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 2oev_1_A DATA FIRST_RESID 2 DATA SEQUENCE ATFISVQLKK TSEVDLAKPL VKFIQQTYPS GGEEQAQYCR AAEELSKLRR DATA SEQUENCE AAVGRPLDKH EGALETLLRY YDQICSIEPK FPFSENQICL TFTWKDAFDK DATA SEQUENCE GSLFGGSVKL ALASLGYEKS CVLFNCAALA SQIAAEQNLD NDEGLKIAAK DATA SEQUENCE HYQFASGAFL HIKETVLSAL SREPTVDISP DTVGTLSLIM LAQAQEVFFL DATA SEQUENCE KATRDKMKDA IIAKLANQAA DYFGDAFKQC QYKDTLPKEV FPVLAAKHCI DATA SEQUENCE MQANAEYHQS ILAKQQYYFG EEIARLQHAA ELIKTVASRY DEYVNVKDFS DATA SEQUENCE DKINRALAAA KKDNDFIYHD RVPDLKDLDP IGKATLVKST PVNVPISQKF DATA SEQUENCE TDLFEKMVPV SVQQSLAAYN QRKADLVNRS IAQMREATTL ANGVLASLNL DATA SEQUENCE PAAIEDVSGD TVPQSILTKS RSVIEQGGIQ TVDQLIKELP ELLQRNREIL DATA SEQUENCE DESLRLLDEE EATDNDLRAK FKERWQRTPS NELYKPLRAE GTNFRTVLDK DATA SEQUENCE AVQADGQVKE CYQSHRDTIV LLCKPEPELN AAIPSANPAK TMQGSEVVNV DATA SEQUENCE LKSLLSNLDE VKKEREGLEN DLKSVNFDMT SKFLTALAQD GVINEEALSV DATA SEQUENCE TELDRVYGGL TTKVQESLKK QEGLLKNIQV SHQEFSKMKQ SNNEANLREE DATA SEQUENCE VLKNLATAYD NFVELVANLK EGTKFYNELT EILVRFQNKC SDIVFAR 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.751 177.584 0.279 0.000 1.274 2 A CA 0.000 52.187 52.037 0.250 0.000 0.836 2 A CB 0.000 19.088 19.000 0.146 0.000 0.831 3 T N -0.920 113.720 114.554 0.142 0.000 2.991 3 T HA 0.734 5.086 4.350 0.003 0.000 0.347 3 T C -1.006 173.688 174.700 -0.010 0.000 1.122 3 T CA -0.299 61.864 62.100 0.105 0.000 1.062 3 T CB -0.090 68.796 68.868 0.030 0.000 1.043 3 T HN 0.140 nan 8.240 nan 0.000 0.491 4 F N 2.616 122.631 119.950 0.110 0.000 2.458 4 F HA 0.519 5.048 4.527 0.003 0.000 0.336 4 F C 0.749 176.620 175.800 0.118 0.000 1.114 4 F CA -1.909 56.169 58.000 0.131 0.000 0.987 4 F CB 1.298 40.428 39.000 0.217 0.000 1.130 4 F HN 0.409 nan 8.300 nan 0.000 0.458 5 I N 3.261 123.962 120.570 0.219 0.000 2.741 5 I HA 0.032 4.204 4.170 0.003 0.000 0.288 5 I C 0.520 176.765 176.117 0.214 0.000 1.192 5 I CA 0.495 61.896 61.300 0.168 0.000 1.426 5 I CB -0.159 37.902 38.000 0.102 0.000 1.367 5 I HN 0.650 nan 8.210 nan 0.000 0.563 6 S N 6.025 121.851 115.700 0.209 0.000 2.745 6 S HA 0.790 5.262 4.470 0.003 0.000 0.306 6 S C -0.652 174.080 174.600 0.221 0.000 1.137 6 S CA -0.812 57.520 58.200 0.221 0.000 0.900 6 S CB 2.464 65.793 63.200 0.214 0.000 1.176 6 S HN 0.287 nan 8.310 nan 0.000 0.520 7 V N 1.915 121.972 119.914 0.240 0.000 2.525 7 V HA 0.400 4.522 4.120 0.003 0.000 0.299 7 V C -0.519 175.740 176.094 0.275 0.000 1.034 7 V CA -0.698 61.784 62.300 0.304 0.000 0.863 7 V CB 1.695 33.701 31.823 0.305 0.000 0.999 7 V HN 0.857 nan 8.190 nan 0.000 0.423 8 Q N 3.069 123.044 119.800 0.293 0.000 2.395 8 Q HA 0.307 4.649 4.340 0.003 0.000 0.271 8 Q C 0.041 176.174 176.000 0.221 0.000 1.026 8 Q CA 0.058 55.989 55.803 0.213 0.000 0.900 8 Q CB 1.271 30.118 28.738 0.181 0.000 1.266 8 Q HN 0.540 nan 8.270 nan 0.000 0.430 9 L N 1.261 122.598 121.223 0.191 0.000 2.475 9 L HA 0.123 4.465 4.340 0.003 0.000 0.212 9 L C 0.564 177.559 176.870 0.208 0.000 1.204 9 L CA 0.316 55.297 54.840 0.235 0.000 0.843 9 L CB 0.175 42.346 42.059 0.186 0.000 1.360 9 L HN 0.389 nan 8.230 nan 0.000 0.527 10 K N 0.198 120.754 120.400 0.260 0.000 2.376 10 K HA 0.337 4.659 4.320 0.003 0.000 0.257 10 K C -1.173 175.557 176.600 0.217 0.000 0.939 10 K CA -0.702 55.719 56.287 0.223 0.000 0.809 10 K CB 1.651 34.318 32.500 0.278 0.000 1.121 10 K HN 0.278 nan 8.250 nan 0.000 0.425 11 K N 0.983 121.430 120.400 0.079 0.000 2.219 11 K HA 0.255 4.577 4.320 0.003 0.000 0.258 11 K C 0.122 176.601 176.600 -0.201 0.000 1.008 11 K CA -0.256 56.009 56.287 -0.036 0.000 0.928 11 K CB 1.113 33.596 32.500 -0.029 0.000 0.983 11 K HN 0.399 nan 8.250 nan 0.000 0.484 12 T N -0.326 114.023 114.554 -0.343 0.000 2.885 12 T HA 0.222 4.574 4.350 0.003 0.000 0.322 12 T C -1.225 173.273 174.700 -0.336 0.000 1.387 12 T CA -0.846 60.914 62.100 -0.566 0.000 1.041 12 T CB 1.133 69.175 68.868 -1.377 0.000 1.287 12 T HN 0.650 nan 8.240 nan 0.000 0.491 13 S N 2.618 118.157 115.700 -0.268 0.000 2.565 13 S HA 0.410 4.882 4.470 0.003 0.000 0.274 13 S C 0.086 174.609 174.600 -0.127 0.000 1.309 13 S CA -0.607 57.503 58.200 -0.151 0.000 1.043 13 S CB 0.856 63.997 63.200 -0.097 0.000 0.939 13 S HN 0.808 nan 8.310 nan 0.000 0.504 14 E N 1.750 121.896 120.200 -0.090 0.000 2.257 14 E HA 0.357 4.709 4.350 0.003 0.000 0.278 14 E C -0.429 176.142 176.600 -0.049 0.000 1.049 14 E CA -0.695 55.668 56.400 -0.062 0.000 0.876 14 E CB 0.560 30.229 29.700 -0.053 0.000 1.035 14 E HN 0.651 nan 8.360 nan 0.000 0.419 15 V N 1.852 121.745 119.914 -0.035 0.000 2.555 15 V HA 0.312 4.434 4.120 0.003 0.000 0.302 15 V C -0.000 176.073 176.094 -0.035 0.000 1.038 15 V CA -1.183 61.087 62.300 -0.051 0.000 0.887 15 V CB 1.795 33.556 31.823 -0.103 0.000 0.991 15 V HN 0.609 nan 8.190 nan 0.000 0.434 16 D N 2.790 123.166 120.400 -0.040 0.000 2.349 16 D HA 0.127 4.769 4.640 0.003 0.000 0.266 16 D C 0.825 177.110 176.300 -0.024 0.000 1.293 16 D CA 0.474 54.460 54.000 -0.023 0.000 0.926 16 D CB 1.284 42.070 40.800 -0.023 0.000 1.090 16 D HN 0.711 nan 8.370 nan 0.000 0.502 17 L N 3.727 124.953 121.223 0.004 0.000 2.072 17 L HA -0.113 4.229 4.340 0.003 0.000 0.205 17 L C 2.347 179.215 176.870 -0.003 0.000 1.079 17 L CA 1.109 55.956 54.840 0.012 0.000 0.752 17 L CB -0.050 42.051 42.059 0.069 0.000 0.906 17 L HN 0.479 nan 8.230 nan 0.000 0.436 18 A N -0.997 121.835 122.820 0.020 0.000 2.167 18 A HA -0.161 4.161 4.320 0.003 0.000 0.214 18 A C 2.243 179.839 177.584 0.020 0.000 1.151 18 A CA 1.003 53.059 52.037 0.031 0.000 0.735 18 A CB -0.296 18.740 19.000 0.059 0.000 0.802 18 A HN 0.297 nan 8.150 nan 0.000 0.467 19 K N 0.151 120.553 120.400 0.003 0.000 2.001 19 K HA -0.085 4.237 4.320 0.003 0.000 0.208 19 K C -1.181 175.419 176.600 0.000 0.000 1.048 19 K CA 1.598 57.886 56.287 0.002 0.000 0.932 19 K CB -0.486 32.008 32.500 -0.011 0.000 0.715 19 K HN 0.380 nan 8.250 nan 0.000 0.437 20 P HA 0.024 nan 4.420 nan 0.000 0.262 20 P C 0.565 177.846 177.300 -0.032 0.000 1.304 20 P CA 0.309 63.396 63.100 -0.023 0.000 0.859 20 P CB 0.409 32.074 31.700 -0.058 0.000 1.310 21 L N -0.999 120.193 121.223 -0.051 0.000 2.388 21 L HA 0.125 4.468 4.340 0.003 0.000 0.209 21 L C 1.971 178.860 176.870 0.031 0.000 1.061 21 L CA 1.078 55.846 54.840 -0.120 0.000 0.834 21 L CB -0.566 41.356 42.059 -0.228 0.000 1.029 21 L HN -0.303 nan 8.230 nan 0.000 0.473 22 V N -0.227 119.733 119.914 0.077 0.000 2.667 22 V HA -0.186 3.936 4.120 0.003 0.000 0.252 22 V C 2.342 178.524 176.094 0.147 0.000 1.065 22 V CA 1.432 63.815 62.300 0.138 0.000 1.083 22 V CB -0.657 31.236 31.823 0.116 0.000 0.692 22 V HN 0.377 nan 8.190 nan 0.000 0.468 23 K N -0.718 119.757 120.400 0.126 0.000 2.280 23 K HA -0.133 4.189 4.320 0.003 0.000 0.202 23 K C 1.893 178.599 176.600 0.176 0.000 1.047 23 K CA 1.328 57.691 56.287 0.125 0.000 0.942 23 K CB -0.179 32.381 32.500 0.100 0.000 0.739 23 K HN 0.464 nan 8.250 nan 0.000 0.457 24 F N 0.843 120.844 119.950 0.084 0.000 2.512 24 F HA 0.080 4.610 4.527 0.003 0.000 0.296 24 F C 1.438 177.329 175.800 0.152 0.000 1.110 24 F CA 0.563 58.639 58.000 0.126 0.000 1.446 24 F CB 0.226 39.341 39.000 0.191 0.000 1.092 24 F HN -0.130 nan 8.300 nan 0.000 0.554 25 I N -0.605 120.108 120.570 0.239 0.000 3.059 25 I HA -0.146 4.026 4.170 0.003 0.000 0.270 25 I C 1.891 178.068 176.117 0.100 0.000 1.238 25 I CA 0.388 61.809 61.300 0.201 0.000 1.478 25 I CB -0.476 37.725 38.000 0.336 0.000 1.097 25 I HN 0.081 nan 8.210 nan 0.000 0.455 26 Q N 0.865 120.706 119.800 0.069 0.000 2.046 26 Q HA -0.249 4.093 4.340 0.003 0.000 0.200 26 Q C 2.243 178.221 176.000 -0.037 0.000 0.975 26 Q CA 1.589 57.413 55.803 0.036 0.000 0.836 26 Q CB -0.210 28.555 28.738 0.045 0.000 0.896 26 Q HN 0.311 nan 8.270 nan 0.000 0.428 27 Q N -0.511 119.208 119.800 -0.134 0.000 2.226 27 Q HA -0.110 4.232 4.340 0.003 0.000 0.204 27 Q C 1.373 177.180 176.000 -0.322 0.000 0.975 27 Q CA 1.823 57.469 55.803 -0.262 0.000 0.866 27 Q CB -0.182 28.277 28.738 -0.465 0.000 0.915 27 Q HN 0.397 nan 8.270 nan 0.000 0.440 28 T N -0.989 113.369 114.554 -0.327 0.000 2.697 28 T HA -0.007 4.345 4.350 0.003 0.000 0.244 28 T C -0.047 174.487 174.700 -0.277 0.000 1.090 28 T CA 0.887 62.775 62.100 -0.352 0.000 1.255 28 T CB -0.396 68.287 68.868 -0.308 0.000 0.931 28 T HN 0.168 nan 8.240 nan 0.000 0.406 29 Y N 1.778 122.076 120.300 -0.003 0.000 2.308 29 Y HA 0.297 4.849 4.550 0.003 0.000 0.329 29 Y C -1.491 174.403 175.900 -0.010 0.000 1.111 29 Y CA -2.459 55.636 58.100 -0.008 0.000 1.179 29 Y CB 1.216 39.665 38.460 -0.018 0.000 1.201 29 Y HN 0.216 nan 8.280 nan 0.000 0.483 30 P HA 0.010 nan 4.420 nan 0.000 0.251 30 P C -0.050 177.290 177.300 0.067 0.000 1.223 30 P CA 0.383 63.535 63.100 0.088 0.000 0.796 30 P CB 0.680 32.419 31.700 0.065 0.000 1.068 31 S N -0.178 115.561 115.700 0.065 0.000 2.482 31 S HA 0.663 5.135 4.470 0.003 0.000 0.303 31 S C 0.217 174.812 174.600 -0.009 0.000 1.091 31 S CA -0.659 57.548 58.200 0.012 0.000 1.057 31 S CB 0.787 63.976 63.200 -0.019 0.000 1.031 31 S HN 0.077 nan 8.310 nan 0.000 0.485 32 G N 1.244 110.038 108.800 -0.011 0.000 2.390 32 G HA2 0.503 4.465 3.960 0.003 0.000 0.270 32 G HA3 0.503 4.465 3.960 0.003 0.000 0.270 32 G C 1.058 175.931 174.900 -0.046 0.000 1.211 32 G CA 0.010 45.097 45.100 -0.021 0.000 0.842 32 G HN 1.868 nan 8.290 nan 0.000 0.519 33 G N 0.944 109.707 108.800 -0.062 0.000 2.234 33 G HA2 -0.253 3.709 3.960 0.003 0.000 0.235 33 G HA3 -0.253 3.709 3.960 0.003 0.000 0.235 33 G C 0.510 175.335 174.900 -0.125 0.000 0.997 33 G CA 0.541 45.594 45.100 -0.077 0.000 0.623 33 G HN 0.855 nan 8.290 nan 0.000 0.514 34 E N 0.245 120.344 120.200 -0.169 0.000 2.421 34 E HA 0.396 4.748 4.350 0.003 0.000 0.253 34 E C 1.430 177.790 176.600 -0.399 0.000 1.277 34 E CA -0.050 56.173 56.400 -0.296 0.000 0.968 34 E CB 0.339 29.825 29.700 -0.356 0.000 1.040 34 E HN 0.204 nan 8.360 nan 0.000 0.512 35 E N 0.298 120.128 120.200 -0.616 0.000 2.284 35 E HA -0.257 4.095 4.350 0.003 0.000 0.200 35 E C 1.602 177.784 176.600 -0.697 0.000 1.008 35 E CA 0.818 56.808 56.400 -0.684 0.000 0.829 35 E CB -0.007 29.203 29.700 -0.817 0.000 0.744 35 E HN 0.372 nan 8.360 nan 0.000 0.491 36 Q N -0.212 119.234 119.800 -0.590 0.000 2.290 36 Q HA -0.283 4.059 4.340 0.003 0.000 0.211 36 Q C 1.875 177.852 176.000 -0.038 0.000 0.991 36 Q CA 1.617 57.363 55.803 -0.095 0.000 0.893 36 Q CB -0.118 28.640 28.738 0.034 0.000 0.913 36 Q HN 0.381 nan 8.270 nan 0.000 0.428 37 A N 0.222 122.972 122.820 -0.118 0.000 1.872 37 A HA -0.193 4.129 4.320 0.003 0.000 0.214 37 A C 1.975 179.551 177.584 -0.013 0.000 1.187 37 A CA 1.384 53.393 52.037 -0.047 0.000 0.614 37 A CB -0.589 18.370 19.000 -0.069 0.000 0.826 37 A HN 0.490 nan 8.150 nan 0.000 0.442 38 Q N -1.256 118.504 119.800 -0.067 0.000 2.170 38 Q HA -0.150 4.192 4.340 0.003 0.000 0.203 38 Q C 1.373 177.492 176.000 0.197 0.000 0.976 38 Q CA 1.506 57.319 55.803 0.018 0.000 0.858 38 Q CB -0.218 28.508 28.738 -0.019 0.000 0.907 38 Q HN 0.870 nan 8.270 nan 0.000 0.433 39 Y N -2.051 118.288 120.300 0.066 0.000 2.529 39 Y HA -0.062 4.490 4.550 0.003 0.000 0.290 39 Y C 1.703 177.734 175.900 0.218 0.000 1.177 39 Y CA -0.578 57.623 58.100 0.168 0.000 1.305 39 Y CB 0.443 39.119 38.460 0.361 0.000 1.047 39 Y HN 0.307 nan 8.280 nan 0.000 0.522 40 C N -1.416 118.046 119.300 0.270 0.000 3.364 40 C HA 0.120 4.582 4.460 0.003 0.000 0.340 40 C C 1.993 177.056 174.990 0.122 0.000 1.336 40 C CA -0.247 58.890 59.018 0.198 0.000 1.778 40 C CB -0.394 27.439 27.740 0.156 0.000 2.398 40 C HN 0.372 nan 8.230 nan 0.000 0.667 41 R N 1.219 121.767 120.500 0.081 0.000 2.319 41 R HA 0.215 4.557 4.340 0.003 0.000 0.204 41 R C 1.521 177.824 176.300 0.004 0.000 0.954 41 R CA 0.815 56.936 56.100 0.036 0.000 1.066 41 R CB -0.037 30.271 30.300 0.014 0.000 0.991 41 R HN 0.537 nan 8.270 nan 0.000 0.486 42 A N -0.797 122.018 122.820 -0.009 0.000 2.141 42 A HA 0.368 4.690 4.320 0.003 0.000 0.201 42 A C 1.876 179.558 177.584 0.163 0.000 1.344 42 A CA 0.393 52.368 52.037 -0.104 0.000 0.971 42 A CB 0.034 18.663 19.000 -0.618 0.000 1.035 42 A HN 0.234 nan 8.150 nan 0.000 0.480 43 A N 0.340 123.342 122.820 0.304 0.000 1.902 43 A HA -0.125 4.197 4.320 0.003 0.000 0.217 43 A C 1.835 179.539 177.584 0.201 0.000 1.181 43 A CA 2.106 54.355 52.037 0.354 0.000 0.623 43 A CB -0.326 18.843 19.000 0.282 0.000 0.818 43 A HN 0.448 nan 8.150 nan 0.000 0.443 44 E N -0.550 119.735 120.200 0.142 0.000 2.385 44 E HA -0.057 4.295 4.350 0.003 0.000 0.194 44 E C 1.787 178.443 176.600 0.092 0.000 1.013 44 E CA 0.943 57.402 56.400 0.098 0.000 0.866 44 E CB -0.030 29.713 29.700 0.071 0.000 0.832 44 E HN 0.645 nan 8.360 nan 0.000 0.500 45 E N -0.140 120.118 120.200 0.098 0.000 2.150 45 E HA -0.167 4.185 4.350 0.003 0.000 0.193 45 E C 1.772 178.448 176.600 0.127 0.000 0.985 45 E CA 0.971 57.423 56.400 0.086 0.000 0.814 45 E CB -0.261 29.471 29.700 0.053 0.000 0.752 45 E HN 0.332 nan 8.360 nan 0.000 0.466 46 L N -0.032 121.304 121.223 0.188 0.000 2.072 46 L HA 0.037 4.379 4.340 0.003 0.000 0.205 46 L C 2.358 179.340 176.870 0.187 0.000 1.079 46 L CA 1.980 56.963 54.840 0.238 0.000 0.752 46 L CB -1.011 41.231 42.059 0.305 0.000 0.906 46 L HN 0.179 nan 8.230 nan 0.000 0.436 47 S N -0.704 115.079 115.700 0.138 0.000 2.400 47 S HA -0.246 4.226 4.470 0.003 0.000 0.232 47 S C 2.154 176.785 174.600 0.051 0.000 1.025 47 S CA 1.543 59.797 58.200 0.090 0.000 0.993 47 S CB -0.367 62.874 63.200 0.068 0.000 0.808 47 S HN 0.521 nan 8.310 nan 0.000 0.478 48 K N 0.136 120.569 120.400 0.056 0.000 2.097 48 K HA -0.070 4.252 4.320 0.003 0.000 0.205 48 K C 2.121 178.730 176.600 0.015 0.000 1.050 48 K CA 1.180 57.486 56.287 0.031 0.000 0.938 48 K CB -0.287 32.236 32.500 0.039 0.000 0.718 48 K HN 0.369 nan 8.250 nan 0.000 0.442 49 L N 1.801 123.050 121.223 0.042 0.000 2.027 49 L HA -0.118 4.224 4.340 0.003 0.000 0.206 49 L C 2.570 179.334 176.870 -0.177 0.000 1.074 49 L CA 1.577 56.428 54.840 0.018 0.000 0.745 49 L CB -0.602 41.554 42.059 0.162 0.000 0.898 49 L HN 0.119 nan 8.230 nan 0.000 0.433 50 R N -0.602 119.734 120.500 -0.273 0.000 2.080 50 R HA -0.201 4.141 4.340 0.003 0.000 0.236 50 R C 2.495 178.626 176.300 -0.282 0.000 1.137 50 R CA 1.887 57.658 56.100 -0.548 0.000 0.943 50 R CB -0.271 29.890 30.300 -0.231 0.000 0.846 50 R HN 0.314 nan 8.270 nan 0.000 0.431 51 R N -0.365 120.055 120.500 -0.134 0.000 2.096 51 R HA -0.146 4.196 4.340 0.003 0.000 0.240 51 R C 2.256 178.508 176.300 -0.081 0.000 1.139 51 R CA 1.776 57.824 56.100 -0.086 0.000 0.952 51 R CB -0.332 29.940 30.300 -0.046 0.000 0.854 51 R HN 0.340 nan 8.270 nan 0.000 0.436 52 A N 0.130 122.906 122.820 -0.073 0.000 2.014 52 A HA 0.038 4.360 4.320 0.003 0.000 0.218 52 A C 2.090 179.643 177.584 -0.051 0.000 1.163 52 A CA 1.376 53.386 52.037 -0.046 0.000 0.652 52 A CB -0.223 18.764 19.000 -0.022 0.000 0.808 52 A HN 0.426 nan 8.150 nan 0.000 0.449 53 A N -1.407 121.349 122.820 -0.107 0.000 1.862 53 A HA 0.277 4.599 4.320 0.003 0.000 0.211 53 A C 1.736 179.289 177.584 -0.052 0.000 1.220 53 A CA 1.569 53.556 52.037 -0.085 0.000 0.616 53 A CB -0.475 18.419 19.000 -0.175 0.000 0.878 53 A HN 0.777 nan 8.150 nan 0.000 0.453 54 V N -0.222 119.630 119.914 -0.104 0.000 3.159 54 V HA 0.342 4.464 4.120 0.003 0.000 0.333 54 V C 1.486 177.531 176.094 -0.083 0.000 1.424 54 V CA 0.768 63.047 62.300 -0.036 0.000 1.125 54 V CB 0.246 32.103 31.823 0.055 0.000 1.075 54 V HN 0.531 nan 8.190 nan 0.000 0.482 55 G N 1.120 109.869 108.800 -0.084 0.000 2.623 55 G HA2 0.065 4.027 3.960 0.003 0.000 0.214 55 G HA3 0.065 4.027 3.960 0.003 0.000 0.214 55 G C 0.695 175.562 174.900 -0.055 0.000 1.138 55 G CA -0.108 44.945 45.100 -0.080 0.000 0.794 55 G HN 0.545 nan 8.290 nan 0.000 0.535 56 R N -0.426 120.054 120.500 -0.033 0.000 2.888 56 R HA 0.503 4.845 4.340 0.003 0.000 0.266 56 R C -3.098 173.205 176.300 0.005 0.000 1.020 56 R CA -2.072 54.019 56.100 -0.015 0.000 0.963 56 R CB 0.662 30.955 30.300 -0.011 0.000 1.197 56 R HN -0.168 nan 8.270 nan 0.000 0.481 57 P HA 0.077 nan 4.420 nan 0.000 0.271 57 P C -0.823 176.493 177.300 0.027 0.000 1.226 57 P CA -0.141 62.976 63.100 0.029 0.000 0.765 57 P CB 0.416 32.133 31.700 0.027 0.000 0.835 58 L N 2.806 124.052 121.223 0.038 0.000 2.387 58 L HA 0.306 4.648 4.340 0.003 0.000 0.266 58 L C 0.691 177.581 176.870 0.033 0.000 1.059 58 L CA -0.076 54.785 54.840 0.033 0.000 0.801 58 L CB 0.326 42.412 42.059 0.044 0.000 1.223 58 L HN 0.331 nan 8.230 nan 0.000 0.456 59 D N 1.891 122.306 120.400 0.026 0.000 2.422 59 D HA 0.052 4.694 4.640 0.003 0.000 0.227 59 D C 0.035 176.371 176.300 0.060 0.000 1.190 59 D CA -0.254 53.761 54.000 0.024 0.000 0.905 59 D CB 0.522 41.314 40.800 -0.013 0.000 1.034 59 D HN 0.299 nan 8.370 nan 0.000 0.507 60 K N 2.568 123.003 120.400 0.058 0.000 2.258 60 K HA -0.113 4.209 4.320 0.003 0.000 0.266 60 K C 0.552 177.215 176.600 0.106 0.000 1.204 60 K CA 0.736 57.057 56.287 0.056 0.000 1.206 60 K CB 0.219 32.737 32.500 0.031 0.000 0.854 60 K HN 0.514 nan 8.250 nan 0.000 0.453 61 H N 1.586 120.637 119.070 -0.032 0.000 5.308 61 H HA 0.176 4.733 4.556 0.003 0.000 0.126 61 H C 0.216 175.524 175.328 -0.033 0.000 1.315 61 H CA -0.158 55.874 56.048 -0.028 0.000 0.198 61 H CB 1.153 30.908 29.762 -0.012 0.000 1.678 61 H HN 0.481 nan 8.280 nan 0.000 0.191 62 E N -1.002 119.114 120.200 -0.139 0.000 3.297 62 E HA 0.136 4.488 4.350 0.003 0.000 0.232 62 E C 1.680 178.300 176.600 0.034 0.000 1.143 62 E CA 0.421 56.742 56.400 -0.132 0.000 1.741 62 E CB 0.471 30.008 29.700 -0.272 0.000 1.925 62 E HN 0.490 nan 8.360 nan 0.000 0.924 63 G N 1.580 110.485 108.800 0.175 0.000 2.418 63 G HA2 -0.236 3.726 3.960 0.003 0.000 0.217 63 G HA3 -0.236 3.726 3.960 0.003 0.000 0.217 63 G C 1.642 176.607 174.900 0.108 0.000 1.158 63 G CA 1.114 46.300 45.100 0.142 0.000 0.771 63 G HN 0.298 nan 8.290 nan 0.000 0.545 64 A N 0.428 123.323 122.820 0.125 0.000 1.927 64 A HA -0.078 4.244 4.320 0.003 0.000 0.220 64 A C 2.366 179.990 177.584 0.068 0.000 1.185 64 A CA 1.917 54.004 52.037 0.084 0.000 0.639 64 A CB -0.477 18.575 19.000 0.086 0.000 0.820 64 A HN 0.450 nan 8.150 nan 0.000 0.451 65 L N -0.551 120.701 121.223 0.048 0.000 1.988 65 L HA -0.098 4.244 4.340 0.003 0.000 0.207 65 L C 2.315 179.209 176.870 0.040 0.000 1.071 65 L CA 2.297 57.152 54.840 0.026 0.000 0.744 65 L CB -0.709 41.336 42.059 -0.023 0.000 0.893 65 L HN 0.346 nan 8.230 nan 0.000 0.433 66 E N -0.412 119.809 120.200 0.035 0.000 2.136 66 E HA -0.246 4.106 4.350 0.003 0.000 0.202 66 E C 2.017 178.672 176.600 0.092 0.000 1.019 66 E CA 2.023 58.451 56.400 0.046 0.000 0.819 66 E CB -0.568 29.160 29.700 0.047 0.000 0.739 66 E HN 0.609 nan 8.360 nan 0.000 0.458 67 T N 1.795 116.409 114.554 0.100 0.000 2.595 67 T HA -0.158 4.194 4.350 0.003 0.000 0.264 67 T C 2.160 176.965 174.700 0.176 0.000 1.058 67 T CA 1.126 63.301 62.100 0.125 0.000 1.166 67 T CB -0.552 68.370 68.868 0.090 0.000 0.863 67 T HN 0.123 nan 8.240 nan 0.000 0.415 68 L N 0.367 121.685 121.223 0.159 0.000 2.089 68 L HA -0.158 4.184 4.340 0.003 0.000 0.213 68 L C 2.384 179.405 176.870 0.253 0.000 1.079 68 L CA 1.277 56.248 54.840 0.219 0.000 0.758 68 L CB -0.425 41.733 42.059 0.165 0.000 0.891 68 L HN 0.307 nan 8.230 nan 0.000 0.433 69 L N -1.425 119.900 121.223 0.170 0.000 2.044 69 L HA -0.184 4.158 4.340 0.003 0.000 0.205 69 L C 2.601 179.577 176.870 0.176 0.000 1.075 69 L CA 1.044 55.971 54.840 0.145 0.000 0.747 69 L CB -0.492 41.592 42.059 0.042 0.000 0.903 69 L HN 0.140 nan 8.230 nan 0.000 0.435 70 R N -1.124 119.490 120.500 0.191 0.000 2.235 70 R HA -0.157 4.185 4.340 0.003 0.000 0.213 70 R C 2.180 178.671 176.300 0.318 0.000 1.059 70 R CA 0.838 57.085 56.100 0.245 0.000 0.997 70 R CB -0.073 30.392 30.300 0.274 0.000 0.884 70 R HN 0.351 nan 8.270 nan 0.000 0.462 71 Y N -0.783 119.621 120.300 0.174 0.000 2.138 71 Y HA -0.283 4.269 4.550 0.003 0.000 0.286 71 Y C 1.996 177.986 175.900 0.149 0.000 1.115 71 Y CA 1.600 59.801 58.100 0.168 0.000 1.105 71 Y CB -0.414 38.143 38.460 0.162 0.000 1.004 71 Y HN 0.072 nan 8.280 nan 0.000 0.494 72 Y N 1.829 122.111 120.300 -0.029 0.000 2.132 72 Y HA -0.386 4.166 4.550 0.003 0.000 0.280 72 Y C 2.143 177.951 175.900 -0.154 0.000 1.193 72 Y CA 2.153 60.168 58.100 -0.141 0.000 1.157 72 Y CB -0.756 37.683 38.460 -0.035 0.000 0.966 72 Y HN 0.283 nan 8.280 nan 0.000 0.511 73 D N -0.166 120.175 120.400 -0.098 0.000 2.120 73 D HA -0.261 4.381 4.640 0.003 0.000 0.191 73 D C 2.075 178.266 176.300 -0.181 0.000 0.994 73 D CA 1.963 55.794 54.000 -0.281 0.000 0.838 73 D CB -0.602 39.881 40.800 -0.528 0.000 0.976 73 D HN 0.386 nan 8.370 nan 0.000 0.447 74 Q N 0.462 120.293 119.800 0.052 0.000 2.197 74 Q HA -0.120 4.222 4.340 0.003 0.000 0.207 74 Q C 2.169 178.137 176.000 -0.054 0.000 0.984 74 Q CA 0.858 56.756 55.803 0.160 0.000 0.869 74 Q CB -0.343 28.547 28.738 0.254 0.000 0.906 74 Q HN 0.393 nan 8.270 nan 0.000 0.426 75 I N -1.057 119.342 120.570 -0.287 0.000 2.058 75 I HA -0.408 3.764 4.170 0.003 0.000 0.235 75 I C 2.170 178.124 176.117 -0.272 0.000 1.053 75 I CA 1.346 62.435 61.300 -0.352 0.000 1.313 75 I CB -0.540 37.137 38.000 -0.537 0.000 1.039 75 I HN 0.271 nan 8.210 nan 0.000 0.396 76 C N 0.375 119.434 119.300 -0.401 0.000 2.403 76 C HA -0.145 4.317 4.460 0.003 0.000 0.282 76 C C 2.997 177.906 174.990 -0.135 0.000 1.297 76 C CA 1.099 59.942 59.018 -0.292 0.000 1.785 76 C CB -1.348 26.160 27.740 -0.387 0.000 1.963 76 C HN 0.514 nan 8.230 nan 0.000 0.507 77 S N 0.283 115.932 115.700 -0.085 0.000 2.507 77 S HA 0.003 4.475 4.470 0.003 0.000 0.235 77 S C 1.409 176.030 174.600 0.035 0.000 0.988 77 S CA 0.885 59.105 58.200 0.032 0.000 0.944 77 S CB -0.145 63.158 63.200 0.172 0.000 0.762 77 S HN 0.550 nan 8.310 nan 0.000 0.526 78 I N 1.307 121.877 120.570 0.000 0.000 3.790 78 I HA 0.034 4.206 4.170 0.003 0.000 0.305 78 I C 2.209 178.370 176.117 0.074 0.000 1.253 78 I CA 0.229 61.551 61.300 0.037 0.000 1.355 78 I CB -0.143 37.851 38.000 -0.009 0.000 1.137 78 I HN 0.284 nan 8.210 nan 0.000 0.435 79 E N 1.938 122.153 120.200 0.025 0.000 2.204 79 E HA -0.110 4.242 4.350 0.003 0.000 0.195 79 E C -1.106 175.515 176.600 0.035 0.000 0.990 79 E CA 0.599 57.027 56.400 0.046 0.000 0.821 79 E CB -1.355 28.354 29.700 0.015 0.000 0.750 79 E HN 0.316 nan 8.360 nan 0.000 0.477 80 P HA 0.075 nan 4.420 nan 0.000 0.258 80 P C -0.444 176.775 177.300 -0.134 0.000 1.559 80 P CA 0.421 63.513 63.100 -0.013 0.000 0.855 80 P CB 0.063 31.758 31.700 -0.008 0.000 1.594 81 K N -2.122 118.137 120.400 -0.236 0.000 2.589 81 K HA 0.232 4.554 4.320 0.003 0.000 0.218 81 K C 0.307 176.283 176.600 -1.039 0.000 1.468 81 K CA 0.203 56.118 56.287 -0.620 0.000 1.002 81 K CB 0.598 32.633 32.500 -0.776 0.000 1.200 81 K HN 0.054 nan 8.250 nan 0.000 0.614 82 F N 0.368 120.187 119.950 -0.217 0.000 1.868 82 F HA 0.188 4.717 4.527 0.003 0.000 0.245 82 F C -1.867 173.755 175.800 -0.296 0.000 1.114 82 F CA -0.503 57.234 58.000 -0.438 0.000 1.261 82 F CB -0.755 37.973 39.000 -0.453 0.000 1.620 82 F HN -0.289 nan 8.300 nan 0.000 0.567 83 P HA 0.147 nan 4.420 nan 0.000 0.225 83 P C 0.195 177.558 177.300 0.105 0.000 1.813 83 P CA 0.337 63.472 63.100 0.058 0.000 1.013 83 P CB -0.415 31.326 31.700 0.068 0.000 1.961 84 F N 2.227 122.143 119.950 -0.058 0.000 2.044 84 F HA -0.126 4.403 4.527 0.003 0.000 0.287 84 F C 2.199 177.987 175.800 -0.019 0.000 1.155 84 F CA 2.182 60.158 58.000 -0.040 0.000 1.152 84 F CB -0.534 38.438 39.000 -0.048 0.000 1.013 84 F HN 0.133 nan 8.300 nan 0.000 0.478 85 S N 0.048 115.798 115.700 0.084 0.000 2.548 85 S HA 0.039 4.511 4.470 0.003 0.000 0.215 85 S C 0.063 174.672 174.600 0.015 0.000 0.976 85 S CA 0.258 58.450 58.200 -0.013 0.000 0.908 85 S CB -1.108 62.123 63.200 0.052 0.000 0.781 85 S HN 0.542 nan 8.310 nan 0.000 0.519 86 E N 1.274 121.496 120.200 0.037 0.000 2.272 86 E HA -0.337 4.015 4.350 0.003 0.000 0.160 86 E C 0.368 176.986 176.600 0.030 0.000 1.627 86 E CA 0.644 57.059 56.400 0.025 0.000 0.641 86 E CB -2.173 27.539 29.700 0.020 0.000 1.060 86 E HN 0.608 nan 8.360 nan 0.000 0.324 87 N N 1.918 120.647 118.700 0.050 0.000 2.007 87 N HA -0.255 4.487 4.740 0.003 0.000 0.197 87 N C 1.408 176.945 175.510 0.045 0.000 1.050 87 N CA 2.423 55.506 53.050 0.055 0.000 0.856 87 N CB 0.109 38.645 38.487 0.081 0.000 1.050 87 N HN 0.566 nan 8.380 nan 0.000 0.423 88 Q N -1.191 118.641 119.800 0.052 0.000 2.101 88 Q HA 0.187 4.529 4.340 0.003 0.000 0.236 88 Q C -0.441 175.579 176.000 0.033 0.000 0.772 88 Q CA -0.373 55.455 55.803 0.041 0.000 0.944 88 Q