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 1kc7_1_A DATA FIRST_RESID 2 DATA SEQUENCE AKWVYKFEEG NASMRNLLGG KGCNLAEMTI LGMPIPQGFT VTTEACTEYY DATA SEQUENCE NSGKQITQEI QDQIFEAITW LEELNGKKFG DTEDPLLVSV RSGARASMPG DATA SEQUENCE MMDTILNLGL NDVAVEGFAK KTGNPRFAYD SYRRFIQMYS DVVMEVPKSH DATA SEQUENCE FEKIIDAMKE EKGVHFDTDL TADDLKELAE KFKAVYKEAM NGEEFPQEPK DATA SEQUENCE DQLMGAVKAV FRSWDNPRAI VYRRMNDIPG DWGTAVNVQT MVFGNKGETS DATA SEQUENCE GTGVAFTRNP STGEKGIYGE YLINAQGEDV VAGVRTPQPI TQLENDMPDC DATA SEQUENCE YKQFMDLAMK LEKHFRDMQD MEFTIEEGKL YFLQTRNGKR TAPAALQIAC DATA SEQUENCE DLVDEGMITE EEAVVRIEAK SLDQLLHPTF NPAALKAGEV IGSALPASPG DATA SEQUENCE AAAGKVYFTA DEAKAAHEKG ERVILVRLET SPEDIEGMHA AEGILTVRGG DATA SEQUENCE MTSHAAVVAR GMGTCCVSGC GEIKINEEAK TFELGGHTFA EGDYISLDGS DATA SEQUENCE TGKIYKGDIE TQEASVSGSF ERIMVWADKF RTLKVRTNAD TPEDTLNAVK DATA SEQUENCE LGAEGIGLCR TEHMFFEADR IMKIRKMILS DSVEAREEAL NELIPFQKGD DATA SEQUENCE FKAMYKALEG RPMTVRYLDP PLHEFVPHTE EEQAELAKNM GLTLAEVKAK DATA SEQUENCE VDELHEFNPM MGHRGCRLAV TYPEIAKMQT RAVMEAAIEV KEETGIDIVP DATA SEQUENCE EIMIPLVGEK KELKFVKDVV VEVAEQVKKE KGSDMQYHIG TMIEIPRAAL DATA SEQUENCE TADAIAEEAE FFSFGTNDLT QMTFGFSRDD AGKFLDSYYK AKIYESDPFA DATA SEQUENCE RLDQTGVGQL VEMAVKKGRQ TRPGLKCGIC GEHGGDPSSV EFCHKVGLNY DATA SEQUENCE VSCSPFRVPI ARLAAAQAAL NN 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 0.000 177.153 177.584 -0.718 0.000 1.274 2 A CA 0.000 51.798 52.037 -0.399 0.000 0.836 2 A CB 0.000 18.893 19.000 -0.178 0.000 0.831 3 K N -0.767 119.307 120.400 -0.543 0.000 3.851 3 K HA -0.135 4.223 4.320 0.064 0.000 0.284 3 K C -0.583 175.749 176.600 -0.446 0.000 1.048 3 K CA 1.646 57.655 56.287 -0.463 0.000 0.862 3 K CB -1.986 30.297 32.500 -0.362 0.000 1.439 3 K HN 0.809 nan 8.250 nan 0.000 0.446 4 W N 0.348 121.630 121.300 -0.030 0.000 3.220 4 W HA 0.322 5.020 4.660 0.063 0.000 0.328 4 W C 0.160 176.730 176.519 0.085 0.000 1.205 4 W CA -0.347 57.031 57.345 0.056 0.000 1.773 4 W CB 0.944 30.423 29.460 0.032 0.000 1.086 4 W HN 0.059 nan 8.180 nan 0.000 0.622 5 V N -0.014 119.967 119.914 0.112 0.000 2.841 5 V HA 0.397 4.555 4.120 0.064 0.000 0.310 5 V C -1.357 174.630 176.094 -0.180 0.000 1.090 5 V CA -1.242 61.107 62.300 0.082 0.000 0.930 5 V CB 1.783 33.574 31.823 -0.053 0.000 1.014 5 V HN -0.217 nan 8.190 nan 0.000 0.425 6 Y N 1.795 122.107 120.300 0.021 0.000 2.442 6 Y HA 0.550 5.138 4.550 0.064 0.000 0.344 6 Y C 0.359 176.242 175.900 -0.028 0.000 0.976 6 Y CA -1.025 57.057 58.100 -0.030 0.000 1.040 6 Y CB 2.028 40.504 38.460 0.027 0.000 1.228 6 Y HN 0.499 nan 8.280 nan 0.000 0.451 7 K N 1.983 122.322 120.400 -0.102 0.000 2.168 7 K HA 0.189 4.547 4.320 0.064 0.000 0.258 7 K C 0.238 176.942 176.600 0.173 0.000 1.010 7 K CA -0.500 55.638 56.287 -0.247 0.000 0.929 7 K CB 0.562 32.651 32.500 -0.684 0.000 0.998 7 K HN 0.486 nan 8.250 nan 0.000 0.479 8 F N 1.684 121.726 119.950 0.153 0.000 2.161 8 F HA -0.187 4.378 4.527 0.064 0.000 0.300 8 F C 2.246 178.123 175.800 0.127 0.000 1.089 8 F CA 1.469 59.565 58.000 0.159 0.000 1.282 8 F CB -0.808 38.307 39.000 0.192 0.000 1.010 8 F HN 0.694 nan 8.300 nan 0.000 0.485 9 E N 0.468 120.865 120.200 0.328 0.000 2.204 9 E HA -0.211 4.177 4.350 0.064 0.000 0.194 9 E C 1.338 178.025 176.600 0.145 0.000 0.989 9 E CA 1.418 57.946 56.400 0.212 0.000 0.824 9 E CB -0.751 29.069 29.700 0.201 0.000 0.756 9 E HN 0.513 nan 8.360 nan 0.000 0.477 10 E N 1.175 121.458 120.200 0.137 0.000 2.482 10 E HA 0.073 4.461 4.350 0.064 0.000 0.196 10 E C 0.772 177.472 176.600 0.167 0.000 1.047 10 E CA 0.427 56.912 56.400 0.142 0.000 0.869 10 E CB 0.389 30.180 29.700 0.153 0.000 0.836 10 E HN 0.339 nan 8.360 nan 0.000 0.520 11 G N 0.808 109.693 108.800 0.141 0.000 3.042 11 G HA2 0.460 4.458 3.960 0.064 0.000 0.278 11 G HA3 0.460 4.458 3.960 0.064 0.000 0.278 11 G C -0.898 174.032 174.900 0.049 0.000 1.371 11 G CA -0.663 44.475 45.100 0.063 0.000 1.009 11 G HN 0.191 nan 8.290 nan 0.000 0.523 12 N N -3.395 115.315 118.700 0.017 0.000 3.106 12 N HA 0.492 5.270 4.740 0.064 0.000 0.253 12 N C 0.647 176.175 175.510 0.029 0.000 1.506 12 N CA -0.023 53.044 53.050 0.030 0.000 0.876 12 N CB 0.989 39.490 38.487 0.024 0.000 1.452 12 N HN 0.708 nan 8.380 nan 0.000 0.542 13 A N -0.482 122.378 122.820 0.068 0.000 2.178 13 A HA -0.041 4.318 4.320 0.064 0.000 0.218 13 A C 1.282 178.889 177.584 0.038 0.000 1.157 13 A CA 1.637 53.731 52.037 0.096 0.000 0.689 13 A CB -1.172 17.942 19.000 0.190 0.000 0.787 13 A HN 0.609 nan 8.150 nan 0.000 0.465 14 S N -0.308 115.394 115.700 0.004 0.000 2.425 14 S HA 0.041 4.549 4.470 0.064 0.000 0.225 14 S C 1.390 175.957 174.600 -0.055 0.000 1.024 14 S CA 0.890 59.075 58.200 -0.025 0.000 0.951 14 S CB -0.282 62.901 63.200 -0.029 0.000 0.796 14 S HN 0.602 nan 8.310 nan 0.000 0.498 15 M N 1.757 121.316 119.600 -0.068 0.000 2.654 15 M HA 0.213 4.731 4.480 0.064 0.000 0.217 15 M C 1.824 178.053 176.300 -0.119 0.000 1.183 15 M CA -0.048 55.182 55.300 -0.117 0.000 0.991 15 M CB -0.259 32.244 32.600 -0.161 0.000 1.749 15 M HN 0.208 nan 8.290 nan 0.000 0.475 16 R N 1.178 121.624 120.500 -0.089 0.000 2.117 16 R HA -0.198 4.180 4.340 0.064 0.000 0.243 16 R C 1.405 177.625 176.300 -0.133 0.000 1.143 16 R CA 1.841 57.887 56.100 -0.089 0.000 0.968 16 R CB -0.061 30.196 30.300 -0.070 0.000 0.863 16 R HN 0.417 nan 8.270 nan 0.000 0.444 17 N N 0.505 119.099 118.700 -0.178 0.000 2.309 17 N HA -0.150 4.628 4.740 0.064 0.000 0.182 17 N C 1.515 176.916 175.510 -0.182 0.000 1.018 17 N CA 0.847 53.754 53.050 -0.238 0.000 0.876 17 N CB -0.149 38.176 38.487 -0.270 0.000 0.972 17 N HN 0.227 nan 8.380 nan 0.000 0.434 18 L N 0.149 121.276 121.223 -0.160 0.000 2.168 18 L HA 0.205 4.583 4.340 0.064 0.000 0.203 18 L C 1.751 178.555 176.870 -0.110 0.000 1.078 18 L CA 1.021 55.773 54.840 -0.148 0.000 0.780 18 L CB -0.159 41.763 42.059 -0.228 0.000 0.939 18 L HN 0.010 nan 8.230 nan 0.000 0.451 19 L N -0.716 120.440 121.223 -0.112 0.000 2.249 19 L HA 0.389 4.767 4.340 0.064 0.000 0.207 19 L C 1.067 177.929 176.870 -0.013 0.000 1.090 19 L CA 0.349 55.163 54.840 -0.045 0.000 0.802 19 L CB -0.781 41.251 42.059 -0.046 0.000 0.947 19 L HN 0.408 nan 8.230 nan 0.000 0.453 20 G N -0.910 107.866 108.800 -0.040 0.000 2.663 20 G HA2 -0.118 3.881 3.960 0.064 0.000 0.686 20 G HA3 -0.118 3.881 3.960 0.064 0.000 0.686 20 G C 0.494 175.388 174.900 -0.010 0.000 1.288 20 G CA -0.519 44.570 45.100 -0.018 0.000 0.836 20 G HN 0.196 nan 8.290 nan 0.000 0.584 21 G N 0.012 108.818 108.800 0.011 0.000 2.480 21 G HA2 -0.151 3.847 3.960 0.064 0.000 0.216 21 G HA3 -0.151 3.847 3.960 0.064 0.000 0.216 21 G C 1.676 176.566 174.900 -0.015 0.000 1.200 21 G CA 1.774 46.876 45.100 0.004 0.000 0.782 21 G HN 0.899 nan 8.290 nan 0.000 0.554 22 K N 0.334 120.731 120.400 -0.006 0.000 2.032 22 K HA -0.076 4.282 4.320 0.064 0.000 0.209 22 K C 2.772 179.338 176.600 -0.058 0.000 1.048 22 K CA 1.089 57.359 56.287 -0.029 0.000 0.927 22 K CB -0.591 31.906 32.500 -0.006 0.000 0.712 22 K HN 0.284 nan 8.250 nan 0.000 0.441 23 G N 1.773 110.559 108.800 -0.024 0.000 2.446 23 G HA2 -0.332 3.666 3.960 0.064 0.000 0.217 23 G HA3 -0.332 3.666 3.960 0.064 0.000 0.217 23 G C 1.962 176.830 174.900 -0.054 0.000 1.168 23 G CA 1.218 46.305 45.100 -0.022 0.000 0.771 23 G HN 0.561 nan 8.290 nan 0.000 0.551 24 C N 0.263 119.546 119.300 -0.029 0.000 2.435 24 C HA 0.076 4.574 4.460 0.064 0.000 0.279 24 C C 2.408 177.399 174.990 0.001 0.000 1.321 24 C CA 0.971 59.982 59.018 -0.013 0.000 1.752 24 C CB -1.106 26.631 27.740 -0.006 0.000 1.959 24 C HN 0.327 nan 8.230 nan 0.000 0.500 25 N N 1.127 119.813 118.700 -0.025 0.000 2.331 25 N HA 0.062 4.840 4.740 0.064 0.000 0.180 25 N C 1.721 177.197 175.510 -0.056 0.000 1.019 25 N CA 1.119 54.167 53.050 -0.004 0.000 0.881 25 N CB -0.329 38.104 38.487 -0.090 0.000 0.972 25 N HN 0.603 nan 8.380 nan 0.000 0.435 26 L N 0.620 121.721 121.223 -0.205 0.000 2.109 26 L HA -0.032 4.347 4.340 0.064 0.000 0.207 26 L C 2.428 179.093 176.870 -0.343 0.000 1.086 26 L CA 0.818 55.409 54.840 -0.416 0.000 0.760 26 L CB -0.334 41.143 42.059 -0.971 0.000 0.910 26 L HN 0.064 nan 8.230 nan 0.000 0.437 27 A N -0.039 122.652 122.820 -0.214 0.000 1.877 27 A HA -0.254 4.105 4.320 0.064 0.000 0.216 27 A C 2.197 179.793 177.584 0.020 0.000 1.186 27 A CA 1.890 53.915 52.037 -0.019 0.000 0.620 27 A CB -0.484 18.543 19.000 0.045 0.000 0.822 27 A HN 0.378 nan 8.150 nan 0.000 0.443 28 E N -0.127 120.096 120.200 0.038 0.000 2.077 28 E HA -0.167 4.221 4.350 0.064 0.000 0.193 28 E C 2.006 178.604 176.600 -0.002 0.000 0.989 28 E CA 1.803 58.241 56.400 0.064 0.000 0.800 28 E CB -0.338 29.488 29.700 0.210 0.000 0.746 28 E HN 0.617 nan 8.360 nan 0.000 0.452 29 M N -0.438 119.172 119.600 0.017 0.000 2.175 29 M HA -0.121 4.397 4.480 0.064 0.000 0.264 29 M C 2.160 178.438 176.300 -0.036 0.000 1.063 29 M CA 1.690 56.970 55.300 -0.034 0.000 1.119 29 M CB -0.294 32.301 32.600 -0.007 0.000 1.377 29 M HN 0.118 nan 8.290 nan 0.000 0.415 30 T N 1.215 115.775 114.554 0.010 0.000 2.708 30 T HA -0.107 4.281 4.350 0.064 0.000 0.266 30 T C 1.723 176.450 174.700 0.045 0.000 1.037 30 T CA 1.124 63.268 62.100 0.072 0.000 1.146 30 T CB -0.154 68.814 68.868 0.166 0.000 0.865 30 T HN 0.135 nan 8.240 nan 0.000 0.435 31 I N 1.163 121.747 120.570 0.024 0.000 2.335 31 I HA -0.060 4.148 4.170 0.064 0.000 0.251 31 I C 1.972 178.063 176.117 -0.043 0.000 1.129 31 I CA 0.967 62.270 61.300 0.005 0.000 1.402 31 I CB -1.153 36.847 38.000 -0.000 0.000 1.069 31 I HN 0.267 nan 8.210 nan 0.000 0.424 32 L N 0.111 121.273 121.223 -0.102 0.000 2.599 32 L HA 0.164 4.542 4.340 0.064 0.000 0.230 32 L C 1.396 178.206 176.870 -0.100 0.000 1.141 32 L CA 0.537 55.283 54.840 -0.156 0.000 0.877 32 L CB -0.548 41.336 42.059 -0.290 0.000 1.009 32 L HN 0.456 nan 8.230 nan 0.000 0.447 33 G N 0.289 109.060 108.800 -0.048 0.000 2.198 33 G HA2 -0.295 3.703 3.960 0.064 0.000 0.257 33 G HA3 -0.295 3.703 3.960 0.064 0.000 0.257 33 G C 0.185 175.067 174.900 -0.030 0.000 1.042 33 G CA -0.026 45.062 45.100 -0.021 0.000 0.791 33 G HN 0.239 nan 8.290 nan 0.000 0.502 34 M N 0.756 120.330 119.600 -0.043 0.000 2.291 34 M HA 0.321 4.839 4.480 0.064 0.000 0.324 34 M C -1.503 174.816 176.300 0.032 0.000 1.148 34 M CA -1.837 53.427 55.300 -0.059 0.000 1.104 34 M CB 0.806 33.320 32.600 -0.144 0.000 1.483 34 M HN -0.024 nan 8.290 nan 0.000 0.467 35 P HA 0.118 nan 4.420 nan 0.000 0.235 35 P C -1.122 176.342 177.300 0.274 0.000 1.765 35 P CA 0.196 63.383 63.100 0.143 0.000 1.034 35 P CB -0.736 30.997 31.700 0.055 0.000 1.984 36 I N 3.981 124.692 120.570 0.234 0.000 2.312 36 I HA 0.338 4.546 4.170 0.064 0.000 0.290 36 I C -2.078 174.204 176.117 0.275 0.000 1.008 36 I CA -3.669 57.782 61.300 0.252 0.000 1.226 36 I CB 0.572 38.679 38.000 0.178 0.000 1.371 36 I HN -0.023 nan 8.210 nan 0.000 0.468 37 P HA 0.067 nan 4.420 nan 0.000 0.267 37 P C -0.215 177.245 177.300 0.265 0.000 1.200 37 P CA -0.235 62.965 63.100 0.168 0.000 0.772 37 P CB 0.512 32.232 31.700 0.033 0.000 0.855 38 Q N 1.112 120.999 119.800 0.146 0.000 2.354 38 Q HA 0.590 4.968 4.340 0.064 0.000 0.244 38 Q C 0.624 176.536 176.000 -0.148 0.000 0.969 38 Q CA 0.309 56.169 55.803 0.096 0.000 0.885 38 Q CB 1.148 29.851 28.738 -0.058 0.000 1.241 38 Q HN 0.728 nan 8.270 nan 0.000 0.461 39 G N 0.451 108.841 108.800 -0.684 0.000 2.428 39 G HA2 0.553 4.551 3.960 0.064 0.000 0.304 39 G HA3 0.553 4.551 3.960 0.064 0.000 0.304 39 G C -1.814 172.361 174.900 -1.209 0.000 1.303 39 G CA -0.735 43.812 45.100 -0.921 0.000 0.825 39 G HN 0.464 nan 8.290 nan 0.000 0.484 40 F N -1.808 117.742 119.950 -0.666 0.000 2.643 40 F HA 0.885 5.450 4.527 0.063 0.000 0.314 40 F C -0.479 175.370 175.800 0.082 0.000 1.096 40 F CA -1.231 56.606 58.000 -0.271 0.000 0.953 40 F CB 1.780 40.679 39.000 -0.169 0.000 1.345 40 F HN 0.456 nan 8.300 nan 0.000 0.468 41 T N 1.719 116.546 114.554 0.456 0.000 2.824 41 T HA 0.550 4.938 4.350 0.064 0.000 0.282 41 T C -0.952 173.984 174.700 0.392 0.000 0.993 41 T CA -0.624 61.701 62.100 0.376 0.000 0.967 41 T CB 1.690 70.766 68.868 0.347 0.000 0.960 41 T HN 0.573 nan 8.240 nan 0.000 0.441 42 V N 4.567 124.681 119.914 0.333 0.000 2.385 42 V HA 0.323 4.481 4.120 0.064 0.000 0.269 42 V C 1.263 177.548 176.094 0.317 0.000 1.043 42 V CA -0.809 61.694 62.300 0.338 0.000 0.906 42 V CB 0.735 32.730 31.823 0.288 0.000 0.995 42 V HN 1.118 nan 8.190 nan 0.000 0.467 43 T N 1.403 116.155 114.554 0.330 0.000 2.795 43 T HA 0.009 4.398 4.350 0.064 0.000 0.314 43 T C 1.587 176.388 174.700 0.168 0.000 1.069 43 T CA 0.345 62.583 62.100 0.230 0.000 1.071 43 T CB 0.861 69.864 68.868 0.224 0.000 0.988 43 T HN 0.892 nan 8.240 nan 0.000 0.543 44 T N -1.263 113.324 114.554 0.056 0.000 2.833 44 T HA -0.110 4.278 4.350 0.064 0.000 0.269 44 T C 1.575 176.256 174.700 -0.030 0.000 1.054 44 T CA 1.390 63.462 62.100 -0.046 0.000 1.135 44 T CB -0.610 68.196 68.868 -0.103 0.000 0.869 44 T HN 0.780 nan 8.240 nan 0.000 0.466 45 E N 1.377 121.630 120.200 0.088 0.000 2.153 45 E HA 0.046 4.435 4.350 0.064 0.000 0.194 45 E C 2.492 179.274 176.600 0.303 0.000 0.988 45 E CA 0.922 57.445 56.400 0.205 0.000 0.811 45 E CB -0.314 29.539 29.700 0.255 0.000 0.746 45 E HN 0.716 nan 8.360 nan 0.000 0.466 46 A N 0.323 123.318 122.820 0.292 0.000 2.119 46 A HA -0.145 4.213 4.320 0.064 0.000 0.217 46 A C 2.231 179.581 177.584 -0.391 0.000 1.153 46 A CA 0.780 52.794 52.037 -0.039 0.000 0.692 46 A CB -0.687 18.416 19.000 0.172 0.000 0.799 46 A HN 0.440 nan 8.150 nan 0.000 0.458 47 C N -1.247 117.718 119.300 -0.559 0.000 2.476 47 C HA -0.039 4.459 4.460 0.064 0.000 0.278 47 C C 2.937 177.755 174.990 -0.288 0.000 1.274 47 C CA 1.894 60.269 59.018 -1.073 0.000 1.713 47 C CB -1.222 26.038 27.740 -0.801 0.000 2.039 47 C HN 0.592 nan 8.230 nan 0.000 0.484 48 T N 0.391 114.876 114.554 -0.116 0.000 2.708 48 T HA -0.181 4.207 4.350 0.064 0.000 0.266 48 T C 1.647 176.376 174.700 0.049 0.000 1.037 48 T CA 2.014 64.141 62.100 0.045 0.000 1.146 48 T CB -0.430 68.467 68.868 0.048 0.000 0.865 48 T HN 0.665 nan 8.240 nan 0.000 0.435 49 E N 0.667 120.841 120.200 -0.043 0.000 2.085 49 E HA -0.181 4.207 4.350 0.064 0.000 0.194 49 E C 1.833 178.349 176.600 -0.140 0.000 0.994 49 E CA 1.332 57.653 56.400 -0.132 0.000 0.801 49 E CB -0.580 28.838 29.700 -0.469 0.000 0.743 49 E HN 0.704 nan 8.360 nan 0.000 0.453 50 Y N -0.685 119.429 120.300 -0.311 0.000 2.224 50 Y HA -0.261 4.327 4.550 0.063 0.000 0.289 50 Y C 1.625 177.347 175.900 -0.296 0.000 1.146 50 Y CA 1.890 59.820 58.100 -0.284 0.000 1.182 50 Y CB -0.367 37.906 38.460 -0.311 0.000 0.983 50 Y HN 0.116 nan 8.280 nan 0.000 0.524 51 Y N 0.473 120.728 120.300 -0.076 0.000 2.263 51 Y HA -0.137 4.452 4.550 0.064 0.000 0.292 51 Y C 1.948 177.779 175.900 -0.115 0.000 1.130 51 Y CA 1.532 59.570 58.100 -0.103 0.000 1.179 51 Y CB -0.356 38.123 38.460 0.031 0.000 0.998 51 Y HN 0.179 nan 8.280 nan 0.000 0.532 52 N N -0.901 117.816 118.700 0.028 0.000 2.521 52 N HA -0.036 4.742 4.740 0.064 0.000 0.188 52 N C 0.358 175.833 175.510 -0.059 0.000 1.146 52 N CA 0.656 53.708 53.050 0.004 0.000 0.893 52 N CB 0.069 38.572 38.487 0.027 0.000 0.975 52 N HN 0.068 nan 8.380 nan 0.000 0.451 53 S N -0.636 114.979 115.700 -0.141 0.000 2.624 53 S HA 0.328 4.837 4.470 0.064 0.000 0.246 53 S C 0.926 175.406 174.600 -0.200 0.000 1.072 53 S CA -0.236 57.874 58.200 -0.150 0.000 1.045 53 S CB 0.572 63.678 63.200 -0.157 0.000 0.851 53 S HN 0.426 nan 8.310 nan 0.000 0.480 54 G N 2.940 111.622 108.800 -0.197 0.000 2.246 54 G HA2 -0.304 3.694 3.960 0.064 0.000 0.273 54 G HA3 -0.304 3.694 3.960 0.064 0.000 0.273 54 G C 0.039 174.729 174.900 -0.350 0.000 1.055 54 G CA 0.077 45.057 45.100 -0.200 0.000 0.851 54 G HN 0.459 nan 8.290 nan 0.000 0.500 55 K N -1.589 118.415 120.400 -0.659 0.000 3.393 55 K HA -0.204 4.154 4.320 0.064 0.000 0.272 55 K C 0.306 176.290 176.600 -1.027 0.000 1.004 55 K CA 1.612 57.131 56.287 -1.280 0.000 0.764 55 K CB -0.952 31.151 32.500 -0.662 0.000 1.373 55 K HN 0.834 nan 8.250 nan 0.000 0.458 56 Q N 0.210 119.526 119.800 -0.806 0.000 2.379 56 Q HA 0.462 4.840 4.340 0.064 0.000 0.278 56 Q C -0.377 175.629 176.000 0.010 0.000 1.068 56 Q CA -1.156 54.523 55.803 -0.207 0.000 0.816 56 Q CB 1.866 30.522 28.738 -0.138 0.000 1.387 56 Q HN 0.085 nan 8.270 nan 0.000 0.413 57 I N 2.319 122.986 120.570 0.161 0.000 2.471 57 I HA 0.079 4.287 4.170 0.064 0.000 0.286 57 I C 1.100 177.199 176.117 -0.029 0.000 1.079 57 I CA 0.136 61.505 61.300 0.114 0.000 1.398 57 I CB 0.319 38.353 38.000 0.056 0.000 1.403 57 I HN 0.725 nan 8.210 nan 0.000 0.530 58 T N 3.232 117.720 114.554 -0.111 0.000 2.860 58 T HA 0.105 4.494 4.350 0.064 0.000 0.299 58 T C 1.053 175.685 174.700 -0.113 0.000 1.045 58 T CA -0.374 61.650 62.100 -0.127 0.000 1.071 58 T CB 1.055 69.812 68.868 -0.186 0.000 0.985 58 T HN 0.504 nan 8.240 nan 0.000 0.537 59 Q N 0.444 120.202 119.800 -0.069 0.000 2.096 59 Q HA -0.097 4.281 4.340 0.064 0.000 0.204 59 Q C 2.217 178.183 176.000 -0.056 0.000 0.982 59 Q CA 2.041 57.815 55.803 -0.048 0.000 0.850 59 Q CB -0.365 28.365 28.738 -0.014 0.000 0.901 59 Q HN 0.924 nan 8.270 nan 0.000 0.422 60 E N 0.038 120.218 120.200 -0.034 0.000 2.150 60 E HA -0.138 4.250 4.350 0.064 0.000 0.193 60 E C 1.732 178.332 176.600 -0.000 0.000 0.985 60 E CA 0.692 57.109 56.400 0.029 0.000 0.814 60 E CB 0.004 29.798 29.700 0.155 0.000 0.752 60 E HN 0.394 nan 8.360 nan 0.000 0.466 61 I N 0.661 121.128 120.570 -0.171 0.000 2.233 61 I HA -0.257 3.951 4.170 0.064 0.000 0.243 61 I C 2.791 178.799 176.117 -0.182 0.000 1.093 61 I CA 0.989 62.167 61.300 -0.205 0.000 1.380 61 I CB -0.345 37.427 38.000 -0.381 0.000 1.067 61 I HN 0.194 nan 8.210 nan 0.000 0.413 62 Q N 1.088 120.737 119.800 -0.252 0.000 2.061 62 Q HA -0.265 4.113 4.340 0.064 0.000 0.204 62 Q C 1.745 177.418 176.000 -0.545 0.000 0.984 62 Q CA 2.044 57.554 55.803 -0.488 0.000 0.846 62 Q CB 0.022 28.491 28.738 -0.449 0.000 0.902 62 Q HN 0.442 nan 8.270 nan 0.000 0.421 63 D N 0.208 120.464 120.400 -0.241 0.000 2.116 63 D HA -0.206 4.472 4.640 0.064 0.000 0.193 63 D C 1.851 178.100 176.300 -0.085 0.000 0.998 63 D CA 1.351 55.293 54.000 -0.097 0.000 0.836 63 D CB -0.206 40.587 40.800 -0.011 0.000 0.951 63 D HN 0.410 nan 8.370 nan 0.000 0.449 64 Q N -0.418 119.333 119.800 -0.081 0.000 2.224 64 Q HA -0.072 4.306 4.340 0.064 0.000 0.203 64 Q C 2.191 178.091 176.000 -0.167 0.000 0.970 64 Q CA 0.397 56.150 55.803 -0.083 0.000 0.865 64 Q CB 0.214 28.958 28.738 0.010 0.000 0.922 64 Q HN 0.266 nan 8.270 nan 0.000 0.445 65 I N -0.137 120.317 120.570 -0.192 0.000 2.133 65 I HA -0.233 3.975 4.170 0.064 0.000 0.238 65 I C 1.912 177.979 176.117 -0.082 0.000 1.074 65 I CA 1.448 62.648 61.300 -0.167 0.000 1.342 65 I CB -1.212 36.701 38.000 -0.145 0.000 1.053 65 I HN 0.175 nan 8.210 nan 0.000 0.404 66 F N 1.362 121.273 119.950 -0.065 0.000 2.202 66 F HA -0.180 4.385 4.527 0.064 0.000 0.301 66 F C 2.636 178.388 175.800 -0.079 0.000 1.082 66 F CA 1.047 59.024 58.000 -0.039 0.000 1.313 66 F CB -1.248 37.761 39.000 0.015 0.000 1.024 66 F HN 0.286 nan 8.300 nan 0.000 0.495 67 E N 0.108 120.346 120.200 0.063 0.000 2.047 67 E HA -0.150 4.238 4.350 0.064 0.000 0.191 67 E C 2.386 178.926 176.600 -0.101 0.000 0.987 67 E CA 1.026 57.417 56.400 -0.015 0.000 0.799 67 E CB -0.121 29.543 29.700 -0.059 0.000 0.752 67 E HN 0.247 nan 8.360 nan 0.000 0.449 68 A N 1.238 123.858 122.820 -0.332 0.000 1.933 68 A HA -0.148 4.211 4.320 0.064 0.000 0.218 68 A C 2.095 179.548 177.584 -0.218 0.000 1.175 68 A CA 0.959 52.661 52.037 -0.558 0.000 0.628 68 A CB -0.452 17.593 19.000 -1.592 0.000 0.814 68 A HN 0.310 nan 8.150 nan 0.000 0.444 69 I N 0.319 120.785 120.570 -0.172 0.000 2.335 69 I HA -0.179 4.029 4.170 0.064 0.000 0.251 69 I C 2.347 178.513 176.117 0.083 0.000 1.129 69 I CA 1.861 63.198 61.300 0.062 0.000 1.402 69 I CB -1.700 36.296 38.000 -0.006 0.000 1.069 69 I HN 0.254 nan 8.210 nan 0.000 0.424 70 T N -0.526 114.078 114.554 0.083 0.000 2.812 70 T HA -0.211 4.177 4.350 0.064 0.000 0.264 70 T C 1.516 176.289 174.700 0.122 0.000 1.042 70 T CA 1.179 63.331 62.100 0.088 0.000 1.140 70 T CB -0.356 68.558 68.868 0.077 0.000 0.870 70 T HN 0.549 nan 8.240 nan 0.000 0.445 71 W N 1.731 122.991 121.300 -0.066 0.000 2.338 71 W HA -0.065 4.633 4.660 0.064 0.000 0.304 71 W C 1.625 178.131 176.519 -0.022 0.000 1.212 71 W CA 0.841 58.153 57.345 -0.054 0.000 1.264 71 W CB -0.570 28.833 29.460 -0.095 0.000 1.142 71 W HN 0.162 nan 8.180 nan 0.000 0.512 72 L N 0.417 121.600 121.223 -0.066 0.000 2.005 72 L HA -0.203 4.176 4.340 0.064 0.000 0.207 72 L C 2.586 179.328 176.870 -0.213 0.000 1.072 72 L CA 2.009 56.662 54.840 -0.311 0.000 0.744 72 L CB -0.911 41.124 42.059 -0.041 0.000 0.895 72 L HN -0.010 nan 8.230 nan 0.000 0.433 73 E N -0.100 120.059 120.200 -0.068 0.000 2.086 73 E HA -0.297 4.091 4.350 0.064 0.000 0.200 73 E C 2.048 178.608 176.600 -0.067 0.000 1.012 73 E CA 1.911 58.293 56.400 -0.030 0.000 0.812 73 E CB -0.017 29.698 29.700 0.024 0.000 0.743 73 E HN 0.510 nan 8.360 nan 0.000 0.453 74 E N 0.388 120.535 120.200 -0.088 0.000 2.028 74 E HA -0.168 4.220 4.350 0.064 0.000 0.191 74 E C 2.324 178.839 176.600 -0.140 0.000 0.988 74 E CA 0.643 56.991 56.400 -0.087 0.000 0.799 74 E CB -0.135 29.530 29.700 -0.058 0.000 0.755 74 E HN 0.229 nan 8.360 nan 0.000 0.447 75 L N 1.407 122.467 121.223 -0.272 0.000 1.997 75 L HA -0.252 4.126 4.340 0.064 0.000 0.216 75 L C 2.088 178.852 176.870 -0.176 0.000 1.074 75 L CA 1.171 55.834 54.840 -0.295 0.000 0.763 75 L CB -0.362 41.374 42.059 -0.538 0.000 0.890 75 L HN 0.222 nan 8.230 nan 0.000 0.434 76 N N -0.431 118.172 118.700 -0.162 0.000 2.446 76 N HA -0.045 4.733 4.740 0.064 0.000 0.179 76 N C 1.305 176.790 175.510 -0.043 0.000 1.054 76 N CA 1.064 54.063 53.050 -0.085 0.000 0.905 76 N CB 0.316 38.761 38.487 -0.070 0.000 0.973 76 N HN 0.474 nan 8.380 nan 0.000 0.448 77 G N 1.208 109.981 108.800 -0.045 0.000 2.160 77 G HA2 -0.289 3.710 3.960 0.064 0.000 0.251 77 G HA3 -0.289 3.710 3.960 0.064 0.000 0.251 77 G C -0.121 174.774 174.900 -0.008 0.000 1.008 77 G CA 0.390 45.477 45.100 -0.022 0.000 0.724 77 G HN 0.332 nan 8.290 nan 0.000 0.514 78 K N -0.399 119.997 120.400 -0.006 0.000 2.468 78 K HA 0.442 4.800 4.320 0.064 0.000 0.252 78 K C -0.170 176.441 176.600 0.018 0.000 0.932 78 K CA -0.903 55.389 56.287 0.009 0.000 0.794 78 K CB 1.972 34.486 32.500 0.024 0.000 1.241 78 K HN 0.076 nan 8.250 nan 0.000 0.428 79 K N 2.016 122.424 120.400 0.013 0.000 2.297 79 K HA 0.139 4.497 4.320 0.064 0.000 0.286 79 K C -0.393 176.236 176.600 0.049 0.000 1.053 79 K CA -0.499 55.805 56.287 0.027 0.000 0.940 79 K CB 0.359 32.854 32.500 -0.009 0.000 1.019 79 K HN 0.422 nan 8.250 nan 0.000 0.475 80 F N 2.952 122.864 119.950 -0.062 0.000 2.474 80 F HA 0.006 4.571 4.527 0.064 0.000 0.375 80 F C 1.173 176.909 175.800 -0.106 0.000 1.090 80 F CA 1.104 59.059 58.000 -0.075 0.000 1.044 80 F CB -0.713 38.262 39.000 -0.043 0.000 1.018 80 F HN 0.888 nan 8.300 nan 0.000 0.560 81 G N 3.805 112.360 108.800 -0.408 0.000 2.184 81 G HA2 -0.342 3.656 3.960 0.064 0.000 0.264 81 G HA3 -0.342 3.656 3.960 0.064 0.000 0.264 81 G C 0.190 174.885 174.900 -0.342 0.000 0.975 81 G CA 0.165 44.943 45.100 -0.536 0.000 0.642 81 G HN 0.929 nan 8.290 nan 0.000 0.536 82 D N 0.087 120.353 120.400 -0.223 0.000 2.629 82 D HA 0.182 4.861 4.640 0.064 0.000 0.228 82 D C 1.580 177.792 176.300 -0.146 0.000 1.127 82 D CA 1.129 55.039 54.000 -0.150 0.000 0.855 82 D CB 0.674 41.422 40.800 -0.087 0.000 1.180 82 D HN 0.115 nan 8.370 nan 0.000 0.484 83 T N 2.017 116.497 114.554 -0.122 0.000 2.929 83 T HA -0.129 4.259 4.350 0.064 0.000 0.271 83 T C 1.189 175.842 174.700 -0.078 0.000 1.085 83 T CA 1.275 63.310 62.100 -0.108 0.000 1.125 83 T CB 0.087 68.905 68.868 -0.084 0.000 0.874 83 T HN 0.348 nan 8.240 nan 0.000 0.494 84 E N 0.652 120.816 120.200 -0.060 0.000 2.083 84 E HA 0.144 4.532 4.350 0.064 0.000 0.193 84 E C 0.494 177.084 176.600 -0.016 0.000 0.950 84 E CA 0.597 56.976 56.400 -0.035 0.000 0.849 84 E CB -0.167 29.517 29.700 -0.027 0.000 0.827 84 E HN 0.335 nan 8.360 nan 0.000 0.465 85 D N 1.518 121.912 120.400 -0.011 0.000 2.502 85 D HA 0.180 4.858 4.640 0.064 0.000 0.301 85 D C -2.622 173.683 176.300 0.008 0.000 1.202 85 D CA -2.365 51.649 54.000 0.022 0.000 0.878 85 D CB 0.850 41.662 40.800 0.020 0.000 1.062 85 D HN -0.123 nan 8.370 nan 0.000 0.499 86 P HA 0.105 nan 4.420 nan 0.000 0.271 86 P C -0.330 176.931 177.300 -0.066 0.000 1.216 86 P CA -0.660 62.377 63.100 -0.105 0.000 0.776 86 P CB 1.229 32.781 31.700 -0.246 0.000 0.881 87 L N 4.617 125.824 121.223 -0.028 0.000 2.292 87 L HA 0.370 4.749 4.340 0.064 0.000 0.284 87 L C -0.737 176.148 176.870 0.026 0.000 1.065 87 L CA -0.183 54.680 54.840 0.039 0.000 0.806 87 L CB 0.064 42.184 42.059 0.102 0.000 1.175 87 L HN 0.253 nan 8.230 nan 0.000 0.431 88 L N 5.897 127.115 121.223 -0.008 0.000 2.341 88 L HA 0.843 5.221 4.340 0.064 0.000 0.267 88 L C -0.558 176.281 176.870 -0.050 0.000 1.009 88 L CA -1.082 53.718 54.840 -0.066 0.000 0.819 88 L CB 1.974 43.922 42.059 -0.184 0.000 1.323 88 L HN 0.543 nan 8.230 nan 0.000 0.425 89 V N -1.642 118.233 119.914 -0.066 0.000 3.102 89 V HA 0.835 4.993 4.120 0.064 0.000 0.312 89 V C -0.256 175.767 176.094 -0.117 0.000 1.135 89 V CA -0.680 61.552 62.300 -0.112 0.000 1.022 89 V CB 1.846 33.587 31.823 -0.138 0.000 1.056 89 V HN 0.830 nan 8.190 nan 0.000 0.436 90 S N 0.482 116.112 115.700 -0.117 0.000 2.593 90 S HA 0.884 5.392 4.470 0.064 0.000 0.297 90 S C -0.675 173.890 174.600 -0.058 0.000 1.112 90 S CA -0.740 57.419 58.200 -0.068 0.000 1.043 90 S CB 1.642 64.799 63.200 -0.070 0.000 1.054 90 S HN 1.234 nan 8.310 nan 0.000 0.516 91 V N 2.413 122.322 119.914 -0.009 0.000 2.443 91 V HA 0.534 4.692 4.120 0.064 0.000 0.293 91 V C -0.382 175.710 176.094 -0.003 0.000 1.021 91 V CA -0.631 61.657 62.300 -0.019 0.000 0.848 91 V CB 1.055 32.882 31.823 0.008 0.000 0.998 91 V HN 0.901 nan 8.190 nan 0.000 0.424 92 R N 2.787 123.283 120.500 -0.007 0.000 2.451 92 R HA 0.537 4.915 4.340 0.064 0.000 0.307 92 R C -0.173 176.141 176.300 0.023 0.000 0.965 92 R CA -0.433 55.674 56.100 0.011 0.000 0.865 92 R CB 2.204 32.514 30.300 0.015 0.000 1.174 92 R HN 0.780 nan 8.270 nan 0.000 0.455 93 S N 0.900 116.620 115.700 0.033 0.000 2.565 93 S HA 0.689 5.197 4.470 0.064 0.000 0.274 93 S C 0.311 174.961 174.600 0.084 0.000 1.309 93 S CA -0.554 57.685 58.200 0.065 0.000 1.043 93 S CB 1.738 64.991 63.200 0.087 0.000 0.939 93 S HN 0.767 nan 8.310 nan 0.000 0.504 94 G N 0.500 109.358 108.800 0.096 0.000 2.734 94 G HA2 0.654 4.652 3.960 0.064 0.000 0.293 94 G HA3 0.654 4.652 3.960 0.064 0.000 0.293 94 G C -0.687 174.267 174.900 0.090 0.000 1.422 94 G CA -0.383 44.775 45.100 0.096 0.000 1.177 94 G HN 1.074 nan 8.290 nan 0.000 0.565 95 A N 2.247 125.144 122.820 0.129 0.000 2.248 95 A HA 0.766 5.124 4.320 0.064 0.000 0.316 95 A C 1.638 179.287 177.584 0.108 0.000 1.101 95 A CA -0.342 51.752 52.037 0.094 0.000 0.875 95 A CB 0.872 20.002 19.000 0.217 0.000 1.207 95 A HN 0.868 nan 8.150 nan 0.000 0.504 96 R N -0.427 120.119 120.500 0.078 0.000 2.117 96 R HA -0.109 4.269 4.340 0.064 0.000 0.243 96 R C 0.651 177.022 176.300 0.119 0.000 1.143 96 R CA 1.709 57.810 56.100 0.003 0.000 0.968 96 R CB -0.321 29.837 30.300 -0.237 0.000 0.863 96 R HN 0.783 nan 8.270 nan 0.000 0.444 97 A N 0.505 123.516 122.820 0.318 0.000 2.312 97 A HA 0.375 4.733 4.320 0.064 0.000 0.326 97 A C -0.610 177.134 177.584 0.267 0.000 1.172 97 A CA -0.403 51.840 52.037 0.345 0.000 0.821 97 A CB 1.501 20.809 19.000 0.515 0.000 1.166 97 A HN 0.284 nan 8.150 nan 0.000 0.493 98 S N 1.065 116.888 115.700 0.204 0.000 2.548 98 S HA 0.498 5.006 4.470 0.064 0.000 0.277 98 S C 0.002 174.724 174.600 0.203 0.000 1.315 98 S CA -0.037 58.263 58.200 0.166 0.000 1.050 98 S CB -0.184 63.090 63.200 0.125 0.000 0.918 98 S HN 0.554 nan 8.310 nan 0.000 0.497 99 M N 5.769 125.459 119.600 0.150 0.000 2.389 99 M HA 0.277 4.795 4.480 0.064 0.000 0.206 99 M C -2.651 173.642 176.300 -0.011 0.000 0.976 99 M CA -1.655 53.688 55.300 0.071 0.000 0.648 99 M CB 1.555 34.108 32.600 -0.077 0.000 1.474 99 M HN 0.306 nan 8.290 nan 0.000 0.398 100 P HA 0.155 nan 4.420 nan 0.000 0.262 100 P C 0.959 178.266 177.300 0.012 0.000 1.199 100 P CA 1.092 64.229 63.100 0.062 0.000 0.763 100 P CB 0.595 32.362 31.700 0.112 0.000 0.790 101 G N 3.088 111.906 108.800 0.030 0.000 2.195 101 G HA2 -0.256 3.742 3.960 0.064 0.000 0.246 101 G HA3 -0.256 3.742 3.960 0.064 0.000 0.246 101 G C 0.697 175.684 174.900 0.144 0.000 0.984 101 G CA -0.044 45.119 45.100 0.105 0.000 0.633 101 G HN 0.429 nan 8.290 nan 0.000 0.525 102 M N -0.231 119.333 119.600 -0.060 0.000 2.308 102 M HA 0.475 4.993 4.480 0.064 0.000 0.269 102 M C 1.079 177.335 176.300 -0.072 0.000 1.040 102 M CA 0.539 55.750 55.300 -0.148 0.000 1.024 102 M CB -0.212 32.070 32.600 -0.530 0.000 1.465 102 M HN 0.203 nan 8.290 nan 0.000 0.517 103 M N 0.039 119.630 119.600 -0.015 0.000 2.531 103 M HA 0.361 4.879 4.480 0.064 0.000 0.262 103 M C -0.264 176.052 176.300 0.026 0.000 1.168 103 M CA -0.211 55.105 55.300 0.027 0.000 0.926 103 M CB 0.345 32.977 32.600 0.054 0.000 1.445 103 M HN -0.100 nan 8.290 nan 0.000 0.531 104 D N 0.378 120.798 120.400 0.033 0.000 2.248 104 D HA 0.559 5.237 4.640 0.064 0.000 0.246 104 D C -0.905 175.405 176.300 0.017 0.000 1.027 104 D CA 0.032 54.042 54.000 0.016 0.000 0.853 104 D CB 1.947 42.750 40.800 0.005 0.000 1.243 104 D HN 0.378 nan 8.370 nan 0.000 0.462 105 T N 1.569 116.132 114.554 0.015 0.000 2.928 105 T HA 0.501 4.889 4.350 0.064 0.000 0.296 105 T C -0.556 174.169 174.700 0.042 0.000 1.000 105 T CA -0.419 61.695 62.100 0.023 0.000 0.989 105 T CB 0.923 69.802 68.868 0.019 0.000 1.005 105 T HN 0.109 nan 8.240 nan 0.000 0.442 106 I N 3.721 124.333 120.570 0.070 0.000 2.439 106 I HA 0.452 4.660 4.170 0.064 0.000 0.285 106 I C -0.447 175.761 176.117 0.152 0.000 1.021 106 I CA -0.407 60.986 61.300 0.155 0.000 1.091 106 I CB 1.440 39.584 38.000 0.240 0.000 1.242 106 I HN 0.426 nan 8.210 nan 0.000 0.439 107 L N 5.949 127.270 121.223 0.164 0.000 2.352 107 L HA 0.545 4.923 4.340 0.064 0.000 0.269 107 L C 0.352 177.278 176.870 0.093 0.000 1.034 107 L CA -0.893 53.995 54.840 0.079 0.000 0.806 107 L CB 0.821 42.908 42.059 0.046 0.000 1.244 107 L HN 0.676 nan 8.230 nan 0.000 0.447 108 N N 0.592 119.251 118.700 -0.069 0.000 2.747 108 N HA -0.208 4.570 4.740 0.064 0.000 0.249 108 N C -0.530 174.591 175.510 -0.648 0.000 1.107 108 N CA 0.614 53.547 53.050 -0.196 0.000 0.707 108 N CB -1.443 37.026 38.487 -0.031 0.000 1.054 108 N HN 