0.206 0.000 0.815 1161 L CB 2.125 44.092 42.059 -0.154 0.000 1.295 1161 L HN 0.506 nan 8.230 nan 0.000 0.438 1162 P HA 0.168 nan 4.420 nan 0.000 0.238 1162 P C -0.528 176.752 177.300 -0.034 0.000 1.794 1162 P CA -0.307 62.746 63.100 -0.079 0.000 1.088 1162 P CB 0.374 32.031 31.700 -0.071 0.000 1.923 1163 A N 3.205 126.037 122.820 0.022 0.000 2.511 1163 A HA 0.050 4.370 4.320 -0.000 0.000 0.242 1163 A C 1.314 178.993 177.584 0.157 0.000 1.069 1163 A CA -0.039 52.056 52.037 0.097 0.000 0.763 1163 A CB 0.156 19.301 19.000 0.241 0.000 1.001 1163 A HN 0.351 nan 8.150 nan 0.000 0.498 1164 R N 0.905 121.464 120.500 0.099 0.000 2.297 1164 R HA 0.148 4.488 4.340 -0.000 0.000 0.197 1164 R C 0.053 176.513 176.300 0.266 0.000 0.943 1164 R CA 0.953 57.136 56.100 0.139 0.000 1.038 1164 R CB -0.428 29.906 30.300 0.057 0.000 0.957 1164 R HN 0.745 nan 8.270 nan 0.000 0.484 1165 V N -3.122 116.937 119.914 0.242 0.000 3.188 1165 V HA 0.441 4.560 4.120 -0.000 0.000 0.305 1165 V C -2.902 173.020 176.094 -0.287 0.000 1.232 1165 V CA -2.677 59.606 62.300 -0.028 0.000 1.043 1165 V CB 2.610 34.359 31.823 -0.123 0.000 1.068 1165 V HN -0.186 nan 8.190 nan 0.000 0.439 1166 P HA 0.301 nan 4.420 nan 0.000 0.232 1166 P C 0.404 177.418 177.300 -0.476 0.000 1.814 1166 P CA 0.056 62.414 63.100 -1.237 0.000 1.085 1166 P CB -0.071 30.589 31.700 -1.732 0.000 1.901 1167 N N 1.498 120.082 118.700 -0.194 0.000 2.094 1167 N HA -0.205 4.534 4.740 -0.000 0.000 0.191 1167 N C 1.524 177.014 175.510 -0.033 0.000 1.023 1167 N CA 0.733 53.766 53.050 -0.029 0.000 0.857 1167 N CB -0.157 38.365 38.487 0.058 0.000 1.013 1167 N HN 0.143 nan 8.380 nan 0.000 0.426 1168 I N 1.170 121.709 120.570 -0.052 0.000 2.479 1168 I HA -0.242 3.927 4.170 -0.000 0.000 0.258 1168 I C 1.713 177.798 176.117 -0.054 0.000 1.165 1168 I CA 1.224 62.505 61.300 -0.032 0.000 1.422 1168 I CB 0.054 38.040 38.000 -0.025 0.000 1.087 1168 I HN 0.252 nan 8.210 nan 0.000 0.441 1169 L N -1.704 119.453 121.223 -0.110 0.000 2.425 1169 L HA 0.055 4.395 4.340 -0.000 0.000 0.215 1169 L C 2.117 179.007 176.870 0.033 0.000 1.065 1169 L CA 0.251 55.038 54.840 -0.088 0.000 0.842 1169 L CB -0.132 41.763 42.059 -0.273 0.000 1.033 1169 L HN 0.181 nan 8.230 nan 0.000 0.474 1170 L N -0.493 120.720 121.223 -0.016 0.000 2.068 1170 L HA -0.063 4.277 4.340 -0.000 0.000 0.204 1170 L C 2.131 179.045 176.870 0.074 0.000 1.076 1170 L CA 0.970 55.844 54.840 0.056 0.000 0.753 1170 L CB -0.477 41.562 42.059 -0.033 0.000 0.910 1170 L HN 0.229 nan 8.230 nan 0.000 0.439 1171 N N -0.235 118.483 118.700 0.030 0.000 2.336 1171 N HA 0.060 4.800 4.740 -0.000 0.000 0.177 1171 N C 0.905 176.294 175.510 -0.203 0.000 1.018 1171 N CA 1.031 54.027 53.050 -0.089 0.000 0.878 1171 N CB 0.052 38.551 38.487 0.020 0.000 0.997 1171 N HN 0.305 nan 8.380 nan 0.000 0.433 1172 G N -0.191 108.556 108.800 -0.089 0.000 2.901 1172 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.654 1172 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.654 1172 G C -0.291 174.552 174.900 -0.095 0.000 1.550 1172 G CA 0.299 45.358 45.100 -0.068 0.000 0.978 1172 G HN 0.447 nan 8.290 nan 0.000 0.566 1173 T N -1.352 113.182 114.554 -0.033 0.000 2.865 1173 T HA 0.835 5.185 4.350 -0.000 0.000 0.294 1173 T C -0.480 174.231 174.700 0.017 0.000 1.119 1173 T CA 0.490 62.585 62.100 -0.010 0.000 1.007 1173 T CB 2.057 70.932 68.868 0.012 0.000 1.225 1173 T HN 1.400 nan 8.240 nan 0.000 0.515 1174 T N 1.728 116.300 114.554 0.030 0.000 3.422 1174 T HA 0.595 4.945 4.350 -0.000 0.000 0.327 1174 T C -0.370 174.353 174.700 0.037 0.000 0.840 1174 T CA -0.516 61.609 62.100 0.041 0.000 1.126 1174 T CB 0.390 69.293 68.868 0.058 0.000 1.008 1174 T HN 0.987 nan 8.240 nan 0.000 0.485 1175 G N 1.571 110.387 108.800 0.027 0.000 2.680 1175 G HA2 0.818 4.777 3.960 -0.000 0.000 0.290 1175 G HA3 0.818 4.777 3.960 -0.000 0.000 0.290 1175 G C -1.404 173.503 174.900 0.011 0.000 1.355 1175 G CA -0.744 44.368 45.100 0.019 0.000 0.903 1175 G HN 0.603 nan 8.290 nan 0.000 0.474 1176 I N 1.101 121.676 120.570 0.008 0.000 2.406 1176 I HA 0.551 4.721 4.170 -0.000 0.000 0.290 1176 I C 0.822 176.926 176.117 -0.022 0.000 0.999 1176 I CA -0.608 60.695 61.300 0.005 0.000 1.124 1176 I CB 1.905 39.919 38.000 0.024 0.000 1.289 1176 I HN 0.667 nan 8.210 nan 0.000 0.441 1177 A N 5.772 128.570 122.820 -0.036 0.000 3.259 1177 A HA 0.823 5.143 4.320 -0.000 0.000 0.203 1177 A C -0.110 177.425 177.584 -0.081 0.000 2.011 1177 A CA -0.108 51.876 52.037 -0.087 0.000 1.833 1177 A CB 0.614 19.554 19.000 -0.100 0.000 1.287 1177 A HN 0.386 nan 8.150 nan 0.000 0.371 1178 V N -1.596 118.278 119.914 -0.066 0.000 2.789 1178 V HA 0.549 4.669 4.120 -0.000 0.000 0.300 1178 V C 0.767 176.888 176.094 0.045 0.000 1.184 1178 V CA 0.154 62.451 62.300 -0.005 0.000 0.930 1178 V CB 0.862 32.634 31.823 -0.085 0.000 1.041 1178 V HN 2.009 nan 8.190 nan 0.000 0.430 1179 G N 4.271 113.134 108.800 0.105 0.000 2.328 1179 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.256 1179 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.256 1179 G C 0.050 174.988 174.900 0.064 0.000 1.014 1179 G CA 1.177 46.343 45.100 0.110 0.000 0.620 1179 G HN 1.418 nan 8.290 nan 0.000 0.530 1180 M N -2.154 117.467 119.600 0.035 0.000 2.773 1180 M HA 0.802 5.281 4.480 -0.000 0.000 0.270 1180 M C -0.684 175.621 176.300 0.008 0.000 1.238 1180 M CA -0.373 54.940 55.300 0.020 0.000 0.832 1180 M CB 1.507 34.111 32.600 0.007 0.000 1.672 1180 M HN 1.491 nan 8.290 nan 0.000 0.480 1181 A N 0.396 123.222 122.820 0.010 0.000 2.566 1181 A HA 0.987 5.306 4.320 -0.000 0.000 0.291 1181 A C -1.049 176.539 177.584 0.007 0.000 1.278 1181 A CA -0.232 51.809 52.037 0.006 0.000 0.711 1181 A CB 1.633 20.644 19.000 0.017 0.000 1.332 1181 A HN 1.084 nan 8.150 nan 0.000 0.478 1182 T N -0.015 114.546 114.554 0.012 0.000 3.105 1182 T HA 0.555 4.905 4.350 -0.000 0.000 0.321 1182 T C -2.311 172.407 174.700 0.030 0.000 1.135 1182 T CA -0.552 61.558 62.100 0.017 0.000 1.053 1182 T CB 1.263 70.134 68.868 0.005 0.000 1.133 1182 T HN 0.526 nan 8.240 nan 0.000 0.463 1183 D N 4.073 124.498 120.400 0.042 0.000 2.649 1183 D HA 0.484 5.124 4.640 -0.000 0.000 0.249 1183 D C -0.591 175.747 176.300 0.064 0.000 1.112 1183 D CA -0.383 53.652 54.000 0.059 0.000 0.850 1183 D CB 1.990 42.836 40.800 0.077 0.000 1.399 1183 D HN 0.555 nan 8.370 nan 0.000 0.503 1184 I N 2.718 123.322 120.570 0.057 0.000 2.497 1184 I HA 0.196 4.366 4.170 -0.000 0.000 0.284 1184 I C -2.641 173.500 176.117 0.041 0.000 1.060 1184 I CA -2.024 59.310 61.300 0.057 0.000 1.071 1184 I CB 2.479 40.499 38.000 0.033 0.000 1.216 1184 I HN -0.123 nan 8.210 nan 0.000 0.442 1185 P HA 0.179 nan 4.420 nan 0.000 0.271 1185 P C -2.447 174.747 177.300 -0.178 0.000 1.220 1185 P CA -1.106 61.942 63.100 -0.087 0.000 0.768 1185 P CB -0.065 31.536 31.700 -0.165 0.000 0.848 1186 P HA 0.016 nan 4.420 nan 0.000 0.265 1186 P C -0.670 176.420 177.300 -0.351 0.000 1.187 1186 P CA 0.805 63.756 63.100 -0.247 0.000 0.766 1186 P CB 0.238 31.710 31.700 -0.379 0.000 0.820 1187 H N -0.271 118.734 119.070 -0.109 0.000 2.834 1187 H HA 0.316 4.871 4.556 -0.000 0.000 0.369 1187 H C 0.347 175.682 175.328 0.011 0.000 1.174 1187 H CA -0.824 55.173 56.048 -0.084 0.000 1.165 1187 H CB 0.980 30.686 29.762 -0.094 0.000 1.820 1187 H HN 0.325 nan 8.280 nan 0.000 0.558 1188 N N 1.795 120.572 118.700 0.128 0.000 2.497 1188 N HA -0.061 4.678 4.740 -0.000 0.000 0.268 1188 N C 0.947 176.516 175.510 0.098 0.000 1.171 1188 N CA -0.027 53.103 53.050 0.134 0.000 0.948 1188 N CB 0.859 39.385 38.487 0.064 0.000 1.069 1188 N HN 0.533 nan 8.380 nan 0.000 0.460 1189 L N 6.092 127.372 121.223 0.094 0.000 1.989 1189 L HA -0.160 4.180 4.340 -0.000 0.000 0.211 1189 L C 2.469 179.310 176.870 -0.048 0.000 1.071 1189 L CA 1.653 56.433 54.840 -0.100 0.000 0.749 1189 L CB -0.207 41.701 42.059 -0.252 0.000 0.890 1189 L HN 0.602 nan 8.230 nan 0.000 0.431 1190 R N -0.507 119.993 120.500 -0.000 0.000 2.081 1190 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 1190 R C 2.160 178.442 176.300 -0.030 0.000 1.131 1190 R CA 1.782 57.874 56.100 -0.014 0.000 0.960 1190 R CB -0.569 29.735 30.300 0.006 0.000 0.856 1190 R HN 0.547 nan 8.270 nan 0.000 0.436 1191 E N 0.363 120.560 120.200 -0.004 0.000 2.058 1191 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 1191 E C 2.068 178.647 176.600 -0.035 0.000 0.997 1191 E CA 1.416 57.817 56.400 0.002 0.000 0.801 1191 E CB -0.043 29.680 29.700 0.039 0.000 0.746 1191 E HN 0.075 nan 8.360 nan 0.000 0.450 1192 V N 0.818 120.699 119.914 -0.055 0.000 2.515 1192 V HA -0.196 3.923 4.120 -0.000 0.000 0.250 1192 V C 2.244 178.255 176.094 -0.138 0.000 1.058 1192 V CA 1.061 63.292 62.300 -0.115 0.000 1.064 1192 V CB -0.098 31.627 31.823 -0.163 0.000 0.675 1192 V HN 0.134 nan 8.190 nan 0.000 0.461 1193 V N 0.406 120.247 119.914 -0.121 0.000 2.295 1193 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 1193 V C 2.922 178.936 176.094 -0.133 0.000 1.049 1193 V CA 2.538 64.772 62.300 -0.111 0.000 1.024 1193 V CB -1.243 30.534 31.823 -0.077 0.000 0.648 1193 V HN 0.663 nan 8.190 nan 0.000 0.447 1194 K N 0.645 120.937 120.400 -0.180 0.000 2.020 1194 K HA -0.210 4.109 4.320 -0.000 0.000 0.212 1194 K C 2.330 178.696 176.600 -0.390 0.000 1.050 1194 K CA 2.151 58.237 56.287 -0.336 0.000 0.929 1194 K CB -1.924 30.304 32.500 -0.453 0.000 0.714 1194 K HN 0.595 nan 8.250 nan 0.000 0.443 1195 G N 1.133 109.778 108.800 -0.259 0.000 2.599 1195 G HA2 -0.379 3.580 3.960 -0.000 0.000 0.219 1195 G HA3 -0.379 3.580 3.960 -0.000 0.000 0.219 1195 G C 2.090 176.955 174.900 -0.059 0.000 1.193 1195 G CA 3.039 48.086 45.100 -0.090 0.000 0.778 1195 G HN 0.708 nan 8.290 nan 0.000 0.589 1196 T N 0.154 114.672 114.554 -0.060 0.000 2.788 1196 T HA 0.002 4.351 4.350 -0.000 0.000 0.268 1196 T C 2.408 177.114 174.700 0.011 0.000 1.044 1196 T CA 1.163 63.268 62.100 0.008 0.000 1.139 1196 T CB -0.252 68.642 68.868 0.042 0.000 0.867 1196 T HN 0.285 nan 8.240 nan 0.000 0.454 1197 I N 2.018 122.563 120.570 -0.042 0.000 2.163 1197 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 1197 I C 3.182 179.274 176.117 -0.042 0.000 1.085 1197 I CA 1.337 62.610 61.300 -0.045 0.000 1.347 1197 I CB -0.670 37.277 38.000 -0.088 0.000 1.044 1197 I HN 0.317 nan 8.210 nan 0.000 0.408 1198 A N 0.687 123.458 122.820 -0.081 0.000 1.865 1198 A HA -0.226 4.093 4.320 -0.000 0.000 0.217 1198 A C 2.154 179.764 177.584 0.043 0.000 1.191 1198 A CA 1.671 53.709 52.037 0.003 0.000 0.623 1198 A CB -0.972 18.081 19.000 0.088 0.000 0.826 1198 A HN 0.312 nan 8.150 nan 0.000 0.444 1199 L N -0.510 120.741 121.223 0.046 0.000 2.127 1199 L HA -0.167 4.172 4.340 -0.000 0.000 0.211 1199 L C 2.334 179.230 176.870 0.044 0.000 1.089 1199 L CA 1.436 56.308 54.840 0.053 0.000 0.757 1199 L CB -0.603 41.491 42.059 0.057 0.000 0.899 1199 L HN 0.422 nan 8.230 nan 0.000 0.434 1200 I N -1.204 119.390 120.570 0.040 0.000 2.163 1200 I HA -0.304 3.866 4.170 -0.000 0.000 0.240 1200 I C 2.576 178.706 176.117 0.022 0.000 1.081 1200 I CA 1.126 62.446 61.300 0.032 0.000 1.353 1200 I CB -0.225 37.793 38.000 0.031 0.000 1.054 1200 I HN 0.205 nan 8.210 nan 0.000 0.407 1201 R N 0.419 120.931 120.500 0.021 0.000 2.088 1201 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 1201 R C 0.953 177.266 176.300 0.022 0.000 1.136 1201 R CA 1.366 57.477 56.100 0.019 0.000 0.926 1201 R CB -0.696 29.615 30.300 0.019 0.000 0.837 1201 R HN 0.276 nan 8.270 nan 0.000 0.429 1202 N N 0.700 119.419 118.700 0.031 0.000 2.626 1202 N HA 0.151 4.890 4.740 -0.000 0.000 0.249 1202 N C -2.453 173.077 175.510 0.033 0.000 1.021 1202 N CA -2.421 50.647 53.050 0.031 0.000 0.886 1202 N CB 1.759 40.267 38.487 0.035 