CB 0.976 29.743 28.738 0.048 0.000 1.171 88 Q HN 0.385 nan 8.270 nan 0.000 0.463 89 I N 2.547 123.139 120.570 0.037 0.000 3.138 89 I HA -0.136 4.036 4.170 0.003 0.000 0.286 89 I C -0.590 175.517 176.117 -0.017 0.000 1.194 89 I CA 0.955 62.264 61.300 0.014 0.000 1.392 89 I CB -0.187 37.801 38.000 -0.022 0.000 1.476 89 I HN 0.246 nan 8.210 nan 0.000 0.579 90 C N 9.036 128.321 119.300 -0.025 0.000 2.146 90 C HA 0.407 4.869 4.460 0.003 0.000 0.338 90 C C -0.106 174.823 174.990 -0.102 0.000 1.074 90 C CA -0.713 58.275 59.018 -0.050 0.000 1.527 90 C CB -0.485 27.235 27.740 -0.033 0.000 1.915 90 C HN 0.674 nan 8.230 nan 0.000 0.453 91 L N 6.748 127.874 121.223 -0.163 0.000 2.457 91 L HA 0.430 4.772 4.340 0.003 0.000 0.252 91 L C 0.379 176.961 176.870 -0.480 0.000 1.132 91 L CA 0.341 54.993 54.840 -0.313 0.000 0.938 91 L CB 1.032 42.887 42.059 -0.340 0.000 1.246 91 L HN 0.679 nan 8.230 nan 0.000 0.476 92 T N 2.643 117.013 114.554 -0.307 0.000 2.884 92 T HA 0.432 4.784 4.350 0.003 0.000 0.298 92 T C -0.087 174.458 174.700 -0.258 0.000 0.998 92 T CA 0.160 62.146 62.100 -0.189 0.000 1.124 92 T CB 0.343 69.177 68.868 -0.058 0.000 0.931 92 T HN 0.165 nan 8.240 nan 0.000 0.531 93 F N 1.177 121.226 119.950 0.165 0.000 2.450 93 F HA 0.472 5.001 4.527 0.003 0.000 0.332 93 F C 0.924 176.887 175.800 0.271 0.000 1.093 93 F CA -0.838 57.302 58.000 0.234 0.000 1.003 93 F CB 1.778 41.023 39.000 0.408 0.000 1.151 93 F HN 0.415 nan 8.300 nan 0.000 0.474 94 T N 1.472 116.229 114.554 0.338 0.000 2.812 94 T HA 0.370 4.722 4.350 0.003 0.000 0.282 94 T C -1.409 173.350 174.700 0.098 0.000 0.990 94 T CA -0.657 61.584 62.100 0.236 0.000 0.960 94 T CB 0.582 69.496 68.868 0.076 0.000 0.948 94 T HN 0.414 nan 8.240 nan 0.000 0.438 95 W N 1.967 123.403 121.300 0.227 0.000 2.883 95 W HA 0.594 5.256 4.660 0.003 0.000 0.335 95 W C -0.453 176.113 176.519 0.079 0.000 1.083 95 W CA -0.936 56.479 57.345 0.116 0.000 1.233 95 W CB 1.647 31.119 29.460 0.020 0.000 1.412 95 W HN 0.327 nan 8.180 nan 0.000 0.490 96 K N 1.802 122.342 120.400 0.232 0.000 2.159 96 K HA 0.274 4.596 4.320 0.003 0.000 0.266 96 K C -0.484 176.157 176.600 0.069 0.000 0.975 96 K CA -0.728 55.629 56.287 0.116 0.000 0.865 96 K CB 1.045 33.572 32.500 0.044 0.000 1.087 96 K HN 0.277 nan 8.250 nan 0.000 0.446 97 D N 0.881 121.290 120.400 0.014 0.000 2.390 97 D HA 0.072 4.714 4.640 0.003 0.000 0.236 97 D C 0.587 176.774 176.300 -0.188 0.000 1.189 97 D CA 0.471 54.417 54.000 -0.090 0.000 0.887 97 D CB 0.981 41.756 40.800 -0.042 0.000 1.198 97 D HN 0.547 nan 8.370 nan 0.000 0.444 98 A N 2.180 124.737 122.820 -0.438 0.000 1.984 98 A HA 0.118 4.440 4.320 0.003 0.000 0.214 98 A C 0.349 177.508 177.584 -0.709 0.000 1.173 98 A CA 0.408 52.038 52.037 -0.678 0.000 0.673 98 A CB 0.007 18.355 19.000 -1.088 0.000 0.830 98 A HN 0.490 nan 8.150 nan 0.000 0.453 99 F N 0.750 120.722 119.950 0.038 0.000 2.443 99 F HA 0.287 4.816 4.527 0.003 0.000 0.369 99 F C 0.261 176.083 175.800 0.036 0.000 1.090 99 F CA -1.286 56.743 58.000 0.049 0.000 1.129 99 F CB 0.808 39.840 39.000 0.053 0.000 1.367 99 F HN 0.029 nan 8.300 nan 0.000 0.465 100 D N 0.980 121.466 120.400 0.142 0.000 2.137 100 D HA -0.180 4.462 4.640 0.003 0.000 0.189 100 D C 0.855 177.214 176.300 0.097 0.000 0.998 100 D CA 1.374 55.428 54.000 0.091 0.000 0.839 100 D CB 0.021 40.864 40.800 0.072 0.000 0.962 100 D HN 0.267 nan 8.370 nan 0.000 0.446 101 K N 1.511 121.972 120.400 0.102 0.000 2.062 101 K HA 0.163 4.485 4.320 0.003 0.000 0.251 101 K C 0.657 177.307 176.600 0.083 0.000 1.113 101 K CA 0.046 56.381 56.287 0.080 0.000 1.096 101 K CB 0.564 33.103 32.500 0.065 0.000 1.099 101 K HN 0.263 nan 8.250 nan 0.000 0.350 102 G N 0.859 109.706 108.800 0.078 0.000 2.474 102 G HA2 -0.038 3.924 3.960 0.003 0.000 0.182 102 G HA3 -0.038 3.924 3.960 0.003 0.000 0.182 102 G C -0.338 174.597 174.900 0.057 0.000 1.702 102 G CA -0.199 44.943 45.100 0.070 0.000 0.708 102 G HN 0.453 nan 8.290 nan 0.000 0.753 103 S N 0.803 116.543 115.700 0.067 0.000 2.457 103 S HA 0.601 5.073 4.470 0.003 0.000 0.289 103 S C 0.061 174.716 174.600 0.091 0.000 1.163 103 S CA -0.604 57.644 58.200 0.080 0.000 1.078 103 S CB 1.268 64.520 63.200 0.087 0.000 0.987 103 S HN 0.318 nan 8.310 nan 0.000 0.482 104 L N 3.160 124.451 121.223 0.114 0.000 3.034 104 L HA 0.527 4.869 4.340 0.003 0.000 0.245 104 L C -0.720 176.272 176.870 0.203 0.000 1.295 104 L CA -0.177 54.734 54.840 0.118 0.000 1.068 104 L CB -0.576 41.538 42.059 0.092 0.000 1.426 104 L HN 0.697 nan 8.230 nan 0.000 0.531 105 F N 0.720 120.672 119.950 0.003 0.000 3.051 105 F HA 0.606 5.135 4.527 0.003 0.000 0.363 105 F C 0.516 176.316 175.800 -0.000 0.000 1.257 105 F CA 0.152 58.153 58.000 0.000 0.000 1.126 105 F CB 1.079 40.078 39.000 -0.002 0.000 1.476 105 F HN 0.140 nan 8.300 nan 0.000 0.576 106 G N 3.279 111.934 108.800 -0.242 0.000 3.050 106 G HA2 0.129 4.091 3.960 0.003 0.000 0.234 106 G HA3 0.129 4.091 3.960 0.003 0.000 0.234 106 G C 0.060 174.910 174.900 -0.083 0.000 1.521 106 G CA -0.269 44.732 45.100 -0.165 0.000 1.090 106 G HN 1.243 nan 8.290 nan 0.000 0.556 107 G N -0.038 108.745 108.800 -0.029 0.000 2.372 107 G HA2 0.693 4.655 3.960 0.003 0.000 0.323 107 G HA3 0.693 4.655 3.960 0.003 0.000 0.323 107 G C 0.197 175.104 174.900 0.011 0.000 1.152 107 G CA 1.373 46.464 45.100 -0.014 0.000 0.906 107 G HN 1.351 nan 8.290 nan 0.000 0.460 108 S N 0.758 116.467 115.700 0.014 0.000 3.152 108 S HA 0.101 4.573 4.470 0.003 0.000 0.173 108 S C 2.154 176.775 174.600 0.034 0.000 0.751 108 S CA 0.569 58.787 58.200 0.030 0.000 0.933 108 S CB -0.172 63.045 63.200 0.029 0.000 0.877 108 S HN 0.262 nan 8.310 nan 0.000 0.766 109 V N 2.096 122.028 119.914 0.031 0.000 2.759 109 V HA 0.177 4.299 4.120 0.003 0.000 0.256 109 V C 0.565 176.683 176.094 0.041 0.000 1.080 109 V CA 1.344 63.664 62.300 0.033 0.000 1.101 109 V CB -0.725 31.115 31.823 0.029 0.000 0.698 109 V HN 0.346 nan 8.190 nan 0.000 0.477 110 K N -0.049 120.377 120.400 0.044 0.000 2.422 110 K HA 0.650 4.972 4.320 0.003 0.000 0.251 110 K C -1.607 175.035 176.600 0.069 0.000 0.933 110 K CA -0.772 55.553 56.287 0.065 0.000 0.798 110 K CB 2.748 35.277 32.500 0.047 0.000 1.238 110 K HN 0.012 nan 8.250 nan 0.000 0.428 111 L N 1.593 122.888 121.223 0.119 0.000 2.482 111 L HA 0.573 4.915 4.340 0.003 0.000 0.269 111 L C -1.635 175.310 176.870 0.126 0.000 0.967 111 L CA -0.241 54.645 54.840 0.077 0.000 0.851 111 L CB 1.769 43.844 42.059 0.027 0.000 1.242 111 L HN 0.729 nan 8.230 nan 0.000 0.404 112 A N 5.477 128.330 122.820 0.056 0.000 2.256 112 A HA 0.743 5.065 4.320 0.003 0.000 0.317 112 A C -1.246 176.343 177.584 0.009 0.000 1.318 112 A CA -0.332 51.760 52.037 0.091 0.000 0.894 112 A CB 0.522 19.561 19.000 0.064 0.000 1.165 112 A HN 0.709 nan 8.150 nan 0.000 0.525 113 L N 2.126 123.362 121.223 0.023 0.000 2.341 113 L HA 0.749 5.091 4.340 0.003 0.000 0.267 113 L C 0.464 177.408 176.870 0.124 0.000 1.009 113 L CA -0.077 54.731 54.840 -0.053 0.000 0.819 113 L CB 2.198 44.031 42.059 -0.378 0.000 1.323 113 L HN 0.677 nan 8.230 nan 0.000 0.425 114 A N 2.242 125.107 122.820 0.075 0.000 3.293 114 A HA 0.650 4.973 4.320 0.003 0.000 0.282 114 A C -0.216 177.443 177.584 0.126 0.000 1.394 114 A CA 0.000 52.100 52.037 0.104 0.000 1.118 114 A CB -0.266 18.759 19.000 0.041 0.000 1.133 114 A HN 0.454 nan 8.150 nan 0.000 0.627 115 S N 0.123 115.952 115.700 0.215 0.000 2.566 115 S HA 0.393 4.865 4.470 0.003 0.000 0.273 115 S C 0.228 174.975 174.600 0.244 0.000 1.157 115 S CA -0.510 57.798 58.200 0.180 0.000 0.938 115 S CB 0.976 64.239 63.200 0.105 0.000 1.087 115 S HN 0.475 nan 8.310 nan 0.000 0.474 116 L N 5.614 126.941 121.223 0.173 0.000 2.093 116 L HA 0.266 4.608 4.340 0.003 0.000 0.208 116 L C 2.339 179.201 176.870 -0.013 0.000 1.085 116 L CA 2.606 57.497 54.840 0.086 0.000 0.755 116 L CB -0.888 41.215 42.059 0.073 0.000 0.904 116 L HN 0.930 nan 8.230 nan 0.000 0.435 117 G N -1.475 107.340 108.800 0.025 0.000 2.469 117 G HA2 -0.405 3.557 3.960 0.003 0.000 0.220 117 G HA3 -0.405 3.557 3.960 0.003 0.000 0.220 117 G C 1.559 176.466 174.900 0.012 0.000 1.136 117 G CA 1.134 46.239 45.100 0.009 0.000 0.759 117 G HN 0.515 nan 8.290 nan 0.000 0.562 118 Y N 1.751 122.004 120.300 -0.078 0.000 2.200 118 Y HA -0.108 4.444 4.550 0.004 0.000 0.290 118 Y C 2.695 178.446 175.900 -0.250 0.000 1.137 118 Y CA 1.943 59.973 58.100 -0.118 0.000 1.163 118 Y CB -0.366 38.073 38.460 -0.036 0.000 0.988 118 Y HN 0.362 nan 8.280 nan 0.000 0.518 119 E N 1.145 121.124 120.200 -0.368 0.000 2.051 119 E HA -0.252 4.100 4.350 0.003 0.000 0.192 119 E C 2.064 178.370 176.600 -0.491 0.000 0.991 119 E CA 2.389 58.412 56.400 -0.629 0.000 0.799 119 E CB -0.439 28.649 29.700 -1.021 0.000 0.748 119 E HN 0.622 nan 8.360 nan 0.000 0.449 120 K N -0.146 120.077 120.400 -0.293 0.000 2.097 120 K HA -0.020 4.302 4.320 0.003 0.000 0.206 120 K C 2.261 178.855 176.600 -0.010 0.000 1.049 120 K CA 1.662 57.884 56.287 -0.107 0.000 0.933 120 K CB -0.370 32.076 32.500 -0.090 0.000 0.717 120 K HN -0.020 nan 8.250 nan 0.000 0.442 121 S N 0.765 116.375 115.700 -0.150 0.000 2.382 121 S HA -0.144 4.328 4.470 0.003 0.000 0.228 121 S C 2.122 176.556 174.600 -0.277 0.000 1.027 121 S CA 1.262 59.374 58.200 -0.147 0.000 0.991 121 S CB -0.504 62.605 63.200 -0.153 0.000 0.823 121 S HN 0.469 nan 8.310 nan 0.000 0.469 122 C N 0.954 119.852 119.300 -0.670 0.000 2.457 122 C HA 0.039 4.501 4.460 0.003 0.000 0.278 122 C C 2.640 177.258 174.990 -0.619 0.000 1.309 122 C CA 0.181 58.590 59.018 -1.016 0.000 1.735 122 C CB -1.277 24.954 27.740 -2.514 0.000 1.992 122 C HN 0.418 nan 8.230 nan 0.000 0.493 123 V N 1.083 120.778 119.914 -0.366 0.000 2.233 123 V HA -0.237 3.885 4.120 0.003 0.000 0.247 123 V C 2.393 178.506 176.094 0.031 0.000 1.050 123 V CA 2.110 64.450 62.300 0.066 0.000 1.010 123 V CB -1.012 30.970 31.823 0.266 0.000 0.637 123 V HN 0.473 nan 8.190 nan 0.000 0.444 124 L N -0.292 120.880 121.223 -0.085 0.000 2.051 124 L HA -0.240 4.102 4.340 0.003 0.000 0.214 124 L C 2.209 179.005 176.870 -0.123 0.000 1.076 124 L CA 2.162 56.830 54.840 -0.286 0.000 0.758 124 L CB -0.840 40.972 42.059 -0.413 0.000 0.890 124 L HN 0.348 nan 8.230 nan 0.000 0.433 125 F N 0.252 120.124 119.950 -0.129 0.000 2.091 125 F HA -0.299 4.230 4.527 0.003 0.000 0.299 125 F C 2.347 178.186 175.800 0.065 0.000 1.103 125 F CA 2.315 60.332 58.000 0.029 0.000 1.228 125 F CB -0.413 38.579 39.000 -0.014 0.000 0.984 125 F HN 0.275 nan 8.300 nan 0.000 0.477 126 N N -0.459 118.404 118.700 0.273 0.000 2.084 126 N HA -0.222 4.520 4.740 0.003 0.000 0.190 126 N C 1.899 177.472 175.510 0.105 0.000 1.030 126 N CA 1.519 54.715 53.050 0.243 0.000 0.849 126 N CB -0.365 38.301 38.487 0.298 0.000 1.012 126 N HN 0.335 nan 8.380 nan 0.000 0.423 127 C N 1.163 120.502 119.300 0.064 0.000 2.359 127 C HA -0.204 4.258 4.460 0.003 0.000 0.279 127 C C 2.999 178.002 174.990 0.021 0.000 1.191 127 C CA 1.064 60.120 59.018 0.062 0.000 1.764 127 C CB -1.447 26.326 27.740 0.054 0.000 2.026 127 C HN 0.515 nan 8.230 nan 0.000 0.442 128 A N 0.453 123.143 122.820 -0.217 0.000 1.958 128 A HA -0.072 4.250 4.320 0.003 0.000 0.221 128 A C 2.305 179.687 177.584 -0.337 0.000 1.178 128 A CA 2.637 54.332 52.037 -0.570 0.000 0.642 128 A CB -0.918 17.198 19.000 -1.473 0.000 0.816 128 A HN 0.744 nan 8.150 nan 0.000 0.453 129 A N -1.258 121.455 122.820 -0.177 0.000 1.968 129 A HA 0.131 4.453 4.320 0.003 0.000 0.217 129 A C 2.054 179.680 177.584 0.070 0.000 1.169 129 A CA 1.530 53.574 52.037 0.012 0.000 0.638 129 A CB -0.399 18.622 19.000 0.036 0.000 0.812 129 A HN 0.525 nan 8.150 nan 0.000 0.446 130 L N -0.209 121.045 121.223 0.051 0.000 2.044 130 L HA 0.087 4.429 4.340 0.003 0.000 0.205 130 L C 2.701 179.564 176.870 -0.013 0.000 1.075 130 L CA 1.955 56.819 54.840 0.039 0.000 0.747 130 L CB -1.184 40.900 42.059 0.042 0.000 0.903 130 L HN 0.342 nan 8.230 nan 0.000 0.435 131 A N -0.798 122.023 122.820 0.000 0.000 1.997 131 A HA -0.276 4.046 4.320 0.003 0.000 0.221 131 A C 2.434 179.993 177.584 -0.042 0.000 1.172 131 A CA 2.404 54.413 52.037 -0.046 0.000 0.645 131 A CB -0.994 18.172 19.000 0.275 0.000 0.813 131 A HN 0.678 nan 8.150 nan 0.000 0.454 132 S N -0.615 115.142 115.700 0.094 0.000 2.371 132 S HA -0.195 4.277 4.470 0.003 0.000 0.224 132 S C 1.967 176.661 174.600 0.156 0.000 1.029 132 S CA 1.135 59.475 58.200 0.233 0.000 0.978 132 S CB -0.567 62.790 63.200 0.262 0.000 0.833 132 S HN 0.701 nan 8.310 nan 0.000 0.466 133 Q N 0.543 120.393 119.800 0.083 0.000 2.084 133 Q HA -0.027 4.315 4.340 0.003 0.000 0.202 133 Q C 2.218 178.203 176.000 -0.026 0.000 0.978 133 Q CA 1.235 57.072 55.803 0.058 0.000 0.844 133 Q CB -0.416 28.357 28.738 0.057 0.000 0.898 133 Q HN 0.476 nan 8.270 nan 0.000 0.426 134 I N 0.897 121.391 120.570 -0.127 0.000 2.127 134 I HA -0.244 3.928 4.170 0.003 0.000 0.241 134 I C 2.248 178.208 176.117 -0.262 0.000 1.075 134 I CA 1.504 62.649 61.300 -0.258 0.000 1.334 134 I CB -1.421 36.238 38.000 -0.569 0.000 1.040 134 I HN 0.115 nan 8.210 nan 0.000 0.405 135 A N 0.069 122.714 122.820 -0.292 0.000 2.209 135 A HA 0.195 4.517 4.320 0.003 0.000 0.212 135 A C 2.342 179.723 177.584 -0.339 0.000 1.158 135 A CA 1.307 53.121 52.037 -0.372 0.000 0.742 135 A CB -0.421 18.167 19.000 -0.686 0.000 0.790 135 A HN 0.442 nan 8.150 nan 0.000 0.472 136 A N -0.248 122.493 122.820 -0.133 0.000 1.973 136 A HA 0.135 4.457 4.320 0.003 0.000 0.210 136 A C 1.740 179.269 177.584 -0.091 0.000 1.200 136 A CA 0.895 52.886 52.037 -0.077 0.000 0.707 136 A CB -0.164 18.910 19.000 0.122 0.000 0.862 136 A HN 0.492 nan 8.150 nan 0.000 0.461 137 E N 0.734 120.897 120.200 -0.061 0.000 2.077 137 E HA -0.130 4.222 4.350 0.003 0.000 0.193 137 E C 0.073 176.633 176.600 -0.067 0.000 0.989 137 E CA 0.499 56.875 56.400 -0.040 0.000 0.800 137 E CB -0.207 29.475 29.700 -0.029 0.000 0.746 137 E HN 0.497 nan 8.360 nan 0.000 0.452 138 Q N 1.713 121.448 119.800 -0.109 0.000 2.748 138 Q HA -0.141 4.201 4.340 0.003 0.000 0.385 138 Q C 0.101 176.045 176.000 -0.093 0.000 1.156 138 Q CA 0.445 56.180 55.803 -0.113 0.000 1.143 138 Q CB -0.140 28.501 28.738 -0.163 0.000 1.138 138 Q HN 0.214 nan 8.270 nan 0.000 0.445 139 N N 2.406 121.068 118.700 -0.064 0.000 2.497 139 N HA 0.015 4.757 4.740 0.003 0.000 0.268 139 N C -0.135 175.343 175.510 -0.054 0.000 1.171 139 N CA 0.082 53.106 53.050 -0.044 0.000 0.948 139 N CB 0.532 39.001 38.487 -0.029 0.000 1.069 139 N HN 0.445 nan 8.380 nan 0.000 0.460 140 L N 2.799 124.002 121.223 -0.033 0.000 2.910 140 L HA 0.268 4.610 4.340 0.003 0.000 0.252 140 L C 0.378 177.239 176.870 -0.015 0.000 1.195 140 L CA -0.060 54.764 54.840 -0.028 0.000 1.003 140 L CB 0.396 42.459 42.059 0.007 0.000 1.328 140 L HN 0.480 nan 8.230 nan 0.000 0.540 141 D N -1.328 119.060 120.400 -0.019 0.000 2.566 141 D HA -0.039 4.603 4.640 0.003 0.000 0.253 141 D C 0.858 177.137 176.300 -0.034 0.000 0.992 141 D CA -0.026 53.962 54.000 -0.021 0.000 0.940 141 D CB -0.041 40.752 40.800 -0.010 0.000 1.095 141 D HN 0.133 nan 8.370 nan 0.000 0.480 142 N N 1.485 120.164 118.700 -0.034 0.000 2.357 142 N HA -0.133 4.609 4.740 0.003 0.000 0.257 142 N C 0.309 175.786 175.510 -0.054 0.000 1.250 142 N CA 0.524 53.550 53.050 -0.040 0.000 0.862 142 N CB 0.674 39.138 38.487 -0.038 0.000 1.066 142 N HN -0.074 nan 8.380 nan 0.000 0.468 143 D N 1.855 122.220 120.400 -0.058 0.000 2.323 143 D HA -0.084 4.558 4.640 0.003 0.000 0.209 143 D C 0.538 176.790 176.300 -0.080 0.000 0.973 143 D CA 0.532 54.488 54.000 -0.073 0.000 0.874 143 D CB 0.382 41.141 40.800 -0.068 0.000 0.930 143 D HN 0.713 nan 8.370 nan 0.000 0.521 144 E N -0.428 119.731 120.200 -0.069 0.000 2.371 144 E HA 0.056 4.408 4.350 0.003 0.000 0.194 144 E C 1.824 178.377 176.600 -0.078 0.000 1.012 144 E CA 0.531 56.888 56.400 -0.072 0.000 0.860 144 E CB -0.162 29.503 29.700 -0.059 0.000 0.811 144 E HN 0.260 nan 8.360 nan 0.000 0.502 145 G N 0.849 109.604 108.800 -0.076 0.000 2.414 145 G HA2 -0.197 3.765 3.960 0.003 0.000 0.215 145 G HA3 -0.197 3.765 3.960 0.003 0.000 0.215 145 G C 1.247 176.086 174.900 -0.103 0.000 1.188 145 G CA 0.716 45.766 45.100 -0.082 0.000 0.783 145 G HN 0.174 nan 8.290 nan 0.000 0.537 146 L N 1.202 122.360 121.223 -0.107 0.000 1.951 146 L HA -0.161 4.181 4.340 0.003 0.000 0.222 146 L C 2.768 179.554 176.870 -0.141 0.000 1.078 146 L CA 2.022 56.785 54.840 -0.128 0.000 0.778 146 L CB -1.451 40.518 42.059 -0.151 0.000 0.893 146 L HN 0.294 nan 8.230 nan 0.000 0.436 147 K N -0.221 120.093 120.400 -0.143 0.000 2.163 147 K HA -0.236 4.086 4.320 0.003 0.000 0.210 147 K C 1.877 178.403 176.600 -0.123 0.000 1.048 147 K CA 2.055 58.264 56.287 -0.131 0.000 0.928 147 K CB -0.474 31.958 32.500 -0.113 0.000 0.716 147 K HN 0.481 nan 8.250 nan 0.000 0.459 148 I N -0.790 119.708 120.570 -0.120 0.000 2.406 148 I HA -0.085 4.087 4.170 0.003 0.000 0.249 148 I C 2.544 178.605 176.117 -0.093 0.000 1.122 148 I CA 0.764 61.994 61.300 -0.117 0.000 1.431 148 I CB -0.680 37.286 38.000 -0.056 0.000 1.087 148 I HN -0.006 nan 8.210 nan 0.000 0.424 149 A N 2.102 124.833 122.820 -0.149 0.000 1.829 149 A HA -0.162 4.160 4.320 0.003 0.000 0.216 149 A C 2.663 180.090 177.584 -0.262 0.000 1.207 149 A CA 2.479 54.329 52.037 -0.311 0.000 0.622 149 A CB -1.307 17.494 19.000 -0.332 0.000 0.846 149 A HN 0.452 nan 8.150 nan 0.000 0.447 150 A N -0.541 122.233 122.820 -0.077 0.000 1.971 150 A HA -0.298 4.024 4.320 0.003 0.000 0.222 150 A C 2.178 179.824 177.584 0.104 0.000 1.182 150 A CA 2.509 54.627 52.037 0.135 0.000 0.649 150 A CB -0.568 18.569 19.000 0.228 0.000 0.818 150 A HN 0.587 nan 8.150 nan 0.000 0.458 151 K N -1.708 118.674 120.400 -0.030 0.000 2.062 151 K HA -0.170 4.152 4.320 0.003 0.000 0.205 151 K C 1.962 178.523 176.600 -0.064 0.000 1.051 151 K CA 1.328 57.565 56.287 -0.083 0.000 0.941 151 K CB -0.322 32.037 32.500 -0.234 0.000 0.719 151 K HN 0.659 nan 8.250 nan 0.000 0.440 152 H N -0.348 118.695 119.070 -0.045 0.000 2.307 152 H HA -0.095 4.463 4.556 0.003 0.000 0.303 152 H C 2.064 177.487 175.328 0.158 0.000 1.073 152 H CA 1.556 57.601 56.048 -0.005 0.000 1.338 152 H CB -0.594 29.085 29.762 -0.138 0.000 1.389 152 H HN 0.293 nan 8.280 nan 0.000 0.503 153 Y N 1.246 121.666 120.300 0.200 0.000 2.006 153 Y HA -0.374 4.178 4.550 0.003 0.000 0.266 153 Y C 3.060 178.998 175.900 0.063 0.000 1.133 153 Y CA 1.096 59.268 58.100 0.120 0.000 1.098 153 Y CB -0.428 38.101 38.460 0.114 0.000 0.969 153 Y HN 0.175 nan 8.280 nan 0.000 0.482 154 Q N -0.419 119.532 119.800 0.252 0.000 2.250 154 Q HA -0.318 4.024 4.340 0.003 0.000 0.215 154 Q C 1.926 177.970 176.000 0.074 0.000 1.002 154 Q CA 2.614 58.482 55.803 0.107 0.000 0.910 154 Q CB -0.466 28.333 28.738 0.101 0.000 0.939 154 Q HN 0.544 nan 8.270 nan 0.000 0.416 155 F N -0.475 119.469 119.950 -0.011 0.000 2.098 155 F HA -0.023 4.506 4.527 0.003 0.000 0.294 155 F C 1.948 177.664 175.800 -0.140 0.000 1.107 155 F CA 1.256 59.213 58.000 -0.072 0.000 1.234 155 F CB -0.721 38.241 39.000 -0.063 0.000 1.002 155 F HN 0.080 nan 8.300 nan 0.000 0.472 156 A N -0.085 122.632 122.820 -0.171 0.000 1.873 156 A HA -0.273 4.049 4.320 0.003 0.000 0.218 156 A C 2.397 179.631 177.584 -0.583 0.000 1.193 156 A CA 2.436 54.177 52.037 -0.494 0.000 0.629 156 A CB -1.703 17.226 19.000 -0.118 0.000 0.826 156 A HN 0.549 nan 8.150 nan 0.000 0.447 157 S N -0.510 115.072 115.700 -0.196 0.000 2.368 157 S HA -0.140 4.332 4.470 0.003 0.000 0.226 157 S C 2.065 176.567 174.600 -0.164 0.000 1.044 157 S CA 2.311 60.458 58.200 -0.089 0.000 1.062 157 S CB -0.968 62.184 63.200 -0.080 0.000 0.931 157 S HN 0.814 nan 8.310 nan 0.000 0.440 158 G N 0.299 108.945 108.800 -0.256 0.000 2.422 158 G HA2 0.147 4.109 3.960 0.003 0.000 0.218 158 G HA3 0.147 4.109 3.960 0.003 0.000 0.218 158 G C 1.699 176.389 174.900 -0.351 0.000 1.140 158 G CA 0.886 45.839 45.100 -0.244 0.000 0.775 158 G HN 0.781 nan 8.290 nan 0.000 0.545 159 A N 0.633 123.039 122.820 -0.688 0.000 1.902 159 A HA 0.116 4.438 4.320 0.003 0.000 0.217 159 A C 2.149 179.470 177.584 -0.438 0.000 1.181 159 A CA 1.172 52.740 52.037 -0.781 0.000 0.623 159 A CB -0.523 17.734 19.000 -1.238 0.000 0.818 159 A HN 0.360 nan 8.150 nan 0.000 0.443 160 F N -0.935 118.872 119.950 -0.239 0.000 2.022 160 F HA -0.130 4.399 4.527 0.003 0.000 0.293 160 F C 2.122 177.876 175.800 -0.076 0.000 1.142 160 F CA 0.967 58.885 58.000 -0.137 0.000 1.177 160 F CB -0.584 38.339 39.000 -0.128 0.000 0.982 160 F HN 0.228 nan 8.300 nan 0.000 0.473 161 L N 0.336 121.633 121.223 0.123 0.000 2.283 161 L HA -0.310 4.032 4.340 0.003 0.000 0.217 161 L C 2.178 179.079 176.870 0.051 0.000 1.104 161 L CA 1.940 56.816 54.840 0.059 0.000 0.772 161 L CB -0.958 41.114 42.059 0.021 0.000 0.899 161 L HN 0.247 nan 8.230 nan 0.000 0.439 162 H N -1.542 117.498 119.070 -0.050 0.000 2.470 162 H HA -0.005 4.553 4.556 0.003 0.000 0.289 162 H C 2.103 177.421 175.328 -0.016 0.000 1.033 162 H CA 1.600 57.619 56.048 -0.049 0.000 1.331 162 H CB 0.041 29.747 29.762 -0.095 0.000 1.414 162 H HN 0.424 nan 8.280 nan 0.000 0.545 163 I N 0.418 120.976 120.570 -0.021 0.000 2.163 163 I HA -0.264 3.908 4.170 0.003 0.000 0.240 163 I C 2.636 178.728 176.117 -0.042 0.000 1.081 163 I CA 1.327 62.610 61.300 -0.027 0.000 1.353 163 I CB -0.319 37.746 38.000 0.110 0.000 1.054 163 I HN 0.267 nan 8.210 nan 0.000 0.407 164 K N 1.099 121.502 120.400 0.005 0.000 2.071 164 K HA -0.310 4.012 4.320 0.003 0.000 0.217 164 K C 1.637 178.212 176.600 -0.041 0.000 1.054 164 K CA 2.278 58.563 56.287 -0.004 0.000 0.937 164 K CB -0.205 32.301 32.500 0.010 0.000 0.719 164 K HN 0.168 nan 8.250 nan 0.000 0.454 165 E N -0.689 119.465 120.200 -0.077 0.000 2.463 165 E HA -0.011 4.341 4.350 0.003 0.000 0.191 165 E C 0.704 177.221 176.600 -0.140 0.000 1.083 165 E CA 0.386 56.732 56.400 -0.089 0.000 0.872 165 E CB 0.351 30.008 29.700 -0.072 0.000 0.966 165 E HN 0.284 nan 8.360 nan 0.000 0.491 166 T N -2.092 112.362 114.554 -0.167 0.000 2.969 166 T HA 0.050 4.402 4.350 0.003 0.000 0.258 166 T C 1.383 176.033 174.700 -0.083 0.000 0.962 166 T CA 0.702 62.699 62.100 -0.172 0.000 0.903 166 T CB 0.189 68.863 68.868 -0.323 0.000 1.177 166 T HN 0.086 nan 8.240 nan 0.000 0.511 167 V N 1.008 120.890 119.914 -0.053 0.000 2.221 167 V HA 0.055 4.177 4.120 0.003 0.000 0.240 167 V C 2.378 178.467 176.094 -0.008 0.000 1.041 167 V CA 1.343 63.634 62.300 -0.014 0.000 0.991 167 V CB -1.380 30.446 31.823 0.006 0.000 0.634 167 V HN 0.340 nan 8.190 nan 0.000 0.450 168 L N 0.771 121.988 121.223 -0.010 0.000 2.089 168 L HA -0.198 4.144 4.340 0.003 0.000 0.213 168 L C 2.686 179.547 176.870 -0.014 0.000 1.079 168 L CA 2.154 56.988 54.840 -0.009 0.000 0.758 168 L CB -0.457 41.596 42.059 -0.009 0.000 0.891 168 L HN 0.414 nan 8.230 nan 0.000 0.433 169 S N -1.399 114.289 115.700 -0.020 0.000 2.489 169 S HA 0.054 4.526 4.470 0.003 0.000 0.228 169 S C 1.682 176.269 174.600 -0.022 0.000 0.995 169 S CA 0.837 59.023 58.200 -0.022 0.000 0.934 169 S CB 0.162 63.346 63.200 -0.027 0.000 0.771 169 S HN 0.537 nan 8.310 nan 0.000 0.522 170 A N -0.247 122.563 122.820 -0.017 0.000 2.211 170 A HA 0.487 4.809 4.320 0.003 0.000 0.208 170 A C 0.969 178.553 177.584 0.000 0.000 1.250 170 A CA -0.118 51.912 52.037 -0.012 0.000 0.935 170 A CB -0.001 18.992 19.000 -0.012 0.000 0.982 170 A HN 0.266 nan 8.150 nan 0.000 0.490 171 L N -1.111 120.116 121.223 0.008 0.000 2.615 171 L HA 0.286 4.628 4.340 0.003 0.000 0.155 171 L C 1.968 178.833 176.870 -0.008 0.000 1.194 171 L CA 1.736 56.585 54.840 0.015 0.000 1.826 171 L CB -0.038 42.029 42.059 0.014 0.000 2.324 171 L HN 0.177 nan 8.230 nan 0.000 0.520 172 S N -2.646 113.040 115.700 -0.024 0.000 2.733 172 S HA 0.340 4.812 4.470 0.003 0.000 0.270 172 S C 0.034 174.612 174.600 -0.036 0.000 1.062 172 S CA -0.130 58.052 58.200 -0.029 0.000 1.256 172 S CB 0.112 63.295 63.200 -0.028 0.000 1.187 172 S HN 0.633 nan 8.310 nan 0.000 0.666 173 R N 0.025 120.498 120.500 -0.044 0.000 3.034 173 R HA 0.485 4.827 4.340 0.003 0.000 0.264 173 R C -1.387 174.891 176.300 -0.036 0.000 1.030 173 R CA -0.896 55.180 56.100 -0.039 0.000 0.903 173 R CB 0.135 30.407 30.300 -0.047 0.000 1.414 173 R HN 0.060 nan 8.270 nan 0.000 0.429 174 E N 1.790 121.973 120.200 -0.028 0.000 2.360 174 E HA 0.265 4.617 4.350 0.003 0.000 0.269 174 E C -1.906 174.680 176.600 -0.024 0.000 1.022 174 E CA -1.801 54.590 56.400 -0.016 0.000 0.887 174 E CB 0.934 30.632 29.700 -0.003 0.000 0.990 174 E HN 0.332 nan 8.360 nan 0.000 0.426 175 P HA 0.100 nan 4.420 nan 0.000 0.283 175 P C -0.404 