0.494 nan 8.380 nan 0.000 0.555 109 L N -0.278 120.607 121.223 -0.564 0.000 2.410 109 L HA 0.460 4.838 4.340 0.064 0.000 0.273 109 L C 1.350 177.901 176.870 -0.531 0.000 1.152 109 L CA 1.183 55.467 54.840 -0.927 0.000 0.855 109 L CB 0.357 42.389 42.059 -0.046 0.000 1.129 109 L HN 0.406 nan 8.230 nan 0.000 0.463 110 G N 3.830 112.224 108.800 -0.676 0.000 2.551 110 G HA2 -0.163 3.835 3.960 0.064 0.000 0.186 110 G HA3 -0.163 3.835 3.960 0.064 0.000 0.186 110 G C -0.006 174.576 174.900 -0.531 0.000 1.002 110 G CA -0.294 44.506 45.100 -0.499 0.000 0.723 110 G HN 0.494 nan 8.290 nan 0.000 0.481 111 L N 1.729 122.581 121.223 -0.619 0.000 2.461 111 L HA 0.483 4.861 4.340 0.064 0.000 0.272 111 L C 0.714 177.332 176.870 -0.419 0.000 1.197 111 L CA 0.427 54.907 54.840 -0.601 0.000 0.836 111 L CB 0.789 42.467 42.059 -0.636 0.000 1.105 111 L HN 0.716 nan 8.230 nan 0.000 0.477 112 N N -1.217 117.108 118.700 -0.624 0.000 3.344 112 N HA 0.218 4.996 4.740 0.064 0.000 0.296 112 N C -0.359 174.917 175.510 -0.390 0.000 1.571 112 N CA -0.767 52.090 53.050 -0.322 0.000 0.844 112 N CB 0.374 38.781 38.487 -0.133 0.000 1.718 112 N HN 0.232 nan 8.380 nan 0.000 0.589 113 D N -0.683 119.702 120.400 -0.024 0.000 2.178 113 D HA -0.095 4.583 4.640 0.064 0.000 0.201 113 D C 1.685 177.958 176.300 -0.044 0.000 0.980 113 D CA 1.639 55.672 54.000 0.054 0.000 0.842 113 D CB -0.100 40.772 40.800 0.120 0.000 0.948 113 D HN 0.426 nan 8.370 nan 0.000 0.472 114 V N -1.735 118.121 119.914 -0.097 0.000 2.795 114 V HA 0.290 4.448 4.120 0.064 0.000 0.243 114 V C 2.175 178.174 176.094 -0.158 0.000 1.069 114 V CA 0.897 63.139 62.300 -0.096 0.000 1.089 114 V CB -0.482 31.299 31.823 -0.069 0.000 0.756 114 V HN 0.052 nan 8.190 nan 0.000 0.471 115 A N 0.428 123.107 122.820 -0.234 0.000 2.070 115 A HA -0.078 4.280 4.320 0.064 0.000 0.220 115 A C 2.401 179.800 177.584 -0.309 0.000 1.159 115 A CA 1.950 53.824 52.037 -0.271 0.000 0.656 115 A CB -0.730 18.062 19.000 -0.348 0.000 0.800 115 A HN 0.735 nan 8.150 nan 0.000 0.453 116 V N -0.482 119.181 119.914 -0.417 0.000 2.591 116 V HA -0.110 4.048 4.120 0.064 0.000 0.249 116 V C 2.167 178.105 176.094 -0.261 0.000 1.053 116 V CA 2.211 64.234 62.300 -0.462 0.000 1.068 116 V CB -0.428 30.917 31.823 -0.798 0.000 0.689 116 V HN 0.530 nan 8.190 nan 0.000 0.462 117 E N 0.715 120.821 120.200 -0.156 0.000 2.072 117 E HA -0.059 4.330 4.350 0.064 0.000 0.190 117 E C 2.184 178.763 176.600 -0.035 0.000 0.982 117 E CA 1.378 57.750 56.400 -0.047 0.000 0.803 117 E CB -0.848 28.853 29.700 0.002 0.000 0.755 117 E HN 0.669 nan 8.360 nan 0.000 0.453 118 G N 0.235 109.009 108.800 -0.043 0.000 2.443 118 G HA2 -0.238 3.760 3.960 0.064 0.000 0.219 118 G HA3 -0.238 3.760 3.960 0.064 0.000 0.219 118 G C 1.396 176.313 174.900 0.029 0.000 1.131 118 G CA 0.255 45.345 45.100 -0.018 0.000 0.775 118 G HN 0.179 nan 8.290 nan 0.000 0.547 119 F N 2.250 122.085 119.950 -0.191 0.000 2.128 119 F HA 0.241 4.806 4.527 0.064 0.000 0.295 119 F C 2.705 178.398 175.800 -0.178 0.000 1.100 119 F CA 0.770 58.641 58.000 -0.216 0.000 1.260 119 F CB -0.446 38.352 39.000 -0.336 0.000 1.009 119 F HN 0.198 nan 8.300 nan 0.000 0.476 120 A N 0.132 122.883 122.820 -0.115 0.000 1.972 120 A HA -0.144 4.214 4.320 0.064 0.000 0.219 120 A C 2.184 179.708 177.584 -0.100 0.000 1.169 120 A CA 1.431 53.379 52.037 -0.149 0.000 0.635 120 A CB -0.467 18.502 19.000 -0.051 0.000 0.810 120 A HN 0.226 nan 8.150 nan 0.000 0.446 121 K N 0.108 120.471 120.400 -0.061 0.000 2.007 121 K HA -0.010 4.348 4.320 0.064 0.000 0.206 121 K C 1.923 178.488 176.600 -0.058 0.000 1.047 121 K CA 1.119 57.380 56.287 -0.043 0.000 0.937 121 K CB -0.448 32.039 32.500 -0.022 0.000 0.718 121 K HN 0.327 nan 8.250 nan 0.000 0.438 122 K N 1.048 121.412 120.400 -0.060 0.000 2.209 122 K HA -0.066 4.292 4.320 0.064 0.000 0.204 122 K C 1.435 177.973 176.600 -0.103 0.000 1.048 122 K CA 1.633 57.886 56.287 -0.056 0.000 0.940 122 K CB 0.010 32.505 32.500 -0.009 0.000 0.729 122 K HN 0.400 nan 8.250 nan 0.000 0.451 123 T N -3.857 110.585 114.554 -0.187 0.000 3.086 123 T HA 0.168 4.556 4.350 0.064 0.000 0.250 123 T C 1.174 175.795 174.700 -0.130 0.000 1.074 123 T CA 0.546 62.528 62.100 -0.197 0.000 0.988 123 T CB 0.268 68.952 68.868 -0.305 0.000 0.988 123 T HN 0.245 nan 8.240 nan 0.000 0.530 124 G N 1.977 110.717 108.800 -0.100 0.000 2.258 124 G HA2 -0.282 3.716 3.960 0.064 0.000 0.274 124 G HA3 -0.282 3.716 3.960 0.064 0.000 0.274 124 G C 0.034 174.903 174.900 -0.052 0.000 1.021 124 G CA 0.256 45.318 45.100 -0.064 0.000 0.798 124 G HN 0.744 nan 8.290 nan 0.000 0.507 125 N N -0.249 118.420 118.700 -0.051 0.000 2.707 125 N HA 0.340 5.118 4.740 0.064 0.000 0.249 125 N C -0.908 174.624 175.510 0.036 0.000 1.299 125 N CA -1.610 51.442 53.050 0.003 0.000 0.769 125 N CB 1.501 39.994 38.487 0.010 0.000 1.236 125 N HN 0.041 nan 8.380 nan 0.000 0.524 126 P HA -0.171 nan 4.420 nan 0.000 0.218 126 P C 1.294 178.686 177.300 0.154 0.000 1.148 126 P CA 0.709 63.866 63.100 0.096 0.000 0.822 126 P CB 0.568 32.340 31.700 0.121 0.000 0.784 127 R N -0.146 120.431 120.500 0.129 0.000 2.096 127 R HA -0.154 4.224 4.340 0.064 0.000 0.235 127 R C 2.174 178.578 176.300 0.173 0.000 1.127 127 R CA 1.231 57.415 56.100 0.141 0.000 0.968 127 R CB -1.149 29.212 30.300 0.101 0.000 0.861 127 R HN 0.101 nan 8.270 nan 0.000 0.440 128 F N 1.380 121.317 119.950 -0.021 0.000 2.146 128 F HA 0.005 4.570 4.527 0.063 0.000 0.298 128 F C 2.083 177.859 175.800 -0.041 0.000 1.096 128 F CA 1.212 59.176 58.000 -0.059 0.000 1.275 128 F CB -0.630 38.268 39.000 -0.170 0.000 1.008 128 F HN 0.095 nan 8.300 nan 0.000 0.480 129 A N -0.559 122.025 122.820 -0.393 0.000 1.873 129 A HA -0.184 4.174 4.320 0.064 0.000 0.215 129 A C 2.028 179.436 177.584 -0.294 0.000 1.186 129 A CA 1.627 53.409 52.037 -0.424 0.000 0.616 129 A CB -1.556 17.255 19.000 -0.315 0.000 0.823 129 A HN 0.508 nan 8.150 nan 0.000 0.442 130 Y N -0.235 120.057 120.300 -0.013 0.000 2.457 130 Y HA -0.074 4.514 4.550 0.063 0.000 0.292 130 Y C 2.136 178.056 175.900 0.034 0.000 1.125 130 Y CA 1.108 59.239 58.100 0.051 0.000 1.254 130 Y CB -0.279 38.195 38.460 0.023 0.000 1.012 130 Y HN 0.535 nan 8.280 nan 0.000 0.555 131 D N -0.793 119.677 120.400 0.117 0.000 2.097 131 D HA -0.157 4.521 4.640 0.064 0.000 0.195 131 D C 2.082 178.451 176.300 0.114 0.000 0.989 131 D CA 1.876 55.945 54.000 0.116 0.000 0.827 131 D CB 0.029 40.919 40.800 0.151 0.000 0.966 131 D HN 0.105 nan 8.370 nan 0.000 0.456 132 S N -0.915 114.821 115.700 0.060 0.000 2.368 132 S HA -0.159 4.349 4.470 0.064 0.000 0.225 132 S C 1.726 176.429 174.600 0.172 0.000 1.030 132 S CA 0.758 59.019 58.200 0.101 0.000 0.999 132 S CB -0.606 62.592 63.200 -0.003 0.000 0.844 132 S HN 0.387 nan 8.310 nan 0.000 0.459 133 Y N 3.604 123.867 120.300 -0.063 0.000 2.224 133 Y HA -0.151 4.438 4.550 0.064 0.000 0.289 133 Y C 2.227 178.151 175.900 0.040 0.000 1.146 133 Y CA 1.558 59.637 58.100 -0.035 0.000 1.182 133 Y CB -0.531 37.829 38.460 -0.167 0.000 0.983 133 Y HN 0.258 nan 8.280 nan 0.000 0.524 134 R N -0.233 120.304 120.500 0.061 0.000 2.235 134 R HA 0.021 4.399 4.340 0.064 0.000 0.213 134 R C 1.989 178.409 176.300 0.199 0.000 1.059 134 R CA 1.158 57.243 56.100 -0.025 0.000 0.997 134 R CB -0.641 29.517 30.300 -0.236 0.000 0.884 134 R HN 0.157 nan 8.270 nan 0.000 0.462 135 R N -0.515 120.100 120.500 0.191 0.000 2.075 135 R HA 0.047 4.425 4.340 0.064 0.000 0.226 135 R C 1.760 178.176 176.300 0.193 0.000 1.114 135 R CA 1.299 57.514 56.100 0.192 0.000 0.972 135 R CB -0.429 29.983 30.300 0.187 0.000 0.869 135 R HN 0.223 nan 8.270 nan 0.000 0.437 136 F N 1.924 121.919 119.950 0.075 0.000 2.134 136 F HA -0.177 4.388 4.527 0.064 0.000 0.299 136 F C 1.845 177.688 175.800 0.072 0.000 1.097 136 F CA 1.207 59.268 58.000 0.102 0.000 1.264 136 F CB -0.145 38.937 39.000 0.138 0.000 1.001 136 F HN -0.131 nan 8.300 nan 0.000 0.479 137 I N 0.479 120.888 120.570 -0.269 0.000 2.163 137 I HA -0.338 3.870 4.170 0.064 0.000 0.243 137 I C 2.443 178.335 176.117 -0.375 0.000 1.085 137 I CA 1.889 62.835 61.300 -0.589 0.000 1.347 137 I CB -1.661 36.031 38.000 -0.514 0.000 1.044 137 I HN 0.344 nan 8.210 nan 0.000 0.408 138 Q N 0.980 120.496 119.800 -0.474 0.000 2.020 138 Q HA -0.198 4.180 4.340 0.064 0.000 0.202 138 Q C 2.408 178.094 176.000 -0.523 0.000 0.982 138 Q CA 1.782 56.986 55.803 -0.999 0.000 0.838 138 Q CB -0.035 28.173 28.738 -0.884 0.000 0.899 138 Q HN 0.426 nan 8.270 nan 0.000 0.423 139 M N -0.808 118.668 119.600 -0.207 0.000 2.159 139 M HA -0.172 4.346 4.480 0.064 0.000 0.263 139 M C 1.961 178.241 176.300 -0.034 0.000 1.063 139 M CA 1.414 56.670 55.300 -0.073 0.000 1.110 139 M CB -0.364 32.266 32.600 0.050 0.000 1.374 139 M HN 0.309 nan 8.290 nan 0.000 0.411 140 Y N 0.822 121.023 120.300 -0.164 0.000 2.220 140 Y HA -0.153 4.436 4.550 0.064 0.000 0.291 140 Y C 2.549 178.434 175.900 -0.025 0.000 1.129 140 Y CA 1.720 59.734 58.100 -0.143 0.000 1.161 140 Y CB -0.222 37.998 38.460 -0.400 0.000 0.997 140 Y HN 0.104 nan 8.280 nan 0.000 0.522 141 S N -0.059 115.796 115.700 0.259 0.000 2.382 141 S HA -0.213 4.295 4.470 0.064 0.000 0.228 141 S C 1.573 176.240 174.600 0.111 0.000 1.027 141 S CA 1.561 59.966 58.200 0.340 0.000 0.991 141 S CB -0.523 62.938 63.200 0.435 0.000 0.823 141 S HN 0.692 nan 8.310 nan 0.000 0.469 142 D N 1.138 121.531 120.400 -0.010 0.000 2.077 142 D HA -0.089 4.589 4.640 0.064 0.000 0.197 142 D C 1.908 178.172 176.300 -0.059 0.000 0.983 142 D CA 1.392 55.373 54.000 -0.031 0.000 0.841 142 D CB -0.389 40.367 40.800 -0.074 0.000 0.992 142 D HN 0.131 nan 8.370 nan 0.000 0.450 143 V N 0.056 119.914 119.914 -0.093 0.000 2.233 143 V HA -0.212 3.947 4.120 0.064 0.000 0.247 143 V C 2.663 178.653 176.094 -0.173 0.000 1.050 143 V CA 1.661 63.891 62.300 -0.117 0.000 1.010 143 V CB -0.527 31.228 31.823 -0.113 0.000 0.637 143 V HN 0.207 nan 8.190 nan 0.000 0.444 144 V N -1.112 118.606 119.914 -0.326 0.000 2.453 144 V HA -0.130 4.028 4.120 0.064 0.000 0.247 144 V C 1.465 177.455 176.094 -0.173 0.000 1.048 144 V CA 1.382 63.461 62.300 -0.368 0.000 1.049 144 V CB -0.399 30.919 31.823 -0.842 0.000 0.672 144 V HN 0.336 nan 8.190 nan 0.000 0.457 145 M N -0.946 118.592 119.600 -0.102 0.000 2.323 145 M HA 0.410 4.928 4.480 0.064 0.000 0.217 145 M C 0.593 176.869 176.300 -0.040 0.000 0.710 145 M CA -0.017 55.255 55.300 -0.047 0.000 1.815 145 M CB -0.110 32.473 32.600 -0.028 0.000 1.133 145 M HN -0.011 nan 8.290 nan 0.000 0.892 146 E N -0.018 120.166 120.200 -0.026 0.000 2.933 146 E HA 0.229 4.617 4.350 0.064 0.000 0.175 146 E C -1.231 175.347 176.600 -0.037 0.000 0.932 146 E CA -0.081 56.300 56.400 -0.031 0.000 1.340 146 E CB 0.836 30.515 29.700 -0.035 0.000 1.025 146 E HN 0.268 nan 8.360 nan 0.000 0.461 147 V N 4.141 124.057 119.914 0.003 0.000 2.583 147 V HA -0.009 4.149 4.120 0.064 0.000 0.302 147 V C -1.881 174.173 176.094 -0.066 0.000 1.033 147 V CA -0.481 61.804 62.300 -0.026 0.000 1.194 147 V CB -0.472 31.464 31.823 0.189 0.000 0.879 147 V HN 0.214 nan 8.190 nan 0.000 0.482 148 P HA 0.093 nan 4.420 nan 0.000 0.266 148 P C 0.595 177.827 177.300 -0.114 0.000 1.215 148 P CA -0.154 62.802 63.100 -0.240 0.000 0.763 148 P CB 0.673 32.168 31.700 -0.343 0.000 0.806 149 K N 1.924 122.340 120.400 0.028 0.000 2.207 149 K HA -0.252 4.106 4.320 0.064 0.000 0.208 149 K C 2.193 178.868 176.600 0.125 0.000 1.046 149 K CA 2.149 58.514 56.287 0.131 0.000 0.929 149 K CB -0.551 31.974 32.500 0.042 0.000 0.720 149 K HN 0.477 nan 8.250 nan 0.000 0.463 150 S N 0.731 116.444 115.700 0.020 0.000 2.378 150 S HA -0.272 4.236 4.470 0.064 0.000 0.229 150 S C 1.688 176.333 174.600 0.075 0.000 1.052 150 S CA 1.713 59.939 58.200 0.043 0.000 1.084 150 S CB -0.461 62.760 63.200 0.036 0.000 0.950 150 S HN 0.502 nan 8.310 nan 0.000 0.440 151 H N -1.281 117.683 119.070 -0.175 0.000 2.489 151 H HA -0.054 4.540 4.556 0.064 0.000 0.295 151 H C 1.623 176.658 175.328 -0.488 0.000 1.082 151 H CA 1.498 57.324 56.048 -0.369 0.000 1.295 151 H CB -0.154 29.263 29.762 -0.576 0.000 1.380 151 H HN 0.508 nan 8.280 nan 0.000 0.548 152 F N 0.625 120.537 119.950 -0.063 0.000 2.317 152 F HA 0.013 4.578 4.527 0.063 0.000 0.290 152 F C 2.327 178.123 175.800 -0.007 0.000 1.075 152 F CA 0.344 58.182 58.000 -0.270 0.000 1.380 152 F CB -0.135 38.449 39.000 -0.693 0.000 1.093 152 F HN 0.022 nan 8.300 nan 0.000 0.524 153 E N 0.831 121.146 120.200 0.192 0.000 2.118 153 E HA -0.217 4.171 4.350 0.064 0.000 0.195 153 E C 1.958 178.646 176.600 0.147 0.000 0.992 153 E CA 1.208 57.713 56.400 0.174 0.000 0.804 153 E CB -0.249 29.524 29.700 0.123 0.000 0.741 153 E HN 0.435 nan 8.360 nan 0.000 0.458 154 K N 0.474 120.937 120.400 0.105 0.000 2.032 154 K HA -0.148 4.210 4.320 0.064 0.000 0.209 154 K C 2.164 178.821 176.600 0.095 0.000 1.048 154 K CA 1.131 57.462 56.287 0.073 0.000 0.927 154 K CB -0.075 32.444 32.500 0.032 0.000 0.712 154 K HN 0.090 nan 8.250 nan 0.000 0.441 155 I N 1.207 121.860 120.570 0.139 0.000 2.226 155 I HA -0.246 3.962 4.170 0.064 0.000 0.245 155 I C 2.387 178.630 176.117 0.209 0.000 1.100 155 I CA 1.358 62.772 61.300 0.190 0.000 1.374 155 I CB -0.805 37.395 38.000 0.334 0.000 1.057 155 I HN 0.214 nan 8.210 nan 0.000 0.413 156 I N 0.743 121.486 120.570 0.289 0.000 2.394 156 I HA -0.290 3.918 4.170 0.064 0.000 0.251 156 I C 1.921 178.118 176.117 0.132 0.000 1.136 156 I CA 1.401 62.830 61.300 0.215 0.000 1.425 156 I CB -0.075 38.098 38.000 0.288 0.000 1.079 156 I HN 0.158 nan 8.210 nan 0.000 0.425 157 D N 0.714 121.187 120.400 0.121 0.000 2.144 157 D HA -0.110 4.569 4.640 0.064 0.000 0.200 157 D C 2.183 178.517 176.300 0.057 0.000 0.978 157 D CA 1.258 55.305 54.000 0.079 0.000 0.833 157 D CB 0.005 40.845 40.800 0.067 0.000 0.961 157 D HN 0.382 nan 8.370 nan 0.000 0.470 158 A N 0.711 123.566 122.820 0.058 0.000 1.834 158 A HA -0.225 4.133 4.320 0.064 0.000 0.216 158 A C 2.197 179.801 177.584 0.034 0.000 1.203 158 A CA 1.835 53.896 52.037 0.039 0.000 0.621 158 A CB -0.910 18.112 19.000 0.037 0.000 0.841 158 A HN 0.268 nan 8.150 nan 0.000 0.446 159 M N -0.758 118.864 119.600 0.038 0.000 2.143 159 M HA -0.248 4.270 4.480 0.064 0.000 0.258 159 M C 1.955 178.270 176.300 0.026 0.000 1.071 159 M CA 2.150 57.464 55.300 0.023 0.000 1.088 159 M CB -0.214 32.393 32.600 0.012 0.000 1.360 159 M HN 0.394 nan 8.290 nan 0.000 0.404 160 K N -0.135 120.289 120.400 0.041 0.000 2.116 160 K HA -0.084 4.274 4.320 0.064 0.000 0.203 160 K C 0.638 177.262 176.600 0.040 0.000 1.052 160 K CA 1.012 57.327 56.287 0.045 0.000 0.952 160 K CB -0.007 32.529 32.500 0.060 0.000 0.729 160 K HN 0.506 nan 8.250 nan 0.000 0.446 161 E N 0.680 120.900 120.200 0.033 0.000 2.351 161 E HA -0.044 4.344 4.350 0.064 0.000 0.236 161 E C 0.621 177.233 176.600 0.020 0.000 1.341 161 E CA 0.041 56.457 56.400 0.026 0.000 1.579 161 E CB 0.330 30.041 29.700 0.017 0.000 1.393 161 E HN 0.325 nan 8.360 nan 0.000 0.438 162 E N 0.174 120.385 120.200 0.018 0.000 3.297 162 E HA 0.007 4.396 4.350 0.064 0.000 0.232 162 E C 1.223 177.826 176.600 0.006 0.000 1.143 162 E CA -0.097 56.309 56.400 0.010 0.000 1.741 162 E CB 0.032 29.735 29.700 0.006 0.000 1.925 162 E HN -0.062 nan 8.360 nan 0.000 0.924 163 K N 0.888 121.292 120.400 0.005 0.000 2.589 163 K HA 0.113 4.471 4.320 0.064 0.000 0.192 163 K C 0.411 177.008 176.600 -0.004 0.000 1.029 163 K CA 0.781 57.066 56.287 -0.002 0.000 1.031 163 K CB -0.090 32.408 32.500 -0.002 0.000 0.821 163 K HN 0.354 nan 8.250 nan 0.000 0.502 164 G N 0.843 109.648 108.800 0.007 0.000 2.372 164 G HA2 -0.224 3.774 3.960 0.064 0.000 0.297 164 G HA3 -0.224 3.774 3.960 0.064 0.000 0.297 164 G C -0.340 174.550 174.900 -0.017 0.000 1.005 164 G CA 0.321 45.427 45.100 0.010 0.000 1.173 164 G HN 0.152 nan 8.290 nan 0.000 0.511 165 V N -0.244 119.685 119.914 0.024 0.000 2.919 165 V HA 0.538 4.696 4.120 0.064 0.000 0.316 165 V C 1.015 177.193 176.094 0.140 0.000 1.077 165 V CA -0.668 61.637 62.300 0.009 0.000 0.977 165 V CB 1.994 33.835 31.823 0.030 0.000 1.039 165 V HN 0.555 nan 8.190 nan 0.000 0.441 166 H N 1.284 120.317 119.070 -0.062 0.000 2.729 166 H HA 0.351 4.945 4.556 0.064 0.000 0.263 166 H C -0.694 174.401 175.328 -0.388 0.000 0.961 166 H CA 0.233 56.147 56.048 -0.225 0.000 1.217 166 H CB 0.873 30.489 29.762 -0.243 0.000 1.447 166 H HN 0.406 nan 8.280 nan 0.000 0.496 167 F N -0.213 119.818 119.950 0.136 0.000 2.626 167 F HA 0.138 4.703 4.527 0.063 0.000 0.311 167 F C 0.465 176.305 175.800 0.067 0.000 1.088 167 F CA -1.267 56.785 58.000 0.087 0.000 0.949 167 F CB 1.752 40.796 39.000 0.073 0.000 1.322 167 F HN -0.202 nan 8.300 nan 0.000 0.461 168 D N -0.366 120.240 120.400 0.343 0.000 2.182 168 D HA -0.150 4.528 4.640 0.064 0.000 0.201 168 D C 2.246 178.637 176.300 0.151 0.000 0.986 168 D CA 2.028 56.147 54.000 0.197 0.000 0.847 168 D CB -0.304 40.600 40.800 0.172 0.000 0.942 168 D HN 0.647 nan 8.370 nan 0.000 0.467 169 T N -0.727 113.918 114.554 0.151 0.000 2.929 169 T HA -0.144 4.245 4.350 0.064 0.000 0.271 169 T C 0.719 175.477 174.700 0.096 0.000 1.085 169 T CA 0.844 62.999 62.100 0.091 0.000 1.125 169 T CB -0.078 68.808 68.868 0.031 0.000 0.874 169 T HN -0.095 nan 8.240 nan 0.000 0.494 170 D N 1.461 121.937 120.400 0.127 0.000 2.881 170 D HA 0.298 4.976 4.640 0.064 0.000 0.240 170 D C -0.322 176.014 176.300 0.059 0.000 1.249 170 D CA 0.025 54.077 54.000 0.085 0.000 0.839 170 D CB 0.065 40.917 40.800 0.086 0.000 1.042 170 D HN 0.472 nan 8.370 nan 0.000 0.475 171 L N 0.328 121.586 121.223 0.058 0.000 2.341 171 L HA 0.267 4.645 4.340 0.064 0.000 0.278 171 L C 0.643 177.531 176.870 0.029 0.000 1.005 171 L CA -0.537 54.325 54.840 0.037 0.000 0.818 171 L CB 2.221 44.303 42.059 0.039 0.000 1.259 171 L HN -0.202 nan 8.230 nan 0.000 0.418 172 T N 1.420 115.980 114.554 0.010 0.000 2.900 172 T HA 0.087 4.475 4.350 0.064 0.000 0.307 172 T C 1.247 175.947 174.700 0.000 0.000 1.065 172 T CA 0.243 62.345 62.100 0.003 0.000 1.105 172 T CB 1.620 70.479 68.868 -0.015 0.000 0.979 172 T HN 0.772 nan 8.240 nan 0.000 0.544 173 A N 2.181 125.009 122.820 0.013 0.000 1.978 173 A HA -0.128 4.230 4.320 0.064 0.000 0.220 173 A C 2.025 179.563 177.584 -0.078 0.000 1.170 173 A CA 1.502 53.554 52.037 0.026 0.000 0.636 173 A CB -0.429 18.607 19.000 0.060 0.000 0.810 173 A HN 0.834 nan 8.150 nan 0.000 0.448 174 D N 0.330 120.680 120.400 -0.084 0.000 2.117 174 D HA -0.124 4.554 4.640 0.064 0.000 0.198 174 D C 1.270 177.485 176.300 -0.142 0.000 0.982 174 D CA 1.387 55.309 54.000 -0.130 0.000 0.828 174 D CB -0.361 40.389 40.800 -0.084 0.000 0.967 174 D HN 0.444 nan 8.370 nan 0.000 0.464 175 D N 0.693 121.037 120.400 -0.093 0.000 2.097 175 D HA -0.096 4.582 4.640 0.064 0.000 0.195 175 D C 2.439 178.667 176.300 -0.121 0.000 0.989 175 D CA 0.462 54.409 54.000 -0.088 0.000 0.827 175 D CB -0.286 40.485 40.800 -0.048 0.000 0.966 175 D HN 0.254 nan 8.370 nan 0.000 0.456 176 L N 0.527 121.693 121.223 -0.096 0.000 2.093 176 L HA -0.125 4.253 4.340 0.064 0.000 0.208 176 L C 2.547 179.325 176.870 -0.152 0.000 1.085 176 L CA 0.924 55.716 54.840 -0.081 0.000 0.755 176 L CB -0.308 41.785 42.059 0.055 0.000 0.904 176 L HN -0.044 nan 8.230 nan 0.000 0.435 177 K N 0.254 120.438 120.400 -0.360 0.000 2.057 177 K HA -0.235 4.123 4.320 0.064 0.000 0.207 177 K C 2.109 178.490 176.600 -0.365 0.000 1.049 177 K CA 1.507 57.331 56.287 -0.772 0.000 0.931 177 K CB 0.046 31.998 32.500 -0.914 0.000 0.714 177 K HN 0.245 nan 8.250 nan 0.000 0.440 178 E N 0.266 120.312 120.200 -0.257 0.000 2.047 178 E HA -0.206 4.182 4.350 0.064 0.000 0.191 178 E C 2.018 178.510 176.600 -0.180 0.000 0.987 178 E CA 0.912 57.207 56.400 -0.175 0.000 0.799 178 E CB -0.027 29.594 29.700 -0.131 0.000 0.752 178 E HN 0.144 nan 8.360 nan 0.000 0.449 179 L N 1.017 122.099 121.223 -0.236 0.000 2.042 179 L HA -0.172 4.206 4.340 0.064 0.000 0.210 179 L C 2.264 178.832 176.870 -0.503 0.000 1.076 179 L CA 2.237 56.844 54.840 -0.389 0.000 0.749 179 L CB -0.795 40.969 42.059 -0.492 0.000 0.893 179 L HN 0.183 nan 8.230 nan 0.000 0.432 180 A N -1.221 121.372 122.820 -0.379 0.000 1.940 180 A HA -0.276 4.082 4.320 0.064 0.000 0.219 180 A C 2.315 179.767 177.584 -0.220 0.000 1.176 180 A CA 1.956 53.784 52.037 -0.349 0.000 0.631 180 A CB -0.653 18.211 19.000 -0.227 0.000 0.814 180 A HN 0.597 nan 8.150 nan 0.000 0.446 181 E N -0.435 119.682 120.200 -0.138 0.000 2.106 181 E HA -0.146 4.242 4.350 0.064 0.000 0.192 181 E C 2.011 178.613 176.600 0.003 0.000 0.984 181 E CA 1.074 57.440 56.400 -0.057 0.000 0.806 181 E CB -0.040 29.633 29.700 -0.045 0.000 0.750 181 E HN 0.595 nan 8.360 nan 0.000 0.458 182 K N -0.193 120.208 120.400 0.001 0.000 2.057 182 K HA -0.132 4.226 4.320 0.064 0.000 0.207 182 K C 1.936 178.707 176.600 0.285 0.000 1.049 182 K CA 0.987 57.335 56.287 0.101 0.000 0.931 182 K CB -0.124 32.427 32.500 0.085 0.000 0.714 182 K HN 0.106 nan 8.250 nan 0.000 0.440 183 F N 1.790 121.772 119.950 0.054 0.000 2.146 183 F HA -0.114 4.452 4.527 0.064 0.000 0.298 183 F C 2.116 178.010 175.800 0.157 0.000 1.096 183 F CA 1.108 59.218 58.000 0.184 0.000 1.275 183 F CB -0.576 38.477 39.000 0.088 0.000 1.008 183 F HN -0.073 nan 8.300 nan 0.000 0.480 184 K N -0.145 120.365 120.400 0.183 0.000 2.097 184 K HA -0.104 4.255 4.320 0.064 0.000 0.206 184 K C 2.209 178.940 176.600 0.220 0.000 1.049 184 K CA 1.104 57.460 56.287 0.114 0.000 0.933 184 K CB -0.353 32.137 32.500 -0.016 0.000 0.717 184 K HN 0.166 nan 8.250 nan 0.000 0.442 185 A N 0.557 123.479 122.820 0.169 0.000 2.019 185 A HA -0.111 4.247 4.320 0.064 0.000 0.219 185 A C 2.205 179.873 177.584 0.140 0.000 1.164 185 A CA 1.282 53.400 52.037 0.135 0.000 0.644 185 A CB -0.408 18.645 19.000 0.087 0.000 0.805 185 A HN 0.076 nan 8.150 nan 0.000 0.449 186 V N -1.602 118.411 119.914 0.165 0.000 2.255 186 V HA -0.243 3.915 4.120 0.064 0.000 0.243 186 V C 2.309 178.518 176.094 0.192 0.000 1.038 186 V CA 1.895 64.246 62.300 0.086 0.000 1.008 186 V CB -1.109 30.646 31.823 -0.114 0.000 0.645 186 V HN 0.711 nan 8.190 nan 0.000 0.449 187 Y N 1.180 121.617 120.300 0.228 0.000 2.241 187 Y HA -0.292 4.296 4.550 0.064 0.000 0.286 187 Y C 2.537 178.541 175.900 0.174 0.000 1.166 187 Y CA 2.336 60.593 58.100 0.262 0.000 1.203 187 Y CB -0.133 38.574 38.460 0.411 0.000 0.977 187 Y HN 0.176 nan 8.280 nan 0.000 0.529 188 K N 0.300 120.905 120.400 0.341 0.000 2.021 188 K HA -0.168 4.190 4.320 0.064 0.000 0.205 188 K C 1.502 178.144 176.600 0.071 0.000 1.047 188 K CA 1.187 57.599 56.287 0.207 0.000 0.943 188 K CB -0.229 32.399 32.500 0.213 0.000 0.725 188 K HN 0.140 nan 8.250 nan 0.000 0.439 189 E N 0.096 120.338 120.200 0.069 0.000 2.413 189 E HA -0.070 4.319 4.350 0.064 0.000 0.204 189 E C -0.412 176.185 176.600 -0.006 0.000 1.275 189 E CA 0.454 56.866 56.400 0.020 0.000 1.090 189 E CB -0.142 29.563 29.700 0.009 0.000 1.145 189 E HN 0.370 nan 8.360 nan 0.000 0.472 190 A N 0.065 122.870 122.820 -0.024 0.000 2.431 190 A HA 0.197 4.555 4.320 0.064 0.000 0.221 190 A C 0.160 177.679 177.584 -0.107 0.000 1.291 190 A CA -0.388 51.621 52.037 -0.046 0.000 1.135 190 A CB 0.337 19.326 19.000 -0.018 0.000 1.095 190 A HN 0.200 nan 8.150 nan 0.000 0.461 191 M N 0.812 120.340 119.600 -0.120 0.000 3.200 191 M HA 0.309 4.828 4.480 0.064 0.000 0.335 191 M C 0.053 176.316 176.300 -0.061 0.000 1.446 191 M CA -0.147 55.059 55.300 -0.156 0.000 0.691 191 M CB -0.966 31.427 32.600 -0.345 0.000 1.409 191 M HN 0.489 nan 8.290 nan 0.000 0.488 192 N N 1.297 119.976 118.700 -0.034 0.000 2.710 192 N HA -0.249 4.530 4.740 0.064 0.000 0.249 192 N C 1.017 176.532 175.510 0.008 0.000 1.059 192 N CA 0.605 53.649 53.050 -0.010 0.000 0.720 192 N CB -0.488 37.995 38.487 -0.007 0.000 0.983 192 N HN 0.923 nan 8.380 nan 0.000 0.544 193 G N -0.003 108.806 108.800 0.014 0.000 2.212 193 G HA2 -0.394 3.604 3.960 0.064 0.000 0.266 193 G HA3 -0.394 3.604 3.960 0.064 0.000 0.266 193 G C -0.079 174.862 174.900 0.067 0.000 0.978 193 G CA 0.685 45.808 45.100 0.039 0.000 0.632 193 G HN 0.698 nan 8.290 nan 0.000 0.537 194 E N 1.427 121.666 120.200 0.065 0.000 2.413 194 E HA 0.358 4.746 4.350 0.064 0.000 0.263 194 E C 0.834 177.567 176.600 0.222 0.000 1.015 194 E CA 0.321 56.790 56.400 0.116 0.000 0.916 194 E CB 0.197 29.958 29.700 0.102 0.000 0.947 194 E HN 0.670 nan 8.360 nan 0.000 0.440 195 E N 3.754 124.093 120.200 0.230 0.000 2.283 195 E HA 0.147 4.535 4.350 0.064 0.000 0.267 195 E C -0.705 176.070 176.600 0.292 0.000 1.045 195 E CA -0.809 55.759 56.400 0.280 0.000 0.884 195 E CB 0.612 30.416 29.700 0.173 0.000 1.106 195 E HN 0.429 nan 8.360 nan 0.000 0.408 196 F N 3.427 123.366 119.950 -0.018 0.000 2.612 196 F HA 0.082 4.647 4.527 0.064 0.000 0.389 196 F C -1.744 173.867 175.800 -0.314 0.000 1.055 196 F CA -1.758 55.898 58.000 -0.574 0.000 1.232 196 F CB 0.472 39.151 39.000 -0.535 0.000 1.044 196 F HN 0.367 nan 8.300 nan 0.000 0.560 197 P HA -0.100 nan 4.420 nan 0.000 0.258 197 P C -0.523 176.708 177.300 -0.114 0.000 1.187 197 P CA 0.248 63.139 63.100 -0.348 0.000 0.767 197 P CB 0.799 32.213 31.700 -0.477 0.000 0.770 198 Q N 0.897 120.697 119.800 0.001 0.000 2.424 198 Q HA 0.046 4.424 4.340 0.064 0.000 0.204 198 Q C 0.317 176.300 176.000 -0.028 0.000 0.933 198 Q CA 0.827 56.656 55.803 0.044 0.000 0.929 198 Q CB 0.440 29.204 28.738 0.043 0.000 1.037 198 Q HN 0.564 nan 8.270 nan 0.000 0.511 199 E N 1.993 122.162 120.200 -0.052 0.000 2.167 199 E HA 0.092 4.480 4.350 0.064 0.000 0.284 199 E C -1.636 174.888 176.600 -0.127 0.000 1.016 199 E CA -2.054 54.291 56.400 -0.091 0.000 0.817 199 E CB 1.252 30.916 29.700 -0.060 0.000 1.080 199 E HN -0.016 nan 8.360 nan 0.000 0.397 200 P HA -0.195 nan 4.420 nan 0.000 0.216 200 P C 0.881 178.147 177.300 -0.056 0.000 1.150 200 P CA 1.357 64.182 63.100 -0.458 0.000 0.843 200 P CB 0.478 31.416 31.700 -1.270 0.000 0.787 201 K N -0.658 119.736 120.400 -0.010 0.000 2.155 201 K HA -0.095 4.263 4.320 0.064 0.000 0.203 201 K C 1.755 178.497 176.600 0.236 0.000 1.052 201 K CA 1.291 57.673 56.287 0.159 0.000 0.948 201 K CB -0.317 32.040 32.500 -0.239 0.000 0.728 201 K HN 0.071 nan 8.250 nan 0.000 0.448 202 D N 0.958 121.434 120.400 0.127 0.000 2.178 202 D HA -0.130 4.548 4.640 0.064 0.000 0.202 202 D C 1.882 178.285 176.300 0.173 0.000 0.974 202 D CA 1.080 55.163 54.000 0.138 0.000 0.841 202 D CB -0.015 40.821 40.800 0.059 0.000 0.953 202 D HN 0.254 nan 8.370 nan 0.000 0.478 203 Q N -0.189 119.707 119.800 0.161 0.000 2.079 203 Q HA -0.108 4.270 4.340 0.064 0.000 0.200 203 Q C 2.170 178.415 176.000 0.408 0.000 0.974 203 Q CA 0.665 56.623 55.803 0.258 0.000 0.840 203 Q CB -0.105 28.791 28.738 0.262 0.000 0.898 203 Q HN 0.201 nan 8.270 nan 0.000 0.430 204 L N 0.038 121.499 121.223 0.396 0.000 2.027 204 L HA -0.131 4.247 4.340 0.064 0.000 0.206 204 L C 2.071 179.084 176.870 0.238 0.000 1.074 204 L CA 1.635 56.679 54.840 0.341 0.000 0.745 204 L CB -0.281 42.005 42.059 0.379 0.000 0.898 204 L HN 0.197 nan 8.230 nan 0.000 0.433 205 M N -0.441 119.317 119.600 0.265 0.000 2.175 205 M HA -0.014 4.504 4.480 0.064 0.000 0.264 205 M C 2.279 178.631 176.300 0.088 0.000 1.063 205 M CA 1.409 56.797 55.300 0.148 0.000 1.119 205 M CB -2.136 30.571 32.600 0.179 0.000 1.377 205 M HN 0.415 nan 8.290 nan 0.000 0.415 206 G N -0.130 108.763 108.800 0.155 0.000 2.422 206 G HA2 -0.082 3.916 3.960 0.064 0.000 0.218 206 G HA3 -0.082 3.916 3.960 0.064 0.000 0.218 206 G C 1.663 176.551 174.900 -0.019 0.000 1.146 206 G CA 1.199 46.366 45.100 0.112 0.000 0.769 206 G HN 0.537 nan 8.290 nan 0.000 0.547 207 A N 0.077 122.917 122.820 0.033 0.000 1.873 207 A HA 0.135 4.493 4.320 0.064 0.000 0.215 207 A C 2.605 180.097 177.584 -0.152 0.000 1.186 207 A CA 1.668 53.665 52.037 -0.067 0.000 0.616 207 A CB -0.652 18.395 19.000 0.078 0.000 0.823 207 A HN 0.229 nan 8.150 nan 0.000 0.442 208 V N 0.450 120.263 119.914 -0.169 0.000 2.287 208 V HA -0.308 3.850 4.120 0.064 0.000 0.248 208 V C 2.422 178.133 176.094 -0.639 0.000 1.053 208 V CA 2.498 64.562 62.300 -0.392 0.000 1.027 208 V CB -0.701 30.932 31.823 -0.316 0.000 0.646 208 V HN 0.582 nan 8.190 nan 0.000 0.447 209 K N 0.176 120.337 120.400 -0.399 0.000 2.211 209 K HA -0.034 4.324 4.320 0.064 0.000 0.203 209 K C 2.172 178.606 176.600 -0.277 0.000 1.050 209 K CA 1.227 57.292 56.287 -0.370 0.000 0.945 209 K CB -0.320 32.133 32.500 -0.077 0.000 0.732 209 K HN 0.495 nan 8.250 nan 0.000 0.451 210 A N 0.982 123.675 122.820 -0.211 0.000 1.929 210 A HA -0.061 4.297 4.320 0.064 0.000 0.216 210 A C 2.330 179.857 177.584 -0.094 0.000 1.176 210 A CA 0.909 52.869 52.037 -0.128 0.000 0.628 210 A CB -0.440 18.466 19.000 -0.157 0.000 0.816 210 A HN 0.036 nan 8.150 nan 0.000 0.444 211 V N -0.417 119.397 119.914 -0.167 0.000 2.223 211 V HA -0.243 3.916 4.120 0.064 0.000 0.244 211 V C 2.350 178.518 176.094 0.125 0.000 1.045 211 V CA 2.212 64.475 62.300 -0.062 0.000 1.000 211 V CB -1.025 30.698 31.823 -0.167 0.000 0.635 211 V HN 0.540 nan 8.190 nan 0.000 0.445 212 F N 0.332 120.209 119.950 -0.121 0.000 2.063 212 F HA -0.204 4.361 4.527 0.064 0.000 0.298 212 F C 2.601 178.466 175.800 0.109 0.000 1.109 212 F CA 1.620 59.542 58.000 -0.129 0.000 1.212 212 F CB -1.317 37.167 39.000 -0.860 0.000 0.973 212 F HN 0.053 nan 8.300 nan 0.000 0.480 213 R N 0.378 120.977 120.500 0.165 0.000 2.113 213 R HA -0.180 4.198 4.340 0.064 0.000 0.244 213 R C 2.301 178.787 176.300 0.309 0.000 1.142 213 R CA 1.910 58.182 56.100 0.286 0.000 0.953 213 R CB -0.789 29.608 30.300 0.161 0.000 0.860 213 R HN 0.239 nan 8.270 nan 0.000 0.438 214 S N -0.039 115.795 115.700 0.222 0.000 2.442 214 S HA -0.153 4.355 4.470 0.064 0.000 0.236 214 S C 1.202 175.930 174.600 0.213 0.000 1.007 214 S CA 0.763 59.069 58.200 0.177 0.000 0.965 214 S CB -0.335 62.932 63.200 0.113 0.000 0.773 214 S HN 0.535 nan 8.310 nan 0.000 0.504 215 W N 2.095 123.503 121.300 0.180 0.000 2.424 215 W HA -0.110 4.589 4.660 0.064 0.000 0.264 215 W C 0.257 176.840 176.519 0.107 0.000 1.229 215 W CA 1.075 58.511 57.345 0.151 0.000 1.208 215 W CB -0.119 29.460 29.460 0.198 0.000 1.127 215 W HN 0.267 nan 8.180 nan 0.000 0.588 216 D N -0.275 120.193 120.400 0.113 0.000 2.462 216 D HA 0.080 4.759 4.640 0.064 0.000 0.221 216 D C -0.315 175.996 176.300 0.017 0.000 1.173 216 D CA -0.086 53.930 54.000 0.027 0.000 0.831 216 D CB -0.051 40.881 40.800 0.220 0.000 1.001 216 D HN -0.022 nan 8.370 nan 0.000 0.499 217 N N 0.733 119.432 118.700 -0.002 0.000 2.492 217 N HA 0.012 4.790 4.740 0.064 0.000 0.260 217 N C -1.712 173.777 175.510 -0.034 0.000 1.215 217 N CA -1.179 51.871 53.050 -0.001 0.000 0.923 217 N CB 1.170 39.654 38.487 -0.006 0.000 1.092 217 N HN -0.046 nan 8.380 nan 0.000 0.448 218 P HA -0.208 nan 4.420 nan 0.000 0.217 218 P C 1.000 178.285 177.300 -0.024 0.000 1.148 218 P CA 1.447 64.539 63.100 -0.014 0.000 0.828 218 P CB 0.130 31.832 31.700 0.003 0.000 0.783 219 R N -0.538 119.949 120.500 -0.021 0.000 2.115 219 R HA 0.087 4.465 4.340 0.064 0.000 0.226 219 R C 2.085 178.373 176.300 -0.020 0.000 1.100 219 R CA 1.442 57.537 56.100 -0.009 0.000 0.980 219 R CB -1.350 28.948 30.300 -0.002 0.000 0.875 219 R HN 0.013 nan 8.270 nan 0.000 0.445 220 A N 1.993 124.759 122.820 -0.090 0.000 1.929 220 A HA 0.006 4.364 4.320 0.064 0.000 0.216 220 A C 2.183 179.653 177.584 -0.191 0.000 1.176 220 A CA 0.898 52.825 52.037 -0.182 0.000 0.628 220 A CB -0.263 18.534 19.000 -0.339 0.000 0.816 220 A HN 0.221 nan 8.150 nan 0.000 0.444 221 I N -0.303 120.161 120.570 -0.176 0.000 2.076 221 I HA -0.192 4.017 4.170 0.064 0.000 0.237 221 I C 2.515 178.576 176.117 -0.094 0.000 1.059 221 I CA 1.221 62.430 61.300 -0.152 0.000 1.317 221 I CB -1.592 36.355 38.000 -0.088 0.000 1.037 221 I HN 0.140 nan 8.210 nan 0.000 0.398 222 V N 0.384 120.263 119.914 -0.059 0.000 2.324 222 V HA -0.339 3.819 4.120 0.064 0.000 0.250 222 V C 2.493 178.536 176.094 -0.085 0.000 1.060 222 V CA 2.108 64.361 62.300 -0.078 0.000 1.042 222 V CB -0.718 31.077 31.823 -0.048 0.000 0.650 222 V HN 0.425 nan 8.190 nan 0.000 0.450 223 Y N 1.068 121.288 120.300 -0.134 0.000 2.163 223 Y HA -0.201 4.388 4.550 0.064 0.000 0.288 223 Y C 2.647 178.471 175.900 -0.126 0.000 1.136 223 Y CA 1.802 59.836 58.100 -0.111 0.000 1.147 223 Y CB -0.242 38.173 38.460 -0.076 0.000 0.987 223 Y HN 0.124 nan 8.280 nan 0.000 0.509 224 R N -0.072 120.452 120.500 0.040 0.000 2.152 224 R HA -0.178 4.200 4.340 0.064 0.000 0.232 224 R C 2.413 178.614 176.300 -0.164 0.000 1.117 224 R CA 1.530 57.597 56.100 -0.056 0.000 0.981 224 R CB -0.314 29.916 30.300 -0.117 0.000 0.870 224 R HN 0.386 nan 8.270 nan 0.000 0.451 225 R N 0.715 121.102 120.500 -0.189 0.000 2.093 225 R HA 0.008 4.386 4.340 0.064 0.000 0.224 225 R C 1.927 178.071 176.300 -0.259 0.000 1.101 225 R CA 0.963 56.934 56.100 -0.215 0.000 0.979 225 R CB -0.012 30.134 30.300 -0.256 0.000 0.877 225 R HN 0.101 nan 8.270 nan 0.000 0.441 226 M N 0.517 119.924 119.600 -0.323 0.000 2.460 226 M HA -0.035 4.483 4.480 0.064 0.000 0.263 226 M C 0.711 176.838 176.300 -0.287 0.000 1.071 226 M CA 1.192 56.286 55.300 -0.344 0.000 1.096 226 M CB 0.257 32.599 32.600 -0.431 0.000 1.408 226 M HN 0.191 nan 8.290 nan 0.000 0.463 227 N N -0.383 118.130 118.700 -0.312 0.000 2.170 227 N HA 0.032 4.810 4.740 0.064 0.000 0.222 227 N C -0.898 174.534 175.510 -0.130 0.000 1.218 227 N CA 0.169 53.081 53.050 -0.229 0.000 0.889 227 N CB 0.733 39.026 38.487 -0.324 0.000 1.083 227 N HN 0.230 nan 8.380 nan 0.000 0.520 228 D N 1.557 121.871 120.400 -0.144 0.000 2.697 228 D HA -0.159 4.519 4.640 0.064 0.000 0.238 228 D C -0.378 175.814 176.300 -0.180 0.000 1.152 228 D CA 0.737 54.659 54.000 -0.130 0.000 0.666 228 D CB -1.069 39.684 40.800 -0.077 0.000 1.037 228 D HN 0.300 nan 8.370 nan 0.000 0.423 229 I N -0.035 120.405 120.570 -0.218 0.000 2.339 229 I HA 0.290 4.498 4.170 0.064 0.000 0.290 229 I C -2.119 173.708 176.117 -0.483 0.000 0.994 229 I CA -2.096 58.991 61.300 -0.356 0.000 1.191 229 I CB 0.992 38.945 38.000 -0.079 0.000 1.343 229 I HN -0.329 nan 8.210 nan 0.000 0.458 230 P HA 0.162 nan 4.420 nan 0.000 0.275 230 P C 1.099 178.193 177.300 -0.345 0.000 1.227 230 P CA -0.020 62.685 63.100 -0.658 0.000 0.781 230 P CB 1.009 32.172 31.700 -0.895 0.000 0.906 231 G N 2.595 111.345 108.800 -0.083 0.000 2.443 231 G HA2 -0.201 3.797 3.960 0.064 0.000 0.219 231 G HA3 -0.201 3.797 3.960 0.064 0.000 0.219 231 G C 0.887 175.997 174.900 0.351 0.000 1.131 231 G CA 0.421 45.611 45.100 0.150 0.000 0.775 231 G HN 0.581 nan 8.290 nan 0.000 0.547 232 D N -0.545 119.965 120.400 0.184 0.000 2.363 232 D HA -0.072 4.606 4.640 0.064 0.000 0.226 232 D C 1.477 177.962 176.300 0.307 0.000 1.020 232 D CA -0.119 54.004 54.000 0.205 0.000 0.892 232 D CB -0.400 40.499 40.800 0.165 0.000 0.900 232 D HN 0.362 nan 8.370 nan 0.000 0.531 233 W N 1.876 123.232 121.300 0.093 0.000 2.436 233 W HA 0.264 4.963 4.660 0.065 0.000 0.284 233 W C 1.756 178.077 176.519 -0.331 0.000 1.225 233 W CA 1.133 58.452 57.345 -0.044 0.000 1.271 233 W CB -0.831 28.660 29.460 0.052 0.000 1.114 233 W HN 0.291 nan 8.180 nan 0.000 0.559 234 G N -0.382 108.090 108.800 -0.546 0.000 2.741 234 G HA2 -0.114 3.885 3.960 0.064 0.000 0.222 234 G HA3 -0.114 3.885 3.960 0.064 0.000 0.222 234 G C -0.462 173.603 174.900 -1.392 0.000 1.364 234 G CA -0.048 44.316 45.100 -1.228 0.000 0.866 234 G HN 0.244 nan 8.290 nan 0.000 0.555 235 T N -1.161 112.917 114.554 -0.794 0.000 2.916 235 T HA 0.851 5.239 4.350 0.064 0.000 0.305 235 T C 0.210 174.906 174.700 -0.006 0.000 1.119 235 T CA 0.980 62.885 62.100 -0.325 0.000 1.008 235 T CB 1.233 70.067 68.868 -0.057 0.000 1.129 235 T HN 2.285 nan 8.240 nan 0.000 0.480 236 A N 2.361 125.217 122.820 0.061 0.000 2.256 236 A HA 0.855 5.213 4.320 0.064 0.000 0.318 236 A C -0.771 176.910 177.584 0.162 0.000 1.103 236 A CA -0.581 51.546 52.037 0.151 0.000 0.860 236 A CB 1.049 20.110 19.000 0.102 0.000 1.182 236 A HN 0.831 nan 8.150 nan 0.000 0.501 237 V N 2.167 122.174 119.914 0.155 0.000 2.444 237 V HA 0.311 4.470 4.120 0.064 0.000 0.294 237 V C -0.634 175.498 176.094 0.064 0.000 1.022 237 V CA -1.011 61.323 62.300 0.056 0.000 0.850 237 V CB 1.364 33.148 31.823 -0.066 0.000 0.992 237 V HN 0.823 nan 8.190 nan 0.000 0.426 238 N N 3.171 121.898 118.700 0.045 0.000 2.426 238 N HA 0.525 5.303 4.740 0.064 0.000 0.275 238 N C -0.954 174.515 175.510 -0.069 0.000 1.019 238 N CA -0.253 52.835 53.050 0.063 0.000 0.941 238 N CB 2.589 41.143 38.487 0.111 0.000 1.123 238 N HN 0.425 nan 8.380 nan 0.000 0.486 239 V N 2.378 122.114 119.914 -0.297 0.000 2.378 239 V HA 0.329 4.487 4.120 0.064 0.000 0.288 239 V C -0.060 175.744 176.094 -0.483 0.000 1.016 239 V CA -0.627 61.351 62.300 -0.536 0.000 0.840 239 V CB 1.576 32.721 31.823 -1.131 0.000 0.994 239 V HN 0.621 nan 8.190 nan 0.000 0.431 240 Q N 2.203 121.872 119.800 -0.219 0.000 2.372 240 Q HA 0.467 4.845 4.340 0.064 0.000 0.273 240 Q C -0.310 175.614 176.000 -0.126 0.000 1.078 240 Q CA -0.517 55.226 55.803 -0.100 0.000 0.806 240 Q CB 2.313 31.122 28.738 0.117 0.000 1.332 240 Q HN 0.746 nan 8.270 nan 0.000 0.435 241 T N 3.277 117.764 114.554 -0.112 0.000 2.928 241 T HA 0.125 4.513 4.350 0.064 0.000 0.305 241 T C 0.391 174.994 174.700 -0.163 0.000 1.035 241 T CA -0.290 61.740 62.100 -0.117 0.000 1.145 241 T CB 0.152 68.960 68.868 -0.099 0.000 0.963 241 T HN 0.495 nan 8.240 nan 0.000 0.545 242 M N 4.922 124.384 119.600 -0.229 0.000 2.238 242 M HA 0.285 4.803 4.480 0.064 0.000 0.347 242 M C -0.091 175.860 176.300 -0.582 0.000 1.173 242 M CA -0.291 54.720 55.300 -0.481 0.000 1.147 242 M CB 0.680 32.829 32.600 -0.752 0.000 1.547 242 M HN 0.558 nan 8.290 nan 0.000 0.455 243 V N 1.333 120.849 119.914 -0.663 0.000 2.656 243 V HA 0.670 4.828 4.120 0.064 0.000 0.307 243 V C -1.149 174.669 176.094 -0.460 0.000 1.051 243 V CA -0.949 61.049 62.300 -0.504 0.000 0.893 243 V CB 1.701 33.169 31.823 -0.591 0.000 0.999 243 V HN 0.583 nan 8.190 nan 0.000 0.426 244 F N 2.193 122.161 119.950 0.030 0.000 2.444 244 F HA 0.765 5.330 4.527 0.064 0.000 0.342 244 F C 1.151 176.982 175.800 0.052 0.000 1.121 244 F CA -0.571 57.497 58.000 0.114 0.000 0.997 244 F CB 2.216 41.403 39.000 0.311 0.000 1.130 244 F HN 0.712 nan 8.300 nan 0.000 0.454 245 G N 1.369 110.290 108.800 0.202 0.000 3.434 245 G HA2 -0.024 3.974 3.960 0.064 0.000 0.258 245 G HA3 -0.024 3.974 3.960 0.064 0.000 0.258 245 G C 0.524 175.487 174.900 0.104 0.000 1.128 245 G CA -0.166 44.996 45.100 0.103 0.000 0.792 245 G HN 0.593 nan 8.290 nan 0.000 0.539 246 N N -0.490 118.322 118.700 0.186 0.000 2.197 246 N HA 0.086 4.864 4.740 0.064 0.000 0.228 246 N C 1.095 176.648 175.510 0.073 0.000 1.212 246 N CA -0.341 52.816 53.050 0.179 0.000 0.883 246 N CB 0.178 38.840 38.487 0.291 0.000 1.107 246 N HN 0.106 nan 8.380 nan 0.000 0.519 247 K N 0.066 120.329 120.400 -0.228 0.000 2.362 247 K HA 0.102 4.460 4.320 0.064 0.000 0.200 247 K C 0.498 176.874 176.600 -0.374 0.000 1.046 247 K CA 0.916 56.708 56.287 -0.824 0.000 0.952 247 K CB 0.077 32.087 32.500 -0.816 0.000 0.753 247 K HN 0.446 nan 8.250 nan 0.000 0.466 248 G N -0.624 108.080 108.800 -0.159 0.000 2.368 248 G HA2 -0.082 3.916 3.960 0.064 0.000 0.269 248 G HA3 -0.082 3.916 3.960 0.064 0.000 0.269 248 G C -0.654 174.220 174.900 -0.043 0.000 1.291 248 G CA -0.650 44.394 45.100 -0.092 0.000 0.903 248 G HN -0.072 nan 8.290 nan 0.000 0.483 249 E N 0.222 120.402 120.200 -0.033 0.000 2.347 249 E HA -0.016 4.372 4.350 0.064 0.000 0.196 249 E C 2.186 178.784 176.600 -0.004 0.000 1.008 249 E CA 1.683 58.075 56.400 -0.013 0.000 0.852 249 E CB -0.178 29.516 29.700 -0.011 0.000 0.783 249 E HN 0.620 nan 8.360 nan 0.000 0.505 250 T N -2.262 112.284 114.554 -0.014 0.000 3.223 250 T HA 0.324 4.713 4.350 0.064 0.000 0.259 250 T C 0.527 175.231 174.700 0.007 0.000 1.015 250 T CA -0.432 61.667 62.100 -0.002 0.000 0.908 250 T CB 0.276 69.140 68.868 -0.007 0.000 1.054 250 T HN -0.236 nan 8.240 nan 0.000 0.567 251 S N 0.002 115.705 115.700 0.004 0.000 2.536 251 S HA 0.882 5.390 4.470 0.064 0.000 0.298 251 S C 0.106 174.725 174.600 0.032 0.000 1.083 251 S CA -0.658 57.554 58.200 0.020 0.000 0.995 251 S CB 1.881 65.076 63.200 -0.007 0.000 1.058 251 S HN 0.788 nan 8.310 nan 0.000 0.488 252 G N 0.118 108.937 108.800 0.031 0.000 2.550 252 G HA2 0.631 4.629 3.960 0.064 0.000 0.293 252 G HA3 0.631 4.629 3.960 0.064 0.000 0.293 252 G C -1.542 173.303 174.900 -0.093 0.000 1.402 252 G CA -0.423 44.684 45.100 0.011 0.000 0.784 252 G HN 0.697 nan 8.290 nan 0.000 0.482 253 T N -1.678 112.771 114.554 -0.175 0.000 2.923 253 T HA 0.790 5.178 4.350 0.064 0.000 0.311 253 T C -0.200 174.164 174.700 -0.561 0.000 1.183 253 T CA 0.505 62.352 62.100 -0.421 0.000 1.020 253 T CB 1.547 70.273 68.868 -0.236 0.000 1.165 253 T HN 1.820 nan 8.240 nan 0.000 0.482 254 G N 0.995 109.126 108.800 -1.116 0.000 2.682 254 G HA2 0.646 4.644 3.960 0.064 0.000 0.290 254 G HA3 0.646 4.644 3.960 0.064 0.000 0.290 254 G C -1.913 172.762 174.900 -0.374 0.000 1.425 254 G CA -0.491 44.205 45.100 -0.673 0.000 0.807 254 G HN 0.814 nan 8.290 nan 0.000 0.482 255 V N 0.373 120.284 119.914 -0.006 0.000 2.482 255 V HA 0.766 4.925 4.120 0.064 0.000 0.295 255 V C 0.143 176.312 176.094 0.125 0.000 1.026 255 V CA -0.300 62.016 62.300 0.027 0.000 0.856 255 V CB 0.929 32.733 31.823 -0.032 0.000 1.001 255 V HN 1.339 nan 8.190 nan 0.000 0.424 256 A N 4.575 127.484 122.820 0.149 0.000 2.423 256 A HA 0.984 5.343 4.320 0.064 0.000 0.304 256 A C -1.483 176.151 177.584 0.083 0.000 1.104 256 A CA -0.467 51.722 52.037 0.253 0.000 0.757 256 A CB 1.507 20.822 19.000 0.524 0.000 1.313 256 A HN 0.584 nan 8.150 nan 0.000 0.423 257 F N 0.394 120.542 119.950 0.330 0.000 2.493 257 F HA 0.358 4.923 4.527 0.063 0.000 0.329 257 F C 1.734 177.652 175.800 0.197 0.000 1.126 257 F CA 0.109 58.255 58.000 0.243 0.000 0.937 257 F CB 2.428 41.579 39.000 0.252 0.000 1.146 257 F HN 0.665 nan 8.300 nan 0.000 0.442 258 T N -0.320 114.407 114.554 0.288 0.000 3.098 258 T HA 0.160 4.548 4.350 0.064 0.000 0.266 258 T C 0.557 175.350 174.700 0.154 0.000 1.145 258 T CA 0.621 62.820 62.100 0.166 0.000 1.092 258 T CB -0.265 68.665 68.868 0.103 0.000 0.908 258 T HN 0.553 nan 8.240 nan 0.000 0.526 259 R N 0.161 120.764 120.500 0.172 0.000 2.692 259 R HA 0.333 4.711 4.340 0.064 0.000 0.269 259 R C -1.376 174.896 176.300 -0.046 0.000 1.030 259 R CA -0.983 55.165 56.100 0.080 0.000 0.882 259 R CB 0.601 30.926 30.300 0.042 0.000 1.250 259 R HN 0.000 nan 8.270 nan 0.000 0.465 260 N N 3.772 122.386 118.700 -0.143 0.000 2.427 260 N HA 0.018 4.796 4.740 0.064 0.000 0.269 260 N C -1.619 173.573 175.510 -0.530 0.000 1.235 260 N CA -1.075 51.687 53.050 -0.480 0.000 0.934 260 N CB 0.889 39.217 38.487 -0.265 0.000 1.121 260 N HN 0.338 nan 8.380 nan 0.000 0.480 261 P HA 0.021 nan 4.420 nan 0.000 0.237 261 P C 0.517 177.561 177.300 -0.427 0.000 1.178 261 P CA 0.527 63.248 63.100 -0.630 0.000 0.766 261 P CB 0.576 31.659 31.700 -1.028 0.000 0.876 262 S N -0.449 115.002 115.700 -0.415 0.000 2.460 262 S HA -0.026 4.483 4.470 0.064 0.000 0.226 262 S C 1.945 176.459 174.600 -0.143 0.000 1.057 262 S CA 1.574 59.644 58.200 -0.217 0.000 0.948 262 S CB -0.585 62.526 63.200 -0.148 0.000 0.822 262 S HN 0.385 nan 8.310 nan 0.000 0.512 263 T N -2.028 112.438 114.554 -0.146 0.000 3.034 263 T HA 0.424 4.812 4.350 0.064 0.000 0.248 263 T C 1.618 176.273 174.700 -0.076 0.000 1.040 263 T CA 1.170 63.220 62.100 -0.082 0.000 1.107 263 T CB 0.206 69.044 68.868 -0.049 0.000 0.932 263 T HN 0.562 nan 8.240 nan 0.000 0.474 264 G N 1.415 110.150 108.800 -0.109 0.000 2.217 264 G HA2 -0.263 3.735 3.960 0.064 0.000 0.246 264 G HA3 -0.263 3.735 3.960 0.064 0.000 0.246 264 G C -0.085 174.792 174.900 -0.038 0.000 0.990 264 G CA 0.224 45.282 45.100 -0.071 0.000 0.627 264 G HN 0.903 nan 8.290 nan 0.000 0.522 265 E N 1.479 121.660 120.200 -0.032 0.000 2.585 265 E HA 0.200 4.588 4.350 0.064 0.000 0.252 265 E C 0.790 177.403 176.600 0.021 0.000 0.981 265 E CA -0.152 56.250 56.400 0.004 0.000 0.943 265 E CB 0.245 29.956 29.700 0.019 0.000 0.923 265 E HN 0.362 nan 8.360 nan 0.000 0.486 266 K N 2.982 123.402 120.400 0.033 0.000 2.527 266 K HA 0.164 4.522 4.320 0.064 0.000 0.278 266 K C -0.096 176.546 176.600 0.069 0.000 0.981 266 K CA 1.158 57.473 56.287 0.048 0.000 1.009 266 K CB 0.257 32.784 32.500 0.045 0.000 0.895 266 K HN 0.781 nan 8.250 nan 0.000 0.493 267 G N 2.916 111.767 108.800 0.085 0.000 2.402 267 G HA2 -0.087 3.911 3.960 0.064 0.000 0.666 267 G HA3 -0.087 3.911 3.960 0.064 0.000 0.666 267 G C -0.944 174.056 174.900 0.167 0.000 1.402 267 G CA -0.902 44.266 45.100 0.113 0.000 0.920 267 G HN 0.681 nan 8.290 nan 0.000 0.651 268 I N 1.157 121.835 120.570 0.180 0.000 2.683 268 I HA 0.438 4.646 4.170 0.064 0.000 0.286 268 I C -0.091 176.242 176.117 0.359 0.000 1.175 268 I CA -0.004 61.446 61.300 0.250 0.000 1.429 268 I CB 0.450 38.586 38.000 0.225 0.000 1.371 268 I HN 0.645 nan 8.210 nan 0.000 0.569 269 Y N 6.807 127.263 120.300 0.259 0.000 2.477 269 Y HA 0.712 5.300 4.550 0.064 0.000 0.347 269 Y C -0.139 175.975 175.900 0.357 0.000 0.981 269 Y CA 0.296 58.557 58.100 0.269 0.000 1.033 269 Y CB 1.754 40.345 38.460 0.218 0.000 1.245 269 Y HN 0.766 nan 8.280 nan 0.000 0.455 270 G N 3.720 112.430 108.800 -0.151 0.000 2.302 270 G HA2 0.325 4.323 3.960 0.064 0.000 0.264 270 G HA3 0.325 4.323 3.960 0.064 0.000 0.264 270 G C -1.742 173.171 174.900 0.023 0.000 1.335 270 G CA -0.566 44.544 45.100 0.015 0.000 0.982 270 G HN 0.698 nan 8.290 nan 0.000 0.473 271 E N -1.504 118.772 120.200 0.126 0.000 2.445 271 E HA 0.665 5.053 4.350 0.064 0.000 0.279 271 E C -1.321 175.410 176.600 0.218 0.000 1.018 271 E CA -0.881 55.590 56.400 0.118 0.000 0.816 271 E CB 2.634 32.337 29.700 0.006 0.000 1.356 271 E HN 1.230 nan 8.360 nan 0.000 0.462 272 Y N -1.352 118.938 120.300 -0.016 0.000 2.788 272 Y HA 0.776 5.364 4.550 0.063 0.000 0.335 272 Y C -2.146 173.714 175.900 -0.067 0.000 1.287 272 Y CA -1.193 56.869 58.100 -0.063 0.000 1.068 272 Y CB 1.242 39.694 38.460 -0.013 0.000 1.340 272 Y HN 0.473 nan 8.280 nan 0.000 0.449 273 L N 2.040 123.285 121.223 0.037 0.000 2.505 273 L HA 0.518 4.896 4.340 0.064 0.000 0.259 273 L C -1.286 175.642 176.870 0.095 0.000 0.952 273 L CA -0.768 54.027 54.840 -0.076 0.000 0.840 273 L CB 2.603 44.605 42.059 -0.096 0.000 1.358 273 L HN 0.660 nan 8.230 nan 0.000 0.409 274 I N 2.955 123.566 120.570 0.069 0.000 2.440 274 I HA 0.244 4.453 4.170 0.064 0.000 0.294 274 I C 0.476 176.603 176.117 0.017 0.000 0.995 274 I CA -0.118 61.233 61.300 0.084 0.000 1.306 274 I CB 0.884 38.936 38.000 0.088 0.000 1.407 274 I HN 0.721 nan 8.210 nan 0.000 0.501 275 N N 4.423 123.136 118.700 0.022 0.000 2.641 275 N HA -0.180 4.598 4.740 0.064 0.000 0.267 275 N C -1.179 174.348 175.510 0.029 0.000 1.087 275 N CA 0.914 53.976 53.050 0.020 0.000 0.731 275 N CB -0.367 38.124 38.487 0.007 0.000 0.886 275 N HN 0.855 nan 8.380 nan 0.000 0.547 276 A N 1.347 124.192 122.820 0.041 0.000 2.536 276 A HA 0.732 5.090 4.320 0.064 0.000 0.293 276 A C -1.160 176.458 177.584 0.056 0.000 1.119 276 A CA -0.695 51.369 52.037 0.044 0.000 0.654 276 A CB 1.259 20.261 19.000 0.002 0.000 1.291 276 A HN 0.288 nan 8.150 nan 0.000 0.439 277 Q N -0.785 119.049 119.800 0.057 0.000 2.416 277 Q HA 0.477 4.855 4.340 0.064 0.000 0.279 277 Q C 1.280 177.282 176.000 0.003 0.000 1.101 277 Q CA -0.408 55.421 55.803 0.045 0.000 0.830 277 Q CB 1.828 30.620 28.738 0.089 0.000 1.402 277 Q HN 1.097 nan 8.270 nan 0.000 0.445 278 G N 1.258 110.044 108.800 -0.023 0.000 2.649 278 G HA2 -0.398 3.600 3.960 0.064 0.000 0.220 278 G HA3 -0.398 3.600 3.960 0.064 0.000 0.220 278 G C 0.932 175.827 174.900 -0.007 0.000 1.189 278 G CA 1.878 46.956 45.100 -0.036 0.000 0.777 278 G HN 0.829 nan 8.290 nan 0.000 0.602 279 E N 0.751 120.960 120.200 0.015 0.000 2.149 279 E HA -0.277 4.111 4.350 0.064 0.000 0.215 279 E C 2.009 178.626 176.600 0.028 0.000 1.055 279 E CA 1.501 57.917 56.400 0.027 0.000 0.870 279 E CB -0.558 29.166 29.700 0.040 0.000 0.764 279 E HN 0.373 nan 8.360 nan 0.000 0.463 280 D N 0.749 121.166 120.400 0.028 0.000 2.133 280 D HA -0.158 4.520 4.640 0.064 0.000 0.195 280 D C 2.214 178.517 176.300 0.005 0.000 0.997 280 D CA 1.390 55.404 54.000 0.023 0.000 0.840 280 D CB -0.447 40.363 40.800 0.016 0.000 0.947 280 D HN 0.120 nan 8.370 nan 0.000 0.452 281 V N 0.818 120.725 119.914 -0.011 0.000 2.237 281 V HA -0.221 3.937 4.120 0.064 0.000 0.245 281 V C 2.761 178.859 176.094 0.006 0.000 1.046 281 V CA 1.159 63.447 62.300 -0.020 0.000 1.007 281 V CB -0.664 31.138 31.823 -0.035 0.000 0.638 281 V HN 0.048 nan 8.190 nan 0.000 0.445 282 V N 0.397 120.323 119.914 0.020 0.000 2.282 282 V HA -0.325 3.833 4.120 0.064 0.000 0.249 282 V C 2.673 178.797 176.094 0.050 0.000 1.057 282 V CA 2.351 64.679 62.300 0.045 0.000 1.032 282 V CB -1.133 30.721 31.823 0.051 0.000 0.645 282 V HN 0.588 nan 8.190 nan 0.000 0.447 283 A N -0.619 122.226 122.820 0.042 0.000 2.014 283 A HA 0.203 4.561 4.320 0.064 0.000 0.218 283 A C 2.079 179.691 177.584 0.046 0.000 1.163 283 A CA 1.226 53.291 52.037 0.047 0.000 0.652 283 A CB -0.879 18.151 19.000 0.050 0.000 0.808 283 A HN 1.352 nan 8.150 nan 0.000 0.449 284 G N -0.992 107.829 108.800 0.034 0.000 2.321 284 G HA2 -0.267 3.731 3.960 0.064 0.000 0.287 284 G HA3 -0.267 3.731 3.960 0.064 0.000 0.287 284 G C 0.828 175.761 174.900 0.056 0.000 1.018 284 G CA 0.587 45.705 45.100 0.029 0.000 0.855 284 G HN 0.626 nan 8.290 nan 0.000 0.507 285 V N -0.389 119.573 119.914 0.081 0.000 2.307 285 V HA -0.028 4.130 4.120 0.064 0.000 0.245 285 V C 1.882 178.106 176.094 0.215 0.000 1.045 285 V CA 2.123 64.511 62.300 0.147 0.000 1.024 285 V CB -0.253 31.677 31.823 0.179 0.000 0.651 285 V HN 0.536 nan 8.190 nan 0.000 0.449 286 R N 1.416 121.977 120.500 0.102 0.000 2.202 286 R HA 0.301 4.679 4.340 0.064 0.000 0.334 286 R C 0.217 176.489 176.300 -0.047 0.000 1.036 286 R CA -0.067 55.998 56.100 -0.059 0.000 0.878 286 R CB 0.678 30.771 30.300 -0.346 0.000 1.067 286 R HN 0.484 nan 8.270 nan 0.000 0.457 287 T N 2.119 116.671 114.554 -0.005 0.000 2.778 287 T HA 0.066 4.454 4.350 0.064 0.000 0.282 287 T C -2.010 172.632 174.700 -0.098 0.000 0.983 287 T CA -1.382 60.702 62.100 -0.027 0.000 1.193 287 T CB 0.163 69.031 68.868 -0.000 0.000 0.938 287 T HN 0.250 nan 8.240 nan 0.000 0.523 288 P HA 0.088 nan 4.420 nan 0.000 0.266 288 P C 0.100 177.274 177.300 -0.211 0.000 1.195 288 P CA -0.120 62.883 63.100 -0.162 0.000 0.768 288 P CB 0.421 32.062 31.700 -0.098 0.000 0.838 289 Q N 4.150 123.713 119.800 -0.395 0.000 2.259 289 Q HA 0.280 4.658 4.340 0.064 0.000 0.246 289 Q C -2.155 173.711 176.000 -0.223 0.000 0.920 289 Q CA -1.885 53.666 55.803 -0.421 0.000 0.895 289 Q CB 0.174 28.379 28.738 -0.889 0.000 1.220 289 Q HN 0.322 nan 8.270 nan 0.000 0.439 290 P HA -0.025 nan 4.420 nan 0.000 0.271 290 P C 0.384 177.817 177.300 0.223 0.000 1.216 290 P CA -0.129 62.993 63.100 0.038 0.000 0.771 290 P CB 0.499 32.212 31.700 0.023 0.000 0.864 291 I N 3.740 124.468 120.570 0.262 0.000 2.300 291 I HA -0.294 3.914 4.170 0.064 0.000 0.252 291 I C 1.757 178.051 176.117 0.296 0.000 1.119 291 I CA 2.413 63.930 61.300 0.361 0.000 1.384 291 I CB -1.028 37.166 38.000 0.324 0.000 1.062 291 I HN 0.419 nan 8.210 nan 0.000 0.426 292 T N -1.994 112.694 114.554 0.223 0.000 2.803 292 T HA -0.289 4.099 4.350 0.064 0.000 0.269 292 T C 1.830 176.497 174.700 -0.054 0.000 1.052 292 T CA 1.609 63.775 62.100 0.111 0.000 1.136 292 T CB -0.677 68.252 68.868 0.103 0.000 0.864 292 T HN 0.602 nan 8.240 nan 0.000 0.467 293 Q N 0.123 119.973 119.800 0.083 0.000 2.291 293 Q HA 0.033 4.411 4.340 0.064 0.000 0.205 293 Q C 2.108 178.135 176.000 0.046 0.000 0.970 293 Q CA 0.575 56.425 55.803 0.077 0.000 0.876 293 Q CB -0.297 28.533 28.738 0.153 0.000 0.935 293 Q HN 0.517 nan 8.270 nan 0.000 0.455 294 L N 1.079 122.286 121.223 -0.027 0.000 2.265 294 L HA -0.168 4.210 4.340 0.064 0.000 0.215 294 L C 1.911 178.605 176.870 -0.293 0.000 1.117 294 L CA 1.936 56.590 54.840 -0.309 0.000 0.782 294 L CB -0.353 41.310 42.059 -0.661 0.000 0.914 294 L HN 0.279 nan 8.230 nan 0.000 0.441 295 E N -1.122 118.719 120.200 -0.599 0.000 2.268 295 E HA -0.206 4.182 4.350 0.064 0.000 0.195 295 E C 1.524 177.978 176.600 -0.245 0.000 0.995 295 E CA 0.841 56.852 56.400 -0.648 0.000 0.836 295 E CB 0.072 29.124 29.700 -1.079 0.000 0.763 295 E HN 0.568 nan 8.360 nan 0.000 0.491 296 N N 0.948 119.547 118.700 -0.168 0.000 2.148 296 N HA -0.100 4.678 4.740 0.064 0.000 0.186 296 N C 1.247 176.737 175.510 -0.033 0.000 1.031 296 N CA 1.240 54.248 53.050 -0.070 0.000 0.848 296 N CB -0.244 38.224 38.487 -0.032 0.000 1.005 296 N HN 0.174 nan 8.380 nan 0.000 0.427 297 D N 0.080 120.473 120.400 -0.012 0.000 2.097 297 D HA -0.038 4.640 4.640 0.064 0.000 0.195 297 D C 0.364 176.662 176.300 -0.003 0.000 0.989 297 D CA 1.185 55.194 54.000 0.014 0.000 0.827 297 D CB 0.130 40.968 40.800 0.062 0.000 0.966 297 D HN 0.236 nan 8.370 nan 0.000 0.456 298 M N 0.403 119.989 119.600 -0.023 0.000 2.353 298 M HA 0.140 4.658 4.480 0.064 0.000 0.218 298 M C -2.001 174.314 176.300 0.026 0.000 1.044 298 M CA -1.263 54.036 55.300 -0.002 0.000 0.615 298 M CB 3.100 35.696 32.600 -0.007 0.000 1.531 298 M HN -0.197 nan 8.290 nan 0.000 0.378 299 P HA -0.272 nan 4.420 nan 0.000 0.216 299 P C 0.685 178.057 177.300 0.120 0.000 1.154 299 P CA 1.637 64.779 63.100 0.071 0.000 0.865 299 P CB 0.241 31.965 31.700 0.039 0.000 0.789 300 D N -0.707 119.735 120.400 0.070 0.000 2.117 300 D HA -0.119 4.559 4.640 0.064 0.000 0.197 300 D C 1.931 178.268 176.300 0.062 0.000 0.987 300 D CA 1.112 55.148 54.000 0.059 0.000 0.829 300 D CB -0.102 40.718 40.800 0.033 0.000 0.961 300 D HN 0.157 nan 8.370 nan 0.000 0.460 301 C N 0.056 119.392 119.300 0.059 0.000 2.446 301 C HA -0.103 4.395 4.460 0.064 0.000 0.279 301 C C 2.422 177.461 174.990 0.081 0.000 1.366 301 C CA -0.142 58.903 59.018 0.046 0.000 1.763 301 C CB -1.210 26.540 27.740 0.017 0.000 1.929 301 C HN 0.417 nan 8.230 nan 0.000 0.509 302 Y N 2.007 122.299 120.300 -0.014 0.000 2.220 302 Y HA -0.091 4.497 4.550 0.063 0.000 0.291 302 Y C 2.547 178.497 175.900 0.084 0.000 1.129 302 Y CA 1.763 59.883 58.100 0.034 0.000 1.161 302 Y CB -0.358 38.101 38.460 -0.002 0.000 0.997 302 Y HN 0.049 nan 8.280 nan 0.000 0.522 303 K N 0.802 121.263 120.400 0.102 0.000 1.991 303 K HA -0.287 4.071 4.320 0.064 0.000 0.212 303 K C 2.184 178.745 176.600 -0.065 0.000 1.049 303 K CA 2.157 58.442 56.287 -0.004 0.000 0.932 303 K CB -0.661 31.873 32.500 0.057 0.000 0.717 303 K HN 0.543 nan 8.250 nan 0.000 0.441 304 Q N -0.659 119.138 119.800 -0.005 0.000 2.112 304 Q HA -0.197 4.181 4.340 0.064 0.000 0.206 304 Q C 2.138 178.152 176.000 0.024 0.000 0.987 304 Q CA 1.932 57.736 55.803 0.001 0.000 0.858 304 Q CB -0.255 28.500 28.738 0.028 0.000 0.905 304 Q HN 0.349 nan 8.270 nan 0.000 0.420 305 F N 0.190 120.050 119.950 -0.149 0.000 2.186 305 F HA -0.188 4.377 4.527 0.063 0.000 0.299 305 F C 1.891 177.578 175.800 -0.187 0.000 1.090 305 F CA 1.128 59.032 58.000 -0.160 0.000 1.307 305 F CB -0.122 38.603 39.000 -0.457 0.000 1.019 305 F HN 0.082 nan 8.300 nan 0.000 0.489 306 M N 0.360 119.622 119.600 -0.564 0.000 2.175 306 M HA -0.164 4.354 4.480 0.064 0.000 0.264 306 M C 1.758 177.820 176.300 -0.396 0.000 1.063 306 M CA 1.342 56.249 55.300 -0.654 0.000 1.119 306 M CB -1.252 30.999 32.600 -0.582 0.000 1.377 306 M HN 0.150 nan 8.290 nan 0.000 0.415 307 D N 0.473 120.717 120.400 -0.259 0.000 2.097 307 D HA -0.081 4.597 4.640 0.064 0.000 0.197 307 D C 2.268 178.454 176.300 -0.191 0.000 0.984 307 D CA 1.063 54.958 54.000 -0.175 0.000 0.826 307 D CB -0.289 40.440 40.800 -0.118 0.000 0.973 307 D HN 0.305 nan 8.370 nan 0.000 0.460 308 L N 0.734 121.834 121.223 -0.205 0.000 2.083 308 L HA -0.167 4.211 4.340 0.064 0.000 0.209 308 L C 2.494 179.184 176.870 -0.301 0.000 1.083 308 L CA 1.050 55.716 54.840 -0.290 0.000 0.752 308 L CB -0.293 41.544 42.059 -0.369 0.000 0.899 308 L HN -0.020 nan 8.230 nan 0.000 0.433 309 A N -0.655 122.000 122.820 -0.276 0.000 1.898 309 A HA -0.190 4.168 4.320 0.064 0.000 0.216 309 A C 2.186 179.687 177.584 -0.138 0.000 1.181 309 A CA 1.403 53.306 52.037 -0.223 0.000 0.620 309 A CB -0.297 18.390 19.000 -0.523 0.000 0.819 309 A HN 0.262 nan 8.150 nan 0.000 0.442 310 M N -0.174 119.331 119.600 -0.158 0.000 2.319 310 M HA -0.011 4.507 4.480 0.064 0.000 0.265 310 M C 1.925 178.191 176.300 -0.056 0.000 1.068 310 M CA 1.441 56.691 55.300 -0.084 0.000 1.118 310 M CB -1.115 31.433 32.600 -0.087 0.000 1.395 310 M HN 0.589 nan 8.290 nan 0.000 0.435 311 K N 0.507 120.852 120.400 -0.091 0.000 2.148 311 K HA -0.063 4.295 4.320 0.064 0.000 0.204 311 K C 1.821 178.406 176.600 -0.024 0.000 1.050 311 K CA 0.854 57.097 56.287 -0.074 0.000 0.942 311 K CB 0.042 32.465 32.500 -0.127 0.000 0.724 311 K HN 0.299 nan 8.250 nan 0.000 0.446 312 L N 0.617 121.832 121.223 -0.013 0.000 2.217 312 L HA -0.076 4.302 4.340 0.064 0.000 0.211 312 L C 2.541 179.574 176.870 0.271 0.000 1.107 312 L CA 1.025 55.952 54.840 0.145 0.000 0.783 312 L CB -0.243 41.896 42.059 0.133 0.000 0.919 312 L HN 0.376 nan 8.230 nan 0.000 0.442 313 E N 0.646 120.933 120.200 0.145 0.000 2.051 313 E HA -0.179 4.209 4.350 0.064 0.000 0.189 313 E C 2.070 178.737 176.600 0.112 0.000 0.979 313 E CA 0.715 57.203 56.400 0.147 0.000 0.803 313 E CB 0.223 29.975 29.700 0.086 0.000 0.761 313 E HN 0.338 nan 8.360 nan 0.000 0.451 314 K N -0.412 120.023 120.400 0.059 0.000 2.063 314 K HA -0.226 4.132 4.320 0.064 0.000 0.208 314 K C 2.227 178.825 176.600 -0.003 0.000 1.048 314 K CA 1.710 58.010 56.287 0.022 0.000 0.928 314 K CB -0.345 32.157 32.500 0.003 0.000 0.713 314 K HN 0.251 nan 8.250 nan 0.000 0.442 315 H N -0.361 118.652 119.070 -0.095 0.000 2.326 315 H HA -0.070 4.524 4.556 0.064 0.000 0.301 315 H C 1.328 176.442 175.328 -0.357 0.000 1.081 315 H CA 1.661 57.562 56.048 -0.245 0.000 1.334 315 H CB 0.031 29.578 29.762 -0.358 0.000 1.385 315 H HN 0.077 nan 8.280 nan 0.000 0.504 316 F N 0.325 120.274 119.950 -0.001 0.000 2.789 316 F HA 0.204 4.769 4.527 0.064 0.000 0.300 316 F C 0.797 176.568 175.800 -0.048 0.000 1.132 316 F CA 0.428 58.408 58.000 -0.034 0.000 1.404 316 F CB 0.106 39.139 39.000 0.055 0.000 1.114 316 F HN 0.023 nan 8.300 nan 0.000 0.584 317 R N 0.880 121.414 120.500 0.057 0.000 3.516 317 R HA -0.237 4.141 4.340 0.064 0.000 0.271 317 R C -1.041 175.308 176.300 0.081 0.000 1.098 317 R CA 0.918 57.039 56.100 0.036 0.000 0.732 317 R CB -1.881 28.403 30.300 -0.026 0.000 1.152 317 R HN 0.318 nan 8.270 nan 0.000 0.455 318 D N -1.277 119.202 120.400 0.131 0.000 2.648 318 D HA 0.135 4.813 4.640 0.064 0.000 0.244 318 D C -0.570 175.804 176.300 0.124 0.000 1.244 318 D CA -0.749 53.321 54.000 0.115 0.000 0.772 318 D CB 0.924 41.791 40.800 0.111 0.000 1.379 318 D HN -0.026 nan 8.370 nan 0.000 0.428 319 M N 2.132 121.795 119.600 0.105 0.000 2.260 319 M HA 0.066 4.584 4.480 0.064 0.000 0.348 319 M C -1.002 175.380 176.300 0.137 0.000 1.342 319 M CA 0.576 55.947 55.300 0.118 0.000 1.040 319 M CB 0.316 32.979 32.600 0.105 0.000 1.810 319 M HN 0.295 nan 8.290 nan 0.000 0.453 320 Q N 3.453 123.340 119.800 0.146 0.000 2.282 320 Q HA 0.289 4.667 4.340 0.064 0.000 0.260 320 Q C -0.963 175.118 176.000 0.136 0.000 0.964 320 Q CA -0.335 55.535 55.803 0.112 0.000 0.880 320 Q CB 1.622 30.417 28.738 0.095 0.000 1.286 320 Q HN 0.587 nan 8.270 nan 0.000 0.445 321 D N 3.196 123.624 120.400 0.047 0.000 2.359 321 D HA 0.376 5.054 4.640 0.064 0.000 0.230 321 D C -0.842 175.369 176.300 -0.148 0.000 1.118 321 D CA -0.175 53.691 54.000 -0.222 0.000 0.844 321 D CB 0.382 41.090 40.800 -0.154 0.000 1.059 321 D HN 0.370 nan 8.370 nan 0.000 0.493 322 M N 1.942 121.479 119.600 -0.105 0.000 2.724 322 M HA 0.494 5.012 4.480 0.064 0.000 0.310 322 M C -0.238 176.093 176.300 0.052 0.000 1.217 322 M CA -0.796 54.549 55.300 0.074 0.000 0.894 322 M CB 2.583 35.358 32.600 0.292 0.000 1.719 322 M HN 0.082 nan 8.290 nan 0.000 0.479 323 E N 1.609 121.854 120.200 0.074 0.000 2.275 323 E HA 0.619 5.007 4.350 0.064 0.000 0.270 323 E C -1.730 174.856 176.600 -0.023 0.000 0.882 323 E CA -0.596 55.804 56.400 0.001 0.000 0.758 323 E CB 2.401 32.072 29.700 -0.047 0.000 1.195 323 E HN 0.535 nan 8.360 nan 0.000 0.419 324 F N -1.244 118.533 119.950 -0.288 0.000 2.629 324 F HA 0.789 5.354 4.527 0.063 0.000 0.316 324 F C -0.850 174.843 175.800 -0.179 0.000 1.081 324 F CA -0.932 56.867 58.000 -0.336 0.000 0.954 324 F CB 1.757 40.353 39.000 -0.673 0.000 1.337 324 F HN 0.100 nan 8.300 nan 0.000 0.474 325 T N 2.540 117.021 114.554 -0.121 0.000 2.921 325 T HA 0.576 4.964 4.350 0.064 0.000 0.297 325 T C -0.856 173.947 174.700 0.172 0.000 1.013 325 T CA -0.379 61.663 62.100 -0.097 0.000 0.990 325 T CB 1.543 70.400 68.868 -0.018 0.000 1.023 325 T HN 0.622 nan 8.240 nan 0.000 0.447 326 I N 2.640 123.281 120.570 0.118 0.000 2.336 326 I HA 0.366 4.574 4.170 0.064 0.000 0.292 326 I C 0.307 176.535 176.117 0.186 0.000 0.991 326 I CA -0.489 60.910 61.300 0.166 0.000 1.227 326 I CB 1.325 39.387 38.000 0.103 0.000 1.366 326 I HN 0.585 nan 8.210 nan 0.000 0.466 327 E N 7.361 127.736 120.200 0.292 0.000 2.145 327 E HA 0.204 4.592 4.350 0.064 0.000 0.262 327 E C -0.709 175.981 176.600 0.151 0.000 0.883 327 E CA -0.435 56.108 