0.000 1.149 1202 N HN -0.209 nan 8.380 nan 0.000 0.517 1203 P HA 0.034 nan 4.420 nan 0.000 0.239 1203 P C 0.280 177.594 177.300 0.023 0.000 1.184 1203 P CA 0.812 63.927 63.100 0.026 0.000 0.760 1203 P CB 0.365 32.077 31.700 0.019 0.000 0.884 1204 Q N -1.803 118.010 119.800 0.021 0.000 2.220 1204 Q HA 0.123 4.462 4.340 -0.000 0.000 0.205 1204 Q C 0.193 176.204 176.000 0.018 0.000 0.865 1204 Q CA 0.262 56.075 55.803 0.016 0.000 0.960 1204 Q CB -0.598 28.147 28.738 0.012 0.000 1.097 1204 Q HN 0.114 nan 8.270 nan 0.000 0.493 1205 T N 2.942 117.512 114.554 0.027 0.000 2.792 1205 T HA 0.039 4.389 4.350 -0.000 0.000 0.286 1205 T C 0.627 175.336 174.700 0.015 0.000 0.970 1205 T CA 0.220 62.337 62.100 0.028 0.000 1.187 1205 T CB 0.201 69.103 68.868 0.057 0.000 0.915 1205 T HN 0.380 nan 8.240 nan 0.000 0.529 1206 S N 3.300 119.001 115.700 0.001 0.000 2.559 1206 S HA -0.024 4.446 4.470 -0.000 0.000 0.282 1206 S C 0.883 175.476 174.600 -0.012 0.000 1.336 1206 S CA -0.517 57.678 58.200 -0.008 0.000 1.037 1206 S CB 0.590 63.780 63.200 -0.017 0.000 0.853 1206 S HN 0.589 nan 8.310 nan 0.000 0.523 1207 D N 1.565 121.959 120.400 -0.011 0.000 2.178 1207 D HA -0.022 4.618 4.640 -0.000 0.000 0.202 1207 D C 1.803 178.086 176.300 -0.029 0.000 0.974 1207 D CA 1.278 55.269 54.000 -0.014 0.000 0.841 1207 D CB -0.354 40.440 40.800 -0.009 0.000 0.953 1207 D HN 0.735 nan 8.370 nan 0.000 0.478 1208 E N 0.394 120.574 120.200 -0.033 0.000 2.118 1208 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 1208 E C 1.815 178.368 176.600 -0.077 0.000 0.992 1208 E CA 1.065 57.438 56.400 -0.046 0.000 0.804 1208 E CB -0.031 29.646 29.700 -0.038 0.000 0.741 1208 E HN 0.047 nan 8.360 nan 0.000 0.458 1209 K N 0.634 120.982 120.400 -0.087 0.000 2.007 1209 K HA -0.022 4.298 4.320 -0.000 0.000 0.206 1209 K C 1.993 178.465 176.600 -0.214 0.000 1.047 1209 K CA 0.948 57.142 56.287 -0.156 0.000 0.937 1209 K CB -0.659 31.770 32.500 -0.117 0.000 0.718 1209 K HN 0.198 nan 8.250 nan 0.000 0.438 1210 L N 0.350 121.520 121.223 -0.089 0.000 2.043 1210 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 1210 L C 2.102 178.958 176.870 -0.023 0.000 1.075 1210 L CA 1.939 56.777 54.840 -0.003 0.000 0.752 1210 L CB -0.558 41.520 42.059 0.031 0.000 0.891 1210 L HN 0.307 nan 8.230 nan 0.000 0.432 1211 A N -0.462 122.327 122.820 -0.052 0.000 2.070 1211 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 1211 A C 2.230 179.777 177.584 -0.063 0.000 1.159 1211 A CA 1.740 53.753 52.037 -0.040 0.000 0.656 1211 A CB -0.926 18.051 19.000 -0.039 0.000 0.800 1211 A HN 0.597 nan 8.150 nan 0.000 0.453 1212 E N -1.572 118.534 120.200 -0.158 0.000 2.418 1212 E HA -0.058 4.292 4.350 -0.000 0.000 0.197 1212 E C 1.555 178.068 176.600 -0.146 0.000 1.026 1212 E CA 0.975 57.253 56.400 -0.203 0.000 0.862 1212 E CB -0.828 28.675 29.700 -0.329 0.000 0.799 1212 E HN 0.918 nan 8.360 nan 0.000 0.518 1213 Y N -1.277 119.013 120.300 -0.017 0.000 2.422 1213 Y HA 0.362 4.912 4.550 -0.001 0.000 0.291 1213 Y C 1.052 176.941 175.900 -0.018 0.000 1.144 1213 Y CA -0.160 57.930 58.100 -0.018 0.000 1.208 1213 Y CB 1.052 39.499 38.460 -0.021 0.000 1.195 1213 Y HN 0.070 nan 8.280 nan 0.000 0.535 1214 I N 1.024 121.680 120.570 0.143 0.000 2.778 1214 I HA 0.213 4.383 4.170 -0.000 0.000 0.285 1214 I C -2.236 173.915 176.117 0.057 0.000 1.236 1214 I CA -1.671 59.678 61.300 0.081 0.000 1.089 1214 I CB 0.983 39.000 38.000 0.029 0.000 1.601 1214 I HN -0.052 nan 8.210 nan 0.000 0.573 1215 P HA -0.145 nan 4.420 nan 0.000 0.213 1215 P C 0.397 177.686 177.300 -0.018 0.000 1.170 1215 P CA 1.232 64.332 63.100 -0.001 0.000 0.902 1215 P CB 0.347 32.039 31.700 -0.012 0.000 0.789 1216 A N -3.376 119.420 122.820 -0.040 0.000 2.593 1216 A HA 0.631 4.951 4.320 -0.000 0.000 0.290 1216 A C -2.874 174.552 177.584 -0.264 0.000 1.126 1216 A CA -1.734 50.213 52.037 -0.149 0.000 0.695 1216 A CB 0.246 19.126 19.000 -0.201 0.000 1.290 1216 A HN -0.195 nan 8.150 nan 0.000 0.414 1217 P HA 0.192 nan 4.420 nan 0.000 0.269 1217 P C -1.091 175.898 177.300 -0.519 0.000 1.211 1217 P CA 0.447 62.992 63.100 -0.925 0.000 0.781 1217 P CB 0.390 31.539 31.700 -0.918 0.000 0.877 1218 D N 1.783 121.921 120.400 -0.438 0.000 2.481 1218 D HA 0.293 4.933 4.640 -0.000 0.000 0.246 1218 D C -1.064 175.034 176.300 -0.337 0.000 1.109 1218 D CA -0.301 53.532 54.000 -0.277 0.000 0.845 1218 D CB 0.369 41.078 40.800 -0.152 0.000 1.160 1218 D HN -0.034 nan 8.370 nan 0.000 0.534 1219 L N 4.844 125.866 121.223 -0.334 0.000 2.375 1219 L HA 0.437 4.777 4.340 -0.000 0.000 0.268 1219 L C -1.360 175.349 176.870 -0.268 0.000 1.058 1219 L CA -2.261 52.317 54.840 -0.436 0.000 0.803 1219 L CB 0.901 42.696 42.059 -0.440 0.000 1.212 1219 L HN 0.299 nan 8.230 nan 0.000 0.451 1220 P HA -0.050 nan 4.420 nan 0.000 0.236 1220 P C 0.425 177.725 177.300 0.001 0.000 1.172 1220 P CA 0.881 63.928 63.100 -0.088 0.000 0.759 1220 P CB 0.223 31.951 31.700 0.045 0.000 0.843 1221 T N -1.753 112.808 114.554 0.012 0.000 2.910 1221 T HA 0.366 4.715 4.350 -0.000 0.000 0.287 1221 T C 0.585 175.296 174.700 0.018 0.000 1.050 1221 T CA -0.710 61.417 62.100 0.045 0.000 1.011 1221 T CB 1.299 70.225 68.868 0.097 0.000 1.195 1221 T HN -0.274 nan 8.240 nan 0.000 0.540 1222 K N 0.622 121.042 120.400 0.033 0.000 2.374 1222 K HA 0.470 4.790 4.320 -0.000 0.000 0.196 1222 K C 0.800 177.422 176.600 0.037 0.000 1.023 1222 K CA -0.257 56.044 56.287 0.023 0.000 1.103 1222 K CB 0.332 32.845 32.500 0.023 0.000 0.848 1222 K HN 0.637 nan 8.250 nan 0.000 0.528 1223 A N 1.838 124.694 122.820 0.060 0.000 2.492 1223 A HA 0.004 4.324 4.320 -0.000 0.000 0.236 1223 A C -0.271 177.348 177.584 0.058 0.000 1.078 1223 A CA 0.099 52.183 52.037 0.078 0.000 0.773 1223 A CB 0.147 19.214 19.000 0.112 0.000 1.023 1223 A HN 0.237 nan 8.150 nan 0.000 0.504 1224 E N -0.006 120.227 120.200 0.055 0.000 2.283 1224 E HA 0.373 4.723 4.350 -0.000 0.000 0.278 1224 E C -0.988 175.642 176.600 0.049 0.000 1.027 1224 E CA -0.128 56.291 56.400 0.032 0.000 0.843 1224 E CB 1.116 30.823 29.700 0.012 0.000 1.062 1224 E HN 0.497 nan 8.360 nan 0.000 0.401 1225 I N 4.335 124.928 120.570 0.038 0.000 2.308 1225 I HA 0.072 4.242 4.170 -0.000 0.000 0.293 1225 I C 0.766 176.909 176.117 0.043 0.000 1.078 1225 I CA 0.140 61.482 61.300 0.069 0.000 1.292 1225 I CB 0.038 38.037 38.000 -0.001 0.000 1.423 1225 I HN 0.518 nan 8.210 nan 0.000 0.493 1226 I N 2.102 122.705 120.570 0.055 0.000 3.731 1226 I HA 0.326 4.496 4.170 -0.000 0.000 0.341 1226 I C -0.147 175.983 176.117 0.022 0.000 1.532 1226 I CA -0.129 61.178 61.300 0.012 0.000 1.163 1226 I CB -0.211 37.767 38.000 -0.037 0.000 1.339 1226 I HN 0.307 nan 8.210 nan 0.000 0.449 1227 T N 2.285 116.865 114.554 0.043 0.000 2.902 1227 T HA 0.463 4.813 4.350 -0.000 0.000 0.283 1227 T C -2.439 172.273 174.700 0.019 0.000 1.009 1227 T CA -1.082 61.044 62.100 0.044 0.000 1.051 1227 T CB 1.486 70.407 68.868 0.088 0.000 0.999 1227 T HN 0.102 nan 8.240 nan 0.000 0.474 1228 P HA 0.185 nan 4.420 nan 0.000 0.268 1228 P C -1.924 175.378 177.300 0.003 0.000 1.205 1228 P CA -1.284 61.820 63.100 0.006 0.000 0.771 1228 P CB 0.117 31.822 31.700 0.007 0.000 0.858 1229 P HA -0.323 nan 4.420 nan 0.000 0.217 1229 P C 1.666 178.962 177.300 -0.006 0.000 1.162 1229 P CA 2.649 65.743 63.100 -0.010 0.000 0.901 1229 P CB -0.392 31.300 31.700 -0.013 0.000 0.793 1230 E N 0.279 120.477 120.200 -0.003 0.000 2.086 1230 E HA -0.349 4.001 4.350 -0.000 0.000 0.205 1230 E C 2.002 178.605 176.600 0.005 0.000 1.027 1230 E CA 2.247 58.646 56.400 -0.001 0.000 0.830 1230 E CB -1.777 27.924 29.700 0.001 0.000 0.751 1230 E HN 0.579 nan 8.360 nan 0.000 0.456 1231 E N -0.400 119.806 120.200 0.011 0.000 2.152 1231 E HA -0.008 4.342 4.350 -0.000 0.000 0.192 1231 E C 2.224 178.839 176.600 0.025 0.000 0.983 1231 E CA 0.688 57.101 56.400 0.021 0.000 0.818 1231 E CB -0.175 29.543 29.700 0.029 0.000 0.758 1231 E HN 0.553 nan 8.360 nan 0.000 0.467 1232 L N 0.390 121.622 121.223 0.015 0.000 2.046 1232 L HA -0.151 4.188 4.340 -0.000 0.000 0.208 1232 L C 2.500 179.371 176.870 0.002 0.000 1.077 1232 L CA 0.525 55.366 54.840 0.003 0.000 0.747 1232 L CB -0.404 41.640 42.059 -0.024 0.000 0.896 1232 L HN 0.319 nan 8.230 nan 0.000 0.432 1233 L N 0.836 122.058 121.223 -0.001 0.000 2.079 1233 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 1233 L C 2.847 179.719 176.870 0.005 0.000 1.081 1233 L CA 2.585 57.423 54.840 -0.003 0.000 0.752 1233 L CB -1.086 40.968 42.059 -0.008 0.000 0.896 1233 L HN 0.154 nan 8.230 nan 0.000 0.433 1234 K N 0.059 120.465 120.400 0.010 0.000 2.026 1234 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 1234 K C 2.040 178.653 176.600 0.023 0.000 1.048 1234 K CA 2.064 58.361 56.287 0.015 0.000 0.929 1234 K CB -1.361 31.150 32.500 0.019 0.000 0.713 1234 K HN 0.549 nan 8.250 nan 0.000 0.439 1235 I N 0.968 121.557 120.570 0.032 0.000 2.145 1235 I HA -0.430 3.739 4.170 -0.000 0.000 0.244 1235 I C 3.027 179.164 176.117 0.034 0.000 1.075 1235 I CA 2.115 63.442 61.300 0.045 0.000 1.332 1235 I CB -0.410 37.626 38.000 0.061 0.000 1.033 1235 I HN 0.519 nan 8.210 nan 0.000 0.410 1236 Q N 0.118 119.931 119.800 0.022 0.000 2.016 1236 Q HA -0.199 4.141 4.340 -0.000 0.000 0.200 1236 Q C 2.296 178.300 176.000 0.006 0.000 0.978 1236 Q CA 2.417 58.227 55.803 0.012 0.000 0.833 1236 Q CB -0.399 28.341 28.738 0.003 0.000 0.895 1236 Q HN 0.643 nan 8.270 nan 0.000 0.427 1237 T N -1.916 112.641 114.554 0.005 0.000 2.929 1237 T HA -0.124 4.226 4.350 -0.000 0.000 0.271 1237 T C 1.878 176.583 174.700 0.008 0.000 1.085 1237 T CA 1.567 63.669 62.100 0.004 0.000 1.125 1237 T CB -0.351 68.518 68.868 0.002 0.000 0.874 1237 T HN 0.438 nan 8.240 nan 0.000 0.494 1238 T N -3.659 110.903 114.554 0.013 0.000 3.001 1238 T HA 0.538 4.887 4.350 -0.000 0.000 0.251 1238 T C 2.018 176.730 174.700 0.020 0.000 1.040 1238 T CA 0.782 62.892 62.100 0.016 0.000 0.985 1238 T CB -0.087 68.792 68.868 0.019 0.000 1.011 1238 T HN 0.824 nan 8.240 nan 0.000 0.509 1239 G N 2.492 111.306 108.800 0.023 0.000 2.708 1239 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.229 1239 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.229 1239 G C 0.339 175.263 174.900 0.040 0.000 1.236 1239 G CA 0.070 45.187 45.100 0.028 0.000 0.749 1239 G HN 0.690 nan 8.290 nan 0.000 0.515 1240 R N 1.814 122.336 120.500 0.037 0.000 2.615 1240 R HA 0.648 4.988 4.340 -0.000 0.000 0.270 1240 R C 0.733 177.065 176.300 0.053 0.000 1.081 1240 R CA 0.654 56.780 56.100 0.043 0.000 1.154 1240 R CB 0.557 30.877 30.300 0.034 0.000 1.063 1240 R HN 1.666 nan 8.270 nan 0.000 0.519 1241 G N -0.889 107.949 108.800 0.063 0.000 2.343 1241 G HA2 0.220 4.180 3.960 -0.000 0.000 0.289 1241 G HA3 0.220 4.180 3.960 -0.000 0.000 0.289 1241 G C -1.487 173.471 174.900 0.096 0.000 1.295 1241 G CA -0.537 44.609 45.100 0.076 0.000 0.869 1241 G HN 0.512 nan 8.290 nan 0.000 0.522 1242 S N -1.136 114.634 115.700 0.117 0.000 2.535 1242 S HA 0.746 5.215 4.470 -0.000 0.000 0.272 1242 S C -1.621 173.091 174.600 0.187 0.000 1.149 1242 S CA -0.463 57.806 58.200 0.115 0.000 0.888 1242 S CB 1.259 64.483 63.200 0.040 0.000 1.110 1242 S HN 1.706 nan 8.310 nan 0.000 0.463 1243 Y N 0.891 121.241 120.300 0.083 0.000 2.524 1243 Y HA 0.821 5.371 4.550 -0.000 0.000 0.347 1243 Y C -0.844 175.135 175.900 0.131 0.000 1.005 1243 Y CA -1.173 56.980 58.100 0.088 0.000 1.025 1243 Y CB 1.063 39.569 38.460 0.077 0.000 1.275 1243 Y HN 0.525 nan 8.280 nan 0.000 0.460 1244 R N 3.746 124.364 120.500 0.197 0.000 2.664 1244 R HA 0.715 5.055 4.340 -0.000 0.000 0.286 1244 R C -1.091 175.327 176.300 0.196 0.000 0.967 1244 R CA -1.044 55.099 56.100 0.073 0.000 0.933 1244 R CB 2.329 32.624 30.300 -0.008 0.000 