176.908 177.300 0.021 0.000 1.271 175 P CA -0.618 62.485 63.100 0.006 0.000 0.841 175 P CB 1.231 32.953 31.700 0.036 0.000 1.122 176 T N -0.572 114.006 114.554 0.041 0.000 2.734 176 T HA 0.059 4.411 4.350 0.003 0.000 0.314 176 T C 1.603 176.322 174.700 0.031 0.000 1.057 176 T CA -0.308 61.816 62.100 0.041 0.000 1.047 176 T CB 0.020 68.925 68.868 0.062 0.000 0.991 176 T HN 0.125 nan 8.240 nan 0.000 0.540 177 V N 2.615 122.551 119.914 0.037 0.000 2.287 177 V HA -0.190 3.932 4.120 0.003 0.000 0.248 177 V C 2.437 178.572 176.094 0.068 0.000 1.053 177 V CA 2.409 64.744 62.300 0.058 0.000 1.027 177 V CB -1.079 30.795 31.823 0.085 0.000 0.646 177 V HN 0.987 nan 8.190 nan 0.000 0.447 178 D N 1.767 122.192 120.400 0.042 0.000 2.183 178 D HA -0.156 4.486 4.640 0.003 0.000 0.203 178 D C 1.643 177.959 176.300 0.027 0.000 0.969 178 D CA 1.559 55.599 54.000 0.066 0.000 0.842 178 D CB -0.656 40.039 40.800 -0.177 0.000 0.957 178 D HN 0.667 nan 8.370 nan 0.000 0.484 179 I N -1.243 119.304 120.570 -0.039 0.000 3.855 179 I HA 0.236 4.408 4.170 0.003 0.000 0.327 179 I C 0.224 176.363 176.117 0.037 0.000 1.359 179 I CA -0.637 60.667 61.300 0.007 0.000 1.142 179 I CB -0.247 37.724 38.000 -0.049 0.000 1.041 179 I HN -0.036 nan 8.210 nan 0.000 0.403 180 S N 0.753 116.476 115.700 0.038 0.000 2.537 180 S HA 0.456 4.928 4.470 0.003 0.000 0.275 180 S C -1.472 173.144 174.600 0.027 0.000 1.272 180 S CA -1.086 57.132 58.200 0.030 0.000 1.050 180 S CB 1.282 64.498 63.200 0.027 0.000 0.961 180 S HN -0.042 nan 8.310 nan 0.000 0.496 181 P HA -0.200 nan 4.420 nan 0.000 0.219 181 P C 0.988 178.293 177.300 0.008 0.000 1.151 181 P CA 1.400 64.506 63.100 0.011 0.000 0.850 181 P CB 0.051 31.753 31.700 0.003 0.000 0.784 182 D N -1.867 118.537 120.400 0.007 0.000 2.149 182 D HA -0.079 4.563 4.640 0.003 0.000 0.201 182 D C 1.508 177.805 176.300 -0.004 0.000 0.972 182 D CA 1.255 55.255 54.000 0.001 0.000 0.835 182 D CB 0.132 40.933 40.800 0.002 0.000 0.966 182 D HN 0.140 nan 8.370 nan 0.000 0.476 183 T N 0.246 114.804 114.554 0.007 0.000 2.643 183 T HA -0.085 4.267 4.350 0.003 0.000 0.256 183 T C 2.178 176.861 174.700 -0.028 0.000 1.061 183 T CA 0.579 62.681 62.100 0.004 0.000 1.163 183 T CB -0.610 68.291 68.868 0.055 0.000 0.865 183 T HN -0.089 nan 8.240 nan 0.000 0.407 184 V N 1.686 121.595 119.914 -0.009 0.000 2.252 184 V HA -0.195 3.927 4.120 0.003 0.000 0.249 184 V C 2.886 178.950 176.094 -0.050 0.000 1.056 184 V CA 2.256 64.519 62.300 -0.062 0.000 1.022 184 V CB -1.412 30.445 31.823 0.057 0.000 0.641 184 V HN 0.726 nan 8.190 nan 0.000 0.445 185 G N -1.262 107.534 108.800 -0.007 0.000 2.581 185 G HA2 -0.299 3.663 3.960 0.003 0.000 0.223 185 G HA3 -0.299 3.663 3.960 0.003 0.000 0.223 185 G C 1.553 176.439 174.900 -0.024 0.000 1.094 185 G CA 1.800 46.897 45.100 -0.005 0.000 0.736 185 G HN 0.541 nan 8.290 nan 0.000 0.588 186 T N 0.383 114.909 114.554 -0.047 0.000 2.983 186 T HA 0.174 4.527 4.350 0.003 0.000 0.250 186 T C 2.398 177.047 174.700 -0.084 0.000 1.037 186 T CA 0.219 62.286 62.100 -0.054 0.000 1.142 186 T CB -0.035 68.804 68.868 -0.049 0.000 0.876 186 T HN 0.146 nan 8.240 nan 0.000 0.455 187 L N 1.483 122.614 121.223 -0.153 0.000 1.976 187 L HA -0.146 4.196 4.340 0.003 0.000 0.209 187 L C 2.921 179.756 176.870 -0.057 0.000 1.071 187 L CA 1.538 56.242 54.840 -0.228 0.000 0.746 187 L CB -0.732 40.931 42.059 -0.660 0.000 0.890 187 L HN 0.345 nan 8.230 nan 0.000 0.432 188 S N -0.016 115.711 115.700 0.046 0.000 2.421 188 S HA -0.281 4.191 4.470 0.003 0.000 0.239 188 S C 1.936 176.526 174.600 -0.017 0.000 1.054 188 S CA 1.668 59.954 58.200 0.143 0.000 1.035 188 S CB -0.374 62.889 63.200 0.104 0.000 0.840 188 S HN 0.422 nan 8.310 nan 0.000 0.475 189 L N -0.242 120.942 121.223 -0.065 0.000 2.270 189 L HA 0.185 4.527 4.340 0.003 0.000 0.210 189 L C 2.135 178.879 176.870 -0.210 0.000 1.104 189 L CA 0.868 55.626 54.840 -0.137 0.000 0.804 189 L CB -0.245 41.770 42.059 -0.073 0.000 0.937 189 L HN 0.419 nan 8.230 nan 0.000 0.450 190 I N -0.912 119.575 120.570 -0.139 0.000 2.277 190 I HA -0.264 3.908 4.170 0.003 0.000 0.243 190 I C 2.467 178.453 176.117 -0.219 0.000 1.094 190 I CA 0.646 61.857 61.300 -0.148 0.000 1.393 190 I CB -0.148 37.825 38.000 -0.045 0.000 1.078 190 I HN 0.166 nan 8.210 nan 0.000 0.417 191 M N 0.164 119.676 119.600 -0.147 0.000 2.163 191 M HA -0.282 4.200 4.480 0.003 0.000 0.258 191 M C 2.482 178.627 176.300 -0.259 0.000 1.071 191 M CA 1.920 57.100 55.300 -0.201 0.000 1.093 191 M CB -1.574 31.030 32.600 0.006 0.000 1.285 191 M HN 0.198 nan 8.290 nan 0.000 0.420 192 L N 0.076 121.149 121.223 -0.251 0.000 2.034 192 L HA -0.266 4.076 4.340 0.003 0.000 0.217 192 L C 2.438 178.975 176.870 -0.555 0.000 1.077 192 L CA 2.331 56.939 54.840 -0.385 0.000 0.769 192 L CB -0.654 41.103 42.059 -0.504 0.000 0.890 192 L HN 0.379 nan 8.230 nan 0.000 0.435 193 A N -1.745 120.666 122.820 -0.682 0.000 1.969 193 A HA -0.224 4.098 4.320 0.003 0.000 0.218 193 A C 2.157 179.420 177.584 -0.534 0.000 1.169 193 A CA 1.650 53.196 52.037 -0.819 0.000 0.635 193 A CB -0.432 17.782 19.000 -1.311 0.000 0.810 193 A HN 0.653 nan 8.150 nan 0.000 0.445 194 Q N -0.667 118.927 119.800 -0.344 0.000 2.083 194 Q HA -0.042 4.300 4.340 0.003 0.000 0.198 194 Q C 2.518 178.654 176.000 0.226 0.000 0.969 194 Q CA 1.010 56.780 55.803 -0.055 0.000 0.838 194 Q CB -0.380 28.131 28.738 -0.378 0.000 0.900 194 Q HN 0.662 nan 8.270 nan 0.000 0.436 195 A N 1.556 124.500 122.820 0.207 0.000 1.852 195 A HA -0.350 3.972 4.320 0.003 0.000 0.217 195 A C 2.059 179.858 177.584 0.358 0.000 1.215 195 A CA 2.147 54.438 52.037 0.423 0.000 0.641 195 A CB -1.054 18.085 19.000 0.233 0.000 0.838 195 A HN 0.347 nan 8.150 nan 0.000 0.450 196 Q N -0.184 119.690 119.800 0.123 0.000 2.315 196 Q HA -0.268 4.074 4.340 0.003 0.000 0.213 196 Q C 1.818 178.022 176.000 0.340 0.000 0.994 196 Q CA 2.477 58.373 55.803 0.155 0.000 0.906 196 Q CB -0.413 28.390 28.738 0.108 0.000 0.918 196 Q HN 0.800 nan 8.270 nan 0.000 0.427 197 E N -1.335 119.086 120.200 0.368 0.000 2.047 197 E HA -0.154 4.198 4.350 0.003 0.000 0.191 197 E C 1.803 178.733 176.600 0.549 0.000 0.987 197 E CA 1.383 58.057 56.400 0.457 0.000 0.799 197 E CB 0.046 30.036 29.700 0.484 0.000 0.752 197 E HN 0.319 nan 8.360 nan 0.000 0.449 198 V N 0.880 121.108 119.914 0.524 0.000 2.231 198 V HA -0.300 3.822 4.120 0.003 0.000 0.248 198 V C 2.139 178.399 176.094 0.276 0.000 1.054 198 V CA 2.102 64.626 62.300 0.373 0.000 1.015 198 V CB -0.783 31.212 31.823 0.286 0.000 0.638 198 V HN 0.284 nan 8.190 nan 0.000 0.444 199 F N -0.104 119.947 119.950 0.168 0.000 2.147 199 F HA -0.258 4.272 4.527 0.004 0.000 0.301 199 F C 2.189 178.060 175.800 0.118 0.000 1.084 199 F CA 2.151 60.219 58.000 0.115 0.000 1.268 199 F CB -1.030 38.037 39.000 0.111 0.000 1.009 199 F HN 0.250 nan 8.300 nan 0.000 0.486 200 F N -0.162 119.941 119.950 0.255 0.000 2.134 200 F HA -0.175 4.354 4.527 0.003 0.000 0.299 200 F C 1.957 177.816 175.800 0.100 0.000 1.097 200 F CA 1.257 59.348 58.000 0.152 0.000 1.264 200 F CB -0.533 38.562 39.000 0.159 0.000 1.001 200 F HN -0.101 nan 8.300 nan 0.000 0.479 201 L N 0.992 122.148 121.223 -0.112 0.000 2.072 201 L HA -0.092 4.250 4.340 0.003 0.000 0.205 201 L C 2.434 179.164 176.870 -0.233 0.000 1.079 201 L CA 1.793 56.490 54.840 -0.238 0.000 0.752 201 L CB -1.436 40.677 42.059 0.090 0.000 0.906 201 L HN 0.259 nan 8.230 nan 0.000 0.436 202 K N -0.316 119.988 120.400 -0.161 0.000 1.968 202 K HA -0.217 4.105 4.320 0.003 0.000 0.222 202 K C 1.986 178.480 176.600 -0.177 0.000 1.043 202 K CA 1.918 58.100 56.287 -0.174 0.000 0.991 202 K CB -0.499 31.864 32.500 -0.228 0.000 0.744 202 K HN 0.207 nan 8.250 nan 0.000 0.445 203 A N 0.041 122.774 122.820 -0.146 0.000 2.067 203 A HA -0.327 3.995 4.320 0.003 0.000 0.226 203 A C 2.271 179.730 177.584 -0.209 0.000 1.246 203 A CA 2.802 54.757 52.037 -0.136 0.000 0.689 203 A CB -1.555 17.397 19.000 -0.080 0.000 0.826 203 A HN 0.654 nan 8.150 nan 0.000 0.497 204 T N -2.192 112.171 114.554 -0.317 0.000 2.851 204 T HA -0.020 4.332 4.350 0.003 0.000 0.262 204 T C 2.076 176.662 174.700 -0.190 0.000 1.043 204 T CA 1.211 63.111 62.100 -0.333 0.000 1.140 204 T CB -0.128 68.391 68.868 -0.581 0.000 0.872 204 T HN 0.570 nan 8.240 nan 0.000 0.446 205 R N 0.823 121.221 120.500 -0.170 0.000 2.066 205 R HA -0.068 4.274 4.340 0.003 0.000 0.232 205 R C 0.941 177.187 176.300 -0.089 0.000 1.131 205 R CA 1.577 57.610 56.100 -0.111 0.000 0.955 205 R CB -0.090 30.147 30.300 -0.105 0.000 0.851 205 R HN 0.245 nan 8.270 nan 0.000 0.432 206 D N 1.110 121.452 120.400 -0.096 0.000 2.346 206 D HA -0.019 4.623 4.640 0.003 0.000 0.248 206 D C -0.214 176.043 176.300 -0.071 0.000 1.173 206 D CA 0.421 54.376 54.000 -0.076 0.000 0.878 206 D CB -0.146 40.609 40.800 -0.075 0.000 0.919 206 D HN 0.158 nan 8.370 nan 0.000 0.513 207 K N -0.152 120.202 120.400 -0.077 0.000 3.100 207 K HA -0.242 4.080 4.320 0.003 0.000 0.261 207 K C 0.428 176.986 176.600 -0.070 0.000 0.920 207 K CA 0.305 56.553 56.287 -0.065 0.000 0.683 207 K CB -1.354 31.122 32.500 -0.040 0.000 1.349 207 K HN 0.372 nan 8.250 nan 0.000 0.473 208 M N 0.764 120.309 119.600 -0.091 0.000 1.876 208 M HA 0.035 4.517 4.480 0.003 0.000 0.216 208 M C 0.850 177.097 176.300 -0.089 0.000 1.334 208 M CA 0.444 55.695 55.300 -0.082 0.000 0.951 208 M CB 0.181 32.731 32.600 -0.084 0.000 1.271 208 M HN 0.008 nan 8.290 nan 0.000 0.414 209 K N 1.560 121.916 120.400 -0.074 0.000 2.412 209 K HA -0.025 4.297 4.320 0.003 0.000 0.281 209 K C 0.112 176.654 176.600 -0.097 0.000 1.027 209 K CA -0.182 56.064 56.287 -0.070 0.000 0.989 209 K CB 0.342 32.811 32.500 -0.051 0.000 0.935 209 K HN 0.478 nan 8.250 nan 0.000 0.475 210 D N 2.324 122.673 120.400 -0.086 0.000 2.218 210 D HA -0.141 4.501 4.640 0.003 0.000 0.204 210 D C 1.674 177.935 176.300 -0.065 0.000 0.976 210 D CA 1.015 54.959 54.000 -0.093 0.000 0.853 210 D CB 0.129 40.922 40.800 -0.012 0.000 0.939 210 D HN 0.655 nan 8.370 nan 0.000 0.481 211 A N 0.924 123.714 122.820 -0.050 0.000 1.851 211 A HA -0.183 4.139 4.320 0.003 0.000 0.216 211 A C 2.257 179.822 177.584 -0.032 0.000 1.195 211 A CA 1.122 53.140 52.037 -0.032 0.000 0.622 211 A CB -0.809 18.172 19.000 -0.032 0.000 0.831 211 A HN 0.144 nan 8.150 nan 0.000 0.444 212 I N 0.104 120.648 120.570 -0.043 0.000 2.335 212 I HA -0.261 3.911 4.170 0.003 0.000 0.251 212 I C 2.233 178.336 176.117 -0.024 0.000 1.129 212 I CA 1.146 62.430 61.300 -0.027 0.000 1.402 212 I CB -0.279 37.705 38.000 -0.026 0.000 1.069 212 I HN 0.346 nan 8.210 nan 0.000 0.424 213 I N -0.075 120.436 120.570 -0.099 0.000 2.202 213 I HA -0.296 3.876 4.170 0.003 0.000 0.242 213 I C 2.679 178.835 176.117 0.065 0.000 1.091 213 I CA 1.134 62.367 61.300 -0.111 0.000 1.368 213 I CB -0.642 37.042 38.000 -0.527 0.000 1.058 213 I HN 0.215 nan 8.210 nan 0.000 0.410 214 A N 1.431 124.279 122.820 0.047 0.000 1.836 214 A HA -0.288 4.034 4.320 0.003 0.000 0.215 214 A C 2.266 179.891 177.584 0.070 0.000 1.214 214 A CA 2.074 54.179 52.037 0.114 0.000 0.636 214 A CB -0.846 18.203 19.000 0.081 0.000 0.847 214 A HN 0.290 nan 8.150 nan 0.000 0.451 215 K N -0.712 119.707 120.400 0.032 0.000 2.207 215 K HA -0.210 4.112 4.320 0.003 0.000 0.208 215 K C 1.878 178.496 176.600 0.030 0.000 1.046 215 K CA 1.636 57.931 56.287 0.014 0.000 0.929 215 K CB -0.495 32.007 32.500 0.003 0.000 0.720 215 K HN 0.517 nan 8.250 nan 0.000 0.463 216 L N -0.399 120.873 121.223 0.081 0.000 2.162 216 L HA -0.069 4.273 4.340 0.003 0.000 0.205 216 L C 2.552 179.510 176.870 0.147 0.000 1.086 216 L CA 0.746 55.664 54.840 0.130 0.000 0.778 216 L CB -0.503 41.675 42.059 0.198 0.000 0.928 216 L HN 0.180 nan 8.230 nan 0.000 0.446 217 A N 0.296 123.206 122.820 0.150 0.000 1.877 217 A HA -0.241 4.081 4.320 0.003 0.000 0.216 217 A C 2.054 179.594 177.584 -0.073 0.000 1.186 217 A CA 1.891 53.903 52.037 -0.042 0.000 0.620 217 A CB -0.660 18.294 19.000 -0.076 0.000 0.822 217 A HN 0.415 nan 8.150 nan 0.000 0.443 218 N N -0.133 118.542 118.700 -0.043 0.000 1.997 218 N HA -0.251 4.491 4.740 0.003 0.000 0.198 218 N C 1.891 177.346 175.510 -0.091 0.000 1.063 218 N CA 2.119 55.122 53.050 -0.078 0.000 0.860 218 N CB -0.633 37.816 38.487 -0.064 0.000 1.063 218 N HN 0.459 nan 8.380 nan 0.000 0.424 219 Q N 0.389 120.133 119.800 -0.093 0.000 2.315 219 Q HA -0.149 4.193 4.340 0.003 0.000 0.213 219 Q C 1.618 177.526 176.000 -0.152 0.000 0.994 219 Q CA 2.224 57.919 55.803 -0.180 0.000 0.906 219 Q CB -0.637 28.011 28.738 -0.150 0.000 0.918 219 Q HN 0.462 nan 8.270 nan 0.000 0.427 220 A N -0.038 122.787 122.820 0.009 0.000 1.872 220 A HA 0.113 4.435 4.320 0.003 0.000 0.214 220 A C 2.298 179.955 177.584 0.122 0.000 1.187 220 A CA 1.630 53.734 52.037 0.112 0.000 0.614 220 A CB -1.304 17.784 19.000 0.147 0.000 0.826 220 A HN 0.576 nan 8.150 nan 0.000 0.442 221 A N 0.507 123.355 122.820 0.047 0.000 1.842 221 A HA -0.280 4.042 4.320 0.003 0.000 0.217 221 A C 1.666 179.275 177.584 0.042 0.000 1.206 221 A CA 2.204 54.213 52.037 -0.047 0.000 0.630 221 A CB -1.180 17.617 19.000 -0.338 0.000 0.839 221 A HN 0.506 nan 8.150 nan 0.000 0.447 222 D N -2.489 117.879 120.400 -0.053 0.000 2.417 222 D HA -0.115 4.527 4.640 0.003 0.000 0.253 222 D C 0.805 177.044 176.300 -0.102 0.000 1.171 222 D CA 0.901 54.868 54.000 -0.055 0.000 0.984 222 D CB -0.375 40.332 40.800 -0.154 0.000 0.893 222 D HN 0.702 nan 8.370 nan 0.000 0.516 223 Y N -2.274 117.999 120.300 -0.045 0.000 2.701 223 Y HA 0.120 4.672 4.550 0.003 0.000 0.275 223 Y C 1.419 177.233 175.900 -0.145 0.000 1.133 223 Y CA -0.490 57.517 58.100 -0.156 0.000 1.241 223 Y CB 0.126 38.392 38.460 -0.324 0.000 1.389 223 Y HN -0.057 nan 8.280 nan 0.000 0.486 224 F N 0.176 120.228 119.950 0.170 0.000 2.134 224 F HA -0.127 4.402 4.527 0.003 0.000 0.299 224 F C 2.494 178.344 175.800 0.084 0.000 1.097 224 F CA 1.291 59.337 58.000 0.077 0.000 1.264 224 F CB -0.910 38.103 39.000 0.022 0.000 1.001 224 F HN 0.065 nan 8.300 nan 0.000 0.479 225 G N 0.510 109.563 108.800 0.423 0.000 2.719 225 G HA2 -0.360 3.602 3.960 0.003 0.000 0.219 225 G HA3 -0.360 3.602 3.960 0.003 0.000 0.219 225 G C 1.143 176.107 174.900 0.107 0.000 1.234 225 G CA 1.730 46.924 45.100 0.157 0.000 0.788 225 G HN 0.255 nan 8.290 nan 0.000 0.619 226 D N 0.726 121.192 120.400 0.110 0.000 2.309 226 D HA 0.087 4.729 4.640 0.003 0.000 0.212 226 D C 2.520 178.860 176.300 0.067 0.000 0.968 226 D CA 1.029 55.074 54.000 0.075 0.000 0.882 226 D CB -0.258 40.586 40.800 0.074 0.000 0.918 226 D HN 0.375 nan 8.370 nan 0.000 0.503 227 A N -0.629 122.245 122.820 0.090 0.000 2.030 227 A HA 0.018 4.340 4.320 0.003 0.000 0.215 227 A C 1.802 179.428 177.584 0.070 0.000 1.164 227 A CA 0.096 52.169 52.037 0.059 0.000 0.697 227 A CB -0.460 18.573 19.000 0.054 0.000 0.827 227 A HN 0.138 nan 8.150 nan 0.000 0.457 228 F N 1.097 120.972 119.950 -0.126 0.000 2.022 228 F HA -0.093 4.436 4.527 0.003 0.000 0.293 228 F C 2.099 177.808 175.800 -0.151 0.000 1.142 228 F CA 2.028 59.891 58.000 -0.230 0.000 1.177 228 F CB -0.454 38.355 39.000 -0.318 0.000 0.982 228 F HN 0.092 nan 8.300 nan 0.000 0.473 229 K N -0.340 120.063 120.400 0.006 0.000 2.207 229 K HA -0.296 4.026 4.320 0.003 0.000 0.208 229 K C 1.799 178.314 176.600 -0.142 0.000 1.046 229 K CA 2.136 58.360 56.287 -0.106 0.000 0.929 229 K CB -0.365 32.115 32.500 -0.033 0.000 0.720 229 K HN 0.513 nan 8.250 nan 0.000 0.463 230 Q N -1.148 118.603 119.800 -0.083 0.000 2.360 230 Q HA 0.034 4.376 4.340 0.003 0.000 0.202 230 Q C 1.309 177.266 176.000 -0.072 0.000 0.915 230 Q CA 0.265 56.028 55.803 -0.067 0.000 0.943 230 Q CB 0.515 29.235 28.738 -0.031 0.000 1.064 230 Q HN 0.364 nan 8.270 nan 0.000 0.511 231 C N -0.999 118.243 119.300 -0.096 0.000 2.964 231 C HA 0.071 4.533 4.460 0.003 0.000 0.358 231 C C 2.281 177.224 174.990 -0.078 0.000 1.289 231 C CA -0.312 58.688 59.018 -0.030 0.000 1.856 231 C CB -0.044 27.765 27.740 0.115 0.000 2.488 231 C HN 0.525 nan 8.230 nan 0.000 0.604 232 Q N 0.516 120.167 119.800 -0.248 0.000 2.082 232 Q HA -0.232 4.110 4.340 0.003 0.000 0.211 232 Q C 0.578 176.411 176.000 -0.279 0.000 1.002 232 Q CA 2.249 57.810 55.803 -0.404 0.000 0.868 232 Q CB -0.106 28.168 28.738 -0.773 0.000 0.931 232 Q HN 0.873 nan 8.270 nan 0.000 0.414 233 Y N -1.168 119.074 120.300 -0.097 0.000 2.660 233 Y HA 0.324 4.876 4.550 0.003 0.000 0.254 233 Y C -0.358 175.492 175.900 -0.083 0.000 1.176 233 Y CA -0.948 57.096 58.100 -0.094 0.000 1.195 233 Y CB 0.816 39.234 38.460 -0.070 0.000 1.190 233 Y HN -0.230 nan 8.280 nan 0.000 0.535 234 K N 0.909 121.314 120.400 0.008 0.000 2.221 234 K HA 0.121 4.443 4.320 0.003 0.000 0.258 234 K C -0.291 176.288 176.600 -0.036 0.000 0.944 234 K CA -0.347 55.935 56.287 -0.009 0.000 0.823 234 K CB 2.276 34.766 32.500 -0.017 0.000 1.113 234 K HN 0.076 nan 8.250 nan 0.000 0.431 235 D N 1.159 121.542 120.400 -0.027 0.000 2.348 235 D HA -0.073 4.569 4.640 0.003 0.000 0.216 235 D C -0.323 175.960 176.300 -0.029 0.000 0.970 235 D CA 0.705 54.684 54.000 -0.035 0.000 0.889 235 D CB 0.252 41.040 40.800 -0.020 0.000 0.912 235 D HN 0.410 nan 8.370 nan 0.000 0.524 236 T N 1.467 116.008 114.554 -0.021 0.000 2.576 236 T HA 0.239 4.591 4.350 0.003 0.000 0.251 236 T C -0.214 174.447 174.700 -0.064 0.000 1.050 236 T CA 0.517 62.601 62.100 -0.027 0.000 1.286 236 T CB -0.761 68.092 68.868 -0.025 0.000 1.028 236 T HN 0.252 nan 8.240 nan 0.000 0.509 237 L N 3.200 124.366 121.223 -0.096 0.000 2.787 237 L HA 0.657 4.999 4.340 0.003 0.000 0.260 237 L C -3.202 173.553 176.870 -0.193 0.000 0.921 237 L CA -1.903 52.856 54.840 -0.136 0.000 0.984 237 L CB 1.167 43.174 42.059 -0.087 0.000 1.519 237 L HN 0.118 nan 8.230 nan 0.000 0.452 238 P HA 0.504 nan 4.420 nan 0.000 0.282 238 P C -0.148 177.132 177.300 -0.032 0.000 1.259 238 P CA -0.745 62.250 63.100 -0.176 0.000 0.826 238 P CB 1.712 33.220 31.700 -0.319 0.000 1.064 239 K N 1.271 121.697 120.400 0.045 0.000 2.001 239 K HA -0.135 4.187 4.320 0.003 0.000 0.208 239 K C 1.282 177.963 176.600 0.134 0.000 1.048 239 K CA 1.909 58.242 56.287 0.077 0.000 0.932 239 K CB -0.501 32.052 32.500 0.088 0.000 0.715 239 K HN 0.323 nan 8.250 nan 0.000 0.437 240 E N -0.303 119.997 120.200 0.167 0.000 2.478 240 E HA 0.021 4.373 4.350 0.003 0.000 0.194 240 E C 1.618 178.333 176.600 0.192 0.000 1.045 240 E CA 0.205 56.760 56.400 0.258 0.000 0.868 240 E CB 0.269 30.163 29.700 0.323 0.000 0.885 240 E HN 0.022 nan 8.360 nan 0.000 0.505 241 V N 0.471 120.459 119.914 0.124 0.000 2.407 241 V HA -0.242 3.880 4.120 0.003 0.000 0.248 241 V C 1.759 177.904 176.094 0.086 0.000 1.055 241 V CA 1.594 63.939 62.300 0.075 0.000 1.049 241 V CB -0.380 31.445 31.823 0.004 0.000 0.662 241 V HN 0.325 nan 8.190 nan 0.000 0.455 242 F N 1.845 121.789 119.950 -0.009 0.000 2.186 242 F HA -0.032 4.497 4.527 0.003 0.000 0.299 242 F C 0.108 175.934 175.800 0.042 0.000 1.090 242 F CA 1.471 59.486 58.000 0.024 0.000 1.307 242 F CB -0.971 38.029 39.000 0.000 0.000 1.019 242 F HN 0.272 nan 8.300 nan 0.000 0.489 243 P HA -0.045 nan 4.420 nan 0.000 0.224 243 P C 1.952 178.947 177.300 -0.508 0.000 1.157 243 P CA 1.061 64.056 63.100 -0.174 0.000 0.799 243 P CB 0.077 31.616 31.700 -0.269 0.000 0.809 244 V N 1.028 120.740 119.914 -0.337 0.000 2.229 244 V HA -0.223 3.899 4.120 0.003 0.000 0.243 244 V C 2.760 178.604 176.094 -0.417 0.000 1.042 244 V CA 1.538 63.647 62.300 -0.318 0.000 1.000 244 V CB -1.340 30.420 31.823 -0.105 0.000 0.637 244 V HN -0.021 nan 8.190 nan 0.000 0.446 245 L N -0.195 120.854 121.223 -0.290 0.000 2.171 245 L HA -0.339 4.003 4.340 0.003 0.000 0.216 245 L C 2.457 179.049 176.870 -0.463 0.000 1.084 245 L CA 1.885 56.569 54.840 -0.260 0.000 0.771 245 L CB -0.570 41.439 42.059 -0.083 0.000 0.890 245 L HN 0.464 nan 8.230 nan 0.000 0.437 246 A N -1.129 121.304 122.820 -0.646 0.000 1.878 246 A HA 0.072 4.394 4.320 0.003 0.000 0.213 246 A C 2.444 179.565 177.584 -0.772 0.000 1.192 246 A CA 1.064 52.579 52.037 -0.870 0.000 0.619 246 A CB -0.532 17.953 19.000 -0.859 0.000 0.837 246 A HN 0.372 nan 8.150 nan 0.000 0.446 247 A N -0.059 122.181 122.820 -0.967 0.000 1.873 247 A HA -0.094 4.228 4.320 0.003 0.000 0.215 247 A C 2.061 179.317 177.584 -0.547 0.000 1.186 247 A CA 2.229 53.757 52.037 -0.850 0.000 0.616 247 A CB -0.428 18.063 19.000 -0.849 0.000 0.823 247 A HN 0.383 nan 8.150 nan 0.000 0.442 248 K N -0.509 119.517 120.400 -0.625 0.000 1.977 248 K HA -0.226 4.096 4.320 0.003 0.000 0.218 248 K C 1.873 178.071 176.600 -0.670 0.000 1.051 248 K CA 2.183 58.007 56.287 -0.772 0.000 0.953 248 K CB -0.820 30.907 32.500 -1.289 0.000 0.727 248 K HN 0.686 nan 8.250 nan 0.000 0.445 249 H N -0.771 117.869 119.070 -0.717 0.000 2.337 249 H HA -0.275 4.283 4.556 0.003 0.000 0.288 249 H C 1.974 177.133 175.328 -0.280 0.000 1.117 249 H CA 2.528 58.375 56.048 -0.335 0.000 1.205 249 H CB -0.663 28.915 29.762 -0.307 0.000 1.353 249 H HN 0.349 nan 8.280 nan 0.000 0.480 250 C N -0.100 119.080 119.300 -0.200 0.000 2.453 250 C HA -0.095 4.367 4.460 0.003 0.000 0.277 250 C C 2.792 177.656 174.990 -0.211 0.000 1.262 250 C CA 0.627 59.551 59.018 -0.156 0.000 1.718 250 C CB -0.991 26.677 27.740 -0.119 0.000 2.031 250 C HN 0.622 nan 8.230 nan 0.000 0.480 251 I N 0.366 120.796 120.570 -0.233 0.000 2.091 251 I HA -0.238 3.934 4.170 0.003 0.000 0.239 251 I C 2.535 178.553 176.117 -0.165 0.000 1.061 251 I CA 1.860 63.055 61.300 -0.174 0.000 1.317 251 I CB -1.416 36.498 38.000 -0.143 0.000 1.031 251 I HN 0.273 nan 8.210 nan 0.000 0.401 252 M N 0.110 119.560 119.600 -0.250 0.000 2.088 252 M HA -0.285 4.197 4.480 0.003 0.000 0.256 252 M C 2.264 178.422 176.300 -0.237 0.000 1.071 252 M CA 1.706 56.848 55.300 -0.263 0.000 1.097 252 M CB -1.485 31.003 32.600 -0.187 0.000 1.315 252 M HN 0.355 nan 8.290 nan 0.000 0.406 253 Q N -1.137 118.484 119.800 -0.298 0.000 2.297 253 Q HA -0.118 4.224 4.340 0.003 0.000 0.208 253 Q C 1.795 177.680 176.000 -0.192 0.000 0.981 253 Q CA 1.529 57.173 55.803 -0.265 0.000 0.876 253 Q CB 0.047 28.594 28.738 -0.319 0.000 0.921 253 Q HN 0.563 nan 8.270 nan 0.000 0.446 254 A N 0.342 123.074 122.820 -0.147 0.000 1.935 254 A HA -0.105 4.217 4.320 0.003 0.000 0.214 254 A C 1.690 179.333 177.584 0.098 0.000 1.178 254 A CA 0.788 52.760 52.037 -0.107 0.000 0.640 254 A CB -0.247 18.615 19.000 -0.230 0.000 0.825 254 A HN 0.331 nan 8.150 nan 0.000 0.447 255 N N 1.080 119.898 118.700 0.197 0.000 2.013 255 N HA -0.171 4.571 4.740 0.003 0.000 0.195 255 N C 2.031 177.681 175.510 0.234 0.000 1.051 255 N CA 1.804 55.038 53.050 0.308 0.000 0.851 255 N CB -0.805 37.730 38.487 0.080 0.000 1.044 255 N HN 0.407 nan 8.380 nan 0.000 0.422 256 A N 1.984 124.854 122.820 0.083 0.000 1.915 256 A HA -0.242 4.080 4.320 0.003 0.000 0.220 256 A C 2.115 179.723 177.584 0.041 0.000 1.198 256 A CA 1.785 53.856 52.037 0.057 0.000 0.647 256 A CB -0.571 18.403 19.000 -0.043 0.000 0.825 256 A HN 0.262 nan 8.150 nan 0.000 0.456 257 E N -1.466 118.719 120.200 -0.025 0.000 2.051 257 E HA -0.200 4.152 4.350 0.003 0.000 0.192 257 E C 1.894 178.524 176.600 0.050 0.000 0.991 257 E CA 1.664 58.031 56.400 -0.054 0.000 0.799 257 E CB -0.624 28.956 29.700 -0.201 0.000 0.748 257 E HN 0.836 nan 8.360 nan 0.000 0.449 258 Y N 1.442 121.736 120.300 -0.011 0.000 2.224 258 Y HA -0.227 4.325 4.550 0.004 0.000 0.289 258 Y C 2.311 178.163 175.900 -0.080 0.000 1.146 258 Y CA 1.761 59.846 58.100 -0.025 0.000 1.182 258 Y CB -0.273 38.203 38.460 0.027 0.000 0.983 258 Y HN 0.152 nan 8.280 nan 0.000 0.524 259 H N -0.517 118.482 119.070 -0.117 0.000 2.333 259 H HA -0.130 4.428 4.556 0.003 0.000 0.302 259 H C 2.055 177.285 175.328 -0.163 0.000 1.075 259 H CA 1.780 57.696 56.048 -0.220 0.000 1.348 259 H CB -0.566 29.181 29.762 -0.025 0.000 1.393 259 H HN 0.362 nan 8.280 nan 0.000 0.509 260 Q N 1.229 121.052 119.800 0.039 0.000 2.368 260 Q HA -0.098 4.244 4.340 0.003 0.000 0.210 260 Q C 2.042 178.018 176.000 -0.041 0.000 0.982 260 Q CA 1.302 57.102 55.803 -0.005 0.000 0.884 260 Q CB 0.062 28.797 28.738 -0.005 0.000 0.933 260 Q HN 0.348 nan 8.270 nan 0.000 0.460 261 S N -0.362 115.294 115.700 -0.074 0.000 2.357 261 S HA -0.100 4.372 4.470 0.003 0.000 0.221 261 S C 1.832 176.373 174.600 -0.098 0.000 1.031 261 S CA 1.189 59.349 58.200 -0.067 0.000 0.982 261 S CB -0.369 62.802 63.200 -0.048 0.000 0.853 261 S HN 0.415 nan 8.310 nan 0.000 0.458 262 I N 1.450 121.917 120.570 -0.173 0.000 2.163 262 I HA -0.184 3.988 4.170 0.003 0.000 0.243 262 I C 2.457 178.511 176.117 -0.105 0.000 1.085 262 I CA 0.957 62.171 61.300 -0.144 