56.400 0.238 0.000 0.748 327 E CB 0.746 30.634 29.700 0.313 0.000 1.140 327 E HN 0.540 nan 8.360 nan 0.000 0.417 328 E N 3.042 123.274 120.200 0.052 0.000 2.197 328 E HA -0.298 4.090 4.350 0.064 0.000 0.184 328 E C 0.562 177.182 176.600 0.034 0.000 1.439 328 E CA 0.530 56.938 56.400 0.013 0.000 0.688 328 E CB -1.462 28.228 29.700 -0.016 0.000 1.090 328 E HN 1.083 nan 8.360 nan 0.000 0.341 329 G N 0.193 109.014 108.800 0.035 0.000 2.162 329 G HA2 -0.336 3.662 3.960 0.064 0.000 0.260 329 G HA3 -0.336 3.662 3.960 0.064 0.000 0.260 329 G C 0.065 174.973 174.900 0.012 0.000 0.976 329 G CA 0.756 45.870 45.100 0.023 0.000 0.655 329 G HN 0.213 nan 8.290 nan 0.000 0.533 330 K N -0.207 120.206 120.400 0.021 0.000 2.292 330 K HA 0.591 4.949 4.320 0.064 0.000 0.257 330 K C -0.482 175.990 176.600 -0.214 0.000 0.940 330 K CA -1.002 55.228 56.287 -0.095 0.000 0.811 330 K CB 2.403 34.856 32.500 -0.077 0.000 1.120 330 K HN 0.192 nan 8.250 nan 0.000 0.428 331 L N 3.539 124.600 121.223 -0.270 0.000 2.305 331 L HA 0.335 4.713 4.340 0.064 0.000 0.281 331 L C -1.363 175.248 176.870 -0.433 0.000 1.085 331 L CA 0.067 54.800 54.840 -0.179 0.000 0.813 331 L CB 0.184 42.247 42.059 0.006 0.000 1.157 331 L HN 0.404 nan 8.230 nan 0.000 0.436 332 Y N 4.156 124.585 120.300 0.215 0.000 2.477 332 Y HA 0.537 5.125 4.550 0.063 0.000 0.347 332 Y C -0.743 175.342 175.900 0.309 0.000 0.981 332 Y CA -0.558 57.685 58.100 0.239 0.000 1.033 332 Y CB 1.591 40.137 38.460 0.143 0.000 1.245 332 Y HN 0.378 nan 8.280 nan 0.000 0.455 333 F N 2.377 122.489 119.950 0.270 0.000 2.450 333 F HA 0.480 5.045 4.527 0.063 0.000 0.332 333 F C 0.363 176.263 175.800 0.166 0.000 1.093 333 F CA -0.578 57.559 58.000 0.228 0.000 1.003 333 F CB 1.361 40.463 39.000 0.169 0.000 1.151 333 F HN 0.397 nan 8.300 nan 0.000 0.474 334 L N 1.102 122.480 121.223 0.258 0.000 2.781 334 L HA 0.379 4.757 4.340 0.064 0.000 0.245 334 L C -0.271 176.650 176.870 0.086 0.000 1.118 334 L CA 0.002 54.921 54.840 0.132 0.000 0.918 334 L CB 0.360 42.450 42.059 0.052 0.000 1.246 334 L HN 0.613 nan 8.230 nan 0.000 0.526 335 Q N -0.628 119.249 119.800 0.129 0.000 2.721 335 Q HA 0.400 4.779 4.340 0.064 0.000 0.282 335 Q C -1.537 174.526 176.000 0.105 0.000 0.932 335 Q CA -0.319 55.522 55.803 0.063 0.000 0.816 335 Q CB 2.447 31.196 28.738 0.018 0.000 1.506 335 Q HN -0.124 nan 8.270 nan 0.000 0.399 336 T N 1.294 115.856 114.554 0.013 0.000 3.047 336 T HA 0.692 5.080 4.350 0.064 0.000 0.340 336 T C -2.250 172.339 174.700 -0.184 0.000 1.421 336 T CA -0.538 61.542 62.100 -0.035 0.000 1.090 336 T CB 1.013 69.886 68.868 0.009 0.000 1.292 336 T HN 0.726 nan 8.240 nan 0.000 0.480 337 R N 2.351 122.735 120.500 -0.193 0.000 2.629 337 R HA 0.498 4.876 4.340 0.064 0.000 0.266 337 R C -1.289 174.925 176.300 -0.142 0.000 1.051 337 R CA -1.170 54.807 56.100 -0.205 0.000 0.895 337 R CB 0.599 30.851 30.300 -0.080 0.000 1.246 337 R HN 0.398 nan 8.270 nan 0.000 0.459 338 N N 0.911 119.534 118.700 -0.130 0.000 2.411 338 N HA 0.032 4.810 4.740 0.064 0.000 0.265 338 N C 0.067 175.618 175.510 0.068 0.000 1.266 338 N CA 0.829 53.871 53.050 -0.014 0.000 0.889 338 N CB 0.928 39.426 38.487 0.019 0.000 1.069 338 N HN 0.735 nan 8.380 nan 0.000 0.476 339 G N 2.343 111.229 108.800 0.143 0.000 2.398 339 G HA2 0.013 4.011 3.960 0.064 0.000 0.246 339 G HA3 0.013 4.011 3.960 0.064 0.000 0.246 339 G C 0.445 175.456 174.900 0.185 0.000 1.289 339 G CA -0.348 44.911 45.100 0.265 0.000 0.869 339 G HN 0.325 nan 8.290 nan 0.000 0.543 340 K N 1.139 121.660 120.400 0.202 0.000 2.258 340 K HA 0.297 4.655 4.320 0.064 0.000 0.264 340 K C 0.754 177.363 176.600 0.014 0.000 1.007 340 K CA 0.097 56.448 56.287 0.107 0.000 0.941 340 K CB 1.144 33.717 32.500 0.120 0.000 0.966 340 K HN 0.907 nan 8.250 nan 0.000 0.480 341 R N -1.690 118.799 120.500 -0.018 0.000 2.712 341 R HA 0.294 4.672 4.340 0.064 0.000 0.272 341 R C -0.562 175.705 176.300 -0.054 0.000 1.032 341 R CA -0.817 55.232 56.100 -0.084 0.000 0.874 341 R CB 0.292 30.542 30.300 -0.083 0.000 1.256 341 R HN 0.623 nan 8.270 nan 0.000 0.468 342 T N -1.645 112.864 114.554 -0.075 0.000 2.788 342 T HA 0.387 4.775 4.350 0.064 0.000 0.287 342 T C 1.502 176.181 174.700 -0.034 0.000 1.007 342 T CA -0.090 61.981 62.100 -0.048 0.000 1.005 342 T CB 1.243 70.078 68.868 -0.055 0.000 1.012 342 T HN 0.718 nan 8.240 nan 0.000 0.530 343 A N 1.395 124.201 122.820 -0.024 0.000 1.858 343 A HA 0.078 4.436 4.320 0.064 0.000 0.216 343 A C -0.016 177.561 177.584 -0.011 0.000 1.190 343 A CA 1.282 53.311 52.037 -0.013 0.000 0.617 343 A CB -2.088 16.896 19.000 -0.028 0.000 0.827 343 A HN 0.737 nan 8.150 nan 0.000 0.443 344 P HA -0.188 nan 4.420 nan 0.000 0.216 344 P C 1.700 178.985 177.300 -0.024 0.000 1.153 344 P CA 2.159 65.246 63.100 -0.023 0.000 0.858 344 P CB -0.141 31.538 31.700 -0.034 0.000 0.789 345 A N -0.209 122.586 122.820 -0.042 0.000 1.898 345 A HA -0.065 4.293 4.320 0.064 0.000 0.216 345 A C 2.334 179.900 177.584 -0.029 0.000 1.181 345 A CA 2.003 54.006 52.037 -0.056 0.000 0.620 345 A CB -1.567 17.371 19.000 -0.104 0.000 0.819 345 A HN 0.197 nan 8.150 nan 0.000 0.442 346 A N -0.329 122.482 122.820 -0.015 0.000 1.972 346 A HA 0.029 4.387 4.320 0.064 0.000 0.219 346 A C 2.153 179.747 177.584 0.017 0.000 1.169 346 A CA 1.414 53.456 52.037 0.008 0.000 0.635 346 A CB -0.508 18.503 19.000 0.019 0.000 0.810 346 A HN 0.474 nan 8.150 nan 0.000 0.446 347 L N -1.393 119.836 121.223 0.009 0.000 1.993 347 L HA -0.196 4.182 4.340 0.064 0.000 0.206 347 L C 2.781 179.643 176.870 -0.013 0.000 1.074 347 L CA 1.636 56.474 54.840 -0.004 0.000 0.746 347 L CB -0.837 41.227 42.059 0.008 0.000 0.896 347 L HN 0.451 nan 8.230 nan 0.000 0.435 348 Q N 0.850 120.643 119.800 -0.011 0.000 2.103 348 Q HA -0.269 4.109 4.340 0.064 0.000 0.213 348 Q C 1.983 177.988 176.000 0.009 0.000 1.008 348 Q CA 2.246 58.044 55.803 -0.008 0.000 0.879 348 Q CB -0.517 28.215 28.738 -0.010 0.000 0.946 348 Q HN 0.473 nan 8.270 nan 0.000 0.413 349 I N -0.216 120.362 120.570 0.013 0.000 2.142 349 I HA -0.276 3.932 4.170 0.064 0.000 0.240 349 I C 2.240 178.392 176.117 0.059 0.000 1.078 349 I CA 1.042 62.361 61.300 0.031 0.000 1.343 349 I CB -0.630 37.386 38.000 0.026 0.000 1.046 349 I HN 0.386 nan 8.210 nan 0.000 0.405 350 A N -0.359 122.501 122.820 0.067 0.000 2.024 350 A HA -0.247 4.111 4.320 0.064 0.000 0.220 350 A C 2.390 180.075 177.584 0.168 0.000 1.164 350 A CA 1.814 53.920 52.037 0.115 0.000 0.643 350 A CB -1.120 17.953 19.000 0.122 0.000 0.806 350 A HN 0.564 nan 8.150 nan 0.000 0.451 351 C N -0.643 118.719 119.300 0.104 0.000 2.475 351 C HA -0.022 4.476 4.460 0.064 0.000 0.279 351 C C 2.274 177.346 174.990 0.137 0.000 1.322 351 C CA 0.852 59.944 59.018 0.123 0.000 1.734 351 C CB -0.923 26.803 27.740 -0.024 0.000 2.005 351 C HN 0.615 nan 8.230 nan 0.000 0.495 352 D N 1.033 121.485 120.400 0.087 0.000 2.123 352 D HA -0.056 4.623 4.640 0.064 0.000 0.200 352 D C 2.098 178.449 176.300 0.084 0.000 0.976 352 D CA 0.924 54.970 54.000 0.075 0.000 0.831 352 D CB -0.525 40.307 40.800 0.053 0.000 0.974 352 D HN 0.413 nan 8.370 nan 0.000 0.469 353 L N 0.544 121.819 121.223 0.087 0.000 2.127 353 L HA -0.155 4.223 4.340 0.064 0.000 0.211 353 L C 2.464 179.381 176.870 0.078 0.000 1.089 353 L CA 0.622 55.507 54.840 0.076 0.000 0.757 353 L CB -0.299 41.806 42.059 0.076 0.000 0.899 353 L HN -0.037 nan 8.230 nan 0.000 0.434 354 V N -0.449 119.541 119.914 0.127 0.000 2.323 354 V HA -0.233 3.925 4.120 0.064 0.000 0.244 354 V C 1.949 178.099 176.094 0.094 0.000 1.041 354 V CA 1.748 64.118 62.300 0.118 0.000 1.025 354 V CB -0.391 31.596 31.823 0.273 0.000 0.656 354 V HN 0.405 nan 8.190 nan 0.000 0.451 355 D N 0.034 120.509 120.400 0.125 0.000 2.264 355 D HA -0.131 4.547 4.640 0.064 0.000 0.208 355 D C 1.909 178.242 176.300 0.055 0.000 0.966 355 D CA 0.918 54.974 54.000 0.092 0.000 0.864 355 D CB -0.076 40.782 40.800 0.095 0.000 0.933 355 D HN 0.591 nan 8.370 nan 0.000 0.499 356 E N -0.727 119.502 120.200 0.047 0.000 2.479 356 E HA 0.253 4.641 4.350 0.064 0.000 0.193 356 E C 1.278 177.889 176.600 0.018 0.000 1.049 356 E CA 0.322 56.740 56.400 0.031 0.000 0.870 356 E CB 0.593 30.312 29.700 0.032 0.000 0.944 356 E HN 0.204 nan 8.360 nan 0.000 0.492 357 G N 1.285 110.094 108.800 0.015 0.000 2.176 357 G HA2 -0.369 3.629 3.960 0.064 0.000 0.253 357 G HA3 -0.369 3.629 3.960 0.064 0.000 0.253 357 G C 0.831 175.726 174.900 -0.008 0.000 0.979 357 G CA 0.541 45.640 45.100 -0.002 0.000 0.641 357 G HN 0.286 nan 8.290 nan 0.000 0.530 358 M N 0.129 119.730 119.600 0.002 0.000 2.200 358 M HA 0.292 4.810 4.480 0.064 0.000 0.265 358 M C 1.350 177.643 176.300 -0.012 0.000 1.066 358 M CA 1.887 57.186 55.300 -0.003 0.000 1.127 358 M CB -0.022 32.585 32.600 0.012 0.000 1.379 358 M HN 0.609 nan 8.290 nan 0.000 0.420 359 I N -3.094 117.472 120.570 -0.006 0.000 2.969 359 I HA 0.450 4.659 4.170 0.064 0.000 0.307 359 I C -0.063 176.026 176.117 -0.046 0.000 1.149 359 I CA -1.107 60.181 61.300 -0.020 0.000 1.008 359 I CB 1.939 39.943 38.000 0.006 0.000 1.232 359 I HN -0.042 nan 8.210 nan 0.000 0.435 360 T N -0.521 113.986 114.554 -0.078 0.000 2.788 360 T HA 0.304 4.692 4.350 0.064 0.000 0.287 360 T C 0.724 175.317 174.700 -0.177 0.000 1.007 360 T CA -0.234 61.785 62.100 -0.135 0.000 1.005 360 T CB 1.175 69.959 68.868 -0.140 0.000 1.012 360 T HN 0.793 nan 8.240 nan 0.000 0.530 361 E N 0.443 120.444 120.200 -0.332 0.000 2.110 361 E HA -0.156 4.232 4.350 0.064 0.000 0.193 361 E C 1.999 178.517 176.600 -0.136 0.000 0.988 361 E CA 1.166 57.268 56.400 -0.497 0.000 0.804 361 E CB -0.093 29.030 29.700 -0.962 0.000 0.745 361 E HN 0.695 nan 8.360 nan 0.000 0.458 362 E N 1.229 121.267 120.200 -0.271 0.000 2.077 362 E HA -0.173 4.215 4.350 0.064 0.000 0.193 362 E C 1.771 178.242 176.600 -0.215 0.000 0.989 362 E CA 1.128 57.245 56.400 -0.471 0.000 0.800 362 E CB -0.056 29.345 29.700 -0.499 0.000 0.746 362 E HN 0.320 nan 8.360 nan 0.000 0.452 363 E N 0.010 120.130 120.200 -0.132 0.000 2.204 363 E HA -0.082 4.306 4.350 0.064 0.000 0.194 363 E C 1.893 178.498 176.600 0.008 0.000 0.989 363 E CA 0.794 57.158 56.400 -0.061 0.000 0.824 363 E CB -0.060 29.610 29.700 -0.051 0.000 0.756 363 E HN 0.258 nan 8.360 nan 0.000 0.477 364 A N 0.824 123.680 122.820 0.060 0.000 1.898 364 A HA -0.062 4.296 4.320 0.064 0.000 0.214 364 A C 2.436 180.124 177.584 0.172 0.000 1.183 364 A CA 0.677 52.811 52.037 0.162 0.000 0.622 364 A CB -0.388 18.811 19.000 0.331 0.000 0.824 364 A HN 0.096 nan 8.150 nan 0.000 0.444 365 V N -0.428 119.599 119.914 0.189 0.000 2.283 365 V HA -0.190 3.969 4.120 0.064 0.000 0.243 365 V C 2.550 178.695 176.094 0.086 0.000 1.039 365 V CA 1.893 64.300 62.300 0.179 0.000 1.016 365 V CB -0.561 31.418 31.823 0.260 0.000 0.650 365 V HN 0.330 nan 8.190 nan 0.000 0.449 366 V N 0.209 120.139 119.914 0.026 0.000 2.546 366 V HA -0.291 3.867 4.120 0.064 0.000 0.254 366 V C 2.512 178.621 176.094 0.026 0.000 1.076 366 V CA 2.418 64.719 62.300 0.002 0.000 1.087 366 V CB -0.840 30.956 31.823 -0.044 0.000 0.674 366 V HN 0.509 nan 8.190 nan 0.000 0.470 367 R N -0.266 120.259 120.500 0.041 0.000 2.093 367 R HA 0.047 4.425 4.340 0.064 0.000 0.224 367 R C 0.932 177.265 176.300 0.056 0.000 1.101 367 R CA 0.470 56.599 56.100 0.049 0.000 0.979 367 R CB -0.026 30.307 30.300 0.056 0.000 0.877 367 R HN 0.408 nan 8.270 nan 0.000 0.441 368 I N 2.048 122.654 120.570 0.061 0.000 2.692 368 I HA -0.060 4.149 4.170 0.064 0.000 0.284 368 I C 0.355 176.504 176.117 0.053 0.000 1.159 368 I CA 0.270 61.604 61.300 0.057 0.000 1.423 368 I CB 0.876 38.912 38.000 0.059 0.000 1.380 368 I HN 0.221 nan 8.210 nan 0.000 0.580 369 E N 5.722 125.951 120.200 0.049 0.000 1.932 369 E HA 0.204 4.592 4.350 0.064 0.000 0.275 369 E C 0.951 177.578 176.600 0.045 0.000 1.159 369 E CA -0.153 56.276 56.400 0.047 0.000 0.905 369 E CB 0.792 30.518 29.700 0.043 0.000 1.059 369 E HN 0.773 nan 8.360 nan 0.000 0.400 370 A N 5.549 128.400 122.820 0.050 0.000 1.915 370 A HA -0.310 4.048 4.320 0.064 0.000 0.220 370 A C 2.039 179.650 177.584 0.046 0.000 1.198 370 A CA 2.139 54.209 52.037 0.054 0.000 0.647 370 A CB -0.415 18.621 19.000 0.060 0.000 0.825 370 A HN 0.743 nan 8.150 nan 0.000 0.456 371 K N 0.269 120.691 120.400 0.038 0.000 2.113 371 K HA -0.194 4.164 4.320 0.064 0.000 0.208 371 K C 2.147 178.753 176.600 0.010 0.000 1.047 371 K CA 1.930 58.232 56.287 0.026 0.000 0.928 371 K CB -0.262 32.251 32.500 0.022 0.000 0.716 371 K HN 0.646 nan 8.250 nan 0.000 0.446 372 S N 1.031 116.737 115.700 0.010 0.000 2.442 372 S HA -0.109 4.399 4.470 0.064 0.000 0.236 372 S C 1.848 176.430 174.600 -0.031 0.000 1.007 372 S CA 0.950 59.146 58.200 -0.007 0.000 0.965 372 S CB -0.613 62.589 63.200 0.003 0.000 0.773 372 S HN 0.359 nan 8.310 nan 0.000 0.504 373 L N 2.608 123.826 121.223 -0.008 0.000 2.447 373 L HA -0.128 4.250 4.340 0.064 0.000 0.225 373 L C 2.518 179.321 176.870 -0.112 0.000 1.148 373 L CA 1.500 56.327 54.840 -0.022 0.000 0.808 373 L CB -1.216 40.880 42.059 0.062 0.000 0.928 373 L HN 0.531 nan 8.230 nan 0.000 0.448 374 D N 0.307 120.634 120.400 -0.121 0.000 2.218 374 D HA -0.261 4.417 4.640 0.064 0.000 0.204 374 D C 1.736 177.744 176.300 -0.487 0.000 0.976 374 D CA 1.121 54.995 54.000 -0.210 0.000 0.853 374 D CB -0.201 40.520 40.800 -0.133 0.000 0.939 374 D HN 0.470 nan 8.370 nan 0.000 0.481 375 Q N 0.310 119.852 119.800 -0.429 0.000 2.135 375 Q HA -0.059 4.319 4.340 0.064 0.000 0.204 375 Q C 2.622 178.362 176.000 -0.433 0.000 0.981 375 Q CA 0.998 56.464 55.803 -0.563 0.000 0.856 375 Q CB -0.258 28.403 28.738 -0.129 0.000 0.902 375 Q HN 0.388 nan 8.270 nan 0.000 0.425 376 L N -0.061 120.978 121.223 -0.307 0.000 2.349 376 L HA -0.163 4.215 4.340 0.064 0.000 0.220 376 L C 1.681 178.331 176.870 -0.366 0.000 1.130 376 L CA 0.771 55.434 54.840 -0.293 0.000 0.791 376 L CB -0.234 41.633 42.059 -0.321 0.000 0.918 376 L HN 0.217 nan 8.230 nan 0.000 0.444 377 L N -1.934 119.026 121.223 -0.439 0.000 2.857 377 L HA 0.179 4.557 4.340 0.064 0.000 0.249 377 L C 0.330 176.973 176.870 -0.377 0.000 1.172 377 L CA -0.337 54.193 54.840 -0.516 0.000 0.980 377 L CB -0.022 41.590 42.059 -0.745 0.000 1.299 377 L HN 0.160 nan 8.230 nan 0.000 0.535 378 H N 2.314 121.246 119.070 -0.229 0.000 3.034 378 H HA 0.032 4.626 4.556 0.063 0.000 0.324 378 H C -1.850 173.363 175.328 -0.192 0.000 1.015 378 H CA -1.522 54.420 56.048 -0.176 0.000 1.429 378 H CB 0.416 30.085 29.762 -0.156 0.000 1.429 378 H HN 0.009 nan 8.280 nan 0.000 0.585 379 P HA -0.059 nan 4.420 nan 0.000 0.266 379 P C -0.254 176.958 177.300 -0.146 0.000 1.195 379 P CA -0.142 62.906 63.100 -0.087 0.000 0.768 379 P CB 0.872 32.534 31.700 -0.063 0.000 0.838 380 T N -0.149 114.325 114.554 -0.133 0.000 2.936 380 T HA 0.511 4.899 4.350 0.064 0.000 0.282 380 T C 0.329 174.958 174.700 -0.119 0.000 1.003 380 T CA -0.634 61.377 62.100 -0.149 0.000 1.005 380 T CB 0.342 69.174 68.868 -0.059 0.000 1.097 380 T HN 0.043 nan 8.240 nan 0.000 0.532 381 F N 1.535 121.461 119.950 -0.039 0.000 2.490 381 F HA 0.303 4.869 4.527 0.064 0.000 0.336 381 F C 1.195 176.967 175.800 -0.048 0.000 1.178 381 F CA -0.490 57.478 58.000 -0.054 0.000 1.301 381 F CB 0.200 39.151 39.000 -0.082 0.000 1.175 381 F HN 0.652 nan 8.300 nan 0.000 0.593 382 N N 3.952 122.776 118.700 0.206 0.000 2.437 382 N HA 0.224 5.002 4.740 0.064 0.000 0.243 382 N C -1.728 173.806 175.510 0.040 0.000 1.041 382 N CA -2.097 51.004 53.050 0.085 0.000 0.940 382 N CB 0.872 39.394 38.487 0.059 0.000 1.133 382 N HN 0.078 nan 8.380 nan 0.000 0.506 383 P HA -0.362 nan 4.420 nan 0.000 0.222 383 P C 0.854 178.140 177.300 -0.024 0.000 1.159 383 P CA 2.125 65.226 63.100 0.001 0.000 0.920 383 P CB 0.031 31.737 31.700 0.011 0.000 0.793 384 A N 0.590 123.401 122.820 -0.014 0.000 1.859 384 A HA -0.153 4.205 4.320 0.064 0.000 0.217 384 A C 2.635 180.192 177.584 -0.044 0.000 1.198 384 A CA 3.071 55.095 52.037 -0.021 0.000 0.629 384 A CB -1.705 17.289 19.000 -0.010 0.000 0.830 384 A HN 0.291 nan 8.150 nan 0.000 0.446 385 A N -0.793 121.998 122.820 -0.048 0.000 1.892 385 A HA -0.133 4.225 4.320 0.064 0.000 0.218 385 A C 2.185 179.656 177.584 -0.188 0.000 1.188 385 A CA 2.002 53.990 52.037 -0.083 0.000 0.631 385 A CB -0.721 18.252 19.000 -0.045 0.000 0.822 385 A HN 0.723 nan 8.150 nan 0.000 0.447 386 L N -0.201 120.867 121.223 -0.258 0.000 2.046 386 L HA -0.124 4.254 4.340 0.064 0.000 0.208 386 L C 2.336 179.059 176.870 -0.244 0.000 1.077 386 L CA 2.620 57.182 54.840 -0.464 0.000 0.747 386 L CB -0.587 41.221 42.059 -0.418 0.000 0.896 386 L HN 0.488 nan 8.230 nan 0.000 0.432 387 K N -0.695 119.637 120.400 -0.113 0.000 2.032 387 K HA -0.170 4.188 4.320 0.064 0.000 0.209 387 K C 1.776 178.365 176.600 -0.018 0.000 1.048 387 K CA 1.536 57.801 56.287 -0.037 0.000 0.927 387 K CB -0.260 32.227 32.500 -0.022 0.000 0.712 387 K HN 0.425 nan 8.250 nan 0.000 0.441 388 A N 0.767 123.565 122.820 -0.037 0.000 2.235 388 A HA 0.156 4.514 4.320 0.064 0.000 0.208 388 A C 0.923 178.506 177.584 -0.003 0.000 1.172 388 A CA 0.493 52.521 52.037 -0.015 0.000 0.786 388 A CB -0.411 18.577 19.000 -0.020 0.000 0.804 388 A HN 0.405 nan 8.150 nan 0.000 0.479 389 G N -0.035 108.744 108.800 -0.034 0.000 2.398 389 G HA2 0.300 4.298 3.960 0.064 0.000 0.246 389 G HA3 0.300 4.298 3.960 0.064 0.000 0.246 389 G C -0.010 175.031 174.900 0.234 0.000 1.289 389 G CA -0.331 44.780 45.100 0.019 0.000 0.869 389 G HN 0.455 nan 8.290 nan 0.000 0.543 390 E N 2.627 122.967 120.200 0.233 0.000 1.852 390 E HA 0.141 4.529 4.350 0.064 0.000 0.276 390 E C 0.320 177.003 176.600 0.138 0.000 1.163 390 E CA -0.529 55.973 56.400 0.169 0.000 1.117 390 E CB 0.087 29.860 29.700 0.122 0.000 1.124 390 E HN 0.190 nan 8.360 nan 0.000 0.458 391 V N 6.062 125.988 119.914 0.020 0.000 2.583 391 V HA -0.150 4.008 4.120 0.064 0.000 0.302 391 V C 1.367 177.383 176.094 -0.130 0.000 1.033 391 V CA 1.056 63.169 62.300 -0.311 0.000 1.194 391 V CB 0.016 31.666 31.823 -0.289 0.000 0.879 391 V HN 0.635 nan 8.190 nan 0.000 0.482 392 I N 1.915 122.410 120.570 -0.125 0.000 4.154 392 I HA 0.692 4.900 4.170 0.064 0.000 0.334 392 I C 0.683 176.786 176.117 -0.022 0.000 1.371 392 I CA 0.345 61.641 61.300 -0.007 0.000 1.110 392 I CB 0.689 38.752 38.000 0.106 0.000 1.085 392 I HN 0.647 nan 8.210 nan 0.000 0.398 393 G N 0.322 109.067 108.800 -0.091 0.000 2.451 393 G HA2 0.479 4.477 3.960 0.064 0.000 0.292 393 G HA3 0.479 4.477 3.960 0.064 0.000 0.292 393 G C -1.872 172.967 174.900 -0.101 0.000 1.427 393 G CA -0.057 45.005 45.100 -0.063 0.000 0.792 393 G HN 0.116 nan 8.290 nan 0.000 0.498 394 S N -1.533 114.130 115.700 -0.061 0.000 2.579 394 S HA 1.023 5.531 4.470 0.064 0.000 0.272 394 S C -0.197 174.386 174.600 -0.029 0.000 1.141 394 S CA 0.879 59.044 58.200 -0.058 0.000 0.843 394 S CB 1.558 64.727 63.200 -0.052 0.000 1.122 394 S HN 2.512 nan 8.310 nan 0.000 0.468 395 A N 1.674 124.483 122.820 -0.019 0.000 2.799 395 A HA 0.576 4.934 4.320 0.064 0.000 0.308 395 A C -1.849 175.739 177.584 0.006 0.000 1.108 395 A CA -0.789 51.245 52.037 -0.006 0.000 0.600 395 A CB -0.007 18.988 19.000 -0.009 0.000 1.452 395 A HN 0.790 nan 8.150 nan 0.000 0.617 396 L N 1.969 123.199 121.223 0.012 0.000 2.410 396 L HA 0.323 4.701 4.340 0.064 0.000 0.273 396 L C -1.955 174.937 176.870 0.037 0.000 1.144 396 L CA -1.286 53.568 54.840 0.025 0.000 0.863 396 L CB 0.565 42.638 42.059 0.024 0.000 1.140 396 L HN 0.419 nan 8.230 nan 0.000 0.463 397 P HA 0.117 nan 4.420 nan 0.000 0.266 397 P C 0.191 177.535 177.300 0.074 0.000 1.586 397 P CA -0.196 62.940 63.100 0.059 0.000 1.088 397 P CB 1.286 33.025 31.700 0.066 0.000 1.584 398 A N 3.233 126.091 122.820 0.062 0.000 1.930 398 A HA 0.043 4.402 4.320 0.064 0.000 0.215 398 A C 1.202 178.814 177.584 0.047 0.000 1.176 398 A CA 1.081 53.164 52.037 0.077 0.000 0.632 398 A CB -0.229 18.806 19.000 0.058 0.000 0.819 398 A HN 0.513 nan 8.150 nan 0.000 0.445 399 S N -0.052 115.659 115.700 0.019 0.000 2.619 399 S HA 0.541 5.049 4.470 0.064 0.000 0.280 399 S C -3.211 171.385 174.600 -0.007 0.000 1.150 399 S CA -1.680 56.515 58.200 -0.009 0.000 0.978 399 S CB 1.845 65.031 63.200 -0.022 0.000 1.041 399 S HN 0.099 nan 8.310 nan 0.000 0.485 400 P HA 0.515 nan 4.420 nan 0.000 0.272 400 P C 0.201 177.489 177.300 -0.021 0.000 1.223 400 P CA 0.425 63.523 63.100 -0.004 0.000 0.784 400 P CB 0.575 32.270 31.700 -0.010 0.000 0.923 401 G N -0.074 108.715 108.800 -0.019 0.000 2.402 401 G HA2 0.356 4.354 3.960 0.064 0.000 0.666 401 G HA3 0.356 4.354 3.960 0.064 0.000 0.666 401 G C -1.357 173.474 174.900 -0.116 0.000 1.402 401 G CA -0.283 44.769 45.100 -0.079 0.000 0.920 401 G HN 0.512 nan 8.290 nan 0.000 0.651 402 A N 0.268 122.909 122.820 -0.298 0.000 2.269 402 A HA 0.957 5.315 4.320 0.064 0.000 0.302 402 A C 0.660 177.927 177.584 -0.529 0.000 1.266 402 A CA 0.770 52.390 52.037 -0.695 0.000 0.894 402 A CB 0.552 18.686 19.000 -1.444 0.000 1.147 402 A HN 2.440 nan 8.150 nan 0.000 0.537 403 A N 2.039 124.711 122.820 -0.245 0.000 2.350 403 A HA 0.891 5.249 4.320 0.064 0.000 0.324 403 A C -0.150 177.453 177.584 0.032 0.000 1.118 403 A CA 0.014 51.972 52.037 -0.131 0.000 0.783 403 A CB 1.379 20.332 19.000 -0.078 0.000 1.236 403 A HN 2.323 nan 8.150 nan 0.000 0.457 404 A N 1.134 123.969 122.820 0.024 0.000 2.465 404 A HA 0.881 5.239 4.320 0.064 0.000 0.292 404 A C -0.163 177.467 177.584 0.078 0.000 1.041 404 A CA 0.197 52.326 52.037 0.153 0.000 0.718 404 A CB 1.128 20.270 19.000 0.237 0.000 1.266 404 A HN 2.473 nan 8.150 nan 0.000 0.403 405 G N 0.860 109.651 108.800 -0.015 0.000 2.430 405 G HA2 0.520 4.518 3.960 0.064 0.000 0.300 405 G HA3 0.520 4.518 3.960 0.064 0.000 0.300 405 G C -1.527 173.032 174.900 -0.568 0.000 1.330 405 G CA -0.915 44.008 45.100 -0.294 0.000 0.813 405 G HN 0.678 nan 8.290 nan 0.000 0.487 406 K N 0.103 120.139 120.400 -0.607 0.000 2.205 406 K HA 0.515 4.873 4.320 0.064 0.000 0.279 406 K C 0.437 176.954 176.600 -0.138 0.000 1.027 406 K CA -0.583 55.459 56.287 -0.407 0.000 0.932 406 K CB 2.100 34.471 32.500 -0.214 0.000 1.032 406 K HN 0.641 nan 8.250 nan 0.000 0.466 407 V N 0.700 120.490 119.914 -0.206 0.000 2.607 407 V HA 0.404 4.562 4.120 0.064 0.000 0.289 407 V C -0.954 174.718 176.094 -0.705 0.000 1.053 407 V CA -0.310 61.807 62.300 -0.306 0.000 0.996 407 V CB -0.021 31.673 31.823 -0.215 0.000 0.995 407 V HN 0.574 nan 8.190 nan 0.000 0.476 408 Y N 2.497 122.533 120.300 -0.441 0.000 2.553 408 Y HA 0.646 5.235 4.550 0.065 0.000 0.347 408 Y C -0.002 175.526 175.900 -0.620 0.000 1.019 408 Y CA -0.898 56.983 58.100 -0.366 0.000 1.032 408 Y CB 2.234 40.616 38.460 -0.130 0.000 1.284 408 Y HN 0.557 nan 8.280 nan 0.000 0.466 409 F N -0.268 119.759 119.950 0.127 0.000 2.653 409 F HA 0.255 4.821 4.527 0.064 0.000 0.304 409 F C 0.336 176.174 175.800 0.064 0.000 1.092 409 F CA -0.184 57.854 58.000 0.063 0.000 1.279 409 F CB 0.641 39.667 39.000 0.045 0.000 1.044 409 F HN 0.349 nan 8.300 nan 0.000 0.564 410 T N -3.686 110.985 114.554 0.196 0.000 2.956 410 T HA 0.650 5.038 4.350 0.064 0.000 0.312 410 T C 0.753 175.500 174.700 0.079 0.000 1.151 410 T CA -0.379 61.797 62.100 0.126 0.000 1.024 410 T CB 1.716 70.659 68.868 0.125 0.000 1.140 410 T HN -0.079 nan 8.240 nan 0.000 0.473 411 A N 1.895 124.743 122.820 0.047 0.000 1.892 411 A HA -0.119 4.239 4.320 0.064 0.000 0.218 411 A C 1.886 179.474 177.584 0.008 0.000 1.188 411 A CA 2.172 54.222 52.037 0.022 0.000 0.631 411 A CB -1.040 17.977 19.000 0.027 0.000 0.822 411 A HN 0.907 nan 8.150 nan 0.000 0.447 412 D N -0.376 120.036 120.400 0.019 0.000 2.123 412 D HA -0.143 4.535 4.640 0.064 0.000 0.196 412 D C 1.891 178.182 176.300 -0.015 0.000 0.992 412 D CA 1.607 55.611 54.000 0.007 0.000 0.833 412 D CB -0.451 40.362 40.800 0.021 0.000 0.954 412 D HN 0.690 nan 8.370 nan 0.000 0.455 413 E N 0.384 120.595 120.200 0.017 0.000 2.150 413 E HA -0.057 4.331 4.350 0.064 0.000 0.193 413 E C 2.059 178.493 176.600 -0.277 0.000 0.985 413 E CA 0.891 57.287 56.400 -0.007 0.000 0.814 413 E CB 0.020 29.851 29.700 0.218 0.000 0.752 413 E HN 0.206 nan 8.360 nan 0.000 0.466 414 A N 1.523 124.225 122.820 -0.195 0.000 1.897 414 A HA -0.171 4.187 4.320 0.064 0.000 0.215 414 A C 2.045 179.492 177.584 -0.229 0.000 1.181 414 A CA 1.260 53.108 52.037 -0.315 0.000 0.620 414 A CB -0.270 18.669 19.000 -0.102 0.000 0.821 414 A HN 0.036 nan 8.150 nan 0.000 0.443 415 K N -0.092 120.242 120.400 -0.110 0.000 2.026 415 K HA -0.128 4.231 4.320 0.064 0.000 0.208 415 K C 2.195 178.771 176.600 -0.040 0.000 1.048 415 K CA 1.318 57.583 56.287 -0.036 0.000 0.929 415 K CB -0.359 32.134 32.500 -0.012 0.000 0.713 415 K HN 0.341 nan 8.250 nan 0.000 0.439 416 A N 1.285 124.051 122.820 -0.090 0.000 1.851 416 A HA -0.149 4.209 4.320 0.064 0.000 0.216 416 A C 2.398 179.904 177.584 -0.130 0.000 1.195 416 A CA 2.209 54.192 52.037 -0.090 0.000 0.622 416 A CB -1.103 17.850 19.000 -0.078 0.000 0.831 416 A HN 0.510 nan 8.150 nan 0.000 0.444 417 A N -1.129 121.529 122.820 -0.271 0.000 1.948 417 A HA -0.282 4.076 4.320 0.064 0.000 0.220 417 A C 2.051 179.555 177.584 -0.133 0.000 1.177 417 A CA 2.486 54.342 52.037 -0.302 0.000 0.636 417 A CB -0.929 17.567 19.000 -0.839 0.000 0.815 417 A HN 0.796 nan 8.150 nan 0.000 0.449 418 H N -0.008 118.937 119.070 -0.209 0.000 2.389 418 H HA -0.047 4.548 4.556 0.065 0.000 0.299 418 H C 1.933 177.212 175.328 -0.081 0.000 1.081 418 H CA 1.652 57.626 56.048 -0.123 0.000 1.345 418 H CB 0.037 29.734 29.762 -0.107 0.000 1.393 418 H HN 0.461 nan 8.280 nan 0.000 0.520 419 E N 0.995 121.118 120.200 -0.129 0.000 2.085 419 E HA -0.157 4.231 4.350 0.064 0.000 0.194 419 E C 1.448 177.954 176.600 -0.157 0.000 0.994 419 E CA 1.063 57.367 56.400 -0.159 0.000 0.801 419 E CB -0.186 29.463 29.700 -0.085 0.000 0.743 419 E HN 0.525 nan 8.360 nan 0.000 0.453 420 K N 0.111 120.444 120.400 -0.112 0.000 2.632 420 K HA 0.092 4.450 4.320 0.064 0.000 0.196 420 K C 0.787 177.339 176.600 -0.080 0.000 1.023 420 K CA 0.450 56.690 56.287 -0.078 0.000 1.098 420 K CB -0.121 32.354 32.500 -0.042 0.000 0.862 420 K HN 0.257 nan 8.250 nan 0.000 0.504 421 G N 1.665 110.378 108.800 -0.145 0.000 2.160 421 G HA2 -0.294 3.705 3.960 0.064 0.000 0.251 421 G HA3 -0.294 3.705 3.960 0.064 0.000 0.251 421 G C -0.507 174.371 174.900 -0.037 0.000 1.008 421 G CA 0.002 45.026 45.100 -0.126 0.000 0.724 421 G HN 0.458 nan 8.290 nan 0.000 0.514 422 E N -0.247 119.953 120.200 0.000 0.000 2.231 422 E HA 0.533 4.921 4.350 0.064 0.000 0.277 422 E C 0.530 177.212 176.600 0.136 0.000 0.999 422 E CA -0.871 55.573 56.400 0.074 0.000 0.827 422 E CB 1.148 30.892 29.700 0.074 0.000 1.101 422 E HN 0.299 nan 8.360 nan 0.000 0.393 423 R N 1.172 121.730 120.500 0.097 0.000 2.438 423 R HA 0.300 4.678 4.340 0.064 0.000 0.287 423 R C -0.615 175.668 176.300 -0.028 0.000 1.077 423 R CA -0.123 56.014 56.100 0.061 0.000 1.034 423 R CB 0.777 31.107 30.300 0.048 0.000 0.993 423 R HN 0.235 nan 8.270 nan 0.000 0.459 424 V N 4.307 124.186 119.914 -0.058 0.000 3.001 424 V HA 0.491 4.649 4.120 0.064 0.000 0.314 424 V C -0.575 175.468 176.094 -0.085 0.000 1.099 424 V CA -0.844 61.426 62.300 -0.050 0.000 0.989 424 V CB 2.337 34.120 31.823 -0.066 0.000 1.040 424 V HN 0.555 nan 8.190 nan 0.000 0.434 425 I N 3.725 124.263 120.570 -0.053 0.000 2.468 425 I HA 0.338 4.546 4.170 0.064 0.000 0.284 425 I C -0.708 175.332 176.117 -0.127 0.000 1.038 425 I CA -0.516 60.724 61.300 -0.100 0.000 1.083 425 I CB 1.545 39.481 38.000 -0.107 0.000 1.223 425 I HN 0.420 nan 8.210 nan 0.000 0.443 426 L N 8.536 129.681 121.223 -0.130 0.000 2.281 426 L HA 0.454 4.832 4.340 0.064 0.000 0.285 426 L C -0.580 176.162 176.870 -0.214 0.000 1.074 426 L CA 0.100 54.853 54.840 -0.145 0.000 0.817 426 L CB 1.136 43.142 42.059 -0.088 0.000 1.168 426 L HN 0.295 nan 8.230 nan 0.000 0.434 427 V N 6.705 126.421 119.914 -0.331 0.000 2.378 427 V HA 0.698 4.856 4.120 0.064 0.000 0.288 427 V C 0.010 175.986 176.094 -0.197 0.000 1.016 427 V CA -0.656 61.412 62.300 -0.386 0.000 0.840 427 V CB 1.189 32.564 31.823 -0.746 0.000 0.994 427 V HN 0.751 nan 8.190 nan 0.000 0.431 428 R N 2.662 123.094 120.500 -0.112 0.000 2.799 428 R HA 0.424 4.802 4.340 0.064 0.000 0.270 428 R C 0.431 176.723 176.300 -0.014 0.000 1.010 428 R CA -0.862 55.228 56.100 -0.016 0.000 0.916 428 R CB 1.880 32.181 30.300 0.002 0.000 1.228 428 R HN 0.529 nan 8.270 nan 0.000 0.469 429 L N 1.158 122.393 121.223 0.019 0.000 2.017 429 L HA -0.094 4.284 4.340 0.064 0.000 0.208 429 L C 0.274 177.153 176.870 0.016 0.000 1.073 429 L CA 2.052 56.904 54.840 0.019 0.000 0.745 429 L CB -0.162 41.915 42.059 0.031 0.000 0.894 429 L HN 0.815 nan 8.230 nan 0.000 0.432 430 E N -2.932 117.282 120.200 0.023 0.000 2.422 430 E HA 0.428 4.816 4.350 0.064 0.000 0.280 430 E C -0.885 175.738 176.600 0.040 0.000 1.091 430 E CA -0.313 56.108 56.400 0.036 0.000 0.849 430 E CB 0.549 30.273 29.700 0.040 0.000 1.353 430 E HN 0.072 nan 8.360 nan 0.000 0.449 431 T N -1.326 113.276 114.554 0.081 0.000 2.948 431 T HA 0.788 5.176 4.350 0.064 0.000 0.285 431 T C 0.042 174.705 174.700 -0.061 0.000 1.019 431 T CA -0.210 61.948 62.100 0.096 0.000 1.013 431 T CB 1.389 70.403 68.868 0.242 0.000 1.117 431 T HN 0.833 nan 8.240 nan 0.000 0.533 432 S N -0.383 115.185 115.700 -0.219 0.000 2.651 432 S HA 0.581 5.089 4.470 0.064 0.000 0.279 432 S C -2.509 171.847 174.600 -0.407 0.000 1.148 432 S CA -1.491 56.368 58.200 -0.569 0.000 0.837 432 S CB 1.339 64.390 63.200 -0.249 0.000 1.138 432 S HN 0.404 nan 8.310 nan 0.000 0.478 433 P HA -0.161 nan 4.420 nan 0.000 0.218 433 P C 0.756 178.067 177.300 0.018 0.000 1.152 433 P CA 1.660 64.742 63.100 -0.030 0.000 0.857 433 P CB -0.068 31.599 31.700 -0.054 0.000 0.787 434 E N -0.841 119.344 120.200 -0.025 0.000 2.265 434 E HA -0.143 4.245 4.350 0.064 0.000 0.196 434 E C 1.229 177.844 176.600 0.025 0.000 0.996 434 E CA 1.047 57.446 56.400 -0.002 0.000 0.832 434 E CB -0.861 28.827 29.700 -0.019 0.000 0.756 434 E HN 0.399 nan 8.360 nan 0.000 0.491 435 D N 0.131 120.555 120.400 0.041 0.000 2.340 435 D HA 0.017 4.695 4.640 0.064 0.000 0.220 435 D C 1.736 178.091 176.300 0.091 0.000 1.039 435 D CA -0.039 53.998 54.000 0.061 0.000 0.866 435 D CB -0.026 40.813 40.800 0.065 0.000 0.913 435 D HN 0.194 nan 8.370 nan 0.000 0.523 436 I N 1.380 122.025 120.570 0.126 0.000 2.113 436 I HA -0.387 3.821 4.170 0.064 0.000 0.242 436 I C 1.909 178.096 176.117 0.117 0.000 1.057 436 I CA 1.732 63.124 61.300 0.153 0.000 1.314 436 I CB 0.185 38.301 38.000 0.194 0.000 1.022 436 I HN -0.022 nan 8.210 nan 0.000 0.408 437 E N 0.083 120.328 120.200 0.074 0.000 2.077 437 E HA -0.192 4.196 4.350 