1.146 1244 R HN 0.758 nan 8.270 nan 0.000 0.468 1245 M N 1.358 121.060 119.600 0.169 0.000 2.602 1245 M HA 0.484 4.964 4.480 -0.000 0.000 0.312 1245 M C -0.466 175.864 176.300 0.050 0.000 1.181 1245 M CA -0.733 54.684 55.300 0.196 0.000 0.910 1245 M CB 2.759 35.599 32.600 0.400 0.000 1.723 1245 M HN 0.343 nan 8.290 nan 0.000 0.459 1246 R N 0.749 121.255 120.500 0.010 0.000 2.532 1246 R HA 0.665 5.005 4.340 -0.000 0.000 0.297 1246 R C -0.738 175.607 176.300 0.073 0.000 0.984 1246 R CA -0.439 55.610 56.100 -0.085 0.000 0.884 1246 R CB 2.231 32.317 30.300 -0.357 0.000 1.182 1246 R HN 0.914 nan 8.270 nan 0.000 0.442 1247 A N 2.444 125.388 122.820 0.208 0.000 2.521 1247 A HA 0.212 4.532 4.320 -0.000 0.000 0.237 1247 A C -0.199 177.592 177.584 0.346 0.000 1.087 1247 A CA 0.016 52.211 52.037 0.263 0.000 0.777 1247 A CB 0.461 19.624 19.000 0.272 0.000 1.035 1247 A HN 0.408 nan 8.150 nan 0.000 0.510 1248 V N 1.571 121.653 119.914 0.280 0.000 2.495 1248 V HA 0.603 4.723 4.120 -0.000 0.000 0.298 1248 V C -0.730 175.548 176.094 0.306 0.000 1.031 1248 V CA -0.174 62.282 62.300 0.259 0.000 0.871 1248 V CB 1.052 32.947 31.823 0.121 0.000 0.988 1248 V HN 0.963 nan 8.190 nan 0.000 0.432 1249 Y N 1.977 122.339 120.300 0.103 0.000 2.644 1249 Y HA 0.930 5.480 4.550 -0.001 0.000 0.338 1249 Y C -0.227 175.703 175.900 0.050 0.000 1.119 1249 Y CA -0.928 57.211 58.100 0.064 0.000 1.060 1249 Y CB 1.661 40.150 38.460 0.048 0.000 1.294 1249 Y HN 0.636 nan 8.280 nan 0.000 0.472 1250 T N -0.709 113.901 114.554 0.092 0.000 2.804 1250 T HA 0.758 5.108 4.350 -0.000 0.000 0.290 1250 T C -1.226 173.556 174.700 0.137 0.000 1.099 1250 T CA -0.919 61.184 62.100 0.006 0.000 1.011 1250 T CB 1.818 70.681 68.868 -0.008 0.000 1.291 1250 T HN 0.715 nan 8.240 nan 0.000 0.523 1251 I N 0.553 121.172 120.570 0.081 0.000 2.530 1251 I HA 0.558 4.728 4.170 -0.000 0.000 0.297 1251 I C -0.480 175.665 176.117 0.046 0.000 1.011 1251 I CA -0.734 60.617 61.300 0.085 0.000 1.107 1251 I CB 1.660 39.711 38.000 0.085 0.000 1.285 1251 I HN 0.879 nan 8.210 nan 0.000 0.436 1252 E N 4.402 124.625 120.200 0.038 0.000 2.502 1252 E HA 0.466 4.815 4.350 -0.000 0.000 0.261 1252 E C 0.213 176.823 176.600 0.017 0.000 0.974 1252 E CA -0.092 56.322 56.400 0.023 0.000 0.795 1252 E CB 1.616 31.328 29.700 0.020 0.000 1.385 1252 E HN 0.734 nan 8.360 nan 0.000 0.400 1253 K N 2.283 122.691 120.400 0.014 0.000 3.733 1253 K HA -0.259 4.061 4.320 -0.000 0.000 0.163 1253 K C 0.466 177.071 176.600 0.008 0.000 1.148 1253 K CA 1.691 57.983 56.287 0.009 0.000 0.476 1253 K CB -1.851 30.652 32.500 0.006 0.000 0.693 1253 K HN 0.715 nan 8.250 nan 0.000 0.685 1254 N N 3.024 121.726 118.700 0.003 0.000 2.234 1254 N HA 0.151 4.891 4.740 -0.000 0.000 0.227 1254 N C -0.135 175.372 175.510 -0.005 0.000 1.151 1254 N CA 0.811 53.860 53.050 -0.002 0.000 0.865 1254 N CB 0.353 38.836 38.487 -0.006 0.000 1.066 1254 N HN 0.998 nan 8.380 nan 0.000 0.515 1255 E N 0.579 120.780 120.200 0.002 0.000 2.187 1255 E HA 0.451 4.800 4.350 -0.000 0.000 0.268 1255 E C -0.645 175.963 176.600 0.012 0.000 0.896 1255 E CA -0.844 55.555 56.400 -0.001 0.000 0.766 1255 E CB 1.834 31.534 29.700 -0.001 0.000 1.142 1255 E HN 0.049 nan 8.360 nan 0.000 0.408 1256 I N 3.084 123.654 120.570 0.000 0.000 2.312 1256 I HA 0.151 4.320 4.170 -0.000 0.000 0.291 1256 I C -0.585 175.553 176.117 0.034 0.000 1.031 1256 I CA -1.062 60.250 61.300 0.020 0.000 1.293 1256 I CB 1.266 39.227 38.000 -0.064 0.000 1.403 1256 I HN 0.399 nan 8.210 nan 0.000 0.484 1257 V N 8.142 128.106 119.914 0.084 0.000 2.333 1257 V HA 0.366 4.486 4.120 -0.000 0.000 0.274 1257 V C 0.293 176.453 176.094 0.109 0.000 1.028 1257 V CA -0.362 61.980 62.300 0.070 0.000 0.851 1257 V CB 1.309 33.162 31.823 0.051 0.000 1.000 1257 V HN 0.460 nan 8.190 nan 0.000 0.456 1258 I N 5.173 125.791 120.570 0.080 0.000 2.321 1258 I HA 0.330 4.500 4.170 -0.000 0.000 0.291 1258 I C 1.148 177.309 176.117 0.073 0.000 0.998 1258 I CA -0.119 61.243 61.300 0.103 0.000 1.227 1258 I CB 1.819 39.860 38.000 0.069 0.000 1.368 1258 I HN 0.705 nan 8.210 nan 0.000 0.466 1259 T N 0.558 115.162 114.554 0.084 0.000 2.975 1259 T HA 0.251 4.601 4.350 -0.000 0.000 0.257 1259 T C 0.399 175.136 174.700 0.062 0.000 1.003 1259 T CA -0.062 62.073 62.100 0.058 0.000 0.932 1259 T CB 0.443 69.339 68.868 0.047 0.000 1.087 1259 T HN 0.440 nan 8.240 nan 0.000 0.512 1260 E N 1.602 121.852 120.200 0.085 0.000 2.260 1260 E HA 0.532 4.882 4.350 -0.000 0.000 0.266 1260 E C -0.988 175.675 176.600 0.103 0.000 0.887 1260 E CA -0.458 55.993 56.400 0.085 0.000 0.777 1260 E CB 2.461 32.211 29.700 0.084 0.000 1.205 1260 E HN 0.418 nan 8.360 nan 0.000 0.414 1261 L N 2.789 124.066 121.223 0.090 0.000 2.352 1261 L HA 0.568 4.908 4.340 -0.000 0.000 0.269 1261 L C -2.169 174.775 176.870 0.124 0.000 1.034 1261 L CA -2.203 52.697 54.840 0.100 0.000 0.806 1261 L CB 0.855 42.953 42.059 0.065 0.000 1.244 1261 L HN 0.127 nan 8.230 nan 0.000 0.447 1262 P HA 0.016 nan 4.420 nan 0.000 0.274 1262 P C -0.981 176.483 177.300 0.274 0.000 1.246 1262 P CA -0.384 62.852 63.100 0.226 0.000 0.795 1262 P CB 0.286 32.140 31.700 0.256 0.000 1.006 1263 Y N 1.927 122.316 120.300 0.147 0.000 2.916 1263 Y HA -0.232 4.318 4.550 -0.000 0.000 0.344 1263 Y C 1.120 177.108 175.900 0.147 0.000 1.282 1263 Y CA 0.596 58.719 58.100 0.038 0.000 1.604 1263 Y CB -0.293 38.015 38.460 -0.253 0.000 1.207 1263 Y HN 0.494 nan 8.280 nan 0.000 0.561 1264 Q N 1.363 121.040 119.800 -0.205 0.000 2.489 1264 Q HA -0.195 4.144 4.340 -0.000 0.000 0.259 1264 Q C -1.023 174.920 176.000 -0.095 0.000 0.934 1264 Q CA 0.588 56.229 55.803 -0.270 0.000 1.131 1264 Q CB -1.867 26.557 28.738 -0.524 0.000 1.472 1264 Q HN 0.421 nan 8.270 nan 0.000 0.560 1265 V N 1.724 121.625 119.914 -0.023 0.000 2.333 1265 V HA 0.273 4.393 4.120 -0.000 0.000 0.274 1265 V C 0.538 176.607 176.094 -0.041 0.000 1.028 1265 V CA 0.072 62.360 62.300 -0.020 0.000 0.851 1265 V CB 1.633 33.468 31.823 0.019 0.000 1.000 1265 V HN 0.303 nan 8.190 nan 0.000 0.456 1266 S N 4.549 120.211 115.700 -0.063 0.000 2.516 1266 S HA 0.203 4.673 4.470 -0.000 0.000 0.282 1266 S C 1.655 176.225 174.600 -0.050 0.000 1.286 1266 S CA 0.171 58.326 58.200 -0.075 0.000 1.066 1266 S CB 1.081 64.234 63.200 -0.078 0.000 0.884 1266 S HN 1.008 nan 8.310 nan 0.000 0.491 1267 G N 4.364 113.135 108.800 -0.048 0.000 2.556 1267 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 1267 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 1267 G C 1.588 176.468 174.900 -0.032 0.000 1.156 1267 G CA 1.235 46.316 45.100 -0.031 0.000 0.766 1267 G HN 0.744 nan 8.290 nan 0.000 0.583 1268 S N 0.612 116.289 115.700 -0.038 0.000 2.354 1268 S HA -0.143 4.327 4.470 -0.000 0.000 0.219 1268 S C 2.173 176.752 174.600 -0.034 0.000 1.035 1268 S CA 1.809 59.988 58.200 -0.035 0.000 1.037 1268 S CB -0.381 62.797 63.200 -0.037 0.000 0.956 1268 S HN 0.548 nan 8.310 nan 0.000 0.428 1269 K N 1.239 121.617 120.400 -0.038 0.000 2.163 1269 K HA -0.174 4.146 4.320 -0.000 0.000 0.210 1269 K C 1.694 178.274 176.600 -0.033 0.000 1.048 1269 K CA 1.566 57.832 56.287 -0.036 0.000 0.928 1269 K CB -0.599 31.877 32.500 -0.040 0.000 0.716 1269 K HN 0.175 nan 8.250 nan 0.000 0.459 1270 V N 0.948 120.843 119.914 -0.032 0.000 2.270 1270 V HA -0.231 3.888 4.120 -0.000 0.000 0.245 1270 V C 2.224 178.298 176.094 -0.032 0.000 1.043 1270 V CA 2.110 64.391 62.300 -0.030 0.000 1.014 1270 V CB -0.356 31.452 31.823 -0.024 0.000 0.645 1270 V HN 0.356 nan 8.190 nan 0.000 0.447 1271 I N -0.243 120.309 120.570 -0.030 0.000 2.248 1271 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 1271 I C 2.462 178.563 176.117 -0.027 0.000 1.107 1271 I CA 1.821 63.103 61.300 -0.029 0.000 1.373 1271 I CB -0.780 37.204 38.000 -0.026 0.000 1.055 1271 I HN 0.342 nan 8.210 nan 0.000 0.418 1272 T N 0.111 114.649 114.554 -0.028 0.000 2.588 1272 T HA -0.228 4.122 4.350 -0.000 0.000 0.261 1272 T C 1.862 176.547 174.700 -0.026 0.000 1.069 1272 T CA 1.475 63.559 62.100 -0.026 0.000 1.172 1272 T CB -0.329 68.523 68.868 -0.027 0.000 0.863 1272 T HN 0.370 nan 8.240 nan 0.000 0.408 1273 Q N 0.140 119.923 119.800 -0.028 0.000 2.182 1273 Q HA -0.177 4.163 4.340 -0.000 0.000 0.213 1273 Q C 2.321 178.305 176.000 -0.026 0.000 1.000 1273 Q CA 1.711 57.497 55.803 -0.029 0.000 0.889 1273 Q CB -0.502 28.215 28.738 -0.035 0.000 0.932 1273 Q HN 0.545 nan 8.270 nan 0.000 0.415 1274 I N 0.073 120.625 120.570 -0.029 0.000 2.113 1274 I HA -0.275 3.894 4.170 -0.000 0.000 0.238 1274 I C 2.311 178.417 176.117 -0.019 0.000 1.070 1274 I CA 1.069 62.353 61.300 -0.026 0.000 1.332 1274 I CB -0.486 37.494 38.000 -0.034 0.000 1.044 1274 I HN 0.194 nan 8.210 nan 0.000 0.402 1275 A N -0.058 122.749 122.820 -0.021 0.000 2.125 1275 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 1275 A C 1.793 179.368 177.584 -0.015 0.000 1.156 1275 A CA 1.750 53.776 52.037 -0.018 0.000 0.671 1275 A CB -0.542 18.447 19.000 -0.018 0.000 0.794 1275 A HN 0.377 nan 8.150 nan 0.000 0.459 1276 D N -0.418 119.973 120.400 -0.015 0.000 2.123 1276 D HA -0.103 4.536 4.640 -0.000 0.000 0.200 1276 D C 2.198 178.493 176.300 -0.008 0.000 0.976 1276 D CA 1.266 55.259 54.000 -0.012 0.000 0.831 1276 D CB -0.251 40.541 40.800 -0.014 0.000 0.974 1276 D HN 0.596 nan 8.370 nan 0.000 0.469 1277 Q N -0.439 119.359 119.800 -0.003 0.000 2.119 1277 Q HA -0.054 4.286 4.340 -0.000 0.000 0.201 1277 Q C 2.280 178.279 176.000 -0.001 0.000 0.972 1277 Q CA 0.901 56.708 55.803 0.007 0.000 0.847 1277 Q CB -0.011 28.743 28.738 0.027 0.000 0.903 1277 Q HN 0.313 nan 8.270 nan 0.000 0.433 1278 M N -0.098 119.498 119.600 -0.007 0.000 2.065 1278 M HA -0.281 4.199 4.480 -0.000 0.000 0.259 1278 M C 2.758 179.051 176.300 -0.012 0.000 1.069 1278 M CA 2.292 57.584 55.300 -0.013 0.000 1.110 1278 M CB -0.635 31.956 32.600 -0.016 0.000 1.328 1278 M HN 0.367 nan 8.290 nan 0.000 0.405 1279 Q N 0.054 119.847 119.800 -0.011 0.000 2.124 1279 Q HA -0.038 4.302 4.340 -0.000 0.000 0.202 1279 Q C 2.100 178.095 176.000 -0.009 0.000 0.977 1279 Q CA 1.925 57.722 55.803 -0.011 0.000 0.850 1279 Q CB -1.243 27.489 28.738 -0.011 0.000 0.901 1279 Q HN 0.713 nan 8.270 nan 0.000 0.429 1280 A N -0.555 122.261 122.820 -0.008 0.000 2.119 1280 A HA 0.252 4.572 4.320 -0.000 0.000 0.217 1280 A C 1.413 178.993 177.584 -0.007 0.000 1.153 1280 A CA 1.462 53.496 52.037 -0.006 0.000 0.692 1280 A CB 0.054 19.052 19.000 -0.002 0.000 0.799 1280 A HN 0.649 nan 8.150 nan 0.000 0.458 1281 K N -1.383 119.011 120.400 -0.009 0.000 3.230 1281 K HA -0.175 4.145 4.320 -0.000 0.000 0.285 1281 K C 0.647 177.238 176.600 -0.015 0.000 1.196 1281 K CA 1.502 57.780 56.287 -0.014 0.000 0.838 1281 K CB -2.212 30.280 32.500 -0.014 0.000 1.262 1281 K HN 0.636 nan 8.250 nan 0.000 0.492 1282 K N -0.341 120.055 120.400 -0.007 0.000 2.217 1282 K HA 0.043 4.363 4.320 -0.000 0.000 0.202 1282 K C 0.377 176.958 176.600 -0.032 0.000 1.051 1282 K CA 0.976 57.260 56.287 -0.004 0.000 0.952 1282 K CB 0.116 32.634 32.500 0.030 0.000 0.736 1282 K HN 0.225 nan 8.250 nan 0.000 0.453 1283 L N 1.849 123.053 121.223 -0.031 0.000 2.319 1283 L HA 0.266 4.606 4.340 -0.000 0.000 0.281 1283 L C -2.269 174.572 176.870 -0.048 0.000 1.005 1283 L CA -1.705 53.098 54.840 -0.060 0.000 0.828 1283 L CB 1.738 43.771 42.059 -0.044 0.000 1.227 1283 L HN -0.163 nan 8.230 nan 0.000 0.415 1284 P HA 0.228 nan 4.420 nan 0.000 0.269 1284 P C 0.788 178.061 177.300 -0.045 0.000 1.478 1284 P CA -0.020 63.054 63.100 -0.043 0.000 1.045 1284 P CB 0.451 32.127 31.700 -0.041 0.000 1.512 1285 L N -2.173 119.018 121.223 -0.054 0.000 2.515 1285 L HA 0.189 4.529 4.340 -0.000 0.000 0.223 1285 L C 0.761 177.605 176.870 -0.044 0.000 1.079 1285 L CA 0.197 