0.000 1.347 262 I CB -0.436 37.465 38.000 -0.165 0.000 1.044 262 I HN 0.223 nan 8.210 nan 0.000 0.408 263 L N 1.413 122.586 121.223 -0.083 0.000 2.042 263 L HA -0.171 4.171 4.340 0.003 0.000 0.210 263 L C 2.517 179.334 176.870 -0.088 0.000 1.076 263 L CA 2.230 57.023 54.840 -0.079 0.000 0.749 263 L CB -1.001 41.029 42.059 -0.048 0.000 0.893 263 L HN 0.206 nan 8.230 nan 0.000 0.432 264 A N -0.818 121.969 122.820 -0.056 0.000 2.019 264 A HA -0.209 4.113 4.320 0.003 0.000 0.219 264 A C 2.427 179.925 177.584 -0.143 0.000 1.164 264 A CA 1.697 53.728 52.037 -0.010 0.000 0.644 264 A CB -0.600 18.409 19.000 0.014 0.000 0.805 264 A HN 0.502 nan 8.150 nan 0.000 0.449 265 K N -0.196 120.093 120.400 -0.184 0.000 2.025 265 K HA -0.179 4.143 4.320 0.003 0.000 0.207 265 K C 2.133 178.477 176.600 -0.426 0.000 1.049 265 K CA 1.736 57.852 56.287 -0.285 0.000 0.933 265 K CB -0.258 32.180 32.500 -0.104 0.000 0.714 265 K HN 0.637 nan 8.250 nan 0.000 0.438 266 Q N 0.488 120.084 119.800 -0.340 0.000 2.030 266 Q HA -0.172 4.170 4.340 0.003 0.000 0.204 266 Q C 1.871 177.383 176.000 -0.814 0.000 0.986 266 Q CA 1.681 57.207 55.803 -0.462 0.000 0.843 266 Q CB -0.060 28.501 28.738 -0.296 0.000 0.904 266 Q HN 0.413 nan 8.270 nan 0.000 0.420 267 Q N -0.344 119.102 119.800 -0.590 0.000 2.547 267 Q HA -0.104 4.238 4.340 0.003 0.000 0.217 267 Q C -0.553 174.928 176.000 -0.866 0.000 0.978 267 Q CA 0.211 55.614 55.803 -0.666 0.000 0.962 267 Q CB -0.132 28.392 28.738 -0.357 0.000 0.990 267 Q HN 0.476 nan 8.270 nan 0.000 0.538 268 Y N -3.317 116.550 120.300 -0.722 0.000 4.324 268 Y HA -0.313 4.239 4.550 0.003 0.000 0.224 268 Y C -0.530 174.834 175.900 -0.893 0.000 1.113 268 Y CA -0.314 57.185 58.100 -1.001 0.000 1.887 268 Y CB -2.679 35.490 38.460 -0.485 0.000 1.602 268 Y HN 0.302 nan 8.280 nan 0.000 0.654 269 Y N -0.233 119.817 120.300 -0.417 0.000 2.636 269 Y HA 0.186 4.738 4.550 0.003 0.000 0.341 269 Y C 0.955 176.705 175.900 -0.250 0.000 1.169 269 Y CA -0.746 57.224 58.100 -0.217 0.000 1.498 269 Y CB -0.434 37.946 38.460 -0.133 0.000 1.362 269 Y HN 0.104 nan 8.280 nan 0.000 0.494 270 F N 0.036 120.049 119.950 0.104 0.000 2.456 270 F HA -0.018 4.511 4.527 0.003 0.000 0.298 270 F C 2.238 178.093 175.800 0.092 0.000 1.104 270 F CA 0.816 58.855 58.000 0.065 0.000 1.435 270 F CB -0.212 38.792 39.000 0.007 0.000 1.078 270 F HN 0.569 nan 8.300 nan 0.000 0.546 271 G N -0.001 108.949 108.800 0.251 0.000 2.524 271 G HA2 -0.301 3.661 3.960 0.003 0.000 0.215 271 G HA3 -0.301 3.661 3.960 0.003 0.000 0.215 271 G C 1.466 176.434 174.900 0.113 0.000 1.239 271 G CA 0.919 46.115 45.100 0.161 0.000 0.798 271 G HN 0.363 nan 8.290 nan 0.000 0.557 272 E N 0.166 120.417 120.200 0.085 0.000 2.136 272 E HA -0.283 4.069 4.350 0.003 0.000 0.202 272 E C 2.226 178.856 176.600 0.051 0.000 1.019 272 E CA 1.738 58.159 56.400 0.034 0.000 0.819 272 E CB -0.247 29.441 29.700 -0.020 0.000 0.739 272 E HN 0.629 nan 8.360 nan 0.000 0.458 273 E N 0.011 120.252 120.200 0.068 0.000 2.033 273 E HA -0.234 4.118 4.350 0.003 0.000 0.199 273 E C 2.166 178.820 176.600 0.090 0.000 1.011 273 E CA 1.758 58.198 56.400 0.067 0.000 0.815 273 E CB -0.096 29.655 29.700 0.085 0.000 0.755 273 E HN 0.346 nan 8.360 nan 0.000 0.451 274 I N 1.086 121.723 120.570 0.112 0.000 2.099 274 I HA -0.275 3.897 4.170 0.003 0.000 0.239 274 I C 2.761 178.930 176.117 0.086 0.000 1.066 274 I CA 1.333 62.694 61.300 0.102 0.000 1.324 274 I CB -1.700 36.361 38.000 0.100 0.000 1.037 274 I HN 0.155 nan 8.210 nan 0.000 0.401 275 A N 1.179 124.045 122.820 0.077 0.000 1.915 275 A HA -0.266 4.056 4.320 0.003 0.000 0.220 275 A C 2.448 180.089 177.584 0.094 0.000 1.198 275 A CA 2.079 54.159 52.037 0.071 0.000 0.647 275 A CB -0.780 18.253 19.000 0.054 0.000 0.825 275 A HN 0.413 nan 8.150 nan 0.000 0.456 276 R N -1.106 119.442 120.500 0.080 0.000 2.148 276 R HA 0.069 4.411 4.340 0.003 0.000 0.223 276 R C 2.041 178.392 176.300 0.085 0.000 1.088 276 R CA 1.087 57.230 56.100 0.072 0.000 0.985 276 R CB -0.372 29.945 30.300 0.029 0.000 0.880 276 R HN 0.540 nan 8.270 nan 0.000 0.451 277 L N 0.594 121.876 121.223 0.099 0.000 2.068 277 L HA -0.140 4.202 4.340 0.003 0.000 0.204 277 L C 2.560 179.490 176.870 0.099 0.000 1.076 277 L CA 1.198 56.106 54.840 0.115 0.000 0.753 277 L CB -0.362 41.773 42.059 0.127 0.000 0.910 277 L HN 0.154 nan 8.230 nan 0.000 0.439 278 Q N -0.692 119.164 119.800 0.094 0.000 2.077 278 Q HA -0.332 4.010 4.340 0.003 0.000 0.206 278 Q C 2.067 178.130 176.000 0.104 0.000 0.989 278 Q CA 2.259 58.108 55.803 0.075 0.000 0.853 278 Q CB -0.569 28.204 28.738 0.058 0.000 0.907 278 Q HN 0.623 nan 8.270 nan 0.000 0.418 279 H N 0.018 119.089 119.070 0.003 0.000 2.319 279 H HA -0.168 4.390 4.556 0.003 0.000 0.297 279 H C 2.057 177.370 175.328 -0.026 0.000 1.097 279 H CA 1.206 57.248 56.048 -0.009 0.000 1.285 279 H CB 0.112 29.872 29.762 -0.003 0.000 1.368 279 H HN 0.314 nan 8.280 nan 0.000 0.495 280 A N 0.912 123.806 122.820 0.123 0.000 1.873 280 A HA -0.083 4.239 4.320 0.003 0.000 0.215 280 A C 2.608 180.157 177.584 -0.058 0.000 1.186 280 A CA 1.439 53.469 52.037 -0.011 0.000 0.616 280 A CB -1.210 17.797 19.000 0.013 0.000 0.823 280 A HN 0.621 nan 8.150 nan 0.000 0.442 281 A N -0.360 122.446 122.820 -0.024 0.000 1.865 281 A HA -0.219 4.103 4.320 0.003 0.000 0.217 281 A C 1.958 179.511 177.584 -0.052 0.000 1.191 281 A CA 1.984 53.987 52.037 -0.058 0.000 0.623 281 A CB -0.724 18.267 19.000 -0.015 0.000 0.826 281 A HN 0.651 nan 8.150 nan 0.000 0.444 282 E N -0.408 119.788 120.200 -0.006 0.000 2.045 282 E HA -0.261 4.091 4.350 0.003 0.000 0.212 282 E C 1.879 178.468 176.600 -0.018 0.000 1.039 282 E CA 1.742 58.137 56.400 -0.008 0.000 0.860 282 E CB -0.366 29.336 29.700 0.003 0.000 0.776 282 E HN 0.535 nan 8.360 nan 0.000 0.467 283 L N 0.154 121.385 121.223 0.013 0.000 2.123 283 L HA -0.292 4.050 4.340 0.003 0.000 0.217 283 L C 2.414 179.236 176.870 -0.080 0.000 1.081 283 L CA 1.311 56.143 54.840 -0.013 0.000 0.772 283 L CB -0.322 41.732 42.059 -0.009 0.000 0.890 283 L HN 0.307 nan 8.230 nan 0.000 0.437 284 I N -1.192 119.293 120.570 -0.141 0.000 2.296 284 I HA -0.246 3.926 4.170 0.003 0.000 0.242 284 I C 2.503 178.561 176.117 -0.098 0.000 1.087 284 I CA 0.925 62.116 61.300 -0.181 0.000 1.393 284 I CB -0.239 37.567 38.000 -0.323 0.000 1.093 284 I HN 0.095 nan 8.210 nan 0.000 0.421 285 K N 0.375 120.728 120.400 -0.079 0.000 2.090 285 K HA -0.309 4.013 4.320 0.003 0.000 0.218 285 K C 2.013 178.592 176.600 -0.034 0.000 1.055 285 K CA 2.693 58.951 56.287 -0.048 0.000 0.941 285 K CB -0.338 32.138 32.500 -0.039 0.000 0.722 285 K HN 0.310 nan 8.250 nan 0.000 0.458 286 T N 0.501 115.039 114.554 -0.028 0.000 2.570 286 T HA -0.199 4.153 4.350 0.003 0.000 0.266 286 T C 1.872 176.578 174.700 0.009 0.000 1.071 286 T CA 2.134 64.225 62.100 -0.015 0.000 1.172 286 T CB -0.486 68.385 68.868 0.005 0.000 0.864 286 T HN 0.066 nan 8.240 nan 0.000 0.421 287 V N 2.010 121.955 119.914 0.051 0.000 2.332 287 V HA -0.203 3.919 4.120 0.003 0.000 0.248 287 V C 2.899 179.047 176.094 0.089 0.000 1.055 287 V CA 1.635 64.020 62.300 0.141 0.000 1.038 287 V CB -1.516 30.335 31.823 0.045 0.000 0.651 287 V HN 0.590 nan 8.190 nan 0.000 0.450 288 A N 1.115 123.948 122.820 0.020 0.000 1.869 288 A HA -0.295 4.027 4.320 0.003 0.000 0.218 288 A C 2.578 180.173 177.584 0.017 0.000 1.203 288 A CA 3.200 55.245 52.037 0.014 0.000 0.638 288 A CB -0.949 18.045 19.000 -0.010 0.000 0.831 288 A HN 0.716 nan 8.150 nan 0.000 0.450 289 S N -0.940 114.754 115.700 -0.010 0.000 2.336 289 S HA -0.093 4.379 4.470 0.003 0.000 0.216 289 S C 2.083 176.639 174.600 -0.074 0.000 1.032 289 S CA 1.088 59.269 58.200 -0.031 0.000 0.973 289 S CB -0.510 62.665 63.200 -0.042 0.000 0.888 289 S HN 0.547 nan 8.310 nan 0.000 0.455 290 R N -0.115 120.287 120.500 -0.164 0.000 2.148 290 R HA 0.012 4.354 4.340 0.003 0.000 0.227 290 R C 0.619 176.562 176.300 -0.595 0.000 1.103 290 R CA 1.329 57.177 56.100 -0.420 0.000 0.983 290 R CB -0.097 29.842 30.300 -0.602 0.000 0.874 290 R HN 0.658 nan 8.270 nan 0.000 0.451 291 Y N -0.570 119.736 120.300 0.010 0.000 2.675 291 Y HA 0.099 4.651 4.550 0.003 0.000 0.248 291 Y C 0.887 176.903 175.900 0.194 0.000 1.161 291 Y CA -0.455 57.679 58.100 0.057 0.000 1.203 291 Y CB 0.500 38.914 38.460 -0.076 0.000 1.262 291 Y HN 0.164 nan 8.280 nan 0.000 0.544 292 D N 1.066 121.589 120.400 0.205 0.000 2.218 292 D HA -0.337 4.305 4.640 0.003 0.000 0.194 292 D C 1.501 177.892 176.300 0.151 0.000 1.007 292 D CA 1.931 56.019 54.000 0.146 0.000 0.879 292 D CB -0.329 40.517 40.800 0.076 0.000 0.918 292 D HN 0.523 nan 8.370 nan 0.000 0.449 293 E N -1.077 119.235 120.200 0.187 0.000 2.482 293 E HA -0.122 4.230 4.350 0.003 0.000 0.196 293 E C 0.661 177.192 176.600 -0.115 0.000 1.047 293 E CA 0.331 56.733 56.400 0.003 0.000 0.869 293 E CB -0.032 29.611 29.700 -0.095 0.000 0.836 293 E HN 0.567 nan 8.360 nan 0.000 0.520 294 Y N -0.842 119.500 120.300 0.071 0.000 2.426 294 Y HA 0.148 4.701 4.550 0.004 0.000 0.249 294 Y C 0.086 175.996 175.900 0.015 0.000 1.103 294 Y CA -0.432 57.698 58.100 0.050 0.000 1.256 294 Y CB 1.609 40.105 38.460 0.060 0.000 1.208 294 Y HN -0.109 nan 8.280 nan 0.000 0.519 295 V N -1.636 118.378 119.914 0.167 0.000 2.882 295 V HA 0.282 4.404 4.120 0.003 0.000 0.295 295 V C -1.279 174.858 176.094 0.071 0.000 1.273 295 V CA -1.350 60.999 62.300 0.082 0.000 0.949 295 V CB 1.551 33.389 31.823 0.026 0.000 1.071 295 V HN 0.233 nan 8.190 nan 0.000 0.432 296 N N 2.244 120.979 118.700 0.059 0.000 2.422 296 N HA 0.542 5.284 4.740 0.003 0.000 0.266 296 N C -0.699 174.849 175.510 0.063 0.000 1.007 296 N CA -0.259 52.825 53.050 0.057 0.000 0.941 296 N CB 2.186 40.705 38.487 0.053 0.000 1.115 296 N HN 0.701 nan 8.380 nan 0.000 0.492 297 V N 4.971 124.920 119.914 0.058 0.000 3.199 297 V HA 0.107 4.229 4.120 0.003 0.000 0.331 297 V C 1.688 177.822 176.094 0.067 0.000 1.446 297 V CA -0.241 62.104 62.300 0.075 0.000 1.120 297 V CB -0.087 31.751 31.823 0.025 0.000 1.051 297 V HN 0.672 nan 8.190 nan 0.000 0.495 298 K N 0.670 121.103 120.400 0.054 0.000 2.032 298 K HA -0.186 4.136 4.320 0.003 0.000 0.209 298 K C 1.415 178.048 176.600 0.054 0.000 1.048 298 K CA 2.297 58.608 56.287 0.041 0.000 0.927 298 K CB -0.062 32.459 32.500 0.035 0.000 0.712 298 K HN 0.582 nan 8.250 nan 0.000 0.441 299 D N 0.362 120.806 120.400 0.073 0.000 2.081 299 D HA -0.189 4.454 4.640 0.003 0.000 0.194 299 D C 1.810 178.178 176.300 0.114 0.000 0.986 299 D CA 0.811 54.853 54.000 0.071 0.000 0.837 299 D CB -0.661 40.173 40.800 0.055 0.000 0.985 299 D HN 0.093 nan 8.370 nan 0.000 0.448 300 F N 1.990 121.900 119.950 -0.066 0.000 2.079 300 F HA -0.321 4.208 4.527 0.003 0.000 0.296 300 F C 2.661 178.376 175.800 -0.142 0.000 1.084 300 F CA 1.638 59.562 58.000 -0.126 0.000 1.236 300 F CB -1.087 37.850 39.000 -0.104 0.000 0.984 300 F HN -0.096 nan 8.300 nan 0.000 0.488 301 S N -0.264 115.478 115.700 0.069 0.000 2.383 301 S HA -0.197 4.275 4.470 0.003 0.000 0.229 301 S C 1.833 176.429 174.600 -0.006 0.000 1.030 301 S CA 1.689 59.856 58.200 -0.054 0.000 1.002 301 S CB -0.511 62.655 63.200 -0.057 0.000 0.829 301 S HN 0.541 nan 8.310 nan 0.000 0.467 302 D N 0.868 121.284 120.400 0.027 0.000 2.084 302 D HA -0.107 4.535 4.640 0.003 0.000 0.196 302 D C 1.999 178.316 176.300 0.028 0.000 0.985 302 D CA 0.917 54.932 54.000 0.025 0.000 0.826 302 D CB -0.397 40.420 40.800 0.029 0.000 0.978 302 D HN 0.459 nan 8.370 nan 0.000 0.456 303 K N 0.795 121.210 120.400 0.025 0.000 2.127 303 K HA -0.172 4.150 4.320 0.003 0.000 0.208 303 K C 2.169 178.762 176.600 -0.012 0.000 1.047 303 K CA 0.974 57.255 56.287 -0.009 0.000 0.927 303 K CB 0.023 32.460 32.500 -0.105 0.000 0.716 303 K HN 0.097 nan 8.250 nan 0.000 0.450 304 I N 1.378 121.936 120.570 -0.021 0.000 2.277 304 I HA -0.222 3.950 4.170 0.003 0.000 0.243 304 I C 1.634 177.783 176.117 0.053 0.000 1.094 304 I CA 1.029 62.334 61.300 0.008 0.000 1.393 304 I CB -1.067 36.901 38.000 -0.053 0.000 1.078 304 I HN 0.225 nan 8.210 nan 0.000 0.417 305 N N 1.238 119.956 118.700 0.029 0.000 2.244 305 N HA -0.131 4.611 4.740 0.003 0.000 0.183 305 N C 1.934 177.477 175.510 0.054 0.000 1.016 305 N CA 0.994 54.065 53.050 0.035 0.000 0.866 305 N CB -0.385 38.114 38.487 0.019 0.000 0.980 305 N HN 0.359 nan 8.380 nan 0.000 0.430 306 R N 0.634 121.170 120.500 0.059 0.000 2.062 306 R HA 0.082 4.424 4.340 0.003 0.000 0.231 306 R C 2.203 178.560 176.300 0.095 0.000 1.136 306 R CA 1.244 57.385 56.100 0.069 0.000 0.948 306 R CB -0.327 30.012 30.300 0.065 0.000 0.845 306 R HN 0.202 nan 8.270 nan 0.000 0.430 307 A N 1.257 124.152 122.820 0.125 0.000 1.908 307 A HA -0.195 4.127 4.320 0.003 0.000 0.218 307 A C 2.055 179.726 177.584 0.144 0.000 1.181 307 A CA 1.296 53.431 52.037 0.164 0.000 0.627 307 A CB -0.585 18.575 19.000 0.267 0.000 0.818 307 A HN 0.284 nan 8.150 nan 0.000 0.445 308 L N -0.166 121.133 121.223 0.126 0.000 1.994 308 L HA -0.072 4.270 4.340 0.003 0.000 0.208 308 L C 2.674 179.600 176.870 0.093 0.000 1.071 308 L CA 2.431 57.335 54.840 0.106 0.000 0.745 308 L CB -1.044 41.065 42.059 0.083 0.000 0.892 308 L HN 0.350 nan 8.230 nan 0.000 0.431 309 A N -0.229 122.640 122.820 0.081 0.000 1.873 309 A HA -0.220 4.102 4.320 0.003 0.000 0.218 309 A C 2.460 180.095 177.584 0.085 0.000 1.193 309 A CA 2.539 54.621 52.037 0.074 0.000 0.629 309 A CB -1.428 17.610 19.000 0.063 0.000 0.826 309 A HN 0.658 nan 8.150 nan 0.000 0.447 310 A N -0.633 122.242 122.820 0.093 0.000 1.930 310 A HA 0.228 4.550 4.320 0.003 0.000 0.217 310 A C 2.480 180.136 177.584 0.120 0.000 1.175 310 A CA 1.990 54.086 52.037 0.099 0.000 0.627 310 A CB -0.902 18.159 19.000 0.101 0.000 0.815 310 A HN 1.061 nan 8.150 nan 0.000 0.443 311 A N -0.302 122.600 122.820 0.136 0.000 1.873 311 A HA -0.108 4.214 4.320 0.003 0.000 0.215 311 A C 2.115 179.780 177.584 0.134 0.000 1.186 311 A CA 1.653 53.791 52.037 0.169 0.000 0.616 311 A CB -0.409 18.697 19.000 0.176 0.000 0.823 311 A HN 0.450 nan 8.150 nan 0.000 0.442 312 K N -0.421 120.039 120.400 0.100 0.000 2.209 312 K HA -0.145 4.177 4.320 0.003 0.000 0.204 312 K C 2.129 178.759 176.600 0.050 0.000 1.048 312 K CA 1.446 57.769 56.287 0.061 0.000 0.940 312 K CB -0.089 32.442 32.500 0.051 0.000 0.729 312 K HN 0.519 nan 8.250 nan 0.000 0.451 313 K N 1.055 121.510 120.400 0.091 0.000 1.984 313 K HA -0.152 4.170 4.320 0.003 0.000 0.209 313 K C 1.471 178.144 176.600 0.121 0.000 1.046 313 K CA 1.814 58.188 56.287 0.147 0.000 0.934 313 K CB 0.058 32.629 32.500 0.119 0.000 0.717 313 K HN 0.019 nan 8.250 nan 0.000 0.438 314 D N 0.454 120.886 120.400 0.054 0.000 2.104 314 D HA -0.200 4.442 4.640 0.003 0.000 0.194 314 D C 1.764 177.952 176.300 -0.185 0.000 0.994 314 D CA 1.394 55.356 54.000 -0.063 0.000 0.830 314 D CB -0.547 40.271 40.800 0.030 0.000 0.959 314 D HN 0.298 nan 8.370 nan 0.000 0.452 315 N N 0.733 119.392 118.700 -0.068 0.000 2.142 315 N HA -0.138 4.604 4.740 0.003 0.000 0.186 315 N C 1.138 176.419 175.510 -0.382 0.000 1.023 315 N CA 1.283 54.257 53.050 -0.127 0.000 0.852 315 N CB 0.054 38.554 38.487 0.021 0.000 0.998 315 N HN -0.059 nan 8.380 nan 0.000 0.424 316 D N -1.057 119.130 120.400 -0.355 0.000 2.218 316 D HA -0.097 4.545 4.640 0.003 0.000 0.204 316 D C 0.895 176.670 176.300 -0.876 0.000 0.976 316 D CA 0.967 54.613 54.000 -0.590 0.000 0.853 316 D CB -0.094 40.349 40.800 -0.595 0.000 0.939 316 D HN 0.428 nan 8.370 nan 0.000 0.481 317 F N -0.757 118.962 119.950 -0.385 0.000 2.727 317 F HA 0.161 4.690 4.527 0.003 0.000 0.302 317 F C 1.838 177.488 175.800 -0.251 0.000 1.107 317 F CA -0.210 57.645 58.000 -0.242 0.000 1.277 317 F CB 0.775 39.694 39.000 -0.135 0.000 1.079 317 F HN -0.143 nan 8.300 nan 0.000 0.594 318 I N -1.781 118.577 120.570 -0.353 0.000 3.809 318 I HA 0.018 4.190 4.170 0.003 0.000 0.245 318 I C 1.581 177.507 176.117 -0.319 0.000 1.119 318 I CA 0.613 61.669 61.300 -0.406 0.000 1.597 318 I CB -1.312 36.170 38.000 -0.863 0.000 1.605 318 I HN 0.001 nan 8.210 nan 0.000 0.441 319 Y N 1.072 121.215 120.300 -0.262 0.000 2.420 319 Y HA -0.014 4.538 4.550 0.003 0.000 0.292 319 Y C 0.457 176.350 175.900 -0.012 0.000 1.119 319 Y CA 0.365 58.344 58.100 -0.202 0.000 1.229 319 Y CB -0.428 37.726 38.460 -0.511 0.000 1.026 319 Y HN 0.296 nan 8.280 nan 0.000 0.554 320 H N 0.424 119.518 119.070 0.040 0.000 2.592 320 H HA -0.186 4.372 4.556 0.004 0.000 0.323 320 H C -1.048 174.322 175.328 0.070 0.000 1.117 320 H CA 0.460 56.523 56.048 0.024 0.000 1.120 320 H CB -1.455 28.303 29.762 -0.006 0.000 1.561 320 H HN 0.254 nan 8.280 nan 0.000 0.409 321 D N 0.025 120.522 120.400 0.161 0.000 2.168 321 D HA 0.329 4.971 4.640 0.003 0.000 0.246 321 D C 0.371 176.751 176.300 0.133 0.000 1.050 321 D CA -1.034 53.072 54.000 0.177 0.000 0.857 321 D CB 0.818 41.770 40.800 0.253 0.000 1.169 321 D HN 0.349 nan 8.370 nan 0.000 0.453 322 R N 2.295 122.865 120.500 0.116 0.000 2.583 322 R HA 0.171 4.513 4.340 0.003 0.000 0.274 322 R C -1.184 175.167 176.300 0.086 0.000 0.998 322 R CA 0.110 56.261 56.100 0.086 0.000 1.081 322 R CB 0.207 30.550 30.300 0.073 0.000 0.940 322 R HN 0.194 nan 8.270 nan 0.000 0.413 323 V N 8.334 128.287 119.914 0.065 0.000 2.370 323 V HA 0.373 4.495 4.120 0.003 0.000 0.279 323 V C -1.884 174.233 176.094 0.039 0.000 1.029 323 V CA -1.728 60.606 62.300 0.058 0.000 0.870 323 V CB 1.411 33.265 31.823 0.052 0.000 0.984 323 V HN 0.901 nan 8.190 nan 0.000 0.451 324 P HA 0.300 nan 4.420 nan 0.000 0.282 324 P C -0.647 176.660 177.300 0.012 0.000 1.249 324 P CA -0.615 62.494 63.100 0.015 0.000 0.806 324 P CB 0.570 32.270 31.700 -0.000 0.000 0.984 325 D N 1.286 121.689 120.400 0.004 0.000 2.414 325 D HA 0.011 4.653 4.640 0.003 0.000 0.242 325 D C 1.581 177.881 176.300 -0.001 0.000 1.129 325 D CA 0.029 54.028 54.000 -0.001 0.000 0.885 325 D CB 0.928 41.725 40.800 -0.005 0.000 1.198 325 D HN 0.328 nan 8.370 nan 0.000 0.437 326 L N 2.336 123.556 121.223 -0.004 0.000 2.189 326 L HA -0.259 4.083 4.340 0.003 0.000 0.214 326 L C 2.417 179.291 176.870 0.007 0.000 1.097 326 L CA 1.461 56.306 54.840 0.008 0.000 0.764 326 L CB -0.303 41.743 42.059 -0.020 0.000 0.900 326 L HN 0.473 nan 8.230 nan 0.000 0.436 327 K N -1.268 119.129 120.400 -0.005 0.000 2.211 327 K HA -0.160 4.162 4.320 0.003 0.000 0.203 327 K C 1.343 177.938 176.600 -0.008 0.000 1.050 327 K CA 1.469 57.753 56.287 -0.005 0.000 0.945 327 K CB -0.212 32.283 32.500 -0.009 0.000 0.732 327 K HN 0.112 nan 8.250 nan 0.000 0.451 328 D N 0.899 121.292 120.400 -0.011 0.000 2.348 328 D HA 0.047 4.689 4.640 0.003 0.000 0.216 328 D C 0.434 176.715 176.300 -0.033 0.000 0.970 328 D CA 0.532 54.520 54.000 -0.020 0.000 0.889 328 D CB 0.064 40.853 40.800 -0.018 0.000 0.912 328 D HN 0.226 nan 8.370 nan 0.000 0.524 329 L N 0.882 122.089 121.223 -0.027 0.000 2.399 329 L HA 0.169 4.511 4.340 0.003 0.000 0.266 329 L C 0.659 177.503 176.870 -0.043 0.000 1.114 329 L CA -0.732 54.082 54.840 -0.043 0.000 0.804 329 L CB 0.866 42.911 42.059 -0.023 0.000 1.146 329 L HN -0.239 nan 8.230 nan 0.000 0.451 330 D N 2.395 122.757 120.400 -0.064 0.000 2.389 330 D HA 0.138 4.780 4.640 0.003 0.000 0.247 330 D C -1.976 174.301 176.300 -0.038 0.000 1.128 330 D CA -0.681 53.288 54.000 -0.053 0.000 0.884 330 D CB 0.680 41.439 40.800 -0.069 0.000 1.194 330 D HN 0.272 nan 8.370 nan 0.000 0.441 331 P HA 0.008 nan 4.420 nan 0.000 0.263 331 P C 0.164 177.445 177.300 -0.031 0.000 1.175 331 P CA 0.188 63.273 63.100 -0.026 0.000 0.761 331 P CB 0.563 32.248 31.700 -0.025 0.000 0.794 332 I N 1.779 122.330 120.570 -0.032 0.000 2.588 332 I HA 0.126 4.298 4.170 0.003 0.000 0.283 332 I C 1.718 177.814 176.117 -0.035 0.000 1.119 332 I CA 0.019 61.299 61.300 -0.032 0.000 1.419 332 I CB 0.488 38.467 38.000 -0.035 0.000 1.394 332 I HN 0.419 nan 8.210 nan 0.000 0.562 333 G N 5.346 114.128 108.800 -0.031 0.000 2.583 333 G HA2 0.274 4.236 3.960 0.003 0.000 0.275 333 G HA3 0.274 4.236 3.960 0.003 0.000 0.275 333 G C -0.532 174.342 174.900 -0.044 0.000 1.342 333 G CA -0.435 44.644 45.100 -0.035 0.000 1.030 333 G HN 0.610 nan 8.290 nan 0.000 0.520 334 K N -0.754 119.615 120.400 -0.052 0.000 2.507 334 K HA 0.586 4.908 4.320 0.003 0.000 0.251 334 K C -0.960 175.606 176.600 -0.057 0.000 0.943 334 K CA -0.495 55.749 56.287 -0.072 0.000 0.794 334 K CB 2.335 34.769 32.500 -0.110 0.000 1.188 334 K HN 0.582 nan 8.250 nan 0.000 0.428 335 A N 2.032 124.826 122.820 -0.043 0.000 2.410 335 A HA 0.396 4.718 4.320 0.003 0.000 0.289 335 A C -0.515 177.057 177.584 -0.020 0.000 1.200 335 A CA -0.563 51.459 52.037 -0.024 0.000 0.751 335 A CB 1.301 20.301 19.000 -0.001 0.000 1.161 335 A HN 0.556 nan 8.150 nan 0.000 0.459 336 T N 1.590 116.125 114.554 -0.031 0.000 2.922 336 T HA 0.609 4.961 4.350 0.003 0.000 0.285 336 T C 0.067 174.731 174.700 -0.059 0.000 1.005 336 T CA -0.262 61.829 62.100 -0.015 0.000 1.061 336 T CB 0.273 69.160 68.868 0.031 0.000 1.007 336 T HN 0.492 nan 8.240 nan 0.000 0.502 337 L N 4.175 125.301 121.223 -0.162 0.000 3.366 337 L HA 0.502 4.844 4.340 0.003 0.000 0.304 337 L C -0.418 176.152 176.870 -0.500 0.000 1.292 337 L CA -0.379 54.278 54.840 -0.306 0.000 1.012 337 L CB 1.303 43.126 42.059 -0.393 0.000 1.414 337 L HN 0.439 nan 8.230 nan 0.000 0.603 338 V N 0.138 119.876 119.914 -0.295 0.000 2.888 338 V HA 0.662 4.784 4.120 0.003 0.000 0.309 338 V C -1.556 174.460 176.094 -0.131 0.000 1.114 338 V CA -0.332 61.804 62.300 -0.274 0.000 0.940 338 V CB 2.745 34.383 31.823 -0.308 0.000 1.021 338 V HN 0.262 nan 8.190 nan 0.000 0.426 339 K N 2.884 123.222 120.400 -0.103 0.000 2.532 339 K HA 0.623 4.945 4.320 0.003 0.000 0.265 339 K C -0.982 175.581 176.600 -0.061 0.000 0.948 339 K CA -0.412 55.836 56.287 -0.066 0.000 0.842 339 K CB 2.437 34.912 32.500 -0.042 0.000 1.392 339 K HN 0.662 nan 8.250 nan 0.000 0.436 340 S N 2.107 117.770 115.700 -0.062 0.000 2.498 340 S HA 0.056 4.528 4.470 0.003 0.000 0.314 340 S C -0.693 173.870 174.600 -0.061 0.000 1.141 340 S CA -0.311 57.847 58.200 -0.071 0.000 1.087 340 S CB 0.025 63.181 63.200 -0.075 0.000 1.178 340 S HN 0.588 nan 8.310 nan 0.000 0.533 341 T N 6.289 120.817 114.554 -0.043 0.000 2.500 341 T HA -0.007 4.345 4.350 0.003 0.000 0.241 341 T C -1.920 172.739 174.700 -0.068 0.000 1.075 341 T CA -0.553 61.537 62.100 -0.017 0.000 1.323 341 T CB -0.739 68.173 68.868 0.073 0.000 1.061 341 T HN 0.354 nan 8.240 nan 0.000 0.498 342 P HA 0.094 nan 4.420 nan 0.000 0.271 342 P C -0.480 176.747 177.300 -0.122 0.000 1.233 342 P CA -0.370 62.682 63.100 -0.079 0.000 0.795 342 P CB 0.455 32.128 31.700 -0.045 0.000 0.936 343 V N 2.991 122.772 119.914 -0.222 0.000 2.293 343 V HA 0.279 4.401 4.120 0.003 0.000 0.275 343 V C -0.319 175.637 176.094 -0.231 0.000 1.021 343 V CA -0.266 61.861 62.300 -0.289 0.000 0.815 343 V CB 0.247 31.728 31.823 -0.570 0.000 1.025 343 V HN 0.469 nan 8.190 nan 0.000 0.448 344 N N 3.413 122.052 118.700 -0.102 0.000 2.483 344 N HA 0.357 5.099 4.740 0.003 0.000 0.267 344 N C -0.302 175.182 175.510 -0.043 0.000 0.998 344 N CA -0.375 52.637 53.050 -0.063 0.000 0.918 344 N CB 2.370 40.834 38.487 -0.039 0.000 1.215 344 N HN 0.493 nan 8.380 nan 0.000 0.500 345 V N 1.030 120.919 119.914 -0.041 0.000 2.673 345 V HA 0.357 4.479 4.120 0.003 0.000 0.303 345 V C -1.662 174.376 176.094 -0.092 0.000 1.046 345 V CA -1.027 61.223 62.300 -0.082 0.000 1.126 345 V CB -0.404 31.349 31.823 -0.116 0.000 0.934 345 V HN 0.492 nan 8.190 nan 0.000 0.487 346 P HA 0.463 nan 4.420 nan 0.000 0.281 346 P C 0.499 177.718 177.300 -0.135 0.000 1.249 346 P CA -0.569 62.368 63.100 -0.271 0.000 0.810 346 P CB 1.589 33.067 31.700 -0.370 0.000 1.008 347 I N -1.160 119.339 120.570 -0.119 0.000 3.790 347 I HA 0.105 4.277 4.170 0.003 0.000 0.305 347 I C 0.974 177.047 176.117 -0.074 0.000 1.253 347 I CA -0.174 61.097 61.300 -0.049 0.000 1.355 347 I CB -0.212 37.808 38.000 0.033 0.000 1.137 347 I HN 0.264 nan 8.210 nan 0.000 0.435 348 S N 0.666 116.323 115.700 -0.071 0.000 2.614 348 S HA 0.254 4.726 4.470 0.003 0.000 0.265 348 S C 0.587 175.196 174.600 0.015 0.000 1.303 348 S CA -0.242 57.951 58.200 -0.011 0.000 1.000 348 S CB 2.023 65.264 63.200 0.068 0.000 0.935 348 S HN 0.349 nan 8.310 nan 0.000 0.551 349 Q N 1.059 120.883 119.800 0.039 0.000 1.506 349 Q HA 0.305 4.647 4.340 0.003 0.000 0.553 349 Q C 0.069 176.135 176.000 0.110 0.000 0.912 349 Q CA 1.159 56.990 55.803 0.047 0.000 0.898 349 Q CB -0.391 28.359 28.738 0.020 0.000 1.064 349 Q HN 0.753 nan 8.270 nan 0.000 0.369 350 K N 1.016 121.477 120.400 0.101 0.000 1.985 350 K HA 0.040 