0.064 0.000 0.193 437 E C 2.072 178.709 176.600 0.061 0.000 0.989 437 E CA 1.208 57.638 56.400 0.049 0.000 0.800 437 E CB -0.394 29.312 29.700 0.009 0.000 0.746 437 E HN 0.727 nan 8.360 nan 0.000 0.452 438 G N 0.798 109.620 108.800 0.036 0.000 2.422 438 G HA2 -0.221 3.777 3.960 0.064 0.000 0.218 438 G HA3 -0.221 3.777 3.960 0.064 0.000 0.218 438 G C 1.527 176.421 174.900 -0.011 0.000 1.140 438 G CA 0.398 45.501 45.100 0.004 0.000 0.775 438 G HN 0.090 nan 8.290 nan 0.000 0.545 439 M N -0.410 119.203 119.600 0.022 0.000 2.229 439 M HA -0.005 4.513 4.480 0.064 0.000 0.264 439 M C 2.272 178.548 176.300 -0.040 0.000 1.063 439 M CA 0.871 56.169 55.300 -0.004 0.000 1.114 439 M CB -0.254 32.368 32.600 0.037 0.000 1.387 439 M HN 0.243 nan 8.290 nan 0.000 0.420 440 H N 0.079 119.108 119.070 -0.067 0.000 2.502 440 H HA 0.099 4.693 4.556 0.064 0.000 0.283 440 H C 1.712 176.955 175.328 -0.141 0.000 1.015 440 H CA 1.558 57.553 56.048 -0.088 0.000 1.298 440 H CB 0.402 30.122 29.762 -0.070 0.000 1.411 440 H HN 0.334 nan 8.280 nan 0.000 0.556 441 A N 0.614 123.390 122.820 -0.072 0.000 2.081 441 A HA 0.394 4.752 4.320 0.064 0.000 0.214 441 A C 1.417 178.674 177.584 -0.545 0.000 1.158 441 A CA 0.472 52.342 52.037 -0.279 0.000 0.724 441 A CB -0.260 18.674 19.000 -0.110 0.000 0.826 441 A HN 0.401 nan 8.150 nan 0.000 0.463 442 A N -0.069 122.560 122.820 -0.320 0.000 2.340 442 A HA 0.486 4.844 4.320 0.064 0.000 0.268 442 A C 0.915 178.332 177.584 -0.277 0.000 1.100 442 A CA -0.326 51.544 52.037 -0.279 0.000 0.803 442 A CB 0.376 19.273 19.000 -0.172 0.000 1.043 442 A HN 0.259 nan 8.150 nan 0.000 0.488 443 E N 0.973 121.036 120.200 -0.230 0.000 2.072 443 E HA 0.027 4.415 4.350 0.064 0.000 0.191 443 E C 1.009 177.495 176.600 -0.190 0.000 0.985 443 E CA 1.460 57.735 56.400 -0.208 0.000 0.801 443 E CB -0.124 29.488 29.700 -0.147 0.000 0.750 443 E HN 0.793 nan 8.360 nan 0.000 0.452 444 G N -0.269 108.443 108.800 -0.146 0.000 2.684 444 G HA2 0.626 4.624 3.960 0.064 0.000 0.290 444 G HA3 0.626 4.624 3.960 0.064 0.000 0.290 444 G C -1.284 173.554 174.900 -0.103 0.000 1.425 444 G CA -0.741 44.291 45.100 -0.114 0.000 0.822 444 G HN -0.020 nan 8.290 nan 0.000 0.482 445 I N 0.225 120.744 120.570 -0.085 0.000 2.498 445 I HA 0.437 4.645 4.170 0.064 0.000 0.290 445 I C -1.233 174.835 176.117 -0.081 0.000 1.032 445 I CA -0.803 60.447 61.300 -0.084 0.000 1.073 445 I CB 2.291 40.254 38.000 -0.061 0.000 1.251 445 I HN 0.321 nan 8.210 nan 0.000 0.426 446 L N 7.010 128.162 121.223 -0.118 0.000 2.343 446 L HA 0.663 5.041 4.340 0.064 0.000 0.278 446 L C -0.178 176.609 176.870 -0.139 0.000 0.996 446 L CA 0.141 54.901 54.840 -0.134 0.000 0.831 446 L CB 1.672 43.608 42.059 -0.204 0.000 1.232 446 L HN 0.715 nan 8.230 nan 0.000 0.413 447 T N 1.199 115.702 114.554 -0.086 0.000 2.912 447 T HA 0.537 4.925 4.350 0.064 0.000 0.288 447 T C 0.953 175.622 174.700 -0.052 0.000 1.030 447 T CA -0.597 61.466 62.100 -0.062 0.000 1.020 447 T CB 1.630 70.488 68.868 -0.016 0.000 1.056 447 T HN 0.243 nan 8.240 nan 0.000 0.480 448 V N 0.905 120.796 119.914 -0.038 0.000 2.346 448 V HA 0.097 4.255 4.120 0.064 0.000 0.244 448 V C 1.422 177.519 176.094 0.004 0.000 1.037 448 V CA 1.218 63.508 62.300 -0.018 0.000 1.029 448 V CB -0.851 30.970 31.823 -0.004 0.000 0.663 448 V HN 0.978 nan 8.190 nan 0.000 0.454 449 R N -0.022 120.487 120.500 0.015 0.000 2.892 449 R HA 0.677 5.056 4.340 0.064 0.000 0.265 449 R C -0.242 176.076 176.300 0.030 0.000 1.025 449 R CA 0.076 56.192 56.100 0.027 0.000 0.982 449 R CB 1.927 32.251 30.300 0.039 0.000 1.185 449 R HN 0.446 nan 8.270 nan 0.000 0.484 450 G N -0.353 108.466 108.800 0.032 0.000 2.906 450 G HA2 0.234 4.232 3.960 0.064 0.000 0.686 450 G HA3 0.234 4.232 3.960 0.064 0.000 0.686 450 G C -0.503 174.416 174.900 0.032 0.000 1.170 450 G CA -0.511 44.611 45.100 0.037 0.000 0.775 450 G HN 0.899 nan 8.290 nan 0.000 0.630 451 G N -0.058 108.761 108.800 0.032 0.000 2.940 451 G HA2 0.605 4.603 3.960 0.064 0.000 0.164 451 G HA3 0.605 4.603 3.960 0.064 0.000 0.164 451 G C 1.476 176.408 174.900 0.053 0.000 1.326 451 G CA 0.083 45.199 45.100 0.027 0.000 1.020 451 G HN 0.660 nan 8.290 nan 0.000 0.586 452 M N 1.026 120.654 119.600 0.046 0.000 2.435 452 M HA -0.042 4.476 4.480 0.064 0.000 0.262 452 M C 1.934 178.353 176.300 0.199 0.000 1.065 452 M CA 1.668 57.031 55.300 0.106 0.000 1.076 452 M CB -1.231 31.355 32.600 -0.024 0.000 1.403 452 M HN 0.593 nan 8.290 nan 0.000 0.454 453 T N -2.930 111.718 114.554 0.158 0.000 3.252 453 T HA 0.246 4.634 4.350 0.064 0.000 0.286 453 T C 0.541 175.320 174.700 0.132 0.000 1.013 453 T CA -0.208 62.008 62.100 0.194 0.000 0.914 453 T CB -0.154 68.822 68.868 0.180 0.000 1.131 453 T HN 0.271 nan 8.240 nan 0.000 0.529 454 S N 0.054 115.819 115.700 0.109 0.000 2.624 454 S HA 0.231 4.739 4.470 0.064 0.000 0.263 454 S C 1.138 175.815 174.600 0.127 0.000 1.287 454 S CA -0.626 57.638 58.200 0.107 0.000 0.990 454 S CB 0.563 63.815 63.200 0.087 0.000 0.950 454 S HN 0.398 nan 8.310 nan 0.000 0.561 455 H N 1.083 120.183 119.070 0.050 0.000 2.289 455 H HA -0.169 4.425 4.556 0.063 0.000 0.296 455 H C 2.240 177.600 175.328 0.054 0.000 1.091 455 H CA 2.168 58.245 56.048 0.050 0.000 1.274 455 H CB -0.712 29.070 29.762 0.033 0.000 1.364 455 H HN 0.801 nan 8.280 nan 0.000 0.490 456 A N 1.099 123.965 122.820 0.076 0.000 1.908 456 A HA -0.141 4.217 4.320 0.064 0.000 0.218 456 A C 2.715 180.291 177.584 -0.014 0.000 1.181 456 A CA 1.987 54.035 52.037 0.018 0.000 0.627 456 A CB -1.047 17.982 19.000 0.049 0.000 0.818 456 A HN 0.609 nan 8.150 nan 0.000 0.445 457 A N -0.188 122.645 122.820 0.022 0.000 1.858 457 A HA -0.001 4.357 4.320 0.064 0.000 0.216 457 A C 2.419 180.021 177.584 0.031 0.000 1.190 457 A CA 2.384 54.444 52.037 0.039 0.000 0.617 457 A CB -1.293 17.758 19.000 0.085 0.000 0.827 457 A HN 1.231 nan 8.150 nan 0.000 0.443 458 V N -1.824 118.113 119.914 0.039 0.000 2.379 458 V HA -0.123 4.035 4.120 0.064 0.000 0.245 458 V C 2.112 178.202 176.094 -0.007 0.000 1.044 458 V CA 2.242 64.577 62.300 0.058 0.000 1.036 458 V CB -1.047 30.847 31.823 0.119 0.000 0.664 458 V HN 0.198 nan 8.190 nan 0.000 0.453 459 V N 1.107 120.955 119.914 -0.110 0.000 2.626 459 V HA -0.092 4.066 4.120 0.064 0.000 0.252 459 V C 3.050 179.125 176.094 -0.032 0.000 1.067 459 V CA 2.014 64.259 62.300 -0.093 0.000 1.081 459 V CB -1.188 30.500 31.823 -0.224 0.000 0.686 459 V HN 0.705 nan 8.190 nan 0.000 0.468 460 A N -0.099 122.696 122.820 -0.042 0.000 1.898 460 A HA -0.132 4.226 4.320 0.064 0.000 0.214 460 A C 2.330 179.894 177.584 -0.032 0.000 1.183 460 A CA 1.372 53.384 52.037 -0.040 0.000 0.622 460 A CB -0.455 18.518 19.000 -0.043 0.000 0.824 460 A HN 0.411 nan 8.150 nan 0.000 0.444 461 R N -0.368 120.117 120.500 -0.024 0.000 2.119 461 R HA -0.162 4.216 4.340 0.064 0.000 0.246 461 R C 2.220 178.510 176.300 -0.017 0.000 1.146 461 R CA 1.807 57.887 56.100 -0.034 0.000 0.962 461 R CB -0.764 29.504 30.300 -0.054 0.000 0.863 461 R HN 0.528 nan 8.270 nan 0.000 0.442 462 G N -0.090 108.715 108.800 0.007 0.000 2.446 462 G HA2 -0.283 3.715 3.960 0.064 0.000 0.217 462 G HA3 -0.283 3.715 3.960 0.064 0.000 0.217 462 G C 1.314 176.219 174.900 0.008 0.000 1.168 462 G CA 1.103 46.220 45.100 0.028 0.000 0.771 462 G HN 0.273 nan 8.290 nan 0.000 0.551 463 M N 0.087 119.680 119.600 -0.012 0.000 2.492 463 M HA 0.200 4.718 4.480 0.064 0.000 0.262 463 M C 1.775 178.051 176.300 -0.041 0.000 1.090 463 M CA 0.848 56.122 55.300 -0.044 0.000 1.110 463 M CB 0.276 32.821 32.600 -0.092 0.000 1.407 463 M HN 0.379 nan 8.290 nan 0.000 0.470 464 G N 1.302 110.088 108.800 -0.024 0.000 2.149 464 G HA2 -0.183 3.815 3.960 0.064 0.000 0.235 464 G HA3 -0.183 3.815 3.960 0.064 0.000 0.235 464 G C -0.119 174.768 174.900 -0.021 0.000 1.018 464 G CA 0.084 45.192 45.100 0.013 0.000 0.728 464 G HN 0.391 nan 8.290 nan 0.000 0.508 465 T N 0.198 114.702 114.554 -0.082 0.000 2.797 465 T HA 0.461 4.849 4.350 0.064 0.000 0.279 465 T C 0.729 175.363 174.700 -0.110 0.000 0.991 465 T CA 0.139 62.153 62.100 -0.143 0.000 0.979 465 T CB 1.805 70.575 68.868 -0.164 0.000 0.943 465 T HN 0.987 nan 8.240 nan 0.000 0.444 466 C N 3.606 122.828 119.300 -0.129 0.000 2.563 466 C HA 0.410 4.908 4.460 0.064 0.000 0.411 466 C C 0.654 175.609 174.990 -0.058 0.000 1.386 466 C CA -0.364 58.606 59.018 -0.080 0.000 1.703 466 C CB -1.667 26.023 27.740 -0.084 0.000 2.596 466 C HN 1.053 nan 8.230 nan 0.000 0.605 467 C N 6.552 125.836 119.300 -0.027 0.000 2.871 467 C HA 0.627 5.125 4.460 0.064 0.000 0.378 467 C C -0.909 174.082 174.990 0.002 0.000 1.052 467 C CA -0.470 58.536 59.018 -0.020 0.000 1.250 467 C CB 0.462 28.191 27.740 -0.018 0.000 1.689 467 C HN 0.885 nan 8.230 nan 0.000 0.506 468 V N 6.131 126.042 119.914 -0.005 0.000 2.409 468 V HA 0.777 4.935 4.120 0.064 0.000 0.291 468 V C 0.229 176.317 176.094 -0.010 0.000 1.020 468 V CA 0.076 62.378 62.300 0.003 0.000 0.848 468 V CB 1.850 33.674 31.823 0.001 0.000 0.990 468 V HN 1.037 nan 8.190 nan 0.000 0.430 469 S N 2.934 118.636 115.700 0.003 0.000 2.599 469 S HA 0.827 5.335 4.470 0.064 0.000 0.294 469 S C 0.571 175.174 174.600 0.005 0.000 1.094 469 S CA 0.106 58.308 58.200 0.002 0.000 0.931 469 S CB 1.987 65.197 63.200 0.018 0.000 1.093 469 S HN 2.190 nan 8.310 nan 0.000 0.488 470 G N -0.189 108.613 108.800 0.003 0.000 2.136 470 G HA2 -0.249 3.749 3.960 0.064 0.000 0.242 470 G HA3 -0.249 3.749 3.960 0.064 0.000 0.242 470 G C 0.431 175.333 174.900 0.003 0.000 0.989 470 G CA -0.118 44.987 45.100 0.008 0.000 0.682 470 G HN 1.567 nan 8.290 nan 0.000 0.522 471 C N 2.332 121.627 119.300 -0.008 0.000 2.612 471 C HA 0.529 5.027 4.460 0.064 0.000 0.403 471 C C 2.291 177.284 174.990 0.004 0.000 1.056 471 C CA 0.562 59.576 59.018 -0.007 0.000 1.256 471 C CB -1.482 26.244 27.740 -0.022 0.000 1.741 471 C HN 0.909 nan 8.230 nan 0.000 0.542 472 G N 3.070 111.877 108.800 0.012 0.000 2.527 472 G HA2 -0.153 3.845 3.960 0.064 0.000 0.219 472 G HA3 -0.153 3.845 3.960 0.064 0.000 0.219 472 G C 1.289 176.204 174.900 0.024 0.000 1.117 472 G CA 0.552 45.663 45.100 0.019 0.000 0.759 472 G HN 0.731 nan 8.290 nan 0.000 0.556 473 E N 0.011 120.228 120.200 0.028 0.000 2.274 473 E HA 0.065 4.453 4.350 0.064 0.000 0.194 473 E C 1.153 177.794 176.600 0.069 0.000 0.996 473 E CA -0.019 56.405 56.400 0.041 0.000 0.840 473 E CB -0.035 29.688 29.700 0.039 0.000 0.772 473 E HN 0.491 nan 8.360 nan 0.000 0.491 474 I N 1.271 121.885 120.570 0.074 0.000 2.575 474 I HA 0.044 4.252 4.170 0.064 0.000 0.285 474 I C 0.594 176.779 176.117 0.113 0.000 1.085 474 I CA -0.087 61.289 61.300 0.126 0.000 1.403 474 I CB 0.587 38.632 38.000 0.074 0.000 1.409 474 I HN -0.261 nan 8.210 nan 0.000 0.557 475 K N 6.959 127.459 120.400 0.167 0.000 2.575 475 K HA 0.454 4.812 4.320 0.064 0.000 0.236 475 K C -0.751 175.948 176.600 0.166 0.000 0.976 475 K CA -0.561 55.800 56.287 0.123 0.000 0.985 475 K CB 1.035 33.590 32.500 0.092 0.000 1.198 475 K HN 0.431 nan 8.250 nan 0.000 0.464 476 I N 1.913 122.559 120.570 0.127 0.000 2.519 476 I HA 0.138 4.346 4.170 0.064 0.000 0.287 476 I C 0.623 176.757 176.117 0.028 0.000 1.047 476 I CA -0.319 61.057 61.300 0.126 0.000 1.381 476 I CB 0.784 38.846 38.000 0.103 0.000 1.417 476 I HN 0.352 nan 8.210 nan 0.000 0.540 477 N N 4.954 123.612 118.700 -0.069 0.000 2.851 477 N HA 0.151 4.930 4.740 0.064 0.000 0.248 477 N C 0.745 176.113 175.510 -0.237 0.000 1.221 477 N CA -0.238 52.736 53.050 -0.127 0.000 0.847 477 N CB 0.592 39.002 38.487 -0.130 0.000 1.150 477 N HN 0.455 nan 8.380 nan 0.000 0.507 478 E N 0.530 120.648 120.200 -0.138 0.000 2.058 478 E HA -0.268 4.120 4.350 0.064 0.000 0.194 478 E C 0.835 177.366 176.600 -0.115 0.000 0.997 478 E CA 1.215 57.548 56.400 -0.113 0.000 0.801 478 E CB 0.234 29.924 29.700 -0.017 0.000 0.746 478 E HN 0.532 nan 8.360 nan 0.000 0.450 479 E N 0.882 121.032 120.200 -0.084 0.000 2.085 479 E HA -0.172 4.216 4.350 0.064 0.000 0.194 479 E C 1.550 178.100 176.600 -0.084 0.000 0.994 479 E CA 1.654 58.016 56.400 -0.064 0.000 0.801 479 E CB -0.081 29.591 29.700 -0.047 0.000 0.743 479 E HN 0.239 nan 8.360 nan 0.000 0.453 480 A N -0.492 122.252 122.820 -0.128 0.000 2.348 480 A HA 0.223 4.582 4.320 0.064 0.000 0.224 480 A C -0.056 177.406 177.584 -0.204 0.000 1.227 480 A CA 0.275 52.234 52.037 -0.130 0.000 0.885 480 A CB -0.039 18.895 19.000 -0.111 0.000 0.933 480 A HN 0.192 nan 8.150 nan 0.000 0.506 481 K N 0.672 120.853 120.400 -0.366 0.000 3.372 481 K HA -0.135 4.223 4.320 0.064 0.000 0.272 481 K C -0.448 175.683 176.600 -0.782 0.000 1.037 481 K CA 0.893 56.772 56.287 -0.680 0.000 0.777 481 K CB -2.447 29.956 32.500 -0.162 0.000 1.347 481 K HN 0.792 nan 8.250 nan 0.000 0.460 482 T N -1.772 112.286 114.554 -0.827 0.000 2.821 482 T HA 0.787 5.175 4.350 0.064 0.000 0.306 482 T C -0.845 173.868 174.700 0.022 0.000 1.313 482 T CA -1.094 60.863 62.100 -0.239 0.000 1.012 482 T CB 1.771 70.566 68.868 -0.123 0.000 1.298 482 T HN 0.430 nan 8.240 nan 0.000 0.502 483 F N -1.410 118.607 119.950 0.112 0.000 2.628 483 F HA 0.773 5.338 4.527 0.063 0.000 0.309 483 F C -1.173 174.741 175.800 0.189 0.000 1.108 483 F CA -1.074 57.011 58.000 0.143 0.000 0.971 483 F CB 1.535 40.679 39.000 0.240 0.000 1.279 483 F HN 0.652 nan 8.300 nan 0.000 0.441 484 E N 3.385 123.695 120.200 0.184 0.000 2.134 484 E HA 0.561 4.949 4.350 0.064 0.000 0.278 484 E C -1.687 175.028 176.600 0.191 0.000 0.959 484 E CA -0.875 55.590 56.400 0.108 0.000 0.783 484 E CB 2.299 32.046 29.700 0.077 0.000 1.095 484 E HN 0.659 nan 8.360 nan 0.000 0.399 485 L N 2.624 123.960 121.223 0.188 0.000 2.455 485 L HA 0.494 4.872 4.340 0.064 0.000 0.264 485 L C 0.577 177.556 176.870 0.181 0.000 0.968 485 L CA 0.327 55.281 54.840 0.190 0.000 0.827 485 L CB 1.628 43.807 42.059 0.199 0.000 1.317 485 L HN 0.696 nan 8.230 nan 0.000 0.407 486 G N 3.487 112.358 108.800 0.119 0.000 2.699 486 G HA2 -0.416 3.582 3.960 0.064 0.000 0.347 486 G HA3 -0.416 3.582 3.960 0.064 0.000 0.347 486 G C 0.873 175.835 174.900 0.102 0.000 1.225 486 G CA 0.854 46.010 45.100 0.094 0.000 0.973 486 G HN 1.503 nan 8.290 nan 0.000 0.551 487 G N -1.073 107.792 108.800 0.108 0.000 2.408 487 G HA2 0.245 4.243 3.960 0.064 0.000 0.217 487 G HA3 0.245 4.243 3.960 0.064 0.000 0.217 487 G C 0.853 175.820 174.900 0.112 0.000 1.150 487 G CA 1.774 46.916 45.100 0.070 0.000 0.776 487 G HN 0.985 nan 8.290 nan 0.000 0.542 488 H N -2.196 116.881 119.070 0.013 0.000 2.959 488 H HA 0.409 5.003 4.556 0.064 0.000 0.296 488 H C -0.863 174.407 175.328 -0.097 0.000 1.421 488 H CA -0.873 55.103 56.048 -0.118 0.000 1.206 488 H CB 1.852 31.417 29.762 -0.330 0.000 1.891 488 H HN -0.001 nan 8.280 nan 0.000 0.573 489 T N 2.174 116.423 114.554 -0.510 0.000 2.743 489 T HA 0.256 4.644 4.350 0.064 0.000 0.292 489 T C -0.934 173.424 174.700 -0.570 0.000 0.972 489 T CA -0.359 61.476 62.100 -0.442 0.000 0.967 489 T CB -0.357 68.232 68.868 -0.464 0.000 0.926 489 T HN 0.141 nan 8.240 nan 0.000 0.459 490 F N 2.425 122.024 119.950 -0.584 0.000 2.408 490 F HA 0.635 5.199 4.527 0.063 0.000 0.344 490 F C 0.703 176.410 175.800 -0.156 0.000 1.112 490 F CA -1.055 56.665 58.000 -0.467 0.000 1.096 490 F CB 0.850 39.341 39.000 -0.848 0.000 1.129 490 F HN 0.562 nan 8.300 nan 0.000 0.486 491 A N 2.525 125.388 122.820 0.071 0.000 2.294 491 A HA 0.450 4.808 4.320 0.064 0.000 0.330 491 A C -0.094 177.617 177.584 0.210 0.000 1.133 491 A CA -0.763 51.341 52.037 0.112 0.000 0.836 491 A CB 0.506 19.505 19.000 -0.002 0.000 1.190 491 A HN 0.776 nan 8.150 nan 0.000 0.492 492 E N -0.225 120.121 120.200 0.244 0.000 2.565 492 E HA 0.222 4.610 4.350 0.064 0.000 0.268 492 E C 1.405 177.944 176.600 -0.101 0.000 1.000 492 E CA 1.629 58.074 56.400 0.075 0.000 0.964 492 E CB 0.097 29.820 29.700 0.039 0.000 0.955 492 E HN 1.538 nan 8.360 nan 0.000 0.459 493 G N 3.659 112.248 108.800 -0.352 0.000 2.363 493 G HA2 -0.285 3.713 3.960 0.064 0.000 0.238 493 G HA3 -0.285 3.713 3.960 0.064 0.000 0.238 493 G C -0.223 174.679 174.900 0.003 0.000 1.062 493 G CA 0.241 45.249 45.100 -0.152 0.000 0.629 493 G HN 0.696 nan 8.290 nan 0.000 0.514 494 D N 0.800 121.248 120.400 0.079 0.000 2.525 494 D HA 0.309 4.987 4.640 0.064 0.000 0.235 494 D C 0.435 176.883 176.300 0.246 0.000 1.137 494 D CA 0.310 54.434 54.000 0.207 0.000 0.868 494 D CB 0.272 41.217 40.800 0.242 0.000 1.180 494 D HN 0.281 nan 8.370 nan 0.000 0.465 495 Y N 0.915 121.313 120.300 0.163 0.000 2.301 495 Y HA 0.357 4.945 4.550 0.063 0.000 0.328 495 Y C 0.921 176.958 175.900 0.229 0.000 1.242 495 Y CA -0.290 57.909 58.100 0.165 0.000 1.323 495 Y CB 0.695 39.234 38.460 0.132 0.000 1.266 495 Y HN 0.229 nan 8.280 nan 0.000 0.527 496 I N -1.558 119.196 120.570 0.306 0.000 2.842 496 I HA 0.645 4.853 4.170 0.064 0.000 0.297 496 I C -1.323 174.935 176.117 0.235 0.000 1.380 496 I CA -0.681 60.773 61.300 0.258 0.000 1.018 496 I CB 2.370 40.446 38.000 0.127 0.000 1.311 496 I HN 0.331 nan 8.210 nan 0.000 0.439 497 S N 4.450 120.319 115.700 0.282 0.000 2.566 497 S HA 0.866 5.374 4.470 0.064 0.000 0.298 497 S C -0.720 174.102 174.600 0.371 0.000 1.083 497 S CA -0.764 57.645 58.200 0.348 0.000 0.978 497 S CB 1.936 65.370 63.200 0.390 0.000 1.073 497 S HN 0.532 nan 8.310 nan 0.000 0.491 498 L N 1.579 123.034 121.223 0.386 0.000 2.401 498 L HA 0.561 4.939 4.340 0.064 0.000 0.266 498 L C -1.199 175.922 176.870 0.419 0.000 0.991 498 L CA -0.780 54.242 54.840 0.304 0.000 0.818 498 L CB 1.881 44.020 42.059 0.134 0.000 1.321 498 L HN 0.502 nan 8.230 nan 0.000 0.413 499 D N 1.381 122.004 120.400 0.370 0.000 2.462 499 D HA 0.250 4.928 4.640 0.064 0.000 0.249 499 D C 1.012 177.425 176.300 0.188 0.000 1.117 499 D CA -0.397 53.827 54.000 0.372 0.000 0.900 499 D CB 1.784 42.808 40.800 0.374 0.000 1.039 499 D HN 0.678 nan 8.370 nan 0.000 0.516 500 G N 1.834 110.708 108.800 0.124 0.000 2.653 500 G HA2 -0.138 3.860 3.960 0.064 0.000 0.212 500 G HA3 -0.138 3.860 3.960 0.064 0.000 0.212 500 G C 1.164 176.104 174.900 0.066 0.000 1.138 500 G CA 0.200 45.341 45.100 0.068 0.000 0.782 500 G HN 0.427 nan 8.290 nan 0.000 0.535 501 S N -0.672 115.081 115.700 0.088 0.000 2.475 501 S HA -0.013 4.495 4.470 0.064 0.000 0.224 501 S C 2.471 177.117 174.600 0.077 0.000 1.042 501 S CA 1.216 59.460 58.200 0.074 0.000 0.935 501 S CB 0.212 63.459 63.200 0.077 0.000 0.801 501 S HN 0.622 nan 8.310 nan 0.000 0.509 502 T N -2.344 112.266 114.554 0.093 0.000 2.985 502 T HA 0.421 4.809 4.350 0.064 0.000 0.254 502 T C 1.438 176.174 174.700 0.059 0.000 1.021 502 T CA 0.911 63.057 62.100 0.077 0.000 0.957 502 T CB 0.457 69.378 68.868 0.088 0.000 1.047 502 T HN 0.486 nan 8.240 nan 0.000 0.511 503 G N 1.791 110.629 108.800 0.065 0.000 2.159 503 G HA2 -0.242 3.756 3.960 0.064 0.000 0.256 503 G HA3 -0.242 3.756 3.960 0.064 0.000 0.256 503 G C -0.094 174.810 174.900 0.008 0.000 0.977 503 G CA 0.165 45.288 45.100 0.038 0.000 0.652 503 G HN 0.677 nan 8.290 nan 0.000 0.531 504 K N -0.132 120.276 120.400 0.013 0.000 2.249 504 K HA 0.561 4.919 4.320 0.064 0.000 0.280 504 K C -0.175 176.314 176.600 -0.185 0.000 1.033 504 K CA -0.537 55.675 56.287 -0.125 0.000 0.946 504 K CB 0.998 33.399 32.500 -0.164 0.000 1.005 504 K HN 0.115 nan 8.250 nan 0.000 0.469 505 I N 3.169 123.544 120.570 -0.325 0.000 2.377 505 I HA 0.271 4.479 4.170 0.064 0.000 0.293 505 I C -0.715 175.155 176.117 -0.410 0.000 0.987 505 I CA -0.588 60.583 61.300 -0.215 0.000 1.185 505 I CB 0.630 38.564 38.000 -0.109 0.000 1.341 505 I HN 0.401 nan 8.210 nan 0.000 0.455 506 Y N 3.562 123.868 120.300 0.011 0.000 2.485 506 Y HA 0.499 5.088 4.550 0.064 0.000 0.345 506 Y C 0.347 176.309 175.900 0.103 0.000 0.998 506 Y CA -0.987 57.130 58.100 0.029 0.000 1.059 506 Y CB 1.624 40.065 38.460 -0.032 0.000 1.234 506 Y HN 0.388 nan 8.280 nan 0.000 0.461 507 K N 1.760 122.349 120.400 0.313 0.000 2.298 507 K HA 0.502 4.860 4.320 0.064 0.000 0.280 507 K C 0.401 177.183 176.600 0.302 0.000 1.032 507 K CA 0.695 57.209 56.287 0.378 0.000 0.958 507 K CB 0.288 32.981 32.500 0.321 0.000 0.978 507 K HN 0.971 nan 8.250 nan 0.000 0.472 508 G N 2.644 111.641 108.800 0.328 0.000 2.725 508 G HA2 -0.236 3.762 3.960 0.064 0.000 0.220 508 G HA3 -0.236 3.762 3.960 0.064 0.000 0.220 508 G C -1.159 173.906 174.900 0.274 0.000 1.357 508 G CA -0.279 44.974 45.100 0.254 0.000 0.866 508 G HN 0.716 nan 8.290 nan 0.000 0.548 509 D N 0.666 121.175 120.400 0.182 0.000 2.473 509 D HA 0.446 5.124 4.640 0.064 0.000 0.226 509 D C 0.818 177.194 176.300 0.128 0.000 1.089 509 D CA -0.644 53.480 54.000 0.207 0.000 0.883 509 D CB 0.041 40.843 40.800 0.003 0.000 1.029 509 D HN 0.460 nan 8.370 nan 0.000 0.517 510 I N 2.153 122.823 120.570 0.167 0.000 2.529 510 I HA 0.107 4.315 4.170 0.064 0.000 0.284 510 I C 1.130 177.388 176.117 0.236 0.000 1.082 510 I CA -0.259 61.099 61.300 0.097 0.000 1.406 510 I CB 0.310 38.188 38.000 -0.205 0.000 1.405 510 I HN 0.412 nan 8.210 nan 0.000 0.548 511 E N 3.707 123.987 120.200 0.133 0.000 2.373 511 E HA 0.139 4.527 4.350 0.064 0.000 0.267 511 E C -0.491 176.227 176.600 0.196 0.000 1.032 511 E CA 0.048 56.523 56.400 0.125 0.000 0.889 511 E CB 0.928 30.662 29.700 0.057 0.000 0.984 511 E HN 0.699 nan 8.360 nan 0.000 0.425 512 T N 2.142 116.759 114.554 0.106 0.000 2.926 512 T HA 0.359 4.748 4.350 0.064 0.000 0.289 512 T C -0.821 173.891 174.700 0.020 0.000 1.054 512 T CA -0.544 61.581 62.100 0.043 0.000 1.015 512 T CB 1.536 70.334 68.868 -0.117 0.000 1.167 512 T HN 0.653 nan 8.240 nan 0.000 0.526 513 Q N 0.856 120.656 119.800 0.001 0.000 3.019 513 Q HA 0.477 4.856 4.340 0.064 0.000 0.337 513 Q C -1.022 174.966 176.000 -0.019 0.000 0.900 513 Q CA -0.946 54.859 55.803 0.004 0.000 0.800 513 Q CB 0.950 29.695 28.738 0.012 0.000 1.437 513 Q HN 0.692 nan 8.270 nan 0.000 0.505 514 E N 0.420 120.611 120.200 -0.016 0.000 2.289 514 E HA 0.438 4.826 4.350 0.064 0.000 0.278 514 E C -0.576 175.959 176.600 -0.108 0.000 1.032 514 E CA -0.098 56.265 56.400 -0.062 0.000 0.854 514 E CB 1.131 30.814 29.700 -0.029 0.000 1.046 514 E HN 0.604 nan 8.360 nan 0.000 0.409 515 A N 3.723 126.438 122.820 -0.175 0.000 2.475 515 A HA 0.162 4.520 4.320 0.064 0.000 0.239 515 A C 0.291 177.766 177.584 -0.181 0.000 1.087 515 A CA 0.013 51.945 52.037 -0.175 0.000 0.779 515 A CB 0.548 19.414 19.000 -0.224 0.000 1.036 515 A HN 0.755 nan 8.150 nan 0.000 0.506 516 S N -1.694 113.914 115.700 -0.152 0.000 2.626 516 S HA 0.680 5.189 4.470 0.064 0.000 0.243 516 S C -0.401 174.081 174.600 -0.197 0.000 1.116 516 S CA 0.257 58.376 58.200 -0.135 0.000 1.089 516 S CB 0.737 63.888 63.200 -0.081 0.000 1.180 516 S HN 1.495 nan 8.310 nan 0.000 0.523 517 V N -0.228 119.594 119.914 -0.154 0.000 2.697 517 V HA 0.457 4.615 4.120 0.064 0.000 0.296 517 V C -0.536 175.526 176.094 -0.054 0.000 1.140 517 V CA -0.926 61.251 62.300 -0.204 0.000 0.921 517 V CB 0.975 32.605 31.823 -0.322 0.000 1.036 517 V HN 0.547 nan 8.190 nan 0.000 0.438 518 S N 2.929 118.610 115.700 -0.033 0.000 2.552 518 S HA 0.446 4.954 4.470 0.064 0.000 0.289 518 S C 1.047 175.701 174.600 0.090 0.000 1.304 518 S CA 0.599 58.817 58.200 0.030 0.000 1.063 518 S CB 0.891 64.105 63.200 0.024 0.000 0.848 518 S HN 1.431 nan 8.310 nan 0.000 0.499 519 G N 1.532 110.352 108.800 0.034 0.000 2.699 519 G HA2 0.372 4.370 3.960 0.064 0.000 0.246 519 G HA3 0.372 4.370 3.960 0.064 0.000 0.246 519 G C 0.692 175.579 174.900 -0.022 0.000 1.219 519 G CA 0.143 45.246 45.100 0.005 0.000 0.866 519 G HN 0.918 nan 8.290 nan 0.000 0.572 520 S N -1.095 114.538 115.700 -0.112 0.000 1.961 520 S HA -0.290 4.218 4.470 0.064 0.000 0.239 520 S C 1.229 175.718 174.600 -0.185 0.000 1.051 520 S CA 1.569 59.660 58.200 -0.183 0.000 1.476 520 S CB -1.516 61.625 63.200 -0.098 0.000 1.861 520 S HN 1.040 nan 8.310 nan 0.000 0.559 521 F N 2.804 122.662 119.950 -0.152 0.000 2.094 521 F HA 0.165 4.730 4.527 0.063 0.000 0.291 521 F C 2.151 177.860 175.800 -0.152 0.000 1.109 521 F CA 1.871 59.793 58.000 -0.131 0.000 1.221 521 F CB -0.409 38.532 39.000 -0.098 0.000 1.014 521 F HN 0.129 nan 8.300 nan 0.000 0.473 522 E N 0.699 120.749 120.200 -0.251 0.000 2.209 522 E HA -0.197 4.191 4.350 0.064 0.000 0.196 522 E C 2.268 178.630 176.600 -0.396 0.000 0.993 522 E CA 1.028 57.254 56.400 -0.291 0.000 0.819 522 E CB -0.372 29.299 29.700 -0.050 0.000 0.745 522 E HN 0.552 nan 8.360 nan 0.000 0.477 523 R N -0.060 120.170 120.500 -0.451 0.000 2.100 523 R HA 0.046 4.424 4.340 0.064 0.000 0.220 523 R C 2.374 178.066 176.300 -1.014 0.000 1.091 523 R CA 0.459 56.153 56.100 -0.677 0.000 0.986 523 R CB 0.033 29.921 30.300 -0.686 0.000 0.888 523 R HN 0.107 nan 8.270 nan 0.000 0.444 524 I N 0.806 120.915 120.570 -0.768 0.000 2.286 524 I HA -0.208 4.000 4.170 0.064 0.000 0.245 524 I C 2.317 178.223 176.117 -0.352 0.000 1.104 524 I CA 1.235 62.217 61.300 -0.531 0.000 1.397 524 I CB -0.655 37.160 38.000 -0.308 0.000 1.072 524 I HN 0.176 nan 8.210 nan 0.000 0.417 525 M N 0.171 119.462 119.600 -0.515 0.000 2.106 525 M HA -0.164 4.354 4.480 0.064 0.000 0.259 525 M C 2.476 178.644 176.300 -0.222 0.000 1.068 525 M CA 1.405 56.463 55.300 -0.404 0.000 1.100 525 M CB -1.248 30.984 32.600 -0.614 0.000 1.351 525 M HN 0.056 nan 8.290 nan 0.000 0.404 526 V N -1.497 118.269 119.914 -0.247 0.000 2.626 526 V HA -0.222 3.936 4.120 0.064 0.000 0.252 526 V C 2.039 178.150 176.094 0.029 0.000 1.067 526 V CA 1.258 63.493 62.300 -0.108 0.000 1.081 526 V CB -0.533 31.233 31.823 -0.094 0.000 0.686 526 V HN 0.443 nan 8.190 nan 0.000 0.468 527 W N -0.062 121.145 121.300 -0.156 0.000 2.443 527 W HA 0.131 4.829 4.660 0.063 0.000 0.296 527 W C 2.605 179.008 176.519 -0.192 0.000 1.202 527 W CA 0.631 57.865 57.345 -0.186 0.000 1.312 527 W CB -1.455 28.035 29.460 0.049 0.000 1.120 527 W HN 0.247 nan 8.180 nan 0.000 0.536 528 A N 0.948 123.865 122.820 0.162 0.000 1.841 528 A HA -0.226 4.132 4.320 0.064 0.000 0.216 528 A C 1.834 179.448 177.584 0.051 0.000 1.199 528 A CA 2.290 54.418 52.037 0.151 0.000 0.621 528 A CB -1.080 17.953 19.000 0.056 0.000 0.835 528 A HN 0.141 nan 8.150 nan 0.000 0.445 529 D N -0.440 119.951 120.400 -0.016 0.000 2.149 529 D HA -0.211 4.467 4.640 0.064 0.000 0.194 529 D C 1.808 178.057 176.300 -0.086 0.000 1.001 529 D CA 1.810 55.794 54.000 -0.027 0.000 0.849 529 D CB -0.331 40.447 40.800 -0.037 0.000 0.939 529 D HN 0.643 nan 8.370 nan 0.000 0.449 530 K N -0.154 120.113 120.400 -0.222 0.000 2.074 530 K HA -0.162 4.196 4.320 0.064 0.000 0.209 530 K C 1.683 178.027 176.600 -0.426 0.000 1.048 530 K CA 1.294 57.331 56.287 -0.416 0.000 0.926 530 K CB -0.142 31.932 32.500 -0.709 0.000 0.713 530 K HN 0.103 nan 8.250 nan 0.000 0.444 531 F N 0.915 120.897 119.950 0.054 0.000 2.656 531 F HA 0.174 4.739 4.527 0.063 0.000 0.291 531 F C 0.628 176.460 175.800 0.054 0.000 1.122 531 F CA -0.374 57.651 58.000 0.041 0.000 1.427 531 F CB -0.264 38.753 39.000 0.027 0.000 1.125 531 F HN -0.064 nan 8.300 nan 0.000 0.583 532 R N 1.110 121.732 120.500 0.202 0.000 2.590 532 R HA 0.188 4.567 4.340 0.064 0.000 0.274 532 R C 0.771 177.166 176.300 0.158 0.000 1.061 532 R CA 0.863 57.068 56.100 0.175 0.000 1.081 532 R CB 0.457 30.842 30.300 0.142 0.000 0.984 532 R HN 0.222 nan 8.270 nan 0.000 0.448 533 T N 0.894 115.569 114.554 0.202 0.000 3.023 533 T HA 0.153 4.541 4.350 0.064 0.000 0.249 533 T C 1.018 175.796 174.700 0.131 0.000 1.050 533 T CA -0.317 61.872 62.100 0.148 0.000 1.088 533 T CB 0.134 69.084 68.868 0.136 0.000 0.946 533 T HN 0.385 nan 8.240 nan 0.000 0.480 534 L N 1.971 123.302 121.223 0.179 0.000 2.483 534 L HA 0.288 4.666 4.340 0.064 0.000 0.276 534 L C 0.636 177.601 176.870 0.157 0.000 1.213 534 L CA -0.157 54.783 54.840 0.167 0.000 0.843 534 L CB 0.482 42.662 42.059 0.201 0.000 1.107 534 L HN 0.135 nan 8.230 nan 0.000 0.487 535 K N 1.525 122.032 120.400 0.179 0.000 2.090 535 K HA 0.616 4.974 4.320 0.064 0.000 0.249 535 K C -1.074 175.635 176.600 0.181 0.000 0.995 535 K CA -0.765 55.607 56.287 0.141 0.000 0.914 535 K CB 1.998 34.556 32.500 0.097 0.000 1.057 535 K HN 0.225 nan 8.250 nan 0.000 0.462 536 V N 2.318 122.306 119.914 0.123 0.000 2.483 536 V HA 0.395 4.554 4.120 0.064 0.000 0.297 536 V C -0.278 175.867 176.094 0.085 0.000 1.027 536 V CA -0.799 61.585 62.300 0.141 0.000 0.855 536 V CB 1.590 33.486 31.823 0.122 0.000 0.995 536 V HN 0.696 nan 8.190 nan 0.000 0.424 537 R N 1.425 121.990 120.500 0.108 0.000 2.923 537 R HA 0.804 5.183 4.340 0.064 0.000 0.252 537 R C -0.542 175.809 176.300 0.086 0.000 1.130 537 R CA -0.652 55.463 56.100 0.025 0.000 1.043 537 R CB 2.072 32.294 30.300 -0.131 0.000 1.205 537 R HN 0.667 nan 8.270 nan 0.000 0.495 538 T N -0.055 114.536 114.554 0.061 0.000 2.908 538 T HA 0.329 4.717 4.350 0.064 0.000 0.290 538 T C -1.061 173.685 174.700 0.077 0.000 1.034 538 T CA -0.865 61.278 62.100 0.072 0.000 1.010 538 T CB 0.827 69.724 68.868 0.048 0.000 1.068 538 T HN 0.353 nan 8.240 nan 0.000 0.481 539 N N 2.683 121.428 118.700 0.075 0.000 2.439 539 N HA 0.568 5.346 4.740 0.064 0.000 0.243 539 N C -0.919 174.613 175.510 0.037 0.000 1.088 539 N CA -0.184 52.911 53.050 0.075 0.000 0.940 539 N CB 1.023 39.556 38.487 0.078 0.000 1.180 539 N HN 0.731 nan 8.380 nan 0.000 0.505 540 A N 1.454 124.297 122.820 0.039 0.000 2.402 540 A HA 0.422 4.780 4.320 0.064 0.000 0.291 540 A C -0.260 177.336 177.584 0.019 0.000 1.051 540 A CA -0.711 51.330 52.037 0.007 0.000 0.716 540 A CB 1.008 20.006 19.000 -0.003 0.000 1.223 540 A HN 0.339 nan 8.150 nan 0.000 0.425 541 D N 1.089 121.483 120.400 -0.011 0.000 2.360 541 D HA 0.121 4.799 4.640 0.064 0.000 0.210 541 D C 0.816 177.063 176.300 -0.089 0.000 1.047 541 D CA 1.599 55.592 54.000 -0.011 0.000 0.854 541 D CB 0.714 41.488 40.800 -0.043 0.000 0.936 541 D HN 0.719 nan 8.370 nan 0.000 0.514 542 T N -3.877 110.620 114.554 -0.095 0.000 2.883 542 T HA 0.393 4.781 4.350 0.064 0.000 0.296 542 T C -2.416 172.250 174.700 -0.058 0.000 1.117 542 T CA -1.893 60.146 62.100 -0.101 0.000 1.006 542 T CB 2.609 71.398 68.868 -0.132 0.000 1.191 542 T HN -0.423 nan 8.240 nan 0.000 0.508 543 P HA -0.132 nan 4.420 nan 0.000 0.215 543 P C 1.529 178.817 177.300 -0.020 0.000 1.157 543 P CA 1.207 64.293 63.100 -0.022 0.000 0.874 543 P CB 0.123 31.814 31.700 -0.016 0.000 0.790 544 E N -0.460 119.722 120.200 -0.030 0.000 2.077 544 E HA -0.177 4.211 4.350 0.064 0.000 0.193 544 E C 1.599 178.178 176.600 -0.035 0.000 0.989 544 E CA 1.198 57.583 56.400 -0.026 0.000 0.800 544 E CB -1.009 28.671 29.700 -0.032 0.000 0.746 544 E HN 0.360 nan 8.360 nan 0.000 0.452 545 D N 0.139 120.504 120.400 -0.059 0.000 2.224 545 D HA -0.053 4.625 4.640 0.064 0.000 0.205 545 D C 1.800 178.076 176.300 -0.040 