55.005 54.840 -0.054 0.000 0.857 1285 L CB -0.062 41.953 42.059 -0.073 0.000 1.050 1285 L HN -0.267 nan 8.230 nan 0.000 0.476 1286 V N -0.055 119.835 119.914 -0.041 0.000 2.539 1286 V HA 0.152 4.271 4.120 -0.000 0.000 0.292 1286 V C 1.007 177.084 176.094 -0.028 0.000 1.045 1286 V CA -0.193 62.086 62.300 -0.035 0.000 0.945 1286 V CB 2.539 34.340 31.823 -0.036 0.000 0.993 1286 V HN -0.124 nan 8.190 nan 0.000 0.464 1287 V N 1.859 121.757 119.914 -0.025 0.000 3.263 1287 V HA 0.237 4.357 4.120 -0.000 0.000 0.248 1287 V C 0.241 176.323 176.094 -0.019 0.000 1.145 1287 V CA 1.064 63.352 62.300 -0.021 0.000 1.107 1287 V CB 0.254 32.066 31.823 -0.018 0.000 0.797 1287 V HN 1.037 nan 8.190 nan 0.000 0.467 1288 D N -2.237 118.150 120.400 -0.021 0.000 2.807 1288 D HA 0.225 4.864 4.640 -0.000 0.000 0.279 1288 D C -1.775 174.512 176.300 -0.023 0.000 1.247 1288 D CA -0.119 53.869 54.000 -0.019 0.000 0.749 1288 D CB 2.174 42.965 40.800 -0.016 0.000 1.264 1288 D HN -0.213 nan 8.370 nan 0.000 0.421 1289 V N 0.926 120.827 119.914 -0.022 0.000 2.445 1289 V HA 0.701 4.821 4.120 -0.000 0.000 0.283 1289 V C 0.304 176.387 176.094 -0.019 0.000 1.014 1289 V CA -0.555 61.730 62.300 -0.024 0.000 0.852 1289 V CB 1.118 32.924 31.823 -0.028 0.000 1.021 1289 V HN 0.709 nan 8.190 nan 0.000 0.435 1290 R N 1.820 122.310 120.500 -0.017 0.000 2.202 1290 R HA 0.457 4.797 4.340 -0.000 0.000 0.334 1290 R C -0.062 176.229 176.300 -0.014 0.000 1.036 1290 R CA -0.516 55.575 56.100 -0.014 0.000 0.878 1290 R CB 0.606 30.899 30.300 -0.011 0.000 1.067 1290 R HN 0.775 nan 8.270 nan 0.000 0.457 1291 D N 2.735 123.126 120.400 -0.014 0.000 2.517 1291 D HA 0.051 4.690 4.640 -0.000 0.000 0.220 1291 D C -0.741 175.549 176.300 -0.016 0.000 1.158 1291 D CA -0.021 53.970 54.000 -0.015 0.000 0.992 1291 D CB 0.107 40.897 40.800 -0.016 0.000 1.058 1291 D HN 0.632 nan 8.370 nan 0.000 0.516 1292 E N 0.702 120.892 120.200 -0.017 0.000 2.390 1292 E HA 0.449 4.798 4.350 -0.000 0.000 0.261 1292 E C -0.472 176.110 176.600 -0.031 0.000 1.076 1292 E CA -0.089 56.297 56.400 -0.023 0.000 0.905 1292 E CB 1.034 30.721 29.700 -0.021 0.000 0.984 1292 E HN 0.185 nan 8.360 nan 0.000 0.427 1293 S N 0.707 116.376 115.700 -0.052 0.000 2.744 1293 S HA 0.321 4.790 4.470 -0.000 0.000 0.284 1293 S C -2.133 172.395 174.600 -0.120 0.000 0.979 1293 S CA -0.821 57.341 58.200 -0.064 0.000 0.870 1293 S CB 0.759 63.938 63.200 -0.035 0.000 1.094 1293 S HN 0.716 nan 8.310 nan 0.000 0.458 1294 D N -0.630 119.672 120.400 -0.163 0.000 2.913 1294 D HA 0.211 4.851 4.640 -0.000 0.000 0.293 1294 D C 0.490 176.633 176.300 -0.263 0.000 1.238 1294 D CA -0.521 53.256 54.000 -0.370 0.000 0.738 1294 D CB -0.706 39.636 40.800 -0.765 0.000 1.254 1294 D HN 0.602 nan 8.370 nan 0.000 0.429 1295 H N -0.848 118.239 119.070 0.027 0.000 2.375 1295 H HA -0.183 4.373 4.556 -0.001 0.000 0.289 1295 H C 0.958 176.303 175.328 0.028 0.000 1.121 1295 H CA 2.259 58.325 56.048 0.030 0.000 1.207 1295 H CB -0.259 29.520 29.762 0.027 0.000 1.355 1295 H HN 0.371 nan 8.280 nan 0.000 0.486 1296 E N 0.313 120.483 120.200 -0.049 0.000 2.122 1296 E HA 0.044 4.394 4.350 -0.000 0.000 0.190 1296 E C -0.219 176.370 176.600 -0.019 0.000 0.977 1296 E CA 0.610 57.005 56.400 -0.009 0.000 0.820 1296 E CB 0.298 29.985 29.700 -0.021 0.000 0.770 1296 E HN 0.502 nan 8.360 nan 0.000 0.462 1297 N N 0.226 118.894 118.700 -0.053 0.000 2.569 1297 N HA 0.192 4.932 4.740 -0.000 0.000 0.254 1297 N C -2.318 173.180 175.510 -0.020 0.000 1.004 1297 N CA -1.537 51.498 53.050 -0.026 0.000 0.904 1297 N CB 1.639 40.108 38.487 -0.030 0.000 1.165 1297 N HN -0.179 nan 8.380 nan 0.000 0.513 1298 P HA -0.125 nan 4.420 nan 0.000 0.216 1298 P C -0.263 177.043 177.300 0.009 0.000 1.153 1298 P CA 1.560 64.672 63.100 0.020 0.000 0.858 1298 P CB 0.327 32.051 31.700 0.039 0.000 0.789 1299 T N -0.745 113.816 114.554 0.010 0.000 2.876 1299 T HA 0.571 4.921 4.350 -0.000 0.000 0.289 1299 T C -0.308 174.396 174.700 0.007 0.000 1.014 1299 T CA -0.666 61.439 62.100 0.009 0.000 0.986 1299 T CB 2.338 71.220 68.868 0.022 0.000 1.021 1299 T HN -0.109 nan 8.240 nan 0.000 0.458 1300 R N 2.395 122.896 120.500 0.002 0.000 2.986 1300 R HA 0.219 4.559 4.340 -0.000 0.000 0.193 1300 R C -1.881 174.418 176.300 -0.000 0.000 1.533 1300 R CA -0.417 55.685 56.100 0.002 0.000 1.112 1300 R CB -0.214 30.079 30.300 -0.011 0.000 1.546 1300 R HN 0.349 nan 8.270 nan 0.000 0.605 1301 L N 2.881 124.107 121.223 0.005 0.000 2.268 1301 L HA 0.335 4.675 4.340 -0.000 0.000 0.289 1301 L C -0.147 176.720 176.870 -0.005 0.000 1.064 1301 L CA -0.323 54.515 54.840 -0.004 0.000 0.824 1301 L CB 1.586 43.640 42.059 -0.008 0.000 1.202 1301 L HN 0.113 nan 8.230 nan 0.000 0.433 1302 V N 5.355 125.264 119.914 -0.008 0.000 2.406 1302 V HA 0.336 4.455 4.120 -0.000 0.000 0.272 1302 V C 0.479 176.560 176.094 -0.021 0.000 1.043 1302 V CA -0.410 61.884 62.300 -0.009 0.000 0.915 1302 V CB 1.122 32.941 31.823 -0.006 0.000 0.988 1302 V HN 0.466 nan 8.190 nan 0.000 0.466 1303 I N 5.267 125.819 120.570 -0.031 0.000 2.312 1303 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 1303 I C -0.401 175.695 176.117 -0.035 0.000 1.008 1303 I CA -0.493 60.781 61.300 -0.043 0.000 1.226 1303 I CB 1.802 39.758 38.000 -0.074 0.000 1.371 1303 I HN 0.341 nan 8.210 nan 0.000 0.468 1304 V N 7.528 127.424 119.914 -0.030 0.000 2.348 1304 V HA 0.323 4.442 4.120 -0.000 0.000 0.270 1304 V C 0.965 177.042 176.094 -0.028 0.000 1.037 1304 V CA -0.525 61.760 62.300 -0.024 0.000 0.872 1304 V CB 0.849 32.661 31.823 -0.018 0.000 1.002 1304 V HN 0.583 nan 8.190 nan 0.000 0.464 1305 L N 5.064 126.270 121.223 -0.028 0.000 2.475 1305 L HA 0.752 5.092 4.340 -0.000 0.000 0.212 1305 L C 1.850 178.705 176.870 -0.024 0.000 1.204 1305 L CA 0.749 55.571 54.840 -0.030 0.000 0.843 1305 L CB -0.811 41.230 42.059 -0.030 0.000 1.360 1305 L HN 0.881 nan 8.230 nan 0.000 0.527 1306 R N -0.332 120.153 120.500 -0.025 0.000 2.040 1306 R HA 0.383 4.723 4.340 -0.000 0.000 0.219 1306 R C 1.843 178.134 176.300 -0.016 0.000 1.216 1306 R CA 1.580 57.668 56.100 -0.020 0.000 0.952 1306 R CB -1.117 29.169 30.300 -0.022 0.000 0.833 1306 R HN 1.552 nan 8.270 nan 0.000 0.456 1307 S N -1.710 113.981 115.700 -0.015 0.000 2.690 1307 S HA 0.412 4.881 4.470 -0.000 0.000 0.291 1307 S C 0.922 175.517 174.600 -0.009 0.000 1.138 1307 S CA 0.294 58.488 58.200 -0.011 0.000 1.013 1307 S CB 1.026 64.219 63.200 -0.010 0.000 1.053 1307 S HN 0.920 nan 8.310 nan 0.000 0.539 1308 N N 0.361 119.057 118.700 -0.005 0.000 2.535 1308 N HA 0.153 4.893 4.740 -0.000 0.000 0.203 1308 N C 1.230 176.739 175.510 -0.002 0.000 1.301 1308 N CA 0.827 53.876 53.050 -0.002 0.000 0.859 1308 N CB -0.865 37.622 38.487 -0.000 0.000 1.055 1308 N HN 0.821 nan 8.380 nan 0.000 0.457 1309 R N -0.150 120.347 120.500 -0.005 0.000 2.287 1309 R HA 0.434 4.774 4.340 -0.000 0.000 0.197 1309 R C 0.888 177.184 176.300 -0.007 0.000 0.900 1309 R CA 0.242 56.339 56.100 -0.005 0.000 1.052 1309 R CB -0.416 29.880 30.300 -0.006 0.000 1.117 1309 R HN 0.577 nan 8.270 nan 0.000 0.568 1310 I N 2.034 122.597 120.570 -0.010 0.000 2.754 1310 I HA 0.085 4.255 4.170 -0.000 0.000 0.285 1310 I C -0.298 175.813 176.117 -0.010 0.000 1.166 1310 I CA -0.146 61.145 61.300 -0.015 0.000 1.417 1310 I CB 1.147 39.133 38.000 -0.023 0.000 1.382 1310 I HN 0.168 nan 8.210 nan 0.000 0.588 1311 D N 4.923 125.316 120.400 -0.010 0.000 2.619 1311 D HA 0.278 4.918 4.640 -0.000 0.000 0.224 1311 D C 1.145 177.443 176.300 -0.003 0.000 1.133 1311 D CA -0.003 53.997 54.000 -0.000 0.000 1.017 1311 D CB 0.601 41.403 40.800 0.003 0.000 1.077 1311 D HN 0.611 nan 8.370 nan 0.000 0.503 1312 A N 3.204 126.022 122.820 -0.002 0.000 1.944 1312 A HA -0.321 3.999 4.320 -0.000 0.000 0.222 1312 A C 2.071 179.645 177.584 -0.018 0.000 1.237 1312 A CA 1.626 53.654 52.037 -0.015 0.000 0.668 1312 A CB -0.404 18.603 19.000 0.011 0.000 0.830 1312 A HN 0.491 nan 8.150 nan 0.000 0.471 1313 E N -0.568 119.654 120.200 0.037 0.000 2.136 1313 E HA -0.280 4.070 4.350 -0.000 0.000 0.202 1313 E C 2.308 178.925 176.600 0.030 0.000 1.019 1313 E CA 1.657 58.098 56.400 0.068 0.000 0.819 1313 E CB -0.809 28.943 29.700 0.087 0.000 0.739 1313 E HN 0.706 nan 8.360 nan 0.000 0.458 1314 A N 0.633 123.461 122.820 0.013 0.000 1.872 1314 A HA -0.105 4.214 4.320 -0.000 0.000 0.214 1314 A C 2.640 180.221 177.584 -0.004 0.000 1.187 1314 A CA 1.585 53.631 52.037 0.014 0.000 0.614 1314 A CB -0.661 18.339 19.000 0.001 0.000 0.826 1314 A HN 0.139 nan 8.150 nan 0.000 0.442 1315 V N -0.457 119.429 119.914 -0.046 0.000 2.255 1315 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 1315 V C 2.594 178.609 176.094 -0.132 0.000 1.051 1315 V CA 2.132 64.392 62.300 -0.067 0.000 1.018 1315 V CB -0.929 30.840 31.823 -0.090 0.000 0.641 1315 V HN 0.462 nan 8.190 nan 0.000 0.445 1316 M N 0.162 119.602 119.600 -0.267 0.000 2.117 1316 M HA -0.128 4.351 4.480 -0.000 0.000 0.262 1316 M C 2.487 178.427 176.300 -0.600 0.000 1.065 1316 M CA 1.876 56.811 55.300 -0.608 0.000 1.114 1316 M CB -1.489 30.585 32.600 -0.876 0.000 1.361 1316 M HN 0.462 nan 8.290 nan 0.000 0.408 1317 S N -1.209 114.385 115.700 -0.177 0.000 2.399 1317 S HA -0.189 4.281 4.470 -0.000 0.000 0.231 1317 S C 1.875 176.523 174.600 0.079 0.000 1.022 1317 S CA 1.556 59.807 58.200 0.085 0.000 0.983 1317 S CB -0.268 63.014 63.200 0.136 0.000 0.803 1317 S HN 0.628 nan 8.310 nan 0.000 0.480 1318 H N 1.271 120.300 119.070 -0.067 0.000 2.276 1318 H HA 0.104 4.660 4.556 -0.001 0.000 0.301 1318 H C 1.954 177.245 175.328 -0.061 0.000 1.073 1318 H CA 1.912 57.932 56.048 -0.047 0.000 1.311 1318 H CB -0.503 29.223 29.762 -0.061 0.000 1.379 1318 H HN 0.286 nan 8.280 nan 0.000 0.494 1319 L N -0.493 120.631 121.223 -0.165 0.000 1.997 1319 L HA -0.242 4.097 4.340 -0.000 0.000 0.216 1319 L C 2.438 179.212 176.870 -0.161 0.000 1.074 1319 L CA 1.776 56.481 54.840 -0.225 0.000 0.763 1319 L CB -0.920 40.980 42.059 -0.264 0.000 0.890 1319 L HN 0.337 nan 8.230 nan 0.000 0.434 1320 F N 0.252 120.124 119.950 -0.129 0.000 2.085 1320 F HA -0.320 4.208 4.527 0.001 0.000 0.299 1320 F C 2.275 178.002 175.800 -0.122 0.000 1.096 1320 F CA 0.810 58.749 58.000 -0.101 0.000 1.227 1320 F CB -0.288 38.676 39.000 -0.060 0.000 0.983 1320 F HN 0.127 nan 8.300 nan 0.000 0.482 1321 A N -0.658 122.178 122.820 0.027 0.000 2.411 1321 A HA 0.197 4.517 4.320 -0.000 0.000 0.251 1321 A C 1.001 178.485 177.584 -0.167 0.000 1.317 1321 A CA 0.898 52.898 52.037 -0.061 0.000 0.904 1321 A CB -0.838 18.135 19.000 -0.044 0.000 0.993 1321 A HN 0.429 nan 8.150 nan 0.000 0.504 1322 T N -5.151 109.287 114.554 -0.192 0.000 3.207 1322 T HA 0.158 4.507 4.350 -0.000 0.000 0.277 1322 T C 0.661 175.290 174.700 -0.118 0.000 0.865 1322 T CA 0.720 62.703 62.100 -0.195 0.000 0.857 1322 T CB -0.302 68.366 68.868 -0.333 0.000 1.240 1322 T HN 0.449 nan 8.240 nan 0.000 0.618 1323 T N -0.537 113.963 114.554 -0.091 0.000 2.807 1323 T HA 0.570 4.919 4.350 -0.000 0.000 0.277 1323 T C -0.384 174.295 174.700 -0.035 0.000 1.006 1323 T CA -0.550 61.515 62.100 -0.058 0.000 1.006 1323 T CB 1.365 70.200 68.868 -0.056 0.000 1.274 1323 T HN -0.216 nan 8.240 nan 0.000 0.569 1324 D N -0.125 120.257 120.400 -0.029 0.000 2.340 1324 D HA 0.193 4.833 4.640 -0.000 0.000 0.220 1324 D C 1.855 178.166 176.300 0.019 0.000 1.039 1324 D CA 0.109 54.092 54.000 -0.029 0.000 0.866 1324 D CB -0.202 40.573 40.800 -0.041 0.000 0.913 1324 D HN 0.383 nan 8.370 nan 0.000 0.523 1325 L N 0.684 121.943 121.223 0.060 0.000 2.261 1325 L HA -0.109 4.231 4.340 -0.000 0.000 0.216 1325 L C 1.299 178.306 176.870 0.229 0.000 1.114 1325 L CA 1.094 56.026 54.840 0.153 0.000 0.777 1325 L CB -0.363 41.780 42.059 0.141 0.000 0.910 1325 