4.362 4.320 0.003 0.000 0.234 350 K C -1.046 175.656 176.600 0.170 0.000 1.140 350 K CA 0.075 56.425 56.287 0.105 0.000 1.141 350 K CB -1.146 31.392 32.500 0.063 0.000 1.165 350 K HN 0.117 nan 8.250 nan 0.000 0.301 351 F N 1.407 121.371 119.950 0.023 0.000 2.371 351 F HA 0.434 4.963 4.527 0.003 0.000 0.329 351 F C 0.348 176.166 175.800 0.031 0.000 1.107 351 F CA -0.399 57.620 58.000 0.032 0.000 1.137 351 F CB 1.486 40.507 39.000 0.034 0.000 1.214 351 F HN 0.286 nan 8.300 nan 0.000 0.536 352 T N 3.848 117.687 114.554 -1.191 0.000 3.509 352 T HA 0.141 4.493 4.350 0.003 0.000 0.330 352 T C -1.457 172.589 174.700 -1.090 0.000 0.851 352 T CA -0.864 60.750 62.100 -0.811 0.000 1.057 352 T CB -0.222 68.427 68.868 -0.365 0.000 1.023 352 T HN 0.607 nan 8.240 nan 0.000 0.470 353 D N 4.327 124.235 120.400 -0.820 0.000 2.356 353 D HA 0.084 4.726 4.640 0.003 0.000 0.272 353 D C 1.362 177.574 176.300 -0.147 0.000 1.337 353 D CA -0.284 53.529 54.000 -0.312 0.000 0.970 353 D CB 0.339 41.161 40.800 0.037 0.000 1.092 353 D HN 0.649 nan 8.370 nan 0.000 0.516 354 L N 2.909 124.080 121.223 -0.086 0.000 2.549 354 L HA -0.063 4.279 4.340 0.003 0.000 0.229 354 L C 0.883 177.565 176.870 -0.314 0.000 1.158 354 L CA 0.522 55.274 54.840 -0.147 0.000 0.842 354 L CB -0.225 41.776 42.059 -0.097 0.000 0.952 354 L HN 0.398 nan 8.230 nan 0.000 0.452 355 F N -1.679 118.254 119.950 -0.028 0.000 2.805 355 F HA 0.127 4.656 4.527 0.003 0.000 0.317 355 F C 1.703 177.459 175.800 -0.073 0.000 1.146 355 F CA -0.355 57.599 58.000 -0.078 0.000 1.265 355 F CB 0.207 39.177 39.000 -0.050 0.000 0.992 355 F HN -0.118 nan 8.300 nan 0.000 0.511 356 E N 1.172 121.410 120.200 0.063 0.000 2.187 356 E HA -0.222 4.130 4.350 0.003 0.000 0.199 356 E C 1.914 178.550 176.600 0.060 0.000 1.004 356 E CA 1.765 58.196 56.400 0.052 0.000 0.813 356 E CB 0.115 29.823 29.700 0.014 0.000 0.736 356 E HN 0.064 nan 8.360 nan 0.000 0.468 357 K N -0.122 120.322 120.400 0.073 0.000 2.062 357 K HA -0.032 4.290 4.320 0.003 0.000 0.205 357 K C 1.215 177.910 176.600 0.159 0.000 1.051 357 K CA 0.413 56.788 56.287 0.147 0.000 0.941 357 K CB -0.464 32.205 32.500 0.281 0.000 0.719 357 K HN 0.327 nan 8.250 nan 0.000 0.440 358 M N 1.797 121.421 119.600 0.040 0.000 2.252 358 M HA -0.057 4.425 4.480 0.003 0.000 0.321 358 M C -0.443 175.869 176.300 0.020 0.000 1.070 358 M CA 0.247 55.549 55.300 0.004 0.000 1.143 358 M CB 0.607 33.079 32.600 -0.214 0.000 1.498 358 M HN -0.244 nan 8.290 nan 0.000 0.445 359 V N 5.904 125.832 119.914 0.022 0.000 2.481 359 V HA 0.326 4.448 4.120 0.003 0.000 0.286 359 V C -2.042 173.993 176.094 -0.098 0.000 1.042 359 V CA -1.664 60.627 62.300 -0.016 0.000 0.928 359 V CB 0.838 32.666 31.823 0.009 0.000 0.986 359 V HN 0.769 nan 8.190 nan 0.000 0.462 360 P HA -0.033 nan 4.420 nan 0.000 0.271 360 P C 0.807 177.986 177.300 -0.202 0.000 1.212 360 P CA 0.242 63.246 63.100 -0.161 0.000 0.788 360 P CB 0.600 32.228 31.700 -0.120 0.000 0.865 361 V N 0.796 120.551 119.914 -0.265 0.000 2.825 361 V HA -0.082 4.040 4.120 0.003 0.000 0.246 361 V C 2.139 177.982 176.094 -0.418 0.000 1.068 361 V CA 1.943 64.067 62.300 -0.293 0.000 1.088 361 V CB -0.366 31.282 31.823 -0.292 0.000 0.733 361 V HN 0.579 nan 8.190 nan 0.000 0.468 362 S N -0.963 114.420 115.700 -0.529 0.000 2.561 362 S HA -0.030 4.442 4.470 0.003 0.000 0.225 362 S C 1.619 175.994 174.600 -0.375 0.000 0.977 362 S CA 0.783 58.650 58.200 -0.555 0.000 0.926 362 S CB 0.158 63.034 63.200 -0.541 0.000 0.769 362 S HN 0.320 nan 8.310 nan 0.000 0.533 363 V N 0.505 120.231 119.914 -0.313 0.000 2.436 363 V HA 0.019 4.141 4.120 0.003 0.000 0.240 363 V C 2.423 178.319 176.094 -0.329 0.000 1.040 363 V CA 1.278 63.385 62.300 -0.322 0.000 1.052 363 V CB -0.531 31.198 31.823 -0.156 0.000 0.707 363 V HN 0.333 nan 8.190 nan 0.000 0.469 364 Q N 0.000 119.667 119.800 -0.222 0.000 2.096 364 Q HA -0.246 4.096 4.340 0.003 0.000 0.204 364 Q C 2.193 178.099 176.000 -0.157 0.000 0.982 364 Q CA 2.050 57.758 55.803 -0.158 0.000 0.850 364 Q CB -0.185 28.484 28.738 -0.116 0.000 0.901 364 Q HN 0.652 nan 8.270 nan 0.000 0.422 365 Q N -1.615 118.072 119.800 -0.188 0.000 2.187 365 Q HA 0.038 4.380 4.340 0.003 0.000 0.199 365 Q C 1.931 177.831 176.000 -0.166 0.000 0.957 365 Q CA 1.167 56.883 55.803 -0.144 0.000 0.857 365 Q CB 0.311 28.968 28.738 -0.135 0.000 0.929 365 Q HN 0.217 nan 8.270 nan 0.000 0.453 366 S N 0.467 115.988 115.700 -0.299 0.000 2.470 366 S HA -0.019 4.453 4.470 0.003 0.000 0.225 366 S C 1.551 175.897 174.600 -0.422 0.000 1.006 366 S CA 0.276 58.246 58.200 -0.383 0.000 0.934 366 S CB 0.087 62.922 63.200 -0.608 0.000 0.778 366 S HN 0.177 nan 8.310 nan 0.000 0.517 367 L N 1.502 122.491 121.223 -0.390 0.000 2.179 367 L HA 0.220 4.562 4.340 0.003 0.000 0.208 367 L C 2.173 179.104 176.870 0.102 0.000 1.096 367 L CA 1.186 55.963 54.840 -0.107 0.000 0.779 367 L CB -0.726 41.280 42.059 -0.088 0.000 0.922 367 L HN 0.268 nan 8.230 nan 0.000 0.443 368 A N -1.440 121.391 122.820 0.019 0.000 2.081 368 A HA 0.275 4.597 4.320 0.003 0.000 0.214 368 A C 2.196 179.810 177.584 0.050 0.000 1.158 368 A CA 0.810 52.872 52.037 0.043 0.000 0.724 368 A CB -0.518 18.483 19.000 0.001 0.000 0.826 368 A HN 0.351 nan 8.150 nan 0.000 0.463 369 A N -1.728 121.119 122.820 0.046 0.000 2.208 369 A HA 0.171 4.493 4.320 0.003 0.000 0.209 369 A C 1.736 179.399 177.584 0.131 0.000 1.161 369 A CA 0.984 53.057 52.037 0.059 0.000 0.782 369 A CB -0.587 18.435 19.000 0.037 0.000 0.816 369 A HN 0.718 nan 8.150 nan 0.000 0.477 370 Y N 0.516 120.862 120.300 0.076 0.000 2.397 370 Y HA 0.018 4.570 4.550 0.003 0.000 0.292 370 Y C 1.741 177.711 175.900 0.117 0.000 1.115 370 Y CA 1.358 59.545 58.100 0.145 0.000 1.208 370 Y CB -0.028 38.593 38.460 0.268 0.000 1.046 370 Y HN 0.264 nan 8.280 nan 0.000 0.552 371 N N 0.430 119.095 118.700 -0.058 0.000 2.459 371 N HA -0.119 4.623 4.740 0.003 0.000 0.181 371 N C 1.368 176.797 175.510 -0.134 0.000 1.046 371 N CA 0.938 53.899 53.050 -0.149 0.000 0.904 371 N CB -0.029 38.470 38.487 0.020 0.000 0.964 371 N HN 0.458 nan 8.380 nan 0.000 0.444 372 Q N 0.514 120.264 119.800 -0.084 0.000 2.163 372 Q HA 0.163 4.505 4.340 0.003 0.000 0.198 372 Q C 1.822 177.763 176.000 -0.099 0.000 0.954 372 Q CA 0.734 56.494 55.803 -0.071 0.000 0.851 372 Q CB 0.131 28.850 28.738 -0.032 0.000 0.928 372 Q HN 0.123 nan 8.270 nan 0.000 0.459 373 R N 0.386 120.822 120.500 -0.108 0.000 2.120 373 R HA -0.126 4.216 4.340 0.003 0.000 0.234 373 R C 1.966 178.153 176.300 -0.188 0.000 1.123 373 R CA 1.115 57.154 56.100 -0.103 0.000 0.975 373 R CB -0.313 29.970 30.300 -0.028 0.000 0.866 373 R HN 0.287 nan 8.270 nan 0.000 0.446 374 K N 0.821 121.030 120.400 -0.319 0.000 1.965 374 K HA -0.099 4.223 4.320 0.003 0.000 0.214 374 K C 2.096 178.553 176.600 -0.238 0.000 1.046 374 K CA 1.509 57.610 56.287 -0.310 0.000 0.944 374 K CB -0.207 32.092 32.500 -0.335 0.000 0.726 374 K HN 0.059 nan 8.250 nan 0.000 0.441 375 A N 1.851 124.569 122.820 -0.170 0.000 1.892 375 A HA -0.260 4.062 4.320 0.003 0.000 0.218 375 A C 1.891 179.400 177.584 -0.125 0.000 1.188 375 A CA 2.217 54.178 52.037 -0.126 0.000 0.631 375 A CB -0.933 18.017 19.000 -0.083 0.000 0.822 375 A HN 0.556 nan 8.150 nan 0.000 0.447 376 D N -0.599 119.733 120.400 -0.114 0.000 2.137 376 D HA -0.181 4.461 4.640 0.003 0.000 0.189 376 D C 1.858 178.089 176.300 -0.115 0.000 0.998 376 D CA 1.840 55.783 54.000 -0.095 0.000 0.839 376 D CB -0.389 40.367 40.800 -0.073 0.000 0.962 376 D HN 0.331 nan 8.370 nan 0.000 0.446 377 L N 0.788 121.920 121.223 -0.151 0.000 2.093 377 L HA -0.108 4.234 4.340 0.003 0.000 0.208 377 L C 2.278 179.016 176.870 -0.220 0.000 1.085 377 L CA 1.135 55.871 54.840 -0.174 0.000 0.755 377 L CB -0.404 41.538 42.059 -0.195 0.000 0.904 377 L HN -0.127 nan 8.230 nan 0.000 0.435 378 V N 0.116 119.865 119.914 -0.275 0.000 2.229 378 V HA -0.249 3.873 4.120 0.003 0.000 0.243 378 V C 2.336 178.344 176.094 -0.143 0.000 1.042 378 V CA 1.882 64.035 62.300 -0.245 0.000 1.000 378 V CB -0.860 30.817 31.823 -0.244 0.000 0.637 378 V HN 0.476 nan 8.190 nan 0.000 0.446 379 N N 0.269 118.897 118.700 -0.120 0.000 2.149 379 N HA -0.212 4.530 4.740 0.003 0.000 0.188 379 N C 1.952 177.415 175.510 -0.079 0.000 1.019 379 N CA 1.589 54.587 53.050 -0.088 0.000 0.857 379 N CB -0.478 37.961 38.487 -0.079 0.000 0.997 379 N HN 0.435 nan 8.380 nan 0.000 0.426 380 R N 0.712 121.162 120.500 -0.083 0.000 2.092 380 R HA 0.042 4.384 4.340 0.003 0.000 0.231 380 R C 2.016 178.279 176.300 -0.061 0.000 1.119 380 R CA 1.330 57.389 56.100 -0.067 0.000 0.970 380 R CB 0.074 30.335 30.300 -0.065 0.000 0.864 380 R HN 0.105 nan 8.270 nan 0.000 0.440 381 S N 0.365 116.022 115.700 -0.072 0.000 2.387 381 S HA -0.074 4.398 4.470 0.003 0.000 0.226 381 S C 1.750 176.322 174.600 -0.048 0.000 1.026 381 S CA 0.772 58.938 58.200 -0.057 0.000 0.972 381 S CB -0.124 63.037 63.200 -0.066 0.000 0.814 381 S HN 0.162 nan 8.310 nan 0.000 0.477 382 I N 2.343 122.880 120.570 -0.055 0.000 2.163 382 I HA -0.216 3.957 4.170 0.003 0.000 0.243 382 I C 2.495 178.586 176.117 -0.042 0.000 1.085 382 I CA 1.280 62.552 61.300 -0.046 0.000 1.347 382 I CB -0.623 37.347 38.000 -0.051 0.000 1.044 382 I HN 0.270 nan 8.210 nan 0.000 0.408 383 A N -0.962 121.831 122.820 -0.046 0.000 2.015 383 A HA -0.206 4.116 4.320 0.003 0.000 0.219 383 A C 2.203 179.766 177.584 -0.035 0.000 1.163 383 A CA 1.265 53.277 52.037 -0.043 0.000 0.646 383 A CB -0.521 18.451 19.000 -0.047 0.000 0.806 383 A HN 0.544 nan 8.150 nan 0.000 0.448 384 Q N -1.033 118.747 119.800 -0.032 0.000 2.245 384 Q HA -0.019 4.323 4.340 0.003 0.000 0.201 384 Q C 2.060 178.048 176.000 -0.021 0.000 0.955 384 Q CA 0.958 56.746 55.803 -0.025 0.000 0.870 384 Q CB -0.165 28.558 28.738 -0.024 0.000 0.945 384 Q HN 0.635 nan 8.270 nan 0.000 0.461 385 M N 0.293 119.880 119.600 -0.023 0.000 2.064 385 M HA -0.118 4.364 4.480 0.003 0.000 0.260 385 M C 2.043 178.333 176.300 -0.017 0.000 1.073 385 M CA 1.488 56.778 55.300 -0.018 0.000 1.124 385 M CB -0.664 31.925 32.600 -0.018 0.000 1.326 385 M HN 0.172 nan 8.290 nan 0.000 0.410 386 R N 0.719 121.205 120.500 -0.022 0.000 2.081 386 R HA -0.110 4.232 4.340 0.003 0.000 0.235 386 R C 1.869 178.157 176.300 -0.020 0.000 1.131 386 R CA 1.253 57.340 56.100 -0.023 0.000 0.960 386 R CB -0.840 29.441 30.300 -0.032 0.000 0.856 386 R HN 0.586 nan 8.270 nan 0.000 0.436 387 E N 0.751 120.938 120.200 -0.021 0.000 2.150 387 E HA -0.081 4.271 4.350 0.003 0.000 0.193 387 E C 2.037 178.629 176.600 -0.013 0.000 0.985 387 E CA 0.936 57.325 56.400 -0.018 0.000 0.814 387 E CB -0.025 29.663 29.700 -0.020 0.000 0.752 387 E HN 0.344 nan 8.360 nan 0.000 0.466 388 A N 1.107 123.919 122.820 -0.012 0.000 1.873 388 A HA -0.152 4.170 4.320 0.003 0.000 0.215 388 A C 2.405 179.985 177.584 -0.006 0.000 1.186 388 A CA 1.860 53.892 52.037 -0.009 0.000 0.616 388 A CB -0.805 18.190 19.000 -0.008 0.000 0.823 388 A HN 0.182 nan 8.150 nan 0.000 0.442 389 T N 0.066 114.617 114.554 -0.006 0.000 2.737 389 T HA -0.118 4.234 4.350 0.003 0.000 0.265 389 T C 2.013 176.714 174.700 0.001 0.000 1.038 389 T CA 1.908 64.007 62.100 -0.001 0.000 1.144 389 T CB -0.827 68.042 68.868 0.001 0.000 0.866 389 T HN 0.559 nan 8.240 nan 0.000 0.434 390 T N 2.880 117.431 114.554 -0.004 0.000 2.684 390 T HA -0.088 4.264 4.350 0.003 0.000 0.267 390 T C 1.917 176.616 174.700 -0.002 0.000 1.036 390 T CA 1.069 63.166 62.100 -0.005 0.000 1.148 390 T CB -0.649 68.211 68.868 -0.013 0.000 0.863 390 T HN 0.115 nan 8.240 nan 0.000 0.436 391 L N 1.673 122.894 121.223 -0.004 0.000 1.990 391 L HA -0.062 4.280 4.340 0.003 0.000 0.213 391 L C 2.687 179.555 176.870 -0.002 0.000 1.072 391 L CA 2.142 56.980 54.840 -0.003 0.000 0.755 391 L CB -1.261 40.796 42.059 -0.004 0.000 0.889 391 L HN 0.261 nan 8.230 nan 0.000 0.432 392 A N -0.410 122.408 122.820 -0.002 0.000 1.859 392 A HA -0.293 4.029 4.320 0.003 0.000 0.217 392 A C 2.188 179.771 177.584 -0.001 0.000 1.198 392 A CA 2.144 54.179 52.037 -0.003 0.000 0.629 392 A CB -1.097 17.902 19.000 -0.002 0.000 0.830 392 A HN 0.677 nan 8.150 nan 0.000 0.446 393 N N -0.267 118.438 118.700 0.008 0.000 2.091 393 N HA -0.185 4.557 4.740 0.003 0.000 0.193 393 N C 1.835 177.353 175.510 0.013 0.000 1.021 393 N CA 1.663 54.724 53.050 0.018 0.000 0.862 393 N CB -0.522 37.987 38.487 0.036 0.000 1.018 393 N HN 0.540 nan 8.380 nan 0.000 0.429 394 G N 0.743 109.547 108.800 0.007 0.000 2.408 394 G HA2 -0.140 3.822 3.960 0.003 0.000 0.217 394 G HA3 -0.140 3.822 3.960 0.003 0.000 0.217 394 G C 1.804 176.702 174.900 -0.004 0.000 1.150 394 G CA 0.589 45.692 45.100 0.005 0.000 0.776 394 G HN 0.172 nan 8.290 nan 0.000 0.542 395 V N 1.231 121.138 119.914 -0.011 0.000 2.270 395 V HA -0.145 3.977 4.120 0.003 0.000 0.245 395 V C 2.929 178.998 176.094 -0.043 0.000 1.043 395 V CA 1.611 63.896 62.300 -0.025 0.000 1.014 395 V CB -0.617 31.192 31.823 -0.024 0.000 0.645 395 V HN 0.365 nan 8.190 nan 0.000 0.447 396 L N 0.539 121.740 121.223 -0.037 0.000 2.010 396 L HA -0.292 4.050 4.340 0.003 0.000 0.219 396 L C 2.728 179.570 176.870 -0.047 0.000 1.077 396 L CA 2.119 56.931 54.840 -0.047 0.000 0.773 396 L CB -1.070 40.972 42.059 -0.028 0.000 0.892 396 L HN 0.379 nan 8.230 nan 0.000 0.436 397 A N 0.039 122.847 122.820 -0.021 0.000 1.898 397 A HA -0.201 4.121 4.320 0.003 0.000 0.216 397 A C 2.483 180.058 177.584 -0.016 0.000 1.181 397 A CA 1.895 53.928 52.037 -0.008 0.000 0.620 397 A CB -0.767 18.241 19.000 0.015 0.000 0.819 397 A HN 0.545 nan 8.150 nan 0.000 0.442 398 S N -0.905 114.782 115.700 -0.022 0.000 2.507 398 S HA 0.092 4.564 4.470 0.003 0.000 0.235 398 S C 1.224 175.788 174.600 -0.060 0.000 0.988 398 S CA 1.174 59.360 58.200 -0.023 0.000 0.944 398 S CB -0.316 62.874 63.200 -0.015 0.000 0.762 398 S HN 0.427 nan 8.310 nan 0.000 0.526 399 L N 0.489 121.642 121.223 -0.117 0.000 2.858 399 L HA 0.360 4.702 4.340 0.003 0.000 0.251 399 L C 0.188 176.932 176.870 -0.209 0.000 1.149 399 L CA -0.209 54.463 54.840 -0.280 0.000 0.955 399 L CB -0.302 41.505 42.059 -0.420 0.000 1.289 399 L HN 0.278 nan 8.230 nan 0.000 0.542 400 N N 1.679 120.338 118.700 -0.069 0.000 2.663 400 N HA -0.185 4.557 4.740 0.003 0.000 0.263 400 N C -1.382 174.125 175.510 -0.005 0.000 1.109 400 N CA 0.635 53.684 53.050 -0.002 0.000 0.701 400 N CB -0.984 37.541 38.487 0.063 0.000 0.879 400 N HN 0.277 nan 8.380 nan 0.000 0.550 401 L N 1.195 122.399 121.223 -0.031 0.000 2.472 401 L HA 0.530 4.872 4.340 0.003 0.000 0.260 401 L C -1.749 175.098 176.870 -0.038 0.000 0.963 401 L CA -1.467 53.349 54.840 -0.039 0.000 0.829 401 L CB 2.312 44.333 42.059 -0.064 0.000 1.348 401 L HN 0.008 nan 8.230 nan 0.000 0.408 402 P HA 0.107 nan 4.420 nan 0.000 0.249 402 P C 0.707 177.988 177.300 -0.033 0.000 1.544 402 P CA -0.025 63.047 63.100 -0.046 0.000 0.932 402 P CB 0.619 32.287 31.700 -0.053 0.000 1.524 403 A N 1.293 124.102 122.820 -0.017 0.000 1.902 403 A HA -0.072 4.250 4.320 0.003 0.000 0.217 403 A C 2.320 179.919 177.584 0.024 0.000 1.181 403 A CA 1.870 53.907 52.037 -0.000 0.000 0.623 403 A CB -1.241 17.764 19.000 0.008 0.000 0.818 403 A HN 0.298 nan 8.150 nan 0.000 0.443 404 A N 0.200 123.049 122.820 0.048 0.000 2.015 404 A HA 0.016 4.338 4.320 0.003 0.000 0.219 404 A C 2.027 179.656 177.584 0.075 0.000 1.163 404 A CA 1.416 53.521 52.037 0.113 0.000 0.646 404 A CB -0.685 18.453 19.000 0.231 0.000 0.806 404 A HN 0.971 nan 8.150 nan 0.000 0.448 405 I N -4.210 116.348 120.570 -0.021 0.000 3.645 405 I HA 0.159 4.331 4.170 0.003 0.000 0.300 405 I C 1.160 177.262 176.117 -0.025 0.000 1.260 405 I CA 0.674 61.935 61.300 -0.064 0.000 1.365 405 I CB -0.079 37.831 38.000 -0.150 0.000 1.077 405 I HN 0.113 nan 8.210 nan 0.000 0.439 406 E N 1.240 121.431 120.200 -0.015 0.000 2.445 406 E HA 0.004 4.356 4.350 0.003 0.000 0.189 406 E C -0.368 176.235 176.600 0.005 0.000 1.069 406 E CA 0.024 56.417 56.400 -0.011 0.000 0.871 406 E CB 0.010 29.698 29.700 -0.020 0.000 0.991 406 E HN 0.347 nan 8.360 nan 0.000 0.481 407 D N 0.527 120.940 120.400 0.023 0.000 2.564 407 D HA 0.063 4.705 4.640 0.003 0.000 0.226 407 D C 0.861 177.183 176.300 0.036 0.000 1.149 407 D CA -0.124 53.896 54.000 0.033 0.000 0.994 407 D CB 0.628 41.458 40.800 0.051 0.000 1.029 407 D HN -0.168 nan 8.370 nan 0.000 0.517 408 V N 1.095 121.023 119.914 0.023 0.000 2.216 408 V HA -0.115 4.007 4.120 0.003 0.000 0.243 408 V C 1.221 177.328 176.094 0.021 0.000 1.044 408 V CA 1.550 63.862 62.300 0.021 0.000 0.995 408 V CB -0.499 31.331 31.823 0.012 0.000 0.633 408 V HN 0.580 nan 8.190 nan 0.000 0.446 409 S N -0.611 115.098 115.700 0.016 0.000 2.578 409 S HA 0.595 5.067 4.470 0.003 0.000 0.301 409 S C 0.888 175.496 174.600 0.014 0.000 1.091 409 S CA -0.065 58.143 58.200 0.014 0.000 1.032 409 S CB 1.560 64.765 63.200 0.009 0.000 1.064 409 S HN 0.422 nan 8.310 nan 0.000 0.508 410 G N 0.335 109.143 108.800 0.013 0.000 2.509 410 G HA2 -0.100 3.862 3.960 0.003 0.000 0.218 410 G HA3 -0.100 3.862 3.960 0.003 0.000 0.218 410 G C 0.831 175.737 174.900 0.009 0.000 1.124 410 G CA 0.358 45.466 45.100 0.013 0.000 0.776 410 G HN 0.772 nan 8.290 nan 0.000 0.547 411 D N 0.251 120.655 120.400 0.007 0.000 2.104 411 D HA -0.046 4.596 4.640 0.003 0.000 0.194 411 D C 0.910 177.212 176.300 0.003 0.000 0.994 411 D CA 0.980 54.983 54.000 0.005 0.000 0.830 411 D CB 0.080 40.882 40.800 0.004 0.000 0.959 411 D HN 0.216 nan 8.370 nan 0.000 0.452 412 T N 0.236 114.792 114.554 0.003 0.000 2.925 412 T HA 0.359 4.711 4.350 0.003 0.000 0.285 412 T C 0.087 174.787 174.700 -0.000 0.000 1.021 412 T CA -0.789 61.312 62.100 0.000 0.000 1.042 412 T CB 2.867 71.734 68.868 -0.001 0.000 1.037 412 T HN -0.292 nan 8.240 nan 0.000 0.481 413 V N 4.647 124.558 119.914 -0.004 0.000 2.458 413 V HA 0.094 4.216 4.120 0.003 0.000 0.287 413 V C -1.827 174.260 176.094 -0.012 0.000 1.009 413 V CA -1.052 61.243 62.300 -0.008 0.000 1.091 413 V CB -0.485 31.330 31.823 -0.013 0.000 0.960 413 V HN 0.738 nan 8.190 nan 0.000 0.476 414 P HA 0.021 nan 4.420 nan 0.000 0.269 414 P C 0.548 177.831 177.300 -0.029 0.000 1.211 414 P CA -0.061 63.029 63.100 -0.016 0.000 0.781 414 P CB 0.576 32.269 31.700 -0.012 0.000 0.877 415 Q N 1.176 120.957 119.800 -0.032 0.000 2.123 415 Q HA -0.127 4.215 4.340 0.003 0.000 0.199 415 Q C 1.936 177.901 176.000 -0.059 0.000 0.966 415 Q CA 2.076 57.855 55.803 -0.040 0.000 0.845 415 Q CB -0.732 27.986 28.738 -0.034 0.000 0.907 415 Q HN 0.567 nan 8.270 nan 0.000 0.439 416 S N -0.559 115.101 115.700 -0.067 0.000 2.355 416 S HA -0.158 4.314 4.470 0.003 0.000 0.222 416 S C 1.853 176.374 174.600 -0.132 0.000 1.031 416 S CA 1.207 59.347 58.200 -0.100 0.000 0.993 416 S CB -0.561 62.583 63.200 -0.094 0.000 0.859 416 S HN 0.306 nan 8.310 nan 0.000 0.453 417 I N 1.565 122.075 120.570 -0.099 0.000 2.208 417 I HA -0.113 4.059 4.170 0.003 0.000 0.245 417 I C 2.399 178.461 176.117 -0.092 0.000 1.097 417 I CA 0.814 62.057 61.300 -0.095 0.000 1.363 417 I CB -0.759 37.211 38.000 -0.050 0.000 1.051 417 I HN 0.226 nan 8.210 nan 0.000 0.413 418 L N 0.046 121.227 121.223 -0.071 0.000 1.955 418 L HA -0.245 4.097 4.340 0.003 0.000 0.213 418 L C 2.637 179.463 176.870 -0.073 0.000 1.072 418 L CA 2.322 57.127 54.840 -0.058 0.000 0.755 418 L CB -1.317 40.716 42.059 -0.043 0.000 0.888 418 L HN 0.283 nan 8.230 nan 0.000 0.432 419 T N -0.629 113.875 114.554 -0.084 0.000 2.699 419 T HA -0.253 4.099 4.350 0.003 0.000 0.268 419 T C 1.901 176.524 174.700 -0.128 0.000 1.036 419 T CA 1.699 63.746 62.100 -0.089 0.000 1.147 419 T CB -0.196 68.619 68.868 -0.089 0.000 0.862 419 T HN 0.293 nan 8.240 nan 0.000 0.446 420 K N 0.810 121.079 120.400 -0.219 0.000 1.973 420 K HA -0.084 4.238 4.320 0.003 0.000 0.212 420 K C 2.801 179.321 176.600 -0.132 0.000 1.047 420 K CA 1.414 57.477 56.287 -0.374 0.000 0.937 420 K CB -0.541 31.588 32.500 -0.619 0.000 0.721 420 K HN 0.224 nan 8.250 nan 0.000 0.440 421 S N 0.923 116.568 115.700 -0.092 0.000 2.381 421 S HA -0.259 4.213 4.470 0.003 0.000 0.230 421 S C 1.988 176.561 174.600 -0.045 0.000 1.052 421 S CA 1.618 59.788 58.200 -0.050 0.000 1.068 421 S CB -0.193 62.980 63.200 -0.046 0.000 0.918 421 S HN 0.234 nan 8.310 nan 0.000 0.448 422 R N 0.278 120.754 120.500 -0.041 0.000 2.094 422 R HA -0.088 4.254 4.340 0.003 0.000 0.239 422 R C 2.736 179.031 176.300 -0.008 0.000 1.137 422 R CA 1.958 58.043 56.100 -0.025 0.000 0.943 422 R CB -0.728 29.557 30.300 -0.024 0.000 0.850 422 R HN 0.502 nan 8.270 nan 0.000 0.433 423 S N 0.358 116.068 115.700 0.017 0.000 2.359 423 S HA -0.126 4.346 4.470 0.003 0.000 0.224 423 S C 2.158 176.780 174.600 0.036 0.000 1.035 423 S CA 1.626 59.869 58.200 0.071 0.000 1.018 423 S CB -0.367 62.937 63.200 0.174 0.000 0.876 423 S HN 0.129 nan 8.310 nan 0.000 0.448 424 V N 2.177 122.063 119.914 -0.046 0.000 2.407 424 V HA -0.177 3.945 4.120 0.003 0.000 0.248 424 V C 2.041 177.992 176.094 -0.238 0.000 1.055 424 V CA 1.450 63.535 62.300 -0.357 0.000 1.049 424 V CB -1.041 30.479 31.823 -0.506 0.000 0.662 424 V HN 0.409 nan 8.190 nan 0.000 0.455 425 I N 1.443 121.948 120.570 -0.110 0.000 2.060 425 I HA -0.201 3.971 4.170 0.003 0.000 0.233 425 I C 2.063 178.175 176.117 -0.008 0.000 1.054 425 I CA 1.734 63.002 61.300 -0.054 0.000 1.318 425 I CB -0.604 37.377 38.000 -0.033 0.000 1.054 425 I HN 0.401 nan 8.210 nan 0.000 0.395 426 E N 0.979 121.183 120.200 0.006 0.000 2.322 426 E HA -0.106 4.246 4.350 0.003 0.000 0.195 426 E C 1.141 177.770 176.600 0.047 0.000 1.198 426 E CA 0.264 56.679 56.400 0.025 0.000 1.132 426 E CB -0.337 29.375 29.700 0.020 0.000 1.213 426 E HN 0.497 nan 8.360 nan 0.000 0.450 427 Q N -0.332 119.510 119.800 0.069 0.000 2.247 427 Q HA 0.248 4.590 4.340 0.003 0.000 0.211 427 Q C 0.780 176.866 176.000 0.143 0.000 0.861 427 Q CA 0.398 56.275 55.803 0.123 0.000 0.949 427 Q CB 0.465 29.326 28.738 0.205 0.000 1.115 427 Q HN 0.507 nan 8.270 nan 0.000 0.507 428 G N -1.303 107.561 108.800 0.106 0.000 2.617 428 G HA2 -0.093 3.869 3.960 0.003 0.000 0.197 428 G HA3 -0.093 3.869 3.960 0.003 0.000 0.197 428 G C 0.545 175.505 174.900 0.100 0.000 1.017 428 G CA -0.364 44.797 45.100 0.103 0.000 0.713 428 G HN 0.864 nan 8.290 nan 0.000 0.481 429 G N -0.272 108.588 108.800 0.100 0.000 2.632 429 G HA2 0.057 4.019 3.960 0.003 0.000 0.224 429 G HA3 0.057 4.019 3.960 0.003 0.000 0.224 429 G C 0.840 175.840 174.900 0.167 0.000 1.341 429 G CA 0.383 45.513 45.100 0.049 0.000 0.880 429 G HN 1.459 nan 8.290 nan 0.000 0.566 430 I N 0.519 121.170 120.570 0.135 0.000 2.423 430 I HA -0.112 4.060 4.170 0.003 0.000 0.254 430 I C 2.619 178.851 176.117 0.191 0.000 1.151 430 I CA 2.680 64.110 61.300 0.218 0.000 1.421 430 I CB -0.514 37.582 38.000 0.159 0.000 1.079 430 I HN 0.593 nan 8.210 nan 0.000 0.431 431 Q N -0.138 119.741 119.800 0.131 0.000 2.197 431 Q HA -0.203 4.139 4.340 0.003 0.000 0.207 431 Q C 2.154 178.204 176.000 0.083 0.000 0.984 431 Q CA 2.577 58.437 55.803 0.096 0.000 0.869 431 Q CB -0.563 28.217 28.738 0.070 0.000 0.906 431 Q HN 0.718 nan 8.270 nan 0.000 0.426 432 T N -2.971 111.645 114.554 0.104 0.000 3.023 432 T HA -0.007 4.345 4.350 0.003 0.000 0.266 432 T C 1.758 176.457 174.700 -0.002 0.000 1.093 432 T CA 0.906 63.038 62.100 0.055 0.000 1.129 432 T CB -0.177 68.731 68.868 0.066 0.000 0.899 432 T HN 0.034 nan 8.240 nan 0.000 0.491 433 V N 2.394 122.323 119.914 0.025 0.000 2.446 433 V HA -0.073 4.049 4.120 0.003 0.000 0.244 433 V C 2.398 178.413 176.094 -0.133 0.000 1.039 433 V CA 1.471 63.719 62.300 -0.086 0.000 1.045 433 V CB -0.472 31.354 31.823 0.005 0.000 0.681 433 V HN 0.393 nan 8.190 nan 0.000 0.459 434 D N -0.254 120.157 120.400 0.019 0.000 2.144 434 D HA -0.172 4.470 4.640 0.003 0.000 0.199 434 D C 2.229 178.523 176.300 -0.010 0.000 0.984 434 D CA 0.931 54.958 54.000 0.045 0.000 0.834 434 D CB -0.251 40.621 40.800 0.120 0.000 0.955 434 D HN 0.361 nan 8.370 nan 0.000 0.465 435 Q N 0.339 120.134 119.800 -0.008 0.000 2.002 435 Q HA -0.103 4.239 4.340 0.003 0.000 0.204 435 Q C 2.656 178.631 176.000 -0.042 0.000 0.988 435 Q CA 0.907 56.702 55.803 -0.014 0.000 0.843 435 Q CB -0.465 28.270 28.738 -0.006 0.000 0.908 435 Q HN 0.372 nan 8.270 nan 0.000 0.420 436 L N -0.215 120.962 121.223 -0.078 0.000 2.093 436 L HA -0.168 4.174 4.340 0.003 0.000 0.208 436 L C 2.449 179.249 176.870 -0.116 0.000 1.085 436 L CA 0.388 55.172 54.840 -0.093 0.000 0.755 436 L CB -0.317 41.669 42.059 -0.122 0.000 0.904 436 L HN 0.178 nan 8.230 nan 0.000 0.435 437 I N 0.219 120.672 120.570 -0.195 0.000 2.493 437 I HA -0.253 3.919 4.170 0.003 0.000 0.254 437 