0.000 0.965 545 D CA 0.942 54.895 54.000 -0.079 0.000 0.852 545 D CB -0.205 40.534 40.800 -0.102 0.000 0.947 545 D HN 0.130 nan 8.370 nan 0.000 0.494 546 T N 1.215 115.756 114.554 -0.021 0.000 2.737 546 T HA -0.050 4.338 4.350 0.064 0.000 0.265 546 T C 2.272 176.981 174.700 0.015 0.000 1.038 546 T CA 0.568 62.668 62.100 -0.000 0.000 1.144 546 T CB -0.214 68.656 68.868 0.003 0.000 0.866 546 T HN 0.101 nan 8.240 nan 0.000 0.434 547 L N 1.314 122.546 121.223 0.015 0.000 1.970 547 L HA -0.154 4.224 4.340 0.064 0.000 0.212 547 L C 2.645 179.540 176.870 0.042 0.000 1.071 547 L CA 1.192 56.049 54.840 0.027 0.000 0.751 547 L CB -0.825 41.248 42.059 0.024 0.000 0.889 547 L HN 0.187 nan 8.230 nan 0.000 0.432 548 N N 0.486 119.214 118.700 0.048 0.000 2.091 548 N HA -0.238 4.541 4.740 0.064 0.000 0.193 548 N C 1.814 177.386 175.510 0.104 0.000 1.021 548 N CA 1.840 54.947 53.050 0.095 0.000 0.862 548 N CB -0.525 38.041 38.487 0.131 0.000 1.018 548 N HN 0.410 nan 8.380 nan 0.000 0.429 549 A N 0.704 123.564 122.820 0.067 0.000 1.902 549 A HA -0.051 4.307 4.320 0.064 0.000 0.217 549 A C 2.578 180.204 177.584 0.071 0.000 1.181 549 A CA 1.292 53.372 52.037 0.071 0.000 0.623 549 A CB -0.757 18.265 19.000 0.037 0.000 0.818 549 A HN 0.129 nan 8.150 nan 0.000 0.443 550 V N 0.111 120.058 119.914 0.055 0.000 2.427 550 V HA -0.216 3.942 4.120 0.064 0.000 0.248 550 V C 2.481 178.611 176.094 0.060 0.000 1.051 550 V CA 2.235 64.565 62.300 0.050 0.000 1.048 550 V CB -0.552 31.294 31.823 0.039 0.000 0.666 550 V HN 0.688 nan 8.190 nan 0.000 0.456 551 K N -0.246 120.192 120.400 0.064 0.000 2.281 551 K HA -0.106 4.252 4.320 0.064 0.000 0.203 551 K C 1.605 178.258 176.600 0.088 0.000 1.046 551 K CA 1.291 57.618 56.287 0.066 0.000 0.938 551 K CB -0.054 32.483 32.500 0.062 0.000 0.737 551 K HN 0.430 nan 8.250 nan 0.000 0.458 552 L N -1.192 120.094 121.223 0.106 0.000 2.640 552 L HA 0.245 4.623 4.340 0.064 0.000 0.230 552 L C 0.898 177.862 176.870 0.156 0.000 1.123 552 L CA 0.314 55.242 54.840 0.148 0.000 0.900 552 L CB 0.897 43.044 42.059 0.145 0.000 1.146 552 L HN 0.487 nan 8.230 nan 0.000 0.484 553 G N -0.082 108.782 108.800 0.106 0.000 2.192 553 G HA2 -0.182 3.816 3.960 0.064 0.000 0.193 553 G HA3 -0.182 3.816 3.960 0.064 0.000 0.193 553 G C 0.379 175.320 174.900 0.067 0.000 0.999 553 G CA -0.208 44.940 45.100 0.081 0.000 0.659 553 G HN 0.363 nan 8.290 nan 0.000 0.503 554 A N 0.497 123.359 122.820 0.069 0.000 2.520 554 A HA 0.550 4.908 4.320 0.064 0.000 0.245 554 A C 0.950 178.552 177.584 0.030 0.000 1.072 554 A CA 0.948 53.017 52.037 0.054 0.000 0.761 554 A CB 0.124 19.155 19.000 0.052 0.000 1.004 554 A HN 0.503 nan 8.150 nan 0.000 0.499 555 E N 1.788 121.995 120.200 0.011 0.000 2.419 555 E HA 0.379 4.767 4.350 0.064 0.000 0.190 555 E C 0.795 177.372 176.600 -0.038 0.000 1.040 555 E CA 0.412 56.806 56.400 -0.010 0.000 0.900 555 E CB 0.133 29.824 29.700 -0.015 0.000 1.054 555 E HN 1.009 nan 8.360 nan 0.000 0.462 556 G N 0.852 109.633 108.800 -0.032 0.000 2.332 556 G HA2 0.137 4.135 3.960 0.064 0.000 0.265 556 G HA3 0.137 4.135 3.960 0.064 0.000 0.265 556 G C -1.848 173.029 174.900 -0.038 0.000 1.329 556 G CA -1.054 44.022 45.100 -0.041 0.000 0.949 556 G HN 0.012 nan 8.290 nan 0.000 0.476 557 I N 1.501 122.043 120.570 -0.046 0.000 2.447 557 I HA 0.588 4.796 4.170 0.064 0.000 0.287 557 I C 1.154 177.264 176.117 -0.010 0.000 1.023 557 I CA 0.291 61.586 61.300 -0.008 0.000 1.083 557 I CB 1.859 39.877 38.000 0.029 0.000 1.245 557 I HN 0.881 nan 8.210 nan 0.000 0.434 558 G N 5.631 114.465 108.800 0.056 0.000 2.939 558 G HA2 0.317 4.316 3.960 0.064 0.000 0.210 558 G HA3 0.317 4.316 3.960 0.064 0.000 0.210 558 G C -0.035 174.989 174.900 0.208 0.000 1.160 558 G CA 0.364 45.574 45.100 0.182 0.000 0.770 558 G HN 0.445 nan 8.290 nan 0.000 0.543 559 L N -0.306 121.013 121.223 0.160 0.000 2.737 559 L HA 0.487 4.865 4.340 0.064 0.000 0.261 559 L C -1.523 175.438 176.870 0.152 0.000 0.949 559 L CA -1.072 53.872 54.840 0.173 0.000 0.952 559 L CB 1.143 43.308 42.059 0.176 0.000 1.337 559 L HN -0.108 nan 8.230 nan 0.000 0.430 560 C N 6.145 125.552 119.300 0.178 0.000 2.250 560 C HA 0.617 5.115 4.460 0.064 0.000 0.319 560 C C 0.553 175.685 174.990 0.237 0.000 1.124 560 C CA -0.543 58.588 59.018 0.188 0.000 1.527 560 C CB -0.312 27.553 27.740 0.208 0.000 2.001 560 C HN 0.911 nan 8.230 nan 0.000 0.435 561 R N 3.177 123.810 120.500 0.223 0.000 2.694 561 R HA 0.252 4.630 4.340 0.064 0.000 0.268 561 R C 1.254 177.720 176.300 0.277 0.000 1.061 561 R CA 0.568 56.817 56.100 0.248 0.000 1.133 561 R CB 0.480 30.919 30.300 0.232 0.000 1.020 561 R HN 0.843 nan 8.270 nan 0.000 0.475 562 T N -2.613 112.094 114.554 0.255 0.000 3.044 562 T HA 0.092 4.480 4.350 0.064 0.000 0.260 562 T C 0.919 175.729 174.700 0.184 0.000 1.019 562 T CA -0.299 61.908 62.100 0.178 0.000 0.921 562 T CB 0.284 69.331 68.868 0.297 0.000 1.053 562 T HN 0.396 nan 8.240 nan 0.000 0.533 563 E N 2.399 122.746 120.200 0.244 0.000 2.085 563 E HA -0.177 4.211 4.350 0.064 0.000 0.194 563 E C 1.780 178.579 176.600 0.332 0.000 0.994 563 E CA 1.932 58.505 56.400 0.289 0.000 0.801 563 E CB -0.556 29.360 29.700 0.360 0.000 0.743 563 E HN 0.979 nan 8.360 nan 0.000 0.453 564 H N -0.721 118.541 119.070 0.320 0.000 2.457 564 H HA -0.028 4.566 4.556 0.062 0.000 0.297 564 H C 1.615 177.039 175.328 0.159 0.000 1.092 564 H CA 1.475 57.685 56.048 0.271 0.000 1.309 564 H CB -0.409 29.441 29.762 0.146 0.000 1.382 564 H HN 0.128 nan 8.280 nan 0.000 0.535 565 M N -0.505 118.709 119.600 -0.643 0.000 2.549 565 M HA 0.017 4.535 4.480 0.064 0.000 0.260 565 M C 0.648 176.715 176.300 -0.388 0.000 1.076 565 M CA 1.189 56.160 55.300 -0.548 0.000 1.090 565 M CB 0.008 32.182 32.600 -0.710 0.000 1.418 565 M HN 0.287 nan 8.290 nan 0.000 0.486 566 F N -2.380 117.422 119.950 -0.247 0.000 2.637 566 F HA 0.177 4.745 4.527 0.070 0.000 0.284 566 F C 1.595 177.313 175.800 -0.136 0.000 1.105 566 F CA 0.056 57.863 58.000 -0.321 0.000 1.356 566 F CB -0.107 38.512 39.000 -0.635 0.000 1.096 566 F HN -0.101 nan 8.300 nan 0.000 0.616 567 F N 1.009 121.134 119.950 0.292 0.000 2.335 567 F HA 0.071 4.632 4.527 0.057 0.000 0.296 567 F C 1.163 177.033 175.800 0.116 0.000 1.091 567 F CA 0.025 58.178 58.000 0.255 0.000 1.399 567 F CB -0.728 38.413 39.000 0.235 0.000 1.067 567 F HN -0.178 nan 8.300 nan 0.000 0.520 568 E N -0.292 120.071 120.200 0.271 0.000 2.467 568 E HA 0.041 4.429 4.350 0.064 0.000 0.264 568 E C 1.411 178.050 176.600 0.064 0.000 1.020 568 E CA 0.176 56.661 56.400 0.142 0.000 0.945 568 E CB 0.653 30.418 29.700 0.109 0.000 0.942 568 E HN 0.231 nan 8.360 nan 0.000 0.449 569 A N 3.747 126.595 122.820 0.047 0.000 1.915 569 A HA -0.299 4.059 4.320 0.064 0.000 0.220 569 A C 1.531 179.095 177.584 -0.034 0.000 1.198 569 A CA 2.445 54.491 52.037 0.015 0.000 0.647 569 A CB -0.628 18.382 19.000 0.017 0.000 0.825 569 A HN 0.803 nan 8.150 nan 0.000 0.456 570 D N -2.034 118.328 120.400 -0.064 0.000 2.336 570 D HA -0.012 4.666 4.640 0.064 0.000 0.229 570 D C 1.540 177.600 176.300 -0.400 0.000 1.061 570 D CA 0.310 54.214 54.000 -0.160 0.000 0.875 570 D CB -0.060 40.713 40.800 -0.046 0.000 0.904 570 D HN 0.442 nan 8.370 nan 0.000 0.525 571 R N -0.308 120.023 120.500 -0.281 0.000 2.167 571 R HA 0.211 4.589 4.340 0.064 0.000 0.195 571 R C 2.011 178.193 176.300 -0.196 0.000 1.027 571 R CA -0.228 55.663 56.100 -0.349 0.000 1.114 571 R CB -1.157 28.974 30.300 -0.281 0.000 1.075 571 R HN 0.117 nan 8.270 nan 0.000 0.538 572 I N 2.126 122.660 120.570 -0.059 0.000 2.182 572 I HA -0.325 3.884 4.170 0.064 0.000 0.248 572 I C 1.998 178.094 176.117 -0.035 0.000 1.073 572 I CA 1.620 62.930 61.300 0.016 0.000 1.335 572 I CB -0.080 37.985 38.000 0.107 0.000 1.031 572 I HN 0.063 nan 8.210 nan 0.000 0.420 573 M N -0.820 118.739 119.600 -0.067 0.000 2.296 573 M HA -0.184 4.334 4.480 0.064 0.000 0.265 573 M C 2.115 178.361 176.300 -0.091 0.000 1.064 573 M CA 1.484 56.742 55.300 -0.069 0.000 1.109 573 M CB -1.125 31.436 32.600 -0.065 0.000 1.396 573 M HN 0.127 nan 8.290 nan 0.000 0.430 574 K N 0.523 120.843 120.400 -0.133 0.000 2.026 574 K HA -0.090 4.268 4.320 0.064 0.000 0.208 574 K C 1.853 178.381 176.600 -0.120 0.000 1.048 574 K CA 1.034 57.241 56.287 -0.133 0.000 0.929 574 K CB -0.701 31.687 32.500 -0.187 0.000 0.713 574 K HN 0.140 nan 8.250 nan 0.000 0.439 575 I N 1.143 121.632 120.570 -0.135 0.000 2.394 575 I HA -0.183 4.025 4.170 0.064 0.000 0.251 575 I C 1.692 177.725 176.117 -0.140 0.000 1.136 575 I CA 1.291 62.487 61.300 -0.173 0.000 1.425 575 I CB -0.016 37.796 38.000 -0.313 0.000 1.079 575 I HN 0.069 nan 8.210 nan 0.000 0.425 576 R N 0.391 120.839 120.500 -0.088 0.000 2.081 576 R HA -0.197 4.181 4.340 0.064 0.000 0.235 576 R C 2.313 178.570 176.300 -0.072 0.000 1.131 576 R CA 1.531 57.593 56.100 -0.063 0.000 0.960 576 R CB -0.704 29.572 30.300 -0.041 0.000 0.856 576 R HN 0.408 nan 8.270 nan 0.000 0.436 577 K N 0.900 121.257 120.400 -0.072 0.000 2.026 577 K HA -0.119 4.239 4.320 0.064 0.000 0.208 577 K C 2.234 178.789 176.600 -0.076 0.000 1.048 577 K CA 1.214 57.463 56.287 -0.063 0.000 0.929 577 K CB -0.094 32.372 32.500 -0.056 0.000 0.713 577 K HN 0.031 nan 8.250 nan 0.000 0.439 578 M N 1.192 120.734 119.600 -0.098 0.000 2.080 578 M HA -0.185 4.334 4.480 0.064 0.000 0.260 578 M C 1.823 178.033 176.300 -0.150 0.000 1.068 578 M CA 1.522 56.749 55.300 -0.121 0.000 1.109 578 M CB -0.353 32.160 32.600 -0.145 0.000 1.342 578 M HN 0.191 nan 8.290 nan 0.000 0.405 579 I N 1.039 121.516 120.570 -0.154 0.000 2.194 579 I HA -0.287 3.921 4.170 0.064 0.000 0.246 579 I C 2.280 178.339 176.117 -0.098 0.000 1.093 579 I CA 1.405 62.615 61.300 -0.150 0.000 1.355 579 I CB -1.389 36.549 38.000 -0.103 0.000 1.046 579 I HN 0.393 nan 8.210 nan 0.000 0.413 580 L N 0.001 121.181 121.223 -0.071 0.000 2.627 580 L HA 0.040 4.418 4.340 0.064 0.000 0.233 580 L C 1.044 177.894 176.870 -0.034 0.000 1.144 580 L CA -0.138 54.675 54.840 -0.044 0.000 0.892 580 L CB -0.334 41.703 42.059 -0.038 0.000 1.039 580 L HN 0.065 nan 8.230 nan 0.000 0.442 581 S N -0.465 115.208 115.700 -0.044 0.000 2.645 581 S HA 0.141 4.649 4.470 0.064 0.000 0.266 581 S C 0.465 175.059 174.600 -0.010 0.000 1.258 581 S CA -0.504 57.679 58.200 -0.027 0.000 0.990 581 S CB 1.030 64.210 63.200 -0.034 0.000 0.967 581 S HN 0.188 nan 8.310 nan 0.000 0.556 582 D N 0.184 120.588 120.400 0.005 0.000 2.540 582 D HA 0.187 4.865 4.640 0.064 0.000 0.229 582 D C -0.373 175.947 176.300 0.032 0.000 1.250 582 D CA 0.201 54.214 54.000 0.023 0.000 0.817 582 D CB 0.817 41.629 40.800 0.020 0.000 1.060 582 D HN 0.316 nan 8.370 nan 0.000 0.508 583 S N 0.246 115.962 115.700 0.027 0.000 2.526 583 S HA 0.235 4.743 4.470 0.064 0.000 0.293 583 S C 0.826 175.452 174.600 0.043 0.000 1.092 583 S CA -0.565 57.656 58.200 0.034 0.000 0.980 583 S CB 2.287 65.500 63.200 0.022 0.000 1.048 583 S HN -0.116 nan 8.310 nan 0.000 0.483 584 V N 4.526 124.476 119.914 0.059 0.000 2.594 584 V HA -0.083 4.075 4.120 0.064 0.000 0.253 584 V C 2.088 178.210 176.094 0.046 0.000 1.069 584 V CA 2.738 65.081 62.300 0.072 0.000 1.082 584 V CB -0.793 31.079 31.823 0.082 0.000 0.680 584 V HN 0.967 nan 8.190 nan 0.000 0.469 585 E N 0.507 120.727 120.200 0.033 0.000 2.107 585 E HA -0.079 4.309 4.350 0.064 0.000 0.191 585 E C 2.078 178.685 176.600 0.012 0.000 0.982 585 E CA 1.270 57.683 56.400 0.021 0.000 0.809 585 E CB -0.538 29.172 29.700 0.018 0.000 0.756 585 E HN 0.565 nan 8.360 nan 0.000 0.459 586 A N 1.164 123.990 122.820 0.009 0.000 2.014 586 A HA -0.004 4.354 4.320 0.064 0.000 0.218 586 A C 2.210 179.785 177.584 -0.015 0.000 1.163 586 A CA 1.041 53.076 52.037 -0.003 0.000 0.652 586 A CB -0.339 18.658 19.000 -0.004 0.000 0.808 586 A HN 0.127 nan 8.150 nan 0.000 0.449 587 R N -0.110 120.383 120.500 -0.011 0.000 2.075 587 R HA -0.074 4.305 4.340 0.064 0.000 0.232 587 R C 2.088 178.375 176.300 -0.022 0.000 1.126 587 R CA 1.643 57.723 56.100 -0.033 0.000 0.963 587 R CB -0.208 30.080 30.300 -0.021 0.000 0.858 587 R HN 0.686 nan 8.270 nan 0.000 0.435 588 E N 0.090 120.290 120.200 0.000 0.000 2.051 588 E HA -0.222 4.166 4.350 0.064 0.000 0.192 588 E C 1.889 178.484 176.600 -0.007 0.000 0.991 588 E CA 1.443 57.844 56.400 0.002 0.000 0.799 588 E CB -0.017 29.691 29.700 0.013 0.000 0.748 588 E HN 0.411 nan 8.360 nan 0.000 0.449 589 E N 0.652 120.848 120.200 -0.007 0.000 2.110 589 E HA -0.192 4.196 4.350 0.064 0.000 0.193 589 E C 2.035 178.625 176.600 -0.016 0.000 0.988 589 E CA 0.912 57.307 56.400 -0.008 0.000 0.804 589 E CB -0.115 29.581 29.700 -0.006 0.000 0.745 589 E HN 0.235 nan 8.360 nan 0.000 0.458 590 A N 1.293 124.096 122.820 -0.027 0.000 1.845 590 A HA -0.180 4.178 4.320 0.064 0.000 0.215 590 A C 2.211 179.766 177.584 -0.049 0.000 1.195 590 A CA 1.112 53.124 52.037 -0.042 0.000 0.616 590 A CB -0.814 18.151 19.000 -0.058 0.000 0.832 590 A HN 0.136 nan 8.150 nan 0.000 0.443 591 L N -0.163 121.032 121.223 -0.047 0.000 1.990 591 L HA -0.274 4.104 4.340 0.064 0.000 0.213 591 L C 2.242 179.086 176.870 -0.042 0.000 1.072 591 L CA 1.650 56.462 54.840 -0.047 0.000 0.755 591 L CB -0.803 41.239 42.059 -0.028 0.000 0.889 591 L HN 0.401 nan 8.230 nan 0.000 0.432 592 N N 0.054 118.741 118.700 -0.023 0.000 2.348 592 N HA -0.194 4.584 4.740 0.064 0.000 0.185 592 N C 1.589 177.103 175.510 0.005 0.000 1.019 592 N CA 1.032 54.075 53.050 -0.012 0.000 0.880 592 N CB -0.231 38.253 38.487 -0.006 0.000 0.965 592 N HN 0.474 nan 8.380 nan 0.000 0.437 593 E N 0.213 120.418 120.200 0.008 0.000 2.268 593 E HA -0.056 4.332 4.350 0.064 0.000 0.195 593 E C 1.674 178.345 176.600 0.118 0.000 0.995 593 E CA 0.342 56.777 56.400 0.057 0.000 0.836 593 E CB -0.031 29.690 29.700 0.034 0.000 0.763 593 E HN 0.365 nan 8.360 nan 0.000 0.491 594 L N 0.626 121.855 121.223 0.010 0.000 2.217 594 L HA -0.099 4.279 4.340 0.064 0.000 0.211 594 L C 2.214 179.131 176.870 0.078 0.000 1.107 594 L CA 0.380 55.209 54.840 -0.019 0.000 0.783 594 L CB -0.165 41.754 42.059 -0.234 0.000 0.919 594 L HN 0.169 nan 8.230 nan 0.000 0.442 595 I N 0.642 121.233 120.570 0.035 0.000 2.185 595 I HA -0.257 3.952 4.170 0.064 0.000 0.246 595 I C -0.241 175.899 176.117 0.038 0.000 1.088 595 I CA 1.527 62.841 61.300 0.024 0.000 1.347 595 I CB -1.659 36.345 38.000 0.006 0.000 1.041 595 I HN 0.276 nan 8.210 nan 0.000 0.415 596 P HA -0.158 nan 4.420 nan 0.000 0.217 596 P C 1.651 178.872 177.300 -0.132 0.000 1.150 596 P CA 1.717 64.752 63.100 -0.109 0.000 0.832 596 P CB -0.162 31.386 31.700 -0.254 0.000 0.787 597 F N 0.484 120.383 119.950 -0.086 0.000 2.186 597 F HA -0.057 4.509 4.527 0.065 0.000 0.299 597 F C 2.837 178.550 175.800 -0.144 0.000 1.090 597 F CA 1.276 59.212 58.000 -0.106 0.000 1.307 597 F CB -1.290 37.634 39.000 -0.127 0.000 1.019 597 F HN -0.073 nan 8.300 nan 0.000 0.489 598 Q N 0.327 120.148 119.800 0.036 0.000 2.096 598 Q HA -0.151 4.227 4.340 0.064 0.000 0.197 598 Q C 2.297 178.301 176.000 0.006 0.000 0.964 598 Q CA 1.001 56.731 55.803 -0.121 0.000 0.838 598 Q CB -0.264 28.367 28.738 -0.178 0.000 0.906 598 Q HN 0.385 nan 8.270 nan 0.000 0.444 599 K N 0.730 121.197 120.400 0.111 0.000 2.152 599 K HA -0.148 4.210 4.320 0.064 0.000 0.206 599 K C 1.860 178.537 176.600 0.129 0.000 1.048 599 K CA 1.524 57.924 56.287 0.190 0.000 0.933 599 K CB -0.264 32.295 32.500 0.099 0.000 0.721 599 K HN 0.213 nan 8.250 nan 0.000 0.447 600 G N 1.084 109.903 108.800 0.033 0.000 2.402 600 G HA2 -0.220 3.778 3.960 0.064 0.000 0.216 600 G HA3 -0.220 3.778 3.960 0.064 0.000 0.216 600 G C 1.007 175.900 174.900 -0.011 0.000 1.162 600 G CA 0.834 45.938 45.100 0.007 0.000 0.777 600 G HN 0.332 nan 8.290 nan 0.000 0.539 601 D N 0.722 121.068 120.400 -0.090 0.000 2.104 601 D HA -0.097 4.581 4.640 0.064 0.000 0.194 601 D C 2.170 178.362 176.300 -0.180 0.000 0.994 601 D CA 0.717 54.614 54.000 -0.171 0.000 0.830 601 D CB -0.436 40.164 40.800 -0.333 0.000 0.959 601 D HN 0.294 nan 8.370 nan 0.000 0.452 602 F N 1.469 121.404 119.950 -0.025 0.000 2.171 602 F HA -0.071 4.493 4.527 0.062 0.000 0.300 602 F C 2.313 178.088 175.800 -0.042 0.000 1.090 602 F CA 0.819 58.759 58.000 -0.100 0.000 1.293 602 F CB -0.362 38.626 39.000 -0.020 0.000 1.013 602 F HN -0.106 nan 8.300 nan 0.000 0.486 603 K N 0.067 120.623 120.400 0.260 0.000 2.002 603 K HA -0.155 4.203 4.320 0.064 0.000 0.209 603 K C 2.362 179.061 176.600 0.165 0.000 1.048 603 K CA 1.363 57.800 56.287 0.250 0.000 0.930 603 K CB -0.661 31.930 32.500 0.151 0.000 0.714 603 K HN 0.219 nan 8.250 nan 0.000 0.438 604 A N 1.287 124.157 122.820 0.082 0.000 1.978 604 A HA -0.187 4.171 4.320 0.064 0.000 0.220 604 A C 2.109 179.710 177.584 0.029 0.000 1.170 604 A CA 1.548 53.611 52.037 0.043 0.000 0.636 604 A CB -0.358 18.648 19.000 0.010 0.000 0.810 604 A HN 0.172 nan 8.150 nan 0.000 0.448 605 M N -2.021 117.572 119.600 -0.011 0.000 2.236 605 M HA -0.027 4.491 4.480 0.064 0.000 0.266 605 M C 1.944 178.232 176.300 -0.021 0.000 1.070 605 M CA 1.223 56.485 55.300 -0.064 0.000 1.137 605 M CB -1.249 31.262 32.600 -0.148 0.000 1.378 605 M HN 0.528 nan 8.290 nan 0.000 0.426 606 Y N 0.538 120.900 120.300 0.104 0.000 2.373 606 Y HA -0.073 4.515 4.550 0.064 0.000 0.293 606 Y C 2.504 178.433 175.900 0.049 0.000 1.129 606 Y CA 0.788 58.933 58.100 0.074 0.000 1.226 606 Y CB -0.568 37.936 38.460 0.074 0.000 1.000 606 Y HN 0.114 nan 8.280 nan 0.000 0.549 607 K N 0.171 120.685 120.400 0.190 0.000 1.984 607 K HA -0.070 4.288 4.320 0.064 0.000 0.209 607 K C 2.338 178.990 176.600 0.086 0.000 1.046 607 K CA 1.162 57.517 56.287 0.114 0.000 0.934 607 K CB -0.632 31.918 32.500 0.083 0.000 0.717 607 K HN 0.237 nan 8.250 nan 0.000 0.438 608 A N 1.268 124.129 122.820 0.068 0.000 1.978 608 A HA -0.141 4.217 4.320 0.064 0.000 0.220 608 A C 2.278 179.896 177.584 0.058 0.000 1.170 608 A CA 1.328 53.394 52.037 0.049 0.000 0.636 608 A CB -0.534 18.483 19.000 0.029 0.000 0.810 608 A HN 0.254 nan 8.150 nan 0.000 0.448 609 L N -1.436 119.838 121.223 0.085 0.000 2.179 609 L HA -0.043 4.335 4.340 0.064 0.000 0.208 609 L C 0.432 177.351 176.870 0.082 0.000 1.096 609 L CA 0.658 55.553 54.840 0.091 0.000 0.779 609 L CB -0.507 41.637 42.059 0.141 0.000 0.922 609 L HN 0.449 nan 8.230 nan 0.000 0.443 610 E N -0.008 120.245 120.200 0.089 0.000 2.269 610 E HA -0.297 4.091 4.350 0.064 0.000 0.223 610 E C 1.030 177.660 176.600 0.050 0.000 1.244 610 E CA 0.178 56.615 56.400 0.061 0.000 0.713 610 E CB -1.664 28.061 29.700 0.043 0.000 1.178 610 E HN 0.704 nan 8.360 nan 0.000 0.370 611 G N -0.108 108.728 108.800 0.060 0.000 2.217 611 G HA2 -0.358 3.640 3.960 0.064 0.000 0.246 611 G HA3 -0.358 3.640 3.960 0.064 0.000 0.246 611 G C 0.404 175.326 174.900 0.037 0.000 0.990 611 G CA 0.292 45.413 45.100 0.036 0.000 0.627 611 G HN 0.311 nan 8.290 nan 0.000 0.522 612 R N 1.120 121.648 120.500 0.047 0.000 2.694 612 R HA 0.430 4.808 4.340 0.064 0.000 0.268 612 R C -2.178 174.142 176.300 0.032 0.000 1.061 612 R CA -1.007 55.108 56.100 0.026 0.000 1.133 612 R CB 0.218 30.531 30.300 0.021 0.000 1.020 612 R HN 0.195 nan 8.270 nan 0.000 0.475 613 P HA 0.204 nan 4.420 nan 0.000 0.279 613 P C -1.009 176.296 177.300 0.008 0.000 1.276 613 P CA -0.514 62.582 63.100 -0.006 0.000 0.801 613 P CB 0.687 32.338 31.700 -0.081 0.000 1.127 614 M N -0.190 119.434 119.600 0.041 0.000 2.221 614 M HA 0.265 4.783 4.480 0.064 0.000 0.259 614 M C -1.508 174.826 176.300 0.057 0.000 1.001 614 M CA -0.161 55.169 55.300 0.049 0.000 1.009 614 M CB 1.166 33.812 32.600 0.077 0.000 1.939 614 M HN 0.056 nan 8.290 nan 0.000 0.477 615 T N 4.135 118.708 114.554 0.033 0.000 2.738 615 T HA 0.323 4.711 4.350 0.064 0.000 0.293 615 T C -0.206 174.603 174.700 0.182 0.000 0.913 615 T CA -0.240 61.911 62.100 0.085 0.000 1.103 615 T CB 0.167 69.094 68.868 0.099 0.000 0.880 615 T HN 0.476 nan 8.240 nan 0.000 0.526 616 V N 5.652 125.694 119.914 0.213 0.000 2.385 616 V HA 0.308 4.466 4.120 0.064 0.000 0.269 616 V C 0.788 177.070 176.094 0.313 0.000 1.043 616 V CA -0.734 61.730 62.300 0.274 0.000 0.906 616 V CB 0.692 32.666 31.823 0.251 0.000 0.995 616 V HN 0.675 nan 8.190 nan 0.000 0.467 617 R N 4.153 124.852 120.500 0.332 0.000 2.234 617 R HA 0.238 4.616 4.340 0.064 0.000 0.324 617 R C -0.811 175.769 176.300 0.467 0.000 1.054 617 R CA -0.411 55.886 56.100 0.329 0.000 0.912 617 R CB 0.437 30.892 30.300 0.259 0.000 1.030 617 R HN 0.557 nan 8.270 nan 0.000 0.455 618 Y N 2.390 122.786 120.300 0.160 0.000 2.385 618 Y HA -0.047 4.539 4.550 0.061 0.000 0.346 618 Y C 0.819 176.788 175.900 0.115 0.000 1.270 618 Y CA -0.665 57.524 58.100 0.148 0.000 1.472 618 Y CB 0.217 38.747 38.460 0.115 0.000 1.354 618 Y HN 0.457 nan 8.280 nan 0.000 0.611 619 L N 2.254 123.572 121.223 0.159 0.000 2.737 619 L HA -0.151 4.227 4.340 0.064 0.000 0.279 619 L C 0.806 177.694 176.870 0.031 0.000 1.200 619 L CA 0.741 55.565 54.840 -0.026 0.000 0.952 619 L CB -0.396 41.454 42.059 -0.348 0.000 1.240 619 L HN 0.754 nan 8.230 nan 0.000 0.486 620 D N 5.051 125.488 120.400 0.061 0.000 2.259 620 D HA 0.113 4.791 4.640 0.064 0.000 0.216 620 D C -2.039 174.300 176.300 0.065 0.000 0.961 620 D CA 0.148 54.197 54.000 0.082 0.000 0.878 620 D CB -0.100 40.768 40.800 0.113 0.000 1.009 620 D HN 0.532 nan 8.370 nan 0.000 0.490 621 P HA 0.219 nan 4.420 nan 0.000 0.279 621 P C -2.706 174.634 177.300 0.065 0.000 1.252 621 P CA -1.301 61.833 63.100 0.056 0.000 0.811 621 P CB 1.009 32.715 31.700 0.011 0.000 1.035 622 P HA 0.111 nan 4.420 nan 0.000 0.271 622 P C 1.231 178.599 177.300 0.113 0.000 1.233 622 P CA -0.148 62.985 63.100 0.056 0.000 0.789 622 P CB 0.919 32.656 31.700 0.061 0.000 0.951 623 L N 0.040 121.333 121.223 0.116 0.000 2.131 623 L HA -0.184 4.194 4.340 0.064 0.000 0.210 623 L C 2.719 179.702 176.870 0.188 0.000 1.092 623 L CA 1.271 56.211 54.840 0.167 0.000 0.759 623 L CB -1.103 40.993 42.059 0.062 0.000 0.903 623 L HN 0.606 nan 8.230 nan 0.000 0.435 624 H N 0.891 120.011 119.070 0.083 0.000 2.460 624 H HA -0.197 4.406 4.556 0.079 0.000 0.297 624 H C 1.812 177.225 175.328 0.141 0.000 1.103 624 H CA 1.540 57.654 56.048 0.111 0.000 1.292 624 H CB 0.282 30.105 29.762 0.101 0.000 1.376 624 H HN 0.480 nan 8.280 nan 0.000 0.531 625 E N -0.713 119.545 120.200 0.096 0.000 2.268 625 E HA -0.113 4.275 4.350 0.064 0.000 0.195 625 E C 1.378 177.880 176.600 -0.163 0.000 0.995 625 E CA 0.532 56.910 56.400 -0.038 0.000 0.836 625 E CB 0.035 29.599 29.700 -0.228 0.000 0.763 625 E HN 0.449 nan 8.360 nan 0.000 0.491 626 F N 0.152 120.144 119.950 0.070 0.000 2.698 626 F HA 0.023 4.591 4.527 0.068 0.000 0.295 626 F C 1.094 176.848 175.800 -0.076 0.000 1.124 626 F CA -0.193 57.810 58.000 0.006 0.000 1.426 626 F CB 0.067 38.959 39.000 -0.180 0.000 1.120 626 F HN -0.191 nan 8.300 nan 0.000 0.583 627 V N -0.421 119.446 119.914 -0.077 0.000 2.732 627 V HA 0.403 4.561 4.120 0.064 0.000 0.297 627 V C -2.237 173.569 176.094 -0.479 0.000 1.060 627 V CA -2.361 59.804 62.300 -0.226 0.000 1.038 627 V CB 0.671 32.340 31.823 -0.258 0.000 1.003 627 V HN -0.148 nan 8.190 nan 0.000 0.481 628 P HA 0.205 nan 4.420 nan 0.000 0.268 628 P C -0.576 176.436 177.300 -0.480 0.000 1.205 628 P CA 0.289 63.186 63.100 -0.338 0.000 0.771 628 P CB 0.568 32.179 31.700 -0.148 0.000 0.858 629 H N -1.094 117.946 119.070 -0.050 0.000 2.654 629 H HA 0.126 4.722 4.556 0.067 0.000 0.264 629 H C 0.378 175.695 175.328 -0.017 0.000 0.954 629 H CA 0.317 56.343 56.048 -0.036 0.000 1.199 629 H CB 0.170 29.924 29.762 -0.013 0.000 1.446 629 H HN 0.327 nan 8.280 nan 0.000 0.516 630 T N 0.945 115.528 114.554 0.048 0.000 2.761 630 T HA -0.023 4.365 4.350 0.064 0.000 0.296 630 T C 1.255 175.957 174.700 0.004 0.000 0.934 630 T CA -0.081 62.035 62.100 0.028 0.000 1.091 630 T CB 1.465 70.342 68.868 0.015 0.000 0.896 630 T HN 0.412 nan 8.240 nan 0.000 0.515 631 E N 2.427 122.631 120.200 0.008 0.000 2.171 631 E HA -0.242 4.146 4.350 0.064 0.000 0.197 631 E C 1.934 178.529 176.600 -0.007 0.000 0.997 631 E CA 1.524 57.923 56.400 -0.001 0.000 0.810 631 E CB 0.160 29.861 29.700 0.001 0.000 0.738 631 E HN 0.824 nan 8.360 nan 0.000 0.467 632 E N 0.416 120.613 120.200 -0.005 0.000 2.028 632 E HA -0.253 4.135 4.350 0.064 0.000 0.191 632 E C 2.053 178.646 176.600 -0.013 0.000 0.988 632 E CA 1.262 57.657 56.400 -0.007 0.000 0.799 632 E CB -0.097 29.601 29.700 -0.004 0.000 0.755 632 E HN 0.266 nan 8.360 nan 0.000 0.447 633 E N -0.016 120.175 120.200 -0.015 0.000 2.160 633 E HA -0.254 4.134 4.350 0.064 0.000 0.195 633 E C 2.173 178.752 176.600 -0.035 0.000 0.991 633 E CA 1.327 57.712 56.400 -0.024 0.000 0.810 633 E CB 0.087 29.771 29.700 -0.027 0.000 0.742 633 E HN 0.367 nan 8.360 nan 0.000 0.466 634 Q N -0.308 119.469 119.800 -0.039 0.000 2.119 634 Q HA -0.122 4.256 4.340 0.064 0.000 0.201 634 Q C 2.187 178.169 176.000 -0.030 0.000 0.972 634 Q CA 1.074 56.850 55.803 -0.045 0.000 0.847 634 Q CB -0.099 28.614 28.738 -0.043 0.000 0.903 634 Q HN 0.313 nan 8.270 nan 0.000 0.433 635 A N 2.132 124.939 122.820 -0.021 0.000 1.859 635 A HA -0.288 4.070 4.320 0.064 0.000 0.217 635 A C 1.925 179.499 177.584 -0.016 0.000 1.198 635 A CA 1.962 53.990 52.037 -0.016 0.000 0.629 635 A CB -0.708 18.285 19.000 -0.011 0.000 0.830 635 A HN 0.474 nan 8.150 nan 0.000 0.446 636 E N -0.429 119.762 120.200 -0.016 0.000 2.160 636 E HA -0.210 4.178 4.350 0.064 0.000 0.195 636 E C 1.870 178.458 176.600 -0.019 0.000 0.991 636 E CA 1.244 57.635 56.400 -0.015 0.000 0.810 636 E CB -0.443 29.249 29.700 -0.014 0.000 0.742 636 E HN 0.481 nan 8.360 nan 0.000 0.466 637 L N 1.445 122.652 121.223 -0.025 0.000 2.093 637 L HA -0.062 4.316 4.340 0.064 0.000 0.208 637 L C 2.335 179.190 176.870 -0.025 0.000 1.085 637 L CA 1.885 56.707 54.840 -0.029 0.000 0.755 637 L CB -0.615 41.420 42.059 -0.040 0.000 0.904 637 L HN 0.094 nan 8.230 nan 0.000 0.435 638 A N -0.811 121.995 122.820 -0.023 0.000 1.898 638 A HA -0.214 4.144 4.320 0.064 0.000 0.216 638 A C 2.442 180.017 177.584 -0.015 0.000 1.181 638 A CA 1.735 53.761 52.037 -0.018 0.000 0.620 638 A CB -0.592 18.399 19.000 -0.016 0.000 0.819 638 A HN 0.421 nan 8.150 nan 0.000 0.442 639 K N -0.248 120.144 120.400 -0.014 0.000 2.097 639 K HA -0.146 4.212 4.320 0.064 0.000 0.205 639 K C 1.333 177.926 176.600 -0.011 0.000 1.050 639 K CA 1.398 57.678 56.287 -0.011 0.000 0.938 639 K CB -0.216 32.278 32.500 -0.010 0.000 0.718 639 K HN 0.438 nan 8.250 nan 0.000 0.442 640 N N 0.343 119.034 118.700 -0.014 0.000 2.270 640 N HA -0.069 4.709 4.740 0.064 0.000 0.181 640 N C 1.191 176.692 175.510 -0.015 0.000 1.016 640 N CA 0.997 54.038 53.050 -0.014 0.000 0.870 640 N CB 0.066 38.543 38.487 -0.017 0.000 0.979 640 N HN 0.255 nan 8.380 nan 0.000 0.431 641 M N -0.331 119.259 119.600 -0.017 0.000 2.560 641 M HA 0.259 4.777 4.480 0.064 0.000 0.297 641 M C 0.435 176.727 176.300 -0.013 0.000 1.201 641 M CA -0.286 55.004 55.300 -0.017 0.000 0.973 641 M CB 0.573 33.160 32.600 -0.021 0.000 1.401 641 M HN 0.012 nan 8.290 nan 0.000 0.497 642 G N 2.033 110.827 108.800 -0.011 0.000 2.395 642 G HA2 -0.237 3.761 3.960 0.064 0.000 0.300 642 G HA3 -0.237 3.761 3.960 0.064 0.000 0.300 642 G C -0.309 174.586 174.900 -0.008 0.000 0.998 642 G CA 0.382 45.477 45.100 -0.008 0.000 1.046 642 G HN 0.476 nan 8.290 nan 0.000 0.513 643 L N -0.825 120.392 121.223 -0.009 0.000 2.256 643 L HA 0.758 5.137 4.340 0.064 0.000 0.261 643 L C 1.082 177.947 176.870 -0.008 0.000 1.022 643 L CA -0.649 54.185 54.840 -0.008 0.000 0.828 643 L CB 2.048 44.100 42.059 -0.011 0.000 1.374 643 L HN 0.337 nan 8.230 nan 0.000 0.436 644 T N -1.484 113.066 114.554 -0.006 0.000 2.909 644 T HA 0.195 4.583 4.350 0.064 0.000 0.289 644 T C 0.805 175.500 174.700 -0.008 0.000 1.005 644 T CA -0.614 61.482 62.100 -0.006 0.000 1.084 644 T CB 1.239 70.105 68.868 -0.004 0.000 0.975 644 T HN 0.478 nan 8.240 nan 0.000 0.509 645 L N 2.893 124.111 121.223 -0.008 0.000 2.081 645 L HA 0.063 4.441 4.340 0.064 0.000 0.212 645 L C 2.637 179.502 176.870 -0.009 0.000 1.080 645 L CA 2.441 57.275 54.840 -0.010 0.000 0.754 645 L CB -1.416 40.638 42.059 -0.009 0.000 0.893 645 L HN 0.935 nan 8.230 nan 0.000 0.433 646 A N -0.866 121.951 122.820 -0.006 0.000 1.933 646 A HA -0.204 4.154 4.320 0.064 0.000 0.218 646 A C 2.149 179.731 177.584 -0.003 0.000 1.175 646 A CA 1.704 53.739 52.037 -0.003 0.000 0.628 646 A CB -0.562 18.438 19.000 -0.002 0.000 0.814 646 A HN 0.641 nan 8.150 nan 0.000 0.444 647 E N -0.473 119.725 120.200 -0.003 0.000 2.106 647 E HA -0.095 4.293 4.350 0.064 0.000 0.192 647 E C 1.916 178.513 176.600 -0.005 0.000 0.984 647 E CA 1.141 57.540 56.400 -0.002 0.000 0.806 647 E CB -0.194 29.504 29.700 -0.003 0.000 0.750 647 E HN 0.405 nan 8.360 nan 0.000 0.458 648 V N 1.446 121.353 119.914 -0.011 0.000 2.379 648 V HA -0.229 3.929 4.120 0.064 0.000 0.245 648 V C 2.310 178.394 176.094 -0.017 0.000 1.044 648 V CA 1.603 63.891 62.300 -0.019 0.000 1.036 648 V CB -0.314 31.492 31.823 -0.028 0.000 0.664 648 V HN 0.158 nan 8.190 nan 0.000 0.453 649 K N 0.239 120.632 120.400 -0.012 0.000 2.097 649 K HA -0.152 4.206 4.320 0.064 0.000 0.206 649 K C 2.056 178.659 176.600 0.005 0.000 1.049 649 K CA 1.498 57.782 56.287 -0.006 0.000 0.933 649 K CB -0.267 32.230 32.500 -0.004 0.000 0.717 649 K HN 0.458 nan 8.250 nan 0.000 0.442 650 A N 0.607 123.431 122.820 0.007 0.000 2.119 650 A HA -0.102 4.256 4.320 0.064 0.000 0.217 650 A C 1.851 179.450 177.584 0.025 0.000 1.153 650 A CA 1.269 53.315 52.037 0.015 0.000 0.692 650 A CB -0.170 18.838 19.000 0.012 0.000 0.799 650 A HN 0.167 nan 8.150 nan 0.000 0.458 651 K N -0.219 120.192 120.400 0.019 0.000 2.078 651 K HA 0.077 4.435 4.320 0.064 0.000 0.203 651 K C 1.623 178.248 176.600 0.042 0.000 1.043 651 K CA 1.567 57.869 56.287 0.026 0.000 0.960 651 K CB -0.799 31.704 32.500 0.005 0.000 0.761 651 K HN 0.082 nan 8.250 nan 0.000 0.448 652 V N 2.056 121.981 119.914 0.018 0.000 2.332 652 V HA -0.266 3.892 4.120 0.064 0.000 0.248 652 V C 1.435 177.619 176.094 0.150 0.000 1.055 652 V CA 2.382 64.699 62.300 0.028 0.000 1.038 652 V CB -0.625 31.177 31.823 -0.037 0.000 0.651 652 V HN 0.375 nan 8.190 nan 0.000 0.450 653 D N -0.557 119.901 120.400 0.097 0.000 2.178 653 D HA -0.168 4.510 4.640 0.064 0.000 0.202 653 D C 2.196 178.561 176.300 0.109 0.000 0.974 653 D CA 1.303 55.357 54.000 0.090 0.000 0.841 653 D CB -0.184 40.631 40.800 0.025 0.000 0.953 653 D HN 0.627 nan 8.370 nan 0.000 0.478 654 E N 0.311 120.569 120.200 0.096 0.000 2.152 654 E HA -0.096 4.292 4.350 0.064 0.000 0.192 654 E C 1.776 178.451 176.600 0.126 0.000 0.983 654 E CA 0.456 56.911 56.400 0.090 0.000 0.818 654 E CB -0.008 29.737 29.700 0.074 0.000 0.758 654 E HN 