L HN 0.039 nan 8.230 nan 0.000 0.440 1326 E N -0.629 119.666 120.200 0.158 0.000 2.199 1326 E HA 0.624 4.974 4.350 -0.000 0.000 0.269 1326 E C -0.796 175.765 176.600 -0.066 0.000 0.899 1326 E CA -0.360 56.054 56.400 0.024 0.000 0.772 1326 E CB 2.110 31.807 29.700 -0.006 0.000 1.155 1326 E HN -0.008 nan 8.360 nan 0.000 0.408 1327 S N 0.161 115.770 115.700 -0.152 0.000 2.556 1327 S HA 0.714 5.184 4.470 -0.000 0.000 0.271 1327 S C -0.827 173.458 174.600 -0.526 0.000 1.135 1327 S CA 0.012 58.009 58.200 -0.338 0.000 0.858 1327 S CB 1.686 64.630 63.200 -0.427 0.000 1.114 1327 S HN 0.947 nan 8.310 nan 0.000 0.468 1328 S N 1.793 117.153 115.700 -0.567 0.000 2.593 1328 S HA 0.789 5.259 4.470 -0.000 0.000 0.297 1328 S C -1.874 172.281 174.600 -0.742 0.000 1.112 1328 S CA -0.326 57.567 58.200 -0.512 0.000 1.043 1328 S CB 0.590 63.634 63.200 -0.260 0.000 1.054 1328 S HN 0.604 nan 8.310 nan 0.000 0.516 1329 Y N 1.431 121.499 120.300 -0.387 0.000 2.346 1329 Y HA 0.447 4.996 4.550 -0.001 0.000 0.332 1329 Y C 0.549 176.283 175.900 -0.277 0.000 0.985 1329 Y CA -1.016 56.816 58.100 -0.445 0.000 1.112 1329 Y CB 1.457 39.344 38.460 -0.955 0.000 1.170 1329 Y HN 0.578 nan 8.280 nan 0.000 0.447 1330 R N 1.636 122.159 120.500 0.037 0.000 2.623 1330 R HA 0.412 4.752 4.340 -0.000 0.000 0.271 1330 R C -1.111 175.264 176.300 0.125 0.000 1.043 1330 R CA -0.078 56.060 56.100 0.064 0.000 1.083 1330 R CB 0.629 30.962 30.300 0.055 0.000 0.974 1330 R HN 0.409 nan 8.270 nan 0.000 0.436 1331 V N 3.773 123.762 119.914 0.125 0.000 2.398 1331 V HA 0.189 4.309 4.120 -0.000 0.000 0.282 1331 V C -0.440 175.706 176.094 0.087 0.000 1.014 1331 V CA -0.589 61.793 62.300 0.137 0.000 0.838 1331 V CB 1.224 33.153 31.823 0.176 0.000 1.018 1331 V HN 0.818 nan 8.190 nan 0.000 0.432 1332 N N 5.079 123.821 118.700 0.071 0.000 2.804 1332 N HA 0.360 5.100 4.740 -0.000 0.000 0.251 1332 N C -0.196 175.337 175.510 0.037 0.000 1.250 1332 N CA -0.597 52.481 53.050 0.048 0.000 0.820 1332 N CB 0.872 39.383 38.487 0.040 0.000 1.156 1332 N HN 0.623 nan 8.380 nan 0.000 0.512 1333 L N 1.834 123.077 121.223 0.034 0.000 2.679 1333 L HA 0.079 4.419 4.340 -0.000 0.000 0.241 1333 L C 0.413 177.286 176.870 0.006 0.000 1.441 1333 L CA 0.017 54.869 54.840 0.020 0.000 1.181 1333 L CB -1.518 40.550 42.059 0.016 0.000 1.451 1333 L HN 0.459 nan 8.230 nan 0.000 0.446 1334 N N 3.021 121.723 118.700 0.004 0.000 2.476 1334 N HA 0.774 5.514 4.740 -0.000 0.000 0.275 1334 N C -0.443 175.054 175.510 -0.021 0.000 1.190 1334 N CA -0.381 52.662 53.050 -0.010 0.000 0.977 1334 N CB 1.069 39.551 38.487 -0.009 0.000 1.200 1334 N HN 0.374 nan 8.380 nan 0.000 0.515 1335 M N -0.143 119.433 119.600 -0.041 0.000 2.924 1335 M HA 0.239 4.719 4.480 -0.000 0.000 0.259 1335 M C -1.904 174.334 176.300 -0.103 0.000 0.924 1335 M CA -0.804 54.461 55.300 -0.059 0.000 0.805 1335 M CB 0.491 33.060 32.600 -0.052 0.000 1.684 1335 M HN 0.083 nan 8.290 nan 0.000 0.572 1336 I N 2.403 122.887 120.570 -0.143 0.000 2.496 1336 I HA 0.521 4.691 4.170 -0.000 0.000 0.285 1336 I C 1.033 176.891 176.117 -0.431 0.000 1.080 1336 I CA 0.461 61.625 61.300 -0.227 0.000 1.404 1336 I CB 0.356 38.246 38.000 -0.184 0.000 1.403 1336 I HN 0.855 nan 8.210 nan 0.000 0.539 1337 G N 4.049 112.654 108.800 -0.325 0.000 2.531 1337 G HA2 0.268 4.228 3.960 -0.000 0.000 0.313 1337 G HA3 0.268 4.228 3.960 -0.000 0.000 0.313 1337 G C 0.776 175.490 174.900 -0.310 0.000 1.238 1337 G CA -0.276 44.644 45.100 -0.299 0.000 0.994 1337 G HN 0.771 nan 8.290 nan 0.000 0.493 1338 E N -0.453 119.687 120.200 -0.101 0.000 2.160 1338 E HA -0.233 4.116 4.350 -0.000 0.000 0.195 1338 E C 1.548 178.171 176.600 0.038 0.000 0.991 1338 E CA 1.926 58.366 56.400 0.067 0.000 0.810 1338 E CB -0.118 29.616 29.700 0.058 0.000 0.742 1338 E HN 0.491 nan 8.360 nan 0.000 0.466 1339 D N -0.324 120.068 120.400 -0.013 0.000 2.384 1339 D HA -0.078 4.562 4.640 -0.000 0.000 0.222 1339 D C 1.479 177.776 176.300 -0.006 0.000 0.976 1339 D CA 1.020 55.014 54.000 -0.009 0.000 0.915 1339 D CB -0.331 40.458 40.800 -0.020 0.000 0.896 1339 D HN 0.468 nan 8.370 nan 0.000 0.523 1340 G N -0.687 108.109 108.800 -0.005 0.000 2.179 1340 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 1340 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 1340 G C 0.556 175.438 174.900 -0.031 0.000 0.977 1340 G CA 0.650 45.755 45.100 0.009 0.000 0.641 1340 G HN 0.873 nan 8.290 nan 0.000 0.533 1341 R N 0.126 120.594 120.500 -0.054 0.000 2.732 1341 R HA 0.882 5.222 4.340 -0.000 0.000 0.278 1341 R C -3.027 173.228 176.300 -0.076 0.000 0.976 1341 R CA -1.281 54.785 56.100 -0.057 0.000 0.963 1341 R CB 0.431 30.705 30.300 -0.043 0.000 1.150 1341 R HN 0.211 nan 8.270 nan 0.000 0.478 1342 P HA 0.254 nan 4.420 nan 0.000 0.282 1342 P C -1.220 176.051 177.300 -0.048 0.000 1.274 1342 P CA -0.172 62.889 63.100 -0.065 0.000 0.770 1342 P CB 1.128 32.793 31.700 -0.058 0.000 0.867 1343 Q N 2.212 121.983 119.800 -0.047 0.000 2.421 1343 Q HA 0.507 4.847 4.340 -0.000 0.000 0.280 1343 Q C -1.577 174.409 176.000 -0.023 0.000 1.085 1343 Q CA -0.994 54.790 55.803 -0.031 0.000 0.807 1343 Q CB 2.084 30.802 28.738 -0.032 0.000 1.405 1343 Q HN 0.115 nan 8.270 nan 0.000 0.419 1344 V N 3.756 123.663 119.914 -0.012 0.000 2.348 1344 V HA 0.396 4.516 4.120 -0.000 0.000 0.270 1344 V C -0.399 175.693 176.094 -0.004 0.000 1.037 1344 V CA -0.345 61.953 62.300 -0.004 0.000 0.872 1344 V CB 0.835 32.660 31.823 0.004 0.000 1.002 1344 V HN 0.653 nan 8.190 nan 0.000 0.464 1345 K N 2.491 122.888 120.400 -0.006 0.000 2.221 1345 K HA 0.608 4.927 4.320 -0.000 0.000 0.243 1345 K C 0.125 176.722 176.600 -0.004 0.000 0.968 1345 K CA -0.539 55.744 56.287 -0.006 0.000 0.846 1345 K CB 2.139 34.633 32.500 -0.010 0.000 1.141 1345 K HN 0.592 nan 8.250 nan 0.000 0.434 1346 S N 0.647 116.345 115.700 -0.004 0.000 2.617 1346 S HA 0.138 4.607 4.470 -0.000 0.000 0.259 1346 S C 1.438 176.025 174.600 -0.020 0.000 1.301 1346 S CA -0.595 57.601 58.200 -0.007 0.000 0.984 1346 S CB 0.315 63.513 63.200 -0.004 0.000 0.954 1346 S HN 0.500 nan 8.310 nan 0.000 0.572 1347 I N 1.977 122.528 120.570 -0.030 0.000 2.333 1347 I HA -0.035 4.135 4.170 -0.000 0.000 0.246 1347 I C 2.648 178.734 176.117 -0.052 0.000 1.106 1347 I CA 1.129 62.390 61.300 -0.065 0.000 1.411 1347 I CB -1.185 36.765 38.000 -0.083 0.000 1.082 1347 I HN 0.777 nan 8.210 nan 0.000 0.420 1348 R N 1.099 121.585 120.500 -0.024 0.000 2.066 1348 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 1348 R C 2.350 178.653 176.300 0.005 0.000 1.131 1348 R CA 1.056 57.153 56.100 -0.005 0.000 0.955 1348 R CB -0.150 30.152 30.300 0.004 0.000 0.851 1348 R HN 0.156 nan 8.270 nan 0.000 0.432 1349 R N 0.917 121.419 120.500 0.003 0.000 2.094 1349 R HA -0.136 4.203 4.340 -0.000 0.000 0.239 1349 R C 2.379 178.691 176.300 0.020 0.000 1.137 1349 R CA 1.725 57.831 56.100 0.011 0.000 0.943 1349 R CB -0.896 29.407 30.300 0.004 0.000 0.850 1349 R HN 0.397 nan 8.270 nan 0.000 0.433 1350 I N 0.895 121.468 120.570 0.006 0.000 2.208 1350 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 1350 I C 2.403 178.554 176.117 0.057 0.000 1.097 1350 I CA 1.180 62.489 61.300 0.015 0.000 1.363 1350 I CB -0.249 37.731 38.000 -0.033 0.000 1.051 1350 I HN 0.143 nan 8.210 nan 0.000 0.413 1351 L N -0.008 121.230 121.223 0.025 0.000 2.056 1351 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 1351 L C 2.573 179.531 176.870 0.146 0.000 1.078 1351 L CA 1.317 56.199 54.840 0.069 0.000 0.749 1351 L CB -0.526 41.536 42.059 0.006 0.000 0.901 1351 L HN 0.297 nan 8.230 nan 0.000 0.433 1352 L N -0.109 121.167 121.223 0.088 0.000 1.989 1352 L HA -0.278 4.062 4.340 -0.000 0.000 0.211 1352 L C 2.598 179.522 176.870 0.089 0.000 1.071 1352 L CA 1.804 56.690 54.840 0.077 0.000 0.749 1352 L CB -0.541 41.545 42.059 0.044 0.000 0.890 1352 L HN 0.372 nan 8.230 nan 0.000 0.431 1353 E N -0.646 119.607 120.200 0.089 0.000 2.150 1353 E HA -0.274 4.076 4.350 -0.000 0.000 0.193 1353 E C 2.108 178.772 176.600 0.107 0.000 0.985 1353 E CA 1.175 57.619 56.400 0.073 0.000 0.814 1353 E CB -0.204 29.530 29.700 0.057 0.000 0.752 1353 E HN 0.450 nan 8.360 nan 0.000 0.466 1354 W N 1.126 122.415 121.300 -0.018 0.000 2.354 1354 W HA -0.125 4.535 4.660 -0.000 0.000 0.315 1354 W C 1.788 178.298 176.519 -0.014 0.000 1.206 1354 W CA 1.739 59.075 57.345 -0.015 0.000 1.290 1354 W CB -0.311 29.135 29.460 -0.023 0.000 1.152 1354 W HN 0.032 nan 8.180 nan 0.000 0.489 1355 I N 0.970 121.624 120.570 0.140 0.000 2.248 1355 I HA -0.334 3.836 4.170 -0.000 0.000 0.248 1355 I C 2.226 178.245 176.117 -0.163 0.000 1.107 1355 I CA 1.506 62.776 61.300 -0.050 0.000 1.373 1355 I CB -0.597 37.457 38.000 0.089 0.000 1.055 1355 I HN -0.034 nan 8.210 nan 0.000 0.418 1356 E N 0.393 120.534 120.200 -0.099 0.000 2.204 1356 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 1356 E C 2.196 178.696 176.600 -0.167 0.000 0.990 1356 E CA 1.011 57.349 56.400 -0.102 0.000 0.821 1356 E CB -0.101 29.569 29.700 -0.050 0.000 0.750 1356 E HN 0.514 nan 8.360 nan 0.000 0.477 1357 I N 0.066 120.479 120.570 -0.263 0.000 2.584 1357 I HA -0.133 4.037 4.170 -0.000 0.000 0.255 1357 I C 2.249 178.097 176.117 -0.448 0.000 1.145 1357 I CA 0.447 61.558 61.300 -0.315 0.000 1.462 1357 I CB 0.047 37.871 38.000 -0.293 0.000 1.102 1357 I HN 0.005 nan 8.210 nan 0.000 0.433 1358 R N 1.647 121.738 120.500 -0.682 0.000 2.093 1358 R HA -0.078 4.262 4.340 -0.000 0.000 0.224 1358 R C 2.045 178.153 176.300 -0.320 0.000 1.101 1358 R CA 1.415 57.133 56.100 -0.636 0.000 0.979 1358 R CB -0.215 29.490 30.300 -0.991 0.000 0.877 1358 R HN 0.126 nan 8.270 nan 0.000 0.441 1359 K N 0.230 120.481 120.400 -0.249 0.000 2.032 1359 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 1359 K C 1.968 178.496 176.600 -0.119 0.000 1.048 1359 K CA 1.884 58.086 56.287 -0.142 0.000 0.927 1359 K CB -0.159 32.278 32.500 -0.104 0.000 0.712 1359 K HN 0.100 nan 8.250 nan 0.000 0.441 1360 K N 0.364 120.684 120.400 -0.134 0.000 2.211 1360 K HA -0.094 4.226 4.320 -0.000 0.000 0.203 1360 K C 1.693 178.236 176.600 -0.095 0.000 1.050 1360 K CA 1.388 57.616 56.287 -0.098 0.000 0.945 1360 K CB 0.145 32.588 32.500 -0.094 0.000 0.732 1360 K HN 0.072 nan 8.250 nan 0.000 0.451 1361 T N 0.541 115.016 114.554 -0.132 0.000 2.668 1361 T HA -0.094 4.256 4.350 -0.000 0.000 0.258 1361 T C 1.824 176.482 174.700 -0.070 0.000 1.051 1361 T CA 1.427 63.460 62.100 -0.112 0.000 1.155 1361 T CB -0.250 68.527 68.868 -0.152 0.000 0.864 1361 T HN -0.029 nan 8.240 nan 0.000 0.413 1362 V N 1.966 121.836 119.914 -0.074 0.000 2.439 1362 V HA -0.258 3.861 4.120 -0.000 0.000 0.253 1362 V C 2.656 178.748 176.094 -0.004 0.000 1.074 1362 V CA 2.115 64.397 62.300 -0.030 0.000 1.076 1362 V CB -1.446 30.354 31.823 -0.038 0.000 0.664 1362 V HN 0.560 nan 8.190 nan 0.000 0.461 1363 T N 0.119 114.661 114.554 -0.021 0.000 2.545 1363 T HA -0.188 4.162 4.350 -0.000 0.000 0.261 1363 T C 2.018 176.726 174.700 0.014 0.000 1.097 1363 T CA 1.671 63.769 62.100 -0.005 0.000 1.189 1363 T CB -0.323 68.532 68.868 -0.021 0.000 0.863 1363 T HN 0.413 nan 8.240 nan 0.000 0.405 1364 R N 0.976 121.476 120.500 0.000 0.000 2.196 1364 R HA -0.216 4.124 4.340 -0.000 0.000 0.259 1364 R C 2.474 178.804 176.300 0.049 0.000 1.154 1364 R CA 1.696 57.805 56.100 0.015 0.000 0.976 1364 R CB -0.672 29.624 30.300 -0.007 0.000 0.888 1364 R HN 0.411 nan 8.270 nan 0.000 0.453 1365 R N 0.861 121.388 120.500 0.045 0.000 2.062 1365 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 1365 R C 2.584 179.010 176.300 0.210 0.000 1.136 1365 R CA 1.142 57.296 56.100 0.089 0.000 0.948 1365 R CB -0.210 30.142 30.300 0.086 0.000 0.845 1365 R HN 0.165 nan 8.270 nan 0.000 0.430 1366 L N 0.848 