I C 2.443 178.509 176.117 -0.086 0.000 1.160 437 I CA 1.348 62.515 61.300 -0.222 0.000 1.445 437 I CB -0.138 37.546 38.000 -0.527 0.000 1.086 437 I HN 0.116 nan 8.210 nan 0.000 0.433 438 K N 1.085 121.455 120.400 -0.049 0.000 2.044 438 K HA -0.176 4.146 4.320 0.003 0.000 0.204 438 K C 1.960 178.559 176.600 -0.003 0.000 1.049 438 K CA 1.805 58.088 56.287 -0.006 0.000 0.945 438 K CB -0.215 32.290 32.500 0.008 0.000 0.724 438 K HN 0.521 nan 8.250 nan 0.000 0.440 439 E N 0.335 120.530 120.200 -0.008 0.000 2.371 439 E HA -0.114 4.238 4.350 0.003 0.000 0.194 439 E C 1.973 178.582 176.600 0.015 0.000 1.012 439 E CA 0.601 57.003 56.400 0.003 0.000 0.860 439 E CB -0.278 29.423 29.700 0.001 0.000 0.811 439 E HN 0.286 nan 8.360 nan 0.000 0.502 440 L N 2.128 123.361 121.223 0.017 0.000 1.988 440 L HA -0.027 4.315 4.340 0.003 0.000 0.207 440 L C -0.778 176.124 176.870 0.054 0.000 1.071 440 L CA 1.766 56.639 54.840 0.055 0.000 0.744 440 L CB -0.884 41.208 42.059 0.055 0.000 0.893 440 L HN 0.037 nan 8.230 nan 0.000 0.433 441 P HA -0.192 nan 4.420 nan 0.000 0.219 441 P C 1.147 178.448 177.300 0.001 0.000 1.146 441 P CA 1.556 64.663 63.100 0.012 0.000 0.808 441 P CB -0.092 31.615 31.700 0.012 0.000 0.779 442 E N -0.183 120.021 120.200 0.008 0.000 2.047 442 E HA -0.106 4.246 4.350 0.003 0.000 0.191 442 E C 2.191 178.792 176.600 0.001 0.000 0.987 442 E CA 0.857 57.259 56.400 0.003 0.000 0.799 442 E CB -0.529 29.175 29.700 0.007 0.000 0.752 442 E HN 0.252 nan 8.360 nan 0.000 0.449 443 L N 0.783 122.017 121.223 0.017 0.000 2.201 443 L HA -0.156 4.186 4.340 0.003 0.000 0.212 443 L C 2.483 179.346 176.870 -0.013 0.000 1.105 443 L CA 0.258 55.113 54.840 0.025 0.000 0.775 443 L CB -0.152 41.952 42.059 0.074 0.000 0.913 443 L HN 0.182 nan 8.230 nan 0.000 0.440 444 L N -0.615 120.582 121.223 -0.045 0.000 2.027 444 L HA -0.224 4.118 4.340 0.003 0.000 0.206 444 L C 2.516 179.330 176.870 -0.094 0.000 1.074 444 L CA 1.662 56.418 54.840 -0.140 0.000 0.745 444 L CB -0.434 41.541 42.059 -0.140 0.000 0.898 444 L HN 0.160 nan 8.230 nan 0.000 0.433 445 Q N 0.369 120.138 119.800 -0.053 0.000 2.050 445 Q HA -0.246 4.096 4.340 0.003 0.000 0.202 445 Q C 2.469 178.447 176.000 -0.037 0.000 0.980 445 Q CA 2.124 57.904 55.803 -0.039 0.000 0.840 445 Q CB -0.464 28.260 28.738 -0.023 0.000 0.898 445 Q HN 0.558 nan 8.270 nan 0.000 0.424 446 R N -0.254 120.228 120.500 -0.030 0.000 2.140 446 R HA -0.236 4.106 4.340 0.003 0.000 0.250 446 R C 1.267 177.545 176.300 -0.036 0.000 1.150 446 R CA 2.057 58.142 56.100 -0.026 0.000 0.966 446 R CB -0.267 30.023 30.300 -0.016 0.000 0.869 446 R HN 0.324 nan 8.270 nan 0.000 0.445 447 N N -0.112 118.558 118.700 -0.050 0.000 2.300 447 N HA -0.041 4.701 4.740 0.003 0.000 0.179 447 N C 1.590 177.063 175.510 -0.062 0.000 1.016 447 N CA 0.677 53.691 53.050 -0.060 0.000 0.876 447 N CB -0.153 38.288 38.487 -0.077 0.000 0.979 447 N HN 0.138 nan 8.380 nan 0.000 0.432 448 R N 1.207 121.672 120.500 -0.058 0.000 2.105 448 R HA -0.096 4.246 4.340 0.003 0.000 0.239 448 R C 1.619 177.896 176.300 -0.037 0.000 1.135 448 R CA 1.191 57.263 56.100 -0.047 0.000 0.967 448 R CB -0.377 29.899 30.300 -0.041 0.000 0.861 448 R HN 0.541 nan 8.270 nan 0.000 0.442 449 E N 0.109 120.289 120.200 -0.034 0.000 2.072 449 E HA -0.097 4.255 4.350 0.003 0.000 0.191 449 E C 2.020 178.603 176.600 -0.030 0.000 0.985 449 E CA 0.652 57.036 56.400 -0.027 0.000 0.801 449 E CB -0.067 29.619 29.700 -0.024 0.000 0.750 449 E HN 0.128 nan 8.360 nan 0.000 0.452 450 I N 0.997 121.545 120.570 -0.036 0.000 2.208 450 I HA -0.223 3.949 4.170 0.003 0.000 0.245 450 I C 2.441 178.538 176.117 -0.034 0.000 1.097 450 I CA 1.008 62.286 61.300 -0.037 0.000 1.363 450 I CB -0.838 37.136 38.000 -0.043 0.000 1.051 450 I HN 0.177 nan 8.210 nan 0.000 0.413 451 L N 1.032 122.222 121.223 -0.054 0.000 2.005 451 L HA -0.196 4.146 4.340 0.003 0.000 0.207 451 L C 2.043 178.909 176.870 -0.007 0.000 1.072 451 L CA 1.993 56.798 54.840 -0.058 0.000 0.744 451 L CB -0.634 41.367 42.059 -0.097 0.000 0.895 451 L HN 0.177 nan 8.230 nan 0.000 0.433 452 D N -0.783 119.608 120.400 -0.015 0.000 2.234 452 D HA -0.138 4.504 4.640 0.003 0.000 0.205 452 D C 2.032 178.325 176.300 -0.011 0.000 0.962 452 D CA 0.831 54.827 54.000 -0.006 0.000 0.855 452 D CB -0.023 40.772 40.800 -0.009 0.000 0.951 452 D HN 0.523 nan 8.370 nan 0.000 0.500 453 E N 0.568 120.757 120.200 -0.018 0.000 2.110 453 E HA -0.094 4.258 4.350 0.003 0.000 0.193 453 E C 1.913 178.491 176.600 -0.037 0.000 0.988 453 E CA 0.857 57.242 56.400 -0.026 0.000 0.804 453 E CB 0.115 29.797 29.700 -0.029 0.000 0.745 453 E HN 0.095 nan 8.360 nan 0.000 0.458 454 S N 0.710 116.392 115.700 -0.029 0.000 2.414 454 S HA -0.011 4.461 4.470 0.003 0.000 0.227 454 S C 1.914 176.476 174.600 -0.064 0.000 1.022 454 S CA 0.347 58.510 58.200 -0.062 0.000 0.958 454 S CB 0.074 63.262 63.200 -0.019 0.000 0.797 454 S HN 0.187 nan 8.310 nan 0.000 0.493 455 L N 0.961 122.185 121.223 0.002 0.000 2.162 455 L HA 0.120 4.463 4.340 0.003 0.000 0.205 455 L C 2.711 179.558 176.870 -0.037 0.000 1.086 455 L CA 0.653 55.493 54.840 0.000 0.000 0.778 455 L CB -0.133 41.953 42.059 0.044 0.000 0.928 455 L HN 0.194 nan 8.230 nan 0.000 0.446 456 R N -0.038 120.445 120.500 -0.030 0.000 2.083 456 R HA -0.203 4.139 4.340 0.003 0.000 0.237 456 R C 2.287 178.559 176.300 -0.048 0.000 1.137 456 R CA 1.591 57.673 56.100 -0.029 0.000 0.951 456 R CB -0.440 29.847 30.300 -0.022 0.000 0.851 456 R HN 0.327 nan 8.270 nan 0.000 0.434 457 L N 0.737 121.919 121.223 -0.070 0.000 2.021 457 L HA -0.281 4.061 4.340 0.003 0.000 0.215 457 L C 2.463 179.256 176.870 -0.128 0.000 1.074 457 L CA 1.575 56.362 54.840 -0.088 0.000 0.760 457 L CB -0.362 41.630 42.059 -0.112 0.000 0.889 457 L HN 0.268 nan 8.230 nan 0.000 0.433 458 L N -1.032 120.067 121.223 -0.207 0.000 2.056 458 L HA -0.237 4.105 4.340 0.003 0.000 0.207 458 L C 2.122 178.910 176.870 -0.138 0.000 1.078 458 L CA 1.187 55.811 54.840 -0.360 0.000 0.749 458 L CB -0.599 41.183 42.059 -0.463 0.000 0.901 458 L HN 0.242 nan 8.230 nan 0.000 0.433 459 D N -0.539 119.826 120.400 -0.058 0.000 2.178 459 D HA -0.175 4.467 4.640 0.003 0.000 0.202 459 D C 2.155 178.468 176.300 0.021 0.000 0.974 459 D CA 0.693 54.699 54.000 0.010 0.000 0.841 459 D CB 0.043 40.849 40.800 0.010 0.000 0.953 459 D HN 0.216 nan 8.370 nan 0.000 0.478 460 E N 0.626 120.825 120.200 -0.001 0.000 2.007 460 E HA -0.191 4.161 4.350 0.003 0.000 0.194 460 E C 1.908 178.526 176.600 0.030 0.000 0.999 460 E CA 0.825 57.229 56.400 0.007 0.000 0.811 460 E CB 0.011 29.707 29.700 -0.006 0.000 0.762 460 E HN 0.215 nan 8.360 nan 0.000 0.450 461 E N 1.002 121.231 120.200 0.048 0.000 2.058 461 E HA -0.243 4.109 4.350 0.003 0.000 0.194 461 E C 1.987 178.676 176.600 0.148 0.000 0.997 461 E CA 1.313 57.775 56.400 0.104 0.000 0.801 461 E CB -0.234 29.561 29.700 0.158 0.000 0.746 461 E HN 0.331 nan 8.360 nan 0.000 0.450 462 E N -0.076 120.254 120.200 0.218 0.000 2.086 462 E HA -0.245 4.107 4.350 0.003 0.000 0.200 462 E C 1.929 178.588 176.600 0.097 0.000 1.012 462 E CA 1.438 57.962 56.400 0.206 0.000 0.812 462 E CB -0.181 29.659 29.700 0.233 0.000 0.743 462 E HN 0.283 nan 8.360 nan 0.000 0.453 463 A N 0.365 123.223 122.820 0.064 0.000 1.972 463 A HA -0.203 4.119 4.320 0.003 0.000 0.219 463 A C 2.382 179.959 177.584 -0.011 0.000 1.169 463 A CA 2.355 54.407 52.037 0.024 0.000 0.635 463 A CB -1.043 17.967 19.000 0.017 0.000 0.810 463 A HN 0.575 nan 8.150 nan 0.000 0.446 464 T N -2.645 111.897 114.554 -0.019 0.000 2.812 464 T HA -0.143 4.209 4.350 0.003 0.000 0.264 464 T C 1.578 176.176 174.700 -0.170 0.000 1.042 464 T CA 1.575 63.622 62.100 -0.089 0.000 1.140 464 T CB -0.483 68.335 68.868 -0.083 0.000 0.870 464 T HN 0.340 nan 8.240 nan 0.000 0.445 465 D N 1.910 122.263 120.400 -0.078 0.000 2.133 465 D HA -0.153 4.489 4.640 0.003 0.000 0.192 465 D C 2.030 178.254 176.300 -0.126 0.000 1.001 465 D CA 1.404 55.370 54.000 -0.058 0.000 0.844 465 D CB -0.314 40.573 40.800 0.146 0.000 0.944 465 D HN 0.372 nan 8.370 nan 0.000 0.447 466 N N 0.358 119.026 118.700 -0.053 0.000 2.051 466 N HA -0.122 4.620 4.740 0.003 0.000 0.192 466 N C 1.463 176.936 175.510 -0.062 0.000 1.049 466 N CA 1.234 54.266 53.050 -0.030 0.000 0.845 466 N CB -0.868 37.620 38.487 0.002 0.000 1.031 466 N HN 0.224 nan 8.380 nan 0.000 0.425 467 D N 0.761 121.119 120.400 -0.069 0.000 2.220 467 D HA -0.142 4.500 4.640 0.003 0.000 0.198 467 D C 1.979 178.233 176.300 -0.076 0.000 1.001 467 D CA 0.685 54.649 54.000 -0.060 0.000 0.875 467 D CB -0.153 40.611 40.800 -0.061 0.000 0.921 467 D HN 0.199 nan 8.370 nan 0.000 0.454 468 L N -0.328 120.765 121.223 -0.218 0.000 2.005 468 L HA -0.127 4.215 4.340 0.003 0.000 0.207 468 L C 2.481 179.288 176.870 -0.105 0.000 1.072 468 L CA 1.240 55.876 54.840 -0.340 0.000 0.744 468 L CB -0.204 41.256 42.059 -0.999 0.000 0.895 468 L HN -0.030 nan 8.230 nan 0.000 0.433 469 R N 0.195 120.639 120.500 -0.093 0.000 2.062 469 R HA -0.043 4.299 4.340 0.003 0.000 0.231 469 R C 1.930 178.287 176.300 0.095 0.000 1.136 469 R CA 1.212 57.369 56.100 0.096 0.000 0.948 469 R CB -0.600 29.786 30.300 0.143 0.000 0.845 469 R HN 0.270 nan 8.270 nan 0.000 0.430 470 A N 0.639 123.488 122.820 0.049 0.000 2.176 470 A HA -0.029 4.293 4.320 0.003 0.000 0.214 470 A C 0.713 178.318 177.584 0.034 0.000 1.327 470 A CA 0.935 52.994 52.037 0.037 0.000 1.015 470 A CB -0.205 18.807 19.000 0.020 0.000 0.818 470 A HN 0.280 nan 8.150 nan 0.000 0.500 471 K N -2.399 118.043 120.400 0.071 0.000 2.582 471 K HA 0.249 4.571 4.320 0.003 0.000 0.191 471 K C -1.076 175.527 176.600 0.006 0.000 1.593 471 K CA -0.118 56.193 56.287 0.039 0.000 1.040 471 K CB 0.581 33.117 32.500 0.060 0.000 1.374 471 K HN 0.308 nan 8.250 nan 0.000 0.608 472 F N 1.177 121.117 119.950 -0.017 0.000 2.522 472 F HA 0.306 4.835 4.527 0.003 0.000 0.324 472 F C 0.815 176.635 175.800 0.032 0.000 1.077 472 F CA -0.833 57.172 58.000 0.008 0.000 0.944 472 F CB 1.549 40.559 39.000 0.016 0.000 1.175 472 F HN -0.301 nan 8.300 nan 0.000 0.468 473 K N 0.664 121.132 120.400 0.113 0.000 2.664 473 K HA -0.086 4.236 4.320 0.003 0.000 0.193 473 K C -0.167 176.523 176.600 0.149 0.000 1.028 473 K CA 0.651 56.990 56.287 0.087 0.000 1.005 473 K CB -0.323 32.205 32.500 0.047 0.000 0.815 473 K HN 0.497 nan 8.250 nan 0.000 0.496 474 E N 0.252 120.586 120.200 0.224 0.000 2.442 474 E HA -0.223 4.129 4.350 0.003 0.000 0.256 474 E C 0.580 177.282 176.600 0.169 0.000 1.095 474 E CA 0.543 57.061 56.400 0.195 0.000 0.747 474 E CB -0.886 28.887 29.700 0.122 0.000 1.310 474 E HN 0.496 nan 8.360 nan 0.000 0.396 475 R N -0.738 119.896 120.500 0.223 0.000 2.093 475 R HA -0.043 4.299 4.340 0.003 0.000 0.224 475 R C 0.909 177.295 176.300 0.144 0.000 1.101 475 R CA 0.600 56.796 56.100 0.159 0.000 0.979 475 R CB -0.027 30.381 30.300 0.181 0.000 0.877 475 R HN 0.330 nan 8.270 nan 0.000 0.441 476 W N 4.421 125.708 121.300 -0.021 0.000 2.605 476 W HA -0.003 4.659 4.660 0.004 0.000 0.327 476 W C -0.204 176.307 176.519 -0.013 0.000 1.332 476 W CA 0.509 57.825 57.345 -0.049 0.000 1.403 476 W CB 0.439 29.851 29.460 -0.081 0.000 1.452 476 W HN 0.367 nan 8.180 nan 0.000 0.503 477 Q N 4.985 124.716 119.800 -0.115 0.000 2.063 477 Q HA 0.154 4.496 4.340 0.003 0.000 0.258 477 Q C -0.243 175.655 176.000 -0.169 0.000 0.855 477 Q CA -0.484 55.274 55.803 -0.074 0.000 1.057 477 Q CB 0.335 29.065 28.738 -0.013 0.000 1.267 477 Q HN 0.352 nan 8.270 nan 0.000 0.419 478 R N 0.086 120.383 120.500 -0.337 0.000 2.732 478 R HA 0.479 4.821 4.340 0.003 0.000 0.278 478 R C -0.917 175.234 176.300 -0.249 0.000 0.976 478 R CA -0.091 55.827 56.100 -0.304 0.000 0.963 478 R CB 0.536 30.603 30.300 -0.387 0.000 1.150 478 R HN 0.100 nan 8.270 nan 0.000 0.478 479 T N 3.653 118.105 114.554 -0.170 0.000 2.196 479 T HA -0.077 4.275 4.350 0.003 0.000 0.176 479 T C -2.291 172.353 174.700 -0.093 0.000 1.047 479 T CA 0.060 62.087 62.100 -0.123 0.000 1.355 479 T CB -0.622 68.167 68.868 -0.131 0.000 0.970 479 T HN 0.453 nan 8.240 nan 0.000 0.419 480 P HA 0.138 nan 4.420 nan 0.000 0.263 480 P C 0.673 177.916 177.300 -0.095 0.000 1.195 480 P CA 0.032 63.122 63.100 -0.017 0.000 0.762 480 P CB 0.589 32.285 31.700 -0.007 0.000 0.799 481 S N 2.793 118.434 115.700 -0.100 0.000 2.382 481 S HA -0.154 4.318 4.470 0.003 0.000 0.228 481 S C 1.712 176.047 174.600 -0.443 0.000 1.027 481 S CA 1.495 59.492 58.200 -0.337 0.000 0.991 481 S CB -0.662 62.435 63.200 -0.172 0.000 0.823 481 S HN 0.664 nan 8.310 nan 0.000 0.469 482 N N 1.542 120.170 118.700 -0.121 0.000 2.223 482 N HA -0.152 4.590 4.740 0.003 0.000 0.185 482 N C 1.220 176.716 175.510 -0.023 0.000 1.016 482 N CA 1.019 54.068 53.050 -0.001 0.000 0.863 482 N CB -0.489 38.032 38.487 0.057 0.000 0.983 482 N HN 0.320 nan 8.380 nan 0.000 0.429 483 E N 0.396 120.561 120.200 -0.059 0.000 2.204 483 E HA -0.075 4.277 4.350 0.003 0.000 0.194 483 E C 1.900 178.458 176.600 -0.071 0.000 0.989 483 E CA 0.335 56.709 56.400 -0.043 0.000 0.824 483 E CB -0.103 29.573 29.700 -0.039 0.000 0.756 483 E HN 0.365 nan 8.360 nan 0.000 0.477 484 L N -0.157 120.955 121.223 -0.185 0.000 2.270 484 L HA -0.085 4.257 4.340 0.003 0.000 0.210 484 L C 0.665 177.472 176.870 -0.106 0.000 1.104 484 L CA 0.861 55.572 54.840 -0.215 0.000 0.804 484 L CB 0.076 41.906 42.059 -0.382 0.000 0.937 484 L HN -0.013 nan 8.230 nan 0.000 0.450 485 Y N 0.073 120.393 120.300 0.034 0.000 2.928 485 Y HA 0.174 4.726 4.550 0.003 0.000 0.390 485 Y C 1.531 177.463 175.900 0.053 0.000 1.101 485 Y CA -0.637 57.487 58.100 0.040 0.000 1.777 485 Y CB -0.897 37.586 38.460 0.039 0.000 1.720 485 Y HN 0.186 nan 8.280 nan 0.000 0.484 486 K N 1.841 122.339 120.400 0.164 0.000 1.975 486 K HA -0.027 4.295 4.320 0.003 0.000 0.210 486 K C -0.856 175.826 176.600 0.136 0.000 1.041 486 K CA 0.970 57.330 56.287 0.122 0.000 0.942 486 K CB -0.718 31.828 32.500 0.078 0.000 0.729 486 K HN 0.162 nan 8.250 nan 0.000 0.439 487 P HA -0.015 nan 4.420 nan 0.000 0.235 487 P C 1.262 178.679 177.300 0.195 0.000 1.177 487 P CA 0.849 64.033 63.100 0.140 0.000 0.785 487 P CB 0.128 31.900 31.700 0.122 0.000 0.885 488 L N -0.764 120.587 121.223 0.213 0.000 2.313 488 L HA 0.058 4.400 4.340 0.003 0.000 0.214 488 L C 2.800 179.863 176.870 0.322 0.000 1.119 488 L CA 0.894 55.901 54.840 0.278 0.000 0.809 488 L CB -0.439 41.692 42.059 0.121 0.000 0.933 488 L HN -0.151 nan 8.230 nan 0.000 0.449 489 R N -0.339 120.294 120.500 0.222 0.000 2.140 489 R HA 0.089 4.431 4.340 0.003 0.000 0.213 489 R C 2.431 178.827 176.300 0.160 0.000 1.059 489 R CA 0.879 57.090 56.100 0.186 0.000 1.000 489 R CB -0.247 30.140 30.300 0.145 0.000 0.910 489 R HN 0.273 nan 8.270 nan 0.000 0.455 490 A N 1.783 124.691 122.820 0.146 0.000 1.917 490 A HA -0.232 4.090 4.320 0.003 0.000 0.219 490 A C 1.886 179.533 177.584 0.106 0.000 1.182 490 A CA 1.568 53.669 52.037 0.107 0.000 0.633 490 A CB -0.328 18.729 19.000 0.095 0.000 0.819 490 A HN 0.322 nan 8.150 nan 0.000 0.448 491 E N -0.886 119.419 120.200 0.174 0.000 2.047 491 E HA -0.073 4.279 4.350 0.003 0.000 0.191 491 E C 2.243 179.003 176.600 0.266 0.000 0.987 491 E CA 0.639 57.155 56.400 0.194 0.000 0.799 491 E CB -0.447 29.484 29.700 0.385 0.000 0.752 491 E HN 0.599 nan 8.360 nan 0.000 0.449 492 G N 1.117 110.060 108.800 0.238 0.000 2.529 492 G HA2 -0.357 3.605 3.960 0.003 0.000 0.219 492 G HA3 -0.357 3.605 3.960 0.003 0.000 0.219 492 G C 1.653 176.633 174.900 0.132 0.000 1.177 492 G CA 1.758 46.957 45.100 0.166 0.000 0.773 492 G HN 0.223 nan 8.290 nan 0.000 0.573 493 T N 1.013 115.625 114.554 0.098 0.000 2.665 493 T HA -0.198 4.154 4.350 0.003 0.000 0.268 493 T C 2.282 177.000 174.700 0.030 0.000 1.035 493 T CA 1.595 63.730 62.100 0.057 0.000 1.151 493 T CB -0.400 68.494 68.868 0.044 0.000 0.862 493 T HN 0.311 nan 8.240 nan 0.000 0.438 494 N N 0.419 119.116 118.700 -0.004 0.000 2.084 494 N HA 0.005 4.747 4.740 0.003 0.000 0.190 494 N C 1.513 176.936 175.510 -0.144 0.000 1.030 494 N CA 1.049 54.036 53.050 -0.105 0.000 0.849 494 N CB -0.499 37.867 38.487 -0.200 0.000 1.012 494 N HN 0.347 nan 8.380 nan 0.000 0.423 495 F N 0.409 120.284 119.950 -0.126 0.000 2.161 495 F HA -0.140 4.389 4.527 0.003 0.000 0.300 495 F C 2.461 178.201 175.800 -0.100 0.000 1.089 495 F CA 0.944 58.854 58.000 -0.149 0.000 1.282 495 F CB -0.112 38.727 39.000 -0.269 0.000 1.010 495 F HN -0.017 nan 8.300 nan 0.000 0.485 496 R N 0.537 121.096 120.500 0.097 0.000 2.064 496 R HA -0.117 4.225 4.340 0.003 0.000 0.228 496 R C 2.127 178.437 176.300 0.017 0.000 1.144 496 R CA 2.322 58.449 56.100 0.044 0.000 0.932 496 R CB -1.140 29.182 30.300 0.036 0.000 0.833 496 R HN 0.160 nan 8.270 nan 0.000 0.429 497 T N -0.115 114.442 114.554 0.005 0.000 2.822 497 T HA -0.129 4.223 4.350 0.003 0.000 0.270 497 T C 1.805 176.500 174.700 -0.007 0.000 1.064 497 T CA 1.364 63.461 62.100 -0.005 0.000 1.131 497 T CB -0.317 68.543 68.868 -0.013 0.000 0.858 497 T HN 0.017 nan 8.240 nan 0.000 0.483 498 V N 0.873 120.778 119.914 -0.014 0.000 2.453 498 V HA -0.031 4.091 4.120 0.003 0.000 0.247 498 V C 2.364 178.470 176.094 0.020 0.000 1.048 498 V CA 1.298 63.600 62.300 0.003 0.000 1.049 498 V CB -0.456 31.353 31.823 -0.023 0.000 0.672 498 V HN 0.450 nan 8.190 nan 0.000 0.457 499 L N -0.646 120.578 121.223 0.002 0.000 2.162 499 L HA -0.059 4.283 4.340 0.003 0.000 0.205 499 L C 2.330 179.181 176.870 -0.031 0.000 1.086 499 L CA 1.077 55.895 54.840 -0.037 0.000 0.778 499 L CB -0.617 41.415 42.059 -0.045 0.000 0.928 499 L HN 0.308 nan 8.230 nan 0.000 0.446 500 D N 0.358 120.751 120.400 -0.012 0.000 2.123 500 D HA -0.229 4.413 4.640 0.003 0.000 0.196 500 D C 2.018 178.317 176.300 -0.000 0.000 0.992 500 D CA 1.229 55.225 54.000 -0.007 0.000 0.833 500 D CB -0.020 40.779 40.800 -0.002 0.000 0.954 500 D HN 0.091 nan 8.370 nan 0.000 0.455 501 K N 1.315 121.719 120.400 0.006 0.000 2.026 501 K HA -0.056 4.266 4.320 0.003 0.000 0.208 501 K C 1.901 178.520 176.600 0.032 0.000 1.048 501 K CA 1.542 57.839 56.287 0.016 0.000 0.929 501 K CB -0.477 32.034 32.500 0.018 0.000 0.713 501 K HN 0.027 nan 8.250 nan 0.000 0.439 502 A N -0.039 122.803 122.820 0.036 0.000 1.930 502 A HA -0.056 4.266 4.320 0.003 0.000 0.217 502 A C 2.258 179.861 177.584 0.032 0.000 1.175 502 A CA 1.620 53.698 52.037 0.069 0.000 0.627 502 A CB -0.612 18.371 19.000 -0.027 0.000 0.815 502 A HN 0.128 nan 8.150 nan 0.000 0.443 503 V N 0.091 119.996 119.914 -0.015 0.000 2.244 503 V HA -0.308 3.814 4.120 0.003 0.000 0.244 503 V C 2.708 178.813 176.094 0.018 0.000 1.042 503 V CA 2.170 64.463 62.300 -0.011 0.000 1.006 503 V CB -0.931 30.880 31.823 -0.021 0.000 0.641 503 V HN 0.757 nan 8.190 nan 0.000 0.446 504 Q N 0.097 119.907 119.800 0.016 0.000 2.197 504 Q HA -0.254 4.088 4.340 0.003 0.000 0.207 504 Q C 2.164 178.181 176.000 0.029 0.000 0.984 504 Q CA 2.012 57.827 55.803 0.019 0.000 0.869 504 Q CB -0.249 28.497 28.738 0.014 0.000 0.906 504 Q HN 0.646 nan 8.270 nan 0.000 0.426 505 A N 0.915 123.759 122.820 0.040 0.000 1.972 505 A HA -0.186 4.136 4.320 0.003 0.000 0.219 505 A C 1.443 179.058 177.584 0.051 0.000 1.169 505 A CA 1.729 53.794 52.037 0.047 0.000 0.635 505 A CB -0.276 18.765 19.000 0.069 0.000 0.810 505 A HN 0.466 nan 8.150 nan 0.000 0.446 506 D N -0.555 119.884 120.400 0.065 0.000 2.249 506 D HA 0.024 4.666 4.640 0.003 0.000 0.205 506 D C 1.995 178.324 176.300 0.048 0.000 0.962 506 D CA 1.106 55.143 54.000 0.062 0.000 0.860 506 D CB -0.740 40.109 40.800 0.081 0.000 0.955 506 D HN 0.407 nan 8.370 nan 0.000 0.505 507 G N 1.023 109.849 108.800 0.043 0.000 2.448 507 G HA2 -0.249 3.713 3.960 0.003 0.000 0.219 507 G HA3 -0.249 3.713 3.960 0.003 0.000 0.219 507 G C 1.495 176.421 174.900 0.043 0.000 1.127 507 G CA 0.438 45.563 45.100 0.042 0.000 0.766 507 G HN 0.159 nan 8.290 nan 0.000 0.552 508 Q N 0.289 120.111 119.800 0.038 0.000 2.124 508 Q HA -0.050 4.292 4.340 0.003 0.000 0.202 508 Q C 2.850 178.880 176.000 0.051 0.000 0.977 508 Q CA 1.166 56.991 55.803 0.037 0.000 0.850 508 Q CB -0.605 28.149 28.738 0.026 0.000 0.901 508 Q HN 0.483 nan 8.270 nan 0.000 0.429 509 V N 0.944 120.889 119.914 0.052 0.000 2.346 509 V HA -0.165 3.957 4.120 0.003 0.000 0.244 509 V C 2.393 178.556 176.094 0.116 0.000 1.037 509 V CA 1.610 63.948 62.300 0.063 0.000 1.029 509 V CB -0.558 31.279 31.823 0.023 0.000 0.663 509 V HN 0.224 nan 8.190 nan 0.000 0.454 510 K N 0.289 120.755 120.400 0.109 0.000 2.113 510 K HA -0.280 4.042 4.320 0.003 0.000 0.208 510 K C 2.130 178.836 176.600 0.176 0.000 1.047 510 K CA 2.018 58.412 56.287 0.179 0.000 0.928 510 K CB -0.109 32.465 32.500 0.124 0.000 0.716 510 K HN 0.423 nan 8.250 nan 0.000 0.446 511 E N -0.005 120.256 120.200 0.101 0.000 2.047 511 E HA -0.179 4.173 4.350 0.003 0.000 0.191 511 E C 1.999 178.628 176.600 0.048 0.000 0.987 511 E CA 1.306 57.739 56.400 0.055 0.000 0.799 511 E CB -0.395 29.325 29.700 0.033 0.000 0.752 511 E HN 0.477 nan 8.360 nan 0.000 0.449 512 C N 0.089 119.447 119.300 0.097 0.000 2.413 512 C HA -0.191 4.271 4.460 0.003 0.000 0.276 512 C C 2.612 177.743 174.990 0.234 0.000 1.236 512 C CA 1.365 60.477 59.018 0.157 0.000 1.735 512 C CB -1.381 26.489 27.740 0.216 0.000 2.031 512 C HN 0.656 nan 8.230 nan 0.000 0.474 513 Y N 2.698 123.060 120.300 0.104 0.000 2.165 513 Y HA -0.218 4.334 4.550 0.003 0.000 0.286 513 Y C 2.629 178.575 175.900 0.076 0.000 1.155 513 Y CA 2.529 60.690 58.100 0.101 0.000 1.164 513 Y CB -0.934 37.558 38.460 0.053 0.000 0.978 513 Y HN 0.671 nan 8.280 nan 0.000 0.513 514 Q N -0.401 119.254 119.800 -0.242 0.000 2.230 514 Q HA -0.067 4.275 4.340 0.003 0.000 0.202 514 Q C 1.652 177.519 176.000 -0.221 0.000 0.963 514 Q CA 1.380 56.974 55.803 -0.349 0.000 0.866 514 Q CB -0.609 28.013 28.738 -0.194 0.000 0.931 514 Q HN 0.485 nan 8.270 nan 0.000 0.452 515 S N -1.261 114.319 115.700 -0.200 0.000 2.679 515 S HA 0.138 4.610 4.470 0.003 0.000 0.233 515 S C 0.229 174.591 174.600 -0.396 0.000 0.951 515 S CA -0.217 57.819 58.200 -0.275 0.000 0.973 515 S CB -0.085 62.932 63.200 -0.304 0.000 0.778 515 S HN 0.559 nan 8.310 nan 0.000 0.477 516 H N -0.057 118.981 119.070 -0.052 0.000 3.678 516 H HA 0.216 4.774 4.556 0.003 0.000 0.246 516 H C 1.785 177.109 175.328 -0.006 0.000 1.016 516 H CA 0.091 56.136 56.048 -0.005 0.000 1.104 516 H CB 0.317 30.105 29.762 0.042 0.000 1.449 516 H HN 0.444 nan 8.280 nan 0.000 0.606 517 R N 1.332 121.849 120.500 0.027 0.000 2.235 517 R HA -0.025 4.317 4.340 0.003 0.000 0.213 517 R C 0.357 176.663 176.300 0.009 0.000 1.059 517 R CA 1.893 57.999 56.100 0.010 0.000 0.997 517 R CB -0.351 29.844 30.300 -0.174 0.000 0.884 517 R HN 0.231 nan 8.270 nan 0.000 0.462 518 D N 0.362 120.753 120.400 -0.016 0.000 2.117 518 D HA -0.131 4.511 4.640 0.003 0.000 0.197 518 D C 1.265 177.577 176.300 0.021 0.000 0.987 518 D CA 2.030 56.025 54.000 -0.007 0.000 0.829 518 D CB -0.311 40.478 40.800 -0.019 0.000 0.961 518 D HN 0.359 nan 8.370 nan 0.000 0.460 519 T N 0.007 114.588 114.554 0.045 0.000 2.985 519 T HA 0.069 4.421 4.350 0.003 0.000 0.266 519 T C 2.108 176.841 174.700 0.054 0.000 1.076 519 T CA 0.258 62.390 62.100 0.053 0.000 1.135 519 T CB -0.156 68.758 68.868 0.077 0.000 0.890 519 T HN 0.149 nan 8.240 nan 0.000 0.480 520 I N 1.140 121.752 120.570 0.071 0.000 2.179 520 I HA -0.158 4.014 4.170 0.003 0.000 0.242 520 I C 2.514 178.649 176.117 0.029 0.000 1.088 520 I CA 0.758 62.094 61.300 0.059 0.000 1.357 520 I CB -0.702 37.374 38.000 0.128 0.000 1.051 520 I HN 0.037 nan 8.210 nan 0.000 0.409 521 V N 1.241 121.177 119.914 0.037 0.000 2.311 521 V HA -0.358 3.764 4.120 0.003 0.000 0.259 521 V C 2.438 178.538 176.094 0.011 0.000 1.086 521 V CA 2.093 64.407 62.300 0.024 0.000 1.078 521 V CB -0.558 31.276 31.823 0.019 0.000 0.668 521 V HN 0.384 nan 8.190 nan 0.000 0.452 522 L N -1.480 119.750 121.223 0.012 0.000 2.005 522 L HA -0.179 4.163 4.340 0.003 0.000 0.207 522 L C 2.376 179.244 176.870 -0.004 0.000 1.072 522 L CA 1.560 56.404 54.840 0.006 0.000 0.744 522 L CB -0.387 41.679 42.059 0.012 0.000 0.895 522 L HN 0.299 nan 8.230 nan 0.000 0.433 523 L N -1.012 120.205 121.223 -0.010 0.000 2.079 523 L HA -0.306 4.036 4.340 0.003 0.000 0.210 523 L C 2.428 179.269 176.870 -0.050 0.000 1.081 523 L CA 1.176 55.998 54.840 -0.030 0.000 0.752 523 L CB -0.473 41.559 42.059 -0.045 0.000 0.896 523 L HN 0.465 nan 8.230 nan 0.000 0.433 524 C N -0.662 118.608 119.300 -0.050 0.000 2.522 524 C HA 0.004 4.466 4.460 0.003 0.000 0.271 524 C C 1.361 176.337 174.990 -0.023 0.000 1.425 524 C CA -0.432 58.558 59.018 -0.047 