0.264 nan 8.360 nan 0.000 0.467 655 L N 0.527 121.857 121.223 0.179 0.000 2.492 655 L HA 0.036 4.414 4.340 0.064 0.000 0.223 655 L C 1.194 178.205 176.870 0.234 0.000 1.132 655 L CA -0.131 54.839 54.840 0.218 0.000 0.850 655 L CB -0.431 41.765 42.059 0.228 0.000 0.966 655 L HN 0.202 nan 8.230 nan 0.000 0.454 656 H N 1.663 120.815 119.070 0.135 0.000 2.972 656 H HA 0.066 4.672 4.556 0.084 0.000 0.343 656 H C -0.354 174.825 175.328 -0.249 0.000 1.054 656 H CA 0.580 56.537 56.048 -0.152 0.000 1.412 656 H CB 0.473 30.154 29.762 -0.136 0.000 1.385 656 H HN 0.142 nan 8.280 nan 0.000 0.600 657 E N 3.677 123.234 120.200 -1.072 0.000 2.317 657 E HA 0.122 4.510 4.350 0.064 0.000 0.270 657 E C 0.108 176.245 176.600 -0.771 0.000 0.885 657 E CA -0.726 55.250 56.400 -0.706 0.000 0.760 657 E CB 1.258 30.779 29.700 -0.298 0.000 1.227 657 E HN 0.540 nan 8.360 nan 0.000 0.434 658 F N 0.844 120.659 119.950 -0.226 0.000 2.069 658 F HA -0.143 4.397 4.527 0.021 0.000 0.298 658 F C 1.098 176.830 175.800 -0.114 0.000 1.113 658 F CA 0.972 58.910 58.000 -0.105 0.000 1.214 658 F CB 0.042 39.025 39.000 -0.029 0.000 0.978 658 F HN 0.282 nan 8.300 nan 0.000 0.474 659 N N 0.184 118.944 118.700 0.099 0.000 2.664 659 N HA 0.174 4.953 4.740 0.064 0.000 0.257 659 N C -2.278 173.231 175.510 -0.002 0.000 1.108 659 N CA -0.975 52.100 53.050 0.042 0.000 0.822 659 N CB 1.515 40.048 38.487 0.077 0.000 1.199 659 N HN -0.086 nan 8.380 nan 0.000 0.529 660 P HA -0.149 nan 4.420 nan 0.000 0.218 660 P C 1.724 179.023 177.300 -0.001 0.000 1.146 660 P CA 0.960 64.026 63.100 -0.057 0.000 0.813 660 P CB 0.402 32.046 31.700 -0.093 0.000 0.778 661 M N -1.841 117.767 119.600 0.013 0.000 2.159 661 M HA -0.096 4.422 4.480 0.064 0.000 0.263 661 M C 0.919 177.249 176.300 0.050 0.000 1.063 661 M CA 1.919 57.241 55.300 0.037 0.000 1.110 661 M CB -0.232 32.396 32.600 0.048 0.000 1.374 661 M HN -0.132 nan 8.290 nan 0.000 0.411 662 M N 0.455 120.085 119.600 0.050 0.000 2.963 662 M HA 0.311 4.829 4.480 0.064 0.000 0.350 662 M C 0.229 176.567 176.300 0.062 0.000 1.253 662 M CA -0.550 54.784 55.300 0.057 0.000 0.856 662 M CB 0.875 33.509 32.600 0.055 0.000 1.356 662 M HN 0.261 nan 8.290 nan 0.000 0.510 663 G N -1.216 107.624 108.800 0.066 0.000 2.940 663 G HA2 0.204 4.203 3.960 0.064 0.000 0.164 663 G HA3 0.204 4.203 3.960 0.064 0.000 0.164 663 G C -0.897 174.091 174.900 0.147 0.000 1.326 663 G CA -0.473 44.681 45.100 0.089 0.000 1.020 663 G HN 0.521 nan 8.290 nan 0.000 0.586 664 H N 1.151 120.242 119.070 0.035 0.000 3.109 664 H HA 0.378 4.968 4.556 0.056 0.000 0.266 664 H C 0.364 175.732 175.328 0.067 0.000 1.334 664 H CA -0.286 55.790 56.048 0.047 0.000 1.456 664 H CB -0.309 29.489 29.762 0.060 0.000 1.587 664 H HN 0.458 nan 8.280 nan 0.000 0.500 665 R N 2.200 122.743 120.500 0.072 0.000 2.747 665 R HA 0.481 4.859 4.340 0.064 0.000 0.272 665 R C 0.072 176.398 176.300 0.044 0.000 1.032 665 R CA -0.542 55.565 56.100 0.011 0.000 0.896 665 R CB 0.462 30.787 30.300 0.041 0.000 1.253 665 R HN 0.556 nan 8.270 nan 0.000 0.461 666 G N 0.343 109.169 108.800 0.043 0.000 2.583 666 G HA2 -0.441 3.557 3.960 0.064 0.000 0.292 666 G HA3 -0.441 3.557 3.960 0.064 0.000 0.292 666 G C 0.966 175.914 174.900 0.081 0.000 1.203 666 G CA 0.430 45.571 45.100 0.069 0.000 0.987 666 G HN 0.920 nan 8.290 nan 0.000 0.554 667 C N 1.243 120.596 119.300 0.089 0.000 2.413 667 C HA 0.019 4.517 4.460 0.064 0.000 0.277 667 C C 3.181 178.232 174.990 0.101 0.000 1.265 667 C CA 2.253 61.331 59.018 0.101 0.000 1.752 667 C CB -1.607 26.179 27.740 0.077 0.000 1.998 667 C HN 0.665 nan 8.230 nan 0.000 0.489 668 R N -0.142 120.416 120.500 0.097 0.000 2.120 668 R HA -0.108 4.270 4.340 0.064 0.000 0.234 668 R C 1.902 178.309 176.300 0.177 0.000 1.123 668 R CA 1.286 57.468 56.100 0.135 0.000 0.975 668 R CB -0.449 29.974 30.300 0.205 0.000 0.866 668 R HN 0.435 nan 8.270 nan 0.000 0.446 669 L N 0.044 121.295 121.223 0.046 0.000 2.240 669 L HA 0.106 4.485 4.340 0.064 0.000 0.211 669 L C 2.039 178.955 176.870 0.076 0.000 1.106 669 L CA 1.318 56.094 54.840 -0.107 0.000 0.793 669 L CB -0.251 41.724 42.059 -0.139 0.000 0.927 669 L HN 0.107 nan 8.230 nan 0.000 0.446 670 A N -1.666 121.222 122.820 0.114 0.000 2.016 670 A HA -0.013 4.345 4.320 0.064 0.000 0.217 670 A C 2.168 179.886 177.584 0.224 0.000 1.162 670 A CA 1.287 53.429 52.037 0.175 0.000 0.662 670 A CB -0.610 18.508 19.000 0.196 0.000 0.812 670 A HN 0.228 nan 8.150 nan 0.000 0.450 671 V N 0.565 120.574 119.914 0.159 0.000 2.270 671 V HA -0.221 3.937 4.120 0.064 0.000 0.245 671 V C 3.069 179.132 176.094 -0.052 0.000 1.043 671 V CA 2.500 64.829 62.300 0.049 0.000 1.014 671 V CB -1.256 30.451 31.823 -0.193 0.000 0.645 671 V HN 0.813 nan 8.190 nan 0.000 0.447 672 T N -1.829 112.654 114.554 -0.118 0.000 2.777 672 T HA -0.169 4.219 4.350 0.064 0.000 0.266 672 T C 0.824 175.296 174.700 -0.381 0.000 1.040 672 T CA 1.204 63.100 62.100 -0.339 0.000 1.141 672 T CB -0.418 68.153 68.868 -0.495 0.000 0.868 672 T HN 0.420 nan 8.240 nan 0.000 0.444 673 Y N 1.780 122.148 120.300 0.114 0.000 2.902 673 Y HA 0.450 5.036 4.550 0.060 0.000 0.353 673 Y C -2.108 173.852 175.900 0.100 0.000 1.116 673 Y CA -3.425 54.725 58.100 0.085 0.000 1.222 673 Y CB 0.835 39.310 38.460 0.026 0.000 1.302 673 Y HN 0.167 nan 8.280 nan 0.000 0.590 674 P HA -0.204 nan 4.420 nan 0.000 0.219 674 P C 0.806 178.188 177.300 0.138 0.000 1.144 674 P CA 1.568 64.788 63.100 0.202 0.000 0.806 674 P CB 0.426 32.230 31.700 0.173 0.000 0.771 675 E N -0.525 119.760 120.200 0.141 0.000 2.118 675 E HA -0.167 4.221 4.350 0.064 0.000 0.195 675 E C 1.951 178.587 176.600 0.060 0.000 0.992 675 E CA 0.998 57.449 56.400 0.086 0.000 0.804 675 E CB -1.015 28.731 29.700 0.077 0.000 0.741 675 E HN 0.297 nan 8.360 nan 0.000 0.458 676 I N 0.850 121.464 120.570 0.073 0.000 2.163 676 I HA -0.312 3.896 4.170 0.064 0.000 0.243 676 I C 2.373 178.496 176.117 0.011 0.000 1.085 676 I CA 1.270 62.594 61.300 0.040 0.000 1.347 676 I CB -0.405 37.605 38.000 0.015 0.000 1.044 676 I HN 0.146 nan 8.210 nan 0.000 0.408 677 A N 0.958 123.807 122.820 0.048 0.000 1.897 677 A HA -0.162 4.196 4.320 0.064 0.000 0.215 677 A C 2.309 179.916 177.584 0.038 0.000 1.181 677 A CA 1.270 53.339 52.037 0.054 0.000 0.620 677 A CB -0.390 18.757 19.000 0.246 0.000 0.821 677 A HN 0.310 nan 8.150 nan 0.000 0.443 678 K N -0.740 119.688 120.400 0.046 0.000 2.020 678 K HA -0.206 4.152 4.320 0.064 0.000 0.212 678 K C 2.159 178.752 176.600 -0.012 0.000 1.050 678 K CA 1.623 57.922 56.287 0.020 0.000 0.929 678 K CB -0.420 32.089 32.500 0.014 0.000 0.714 678 K HN 0.455 nan 8.250 nan 0.000 0.443 679 M N 1.846 121.434 119.600 -0.021 0.000 2.065 679 M HA -0.240 4.278 4.480 0.064 0.000 0.259 679 M C 2.014 178.268 176.300 -0.077 0.000 1.069 679 M CA 1.840 57.115 55.300 -0.040 0.000 1.110 679 M CB -0.552 32.027 32.600 -0.034 0.000 1.328 679 M HN 0.200 nan 8.290 nan 0.000 0.405 680 Q N -1.119 118.593 119.800 -0.146 0.000 2.181 680 Q HA -0.157 4.221 4.340 0.064 0.000 0.205 680 Q C 1.783 177.676 176.000 -0.178 0.000 0.980 680 Q CA 2.117 57.770 55.803 -0.250 0.000 0.862 680 Q CB -0.275 28.051 28.738 -0.687 0.000 0.905 680 Q HN 0.577 nan 8.270 nan 0.000 0.429 681 T N 0.485 114.988 114.554 -0.084 0.000 2.812 681 T HA -0.131 4.257 4.350 0.064 0.000 0.264 681 T C 1.711 176.381 174.700 -0.050 0.000 1.042 681 T CA 1.102 63.215 62.100 0.023 0.000 1.140 681 T CB -0.135 68.774 68.868 0.069 0.000 0.870 681 T HN 0.267 nan 8.240 nan 0.000 0.445 682 R N 0.940 121.413 120.500 -0.045 0.000 2.120 682 R HA 0.017 4.395 4.340 0.064 0.000 0.234 682 R C 2.477 178.764 176.300 -0.022 0.000 1.123 682 R CA 1.257 57.333 56.100 -0.040 0.000 0.975 682 R CB -0.338 29.945 30.300 -0.028 0.000 0.866 682 R HN 0.363 nan 8.270 nan 0.000 0.446 683 A N 0.080 122.899 122.820 -0.002 0.000 1.929 683 A HA -0.050 4.308 4.320 0.064 0.000 0.216 683 A C 2.190 179.801 177.584 0.044 0.000 1.176 683 A CA 1.253 53.341 52.037 0.084 0.000 0.628 683 A CB -0.355 18.758 19.000 0.188 0.000 0.816 683 A HN 0.207 nan 8.150 nan 0.000 0.444 684 V N 0.081 119.885 119.914 -0.183 0.000 2.270 684 V HA -0.257 3.901 4.120 0.064 0.000 0.245 684 V C 2.678 178.704 176.094 -0.113 0.000 1.043 684 V CA 2.010 64.077 62.300 -0.389 0.000 1.014 684 V CB -0.599 30.969 31.823 -0.425 0.000 0.645 684 V HN 0.504 nan 8.190 nan 0.000 0.447 685 M N -0.782 118.755 119.600 -0.105 0.000 2.254 685 M HA -0.100 4.418 4.480 0.064 0.000 0.265 685 M C 2.105 178.369 176.300 -0.059 0.000 1.066 685 M CA 1.413 56.651 55.300 -0.103 0.000 1.123 685 M CB -1.051 31.456 32.600 -0.155 0.000 1.388 685 M HN 0.424 nan 8.290 nan 0.000 0.425 686 E N 0.444 120.628 120.200 -0.026 0.000 2.150 686 E HA -0.100 4.288 4.350 0.064 0.000 0.193 686 E C 2.073 178.690 176.600 0.028 0.000 0.985 686 E CA 1.119 57.517 56.400 -0.004 0.000 0.814 686 E CB 0.048 29.753 29.700 0.007 0.000 0.752 686 E HN 0.477 nan 8.360 nan 0.000 0.466 687 A N 1.233 124.106 122.820 0.088 0.000 1.897 687 A HA -0.025 4.333 4.320 0.064 0.000 0.215 687 A C 2.314 179.957 177.584 0.098 0.000 1.181 687 A CA 1.410 53.553 52.037 0.176 0.000 0.620 687 A CB -0.470 18.754 19.000 0.374 0.000 0.821 687 A HN 0.292 nan 8.150 nan 0.000 0.443 688 A N 0.479 123.259 122.820 -0.067 0.000 1.835 688 A HA -0.060 4.298 4.320 0.064 0.000 0.215 688 A C 1.964 179.415 177.584 -0.222 0.000 1.199 688 A CA 1.653 53.438 52.037 -0.420 0.000 0.615 688 A CB -0.676 18.011 19.000 -0.521 0.000 0.838 688 A HN 0.359 nan 8.150 nan 0.000 0.444 689 I N 0.404 120.893 120.570 -0.134 0.000 2.113 689 I HA -0.320 3.888 4.170 0.064 0.000 0.242 689 I C 2.407 178.490 176.117 -0.057 0.000 1.057 689 I CA 2.062 63.313 61.300 -0.082 0.000 1.314 689 I CB -1.810 36.158 38.000 -0.053 0.000 1.022 689 I HN 0.492 nan 8.210 nan 0.000 0.408 690 E N 0.196 120.376 120.200 -0.033 0.000 2.031 690 E HA -0.178 4.210 4.350 0.064 0.000 0.193 690 E C 2.310 178.906 176.600 -0.006 0.000 0.994 690 E CA 1.484 57.878 56.400 -0.011 0.000 0.800 690 E CB -0.140 29.566 29.700 0.011 0.000 0.752 690 E HN 0.285 nan 8.360 nan 0.000 0.447 691 V N 1.675 121.590 119.914 0.002 0.000 2.594 691 V HA -0.202 3.956 4.120 0.064 0.000 0.253 691 V C 2.301 178.382 176.094 -0.021 0.000 1.069 691 V CA 1.320 63.630 62.300 0.018 0.000 1.082 691 V CB -0.378 31.488 31.823 0.071 0.000 0.680 691 V HN 0.167 nan 8.190 nan 0.000 0.469 692 K N 0.386 120.750 120.400 -0.059 0.000 2.116 692 K HA -0.101 4.257 4.320 0.064 0.000 0.203 692 K C 1.979 178.558 176.600 -0.035 0.000 1.052 692 K CA 1.203 57.453 56.287 -0.061 0.000 0.952 692 K CB 0.038 32.482 32.500 -0.094 0.000 0.729 692 K HN 0.601 nan 8.250 nan 0.000 0.446 693 E N 0.222 120.405 120.200 -0.029 0.000 2.274 693 E HA -0.128 4.260 4.350 0.064 0.000 0.194 693 E C 1.487 178.080 176.600 -0.011 0.000 0.996 693 E CA 0.845 57.233 56.400 -0.019 0.000 0.840 693 E CB 0.123 29.813 29.700 -0.017 0.000 0.772 693 E HN 0.397 nan 8.360 nan 0.000 0.491 694 E N -0.150 120.046 120.200 -0.007 0.000 2.318 694 E HA -0.061 4.328 4.350 0.064 0.000 0.193 694 E C 1.820 178.421 176.600 0.002 0.000 0.998 694 E CA 1.417 57.818 56.400 0.000 0.000 0.859 694 E CB 0.326 30.030 29.700 0.008 0.000 0.812 694 E HN 0.259 nan 8.360 nan 0.000 0.492 695 T N -4.456 110.098 114.554 -0.000 0.000 2.959 695 T HA 0.312 4.700 4.350 0.064 0.000 0.254 695 T C 1.681 176.379 174.700 -0.003 0.000 1.003 695 T CA 0.460 62.562 62.100 0.003 0.000 0.950 695 T CB 0.826 69.700 68.868 0.009 0.000 1.090 695 T HN 0.205 nan 8.240 nan 0.000 0.503 696 G N 1.890 110.684 108.800 -0.010 0.000 2.284 696 G HA2 -0.243 3.755 3.960 0.064 0.000 0.261 696 G HA3 -0.243 3.755 3.960 0.064 0.000 0.261 696 G C 0.100 174.991 174.900 -0.015 0.000 0.997 696 G CA 0.234 45.326 45.100 -0.013 0.000 0.621 696 G HN 0.685 nan 8.290 nan 0.000 0.534 697 I N 2.313 122.875 120.570 -0.013 0.000 2.505 697 I HA 0.138 4.346 4.170 0.064 0.000 0.287 697 I C 0.644 176.742 176.117 -0.032 0.000 1.104 697 I CA -0.370 60.922 61.300 -0.013 0.000 1.387 697 I CB 0.444 38.444 38.000 0.000 0.000 1.404 697 I HN 0.067 nan 8.210 nan 0.000 0.528 698 D N 7.192 127.573 120.400 -0.031 0.000 2.472 698 D HA 0.224 4.902 4.640 0.064 0.000 0.237 698 D C -0.239 176.023 176.300 -0.064 0.000 1.141 698 D CA 0.808 54.781 54.000 -0.045 0.000 0.875 698 D CB 0.846 41.628 40.800 -0.030 0.000 1.192 698 D HN 0.285 nan 8.370 nan 0.000 0.450 699 I N 1.443 121.952 120.570 -0.101 0.000 2.686 699 I HA 0.215 4.423 4.170 0.064 0.000 0.295 699 I C -0.574 175.473 176.117 -0.116 0.000 1.114 699 I CA -0.917 60.297 61.300 -0.142 0.000 1.038 699 I CB 2.524 40.322 38.000 -0.336 0.000 1.238 699 I HN -0.021 nan 8.210 nan 0.000 0.420 700 V N 5.789 125.658 119.914 -0.075 0.000 2.443 700 V HA 0.270 4.428 4.120 0.064 0.000 0.272 700 V C -2.399 173.685 176.094 -0.017 0.000 1.002 700 V CA -1.483 60.774 62.300 -0.072 0.000 0.840 700 V CB 1.209 32.999 31.823 -0.055 0.000 1.042 700 V HN 0.550 nan 8.190 nan 0.000 0.446 701 P HA 0.176 nan 4.420 nan 0.000 0.266 701 P C -0.360 177.024 177.300 0.139 0.000 1.195 701 P CA 0.203 63.361 63.100 0.096 0.000 0.768 701 P CB 0.644 32.384 31.700 0.067 0.000 0.838 702 E N 2.349 122.647 120.200 0.162 0.000 2.145 702 E HA 0.377 4.765 4.350 0.064 0.000 0.262 702 E C -0.524 176.240 176.600 0.274 0.000 0.883 702 E CA -0.410 56.123 56.400 0.221 0.000 0.748 702 E CB 0.898 30.571 29.700 -0.045 0.000 1.140 702 E HN 0.370 nan 8.360 nan 0.000 0.417 703 I N 3.691 124.439 120.570 0.296 0.000 2.336 703 I HA 0.337 4.545 4.170 0.064 0.000 0.292 703 I C -0.208 175.928 176.117 0.031 0.000 0.991 703 I CA -0.409 60.907 61.300 0.027 0.000 1.227 703 I CB 1.078 38.980 38.000 -0.164 0.000 1.366 703 I HN 0.399 nan 8.210 nan 0.000 0.466 704 M N 7.441 127.024 119.600 -0.028 0.000 2.253 704 M HA 0.545 5.063 4.480 0.064 0.000 0.314 704 M C -1.559 174.668 176.300 -0.121 0.000 1.019 704 M CA -0.663 54.627 55.300 -0.017 0.000 0.932 704 M CB 1.483 34.246 32.600 0.271 0.000 1.606 704 M HN 0.370 nan 8.290 nan 0.000 0.430 705 I N 8.330 128.819 120.570 -0.135 0.000 2.331 705 I HA 0.474 4.682 4.170 0.064 0.000 0.292 705 I C -2.061 174.061 176.117 0.009 0.000 0.998 705 I CA -1.746 59.528 61.300 -0.043 0.000 1.267 705 I CB 1.001 38.974 38.000 -0.044 0.000 1.386 705 I HN 0.494 nan 8.210 nan 0.000 0.476 706 P HA 0.305 nan 4.420 nan 0.000 0.280 706 P C -0.182 177.150 177.300 0.053 0.000 1.272 706 P CA -0.539 62.602 63.100 0.068 0.000 0.819 706 P CB 1.228 32.992 31.700 0.107 0.000 1.122 707 L N -2.081 119.168 121.223 0.044 0.000 3.762 707 L HA -0.159 4.219 4.340 0.064 0.000 0.460 707 L C -0.279 176.606 176.870 0.025 0.000 1.255 707 L CA 0.120 54.983 54.840 0.039 0.000 0.783 707 L CB -1.924 40.169 42.059 0.057 0.000 1.600 707 L HN 0.124 nan 8.230 nan 0.000 0.862 708 V N -0.304 119.609 119.914 -0.002 0.000 2.427 708 V HA 0.639 4.797 4.120 0.064 0.000 0.286 708 V C 1.150 177.224 176.094 -0.032 0.000 1.034 708 V CA 0.643 62.934 62.300 -0.016 0.000 0.893 708 V CB 1.562 33.362 31.823 -0.039 0.000 0.982 708 V HN 0.464 nan 8.190 nan 0.000 0.452 709 G N 3.311 112.100 108.800 -0.019 0.000 3.815 709 G HA2 0.392 4.390 3.960 0.064 0.000 0.265 709 G HA3 0.392 4.390 3.960 0.064 0.000 0.265 709 G C -0.085 174.804 174.900 -0.018 0.000 1.026 709 G CA 0.068 45.154 45.100 -0.024 0.000 0.868 709 G HN 0.619 nan 8.290 nan 0.000 0.476 710 E N 0.485 120.679 120.200 -0.010 0.000 2.311 710 E HA 0.336 4.724 4.350 0.064 0.000 0.281 710 E C 0.895 177.501 176.600 0.010 0.000 0.905 710 E CA -0.791 55.609 56.400 -0.001 0.000 0.778 710 E CB 1.665 31.365 29.700 0.001 0.000 1.240 710 E HN -0.046 nan 8.360 nan 0.000 0.410 711 K N 3.774 124.183 120.400 0.016 0.000 2.032 711 K HA -0.239 4.119 4.320 0.064 0.000 0.218 711 K C 0.983 177.606 176.600 0.038 0.000 1.054 711 K CA 2.180 58.483 56.287 0.027 0.000 0.941 711 K CB -0.017 32.500 32.500 0.029 0.000 0.720 711 K HN 0.500 nan 8.250 nan 0.000 0.449 712 K N 0.300 120.724 120.400 0.040 0.000 2.281 712 K HA -0.195 4.163 4.320 0.064 0.000 0.203 712 K C 2.173 178.826 176.600 0.088 0.000 1.046 712 K CA 1.552 57.875 56.287 0.060 0.000 0.938 712 K CB -0.049 32.478 32.500 0.046 0.000 0.737 712 K HN 0.458 nan 8.250 nan 0.000 0.458 713 E N 1.020 121.258 120.200 0.062 0.000 2.076 713 E HA -0.162 4.226 4.350 0.064 0.000 0.190 713 E C 2.011 178.679 176.600 0.114 0.000 0.979 713 E CA 0.493 56.935 56.400 0.071 0.000 0.807 713 E CB 0.094 29.812 29.700 0.030 0.000 0.761 713 E HN 0.147 nan 8.360 nan 0.000 0.454 714 L N 1.616 122.884 121.223 0.074 0.000 2.109 714 L HA -0.079 4.299 4.340 0.064 0.000 0.207 714 L C 2.300 179.215 176.870 0.075 0.000 1.086 714 L CA 1.802 56.677 54.840 0.059 0.000 0.760 714 L CB -0.412 41.657 42.059 0.016 0.000 0.910 714 L HN -0.027 nan 8.230 nan 0.000 0.437 715 K N -1.065 119.384 120.400 0.081 0.000 2.097 715 K HA -0.258 4.100 4.320 0.064 0.000 0.206 715 K C 2.199 178.849 176.600 0.085 0.000 1.049 715 K CA 1.805 58.134 56.287 0.070 0.000 0.933 715 K CB -0.456 32.082 32.500 0.064 0.000 0.717 715 K HN 0.374 nan 8.250 nan 0.000 0.442 716 F N 1.255 121.214 119.950 0.015 0.000 2.095 716 F HA -0.236 4.330 4.527 0.065 0.000 0.298 716 F C 1.773 177.590 175.800 0.030 0.000 1.104 716 F CA 1.539 59.551 58.000 0.020 0.000 1.232 716 F CB -0.178 38.831 39.000 0.016 0.000 0.987 716 F HN -0.189 nan 8.300 nan 0.000 0.475 717 V N 0.687 120.697 119.914 0.161 0.000 2.379 717 V HA -0.271 3.887 4.120 0.064 0.000 0.245 717 V C 2.398 178.494 176.094 0.003 0.000 1.044 717 V CA 2.125 64.479 62.300 0.089 0.000 1.036 717 V CB -0.899 31.023 31.823 0.166 0.000 0.664 717 V HN 0.333 nan 8.190 nan 0.000 0.453 718 K N 0.279 120.683 120.400 0.006 0.000 2.063 718 K HA -0.264 4.094 4.320 0.064 0.000 0.208 718 K C 1.796 178.386 176.600 -0.018 0.000 1.048 718 K CA 2.119 58.405 56.287 -0.002 0.000 0.928 718 K CB -0.271 32.231 32.500 0.004 0.000 0.713 718 K HN 0.401 nan 8.250 nan 0.000 0.442 719 D N 0.229 120.590 120.400 -0.064 0.000 2.144 719 D HA -0.132 4.547 4.640 0.064 0.000 0.199 719 D C 1.924 178.159 176.300 -0.109 0.000 0.984 719 D CA 1.003 54.949 54.000 -0.089 0.000 0.834 719 D CB -0.103 40.610 40.800 -0.144 0.000 0.955 719 D HN 0.052 nan 8.370 nan 0.000 0.465 720 V N 0.448 120.264 119.914 -0.163 0.000 2.237 720 V HA -0.215 3.943 4.120 0.064 0.000 0.245 720 V C 2.650 178.720 176.094 -0.040 0.000 1.046 720 V CA 1.161 63.386 62.300 -0.126 0.000 1.007 720 V CB -0.552 31.195 31.823 -0.126 0.000 0.638 720 V HN 0.058 nan 8.190 nan 0.000 0.445 721 V N -0.405 119.511 119.914 0.004 0.000 2.332 721 V HA -0.247 3.911 4.120 0.064 0.000 0.248 721 V C 2.416 178.500 176.094 -0.017 0.000 1.055 721 V CA 1.944 64.262 62.300 0.029 0.000 1.038 721 V CB -0.672 31.189 31.823 0.063 0.000 0.651 721 V HN 0.395 nan 8.190 nan 0.000 0.450 722 V N 0.043 119.970 119.914 0.021 0.000 2.343 722 V HA -0.300 3.858 4.120 0.064 0.000 0.247 722 V C 2.542 178.649 176.094 0.021 0.000 1.051 722 V CA 2.384 64.727 62.300 0.072 0.000 1.036 722 V CB -0.494 31.402 31.823 0.123 0.000 0.654 722 V HN 0.729 nan 8.190 nan 0.000 0.451 723 E N -0.160 120.037 120.200 -0.005 0.000 2.085 723 E HA -0.209 4.179 4.350 0.064 0.000 0.194 723 E C 2.110 178.693 176.600 -0.028 0.000 0.994 723 E CA 1.840 58.231 56.400 -0.014 0.000 0.801 723 E CB -0.048 29.635 29.700 -0.029 0.000 0.743 723 E HN 0.420 nan 8.360 nan 0.000 0.453 724 V N 0.859 120.748 119.914 -0.042 0.000 2.453 724 V HA -0.158 4.000 4.120 0.064 0.000 0.247 724 V C 2.378 178.417 176.094 -0.092 0.000 1.048 724 V CA 1.532 63.801 62.300 -0.052 0.000 1.049 724 V CB -0.440 31.358 31.823 -0.041 0.000 0.672 724 V HN 0.465 nan 8.190 nan 0.000 0.457 725 A N -0.420 122.301 122.820 -0.165 0.000 1.898 725 A HA -0.168 4.190 4.320 0.064 0.000 0.216 725 A C 2.177 179.664 177.584 -0.161 0.000 1.181 725 A CA 1.488 53.336 52.037 -0.314 0.000 0.620 725 A CB -0.387 18.103 19.000 -0.849 0.000 0.819 725 A HN 0.463 nan 8.150 nan 0.000 0.442 726 E N -0.434 119.739 120.200 -0.045 0.000 2.077 726 E HA -0.203 4.185 4.350 0.064 0.000 0.193 726 E C 2.125 178.724 176.600 -0.002 0.000 0.989 726 E CA 1.575 57.992 56.400 0.030 0.000 0.800 726 E CB -0.405 29.328 29.700 0.054 0.000 0.746 726 E HN 0.720 nan 8.360 nan 0.000 0.452 727 Q N 0.683 120.471 119.800 -0.019 0.000 2.020 727 Q HA -0.093 4.285 4.340 0.064 0.000 0.202 727 Q C 2.171 178.156 176.000 -0.026 0.000 0.982 727 Q CA 1.553 57.344 55.803 -0.019 0.000 0.838 727 Q CB -0.449 28.276 28.738 -0.022 0.000 0.899 727 Q HN 0.122 nan 8.270 nan 0.000 0.423 728 V N 0.889 120.777 119.914 -0.044 0.000 2.392 728 V HA -0.275 3.883 4.120 0.064 0.000 0.249 728 V C 2.176 178.250 176.094 -0.034 0.000 1.059 728 V CA 2.226 64.499 62.300 -0.044 0.000 1.051 728 V CB -0.529 31.256 31.823 -0.064 0.000 0.658 728 V HN 0.371 nan 8.190 nan 0.000 0.455 729 K N -0.125 120.257 120.400 -0.030 0.000 2.147 729 K HA -0.193 4.165 4.320 0.064 0.000 0.205 729 K C 2.271 178.868 176.600 -0.005 0.000 1.049 729 K CA 1.329 57.610 56.287 -0.010 0.000 0.936 729 K CB -0.147 32.365 32.500 0.020 0.000 0.722 729 K HN 0.378 nan 8.250 nan 0.000 0.446 730 K N 1.483 121.880 120.400 -0.004 0.000 2.062 730 K HA -0.130 4.228 4.320 0.064 0.000 0.205 730 K C 1.494 178.090 176.600 -0.007 0.000 1.051 730 K CA 1.256 57.541 56.287 -0.003 0.000 0.941 730 K CB 0.187 32.686 32.500 -0.001 0.000 0.719 730 K HN 0.115 nan 8.250 nan 0.000 0.440 731 E N 0.232 120.426 120.200 -0.011 0.000 2.265 731 E HA -0.152 4.236 4.350 0.064 0.000 0.196 731 E C 1.019 177.612 176.600 -0.012 0.000 0.996 731 E CA 0.974 57.367 56.400 -0.012 0.000 0.832 731 E CB 0.176 29.868 29.700 -0.014 0.000 0.756 731 E HN 0.220 nan 8.360 nan 0.000 0.491 732 K N -0.538 119.853 120.400 -0.014 0.000 2.413 732 K HA 0.147 4.506 4.320 0.064 0.000 0.204 732 K C 0.311 176.903 176.600 -0.012 0.000 1.041 732 K CA 0.261 56.540 56.287 -0.014 0.000 1.082 732 K CB 1.430 33.919 32.500 -0.019 0.000 0.871 732 K HN 0.123 nan 8.250 nan 0.000 0.535 733 G N 2.531 111.325 108.800 -0.010 0.000 2.372 733 G HA2 -0.261 3.737 3.960 0.064 0.000 0.297 733 G HA3 -0.261 3.737 3.960 0.064 0.000 0.297 733 G C -0.281 174.613 174.900 -0.009 0.000 1.005 733 G CA 0.807 45.903 45.100 -0.008 0.000 1.173 733 G HN 0.274 nan 8.290 nan 0.000 0.511 734 S N -0.418 115.277 115.700 -0.007 0.000 2.482 734 S HA 0.583 5.091 4.470 0.064 0.000 0.303 734 S C 0.806 175.407 174.600 0.001 0.000 1.091 734 S CA 0.043 58.238 58.200 -0.008 0.000 1.057 734 S CB 1.268 64.459 63.200 -0.014 0.000 1.031 734 S HN 0.438 nan 8.310 nan 0.000 0.485 735 D N 3.749 124.147 120.400 -0.004 0.000 2.342 735 D HA 0.051 4.729 4.640 0.064 0.000 0.221 735 D C 0.689 176.985 176.300 -0.006 0.000 1.101 735 D CA -0.283 53.715 54.000 -0.004 0.000 0.837 735 D CB -0.288 40.505 40.800 -0.012 0.000 0.938 735 D HN 0.548 nan 8.370 nan 0.000 0.508 736 M N 1.238 120.839 119.600 0.002 0.000 2.251 736 M HA -0.030 4.488 4.480 0.064 0.000 0.343 736 M C -0.293 176.018 176.300 0.019 0.000 1.245 736 M CA 0.278 55.577 55.300 -0.002 0.000 1.061 736 M CB 0.591 33.184 32.600 -0.011 0.000 1.723 736 M HN -0.168 nan 8.290 nan 0.000 0.449 737 Q N 4.592 124.359 119.800 -0.054 0.000 2.227 737 Q HA 0.430 4.808 4.340 0.064 0.000 0.245 737 Q C -1.454 174.435 176.000 -0.185 0.000 0.926 737 Q CA -0.130 55.569 55.803 -0.173 0.000 0.895 737 Q CB 1.570 30.181 28.738 -0.212 0.000 1.230 737 Q HN 0.758 nan 8.270 nan 0.000 0.450 738 Y N -2.187 117.927 120.300 -0.311 0.000 2.597 738 Y HA 0.604 5.192 4.550 0.063 0.000 0.340 738 Y C -0.920 174.744 175.900 -0.393 0.000 1.097 738 Y CA -1.161 56.750 58.100 -0.315 0.000 1.037 738 Y CB 1.378 39.762 38.460 -0.126 0.000 1.305 738 Y HN 0.442 nan 8.280 nan 0.000 0.463 739 H N 2.498 121.680 119.070 0.186 0.000 2.589 739 H HA 0.545 5.138 4.556 0.063 0.000 0.351 739 H C -1.220 174.308 175.328 0.333 0.000 1.074 739 H CA -1.008 55.156 56.048 0.193 0.000 1.203 739 H CB 2.598 32.512 29.762 0.253 0.000 1.558 739 H HN 0.730 nan 8.280 nan 0.000 0.522 740 I N 2.423 123.176 120.570 0.304 0.000 2.330 740 I HA 0.404 4.612 4.170 0.064 0.000 0.289 740 I C 0.824 176.833 176.117 -0.181 0.000 1.001 740 I CA -0.172 61.193 61.300 0.108 0.000 1.193 740 I CB 1.492 39.535 38.000 0.072 0.000 1.345 740 I HN 0.596 nan 8.210 nan 0.000 0.461 741 G N 3.335 111.710 108.800 -0.708 0.000 3.175 741 G HA2 0.690 4.688 3.960 0.064 0.000 0.255 741 G HA3 0.690 4.688 3.960 0.064 0.000 0.255 741 G C -1.109 173.345 174.900 -0.742 0.000 1.352 741 G CA -0.335 44.004 45.100 -1.268 0.000 1.037 741 G HN 0.393 nan 8.290 nan 0.000 0.556 742 T N -0.730 113.499 114.554 -0.542 0.000 2.865 742 T HA 0.573 4.961 4.350 0.064 0.000 0.294 742 T C -0.465 174.135 174.700 -0.167 0.000 1.119 742 T CA -0.654 61.297 62.100 -0.249 0.000 1.007 742 T CB 1.413 70.185 68.868 -0.160 0.000 1.225 742 T HN 0.292 nan 8.240 nan 0.000 0.515 743 M N 2.329 121.859 119.600 -0.117 0.000 2.342 743 M HA 0.486 5.004 4.480 0.064 0.000 0.332 743 M C -0.970 175.199 176.300 -0.218 0.000 1.166 743 M CA -0.542 54.702 55.300 -0.094 0.000 1.086 743 M CB 1.145 33.744 32.600 -0.001 0.000 1.541 743 M HN 0.482 nan 8.290 nan 0.000 0.462 744 I N 2.079 122.492 120.570 -0.262 0.000 2.437 744 I HA 0.157 4.366 4.170 0.064 0.000 0.279 744 I C 0.505 176.596 176.117 -0.043 0.000 1.028 744 I CA 0.293 61.416 61.300 -0.295 0.000 1.142 744 I CB 0.601 38.224 38.000 -0.628 0.000 1.266 744 I HN 0.733 nan 8.210 nan 0.000 0.461 745 E N 4.930 125.120 120.200 -0.017 0.000 2.713 745 E HA 0.244 4.632 4.350 0.064 0.000 0.199 745 E C -0.651 175.974 176.600 0.042 0.000 0.940 745 E CA -0.185 56.246 56.400 0.052 0.000 1.310 745 E CB 0.580 30.323 29.700 0.072 0.000 1.129 745 E HN 0.270 nan 8.360 nan 0.000 0.557 746 I N 2.139 122.715 120.570 0.010 0.000 2.436 746 I HA 0.320 4.528 4.170 0.064 0.000 0.289 746 I C -1.915 174.199 176.117 -0.005 0.000 1.010 746 I CA -2.911 58.394 61.300 0.007 0.000 1.098 746 I CB 1.984 39.982 38.000 -0.002 0.000 1.266 746 I HN -0.200 nan 8.210 nan 0.000 0.434 747 P HA -0.189 nan 4.420 nan 0.000 0.216 747 P C 1.730 179.020 177.300 -0.016 0.000 1.154 747 P CA 1.341 64.435 63.100 -0.011 0.000 0.865 747 P CB 0.157 31.845 31.700 -0.021 0.000 0.789 748 R N -0.412 120.078 120.500 -0.017 0.000 2.117 748 R HA -0.174 4.204 4.340 0.064 0.000 0.243 748 R C 2.076 178.358 176.300 -0.030 0.000 1.143 748 R CA 1.687 57.776 56.100 -0.018 0.000 0.968 748 R CB -0.821 29.469 30.300 -0.015 0.000 0.863 748 R HN 0.094 nan 8.270 nan 0.000 0.444 749 A N 0.282 123.072 122.820 -0.050 0.000 1.933 749 A HA -0.116 4.242 4.320 0.064 0.000 0.218 749 A C 2.282 179.797 177.584 -0.114 0.000 1.175 749 A CA 1.712 53.688 52.037 -0.102 0.000 0.628 749 A CB -0.666 18.247 19.000 -0.147 0.000 0.814 749 A HN 0.524 nan 8.150 nan 0.000 0.444 750 A N -0.486 122.299 122.820 -0.059 0.000 1.929 750 A HA 0.113 4.471 4.320 0.064 0.000 0.216 750 A C 2.088 179.685 177.584 0.021 0.000 1.176 750 A CA 1.204 53.239 52.037 -0.003 0.000 0.628 750 A CB -0.515 18.521 19.000 0.060 0.000 0.816 750 A HN 0.443 nan 8.150 nan 0.000 0.444 751 L N -0.110 121.117 121.223 0.007 0.000 2.131 751 L HA -0.100 4.278 4.340 0.064 0.000 0.210 751 L C 2.200 179.081 176.870 0.018 0.000 1.092 751 L CA 1.653 56.501 54.840 0.012 0.000 0.759 751 L CB -0.344 41.715 42.059 0.000 0.000 0.903 751 L HN 0.609 nan 8.230 nan 0.000 0.435 752 T N -4.527 110.034 114.554 0.012 0.000 3.228 752 T HA 0.388 4.776 4.350 0.064 0.000 0.278 752 T C 1.501 176.226 174.700 0.041 0.000 1.014 752 T CA 0.234 62.347 62.100 0.022 0.000 0.904 752 T CB 0.566 69.441 68.868 0.011 0.000 1.110 752 T HN 0.143 nan 8.240 nan 0.000 0.541 753 A N 3.055 125.907 122.820 0.054 0.000 2.009 753 A HA -0.232 4.126 4.320 0.064 0.000 0.222 753 A C 2.161 179.884 177.584 0.232 0.000 1.175 753 A CA 2.148 54.265 52.037 0.133 0.000 0.651 753 A CB -0.777 18.340 19.000 0.194 0.000 0.815 753 A HN 0.792 nan 8.150 nan 0.000 0.459 754 D N 0.202 120.687 120.400 0.142 0.000 2.178 754 D HA -0.010 4.668 4.640 0.064 0.000 0.201 754 D C 1.773 178.121 176.300 0.080 0.000 0.980 754 D CA 1.459 55.520 54.000 0.101 0.000 0.842 754 D CB -0.706 40.132 40.800 0.063 0.000 0.948 754 D HN 0.446 nan 8.370 nan 0.000 0.472 755 A N 0.891 123.753 122.820 0.071 0.000 1.874 755 A HA 0.020 4.378 4.320 0.064 0.000 0.214 755 A C 2.328 179.952 177.584 0.066 0.000 1.189 755 A CA 0.572 52.641 52.037 0.052 0.000 0.615 755 A CB -0.404 18.617 19.000 0.035 0.000 0.830 755 A HN 0.119 nan 8.150 nan 0.000 0.443 756 I N 0.543 121.166 120.570 0.088 0.000 2.208 756 I HA -0.271 3.937 4.170 0.064 0.000 0.245 756 I C 2.859 179.077 176.117 0.168 0.000 1.097 756 I CA 1.552 62.915 61.300 0.105 0.000 1.363 756 I CB -1.553 36.486 38.000 0.066 0.000 1.051 756 I HN 0.361 nan 8.210 nan 0.000 0.413 757 A N 0.071 123.024 122.820 0.220 0.000 2.131 757 A HA -0.207 4.152 4.320 0.064 0.000 0.220 757 A C 2.179 179.768 177.584 0.007 0.000 1.158 757 A CA 1.339 53.422 52.037 0.076 0.000 0.665 757 A CB -0.657 18.325 19.000 -0.030 0.000 0.795 757 A HN 0.504 nan 8.150 nan 0.000 0.460 758 E N -0.694 119.522 120.200 0.028 0.000 2.204 758 E HA -0.147 4.241 4.350 0.064 0.000 0.194 758 E C 1.638 178.241 176.600 0.004 0.000 0.989 758 E CA 1.148 57.553 56.400 0.009 0.000 0.824 758 E CB 0.075 29.785 29.700 0.017 0.000 0.756 758 E HN 0.606 nan 8.360 nan 0.000 0.477 759 E N -0.204 120.005 120.200 0.014 0.000 2.256 759 E HA 0.132 4.520 4.350 0.064 0.000 0.198 759 E C 0.433 177.023 176.600 -0.016 0.000 0.908 759 E CA 0.153 56.556 56.400 0.004 0.000 0.915 759 E CB 0.134 29.843 29.700 0.014 0.000 0.890 759 E HN 0.048 nan 8.360 nan 0.000 0.484 760 A N 2.057 124.871 122.820 -0.010 0.000 2.454 760 A HA 0.078 4.436 4.320 0.064 0.000 0.260 760 A C 0.667 178.179 177.584 -0.121 0.000 1.106 760 A CA 0.003 51.999 52.037 -0.068 0.000 0.780 760 A CB 0.099 19.137 19.000 0.064 0.000 1.044 760 A HN 0.048 nan 8.150 nan 0.000 0.498 761 E N 0.966 121.078 120.200 -0.146 0.000 2.478 761 E HA 0.200 4.588 4.350 0.064 0.000 0.194 761 E C -0.659 175.949 176.600 0.014 0.000 1.045 761 E CA 0.385 56.752 56.400 -0.054 0.000 0.868 761 E CB -0.032 29.708 29.700 0.067 0.000 0.885 761 E HN 0.736 nan 8.360 nan 0.000 0.505 762 F N -2.210 117.696 119.950 -0.074 0.000 2.744 762 F HA 0.500 5.065 4.527 0.063 0.000 0.311 762 F C -1.671 174.188 175.800 0.099 0.000 1.144 762 F CA -1.661 56.287 58.000 -0.087 0.000 0.938 762 F CB 0.744 39.738 39.000 -0.011 0.000 1.292 762 F HN -0.385 nan 8.300 nan 0.000 0.444 763 F N 1.571 121.558 119.950 0.062 0.000 2.482 763 F HA 0.701 5.269 4.527 0.069 0.000 0.331 763 F C 0.087 175.823 175.800 -0.106 0.000 1.115 763 F CA -1.562 56.326 58.000 -0.186 0.000 0.955 763 F CB 1.903 40.635 39.000 -0.446 0.000 1.136 763 F HN 0.680 nan 8.300 nan 0.000 0.452 764 S N 3.294 119.031 115.700 0.061 0.000 2.478 764 S HA 0.631 5.140 4.470 0.064 0.000 