122.172 121.223 0.168 0.000 2.046 1366 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 1366 L C 2.713 179.661 176.870 0.130 0.000 1.077 1366 L CA 1.473 56.416 54.840 0.171 0.000 0.747 1366 L CB -0.487 41.625 42.059 0.089 0.000 0.896 1366 L HN 0.310 nan 8.230 nan 0.000 0.432 1367 Q N -0.860 118.992 119.800 0.086 0.000 2.062 1367 Q HA -0.312 4.027 4.340 -0.000 0.000 0.209 1367 Q C 2.138 178.173 176.000 0.058 0.000 0.996 1367 Q CA 2.457 58.293 55.803 0.055 0.000 0.859 1367 Q CB -0.663 28.100 28.738 0.042 0.000 0.920 1367 Q HN 0.474 nan 8.270 nan 0.000 0.415 1368 Y N 1.331 121.597 120.300 -0.056 0.000 2.014 1368 Y HA -0.359 4.191 4.550 -0.000 0.000 0.272 1368 Y C 2.410 178.228 175.900 -0.137 0.000 1.164 1368 Y CA 2.224 60.245 58.100 -0.132 0.000 1.114 1368 Y CB -0.540 37.783 38.460 -0.228 0.000 0.961 1368 Y HN 0.234 nan 8.280 nan 0.000 0.489 1369 H N -0.400 118.714 119.070 0.073 0.000 2.289 1369 H HA -0.214 4.342 4.556 -0.000 0.000 0.296 1369 H C 2.309 177.575 175.328 -0.104 0.000 1.091 1369 H CA 1.911 57.934 56.048 -0.041 0.000 1.274 1369 H CB -0.869 28.940 29.762 0.078 0.000 1.364 1369 H HN 0.456 nan 8.280 nan 0.000 0.490 1370 L N 1.669 122.932 121.223 0.067 0.000 1.956 1370 L HA -0.213 4.127 4.340 -0.000 0.000 0.216 1370 L C 1.744 178.580 176.870 -0.056 0.000 1.073 1370 L CA 1.765 56.608 54.840 0.005 0.000 0.762 1370 L CB -0.793 41.273 42.059 0.011 0.000 0.889 1370 L HN 0.102 nan 8.230 nan 0.000 0.433 1371 N N -0.315 118.334 118.700 -0.085 0.000 2.659 1371 N HA -0.167 4.573 4.740 -0.000 0.000 0.194 1371 N C 1.742 177.158 175.510 -0.156 0.000 1.140 1371 N CA 0.830 53.814 53.050 -0.110 0.000 0.936 1371 N CB -0.218 38.207 38.487 -0.103 0.000 0.970 1371 N HN 0.496 nan 8.380 nan 0.000 0.449 1372 R N -0.087 120.294 120.500 -0.198 0.000 2.072 1372 R HA 0.274 4.614 4.340 -0.000 0.000 0.214 1372 R C 2.148 178.393 176.300 -0.092 0.000 1.168 1372 R CA 0.064 56.054 56.100 -0.183 0.000 1.020 1372 R CB -0.063 30.074 30.300 -0.271 0.000 0.914 1372 R HN 0.095 nan 8.270 nan 0.000 0.449 1373 I N 1.432 121.963 120.570 -0.065 0.000 2.229 1373 I HA -0.355 3.814 4.170 -0.000 0.000 0.250 1373 I C 1.860 177.961 176.117 -0.026 0.000 1.096 1373 I CA 1.588 62.869 61.300 -0.032 0.000 1.358 1373 I CB -0.341 37.649 38.000 -0.017 0.000 1.047 1373 I HN 0.308 nan 8.210 nan 0.000 0.422 1374 E N 1.087 121.266 120.200 -0.034 0.000 1.998 1374 E HA -0.219 4.130 4.350 -0.000 0.000 0.195 1374 E C 2.571 179.170 176.600 -0.002 0.000 0.994 1374 E CA 1.539 57.924 56.400 -0.024 0.000 0.835 1374 E CB -0.344 29.328 29.700 -0.046 0.000 0.786 1374 E HN 0.435 nan 8.360 nan 0.000 0.467 1375 K N 1.405 121.789 120.400 -0.026 0.000 2.259 1375 K HA -0.277 4.042 4.320 -0.000 0.000 0.206 1375 K C 1.880 178.514 176.600 0.058 0.000 1.044 1375 K CA 2.228 58.519 56.287 0.006 0.000 0.931 1375 K CB -0.733 31.748 32.500 -0.032 0.000 0.726 1375 K HN 0.022 nan 8.250 nan 0.000 0.467 1376 R N -0.206 120.305 120.500 0.018 0.000 2.066 1376 R HA 0.246 4.586 4.340 -0.000 0.000 0.224 1376 R C 2.260 178.570 176.300 0.018 0.000 1.122 1376 R CA 1.088 57.194 56.100 0.010 0.000 0.974 1376 R CB -0.512 29.779 30.300 -0.015 0.000 0.871 1376 R HN 0.395 nan 8.270 nan 0.000 0.435 1377 L N 0.393 121.627 121.223 0.019 0.000 2.127 1377 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 1377 L C 2.341 179.238 176.870 0.046 0.000 1.089 1377 L CA 1.779 56.628 54.840 0.014 0.000 0.757 1377 L CB -0.577 41.487 42.059 0.008 0.000 0.899 1377 L HN 0.424 nan 8.230 nan 0.000 0.434 1378 H N 0.134 119.186 119.070 -0.031 0.000 2.289 1378 H HA -0.217 4.339 4.556 -0.000 0.000 0.296 1378 H C 2.115 177.430 175.328 -0.022 0.000 1.091 1378 H CA 2.035 58.068 56.048 -0.024 0.000 1.274 1378 H CB 0.064 29.812 29.762 -0.024 0.000 1.364 1378 H HN 0.058 nan 8.280 nan 0.000 0.490 1379 I N 0.340 120.868 120.570 -0.069 0.000 2.179 1379 I HA -0.251 3.918 4.170 -0.000 0.000 0.242 1379 I C 2.651 178.703 176.117 -0.108 0.000 1.088 1379 I CA 1.022 62.248 61.300 -0.123 0.000 1.357 1379 I CB -1.276 36.697 38.000 -0.045 0.000 1.051 1379 I HN 0.335 nan 8.210 nan 0.000 0.409 1380 L N 0.597 121.779 121.223 -0.069 0.000 1.978 1380 L HA -0.299 4.041 4.340 -0.000 0.000 0.218 1380 L C 2.852 179.679 176.870 -0.071 0.000 1.075 1380 L CA 1.815 56.615 54.840 -0.066 0.000 0.767 1380 L CB -0.980 41.045 42.059 -0.057 0.000 0.890 1380 L HN 0.243 nan 8.230 nan 0.000 0.434 1381 A N 0.582 123.359 122.820 -0.072 0.000 1.879 1381 A HA -0.329 3.990 4.320 -0.000 0.000 0.222 1381 A C 2.361 179.893 177.584 -0.086 0.000 1.368 1381 A CA 2.725 54.721 52.037 -0.070 0.000 0.707 1381 A CB -1.735 17.226 19.000 -0.066 0.000 0.846 1381 A HN 0.513 nan 8.150 nan 0.000 0.468 1382 G N -0.989 107.722 108.800 -0.150 0.000 2.440 1382 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 1382 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 1382 G C 1.565 176.403 174.900 -0.104 0.000 1.154 1382 G CA 1.120 46.135 45.100 -0.141 0.000 0.767 1382 G HN 0.460 nan 8.290 nan 0.000 0.552 1383 L N 0.661 121.842 121.223 -0.070 0.000 1.933 1383 L HA -0.120 4.219 4.340 -0.000 0.000 0.220 1383 L C 2.831 179.765 176.870 0.107 0.000 1.078 1383 L CA 1.698 56.545 54.840 0.011 0.000 0.773 1383 L CB -0.626 41.457 42.059 0.040 0.000 0.890 1383 L HN 0.364 nan 8.230 nan 0.000 0.434 1384 L N -1.983 119.286 121.223 0.078 0.000 2.642 1384 L HA -0.135 4.204 4.340 -0.000 0.000 0.236 1384 L C 2.147 179.068 176.870 0.084 0.000 1.169 1384 L CA 0.866 55.770 54.840 0.106 0.000 0.851 1384 L CB -0.679 41.351 42.059 -0.049 0.000 0.968 1384 L HN 0.287 nan 8.230 nan 0.000 0.453 1385 I N 1.142 121.722 120.570 0.017 0.000 2.286 1385 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 1385 I C 2.948 179.019 176.117 -0.077 0.000 1.104 1385 I CA 1.136 62.433 61.300 -0.006 0.000 1.397 1385 I CB -0.261 37.719 38.000 -0.032 0.000 1.072 1385 I HN 0.397 nan 8.210 nan 0.000 0.417 1386 A N -0.069 122.627 122.820 -0.206 0.000 1.930 1386 A HA -0.217 4.102 4.320 -0.000 0.000 0.217 1386 A C 2.101 179.594 177.584 -0.152 0.000 1.175 1386 A CA 1.223 53.049 52.037 -0.352 0.000 0.627 1386 A CB -0.982 17.770 19.000 -0.414 0.000 0.815 1386 A HN 0.395 nan 8.150 nan 0.000 0.443 1387 Y N 0.528 120.775 120.300 -0.088 0.000 2.384 1387 Y HA -0.184 4.365 4.550 -0.000 0.000 0.289 1387 Y C 1.999 177.897 175.900 -0.004 0.000 1.152 1387 Y CA 1.347 59.425 58.100 -0.037 0.000 1.258 1387 Y CB -0.404 38.036 38.460 -0.033 0.000 0.979 1387 Y HN 0.255 nan 8.280 nan 0.000 0.549 1388 L N -0.819 120.487 121.223 0.139 0.000 1.925 1388 L HA -0.165 4.175 4.340 -0.000 0.000 0.214 1388 L C 1.123 178.058 176.870 0.108 0.000 1.091 1388 L CA 1.241 56.151 54.840 0.117 0.000 0.768 1388 L CB -0.593 41.538 42.059 0.119 0.000 0.887 1388 L HN -0.061 nan 8.230 nan 0.000 0.433 1389 D N 0.730 121.227 120.400 0.160 0.000 2.619 1389 D HA 0.042 4.682 4.640 -0.000 0.000 0.224 1389 D C 1.084 177.467 176.300 0.139 0.000 1.133 1389 D CA 0.049 54.171 54.000 0.203 0.000 1.017 1389 D CB 0.361 41.392 40.800 0.385 0.000 1.077 1389 D HN 0.188 nan 8.370 nan 0.000 0.503 1390 I N 0.805 121.389 120.570 0.024 0.000 2.439 1390 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 1390 I C 0.760 176.863 176.117 -0.024 0.000 1.139 1390 I CA 1.075 62.333 61.300 -0.072 0.000 1.438 1390 I CB 0.192 38.099 38.000 -0.156 0.000 1.085 1390 I HN 0.053 nan 8.210 nan 0.000 0.427 1391 D N 0.803 121.211 120.400 0.013 0.000 2.097 1391 D HA -0.150 4.490 4.640 -0.000 0.000 0.195 1391 D C 2.094 178.404 176.300 0.017 0.000 0.989 1391 D CA 1.789 55.794 54.000 0.008 0.000 0.827 1391 D CB -0.336 40.472 40.800 0.013 0.000 0.966 1391 D HN 0.297 nan 8.370 nan 0.000 0.456 1392 T N 0.803 115.390 114.554 0.054 0.000 2.720 1392 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 1392 T C 2.232 176.957 174.700 0.041 0.000 1.037 1392 T CA 0.849 62.957 62.100 0.014 0.000 1.144 1392 T CB -0.302 68.564 68.868 -0.003 0.000 0.864 1392 T HN -0.025 nan 8.240 nan 0.000 0.444 1393 V N 1.508 121.505 119.914 0.137 0.000 2.332 1393 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 1393 V C 2.346 178.444 176.094 0.006 0.000 1.055 1393 V CA 1.591 63.942 62.300 0.085 0.000 1.038 1393 V CB -0.667 31.125 31.823 -0.051 0.000 0.651 1393 V HN 0.528 nan 8.190 nan 0.000 0.450 1394 I N 0.044 120.604 120.570 -0.017 0.000 2.252 1394 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 1394 I C 3.091 179.193 176.117 -0.025 0.000 1.102 1394 I CA 1.579 62.862 61.300 -0.029 0.000 1.385 1394 I CB -0.872 37.107 38.000 -0.034 0.000 1.064 1394 I HN 0.324 nan 8.210 nan 0.000 0.414 1395 R N 1.412 121.896 120.500 -0.026 0.000 2.103 1395 R HA -0.210 4.130 4.340 -0.000 0.000 0.234 1395 R C 2.483 178.759 176.300 -0.040 0.000 1.132 1395 R CA 2.688 58.767 56.100 -0.036 0.000 0.925 1395 R CB -2.172 28.099 30.300 -0.048 0.000 0.842 1395 R HN 0.414 nan 8.270 nan 0.000 0.430 1396 I N 0.682 121.221 120.570 -0.051 0.000 2.236 1396 I HA -0.133 4.037 4.170 -0.000 0.000 0.249 1396 I C 2.759 178.863 176.117 -0.022 0.000 1.102 1396 I CA 2.472 63.743 61.300 -0.048 0.000 1.365 1396 I CB -1.017 36.955 38.000 -0.047 0.000 1.051 1396 I HN 0.549 nan 8.210 nan 0.000 0.420 1397 I N -0.959 119.602 120.570 -0.015 0.000 2.142 1397 I HA -0.263 3.907 4.170 -0.000 0.000 0.240 1397 I C 2.868 178.975 176.117 -0.016 0.000 1.078 1397 I CA 1.937 63.228 61.300 -0.013 0.000 1.343 1397 I CB -0.411 37.578 38.000 -0.018 0.000 1.046 1397 I HN 0.346 nan 8.210 nan 0.000 0.405 1398 R N 0.230 120.718 120.500 -0.019 0.000 2.189 1398 R HA -0.080 4.260 4.340 -0.000 0.000 0.218 1398 R C 1.942 178.231 176.300 -0.017 0.000 1.074 1398 R CA 0.738 56.827 56.100 -0.018 0.000 0.991 1398 R CB 0.078 30.367 30.300 -0.019 0.000 0.883 1398 R HN 0.308 nan 8.270 nan 0.000 0.457 1399 E N 0.050 120.238 120.200 -0.020 0.000 2.318 1399 E HA 0.039 4.389 4.350 -0.000 0.000 0.193 1399 E C -0.005 176.586 176.600 -0.016 0.000 0.998 1399 E CA 0.628 57.017 56.400 -0.020 0.000 0.859 1399 E CB 0.435 30.119 29.700 -0.027 0.000 0.812 1399 E HN 0.176 nan 8.360 nan 0.000 0.492 1400 E N -0.276 119.916 120.200 -0.014 0.000 2.256 1400 E HA 0.249 4.599 4.350 -0.000 0.000 0.267 1400 E C 0.407 177.003 176.600 -0.006 0.000 0.892 1400 E CA 0.239 56.633 56.400 -0.009 0.000 0.775 1400 E CB 1.458 31.153 29.700 -0.008 0.000 1.207 1400 E HN 0.075 nan 8.360 nan 0.000 0.420 1401 D N 1.916 122.313 120.400 -0.005 0.000 2.083 1401 D HA -0.100 4.539 4.640 -0.000 0.000 0.199 1401 D C 0.883 177.182 176.300 -0.002 0.000 0.980 1401 D CA 1.900 55.898 54.000 -0.003 0.000 0.851 1401 D CB -0.369 40.429 40.800 -0.003 0.000 0.997 1401 D HN 0.429 nan 8.370 nan 0.000 0.449 1402 Q N 0.796 120.596 119.800 0.001 0.000 2.406 1402 Q HA 0.522 4.862 4.340 -0.000 0.000 0.242 1402 Q C -2.118 173.887 176.000 0.007 0.000 1.036 1402 Q CA -1.032 54.773 55.803 0.004 0.000 0.904 1402 Q CB 0.892 29.633 28.738 0.005 0.000 1.244 1402 Q HN 0.509 nan 8.270 nan 0.000 0.478 1403 P HA 0.092 nan 4.420 nan 0.000 0.251 1403 P C 1.371 178.685 177.300 0.024 0.000 1.223 1403 P CA 0.962 64.069 63.100 0.012 0.000 0.796 1403 P CB 0.512 32.215 31.700 0.005 0.000 1.068 1404 K N 0.930 121.343 120.400 0.021 0.000 2.025 1404 K HA -0.022 4.297 4.320 -0.000 0.000 0.207 1404 K C -0.288 176.336 176.600 0.041 0.000 1.049 1404 K CA 1.788 58.092 56.287 0.028 0.000 0.933 1404 K CB -2.587 29.924 32.500 0.018 0.000 0.714 1404 K HN 0.282 nan 8.250 nan 0.000 0.438 1405 P HA 0.003 nan 4.420 nan 0.000 0.225 1405 P C 1.359 178.690 177.300 0.051 0.000 1.156 1405 P CA 0.267 63.391 63.100 0.039 0.000 0.787 1405 P CB 0.241 31.957 31.700 0.026 0.000 0.802 1406 V N -0.158 119.786 119.914 0.050 0.000 2.307 1406 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 1406 V C 2.379 178.540 176.094 0.112 0.000 1.045 