0.000 1.751 524 C CB -1.110 26.609 27.740 -0.035 0.000 1.775 524 C HN 0.248 nan 8.230 nan 0.000 0.557 525 K N 2.293 122.684 120.400 -0.015 0.000 2.295 525 K HA 0.215 4.537 4.320 0.003 0.000 0.270 525 K C -2.267 174.326 176.600 -0.011 0.000 1.011 525 K CA -0.838 55.444 56.287 -0.008 0.000 0.953 525 K CB 0.137 32.635 32.500 -0.004 0.000 0.956 525 K HN 0.134 nan 8.250 nan 0.000 0.477 526 P HA -0.015 nan 4.420 nan 0.000 0.274 526 P C 0.327 177.622 177.300 -0.008 0.000 1.237 526 P CA -0.063 63.032 63.100 -0.008 0.000 0.793 526 P CB 0.780 32.477 31.700 -0.005 0.000 0.977 527 E N 1.772 121.967 120.200 -0.009 0.000 2.108 527 E HA -0.225 4.127 4.350 0.003 0.000 0.203 527 E C -0.879 175.718 176.600 -0.005 0.000 1.022 527 E CA 2.137 58.532 56.400 -0.008 0.000 0.823 527 E CB -1.490 28.205 29.700 -0.009 0.000 0.744 527 E HN 0.345 nan 8.360 nan 0.000 0.456 528 P HA -0.231 nan 4.420 nan 0.000 0.214 528 P C 0.759 178.058 177.300 -0.002 0.000 1.164 528 P CA 2.265 65.364 63.100 -0.002 0.000 0.942 528 P CB -0.108 31.591 31.700 -0.001 0.000 0.791 529 E N -1.208 118.992 120.200 -0.001 0.000 2.072 529 E HA -0.131 4.221 4.350 0.003 0.000 0.191 529 E C 2.015 178.614 176.600 -0.000 0.000 0.985 529 E CA 0.550 56.950 56.400 -0.000 0.000 0.801 529 E CB -0.841 28.859 29.700 0.000 0.000 0.750 529 E HN 0.070 nan 8.360 nan 0.000 0.452 530 L N 1.637 122.858 121.223 -0.002 0.000 2.043 530 L HA -0.261 4.081 4.340 0.003 0.000 0.212 530 L C 1.869 178.738 176.870 -0.002 0.000 1.075 530 L CA 1.911 56.749 54.840 -0.003 0.000 0.752 530 L CB -0.446 41.609 42.059 -0.007 0.000 0.891 530 L HN 0.144 nan 8.230 nan 0.000 0.432 531 N N -1.182 117.516 118.700 -0.003 0.000 2.188 531 N HA -0.155 4.587 4.740 0.003 0.000 0.184 531 N C 1.776 177.287 175.510 0.001 0.000 1.018 531 N CA 0.850 53.900 53.050 -0.001 0.000 0.858 531 N CB -0.043 38.443 38.487 -0.002 0.000 0.989 531 N HN 0.517 nan 8.380 nan 0.000 0.426 532 A N 0.574 123.394 122.820 0.001 0.000 1.968 532 A HA 0.108 4.430 4.320 0.003 0.000 0.217 532 A C 2.123 179.709 177.584 0.003 0.000 1.169 532 A CA 1.342 53.380 52.037 0.002 0.000 0.638 532 A CB -0.451 18.550 19.000 0.001 0.000 0.812 532 A HN 0.428 nan 8.150 nan 0.000 0.446 533 A N -0.688 122.134 122.820 0.003 0.000 2.123 533 A HA 0.328 4.650 4.320 0.003 0.000 0.214 533 A C 0.829 178.416 177.584 0.006 0.000 1.152 533 A CA 0.131 52.170 52.037 0.004 0.000 0.728 533 A CB -0.294 18.709 19.000 0.004 0.000 0.814 533 A HN 0.423 nan 8.150 nan 0.000 0.464 534 I N 1.614 122.187 120.570 0.006 0.000 2.312 534 I HA 0.206 4.378 4.170 0.003 0.000 0.291 534 I C -2.393 173.728 176.117 0.007 0.000 1.031 534 I CA -2.143 59.162 61.300 0.008 0.000 1.293 534 I CB 1.274 39.279 38.000 0.007 0.000 1.403 534 I HN -0.006 nan 8.210 nan 0.000 0.484 535 P HA 0.015 nan 4.420 nan 0.000 0.262 535 P C -0.546 176.759 177.300 0.009 0.000 1.199 535 P CA -0.051 63.054 63.100 0.008 0.000 0.763 535 P CB 0.261 31.966 31.700 0.009 0.000 0.790 536 S N 2.196 117.900 115.700 0.007 0.000 2.580 536 S HA 0.712 5.184 4.470 0.003 0.000 0.274 536 S C -0.001 174.603 174.600 0.007 0.000 1.329 536 S CA -0.685 57.519 58.200 0.008 0.000 1.036 536 S CB 1.212 64.416 63.200 0.006 0.000 0.919 536 S HN 0.558 nan 8.310 nan 0.000 0.515 537 A N 1.919 124.744 122.820 0.009 0.000 2.515 537 A HA 0.671 4.993 4.320 0.003 0.000 0.296 537 A C -0.771 176.817 177.584 0.007 0.000 1.094 537 A CA -1.121 50.921 52.037 0.007 0.000 0.718 537 A CB 0.862 19.867 19.000 0.009 0.000 1.307 537 A HN 0.750 nan 8.150 nan 0.000 0.408 538 N N 2.295 120.997 118.700 0.003 0.000 2.405 538 N HA 0.374 5.116 4.740 0.003 0.000 0.260 538 N C -2.562 172.949 175.510 0.002 0.000 1.152 538 N CA -0.541 52.510 53.050 0.002 0.000 0.948 538 N CB 0.368 38.854 38.487 -0.002 0.000 1.111 538 N HN 0.350 nan 8.380 nan 0.000 0.485 539 P HA 0.192 nan 4.420 nan 0.000 0.276 539 P C -0.643 176.661 177.300 0.007 0.000 1.230 539 P CA -0.537 62.571 63.100 0.014 0.000 0.776 539 P CB 0.657 32.370 31.700 0.022 0.000 0.888 540 A N 3.144 125.965 122.820 0.001 0.000 2.450 540 A HA 0.180 4.502 4.320 0.003 0.000 0.255 540 A C 0.486 178.076 177.584 0.010 0.000 1.096 540 A CA -0.132 51.896 52.037 -0.016 0.000 0.778 540 A CB -0.115 18.847 19.000 -0.063 0.000 1.031 540 A HN 0.486 nan 8.150 nan 0.000 0.494 541 K N 1.390 121.792 120.400 0.004 0.000 2.681 541 K HA 0.157 4.479 4.320 0.003 0.000 0.211 541 K C 0.029 176.642 176.600 0.021 0.000 1.075 541 K CA 0.126 56.423 56.287 0.017 0.000 1.141 541 K CB 0.472 32.978 32.500 0.010 0.000 0.896 541 K HN 0.680 nan 8.250 nan 0.000 0.470 542 T N 0.198 114.767 114.554 0.026 0.000 3.264 542 T HA 0.151 4.503 4.350 0.003 0.000 0.257 542 T C 0.800 175.559 174.700 0.099 0.000 0.976 542 T CA -0.137 61.988 62.100 0.041 0.000 0.908 542 T CB 0.029 68.906 68.868 0.015 0.000 1.082 542 T HN 0.208 nan 8.240 nan 0.000 0.567 543 M N 0.372 120.031 119.600 0.098 0.000 2.313 543 M HA 0.229 4.711 4.480 0.003 0.000 0.273 543 M C 1.757 178.097 176.300 0.066 0.000 1.049 543 M CA 0.181 55.555 55.300 0.123 0.000 1.004 543 M CB 0.286 32.970 32.600 0.139 0.000 1.461 543 M HN 0.082 nan 8.290 nan 0.000 0.514 544 Q N 1.142 120.971 119.800 0.047 0.000 2.234 544 Q HA -0.036 4.306 4.340 0.003 0.000 0.206 544 Q C 0.833 176.847 176.000 0.023 0.000 0.980 544 Q CA 1.907 57.728 55.803 0.029 0.000 0.869 544 Q CB 0.058 28.809 28.738 0.023 0.000 0.912 544 Q HN 0.655 nan 8.270 nan 0.000 0.436 545 G N -0.619 108.197 108.800 0.027 0.000 3.198 545 G HA2 -0.020 3.942 3.960 0.003 0.000 0.228 545 G HA3 -0.020 3.942 3.960 0.003 0.000 0.228 545 G C -0.479 174.433 174.900 0.020 0.000 1.499 545 G CA -0.082 45.028 45.100 0.017 0.000 1.104 545 G HN 0.342 nan 8.290 nan 0.000 0.563 546 S N -0.759 114.961 115.700 0.033 0.000 2.593 546 S HA 0.411 4.883 4.470 0.003 0.000 0.269 546 S C 0.995 175.611 174.600 0.027 0.000 1.334 546 S CA 0.083 58.304 58.200 0.035 0.000 1.015 546 S CB 2.131 65.363 63.200 0.053 0.000 0.912 546 S HN 0.261 nan 8.310 nan 0.000 0.541 547 E N 0.448 120.661 120.200 0.022 0.000 2.333 547 E HA -0.079 4.273 4.350 0.003 0.000 0.198 547 E C 1.612 178.224 176.600 0.019 0.000 1.007 547 E CA 0.576 56.985 56.400 0.015 0.000 0.845 547 E CB -0.242 29.466 29.700 0.013 0.000 0.766 547 E HN 0.566 nan 8.360 nan 0.000 0.507 548 V N 0.185 120.123 119.914 0.040 0.000 2.427 548 V HA -0.208 3.914 4.120 0.003 0.000 0.248 548 V C 2.005 178.114 176.094 0.025 0.000 1.051 548 V CA 1.249 63.587 62.300 0.063 0.000 1.048 548 V CB -0.056 31.841 31.823 0.122 0.000 0.666 548 V HN 0.152 nan 8.190 nan 0.000 0.456 549 V N -0.777 119.137 119.914 -0.001 0.000 2.521 549 V HA -0.043 4.079 4.120 0.003 0.000 0.239 549 V C 2.088 178.121 176.094 -0.102 0.000 1.053 549 V CA 1.252 63.481 62.300 -0.118 0.000 1.073 549 V CB -0.787 30.985 31.823 -0.085 0.000 0.746 549 V HN 0.449 nan 8.190 nan 0.000 0.476 550 N N 0.610 119.280 118.700 -0.049 0.000 2.272 550 N HA -0.153 4.589 4.740 0.003 0.000 0.185 550 N C 1.807 177.293 175.510 -0.039 0.000 1.014 550 N CA 1.404 54.430 53.050 -0.041 0.000 0.870 550 N CB -0.013 38.462 38.487 -0.020 0.000 0.975 550 N HN 0.293 nan 8.380 nan 0.000 0.433 551 V N 1.270 121.164 119.914 -0.033 0.000 2.343 551 V HA -0.201 3.921 4.120 0.003 0.000 0.247 551 V C 2.216 178.288 176.094 -0.037 0.000 1.051 551 V CA 1.167 63.451 62.300 -0.026 0.000 1.036 551 V CB -0.246 31.569 31.823 -0.012 0.000 0.654 551 V HN 0.174 nan 8.190 nan 0.000 0.451 552 L N -0.170 121.017 121.223 -0.060 0.000 2.046 552 L HA -0.167 4.175 4.340 0.003 0.000 0.208 552 L C 2.352 179.181 176.870 -0.069 0.000 1.077 552 L CA 1.881 56.678 54.840 -0.072 0.000 0.747 552 L CB -0.877 41.108 42.059 -0.125 0.000 0.896 552 L HN 0.261 nan 8.230 nan 0.000 0.432 553 K N -1.225 119.131 120.400 -0.075 0.000 2.152 553 K HA -0.179 4.143 4.320 0.003 0.000 0.206 553 K C 2.350 178.925 176.600 -0.041 0.000 1.048 553 K CA 1.474 57.725 56.287 -0.060 0.000 0.933 553 K CB -0.107 32.359 32.500 -0.058 0.000 0.721 553 K HN 0.202 nan 8.250 nan 0.000 0.447 554 S N -0.059 115.620 115.700 -0.034 0.000 2.496 554 S HA 0.073 4.545 4.470 0.003 0.000 0.224 554 S C 1.652 176.239 174.600 -0.022 0.000 0.996 554 S CA 0.252 58.438 58.200 -0.024 0.000 0.927 554 S CB 0.020 63.209 63.200 -0.019 0.000 0.774 554 S HN 0.251 nan 8.310 nan 0.000 0.524 555 L N 0.448 121.656 121.223 -0.025 0.000 2.095 555 L HA 0.176 4.518 4.340 0.003 0.000 0.204 555 L C 1.522 178.378 176.870 -0.023 0.000 1.080 555 L CA 0.860 55.688 54.840 -0.021 0.000 0.759 555 L CB -0.221 41.827 42.059 -0.020 0.000 0.914 555 L HN 0.239 nan 8.230 nan 0.000 0.439 556 L N -0.985 120.219 121.223 -0.032 0.000 2.715 556 L HA 0.057 4.399 4.340 0.003 0.000 0.238 556 L C 1.527 178.379 176.870 -0.030 0.000 1.212 556 L CA 0.075 54.896 54.840 -0.033 0.000 1.017 556 L CB 0.126 42.158 42.059 -0.044 0.000 1.269 556 L HN 0.092 nan 8.230 nan 0.000 0.452 557 S N -1.503 114.182 115.700 -0.024 0.000 2.631 557 S HA 0.134 4.606 4.470 0.003 0.000 0.246 557 S C 1.474 176.065 174.600 -0.015 0.000 1.068 557 S CA -0.201 57.987 58.200 -0.020 0.000 0.995 557 S CB 0.232 63.420 63.200 -0.021 0.000 0.944 557 S HN 0.413 nan 8.310 nan 0.000 0.529 558 N N 1.504 120.195 118.700 -0.014 0.000 2.368 558 N HA 0.093 4.835 4.740 0.003 0.000 0.178 558 N C 1.494 176.999 175.510 -0.009 0.000 1.021 558 N CA 0.727 53.772 53.050 -0.010 0.000 0.875 558 N CB -0.301 38.181 38.487 -0.009 0.000 1.020 558 N HN 0.320 nan 8.380 nan 0.000 0.433 559 L N 1.866 123.082 121.223 -0.010 0.000 2.275 559 L HA -0.051 4.291 4.340 0.003 0.000 0.215 559 L C 1.630 178.495 176.870 -0.008 0.000 1.119 559 L CA 1.601 56.436 54.840 -0.009 0.000 0.790 559 L CB -0.665 41.388 42.059 -0.011 0.000 0.919 559 L HN -0.014 nan 8.230 nan 0.000 0.443 560 D N -0.652 119.741 120.400 -0.011 0.000 2.117 560 D HA -0.188 4.454 4.640 0.003 0.000 0.197 560 D C 1.896 178.193 176.300 -0.005 0.000 0.987 560 D CA 1.315 55.308 54.000 -0.011 0.000 0.829 560 D CB 0.195 40.985 40.800 -0.017 0.000 0.961 560 D HN 0.427 nan 8.370 nan 0.000 0.460 561 E N -0.250 119.947 120.200 -0.005 0.000 2.122 561 E HA -0.025 4.327 4.350 0.003 0.000 0.190 561 E C 2.444 179.045 176.600 0.001 0.000 0.977 561 E CA 0.149 56.548 56.400 -0.002 0.000 0.820 561 E CB -0.108 29.590 29.700 -0.003 0.000 0.770 561 E HN 0.193 nan 8.360 nan 0.000 0.462 562 V N 2.974 122.887 119.914 -0.001 0.000 2.324 562 V HA -0.297 3.825 4.120 0.003 0.000 0.250 562 V C 2.509 178.604 176.094 0.003 0.000 1.060 562 V CA 2.473 64.773 62.300 0.001 0.000 1.042 562 V CB -0.552 31.271 31.823 -0.001 0.000 0.650 562 V HN 0.361 nan 8.190 nan 0.000 0.450 563 K N 0.812 121.214 120.400 0.003 0.000 2.296 563 K HA -0.123 4.199 4.320 0.003 0.000 0.200 563 K C 2.089 178.695 176.600 0.010 0.000 1.048 563 K CA 1.081 57.372 56.287 0.007 0.000 0.966 563 K CB -0.243 32.262 32.500 0.009 0.000 0.754 563 K HN 0.367 nan 8.250 nan 0.000 0.466 564 K N 2.710 123.116 120.400 0.009 0.000 2.288 564 K HA -0.179 4.143 4.320 0.003 0.000 0.201 564 K C 1.722 178.329 176.600 0.010 0.000 1.048 564 K CA 1.721 58.014 56.287 0.011 0.000 0.956 564 K CB 0.075 32.580 32.500 0.009 0.000 0.746 564 K HN 0.590 nan 8.250 nan 0.000 0.461 565 E N 0.681 120.886 120.200 0.008 0.000 2.216 565 E HA -0.124 4.228 4.350 0.003 0.000 0.192 565 E C 1.703 178.308 176.600 0.009 0.000 0.988 565 E CA 0.219 56.624 56.400 0.008 0.000 0.834 565 E CB -0.126 29.578 29.700 0.007 0.000 0.772 565 E HN 0.249 nan 8.360 nan 0.000 0.479 566 R N 0.803 121.307 120.500 0.007 0.000 2.200 566 R HA -0.092 4.250 4.340 0.003 0.000 0.234 566 R C 2.151 178.455 176.300 0.007 0.000 1.127 566 R CA 1.537 57.640 56.100 0.006 0.000 0.989 566 R CB -0.088 30.214 30.300 0.003 0.000 0.869 566 R HN 0.376 nan 8.270 nan 0.000 0.459 567 E N -0.279 119.926 120.200 0.009 0.000 2.031 567 E HA -0.140 4.212 4.350 0.003 0.000 0.193 567 E C 2.193 178.800 176.600 0.012 0.000 0.994 567 E CA 1.284 57.690 56.400 0.010 0.000 0.800 567 E CB -0.258 29.450 29.700 0.013 0.000 0.752 567 E HN 0.488 nan 8.360 nan 0.000 0.447 568 G N 1.635 110.443 108.800 0.014 0.000 2.469 568 G HA2 -0.248 3.714 3.960 0.003 0.000 0.220 568 G HA3 -0.248 3.714 3.960 0.003 0.000 0.220 568 G C 1.619 176.531 174.900 0.020 0.000 1.136 568 G CA 0.585 45.695 45.100 0.017 0.000 0.759 568 G HN 0.065 nan 8.290 nan 0.000 0.562 569 L N -0.227 121.007 121.223 0.018 0.000 2.023 569 L HA -0.010 4.332 4.340 0.003 0.000 0.205 569 L C 2.726 179.609 176.870 0.021 0.000 1.073 569 L CA 1.486 56.340 54.840 0.022 0.000 0.745 569 L CB -0.656 41.413 42.059 0.016 0.000 0.900 569 L HN 0.322 nan 8.230 nan 0.000 0.435 570 E N 0.621 120.828 120.200 0.011 0.000 2.219 570 E HA -0.259 4.093 4.350 0.003 0.000 0.198 570 E C 1.745 178.353 176.600 0.013 0.000 0.998 570 E CA 1.634 58.036 56.400 0.004 0.000 0.818 570 E CB 0.057 29.755 29.700 -0.003 0.000 0.741 570 E HN 0.507 nan 8.360 nan 0.000 0.477 571 N N -0.114 118.598 118.700 0.019 0.000 2.173 571 N HA -0.109 4.633 4.740 0.003 0.000 0.184 571 N C 1.241 176.776 175.510 0.041 0.000 1.025 571 N CA 1.265 54.330 53.050 0.026 0.000 0.852 571 N CB 0.137 38.638 38.487 0.023 0.000 0.998 571 N HN 0.094 nan 8.380 nan 0.000 0.427 572 D N 0.273 120.701 120.400 0.047 0.000 2.224 572 D HA -0.063 4.579 4.640 0.003 0.000 0.205 572 D C 1.685 178.050 176.300 0.108 0.000 0.965 572 D CA 0.343 54.383 54.000 0.067 0.000 0.852 572 D CB -0.116 40.720 40.800 0.059 0.000 0.947 572 D HN 0.107 nan 8.370 nan 0.000 0.494 573 L N 0.955 122.235 121.223 0.094 0.000 2.056 573 L HA -0.063 4.279 4.340 0.003 0.000 0.207 573 L C 1.993 178.921 176.870 0.097 0.000 1.078 573 L CA 1.610 56.513 54.840 0.105 0.000 0.749 573 L CB -0.283 41.785 42.059 0.016 0.000 0.901 573 L HN -0.121 nan 8.230 nan 0.000 0.433 574 K N -1.417 119.018 120.400 0.059 0.000 2.057 574 K HA -0.056 4.266 4.320 0.003 0.000 0.206 574 K C 2.073 178.721 176.600 0.081 0.000 1.050 574 K CA 1.439 57.757 56.287 0.052 0.000 0.935 574 K CB -0.070 32.447 32.500 0.029 0.000 0.715 574 K HN 0.232 nan 8.250 nan 0.000 0.439 575 S N 0.758 116.508 115.700 0.084 0.000 2.406 575 S HA -0.026 4.446 4.470 0.003 0.000 0.228 575 S C 0.835 175.494 174.600 0.099 0.000 1.020 575 S CA 0.281 58.527 58.200 0.077 0.000 0.965 575 S CB 0.139 63.374 63.200 0.059 0.000 0.798 575 S HN -0.025 nan 8.310 nan 0.000 0.488 576 V N 4.069 124.067 119.914 0.140 0.000 2.521 576 V HA 0.182 4.304 4.120 0.003 0.000 0.286 576 V C -0.202 176.004 176.094 0.185 0.000 1.034 576 V CA -0.054 62.329 62.300 0.138 0.000 1.045 576 V CB 0.326 32.214 31.823 0.108 0.000 0.974 576 V HN 0.382 nan 8.190 nan 0.000 0.480 577 N N 4.374 123.166 118.700 0.153 0.000 2.371 577 N HA 0.428 5.170 4.740 0.003 0.000 0.291 577 N C -1.247 174.390 175.510 0.212 0.000 1.053 577 N CA -0.380 52.785 53.050 0.192 0.000 0.870 577 N CB 2.366 40.933 38.487 0.134 0.000 1.503 577 N HN 0.570 nan 8.380 nan 0.000 0.485 578 F N 1.378 121.399 119.950 0.118 0.000 2.449 578 F HA 0.225 4.754 4.527 0.003 0.000 0.342 578 F C 0.151 176.002 175.800 0.086 0.000 1.127 578 F CA -0.862 57.179 58.000 0.067 0.000 0.975 578 F CB 1.025 40.037 39.000 0.020 0.000 1.146 578 F HN 0.278 nan 8.300 nan 0.000 0.444 579 D N 6.273 126.347 120.400 -0.543 0.000 2.383 579 D HA 0.001 4.643 4.640 0.003 0.000 0.245 579 D C 0.887 176.944 176.300 -0.406 0.000 1.263 579 D CA 0.089 53.880 54.000 -0.349 0.000 0.936 579 D CB 0.893 41.510 40.800 -0.305 0.000 1.053 579 D HN 0.683 nan 8.370 nan 0.000 0.507 580 M N 2.459 121.977 119.600 -0.137 0.000 2.492 580 M HA -0.085 4.397 4.480 0.003 0.000 0.262 580 M C 1.777 178.087 176.300 0.017 0.000 1.090 580 M CA 0.912 56.146 55.300 -0.110 0.000 1.110 580 M CB -0.292 32.098 32.600 -0.350 0.000 1.407 580 M HN 0.231 nan 8.290 nan 0.000 0.470 581 T N -0.737 113.850 114.554 0.056 0.000 2.565 581 T HA -0.208 4.144 4.350 0.003 0.000 0.265 581 T C 1.902 176.653 174.700 0.084 0.000 1.082 581 T CA 2.202 64.366 62.100 0.107 0.000 1.173 581 T CB -0.795 68.099 68.868 0.044 0.000 0.864 581 T HN 0.383 nan 8.240 nan 0.000 0.425 582 S N 0.257 115.957 115.700 -0.000 0.000 2.469 582 S HA -0.014 4.458 4.470 0.003 0.000 0.238 582 S C 1.957 176.551 174.600 -0.010 0.000 0.998 582 S CA 0.886 59.082 58.200 -0.006 0.000 0.957 582 S CB -0.171 63.006 63.200 -0.038 0.000 0.764 582 S HN 0.441 nan 8.310 nan 0.000 0.514 583 K N -0.253 120.119 120.400 -0.047 0.000 2.186 583 K HA 0.125 4.447 4.320 0.003 0.000 0.202 583 K C 1.398 177.903 176.600 -0.159 0.000 1.052 583 K CA 0.764 56.981 56.287 -0.116 0.000 0.965 583 K CB -0.068 32.333 32.500 -0.166 0.000 0.746 583 K HN 0.306 nan 8.250 nan 0.000 0.457 584 F N 0.350 120.281 119.950 -0.031 0.000 2.128 584 F HA -0.137 4.392 4.527 0.003 0.000 0.295 584 F C 2.005 177.791 175.800 -0.024 0.000 1.100 584 F CA 0.441 58.423 58.000 -0.031 0.000 1.260 584 F CB -0.236 38.738 39.000 -0.043 0.000 1.009 584 F HN -0.016 nan 8.300 nan 0.000 0.476 585 L N 0.151 121.478 121.223 0.174 0.000 2.043 585 L HA -0.251 4.091 4.340 0.003 0.000 0.212 585 L C 2.292 179.197 176.870 0.058 0.000 1.075 585 L CA 2.049 56.942 54.840 0.089 0.000 0.752 585 L CB -1.002 41.093 42.059 0.060 0.000 0.891 585 L HN 0.117 nan 8.230 nan 0.000 0.432 586 T N -0.857 113.721 114.554 0.041 0.000 2.821 586 T HA -0.078 4.274 4.350 0.003 0.000 0.267 586 T C 1.718 176.434 174.700 0.027 0.000 1.046 586 T CA 1.103 63.217 62.100 0.023 0.000 1.139 586 T CB -0.402 68.469 68.868 0.005 0.000 0.871 586 T HN 0.474 nan 8.240 nan 0.000 0.454 587 A N 0.399 123.241 122.820 0.036 0.000 2.208 587 A HA 0.309 4.631 4.320 0.003 0.000 0.209 587 A C 2.022 179.644 177.584 0.064 0.000 1.161 587 A CA 0.366 52.428 52.037 0.042 0.000 0.782 587 A CB -0.335 18.684 19.000 0.030 0.000 0.816 587 A HN 0.389 nan 8.150 nan 0.000 0.477 588 L N -1.566 119.700 121.223 0.071 0.000 2.357 588 L HA 0.386 4.728 4.340 0.003 0.000 0.211 588 L C 2.289 179.185 176.870 0.043 0.000 1.075 588 L CA 1.642 56.517 54.840 0.060 0.000 0.830 588 L CB -0.395 41.696 42.059 0.053 0.000 0.996 588 L HN 0.204 nan 8.230 nan 0.000 0.467 589 A N -1.229 121.614 122.820 0.038 0.000 2.016 589 A HA -0.064 4.258 4.320 0.003 0.000 0.217 589 A C 2.169 179.771 177.584 0.029 0.000 1.162 589 A CA 0.949 53.005 52.037 0.031 0.000 0.662 589 A CB -0.321 18.697 19.000 0.029 0.000 0.812 589 A HN 0.486 nan 8.150 nan 0.000 0.450 590 Q N 0.200 120.017 119.800 0.029 0.000 2.089 590 Q HA 0.012 4.354 4.340 0.003 0.000 0.195 590 Q C -0.183 175.833 176.000 0.027 0.000 0.963 590 Q CA 0.934 56.751 55.803 0.024 0.000 0.834 590 Q CB 0.061 28.811 28.738 0.020 0.000 0.906 590 Q HN 0.548 nan 8.270 nan 0.000 0.452 591 D N -2.128 118.291 120.400 0.033 0.000 2.449 591 D HA 0.289 4.931 4.640 0.003 0.000 0.250 591 D C 0.686 177.012 176.300 0.043 0.000 1.050 591 D CA 0.091 54.113 54.000 0.036 0.000 1.024 591 D CB 1.210 42.032 40.800 0.038 0.000 1.218 591 D HN 0.131 nan 8.370 nan 0.000 0.566 592 G N -0.038 108.789 108.800 0.045 0.000 2.910 592 G HA2 -0.071 3.891 3.960 0.003 0.000 0.206 592 G HA3 -0.071 3.891 3.960 0.003 0.000 0.206 592 G C 0.776 175.715 174.900 0.065 0.000 1.406 592 G CA 1.193 46.324 45.100 0.051 0.000 0.816 592 G HN 0.331 nan 8.290 nan 0.000 0.669 593 V N 0.911 120.871 119.914 0.077 0.000 3.842 593 V HA 0.553 4.675 4.120 0.003 0.000 0.281 593 V C 0.301 176.447 176.094 0.087 0.000 1.228 593 V CA -0.537 61.820 62.300 0.095 0.000 0.897 593 V CB 1.285 33.191 31.823 0.138 0.000 1.257 593 V HN 0.603 nan 8.190 nan 0.000 0.451 594 I N 0.272 120.898 120.570 0.093 0.000 2.534 594 I HA 0.522 4.694 4.170 0.003 0.000 0.288 594 I C -1.173 175.016 176.117 0.121 0.000 1.077 594 I CA -0.632 60.739 61.300 0.119 0.000 1.051 594 I CB 1.307 39.416 38.000 0.181 0.000 1.234 594 I HN 0.614 nan 8.210 nan 0.000 0.425 595 N N 4.583 123.355 118.700 0.120 0.000 2.420 595 N HA 0.146 4.888 4.740 0.003 0.000 0.249 595 N C 0.828 176.432 175.510 0.157 0.000 1.033 595 N CA -0.149 52.970 53.050 0.115 0.000 0.944 595 N CB 1.252 39.790 38.487 0.084 0.000 1.113 595 N HN 0.727 nan 8.380 nan 0.000 0.502 596 E N 2.627 122.939 120.200 0.186 0.000 2.072 596 E HA -0.154 4.198 4.350 0.003 0.000 0.190 596 E C 1.238 177.958 176.600 0.200 0.000 0.982 596 E CA 1.088 57.661 56.400 0.288 0.000 0.803 596 E CB -0.268 29.598 29.700 0.276 0.000 0.755 596 E HN 0.739 nan 8.360 nan 0.000 0.453 597 E N 0.622 120.905 120.200 0.138 0.000 2.085 597 E HA -0.234 4.118 4.350 0.003 0.000 0.194 597 E C 2.045 178.694 176.600 0.082 0.000 0.994 597 E CA 1.241 57.705 56.400 0.106 0.000 0.801 597 E CB -0.258 29.489 29.700 0.079 0.000 0.743 597 E HN 0.411 nan 8.360 nan 0.000 0.453 598 A N 0.401 123.262 122.820 0.069 0.000 1.978 598 A HA -0.168 4.154 4.320 0.003 0.000 0.220 598 A C 1.989 179.589 177.584 0.026 0.000 1.170 598 A CA 1.106 53.169 52.037 0.043 0.000 0.636 598 A CB -0.266 18.758 19.000 0.039 0.000 0.810 598 A HN 0.307 nan 8.150 nan 0.000 0.448 599 L N -1.669 119.570 121.223 0.027 0.000 2.286 599 L HA 0.140 4.482 4.340 0.003 0.000 0.203 599 L C 2.613 179.459 176.870 -0.040 0.000 1.068 599 L CA 1.784 56.602 54.840 -0.037 0.000 0.811 599 L CB -0.392 41.607 42.059 -0.100 0.000 0.989 599 L HN 0.240 nan 8.230 nan 0.000 0.467 600 S N -1.040 114.684 115.700 0.039 0.000 2.355 600 S HA -0.147 4.325 4.470 0.003 0.000 0.222 600 S C 1.973 176.644 174.600 0.118 0.000 1.031 600 S CA 1.433 59.706 58.200 0.122 0.000 0.993 600 S CB -0.279 63.100 63.200 0.298 0.000 0.859 600 S HN 0.237 nan 8.310 nan 0.000 0.453 601 V N 2.108 122.079 119.914 0.094 0.000 2.282 601 V HA -0.224 3.898 4.120 0.003 0.000 0.249 601 V C 2.465 178.584 176.094 0.041 0.000 1.057 601 V CA 2.309 64.651 62.300 0.070 0.000 1.032 601 V CB -1.474 30.381 31.823 0.053 0.000 0.645 601 V HN 0.590 nan 8.190 nan 0.000 0.447 602 T N -1.177 113.386 114.554 0.014 0.000 3.023 602 T HA -0.119 4.233 4.350 0.003 0.000 0.266 602 T C 1.750 176.424 174.700 -0.044 0.000 1.093 602 T CA 1.205 63.297 62.100 -0.013 0.000 1.129 602 T CB -0.054 68.800 68.868 -0.022 0.000 0.899 602 T HN 0.489 nan 8.240 nan 0.000 0.491 603 E N 1.177 121.344 120.200 -0.055 0.000 2.076 603 E HA 0.083 4.435 4.350 0.003 0.000 0.190 603 E C 1.971 178.521 176.600 -0.083 0.000 0.979 603 E CA 0.579 56.904 56.400 -0.126 0.000 0.807 603 E CB -0.417 29.179 29.700 -0.174 0.000 0.761 603 E HN 0.405 nan 8.360 nan 0.000 0.454 604 L N 0.643 121.895 121.223 0.048 0.000 2.005 604 L HA -0.143 4.199 4.340 0.003 0.000 0.207 604 L C 1.454 178.392 176.870 0.112 0.000 1.072 604 L CA 1.285 56.216 54.840 0.153 0.000 0.744 604 L CB -0.369 41.819 42.059 0.215 0.000 0.895 604 L HN 0.109 nan 8.230 nan 0.000 0.433 605 D N -0.571 119.868 120.400 0.065 0.000 2.368 605 D HA -0.105 4.537 4.640 0.003 0.000 0.250 605 D C 1.828 178.129 176.300 0.002 0.000 1.142 605 D CA 0.443 54.469 54.000 0.043 0.000 0.925 605 D CB 0.112 40.929 40.800 0.029 0.000 0.896 605 D HN 0.328 nan 8.370 nan 0.000 0.525 606 R N -0.351 120.127 120.500 -0.037 0.000 2.215 606 R HA 0.020 4.362 4.340 0.003 0.000 0.190 606 R C 1.588 177.803 176.300 -0.141 0.000 0.968 606 R CA 0.271 56.318 56.100 -0.088 0.000 1.122 606 R CB -0.080 30.146 30.300 -0.122 0.000 1.151 606 R HN -0.068 nan 8.270 nan 0.000 0.582 607 V N 0.698 120.480 119.914 -0.220 0.000 2.323 607 V HA -0.150 3.972 4.120 0.003 0.000 0.244 607 V C 1.643 177.519 176.094 -0.364 0.000 1.041 607 V CA 1.675 63.746 62.300 -0.381 0.000 1.025 607 V CB -0.521 30.948 31.823 -0.590 0.000 0.656 607 V HN 0.314 nan 8.190 nan 0.000 0.451 608 Y N 0.328 120.611 120.300 -0.028 0.000 2.503 608 Y HA 0.273 4.825 4.550 0.003 0.000 0.277 608 Y C 2.498 178.389 175.900 -0.015 0.000 1.102 608 Y CA 0.445 58.538 58.100 -0.012 0.000 1.261 608 Y CB -0.679 37.777 38.460 -0.006 0.000 1.096 608 Y HN 0.248 nan 8.280 nan 0.000 0.546 609 G N 0.709 109.575 108.800 0.109 0.000 2.661 609 G HA2 -0.363 3.599 3.960 0.003 0.000 0.224 609 G HA3 -0.363 3.599 3.960 0.003 0.000 0.224 609 G C 1.910 176.835 174.900 0.042 0.000 1.114 609 G CA 1.317 46.452 45.100 0.058 0.000 0.751 609 G HN 0.522 nan 8.290 nan 0.000 0.609 610 G N -0.235 108.584 108.800 0.031 0.000 2.598 610 G HA2 0.143 4.105 3.960 0.003 0.000 0.215 610 G HA3 0.143 4.105 3.960 0.003 0.000 0.215 610 G C 1.589 176.509 174.900 0.034 0.000 1.131 610 G CA 0.604 45.717 45.100 0.022 0.000 0.785 610 G HN 0.476 nan 8.290 nan 0.000 0.539 611 L N 0.199 121.457 121.223 0.058 0.000 2.467 611 L HA 0.064 4.406 4.340 0.003 0.000 0.213 611 L C 3.187 180.081 176.870 0.041 0.000 1.053 611 L CA 1.107 55.981 54.840 0.057 0.000 0.847 611 L CB -0.622 41.490 42.059 0.090 0.000 1.075 611 L HN 0.267 nan 8.230 nan 0.000 0.479 612 T N -2.845 111.737 114.554 0.045 0.000 2.699 612 T HA -0.221 4.131 4.350 0.003 0.000 0.268 612 T C 1.760 176.468 174.700 0.014 0.000 1.036 