0.312 764 S C -1.033 173.485 174.600 -0.135 0.000 1.094 764 S CA -0.399 57.830 58.200 0.047 0.000 1.081 764 S CB 0.211 63.551 63.200 0.234 0.000 1.007 764 S HN 0.267 nan 8.310 nan 0.000 0.475 765 F N 3.325 123.329 119.950 0.089 0.000 2.434 765 F HA 0.358 4.921 4.527 0.060 0.000 0.358 765 F C 1.383 177.234 175.800 0.085 0.000 1.136 765 F CA -0.434 57.601 58.000 0.057 0.000 1.157 765 F CB 0.609 39.639 39.000 0.050 0.000 1.167 765 F HN 0.691 nan 8.300 nan 0.000 0.539 766 G N 1.792 110.722 108.800 0.217 0.000 2.639 766 G HA2 0.274 4.272 3.960 0.064 0.000 0.312 766 G HA3 0.274 4.272 3.960 0.064 0.000 0.312 766 G C 0.880 175.909 174.900 0.215 0.000 0.911 766 G CA -0.359 44.858 45.100 0.194 0.000 1.410 766 G HN 0.722 nan 8.290 nan 0.000 0.469 767 T N -0.367 114.342 114.554 0.258 0.000 3.118 767 T HA -0.063 4.325 4.350 0.064 0.000 0.260 767 T C 1.833 176.730 174.700 0.330 0.000 1.139 767 T CA 0.244 62.499 62.100 0.258 0.000 1.085 767 T CB 0.076 69.081 68.868 0.228 0.000 0.934 767 T HN 0.282 nan 8.240 nan 0.000 0.518 768 N N 2.256 121.134 118.700 0.298 0.000 2.080 768 N HA -0.078 4.701 4.740 0.064 0.000 0.189 768 N C 1.563 177.246 175.510 0.288 0.000 1.036 768 N CA 1.375 54.617 53.050 0.320 0.000 0.846 768 N CB -0.436 38.181 38.487 0.217 0.000 1.015 768 N HN 0.405 nan 8.380 nan 0.000 0.423 769 D N 0.965 121.489 120.400 0.206 0.000 2.084 769 D HA -0.110 4.568 4.640 0.064 0.000 0.194 769 D C 2.121 178.510 176.300 0.148 0.000 0.990 769 D CA 0.492 54.591 54.000 0.166 0.000 0.826 769 D CB -0.299 40.576 40.800 0.125 0.000 0.971 769 D HN 0.038 nan 8.370 nan 0.000 0.453 770 L N 1.125 122.426 121.223 0.131 0.000 2.013 770 L HA -0.192 4.186 4.340 0.064 0.000 0.212 770 L C 2.332 179.247 176.870 0.075 0.000 1.073 770 L CA 1.848 56.741 54.840 0.088 0.000 0.753 770 L CB -1.031 41.079 42.059 0.086 0.000 0.890 770 L HN -0.020 nan 8.230 nan 0.000 0.432 771 T N -0.962 113.647 114.554 0.092 0.000 2.788 771 T HA -0.203 4.185 4.350 0.064 0.000 0.268 771 T C 1.819 176.594 174.700 0.124 0.000 1.044 771 T CA 1.484 63.627 62.100 0.071 0.000 1.139 771 T CB -0.167 68.657 68.868 -0.072 0.000 0.867 771 T HN 0.477 nan 8.240 nan 0.000 0.454 772 Q N 0.175 120.107 119.800 0.220 0.000 2.084 772 Q HA 0.027 4.405 4.340 0.064 0.000 0.202 772 Q C 2.251 178.322 176.000 0.119 0.000 0.978 772 Q CA 1.222 57.184 55.803 0.266 0.000 0.844 772 Q CB -0.218 28.696 28.738 0.293 0.000 0.898 772 Q HN 0.533 nan 8.270 nan 0.000 0.426 773 M N -0.758 118.895 119.600 0.089 0.000 2.447 773 M HA -0.055 4.463 4.480 0.064 0.000 0.264 773 M C 1.840 178.133 176.300 -0.011 0.000 1.095 773 M CA 0.905 56.231 55.300 0.043 0.000 1.125 773 M CB 0.268 32.895 32.600 0.044 0.000 1.389 773 M HN 0.093 nan 8.290 nan 0.000 0.459 774 T N -0.163 114.373 114.554 -0.029 0.000 2.851 774 T HA -0.005 4.383 4.350 0.064 0.000 0.262 774 T C 1.243 175.800 174.700 -0.239 0.000 1.043 774 T CA 1.147 63.169 62.100 -0.129 0.000 1.140 774 T CB -0.160 68.618 68.868 -0.150 0.000 0.872 774 T HN 0.215 nan 8.240 nan 0.000 0.446 775 F N 0.941 120.699 119.950 -0.320 0.000 2.615 775 F HA 0.298 4.857 4.527 0.054 0.000 0.297 775 F C 1.938 177.444 175.800 -0.490 0.000 1.124 775 F CA 0.357 58.044 58.000 -0.522 0.000 1.451 775 F CB -0.155 38.217 39.000 -1.048 0.000 1.103 775 F HN 0.323 nan 8.300 nan 0.000 0.569 776 G N 0.722 109.445 108.800 -0.128 0.000 2.160 776 G HA2 -0.284 3.714 3.960 0.064 0.000 0.244 776 G HA3 -0.284 3.714 3.960 0.064 0.000 0.244 776 G C -0.200 174.810 174.900 0.183 0.000 1.022 776 G CA 0.268 45.374 45.100 0.009 0.000 0.741 776 G HN 0.384 nan 8.290 nan 0.000 0.508 777 F N -1.138 118.979 119.950 0.279 0.000 2.668 777 F HA 0.824 5.374 4.527 0.038 0.000 0.309 777 F C 0.019 175.963 175.800 0.241 0.000 1.117 777 F CA -1.883 56.277 58.000 0.267 0.000 0.951 777 F CB 0.595 39.822 39.000 0.378 0.000 1.323 777 F HN 0.496 nan 8.300 nan 0.000 0.451 778 S N 0.927 116.882 115.700 0.426 0.000 2.584 778 S HA 0.364 4.872 4.470 0.064 0.000 0.273 778 S C 0.974 175.594 174.600 0.034 0.000 1.311 778 S CA -0.603 57.714 58.200 0.195 0.000 1.034 778 S CB 1.768 65.016 63.200 0.080 0.000 0.939 778 S HN 1.004 nan 8.310 nan 0.000 0.513 779 R N 1.152 121.472 120.500 -0.300 0.000 2.096 779 R HA -0.132 4.246 4.340 0.064 0.000 0.235 779 R C 0.925 176.965 176.300 -0.434 0.000 1.127 779 R CA 1.898 57.507 56.100 -0.819 0.000 0.968 779 R CB -0.557 29.013 30.300 -1.217 0.000 0.861 779 R HN 0.819 nan 8.270 nan 0.000 0.440 780 D N 0.087 120.327 120.400 -0.266 0.000 2.218 780 D HA -0.124 4.554 4.640 0.064 0.000 0.204 780 D C 0.879 177.077 176.300 -0.171 0.000 0.976 780 D CA 1.197 55.079 54.000 -0.197 0.000 0.853 780 D CB 0.091 40.811 40.800 -0.133 0.000 0.939 780 D HN 0.270 nan 8.370 nan 0.000 0.481 781 D N -0.788 119.529 120.400 -0.138 0.000 2.367 781 D HA 0.110 4.788 4.640 0.064 0.000 0.207 781 D C 1.713 177.881 176.300 -0.221 0.000 1.034 781 D CA 0.164 54.103 54.000 -0.102 0.000 0.861 781 D CB 0.210 41.015 40.800 0.008 0.000 0.943 781 D HN 0.126 nan 8.370 nan 0.000 0.515 782 A N 1.036 123.603 122.820 -0.422 0.000 2.121 782 A HA 0.033 4.392 4.320 0.064 0.000 0.218 782 A C 2.267 179.161 177.584 -1.150 0.000 1.154 782 A CA 1.453 52.852 52.037 -1.062 0.000 0.679 782 A CB -0.765 17.678 19.000 -0.929 0.000 0.795 782 A HN 0.259 nan 8.150 nan 0.000 0.458 783 G N 0.973 109.418 108.800 -0.593 0.000 2.432 783 G HA2 -0.234 3.764 3.960 0.064 0.000 0.219 783 G HA3 -0.234 3.764 3.960 0.064 0.000 0.219 783 G C 1.371 176.034 174.900 -0.396 0.000 1.135 783 G CA 0.915 45.755 45.100 -0.433 0.000 0.767 783 G HN 0.748 nan 8.290 nan 0.000 0.550 784 K N 0.106 120.311 120.400 -0.325 0.000 2.611 784 K HA 0.184 4.542 4.320 0.064 0.000 0.193 784 K C 0.894 177.456 176.600 -0.064 0.000 1.026 784 K CA 0.682 56.886 56.287 -0.139 0.000 1.063 784 K CB -0.266 32.221 32.500 -0.021 0.000 0.839 784 K HN 0.613 nan 8.250 nan 0.000 0.505 785 F N -4.288 115.496 119.950 -0.276 0.000 3.043 785 F HA 0.248 4.803 4.527 0.046 0.000 0.400 785 F C 0.881 176.370 175.800 -0.518 0.000 1.022 785 F CA -0.745 57.049 58.000 -0.344 0.000 1.005 785 F CB -0.170 38.582 39.000 -0.413 0.000 1.338 785 F HN -0.218 nan 8.300 nan 0.000 0.543 786 L N 2.003 122.644 121.223 -0.970 0.000 2.083 786 L HA -0.072 4.306 4.340 0.064 0.000 0.209 786 L C 1.874 178.278 176.870 -0.777 0.000 1.083 786 L CA 2.098 56.392 54.840 -0.911 0.000 0.752 786 L CB -1.184 40.418 42.059 -0.762 0.000 0.899 786 L HN 0.371 nan 8.230 nan 0.000 0.433 787 D N -1.833 118.353 120.400 -0.356 0.000 2.149 787 D HA -0.125 4.553 4.640 0.064 0.000 0.201 787 D C 2.165 178.459 176.300 -0.010 0.000 0.972 787 D CA 1.100 55.070 54.000 -0.051 0.000 0.835 787 D CB 0.299 41.116 40.800 0.028 0.000 0.966 787 D HN 0.190 nan 8.370 nan 0.000 0.476 788 S N -0.863 114.839 115.700 0.002 0.000 2.402 788 S HA -0.119 4.389 4.470 0.064 0.000 0.229 788 S C 1.480 176.143 174.600 0.105 0.000 1.021 788 S CA 0.448 58.695 58.200 0.078 0.000 0.974 788 S CB -0.302 62.972 63.200 0.124 0.000 0.800 788 S HN 0.353 nan 8.310 nan 0.000 0.484 789 Y N 0.530 120.680 120.300 -0.249 0.000 2.200 789 Y HA -0.055 4.537 4.550 0.070 0.000 0.290 789 Y C 2.079 177.839 175.900 -0.233 0.000 1.137 789 Y CA 0.218 58.110 58.100 -0.348 0.000 1.163 789 Y CB -0.883 37.193 38.460 -0.640 0.000 0.988 789 Y HN 0.251 nan 8.280 nan 0.000 0.518 790 Y N 0.171 120.545 120.300 0.124 0.000 2.089 790 Y HA -0.203 4.386 4.550 0.065 0.000 0.282 790 Y C 2.329 178.242 175.900 0.021 0.000 1.139 790 Y CA 1.042 59.184 58.100 0.069 0.000 1.123 790 Y CB -1.012 37.470 38.460 0.036 0.000 0.980 790 Y HN -0.021 nan 8.280 nan 0.000 0.493 791 K N -0.182 120.318 120.400 0.166 0.000 2.113 791 K HA -0.172 4.186 4.320 0.064 0.000 0.208 791 K C 1.996 178.619 176.600 0.038 0.000 1.047 791 K CA 1.449 57.785 56.287 0.082 0.000 0.928 791 K CB -0.387 32.149 32.500 0.061 0.000 0.716 791 K HN 0.276 nan 8.250 nan 0.000 0.446 792 A N 0.578 123.405 122.820 0.013 0.000 2.251 792 A HA 0.025 4.383 4.320 0.064 0.000 0.209 792 A C 0.378 177.942 177.584 -0.033 0.000 1.187 792 A CA 0.396 52.416 52.037 -0.028 0.000 0.823 792 A CB -0.159 18.790 19.000 -0.085 0.000 0.846 792 A HN 0.325 nan 8.150 nan 0.000 0.486 793 K N -2.149 118.255 120.400 0.007 0.000 3.529 793 K HA -0.240 4.118 4.320 0.064 0.000 0.313 793 K C 0.801 177.415 176.600 0.023 0.000 1.316 793 K CA 1.224 57.527 56.287 0.027 0.000 0.988 793 K CB -2.035 30.467 32.500 0.005 0.000 1.252 793 K HN 0.573 nan 8.250 nan 0.000 0.438 794 I N -0.048 120.473 120.570 -0.082 0.000 2.194 794 I HA -0.237 3.972 4.170 0.064 0.000 0.246 794 I C 0.838 177.046 176.117 0.152 0.000 1.093 794 I CA 1.369 62.580 61.300 -0.149 0.000 1.355 794 I CB -0.170 37.462 38.000 -0.614 0.000 1.046 794 I HN 0.070 nan 8.210 nan 0.000 0.413 795 Y N 0.077 120.449 120.300 0.119 0.000 2.446 795 Y HA 0.323 4.908 4.550 0.058 0.000 0.345 795 Y C 0.827 176.859 175.900 0.221 0.000 0.984 795 Y CA -1.890 56.330 58.100 0.200 0.000 1.058 795 Y CB 1.054 39.674 38.460 0.267 0.000 1.220 795 Y HN -0.017 nan 8.280 nan 0.000 0.455 796 E N 0.530 120.913 120.200 0.304 0.000 2.526 796 E HA 0.247 4.635 4.350 0.064 0.000 0.208 796 E C -0.512 176.139 176.600 0.086 0.000 0.997 796 E CA 0.139 56.631 56.400 0.153 0.000 0.961 796 E CB 0.802 30.527 29.700 0.042 0.000 1.030 796 E HN 0.364 nan 8.360 nan 0.000 0.483 797 S N 0.899 116.687 115.700 0.147 0.000 2.541 797 S HA 0.131 4.639 4.470 0.064 0.000 0.271 797 S C -1.270 173.413 174.600 0.138 0.000 1.133 797 S CA -0.971 57.256 58.200 0.046 0.000 0.876 797 S CB 2.202 65.393 63.200 -0.015 0.000 1.105 797 S HN 0.112 nan 8.310 nan 0.000 0.470 798 D N 2.773 123.218 120.400 0.075 0.000 2.339 798 D HA 0.243 4.921 4.640 0.064 0.000 0.256 798 D C -1.235 175.048 176.300 -0.029 0.000 1.214 798 D CA -1.960 52.139 54.000 0.165 0.000 0.877 798 D CB 1.108 41.975 40.800 0.111 0.000 1.111 798 D HN 0.094 nan 8.370 nan 0.000 0.478 799 P HA -0.120 nan 4.420 nan 0.000 0.222 799 P C 1.063 178.107 177.300 -0.428 0.000 1.147 799 P CA 0.753 63.544 63.100 -0.516 0.000 0.790 799 P CB 0.016 30.998 31.700 -1.197 0.000 0.780 800 F N 0.257 120.225 119.950 0.030 0.000 2.416 800 F HA 0.160 4.723 4.527 0.060 0.000 0.296 800 F C 2.585 178.293 175.800 -0.154 0.000 1.099 800 F CA 0.926 58.933 58.000 0.012 0.000 1.427 800 F CB -0.966 38.020 39.000 -0.023 0.000 1.079 800 F HN -0.043 nan 8.300 nan 0.000 0.536 801 A N -0.564 122.269 122.820 0.022 0.000 1.942 801 A HA 0.133 4.491 4.320 0.064 0.000 0.209 801 A C 1.253 178.852 177.584 0.025 0.000 1.214 801 A CA 0.057 52.072 52.037 -0.037 0.000 0.686 801 A CB -0.019 18.981 19.000 0.000 0.000 0.871 801 A HN 0.144 nan 8.150 nan 0.000 0.460 802 R N 0.508 121.066 120.500 0.096 0.000 2.393 802 R HA 0.449 4.827 4.340 0.064 0.000 0.315 802 R C -1.219 175.147 176.300 0.109 0.000 0.952 802 R CA -0.791 55.380 56.100 0.117 0.000 0.842 802 R CB 0.789 31.098 30.300 0.015 0.000 1.163 802 R HN 0.251 nan 8.270 nan 0.000 0.450 803 L N 4.068 125.335 121.223 0.074 0.000 2.640 803 L HA -0.059 4.319 4.340 0.064 0.000 0.280 803 L C -0.241 176.455 176.870 -0.291 0.000 1.229 803 L CA 0.852 55.499 54.840 -0.322 0.000 0.919 803 L CB 0.254 42.101 42.059 -0.354 0.000 1.168 803 L HN 0.598 nan 8.230 nan 0.000 0.496 804 D N 3.806 124.022 120.400 -0.307 0.000 2.455 804 D HA 0.052 4.730 4.640 0.064 0.000 0.234 804 D C 0.998 177.090 176.300 -0.345 0.000 1.224 804 D CA 0.162 54.039 54.000 -0.204 0.000 0.999 804 D CB 0.526 41.326 40.800 0.000 0.000 1.072 804 D HN 0.688 nan 8.370 nan 0.000 0.514 805 Q N 1.394 120.949 119.800 -0.409 0.000 2.045 805 Q HA -0.179 4.199 4.340 0.064 0.000 0.206 805 Q C 1.647 177.441 176.000 -0.344 0.000 0.991 805 Q CA 1.911 57.340 55.803 -0.625 0.000 0.851 805 Q CB -0.283 28.179 28.738 -0.460 0.000 0.911 805 Q HN 0.495 nan 8.270 nan 0.000 0.418 806 T N 0.216 114.664 114.554 -0.177 0.000 2.699 806 T HA -0.178 4.210 4.350 0.064 0.000 0.268 806 T C 1.616 176.236 174.700 -0.133 0.000 1.036 806 T CA 1.450 63.488 62.100 -0.103 0.000 1.147 806 T CB -0.474 68.353 68.868 -0.070 0.000 0.862 806 T HN 0.574 nan 8.240 nan 0.000 0.446 807 G N 0.277 108.958 108.800 -0.197 0.000 2.728 807 G HA2 0.080 4.078 3.960 0.064 0.000 0.223 807 G HA3 0.080 4.078 3.960 0.064 0.000 0.223 807 G C 1.585 176.347 174.900 -0.229 0.000 1.379 807 G CA 0.310 45.269 45.100 -0.235 0.000 0.870 807 G HN 0.325 nan 8.290 nan 0.000 0.591 808 V N 2.117 121.878 119.914 -0.256 0.000 2.392 808 V HA -0.109 4.049 4.120 0.064 0.000 0.249 808 V C 3.122 179.066 176.094 -0.249 0.000 1.059 808 V CA 2.181 64.348 62.300 -0.221 0.000 1.051 808 V CB -1.016 30.682 31.823 -0.208 0.000 0.658 808 V HN 0.455 nan 8.190 nan 0.000 0.455 809 G N -1.321 107.259 108.800 -0.366 0.000 2.450 809 G HA2 -0.285 3.713 3.960 0.064 0.000 0.220 809 G HA3 -0.285 3.713 3.960 0.064 0.000 0.220 809 G C 1.469 176.352 174.900 -0.029 0.000 1.130 809 G CA 0.748 45.563 45.100 -0.476 0.000 0.760 809 G HN 0.546 nan 8.290 nan 0.000 0.557 810 Q N -0.444 119.329 119.800 -0.044 0.000 2.135 810 Q HA 0.007 4.385 4.340 0.064 0.000 0.204 810 Q C 2.595 178.600 176.000 0.008 0.000 0.981 810 Q CA 0.889 56.703 55.803 0.018 0.000 0.856 810 Q CB -0.200 28.525 28.738 -0.023 0.000 0.902 810 Q HN 0.473 nan 8.270 nan 0.000 0.425 811 L N -0.514 120.688 121.223 -0.036 0.000 2.179 811 L HA -0.111 4.267 4.340 0.064 0.000 0.208 811 L C 2.228 179.095 176.870 -0.004 0.000 1.096 811 L CA 0.353 55.184 54.840 -0.014 0.000 0.779 811 L CB -0.149 41.891 42.059 -0.032 0.000 0.922 811 L HN 0.068 nan 8.230 nan 0.000 0.443 812 V N -0.117 119.729 119.914 -0.114 0.000 2.283 812 V HA -0.263 3.895 4.120 0.064 0.000 0.243 812 V C 2.419 178.428 176.094 -0.142 0.000 1.039 812 V CA 1.834 63.900 62.300 -0.389 0.000 1.016 812 V CB -0.316 31.180 31.823 -0.545 0.000 0.650 812 V HN 0.466 nan 8.190 nan 0.000 0.449 813 E N -0.032 120.173 120.200 0.008 0.000 2.021 813 E HA -0.327 4.061 4.350 0.064 0.000 0.200 813 E C 2.303 178.937 176.600 0.056 0.000 1.015 813 E CA 2.353 58.760 56.400 0.012 0.000 0.824 813 E CB -0.283 29.434 29.700 0.030 0.000 0.762 813 E HN 0.484 nan 8.360 nan 0.000 0.454 814 M N 0.306 119.945 119.600 0.064 0.000 2.103 814 M HA -0.288 4.230 4.480 0.064 0.000 0.255 814 M C 2.206 178.593 176.300 0.144 0.000 1.074 814 M CA 2.220 57.569 55.300 0.082 0.000 1.090 814 M CB -0.223 32.412 32.600 0.059 0.000 1.325 814 M HN 0.283 nan 8.290 nan 0.000 0.403 815 A N -0.510 122.437 122.820 0.212 0.000 1.877 815 A HA -0.132 4.226 4.320 0.064 0.000 0.216 815 A C 2.024 179.896 177.584 0.481 0.000 1.186 815 A CA 1.969 54.209 52.037 0.338 0.000 0.620 815 A CB -1.157 18.125 19.000 0.469 0.000 0.822 815 A HN 0.445 nan 8.150 nan 0.000 0.443 816 V N 0.338 120.544 119.914 0.488 0.000 2.332 816 V HA -0.299 3.859 4.120 0.064 0.000 0.248 816 V C 2.565 178.770 176.094 0.185 0.000 1.055 816 V CA 2.515 65.038 62.300 0.372 0.000 1.038 816 V CB -0.695 31.297 31.823 0.281 0.000 0.651 816 V HN 0.718 nan 8.190 nan 0.000 0.450 817 K N 0.153 120.635 120.400 0.137 0.000 2.025 817 K HA -0.180 4.178 4.320 0.064 0.000 0.207 817 K C 2.247 178.895 176.600 0.079 0.000 1.049 817 K CA 1.478 57.810 56.287 0.076 0.000 0.933 817 K CB -0.111 32.422 32.500 0.054 0.000 0.714 817 K HN 0.383 nan 8.250 nan 0.000 0.438 818 K N -0.353 120.115 120.400 0.112 0.000 2.097 818 K HA -0.052 4.306 4.320 0.064 0.000 0.205 818 K C 2.226 178.892 176.600 0.109 0.000 1.050 818 K CA 1.190 57.537 56.287 0.099 0.000 0.938 818 K CB -0.214 32.349 32.500 0.105 0.000 0.718 818 K HN 0.338 nan 8.250 nan 0.000 0.442 819 G N 1.805 110.715 108.800 0.182 0.000 2.440 819 G HA2 -0.269 3.729 3.960 0.064 0.000 0.218 819 G HA3 -0.269 3.729 3.960 0.064 0.000 0.218 819 G C 1.452 176.313 174.900 -0.065 0.000 1.154 819 G CA 0.510 45.665 45.100 0.092 0.000 0.767 819 G HN 0.256 nan 8.290 nan 0.000 0.552 820 R N 0.166 120.642 120.500 -0.040 0.000 2.339 820 R HA 0.062 4.440 4.340 0.064 0.000 0.199 820 R C 2.493 178.776 176.300 -0.028 0.000 1.018 820 R CA 0.471 56.538 56.100 -0.055 0.000 1.036 820 R CB -0.015 30.261 30.300 -0.040 0.000 0.899 820 R HN 0.513 nan 8.270 nan 0.000 0.473 821 Q N -0.648 119.149 119.800 -0.005 0.000 2.269 821 Q HA -0.054 4.324 4.340 0.064 0.000 0.201 821 Q C 1.777 177.772 176.000 -0.008 0.000 0.946 821 Q CA 1.660 57.462 55.803 -0.001 0.000 0.877 821 Q CB 0.381 29.127 28.738 0.014 0.000 0.963 821 Q HN 0.344 nan 8.270 nan 0.000 0.472 822 T N -2.431 112.116 114.554 -0.012 0.000 3.014 822 T HA 0.144 4.532 4.350 0.064 0.000 0.250 822 T C 0.857 175.534 174.700 -0.039 0.000 1.060 822 T CA -0.206 61.884 62.100 -0.016 0.000 1.040 822 T CB 0.375 69.243 68.868 -0.000 0.000 0.971 822 T HN -0.030 nan 8.240 nan 0.000 0.497 823 R N 1.000 121.461 120.500 -0.065 0.000 2.855 823 R HA 0.313 4.691 4.340 0.064 0.000 0.261 823 R C -2.671 173.573 176.300 -0.093 0.000 1.826 823 R CA -1.552 54.496 56.100 -0.087 0.000 1.435 823 R CB 1.124 31.346 30.300 -0.129 0.000 1.383 823 R HN 0.012 nan 8.270 nan 0.000 0.583 824 P HA -0.160 nan 4.420 nan 0.000 0.218 824 P C 0.930 178.192 177.300 -0.064 0.000 1.154 824 P CA 1.707 64.774 63.100 -0.055 0.000 0.872 824 P CB 0.246 31.923 31.700 -0.039 0.000 0.790 825 G N -1.256 107.502 108.800 -0.069 0.000 3.327 825 G HA2 0.089 4.087 3.960 0.064 0.000 0.240 825 G HA3 0.089 4.087 3.960 0.064 0.000 0.240 825 G C 0.091 174.936 174.900 -0.092 0.000 1.222 825 G CA -0.311 44.749 45.100 -0.068 0.000 0.871 825 G HN 0.195 nan 8.290 nan 0.000 0.525 826 L N 0.991 122.134 121.223 -0.133 0.000 2.628 826 L HA 0.237 4.615 4.340 0.064 0.000 0.274 826 L C -0.042 176.748 176.870 -0.133 0.000 1.209 826 L CA -0.188 54.532 54.840 -0.201 0.000 0.930 826 L CB 0.308 42.145 42.059 -0.371 0.000 1.183 826 L HN -0.172 nan 8.230 nan 0.000 0.492 827 K N 4.459 124.820 120.400 -0.064 0.000 2.297 827 K HA 0.346 4.704 4.320 0.064 0.000 0.286 827 K C -0.827 175.805 176.600 0.053 0.000 1.053 827 K CA 0.054 56.356 56.287 0.025 0.000 0.940 827 K CB 0.610 33.150 32.500 0.067 0.000 1.019 827 K HN 0.645 nan 8.250 nan 0.000 0.475 828 C N 2.606 121.928 119.300 0.037 0.000 2.369 828 C HA 0.821 5.319 4.460 0.064 0.000 0.322 828 C C 0.756 175.617 174.990 -0.215 0.000 1.258 828 C CA -0.815 58.223 59.018 0.032 0.000 1.487 828 C CB 0.981 28.837 27.740 0.193 0.000 2.165 828 C HN 0.901 nan 8.230 nan 0.000 0.483 829 G N 2.075 110.640 108.800 -0.391 0.000 3.108 829 G HA2 0.817 4.815 3.960 0.064 0.000 0.268 829 G HA3 0.817 4.815 3.960 0.064 0.000 0.268 829 G C -1.576 173.264 174.900 -0.099 0.000 1.361 829 G CA -0.282 44.272 45.100 -0.911 0.000 1.047 829 G HN 0.576 nan 8.290 nan 0.000 0.540 830 I N -0.244 120.316 120.570 -0.016 0.000 2.692 830 I HA 0.408 4.616 4.170 0.064 0.000 0.293 830 I C 0.028 176.268 176.117 0.204 0.000 1.200 830 I CA -1.013 60.413 61.300 0.211 0.000 1.036 830 I CB 1.604 39.727 38.000 0.206 0.000 1.258 830 I HN 0.769 nan 8.210 nan 0.000 0.421 831 C N 4.124 123.558 119.300 0.223 0.000 3.865 831 C HA 0.611 5.109 4.460 0.064 0.000 0.297 831 C C 1.004 176.103 174.990 0.181 0.000 1.758 831 C CA 0.049 59.189 59.018 0.204 0.000 1.778 831 C CB -0.677 27.189 27.740 0.209 0.000 3.158 831 C HN 0.758 nan 8.230 nan 0.000 0.598 832 G N 0.752 109.677 108.800 0.209 0.000 2.631 832 G HA2 0.291 4.290 3.960 0.064 0.000 0.271 832 G HA3 0.291 4.290 3.960 0.064 0.000 0.271 832 G C 0.695 175.665 174.900 0.117 0.000 1.302 832 G CA 0.447 45.665 45.100 0.196 0.000 1.002 832 G HN 0.579 nan 8.290 nan 0.000 0.519 833 E N -1.117 119.070 120.200 -0.023 0.000 2.153 833 E HA -0.194 4.194 4.350 0.064 0.000 0.194 833 E C 1.983 178.504 176.600 -0.132 0.000 0.988 833 E CA 1.365 57.694 56.400 -0.119 0.000 0.811 833 E CB -0.131 29.443 29.700 -0.210 0.000 0.746 833 E HN 0.697 nan 8.360 nan 0.000 0.466 834 H N -0.741 118.372 119.070 0.070 0.000 2.426 834 H HA -0.073 4.519 4.556 0.060 0.000 0.298 834 H C 2.007 177.377 175.328 0.070 0.000 1.107 834 H CA 1.163 57.241 56.048 0.051 0.000 1.298 834 H CB -0.553 29.223 29.762 0.023 0.000 1.377 834 H HN 0.322 nan 8.280 nan 0.000 0.519 835 G N -0.047 108.866 108.800 0.190 0.000 2.537 835 G HA2 -0.207 3.791 3.960 0.064 0.000 0.220 835 G HA3 -0.207 3.791 3.960 0.064 0.000 0.220 835 G C 1.535 176.517 174.900 0.137 0.000 1.111 835 G CA 0.984 46.183 45.100 0.165 0.000 0.748 835 G HN 0.567 nan 8.290 nan 0.000 0.564 836 G N -0.807 108.059 108.800 0.109 0.000 3.519 836 G HA2 0.317 4.315 3.960 0.064 0.000 0.269 836 G HA3 0.317 4.315 3.960 0.064 0.000 0.269 836 G C -0.483 174.468 174.900 0.084 0.000 1.028 836 G CA 0.035 45.192 45.100 0.095 0.000 0.809 836 G HN 0.364 nan 8.290 nan 0.000 0.521 837 D N 0.029 120.485 120.400 0.092 0.000 2.280 837 D HA 0.424 5.102 4.640 0.064 0.000 0.236 837 D C -1.252 175.101 176.300 0.088 0.000 1.082 837 D CA -2.029 52.019 54.000 0.079 0.000 0.834 837 D CB 2.463 43.312 40.800 0.082 0.000 1.100 837 D HN -0.154 nan 8.370 nan 0.000 0.486 838 P HA -0.267 nan 4.420 nan 0.000 0.216 838 P C 1.328 178.679 177.300 0.085 0.000 1.167 838 P CA 2.087 65.233 63.100 0.077 0.000 0.914 838 P CB 0.013 31.751 31.700 0.063 0.000 0.793 839 S N -1.667 114.079 115.700 0.076 0.000 2.383 839 S HA -0.146 4.363 4.470 0.064 0.000 0.229 839 S C 2.061 176.727 174.600 0.111 0.000 1.030 839 S CA 1.833 60.085 58.200 0.086 0.000 1.002 839 S CB -1.528 61.709 63.200 0.061 0.000 0.829 839 S HN 0.051 nan 8.310 nan 0.000 0.467 840 S N 1.258 117.018 115.700 0.100 0.000 2.368 840 S HA 0.022 4.530 4.470 0.064 0.000 0.224 840 S C 1.895 176.591 174.600 0.160 0.000 1.029 840 S CA 1.160 59.426 58.200 0.111 0.000 0.988 840 S CB -0.517 62.763 63.200 0.133 0.000 0.838 840 S HN 0.430 nan 8.310 nan 0.000 0.462 841 V N 1.652 121.653 119.914 0.145 0.000 2.667 841 V HA -0.119 4.039 4.120 0.064 0.000 0.252 841 V C 2.395 178.588 176.094 0.165 0.000 1.065 841 V CA 1.635 64.027 62.300 0.152 0.000 1.083 841 V CB -0.507 31.397 31.823 0.135 0.000 0.692 841 V HN 0.526 nan 8.190 nan 0.000 0.468 842 E N -0.089 120.201 120.200 0.150 0.000 2.072 842 E HA -0.234 4.154 4.350 0.064 0.000 0.190 842 E C 2.096 178.802 176.600 0.177 0.000 0.982 842 E CA 1.294 57.773 56.400 0.131 0.000 0.803 842 E CB -0.228 29.528 29.700 0.093 0.000 0.755 842 E HN 0.528 nan 8.360 nan 0.000 0.453 843 F N 1.098 121.077 119.950 0.048 0.000 2.095 843 F HA -0.269 4.298 4.527 0.066 0.000 0.298 843 F C 2.251 178.066 175.800 0.026 0.000 1.104 843 F CA 1.669 59.683 58.000 0.024 0.000 1.232 843 F CB -0.487 38.502 39.000 -0.019 0.000 0.987 843 F HN 0.186 nan 8.300 nan 0.000 0.475 844 C N -0.155 119.270 119.300 0.209 0.000 2.398 844 C HA -0.259 4.239 4.460 0.064 0.000 0.276 844 C C 2.668 177.671 174.990 0.021 0.000 1.222 844 C CA 1.746 60.816 59.018 0.086 0.000 1.746 844 C CB -1.812 26.003 27.740 0.124 0.000 2.039 844 C HN 0.721 nan 8.230 nan 0.000 0.470 845 H N 1.191 120.261 119.070 -0.000 0.000 2.265 845 H HA -0.173 4.421 4.556 0.063 0.000 0.295 845 H C 2.171 177.460 175.328 -0.065 0.000 1.084 845 H CA 2.153 58.198 56.048 -0.005 0.000 1.261 845 H CB -0.166 29.609 29.762 0.023 0.000 1.360 845 H HN 0.389 nan 8.280 nan 0.000 0.487 846 K N -0.096 120.368 120.400 0.106 0.000 2.152 846 K HA -0.105 4.253 4.320 0.064 0.000 0.206 846 K C 1.886 178.352 176.600 -0.223 0.000 1.048 846 K CA 1.573 57.836 56.287 -0.040 0.000 0.933 846 K CB 0.052 32.498 32.500 -0.091 0.000 0.721 846 K HN 0.419 nan 8.250 nan 0.000 0.447 847 V N -3.174 116.537 119.914 -0.337 0.000 3.633 847 V HA 0.357 4.515 4.120 0.064 0.000 0.283 847 V C 0.923 176.921 176.094 -0.160 0.000 1.305 847 V CA 0.388 62.508 62.300 -0.300 0.000 1.153 847 V CB -0.241 31.329 31.823 -0.421 0.000 0.950 847 V HN 0.410 nan 8.190 nan 0.000 0.432 848 G N -0.022 108.683 108.800 -0.157 0.000 2.159 848 G HA2 -0.203 3.796 3.960 0.064 0.000 0.227 848 G HA3 -0.203 3.796 3.960 0.064 0.000 0.227 848 G C -0.217 174.654 174.900 -0.048 0.000 0.986 848 G CA 0.036 45.071 45.100 -0.108 0.000 0.651 848 G HN 0.465 nan 8.290 nan 0.000 0.523 849 L N 0.363 121.572 121.223 -0.024 0.000 2.492 849 L HA 0.286 4.664 4.340 0.064 0.000 0.280 849 L C 1.646 178.518 176.870 0.003 0.000 1.240 849 L CA 1.215 56.072 54.840 0.028 0.000 0.831 849 L CB 0.275 42.357 42.059 0.038 0.000 1.100 849 L HN 0.232 nan 8.230 nan 0.000 0.505 850 N N -0.482 118.227 118.700 0.014 0.000 2.368 850 N HA 0.068 4.847 4.740 0.064 0.000 0.176 850 N C -1.221 174.412 175.510 0.206 0.000 1.021 850 N CA 0.621 53.729 53.050 0.097 0.000 0.888 850 N CB 0.247 38.836 38.487 0.170 0.000 0.995 850 N HN 0.600 nan 8.380 nan 0.000 0.437 851 Y N -2.575 117.780 120.300 0.091 0.000 2.677 851 Y HA 0.562 5.151 4.550 0.064 0.000 0.334 851 Y C -1.208 174.769 175.900 0.129 0.000 1.196 851 Y CA -2.062 56.095 58.100 0.095 0.000 1.059 851 Y CB 0.550 39.051 38.460 0.069 0.000 1.315 851 Y HN -0.197 nan 8.280 nan 0.000 0.455 852 V N -0.459 119.645 119.914 0.316 0.000 3.019 852 V HA 0.935 5.093 4.120 0.064 0.000 0.317 852 V C -0.665 175.644 176.094 0.358 0.000 1.094 852 V CA -0.333 62.110 62.300 0.238 0.000 1.000 852 V CB 1.457 33.393 31.823 0.188 0.000 1.060 852 V HN 1.183 nan 8.190 nan 0.000 0.443 853 S N 1.450 117.321 115.700 0.286 0.000 2.619 853 S HA 0.806 5.314 4.470 0.064 0.000 0.280 853 S C -0.562 174.145 174.600 0.180 0.000 1.150 853 S CA -0.056 58.300 58.200 0.261 0.000 0.978 853 S CB 0.634 64.036 63.200 0.336 0.000 1.041 853 S HN 1.948 nan 8.310 nan 0.000 0.485 854 C N 2.009 121.394 119.300 0.142 0.000 3.213 854 C HA 0.854 5.352 4.460 0.064 0.000 0.319 854 C C 0.513 175.551 174.990 0.080 0.000 1.386 854 C CA -0.863 58.220 59.018 0.109 0.000 1.494 854 C CB 0.629 28.433 27.740 0.107 0.000 1.905 854 C HN 0.732 nan 8.230 nan 0.000 0.456 855 S N 2.653 118.385 115.700 0.054 0.000 2.563 855 S HA 0.182 4.690 4.470 0.064 0.000 0.284 855 S C -1.435 173.176 174.600 0.018 0.000 1.331 855 S CA -0.002 58.204 58.200 0.011 0.000 1.047 855 S CB 0.458 63.647 63.200 -0.017 0.000 0.859 855 S HN 0.752 nan 8.310 nan 0.000 0.514 856 P HA -0.188 nan 4.420 nan 0.000 0.214 856 P C 1.147 178.554 177.300 0.178 0.000 1.164 856 P CA 1.464 64.569 63.100 0.009 0.000 0.942 856 P CB -0.088 31.515 31.700 -0.161 0.000 0.791 857 F N -1.007 118.939 119.950 -0.007 0.000 2.449 857 F HA -0.128 4.438 4.527 0.064 0.000 0.299 857 F C 2.117 177.906 175.800 -0.018 0.000 1.092 857 F CA 0.987 58.970 58.000 -0.028 0.000 1.446 857 F CB -1.114 37.859 39.000 -0.044 0.000 1.084 857 F HN -0.026 nan 8.300 nan 0.000 0.567 858 R N -0.918 119.691 120.500 0.181 0.000 2.312 858 R HA 0.090 4.468 4.340 0.064 0.000 0.205 858 R C 2.075 178.447 176.300 0.120 0.000 0.904 858 R CA 0.194 56.367 56.100 0.121 0.000 1.052 858 R CB -0.073 30.284 30.300 0.095 0.000 1.014 858 R HN 0.132 nan 8.270 nan 0.000 0.503 859 V N 2.206 122.200 119.914 0.133 0.000 2.278 859 V HA -0.222 3.937 4.120 0.064 0.000 0.251 859 V C -0.866 175.315 176.094 0.146 0.000 1.062 859 V CA 2.105 64.485 62.300 0.133 0.000 1.038 859 V CB -1.221 30.682 31.823 0.134 0.000 0.646 859 V HN 0.222 nan 8.190 nan 0.000 0.447 860 P HA -0.122 nan 4.420 nan 0.000 0.216 860 P C 1.787 179.185 177.300 0.162 0.000 1.150 860 P CA 1.477 64.718 63.100 0.235 0.000 0.837 860 P CB -0.080 31.850 31.700 0.383 0.000 0.786 861 I N -0.643 120.005 120.570 0.129 0.000 2.226 861 I HA -0.239 3.969 4.170 0.064 0.000 0.245 861 I C 2.275 178.452 176.117 0.100 0.000 1.100 861 I CA 1.610 62.971 61.300 0.101 0.000 1.374 861 I CB -0.744 37.304 38.000 0.080 0.000 1.057 861 I HN -0.063 nan 8.210 nan 0.000 0.413 862 A N 0.626 123.512 122.820 0.110 0.000 1.970 862 A HA -0.096 4.262 4.320 0.064 0.000 0.216 862 A C 2.365 180.016 177.584 0.113 0.000 1.170 862 A CA 0.840 52.946 52.037 0.114 0.000 0.645 862 A CB -0.366 18.710 19.000 0.127 0.000 0.816 862 A HN 0.282 nan 8.150 nan 0.000 0.447 863 R N -1.048 119.517 120.500 0.107 0.000 2.073 863 R HA -0.093 4.285 4.340 0.064 0.000 0.234 863 R C 2.092 178.444 176.300 0.086 0.000 1.134 863 R CA 1.464 57.619 56.100 0.092 0.000 0.952 863 R CB -0.553 29.791 30.300 0.074 0.000 0.850 863 R HN 0.462 nan 8.270 nan 0.000 0.433 864 L N 0.870 122.141 121.223 0.079 0.000 2.027 864 L HA -0.054 4.324 4.340 0.064 0.000 0.206 864 L C 2.265 179.183 176.870 0.081 0.000 1.074 864 L CA 1.984 56.870 54.840 0.076 0.000 0.745 864 L CB -0.869 41.232 42.059 0.070 0.000 0.898 864 L HN 0.151 nan 8.230 nan 0.000 0.433 865 A N -0.351 122.518 122.820 0.082 0.000 1.917 865 A HA -0.195 4.163 4.320 0.064 0.000 0.219 865 A C 2.466 180.091 177.584 0.069 0.000 1.182 865 A CA 2.221 54.302 52.037 0.075 0.000 0.633 865 A CB -1.280 17.770 19.000 0.084 0.000 0.819 865 A HN 0.608 nan 8.150 nan 0.000 0.448 866 A N -0.247 122.628 122.820 0.093 0.000 1.883 866 A HA 0.118 4.476 4.320 0.064 0.000 0.217 866 A C 2.539 180.170 177.584 0.078 0.000 1.186 866 A CA 2.359 54.462 52.037 0.109 0.000 0.624 866 A CB -1.104 17.982 19.000 0.143 0.000 0.822 866 A HN 1.108 nan 8.150 nan 0.000 0.444 867 A N -0.599 122.282 122.820 0.102 0.000 1.858 867 A HA -0.227 4.131 4.320 0.064 0.000 0.216 867 A C 2.127 179.748 177.584 0.061 0.000 1.190 867 A CA 1.723 53.845 52.037 0.141 0.000 0.617 867 A CB -0.754 18.373 19.000 0.212 0.000 0.827 867 A HN 0.649 nan 8.150 nan 0.000 0.443 868 Q N -0.494 119.329 119.800 0.039 0.000 2.096 868 Q HA -0.166 4.212 4.340 0.064 0.000 0.204 868 Q C 2.386 178.333 176.000 -0.088 0.000 0.982 868 Q CA 1.517 57.311 55.803 -0.014 0.000 0.850 868 Q CB -0.485 28.259 28.738 0.009 0.000 0.901 868 Q HN 0.686 nan 8.270 nan 0.000 0.422 869 A N 1.250 123.990 122.820 -0.133 0.000 1.908 869 A HA -0.181 4.177 4.320 0.064 0.000 0.218 869 A C 2.321 179.554 177.584 -0.584 0.000 1.181 869 A CA 1.740 53.584 52.037 -0.322 0.000 0.627 869 A CB -0.849 17.947 19.000 -0.340 0.000 0.818 869 A HN 0.420 nan 8.150 nan 0.000 0.445 870 A N -0.283 122.248 122.820 -0.482 0.000 1.855 870 A HA -0.020 4.338 4.320 0.064 0.000 0.215 870 A C 2.194 179.711 177.584 -0.111 0.000 1.191 870 A CA 1.480 53.365 52.037 -0.252 0.000 0.613 870 A CB -0.674 18.367 19.000 0.067 0.000 0.829 870 A HN 0.463 nan 8.150 nan 0.000 0.442 871 L N -0.166 120.999 121.223 -0.096 0.000 2.012 871 L HA -0.213 4.165 4.340 0.064 0.000 0.210 871 L C 1.916 178.723 176.870 -0.104 0.000 1.073 871 L CA 1.418 56.184 54.840 -0.124 0.000 0.748 871 L CB -0.639 41.305 42.059 -0.192 0.000 0.891 871 L HN 0.357 nan 8.230 nan 0.000 0.431 872 N N -0.349 118.291 118.700 -0.101 0.000 2.550 872 N HA -0.014 4.764 4.740 0.064 0.000 0.186 872 N C 0.261 175.737 175.510 -0.056 0.000 1.110 872 N CA 0.450 53.458 53.050 -0.071 0.000 0.912 872 N CB -0.158 38.298 38.487 -0.052 0.000 0.968 872 N HN 0.412 nan 8.380 nan 0.000 0.448 873 N N 0.000 118.659 118.700 -0.068 0.000 1.763 873 N HA 0.000 4.778 4.740 0.064 0.000 0.220 873 N CA 0.000 53.039 53.050 -0.018 0.000 0.885 873 N CB 0.000 38.484 38.487 -0.004 0.000 1.341 873 N HN 0.000 nan 8.380 nan 0.000 0.667