1406 V CA 1.597 63.931 62.300 0.057 0.000 1.024 1406 V CB -1.130 30.710 31.823 0.027 0.000 0.651 1406 V HN 0.069 nan 8.190 nan 0.000 0.449 1407 L N -1.148 120.157 121.223 0.137 0.000 2.191 1407 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 1407 L C 2.447 179.479 176.870 0.271 0.000 1.103 1407 L CA 1.500 56.495 54.840 0.257 0.000 0.769 1407 L CB -0.362 41.798 42.059 0.169 0.000 0.908 1407 L HN 0.348 nan 8.230 nan 0.000 0.438 1408 M N -1.202 118.490 119.600 0.153 0.000 2.160 1408 M HA -0.151 4.328 4.480 -0.000 0.000 0.264 1408 M C 2.099 178.466 176.300 0.111 0.000 1.073 1408 M CA 1.527 56.901 55.300 0.122 0.000 1.142 1408 M CB -0.322 32.323 32.600 0.075 0.000 1.358 1408 M HN 0.161 nan 8.290 nan 0.000 0.422 1409 E N -0.611 119.642 120.200 0.088 0.000 2.106 1409 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 1409 E C 1.845 178.461 176.600 0.026 0.000 0.984 1409 E CA 1.318 57.748 56.400 0.050 0.000 0.806 1409 E CB -0.144 29.579 29.700 0.037 0.000 0.750 1409 E HN 0.538 nan 8.360 nan 0.000 0.458 1410 H N -0.942 118.092 119.070 -0.059 0.000 2.363 1410 H HA -0.055 4.500 4.556 -0.000 0.000 0.301 1410 H C 1.177 176.296 175.328 -0.349 0.000 1.074 1410 H CA 1.484 57.383 56.048 -0.249 0.000 1.354 1410 H CB 0.128 29.650 29.762 -0.400 0.000 1.397 1410 H HN 0.037 nan 8.280 nan 0.000 0.516 1411 F N -0.633 119.368 119.950 0.085 0.000 2.695 1411 F HA 0.179 4.706 4.527 -0.000 0.000 0.303 1411 F C 0.733 176.532 175.800 -0.000 0.000 1.091 1411 F CA 0.129 58.150 58.000 0.034 0.000 1.300 1411 F CB 0.074 39.118 39.000 0.073 0.000 1.071 1411 F HN 0.078 nan 8.300 nan 0.000 0.578 1412 N N 1.342 120.123 118.700 0.135 0.000 2.681 1412 N HA -0.234 4.506 4.740 -0.000 0.000 0.259 1412 N C -0.906 174.666 175.510 0.103 0.000 1.066 1412 N CA 0.899 54.001 53.050 0.088 0.000 0.717 1412 N CB -1.190 37.325 38.487 0.046 0.000 0.885 1412 N HN 0.294 nan 8.380 nan 0.000 0.547 1413 I N -0.829 119.810 120.570 0.116 0.000 2.689 1413 I HA 0.683 4.853 4.170 -0.000 0.000 0.299 1413 I C 0.494 176.651 176.117 0.067 0.000 1.059 1413 I CA -0.506 60.837 61.300 0.073 0.000 1.055 1413 I CB 1.532 39.560 38.000 0.048 0.000 1.243 1413 I HN 0.370 nan 8.210 nan 0.000 0.425 1414 D N 3.408 123.846 120.400 0.062 0.000 2.478 1414 D HA 0.512 5.152 4.640 -0.000 0.000 0.274 1414 D C 1.214 177.546 176.300 0.054 0.000 1.234 1414 D CA 0.575 54.617 54.000 0.070 0.000 1.069 1414 D CB 0.188 41.050 40.800 0.103 0.000 1.113 1414 D HN 0.900 nan 8.370 nan 0.000 0.571 1415 E N -0.394 119.836 120.200 0.050 0.000 2.085 1415 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 1415 E C 2.056 178.676 176.600 0.033 0.000 0.994 1415 E CA 2.023 58.445 56.400 0.036 0.000 0.801 1415 E CB -1.047 28.670 29.700 0.029 0.000 0.743 1415 E HN 0.544 nan 8.360 nan 0.000 0.453 1416 I N 0.661 121.261 120.570 0.051 0.000 2.439 1416 I HA -0.118 4.052 4.170 -0.000 0.000 0.251 1416 I C 2.654 178.781 176.117 0.017 0.000 1.139 1416 I CA 1.313 62.642 61.300 0.048 0.000 1.438 1416 I CB -0.095 37.961 38.000 0.093 0.000 1.085 1416 I HN 0.258 nan 8.210 nan 0.000 0.427 1417 Q N 0.369 120.162 119.800 -0.011 0.000 2.163 1417 Q HA 0.050 4.390 4.340 -0.000 0.000 0.198 1417 Q C 2.494 178.464 176.000 -0.050 0.000 0.954 1417 Q CA 1.170 56.928 55.803 -0.074 0.000 0.851 1417 Q CB -0.314 28.335 28.738 -0.148 0.000 0.928 1417 Q HN 0.534 nan 8.270 nan 0.000 0.459 1418 A N 1.152 123.960 122.820 -0.019 0.000 1.927 1418 A HA -0.310 4.010 4.320 -0.000 0.000 0.220 1418 A C 1.945 179.519 177.584 -0.016 0.000 1.185 1418 A CA 2.024 54.055 52.037 -0.009 0.000 0.639 1418 A CB -0.449 18.561 19.000 0.018 0.000 0.820 1418 A HN 0.310 nan 8.150 nan 0.000 0.451 1419 E N -0.497 119.697 120.200 -0.009 0.000 2.112 1419 E HA 0.103 4.452 4.350 -0.000 0.000 0.190 1419 E C 2.082 178.675 176.600 -0.010 0.000 0.979 1419 E CA 1.129 57.525 56.400 -0.007 0.000 0.814 1419 E CB -0.391 29.309 29.700 -0.000 0.000 0.762 1419 E HN 0.485 nan 8.360 nan 0.000 0.460 1420 A N 0.630 123.440 122.820 -0.016 0.000 1.948 1420 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 1420 A C 2.182 179.759 177.584 -0.013 0.000 1.177 1420 A CA 1.590 53.619 52.037 -0.013 0.000 0.636 1420 A CB -0.714 18.270 19.000 -0.026 0.000 0.815 1420 A HN 0.351 nan 8.150 nan 0.000 0.449 1421 I N -1.006 119.542 120.570 -0.036 0.000 2.233 1421 I HA -0.180 3.990 4.170 -0.000 0.000 0.243 1421 I C 2.154 178.248 176.117 -0.039 0.000 1.093 1421 I CA 0.922 62.190 61.300 -0.054 0.000 1.380 1421 I CB -0.444 37.490 38.000 -0.110 0.000 1.067 1421 I HN 0.203 nan 8.210 nan 0.000 0.413 1422 L N 0.456 121.661 121.223 -0.031 0.000 2.349 1422 L HA -0.169 4.170 4.340 -0.000 0.000 0.220 1422 L C 1.145 178.008 176.870 -0.011 0.000 1.130 1422 L CA 1.055 55.882 54.840 -0.022 0.000 0.791 1422 L CB -0.262 41.788 42.059 -0.014 0.000 0.918 1422 L HN 0.180 nan 8.230 nan 0.000 0.444 1423 E N -0.172 120.028 120.200 -0.000 0.000 2.723 1423 E HA 0.202 4.552 4.350 -0.000 0.000 0.219 1423 E C -0.896 175.732 176.600 0.046 0.000 1.060 1423 E CA -0.157 56.252 56.400 0.014 0.000 1.291 1423 E CB 0.403 30.111 29.700 0.015 0.000 1.265 1423 E HN -0.032 nan 8.360 nan 0.000 0.438 1424 L N 1.147 122.398 121.223 0.048 0.000 2.277 1424 L HA 0.446 4.786 4.340 -0.000 0.000 0.284 1424 L C -0.515 176.384 176.870 0.048 0.000 1.028 1424 L CA -0.735 54.186 54.840 0.136 0.000 0.835 1424 L CB 0.636 42.752 42.059 0.095 0.000 1.215 1424 L HN -0.176 nan 8.230 nan 0.000 0.425 1425 K N 2.988 123.348 120.400 -0.066 0.000 2.380 1425 K HA 0.130 4.450 4.320 -0.000 0.000 0.267 1425 K C 1.166 177.590 176.600 -0.294 0.000 0.990 1425 K CA 0.209 56.333 56.287 -0.273 0.000 0.946 1425 K CB 0.573 32.814 32.500 -0.430 0.000 0.937 1425 K HN 0.647 nan 8.250 nan 0.000 0.491 1426 L N 2.399 123.515 121.223 -0.180 0.000 2.042 1426 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 1426 L C 2.307 179.114 176.870 -0.105 0.000 1.076 1426 L CA 1.738 56.511 54.840 -0.112 0.000 0.749 1426 L CB -0.395 41.617 42.059 -0.079 0.000 0.893 1426 L HN 0.704 nan 8.230 nan 0.000 0.432 1427 R N -0.885 119.517 120.500 -0.163 0.000 2.185 1427 R HA -0.247 4.093 4.340 -0.000 0.000 0.247 1427 R C 1.896 178.217 176.300 0.035 0.000 1.159 1427 R CA 1.787 57.834 56.100 -0.089 0.000 0.988 1427 R CB -0.817 29.415 30.300 -0.112 0.000 0.871 1427 R HN 0.434 nan 8.270 nan 0.000 0.458 1428 H N 1.130 120.230 119.070 0.050 0.000 2.428 1428 H HA 0.063 4.619 4.556 -0.000 0.000 0.296 1428 H C 2.085 177.521 175.328 0.181 0.000 1.062 1428 H CA 1.098 57.214 56.048 0.114 0.000 1.350 1428 H CB -0.187 29.654 29.762 0.131 0.000 1.403 1428 H HN 0.192 nan 8.280 nan 0.000 0.533 1429 L N 0.564 121.892 121.223 0.175 0.000 2.351 1429 L HA -0.073 4.267 4.340 -0.000 0.000 0.220 1429 L C 1.253 178.225 176.870 0.169 0.000 1.127 1429 L CA 0.302 55.193 54.840 0.085 0.000 0.786 1429 L CB -0.830 41.213 42.059 -0.026 0.000 0.914 1429 L HN 0.113 nan 8.230 nan 0.000 0.443 1430 A N 0.528 123.444 122.820 0.159 0.000 2.540 1430 A HA 0.253 4.572 4.320 -0.000 0.000 0.239 1430 A C 1.588 179.253 177.584 0.136 0.000 1.061 1430 A CA 0.775 52.883 52.037 0.119 0.000 0.758 1430 A CB 0.260 19.314 19.000 0.091 0.000 0.991 1430 A HN 0.337 nan 8.150 nan 0.000 0.502 1431 K N 2.394 122.849 120.400 0.093 0.000 2.152 1431 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 1431 K C 1.670 178.290 176.600 0.034 0.000 1.048 1431 K CA 1.951 58.281 56.287 0.072 0.000 0.933 1431 K CB -1.111 31.418 32.500 0.049 0.000 0.721 1431 K HN 0.713 nan 8.250 nan 0.000 0.447 1432 L N 0.309 121.550 121.223 0.031 0.000 1.943 1432 L HA -0.147 4.193 4.340 -0.000 0.000 0.215 1432 L C 3.253 180.116 176.870 -0.011 0.000 1.074 1432 L CA 1.980 56.825 54.840 0.008 0.000 0.759 1432 L CB -0.908 41.159 42.059 0.014 0.000 0.888 1432 L HN 0.605 nan 8.230 nan 0.000 0.433 1433 E N 0.135 120.346 120.200 0.017 0.000 2.501 1433 E HA -0.249 4.100 4.350 -0.000 0.000 0.203 1433 E C 1.751 178.278 176.600 -0.121 0.000 1.072 1433 E CA 1.386 57.780 56.400 -0.010 0.000 0.885 1433 E CB -0.735 29.013 29.700 0.081 0.000 0.813 1433 E HN 0.680 nan 8.360 nan 0.000 0.556 1434 E N -1.138 118.969 120.200 -0.155 0.000 2.022 1434 E HA 0.008 4.358 4.350 -0.000 0.000 0.190 1434 E C 2.490 178.905 176.600 -0.308 0.000 0.973 1434 E CA 1.148 57.280 56.400 -0.448 0.000 0.816 1434 E CB -0.220 29.306 29.700 -0.290 0.000 0.781 1434 E HN 0.489 nan 8.360 nan 0.000 0.456 1435 M N 0.778 120.283 119.600 -0.158 0.000 2.426 1435 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 1435 M C 2.086 178.339 176.300 -0.079 0.000 1.068 1435 M CA 2.768 58.009 55.300 -0.098 0.000 1.066 1435 M CB -2.210 30.359 32.600 -0.052 0.000 1.399 1435 M HN 0.470 nan 8.290 nan 0.000 0.449 1436 E N 0.908 121.051 120.200 -0.096 0.000 2.072 1436 E HA 0.052 4.401 4.350 -0.000 0.000 0.190 1436 E C 1.742 178.303 176.600 -0.065 0.000 0.982 1436 E CA 1.464 57.823 56.400 -0.068 0.000 0.803 1436 E CB -0.901 28.759 29.700 -0.068 0.000 0.755 1436 E HN 1.384 nan 8.360 nan 0.000 0.453 1437 I N -3.480 117.008 120.570 -0.137 0.000 3.686 1437 I HA 0.444 4.614 4.170 -0.000 0.000 0.308 1437 I C 2.230 178.275 176.117 -0.120 0.000 1.254 1437 I CA 0.801 62.020 61.300 -0.134 0.000 1.175 1437 I CB 0.305 38.188 38.000 -0.194 0.000 1.009 1437 I HN 0.197 nan 8.210 nan 0.000 0.459 1438 R N 0.263 120.709 120.500 -0.090 0.000 2.146 1438 R HA 0.046 4.386 4.340 -0.000 0.000 0.206 1438 R C 1.993 178.279 176.300 -0.024 0.000 1.049 1438 R CA 1.133 57.192 56.100 -0.068 0.000 1.029 1438 R CB -1.481 28.779 30.300 -0.067 0.000 0.949 1438 R HN 0.693 nan 8.270 nan 0.000 0.471 1439 H N 0.624 119.652 119.070 -0.071 0.000 2.363 1439 H HA 0.026 4.582 4.556 -0.000 0.000 0.301 1439 H C 2.067 177.365 175.328 -0.050 0.000 1.074 1439 H CA 1.730 57.746 56.048 -0.053 0.000 1.354 1439 H CB 0.105 29.838 29.762 -0.047 0.000 1.397 1439 H HN 0.622 nan 8.280 nan 0.000 0.516 1440 E N 0.023 120.250 120.200 0.045 0.000 2.273 1440 E HA -0.309 4.041 4.350 -0.000 0.000 0.198 1440 E C 2.114 178.663 176.600 -0.086 0.000 1.002 1440 E CA 1.250 57.644 56.400 -0.011 0.000 0.828 1440 E CB -0.041 29.655 29.700 -0.007 0.000 0.747 1440 E HN 0.696 nan 8.360 nan 0.000 0.491 1441 Q N 0.096 119.834 119.800 -0.102 0.000 2.137 1441 Q HA -0.147 4.193 4.340 -0.000 0.000 0.198 1441 Q C 1.342 177.260 176.000 -0.136 0.000 0.960 1441 Q CA 1.645 57.389 55.803 -0.098 0.000 0.847 1441 Q CB 0.159 28.849 28.738 -0.081 0.000 0.915 1441 Q HN 0.266 nan 8.270 nan 0.000 0.448 1442 D N 0.518 120.783 120.400 -0.224 0.000 2.088 1442 D HA -0.191 4.448 4.640 -0.000 0.000 0.191 1442 D C 1.637 177.795 176.300 -0.237 0.000 0.992 1442 D CA 1.714 55.553 54.000 -0.269 0.000 0.831 1442 D CB -0.153 40.376 40.800 -0.452 0.000 0.973 1442 D HN 0.341 nan 8.370 nan 0.000 0.447 1443 E N 0.439 120.454 120.200 -0.308 0.000 2.035 1443 E HA -0.206 4.143 4.350 -0.000 0.000 0.204 1443 E C 2.384 178.925 176.600 -0.098 0.000 1.025 1443 E CA 0.717 57.021 56.400 -0.161 0.000 0.835 1443 E CB -0.315 29.325 29.700 -0.099 0.000 0.764 1443 E HN 0.202 nan 8.360 nan 0.000 0.457 1444 L N 0.799 121.970 121.223 -0.086 0.000 2.010 1444 L HA -0.274 4.066 4.340 -0.000 0.000 0.219 1444 L C 2.560 179.400 176.870 -0.051 0.000 1.077 1444 L CA 1.586 56.392 54.840 -0.056 0.000 0.773 1444 L CB -0.748 41.282 42.059 -0.049 0.000 0.892 1444 L HN 0.158 nan 8.230 nan 0.000 0.436 1445 S N -1.036 114.627 115.700 -0.062 0.000 2.428 1445 S HA -0.024 4.446 4.470 -0.000 0.000 0.230 1445 S C 1.951 176.524 174.600 -0.045 0.000 1.014 1445 S CA 0.942 59.113 58.200 -0.049 0.000 0.957 1445 S CB 0.073 63.243 63.200 -0.050 0.000 0.784 1445 S HN 0.509 nan 8.310 nan 0.000 0.499 1446 A N 1.685 124.472 122.820 -0.055 0.000 1.874 1446 A HA 0.092 4.412 4.320 -0.000 0.000 0.214 1446 A C 2.214 179.776 177.584 -0.036 0.000 1.189 1446 A CA 1.737 53.747 52.037 -0.045 0.000 0.615 1446 A CB -1.118 17.851 19.000 -0.053 0.000 0.830 1446 A HN 0.471 nan 8.150 nan 0.000 0.443 1447 K N -0.177 120.200 120.400 -0.039 0.000 2.113 1447 K HA 0.012 4.332 4.320 -0.000 0.000 0.208 1447 K C 2.298 178.883 176.600 -0.025 0.000 1.047 1447 K CA 2.215 58.482 56.287 -0.033 0.000 0.928 1447 K CB -1.443 31.036 32.500 -0.034 0.000 0.716 1447 K HN 0.914 nan 8.250 nan 0.000 0.446 1448 A N 0.792 123.598 122.820 -0.023 0.000 1.898 1448 A HA 0.309 4.629 4.320 -0.000 0.000 0.216 1448 A C 2.817 180.392 177.584 -0.015 0.000 1.181 1448 A CA 1.974 54.001 52.037 -0.016 0.000 0.620 1448 A CB -0.848 18.141 19.000 -0.018 0.000 0.819 1448 A HN 0.906 nan 8.150 nan 0.000 0.442 1449 A N 0.525 123.334 122.820 -0.019 0.000 1.851 1449 A HA -0.150 4.169 4.320 -0.000 0.000 0.216 1449 A C 2.055 179.630 177.584 -0.014 0.000 1.195 1449 A CA 1.656 53.683 52.037 -0.016 0.000 0.622 1449 A CB -0.881 18.108 19.000 -0.019 0.000 0.831 1449 A HN 0.530 nan 8.150 nan 0.000 0.444 1450 I N -0.470 120.090 120.570 -0.017 0.000 2.300 1450 I HA -0.322 3.848 4.170 -0.000 0.000 0.252 1450 I C 2.308 178.418 176.117 -0.012 0.000 1.119 1450 I CA 1.475 62.766 61.300 -0.016 0.000 1.384 1450 I CB -0.445 37.543 38.000 -0.020 0.000 1.062 1450 I HN 0.350 nan 8.210 nan 0.000 0.426 1451 I N 0.771 121.336 120.570 -0.009 0.000 2.296 1451 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 1451 I C 2.777 178.895 176.117 0.002 0.000 1.087 1451 I CA 0.970 62.270 61.300 0.000 0.000 1.393 1451 I CB -0.252 37.754 38.000 0.011 0.000 1.093 1451 I HN 0.240 nan 8.210 nan 0.000 0.421 1452 R N 1.215 121.714 120.500 -0.001 0.000 2.237 1452 R HA -0.186 4.153 4.340 -0.000 0.000 0.219 1452 R C 1.812 178.109 176.300 -0.005 0.000 1.080 1452 R CA 1.450 57.548 56.100 -0.003 0.000 0.995 1452 R CB -0.547 29.749 30.300 -0.007 0.000 0.875 1452 R HN 0.423 nan 8.270 nan 0.000 0.462 1453 E N 1.965 122.162 120.200 -0.006 0.000 2.072 1453 E HA -0.196 4.154 4.350 -0.000 0.000 0.190 1453 E C 1.890 178.487 176.600 -0.006 0.000 0.982 1453 E CA 1.357 57.753 56.400 -0.007 0.000 0.803 1453 E CB -0.226 29.469 29.700 -0.008 0.000 0.755 1453 E HN 0.497 nan 8.360 nan 0.000 0.453 1454 Q N -0.070 119.727 119.800 -0.004 0.000 2.096 1454 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 1454 Q C 2.335 178.333 176.000 -0.003 0.000 0.982 1454 Q CA 1.706 57.507 55.803 -0.003 0.000 0.850 1454 Q CB -0.191 28.546 28.738 -0.001 0.000 0.901 1454 Q HN 0.307 nan 8.270 nan 0.000 0.422 1455 L N 0.381 121.603 121.223 -0.000 0.000 2.017 1455 L HA -0.198 4.141 4.340 -0.000 0.000 0.208 1455 L C 2.253 179.120 176.870 -0.005 0.000 1.073 1455 L CA 1.476 56.316 54.840 -0.001 0.000 0.745 1455 L CB -0.278 41.782 42.059 0.002 0.000 0.894 1455 L HN 0.120 nan 8.230 nan 0.000 0.432 1456 E N -0.366 119.831 120.200 -0.005 0.000 2.160 1456 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 1456 E C 0.595 177.191 176.600 -0.007 0.000 0.991 1456 E CA 0.716 57.112 56.400 -0.006 0.000 0.810 1456 E CB 0.058 29.754 29.700 -0.007 0.000 0.742 1456 E HN 0.190 nan 8.360 nan 0.000 0.466 1457 N N -0.589 118.107 118.700 -0.007 0.000 2.626 1457 N HA 0.141 4.881 4.740 -0.000 0.000 0.242 1457 N C -2.353 173.152 175.510 -0.007 0.000 1.005 1457 N CA -2.232 50.814 53.050 -0.007 0.000 0.905 1457 N CB 1.174 39.657 38.487 -0.006 0.000 1.128 1457 N HN -0.216 nan 8.380 nan 0.000 0.512 1458 P HA -0.193 nan 4.420 nan 0.000 0.219 1458 P C 0.803 178.098 177.300 -0.008 0.000 1.153 1458 P CA 1.306 64.400 63.100 -0.010 0.000 0.865 1458 P CB 0.519 32.214 31.700 -0.009 0.000 0.788 1459 E N -0.807 119.389 120.200 -0.006 0.000 2.216 1459 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 1459 E C 1.783 178.380 176.600 -0.005 0.000 0.988 1459 E CA 1.180 57.577 56.400 -0.005 0.000 0.834 1459 E CB -0.634 29.064 29.700 -0.003 0.000 0.772 1459 E HN 0.206 nan 8.360 nan 0.000 0.479 1460 S N -0.760 114.937 115.700 -0.006 0.000 2.603 1460 S HA 0.011 4.481 4.470 -0.000 0.000 0.220 1460 S C 1.628 176.224 174.600 -0.007 0.000 0.967 1460 S CA 0.087 58.283 58.200 -0.006 0.000 0.920 1460 S CB 0.033 63.230 63.200 -0.006 0.000 0.773 1460 S HN 0.229 nan 8.310 nan 0.000 0.529 1461 L N 1.581 122.799 121.223 -0.008 0.000 2.130 1461 L HA 0.337 4.677 4.340 -0.000 0.000 0.200 1461 L C 2.233 179.097 176.870 -0.010 0.000 1.075 1461 L CA 1.534 56.367 54.840 -0.010 0.000 0.768 1461 L CB -0.546 41.505 42.059 -0.014 0.000 0.933 1461 L HN 0.078 nan 8.230 nan 0.000 0.451 1462 K N -0.119 120.276 120.400 -0.009 0.000 2.113 1462 K HA -0.191 4.128 4.320 -0.000 0.000 0.208 1462 K C 1.793 178.392 176.600 -0.002 0.000 1.047 1462 K CA 1.632 57.915 56.287 -0.006 0.000 0.928 1462 K CB -0.403 32.095 32.500 -0.003 0.000 0.716 1462 K HN 0.369 nan 8.250 nan 0.000 0.446 1463 N N 1.038 119.736 118.700 -0.003 0.000 2.188 1463 N HA -0.135 4.605 4.740 -0.000 0.000 0.184 1463 N C 1.718 177.227 175.510 -0.003 0.000 1.018 1463 N CA 0.737 53.785 53.050 -0.003 0.000 0.858 1463 N CB -0.245 38.239 38.487 -0.004 0.000 0.989 1463 N HN 0.075 nan 8.380 nan 0.000 0.426 1464 L N 1.515 122.736 121.223 -0.004 0.000 1.976 1464 L HA -0.002 4.338 4.340 -0.000 0.000 0.209 1464 L C 1.963 178.833 176.870 0.001 0.000 1.071 1464 L CA 1.406 56.243 54.840 -0.003 0.000 0.746 1464 L CB -0.696 41.360 42.059 -0.005 0.000 0.890 1464 L HN 0.066 nan 8.230 nan 0.000 0.432 1465 I N -0.791 119.779 120.570 -0.000 0.000 2.286 1465 I HA -0.286 3.883 4.170 -0.000 0.000 0.248 1465 I C 2.374 178.507 176.117 0.026 0.000 1.115 1465 I CA 0.814 62.119 61.300 0.008 0.000 1.392 1465 I CB -0.456 37.539 38.000 -0.008 0.000 1.065 1465 I HN 0.258 nan 8.210 nan 0.000 0.418 1466 I N 1.031 121.611 120.570 0.017 0.000 2.286 1466 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 1466 I C 2.909 179.031 176.117 0.009 0.000 1.115 1466 I CA 1.984 63.292 61.300 0.014 0.000 1.392 1466 I CB -1.101 36.902 38.000 0.004 0.000 1.065 1466 I HN 0.355 nan 8.210 nan 0.000 0.418 1467 S N 0.540 116.243 115.700 0.006 0.000 2.383 1467 S HA -0.154 4.316 4.470 -0.000 0.000 0.227 1467 S C 1.706 176.311 174.600 0.008 0.000 1.026 1467 S CA 0.981 59.182 58.200 0.001 0.000 0.981 1467 S CB -0.360 62.838 63.200 -0.003 0.000 0.818 1467 S HN 0.519 nan 8.310 nan 0.000 0.472 1468 E N 0.714 120.925 120.200 0.018 0.000 2.285 1468 E HA 0.089 4.439 4.350 -0.000 0.000 0.194 1468 E C 1.983 178.613 176.600 0.050 0.000 0.997 1468 E CA 0.607 57.025 56.400 0.030 0.000 0.845 1468 E CB -0.184 29.536 29.700 0.032 0.000 0.782 1468 E HN 0.526 nan 8.360 nan 0.000 0.491 1469 L N 1.031 122.286 121.223 0.052 0.000 2.034 1469 L HA -0.153 4.187 4.340 -0.000 0.000 0.203 1469 L C 2.931 179.814 176.870 0.022 0.000 1.074 1469 L CA 1.574 56.447 54.840 0.055 0.000 0.748 1469 L CB -0.586 41.510 42.059 0.062 0.000 0.905 1469 L HN 0.073 nan 8.230 nan 0.000 0.439 1470 K N 0.216 120.619 120.400 0.005 0.000 2.160 1470 K HA -0.244 4.075 4.320 -0.000 0.000 0.206 1470 K C 1.756 178.348 176.600 -0.013 0.000 1.047 1470 K CA 1.965 58.245 56.287 -0.012 0.000 0.930 1470 K CB -0.833 31.657 32.500 -0.017 0.000 0.720 1470 K HN 0.509 nan 8.250 nan 0.000 0.450 1471 E N 0.251 120.447 120.200 -0.006 0.000 2.016 1471 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 1471 E C 1.850 178.431 176.600 -0.031 0.000 0.985 1471 E CA 1.093 57.480 56.400 -0.021 0.000 0.802 1471 E CB -0.035 29.658 29.700 -0.012 0.000 0.762 1471 E HN 0.627 nan 8.360 nan 0.000 0.448 1472 D N 0.806 121.220 120.400 0.023 0.000 2.117 1472 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 1472 D C 1.850 178.194 176.300 0.074 0.000 0.987 1472 D CA 1.118 55.172 54.000 0.089 0.000 0.829 1472 D CB -0.386 40.547 40.800 0.220 0.000 0.961 1472 D HN 0.135 nan 8.370 nan 0.000 0.460 1473 A N 1.116 123.960 122.820 0.041 0.000 1.986 1473 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 1473 A C 2.328 179.909 177.584 -0.005 0.000 1.171 1473 A CA 2.955 55.003 52.037 0.018 0.000 0.640 1473 A CB -0.782 18.212 19.000 -0.009 0.000 0.811 1473 A HN 0.360 nan 8.150 nan 0.000 0.451 1474 K N 0.210 120.586 120.400 -0.039 0.000 2.021 1474 K HA -0.020 4.300 4.320 -0.000 0.000 0.205 1474 K C 2.088 178.610 176.600 -0.130 0.000 1.047 1474 K CA 1.923 58.171 56.287 -0.066 0.000 0.943 1474 K CB -0.633 31.827 32.500 -0.068 0.000 0.725 1474 K HN 0.542 nan 8.250 nan 0.000 0.439 1475 K N -0.726 119.521 120.400 -0.255 0.000 1.991 1475 K HA -0.044 4.275 4.320 -0.000 0.000 0.212 1475 K C 1.205 177.479 176.600 -0.544 0.000 1.049 1475 K CA 2.136 58.080 56.287 -0.571 0.000 0.932 1475 K CB -0.240 31.604 32.500 -1.092 0.000 0.717 1475 K HN 0.390 nan 8.250 nan 0.000 0.441 1476 F N 0.045 120.020 119.950 0.042 0.000 2.654 1476 F HA 0.382 4.909 4.527 -0.001 0.000 0.303 1476 F C 0.961 176.809 175.800 0.080 0.000 1.099 1476 F CA -0.410 57.642 58.000 0.087 0.000 1.270 1476 F CB 0.188 39.266 39.000 0.131 0.000 1.024 1476 F HN 0.013 nan 8.300 nan 0.000 0.548 1477 G N 0.539 109.430 108.800 0.151 0.000 2.572 1477 G HA2 0.454 4.413 3.960 -0.000 0.000 0.261 1477 G HA3 0.454 4.413 3.960 -0.000 0.000 0.261 1477 G C -0.936 174.053 174.900 0.147 0.000 1.197 1477 G CA -0.190 44.982 45.100 0.120 0.000 0.870 1477 G HN 0.197 nan 8.290 nan 0.000 0.548 1478 D N -1.251 119.245 120.400 0.160 0.000 2.655 1478 D HA 0.243 4.883 4.640 -0.000 0.000 0.229 1478 D C 0.155 176.502 176.300 0.079 0.000 1.229 1478 D CA -0.806 53.261 54.000 0.113 0.000 0.807 1478 D CB 0.923 41.792 40.800 0.115 0.000 1.514 1478 D HN 0.469 nan 8.370 nan 0.000 0.444 1479 E N 0.689 120.914 120.200 0.041 0.000 2.455 1479 E HA 0.005 4.355 4.350 -0.000 0.000 0.259 1479 E C -0.043 176.565 176.600 0.013 0.000 1.245 1479 E CA -0.323 56.091 56.400 0.024 0.000 1.013 1479 E CB 0.882 30.589 29.700 0.013 0.000 0.978 1479 E HN 0.606 nan 8.360 nan 0.000 0.479 1480 R N -0.070 120.431 120.500 0.002 0.000 2.582 1480 R HA 0.159 4.499 4.340 -0.000 0.000 0.271 1480 R C 0.985 177.268 176.300 -0.029 0.000 1.078 1480 R CA -0.177 55.913 56.100 -0.017 0.000 1.127 1480 R CB 0.664 30.954 30.300 -0.018 0.000 1.038 1480 R HN 0.545 nan 8.270 nan 0.000 0.500 1481 R N 0.764 121.234 120.500 -0.050 0.000 2.013 1481 R HA 0.102 4.442 4.340 -0.000 0.000 0.198 1481 R C 0.234 176.512 176.300 -0.036 0.000 1.407 1481 R CA 0.412 56.485 56.100 -0.044 0.000 1.140 1481 R CB -0.337 29.927 30.300 -0.061 0.000 1.011 1481 R HN 0.689 nan 8.270 nan 0.000 0.472 1482 S N 3.789 119.458 115.700 -0.053 0.000 2.429 1482 S HA 0.225 4.695 4.470 -0.000 0.000 0.292 1482 S C -2.409 172.168 174.600 -0.039 0.000 1.183 1482 S CA -1.246 56.931 58.200 -0.038 0.000 1.088 1482 S CB 0.487 63.655 63.200 -0.053 0.000 1.018 1482 S HN -0.039 nan 8.310 nan 0.000 0.511 1483 P HA 0.422 nan 4.420 nan 0.000 0.274 1483 P C -0.529 176.758 177.300 -0.022 0.000 1.256 1483 P CA -0.693 62.394 63.100 -0.021 0.000 0.795 1483 P CB 0.456 32.150 31.700 -0.011 0.000 1.038 1484 I N 0.195 120.752 120.570 -0.023 0.000 2.433 1484 I HA 0.439 4.609 4.170 -0.000 0.000 0.292 1484 I C 0.622 176.730 176.117 -0.016 0.000 1.001 1484 I CA -0.821 60.466 61.300 -0.022 0.000 1.119 1484 I CB 1.607 39.588 38.000 -0.032 0.000 1.289 1484 I HN 0.160 nan 8.210 nan 0.000 0.438 1485 V N 2.767 122.673 119.914 -0.012 0.000 3.856 1485 V HA 0.975 5.095 4.120 -0.000 0.000 0.302 1485 V C -0.209 175.879 176.094 -0.011 0.000 1.389 1485 V CA -0.486 61.807 62.300 -0.012 0.000 0.964 1485 V CB 1.303 33.117 31.823 -0.014 0.000 1.227 1485 V HN 0.746 nan 8.190 nan 0.000 0.474 1486 A N 0.000 122.813 122.820 -0.011 0.000 2.254 1486 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1486 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 1486 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 1486 A HN 0.000 nan 8.150 nan 0.000 0.486