612 T CA 2.142 64.255 62.100 0.022 0.000 1.147 612 T CB -0.905 67.977 68.868 0.024 0.000 0.862 612 T HN 0.205 nan 8.240 nan 0.000 0.446 613 T N 1.562 116.126 114.554 0.017 0.000 2.777 613 T HA 0.012 4.364 4.350 0.003 0.000 0.266 613 T C 1.974 176.680 174.700 0.010 0.000 1.040 613 T CA 1.171 63.277 62.100 0.011 0.000 1.141 613 T CB -0.250 68.624 68.868 0.010 0.000 0.868 613 T HN 0.449 nan 8.240 nan 0.000 0.444 614 K N 0.513 120.921 120.400 0.013 0.000 2.209 614 K HA -0.039 4.283 4.320 0.003 0.000 0.204 614 K C 2.228 178.832 176.600 0.008 0.000 1.048 614 K CA 0.766 57.060 56.287 0.011 0.000 0.940 614 K CB -0.266 32.244 32.500 0.016 0.000 0.729 614 K HN 0.179 nan 8.250 nan 0.000 0.451 615 V N 1.326 121.245 119.914 0.007 0.000 2.323 615 V HA -0.199 3.923 4.120 0.003 0.000 0.244 615 V C 2.208 178.301 176.094 -0.001 0.000 1.041 615 V CA 1.480 63.781 62.300 0.001 0.000 1.025 615 V CB -0.261 31.560 31.823 -0.003 0.000 0.656 615 V HN 0.320 nan 8.190 nan 0.000 0.451 616 Q N -0.177 119.623 119.800 -0.000 0.000 2.291 616 Q HA -0.216 4.126 4.340 0.003 0.000 0.205 616 Q C 2.096 178.096 176.000 -0.000 0.000 0.970 616 Q CA 1.273 57.075 55.803 -0.001 0.000 0.876 616 Q CB -0.241 28.497 28.738 -0.001 0.000 0.935 616 Q HN 0.771 nan 8.270 nan 0.000 0.455 617 E N 0.522 120.723 120.200 0.002 0.000 2.106 617 E HA -0.145 4.207 4.350 0.003 0.000 0.192 617 E C 2.032 178.632 176.600 0.001 0.000 0.984 617 E CA 1.103 57.504 56.400 0.002 0.000 0.806 617 E CB 0.155 29.857 29.700 0.003 0.000 0.750 617 E HN 0.182 nan 8.360 nan 0.000 0.458 618 S N -0.199 115.502 115.700 0.001 0.000 2.345 618 S HA -0.085 4.387 4.470 0.003 0.000 0.219 618 S C 1.990 176.589 174.600 -0.002 0.000 1.031 618 S CA 0.765 58.965 58.200 -0.000 0.000 0.984 618 S CB -0.201 62.999 63.200 -0.000 0.000 0.874 618 S HN 0.287 nan 8.310 nan 0.000 0.451 619 L N 1.233 122.454 121.223 -0.003 0.000 1.994 619 L HA -0.017 4.325 4.340 0.003 0.000 0.208 619 L C 2.751 179.619 176.870 -0.003 0.000 1.071 619 L CA 1.284 56.121 54.840 -0.004 0.000 0.745 619 L CB -0.349 41.707 42.059 -0.006 0.000 0.892 619 L HN 0.159 nan 8.230 nan 0.000 0.431 620 K N -0.039 120.360 120.400 -0.002 0.000 2.288 620 K HA -0.157 4.165 4.320 0.003 0.000 0.201 620 K C 2.051 178.651 176.600 -0.001 0.000 1.048 620 K CA 0.921 57.207 56.287 -0.001 0.000 0.956 620 K CB -0.042 32.458 32.500 -0.001 0.000 0.746 620 K HN 0.171 nan 8.250 nan 0.000 0.461 621 K N 1.348 121.748 120.400 -0.001 0.000 2.103 621 K HA -0.130 4.192 4.320 0.003 0.000 0.204 621 K C 2.130 178.729 176.600 -0.001 0.000 1.052 621 K CA 1.052 57.339 56.287 -0.001 0.000 0.945 621 K CB 0.104 32.604 32.500 -0.000 0.000 0.722 621 K HN 0.095 nan 8.250 nan 0.000 0.443 622 Q N 0.796 120.595 119.800 -0.002 0.000 2.020 622 Q HA -0.224 4.118 4.340 0.003 0.000 0.202 622 Q C 1.654 177.653 176.000 -0.002 0.000 0.982 622 Q CA 1.804 57.606 55.803 -0.002 0.000 0.838 622 Q CB -0.034 28.702 28.738 -0.003 0.000 0.899 622 Q HN 0.382 nan 8.270 nan 0.000 0.423 623 E N -0.469 119.730 120.200 -0.001 0.000 2.147 623 E HA -0.227 4.125 4.350 0.003 0.000 0.199 623 E C 1.808 178.409 176.600 0.001 0.000 1.005 623 E CA 1.021 57.421 56.400 0.000 0.000 0.810 623 E CB -0.277 29.423 29.700 0.000 0.000 0.736 623 E HN 0.611 nan 8.360 nan 0.000 0.460 624 G N 1.059 109.860 108.800 0.001 0.000 2.434 624 G HA2 -0.235 3.727 3.960 0.003 0.000 0.214 624 G HA3 -0.235 3.727 3.960 0.003 0.000 0.214 624 G C 1.546 176.447 174.900 0.002 0.000 1.202 624 G CA 0.404 45.506 45.100 0.002 0.000 0.788 624 G HN 0.113 nan 8.290 nan 0.000 0.539 625 L N 0.061 121.284 121.223 0.000 0.000 2.131 625 L HA 0.015 4.357 4.340 0.003 0.000 0.210 625 L C 2.839 179.708 176.870 -0.001 0.000 1.092 625 L CA 0.456 55.295 54.840 -0.001 0.000 0.759 625 L CB -0.186 41.870 42.059 -0.004 0.000 0.903 625 L HN 0.207 nan 8.230 nan 0.000 0.435 626 L N -0.870 120.353 121.223 -0.001 0.000 2.162 626 L HA -0.156 4.186 4.340 0.003 0.000 0.205 626 L C 2.545 179.418 176.870 0.005 0.000 1.086 626 L CA 0.923 55.762 54.840 -0.001 0.000 0.778 626 L CB -0.366 41.691 42.059 -0.003 0.000 0.928 626 L HN 0.187 nan 8.230 nan 0.000 0.446 627 K N 0.433 120.837 120.400 0.007 0.000 2.097 627 K HA -0.100 4.222 4.320 0.003 0.000 0.206 627 K C 1.203 177.813 176.600 0.017 0.000 1.049 627 K CA 0.999 57.294 56.287 0.012 0.000 0.933 627 K CB 0.126 32.632 32.500 0.010 0.000 0.717 627 K HN 0.252 nan 8.250 nan 0.000 0.442 628 N N 0.669 119.377 118.700 0.013 0.000 2.416 628 N HA 0.019 4.761 4.740 0.003 0.000 0.215 628 N C 0.631 176.151 175.510 0.018 0.000 1.208 628 N CA 0.638 53.697 53.050 0.015 0.000 0.834 628 N CB 0.397 38.889 38.487 0.009 0.000 1.072 628 N HN 0.320 nan 8.380 nan 0.000 0.472 629 I N -1.002 119.582 120.570 0.024 0.000 4.738 629 I HA -0.083 4.089 4.170 0.003 0.000 0.315 629 I C 2.095 178.248 176.117 0.061 0.000 1.214 629 I CA 0.053 61.372 61.300 0.031 0.000 1.337 629 I CB 0.374 38.378 38.000 0.006 0.000 1.433 629 I HN -0.013 nan 8.210 nan 0.000 0.472 630 Q N 1.380 121.208 119.800 0.046 0.000 2.096 630 Q HA -0.165 4.177 4.340 0.003 0.000 0.204 630 Q C 1.878 177.929 176.000 0.085 0.000 0.982 630 Q CA 1.982 57.822 55.803 0.061 0.000 0.850 630 Q CB 0.255 29.015 28.738 0.036 0.000 0.901 630 Q HN 0.377 nan 8.270 nan 0.000 0.422 631 V N 0.084 120.036 119.914 0.063 0.000 2.951 631 V HA -0.066 4.056 4.120 0.003 0.000 0.255 631 V C 2.049 178.184 176.094 0.067 0.000 1.088 631 V CA 1.294 63.628 62.300 0.057 0.000 1.109 631 V CB 0.201 32.047 31.823 0.037 0.000 0.724 631 V HN 0.202 nan 8.190 nan 0.000 0.471 632 S N -0.855 114.893 115.700 0.080 0.000 2.425 632 S HA -0.092 4.380 4.470 0.003 0.000 0.225 632 S C 1.945 176.626 174.600 0.136 0.000 1.024 632 S CA 0.925 59.175 58.200 0.085 0.000 0.951 632 S CB -0.231 63.005 63.200 0.060 0.000 0.796 632 S HN 0.757 nan 8.310 nan 0.000 0.498 633 H N 1.553 120.665 119.070 0.070 0.000 2.423 633 H HA 0.012 4.570 4.556 0.003 0.000 0.297 633 H C 2.139 177.539 175.328 0.121 0.000 1.075 633 H CA 1.801 57.921 56.048 0.120 0.000 1.342 633 H CB -0.179 29.637 29.762 0.091 0.000 1.395 633 H HN 0.250 nan 8.280 nan 0.000 0.530 634 Q N 0.819 120.684 119.800 0.108 0.000 2.082 634 Q HA -0.246 4.096 4.340 0.003 0.000 0.211 634 Q C 2.001 177.994 176.000 -0.012 0.000 1.002 634 Q CA 2.609 58.434 55.803 0.037 0.000 0.868 634 Q CB -0.072 28.696 28.738 0.049 0.000 0.931 634 Q HN 0.706 nan 8.270 nan 0.000 0.414 635 E N -1.135 119.078 120.200 0.022 0.000 2.107 635 E HA -0.115 4.237 4.350 0.003 0.000 0.191 635 E C 1.615 178.227 176.600 0.020 0.000 0.982 635 E CA 0.861 57.274 56.400 0.021 0.000 0.809 635 E CB -0.232 29.496 29.700 0.046 0.000 0.756 635 E HN 0.395 nan 8.360 nan 0.000 0.459 636 F N 1.410 121.284 119.950 -0.127 0.000 2.365 636 F HA -0.107 4.422 4.527 0.003 0.000 0.300 636 F C 2.052 177.725 175.800 -0.212 0.000 1.090 636 F CA 0.821 58.730 58.000 -0.150 0.000 1.408 636 F CB 0.009 38.929 39.000 -0.133 0.000 1.060 636 F HN -0.148 nan 8.300 nan 0.000 0.534 637 S N 0.277 115.771 115.700 -0.342 0.000 2.383 637 S HA -0.226 4.246 4.470 0.003 0.000 0.229 637 S C 1.877 176.303 174.600 -0.290 0.000 1.030 637 S CA 1.718 59.706 58.200 -0.354 0.000 1.002 637 S CB -0.203 62.863 63.200 -0.225 0.000 0.829 637 S HN 0.416 nan 8.310 nan 0.000 0.467 638 K N 0.728 120.994 120.400 -0.225 0.000 2.067 638 K HA 0.220 4.542 4.320 0.003 0.000 0.203 638 K C 2.086 178.560 176.600 -0.209 0.000 1.048 638 K CA 0.817 57.002 56.287 -0.170 0.000 0.954 638 K CB -0.190 32.248 32.500 -0.102 0.000 0.737 638 K HN 0.218 nan 8.250 nan 0.000 0.444 639 M N 0.939 120.394 119.600 -0.241 0.000 2.446 639 M HA -0.090 4.392 4.480 0.003 0.000 0.263 639 M C 0.558 176.665 176.300 -0.322 0.000 1.066 639 M CA 1.033 56.203 55.300 -0.217 0.000 1.087 639 M CB 0.246 32.777 32.600 -0.115 0.000 1.406 639 M HN -0.087 nan 8.290 nan 0.000 0.459 640 K N 1.179 121.242 120.400 -0.562 0.000 2.394 640 K HA 0.327 4.649 4.320 0.003 0.000 0.260 640 K C -1.217 175.189 176.600 -0.324 0.000 0.967 640 K CA -0.153 55.836 56.287 -0.497 0.000 0.855 640 K CB 1.169 33.154 32.500 -0.858 0.000 1.101 640 K HN 0.106 nan 8.250 nan 0.000 0.433 641 Q N 1.434 121.123 119.800 -0.185 0.000 2.501 641 Q HA 0.436 4.778 4.340 0.003 0.000 0.288 641 Q C -1.534 174.422 176.000 -0.075 0.000 1.051 641 Q CA -0.848 54.881 55.803 -0.123 0.000 0.788 641 Q CB 2.653 31.327 28.738 -0.108 0.000 1.469 641 Q HN 0.690 nan 8.270 nan 0.000 0.416 642 S N -0.745 114.922 115.700 -0.054 0.000 2.655 642 S HA 0.361 4.833 4.470 0.003 0.000 0.266 642 S C -0.854 173.730 174.600 -0.026 0.000 1.149 642 S CA -0.453 57.727 58.200 -0.034 0.000 0.818 642 S CB 1.218 64.404 63.200 -0.024 0.000 1.130 642 S HN 0.747 nan 8.310 nan 0.000 0.476 643 N N 0.711 119.400 118.700 -0.018 0.000 2.530 643 N HA 0.188 4.930 4.740 0.003 0.000 0.216 643 N C 0.830 176.336 175.510 -0.008 0.000 1.031 643 N CA 0.176 53.218 53.050 -0.013 0.000 1.063 643 N CB -0.119 38.361 38.487 -0.012 0.000 1.346 643 N HN 0.649 nan 8.380 nan 0.000 0.515 644 N N 0.257 118.954 118.700 -0.005 0.000 2.297 644 N HA 0.081 4.823 4.740 0.003 0.000 0.208 644 N C 0.868 176.378 175.510 0.000 0.000 1.176 644 N CA -0.068 52.981 53.050 -0.002 0.000 0.882 644 N CB 0.922 39.409 38.487 -0.001 0.000 1.134 644 N HN 0.139 nan 8.380 nan 0.000 0.489 645 E N 0.487 120.686 120.200 -0.001 0.000 2.110 645 E HA -0.099 4.253 4.350 0.003 0.000 0.193 645 E C 1.382 177.984 176.600 0.003 0.000 0.988 645 E CA 1.078 57.478 56.400 0.001 0.000 0.804 645 E CB 0.130 29.829 29.700 -0.001 0.000 0.745 645 E HN 0.348 nan 8.360 nan 0.000 0.458 646 A N 0.535 123.356 122.820 0.003 0.000 2.140 646 A HA 0.044 4.366 4.320 0.003 0.000 0.209 646 A C 1.651 179.243 177.584 0.013 0.000 1.181 646 A CA -0.059 51.983 52.037 0.008 0.000 0.824 646 A CB -0.084 18.919 19.000 0.004 0.000 0.879 646 A HN 0.111 nan 8.150 nan 0.000 0.480 647 N N 0.199 118.904 118.700 0.009 0.000 2.192 647 N HA -0.145 4.597 4.740 0.003 0.000 0.188 647 N C 1.595 177.114 175.510 0.016 0.000 1.013 647 N CA 1.223 54.281 53.050 0.012 0.000 0.863 647 N CB -0.131 38.361 38.487 0.008 0.000 0.990 647 N HN 0.456 nan 8.380 nan 0.000 0.430 648 L N 0.708 121.939 121.223 0.013 0.000 1.993 648 L HA -0.135 4.207 4.340 0.003 0.000 0.206 648 L C 2.700 179.581 176.870 0.018 0.000 1.074 648 L CA 0.917 55.765 54.840 0.014 0.000 0.746 648 L CB -0.414 41.652 42.059 0.011 0.000 0.896 648 L HN 0.113 nan 8.230 nan 0.000 0.435 649 R N 0.164 120.675 120.500 0.018 0.000 2.136 649 R HA -0.282 4.060 4.340 0.003 0.000 0.242 649 R C 2.331 178.648 176.300 0.028 0.000 1.131 649 R CA 2.318 58.431 56.100 0.021 0.000 0.937 649 R CB -0.425 29.888 30.300 0.021 0.000 0.863 649 R HN 0.364 nan 8.270 nan 0.000 0.435 650 E N 0.926 121.147 120.200 0.034 0.000 2.035 650 E HA -0.280 4.072 4.350 0.003 0.000 0.204 650 E C 1.155 177.779 176.600 0.040 0.000 1.025 650 E CA 1.887 58.315 56.400 0.045 0.000 0.835 650 E CB -0.312 29.419 29.700 0.053 0.000 0.764 650 E HN 0.521 nan 8.360 nan 0.000 0.457 651 E N -0.177 120.044 120.200 0.034 0.000 2.438 651 E HA -0.003 4.349 4.350 0.003 0.000 0.192 651 E C 1.435 178.052 176.600 0.029 0.000 1.110 651 E CA -0.173 56.246 56.400 0.032 0.000 0.893 651 E CB 0.342 30.059 29.700 0.028 0.000 0.990 651 E HN 0.145 nan 8.360 nan 0.000 0.490 652 V N -0.243 119.688 119.914 0.028 0.000 2.690 652 V HA -0.109 4.013 4.120 0.003 0.000 0.240 652 V C 1.677 177.788 176.094 0.029 0.000 1.078 652 V CA 0.371 62.686 62.300 0.026 0.000 1.102 652 V CB 0.035 31.871 31.823 0.021 0.000 0.800 652 V HN 0.260 nan 8.190 nan 0.000 0.479 653 L N 0.453 121.693 121.223 0.028 0.000 2.131 653 L HA -0.085 4.258 4.340 0.003 0.000 0.210 653 L C 2.302 179.189 176.870 0.028 0.000 1.092 653 L CA 1.683 56.538 54.840 0.025 0.000 0.759 653 L CB -1.032 41.042 42.059 0.025 0.000 0.903 653 L HN 0.295 nan 8.230 nan 0.000 0.435 654 K N -0.444 119.975 120.400 0.031 0.000 2.097 654 K HA -0.121 4.201 4.320 0.003 0.000 0.206 654 K C 1.637 178.260 176.600 0.039 0.000 1.049 654 K CA 1.244 57.549 56.287 0.031 0.000 0.933 654 K CB -0.252 32.267 32.500 0.031 0.000 0.717 654 K HN 0.411 nan 8.250 nan 0.000 0.442 655 N N 0.871 119.597 118.700 0.043 0.000 2.416 655 N HA -0.029 4.713 4.740 0.003 0.000 0.177 655 N C 1.859 177.407 175.510 0.063 0.000 1.036 655 N CA 0.644 53.727 53.050 0.056 0.000 0.901 655 N CB 0.093 38.611 38.487 0.053 0.000 0.976 655 N HN 0.139 nan 8.380 nan 0.000 0.444 656 L N 0.758 122.012 121.223 0.051 0.000 2.162 656 L HA 0.046 4.388 4.340 0.003 0.000 0.205 656 L C 2.444 179.357 176.870 0.073 0.000 1.086 656 L CA 0.537 55.410 54.840 0.056 0.000 0.778 656 L CB -0.326 41.755 42.059 0.035 0.000 0.928 656 L HN 0.038 nan 8.230 nan 0.000 0.446 657 A N -0.024 122.829 122.820 0.055 0.000 1.873 657 A HA -0.259 4.063 4.320 0.003 0.000 0.218 657 A C 2.337 179.982 177.584 0.101 0.000 1.193 657 A CA 2.648 54.723 52.037 0.063 0.000 0.629 657 A CB -1.134 17.885 19.000 0.032 0.000 0.826 657 A HN 0.422 nan 8.150 nan 0.000 0.447 658 T N 0.518 115.115 114.554 0.071 0.000 2.720 658 T HA -0.058 4.294 4.350 0.003 0.000 0.268 658 T C 2.192 176.919 174.700 0.045 0.000 1.037 658 T CA 1.768 63.900 62.100 0.053 0.000 1.144 658 T CB -0.639 68.261 68.868 0.053 0.000 0.864 658 T HN 0.657 nan 8.240 nan 0.000 0.444 659 A N 0.890 123.757 122.820 0.078 0.000 1.892 659 A HA -0.169 4.153 4.320 0.003 0.000 0.218 659 A C 2.110 179.763 177.584 0.113 0.000 1.188 659 A CA 1.955 54.044 52.037 0.086 0.000 0.631 659 A CB -1.193 17.866 19.000 0.098 0.000 0.822 659 A HN 0.602 nan 8.150 nan 0.000 0.447 660 Y N 1.253 121.570 120.300 0.029 0.000 2.097 660 Y HA -0.265 4.287 4.550 0.003 0.000 0.282 660 Y C 1.995 177.954 175.900 0.098 0.000 1.152 660 Y CA 2.237 60.367 58.100 0.050 0.000 1.136 660 Y CB -0.425 38.041 38.460 0.010 0.000 0.975 660 Y HN 0.388 nan 8.280 nan 0.000 0.498 661 D N 0.017 120.487 120.400 0.117 0.000 2.126 661 D HA -0.244 4.398 4.640 0.003 0.000 0.190 661 D C 1.756 177.995 176.300 -0.101 0.000 1.001 661 D CA 2.105 56.108 54.000 0.003 0.000 0.841 661 D CB -0.761 40.069 40.800 0.050 0.000 0.949 661 D HN 0.566 nan 8.370 nan 0.000 0.446 662 N N -0.749 117.887 118.700 -0.106 0.000 2.205 662 N HA -0.150 4.592 4.740 0.003 0.000 0.186 662 N C 1.603 177.052 175.510 -0.102 0.000 1.015 662 N CA 0.505 53.446 53.050 -0.183 0.000 0.862 662 N CB -0.189 38.063 38.487 -0.391 0.000 0.986 662 N HN 0.106 nan 8.380 nan 0.000 0.429 663 F N 1.457 121.286 119.950 -0.201 0.000 2.051 663 F HA -0.158 4.371 4.527 0.003 0.000 0.296 663 F C 2.059 177.723 175.800 -0.227 0.000 1.122 663 F CA 1.109 58.998 58.000 -0.185 0.000 1.201 663 F CB -0.464 38.415 39.000 -0.201 0.000 0.978 663 F HN -0.222 nan 8.300 nan 0.000 0.472 664 V N 0.230 120.004 119.914 -0.233 0.000 2.343 664 V HA -0.284 3.838 4.120 0.003 0.000 0.247 664 V C 2.211 178.160 176.094 -0.242 0.000 1.051 664 V CA 2.221 64.356 62.300 -0.274 0.000 1.036 664 V CB -0.709 30.963 31.823 -0.252 0.000 0.654 664 V HN 0.291 nan 8.190 nan 0.000 0.451 665 E N -0.577 119.509 120.200 -0.191 0.000 2.265 665 E HA -0.176 4.176 4.350 0.003 0.000 0.196 665 E C 1.793 178.295 176.600 -0.164 0.000 0.996 665 E CA 0.800 57.113 56.400 -0.146 0.000 0.832 665 E CB -0.008 29.623 29.700 -0.114 0.000 0.756 665 E HN 0.380 nan 8.360 nan 0.000 0.491 666 L N -1.388 119.701 121.223 -0.223 0.000 2.286 666 L HA 0.037 4.379 4.340 0.003 0.000 0.203 666 L C 1.910 178.609 176.870 -0.285 0.000 1.068 666 L CA 0.671 55.380 54.840 -0.219 0.000 0.811 666 L CB -0.266 41.682 42.059 -0.186 0.000 0.989 666 L HN 0.009 nan 8.230 nan 0.000 0.467 667 V N -0.052 119.605 119.914 -0.430 0.000 2.223 667 V HA -0.264 3.858 4.120 0.003 0.000 0.244 667 V C 2.653 178.601 176.094 -0.243 0.000 1.045 667 V CA 1.699 63.760 62.300 -0.398 0.000 1.000 667 V CB -1.215 30.274 31.823 -0.557 0.000 0.635 667 V HN 0.472 nan 8.190 nan 0.000 0.445 668 A N -0.056 122.637 122.820 -0.212 0.000 2.084 668 A HA -0.288 4.034 4.320 0.003 0.000 0.221 668 A C 2.136 179.642 177.584 -0.130 0.000 1.161 668 A CA 2.148 54.100 52.037 -0.141 0.000 0.653 668 A CB -0.768 18.163 19.000 -0.116 0.000 0.802 668 A HN 0.643 nan 8.150 nan 0.000 0.457 669 N N -0.161 118.452 118.700 -0.147 0.000 2.220 669 N HA 0.008 4.750 4.740 0.003 0.000 0.182 669 N C 1.698 177.126 175.510 -0.136 0.000 1.023 669 N CA 1.016 53.986 53.050 -0.132 0.000 0.856 669 N CB -0.103 38.310 38.487 -0.122 0.000 0.997 669 N HN 0.495 nan 8.380 nan 0.000 0.429 670 L N 0.974 122.109 121.223 -0.147 0.000 2.156 670 L HA -0.054 4.288 4.340 0.003 0.000 0.208 670 L C 2.440 179.238 176.870 -0.119 0.000 1.095 670 L CA 0.820 55.579 54.840 -0.135 0.000 0.770 670 L CB -0.228 41.740 42.059 -0.152 0.000 0.914 670 L HN 0.091 nan 8.230 nan 0.000 0.439 671 K N -0.060 120.270 120.400 -0.116 0.000 2.002 671 K HA -0.211 4.111 4.320 0.003 0.000 0.209 671 K C 2.126 178.677 176.600 -0.082 0.000 1.048 671 K CA 1.267 57.501 56.287 -0.088 0.000 0.930 671 K CB -0.109 32.343 32.500 -0.081 0.000 0.714 671 K HN 0.138 nan 8.250 nan 0.000 0.438 672 E N 0.422 120.566 120.200 -0.094 0.000 2.265 672 E HA -0.135 4.217 4.350 0.003 0.000 0.196 672 E C 1.780 178.304 176.600 -0.127 0.000 0.996 672 E CA 1.172 57.517 56.400 -0.092 0.000 0.832 672 E CB 0.041 29.680 29.700 -0.100 0.000 0.756 672 E HN 0.399 nan 8.360 nan 0.000 0.491 673 G N 0.064 108.764 108.800 -0.168 0.000 2.425 673 G HA2 -0.190 3.772 3.960 0.003 0.000 0.213 673 G HA3 -0.190 3.772 3.960 0.003 0.000 0.213 673 G C 1.662 176.375 174.900 -0.311 0.000 1.201 673 G CA 1.137 46.068 45.100 -0.282 0.000 0.799 673 G HN 0.265 nan 8.290 nan 0.000 0.534 674 T N 0.543 115.007 114.554 -0.149 0.000 2.684 674 T HA -0.110 4.242 4.350 0.003 0.000 0.267 674 T C 2.106 176.785 174.700 -0.034 0.000 1.036 674 T CA 1.470 63.537 62.100 -0.055 0.000 1.148 674 T CB -0.170 68.685 68.868 -0.021 0.000 0.863 674 T HN 0.262 nan 8.240 nan 0.000 0.436 675 K N -0.167 120.214 120.400 -0.033 0.000 2.643 675 K HA 0.028 4.350 4.320 0.003 0.000 0.193 675 K C 1.164 177.788 176.600 0.040 0.000 1.027 675 K CA 0.318 56.603 56.287 -0.004 0.000 1.033 675 K CB -0.128 32.368 32.500 -0.006 0.000 0.827 675 K HN 0.356 nan 8.250 nan 0.000 0.500 676 F N -1.367 118.483 119.950 -0.167 0.000 2.557 676 F HA 0.101 4.630 4.527 0.003 0.000 0.278 676 F C 1.066 176.854 175.800 -0.019 0.000 1.051 676 F CA 0.199 58.108 58.000 -0.153 0.000 1.357 676 F CB 0.196 39.029 39.000 -0.278 0.000 1.104 676 F HN -0.020 nan 8.300 nan 0.000 0.654 677 Y N -0.025 120.293 120.300 0.029 0.000 2.373 677 Y HA -0.146 4.406 4.550 0.003 0.000 0.293 677 Y C 2.147 177.990 175.900 -0.095 0.000 1.129 677 Y CA 0.413 58.480 58.100 -0.055 0.000 1.226 677 Y CB -0.368 38.117 38.460 0.042 0.000 1.000 677 Y HN 0.096 nan 8.280 nan 0.000 0.549 678 N N 0.760 119.499 118.700 0.065 0.000 2.188 678 N HA -0.186 4.556 4.740 0.003 0.000 0.184 678 N C 1.657 177.142 175.510 -0.041 0.000 1.018 678 N CA 1.113 54.169 53.050 0.011 0.000 0.858 678 N CB -0.150 38.341 38.487 0.007 0.000 0.989 678 N HN 0.478 nan 8.380 nan 0.000 0.426 679 E N 0.057 120.196 120.200 -0.102 0.000 2.204 679 E HA -0.118 4.234 4.350 0.003 0.000 0.194 679 E C 1.841 178.337 176.600 -0.174 0.000 0.989 679 E CA 0.348 56.660 56.400 -0.145 0.000 0.824 679 E CB 0.098 29.680 29.700 -0.198 0.000 0.756 679 E HN 0.110 nan 8.360 nan 0.000 0.477 680 L N 0.357 121.454 121.223 -0.210 0.000 2.095 680 L HA -0.102 4.240 4.340 0.003 0.000 0.204 680 L C 2.189 179.030 176.870 -0.047 0.000 1.080 680 L CA 1.731 56.488 54.840 -0.139 0.000 0.759 680 L CB -0.604 41.386 42.059 -0.116 0.000 0.914 680 L HN 0.095 nan 8.230 nan 0.000 0.439 681 T N -0.542 113.992 114.554 -0.034 0.000 2.620 681 T HA -0.292 4.060 4.350 0.003 0.000 0.267 681 T C 1.640 176.327 174.700 -0.021 0.000 1.044 681 T CA 2.123 64.209 62.100 -0.024 0.000 1.161 681 T CB -0.473 68.386 68.868 -0.014 0.000 0.862 681 T HN 0.484 nan 8.240 nan 0.000 0.438 682 E N 0.499 120.686 120.200 -0.021 0.000 2.106 682 E HA -0.043 4.309 4.350 0.003 0.000 0.192 682 E C 2.231 178.834 176.600 0.005 0.000 0.984 682 E CA 0.761 57.154 56.400 -0.011 0.000 0.806 682 E CB -0.197 29.494 29.700 -0.015 0.000 0.750 682 E HN 0.432 nan 8.360 nan 0.000 0.458 683 I N 0.740 121.316 120.570 0.010 0.000 2.493 683 I HA -0.189 3.983 4.170 0.003 0.000 0.254 683 I C 2.132 178.291 176.117 0.071 0.000 1.160 683 I CA 1.160 62.494 61.300 0.058 0.000 1.445 683 I CB -0.599 37.448 38.000 0.078 0.000 1.086 683 I HN 0.160 nan 8.210 nan 0.000 0.433 684 L N -0.280 120.949 121.223 0.009 0.000 2.446 684 L HA -0.008 4.334 4.340 0.003 0.000 0.219 684 L C 2.453 179.326 176.870 0.006 0.000 1.116 684 L CA 0.121 54.926 54.840 -0.058 0.000 0.844 684 L CB -0.057 41.928 42.059 -0.123 0.000 0.970 684 L HN -0.041 nan 8.230 nan 0.000 0.457 685 V N -0.155 119.762 119.914 0.005 0.000 2.307 685 V HA -0.237 3.885 4.120 0.003 0.000 0.245 685 V C 2.624 178.723 176.094 0.010 0.000 1.045 685 V CA 1.467 63.766 62.300 -0.001 0.000 1.024 685 V CB -0.636 31.182 31.823 -0.009 0.000 0.651 685 V HN 0.446 nan 8.190 nan 0.000 0.449 686 R N -0.313 120.207 120.500 0.035 0.000 2.113 686 R HA -0.235 4.107 4.340 0.003 0.000 0.244 686 R C 2.202 178.531 176.300 0.047 0.000 1.142 686 R CA 2.128 58.255 56.100 0.046 0.000 0.953 686 R CB -1.338 29.012 30.300 0.083 0.000 0.860 686 R HN 0.524 nan 8.270 nan 0.000 0.438 687 F N 2.108 122.002 119.950 -0.093 0.000 2.186 687 F HA -0.179 4.350 4.527 0.003 0.000 0.299 687 F C 2.860 178.576 175.800 -0.140 0.000 1.090 687 F CA 1.669 59.583 58.000 -0.143 0.000 1.307 687 F CB -0.247 38.563 39.000 -0.317 0.000 1.019 687 F HN 0.061 nan 8.300 nan 0.000 0.489 688 Q N 0.335 120.103 119.800 -0.053 0.000 2.020 688 Q HA -0.252 4.090 4.340 0.003 0.000 0.202 688 Q C 1.834 177.735 176.000 -0.164 0.000 0.982 688 Q CA 2.352 58.084 55.803 -0.119 0.000 0.838 688 Q CB -0.262 28.443 28.738 -0.055 0.000 0.899 688 Q HN 0.399 nan 8.270 nan 0.000 0.423 689 N N 0.105 118.735 118.700 -0.117 0.000 2.166 689 N HA -0.129 4.613 4.740 0.003 0.000 0.186 689 N C 1.349 176.780 175.510 -0.131 0.000 1.019 689 N CA 1.127 54.112 53.050 -0.108 0.000 0.856 689 N CB -0.064 38.379 38.487 -0.072 0.000 0.993 689 N HN 0.167 nan 8.380 nan 0.000 0.426 690 K N 0.258 120.555 120.400 -0.171 0.000 2.057 690 K HA -0.043 4.279 4.320 0.003 0.000 0.206 690 K C 1.617 178.080 176.600 -0.228 0.000 1.050 690 K CA 1.002 57.184 56.287 -0.174 0.000 0.935 690 K CB -0.164 32.231 32.500 -0.176 0.000 0.715 690 K HN 0.259 nan 8.250 nan 0.000 0.439 691 C N -0.122 118.948 119.300 -0.384 0.000 2.446 691 C HA -0.048 4.414 4.460 0.003 0.000 0.277 691 C C 3.026 177.898 174.990 -0.196 0.000 1.275 691 C CA 1.040 59.843 59.018 -0.358 0.000 1.727 691 C CB -0.740 26.710 27.740 -0.483 0.000 2.010 691 C HN 0.592 nan 8.230 nan 0.000 0.486 692 S N 1.083 116.689 115.700 -0.157 0.000 2.368 692 S HA -0.207 4.265 4.470 0.003 0.000 0.225 692 S C 1.306 175.907 174.600 0.002 0.000 1.030 692 S CA 2.173 60.327 58.200 -0.076 0.000 0.999 692 S CB -0.453 62.694 63.200 -0.088 0.000 0.844 692 S HN 0.602 nan 8.310 nan 0.000 0.459 693 D N 0.393 120.785 120.400 -0.012 0.000 2.269 693 D HA 0.060 4.702 4.640 0.003 0.000 0.208 693 D C 1.658 178.034 176.300 0.125 0.000 0.963 693 D CA 0.616 54.657 54.000 0.068 0.000 0.864 693 D CB 0.003 40.813 40.800 0.017 0.000 0.936 693 D HN 0.365 nan 8.370 nan 0.000 0.505 694 I N -0.007 120.601 120.570 0.063 0.000 2.852 694 I HA -0.053 4.119 4.170 0.003 0.000 0.264 694 I C 1.728 177.930 176.117 0.142 0.000 1.179 694 I CA 0.585 61.945 61.300 0.100 0.000 1.480 694 I CB -0.294 37.762 38.000 0.094 0.000 1.111 694 I HN -0.057 nan 8.210 nan 0.000 0.441 695 V N -0.080 119.896 119.914 0.103 0.000 3.461 695 V HA -0.130 3.992 4.120 0.003 0.000 0.267 695 V C 1.925 178.108 176.094 0.149 0.000 1.186 695 V CA 0.829 63.202 62.300 0.121 0.000 1.154 695 V CB -0.622 31.233 31.823 0.054 0.000 0.802 695 V HN 0.256 nan 8.190 nan 0.000 0.474 696 F N 1.194 121.153 119.950 0.014 0.000 2.619 696 F HA 0.329 4.858 4.527 0.003 0.000 0.293 696 F C 2.166 177.976 175.800 0.016 0.000 1.119 696 F CA 0.726 58.733 58.000 0.011 0.000 1.445 696 F CB 0.011 39.008 39.000 -0.005 0.000 1.119 696 F HN 0.077 nan 8.300 nan 0.000 0.573 697 A N 0.603 123.466 122.820 0.072 0.000 2.121 697 A HA 0.019 4.341 4.320 0.003 0.000 0.218 697 A C 1.593 179.131 177.584 -0.077 0.000 1.154 697 A CA 0.477 52.510 52.037 -0.005 0.000 0.679 697 A CB -0.383 18.649 19.000 0.053 0.000 0.795 697 A HN 0.112 nan 8.150 nan 0.000 0.458 698 R N 0.000 120.468 120.500 -0.053 0.000 2.786 698 R HA 0.000 4.342 4.340 0.003 0.000 0.208 698 R CA 0.000 56.072 56.100 -0.047 0.000 0.921 698 R CB 0.000 30.337 30.300 0.062 0.000 0.687 698 R HN 0.000 nan 8.270 nan 0.000 0.535