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 2bp7_1_E DATA FIRST_RESID 2 DATA SEQUENCE NEYAPLRLHV PEPTGRPGCQ TDFSYLRLND AGQARKPPVD VDAADTADLS DATA SEQUENCE YSLVRVLDEQ GDAQGPWAED IDPQILRQGM RAMLKTRIFD SRMVVAQRQK DATA SEQUENCE KMSFYMQSLG EEAIGSGQAL ALNRTDMCFP TYRQQSILMA RDVSLVEMIC DATA SEQUENCE QLLSNERDPL KGRQLPIMYS VREAGFFTIS GNLATQFVQA VGWAMASAIK DATA SEQUENCE GDTKIASAWI GDGATAESDF HTALTFAHVY RAPVILNVVN NQWAISTFQA DATA SEQUENCE IAGGESTTFA GRGVGCGIAS LRVDGNDFVA VYAASRWAAE RARRGLGPSL DATA SEQUENCE IEWVTYRAGP HSTSDDPSKY RPADDWSHFP LGDPIARLKQ HLIKIGHWSE DATA SEQUENCE EEHQATTAEF EAAVIAAQKE AEQYGTLANG HIPSAASMFE DVYKEMPDHL DATA SEQUENCE RRQRQEL 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 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.497 175.510 -0.021 0.000 1.280 2 N CA 0.000 53.053 53.050 0.005 0.000 0.885 2 N CB 0.000 38.487 38.487 -0.000 0.000 1.341 3 E N 0.665 120.844 120.200 -0.036 0.000 2.106 3 E HA 0.047 4.397 4.350 -0.000 0.000 0.192 3 E C -0.242 176.156 176.600 -0.337 0.000 0.984 3 E CA 1.060 57.351 56.400 -0.182 0.000 0.806 3 E CB 0.085 29.666 29.700 -0.199 0.000 0.750 3 E HN 0.364 nan 8.360 nan 0.000 0.458 4 Y N -0.264 120.035 120.300 -0.001 0.000 2.335 4 Y HA 0.467 5.017 4.550 -0.000 0.000 0.338 4 Y C 0.278 176.178 175.900 -0.000 0.000 0.977 4 Y CA -0.886 57.213 58.100 -0.001 0.000 1.114 4 Y CB 1.576 40.035 38.460 -0.001 0.000 1.182 4 Y HN -0.140 nan 8.280 nan 0.000 0.463 5 A N 5.016 127.913 122.820 0.128 0.000 2.483 5 A HA 0.347 4.667 4.320 -0.000 0.000 0.238 5 A C -2.268 175.369 177.584 0.088 0.000 1.070 5 A CA -1.149 50.937 52.037 0.080 0.000 0.770 5 A CB -0.490 18.543 19.000 0.054 0.000 1.008 5 A HN 0.555 nan 8.150 nan 0.000 0.497 6 P HA 0.151 nan 4.420 nan 0.000 0.265 6 P C -0.508 176.816 177.300 0.041 0.000 1.193 6 P CA -0.240 62.887 63.100 0.045 0.000 0.765 6 P CB 0.172 31.891 31.700 0.032 0.000 0.823 7 L N 3.513 124.754 121.223 0.030 0.000 2.439 7 L HA 0.228 4.568 4.340 -0.000 0.000 0.269 7 L C 1.047 177.932 176.870 0.025 0.000 1.179 7 L CA 0.194 55.048 54.840 0.024 0.000 0.828 7 L CB -0.124 41.941 42.059 0.009 0.000 1.106 7 L HN 0.551 nan 8.230 nan 0.000 0.467 8 R N 1.797 122.316 120.500 0.031 0.000 2.670 8 R HA 0.653 4.993 4.340 -0.000 0.000 0.289 8 R C -0.876 175.451 176.300 0.046 0.000 0.965 8 R CA -0.862 55.259 56.100 0.035 0.000 0.899 8 R CB 0.891 31.215 30.300 0.040 0.000 1.173 8 R HN 0.320 nan 8.270 nan 0.000 0.456 9 L N 2.361 123.606 121.223 0.038 0.000 2.410 9 L HA 0.262 4.602 4.340 -0.000 0.000 0.273 9 L C -0.582 176.330 176.870 0.070 0.000 1.144 9 L CA 0.126 54.993 54.840 0.045 0.000 0.863 9 L CB 0.134 42.203 42.059 0.018 0.000 1.140 9 L HN 0.814 nan 8.230 nan 0.000 0.463 10 H N 3.978 123.045 119.070 -0.005 0.000 2.527 10 H HA 0.618 5.174 4.556 -0.000 0.000 0.321 10 H C -1.314 174.010 175.328 -0.007 0.000 1.087 10 H CA -0.532 55.513 56.048 -0.005 0.000 1.337 10 H CB 1.132 30.890 29.762 -0.006 0.000 1.440 10 H HN 0.426 nan 8.280 nan 0.000 0.490 11 V N 7.839 127.423 119.914 -0.551 0.000 2.462 11 V HA 0.259 4.379 4.120 -0.000 0.000 0.288 11 V C -2.198 173.619 176.094 -0.461 0.000 1.020 11 V CA -1.593 60.485 62.300 -0.370 0.000 0.857 11 V CB 1.107 32.829 31.823 -0.168 0.000 1.013 11 V HN 0.864 nan 8.190 nan 0.000 0.431 12 P HA 0.239 nan 4.420 nan 0.000 0.265 12 P C -0.373 176.884 177.300 -0.072 0.000 1.193 12 P CA 0.179 63.176 63.100 -0.172 0.000 0.765 12 P CB 0.648 32.340 31.700 -0.013 0.000 0.823 13 E N 3.398 123.571 120.200 -0.045 0.000 2.238 13 E HA 0.329 4.679 4.350 -0.000 0.000 0.267 13 E C -2.275 174.260 176.600 -0.109 0.000 0.887 13 E CA -2.069 54.304 56.400 -0.046 0.000 0.769 13 E CB 1.325 30.988 29.700 -0.061 0.000 1.187 13 E HN 0.388 nan 8.360 nan 0.000 0.416 14 P HA -0.016 nan 4.420 nan 0.000 0.271 14 P C 0.829 177.884 177.300 -0.407 0.000 1.216 14 P CA -0.048 62.625 63.100 -0.711 0.000 0.771 14 P CB 0.773 32.089 31.700 -0.641 0.000 0.864 15 T N 0.004 114.285 114.554 -0.455 0.000 2.759 15 T HA -0.055 4.295 4.350 -0.000 0.000 0.269 15 T C 1.128 175.721 174.700 -0.178 0.000 1.042 15 T CA 1.022 62.978 62.100 -0.240 0.000 1.140 15 T CB -0.841 67.908 68.868 -0.198 0.000 0.864 15 T HN 0.565 nan 8.240 nan 0.000 0.455 16 G N 1.264 109.946 108.800 -0.196 0.000 2.368 16 G HA2 0.618 4.578 3.960 -0.000 0.000 0.320 16 G HA3 0.618 4.578 3.960 -0.000 0.000 0.320 16 G C -0.532 174.353 174.900 -0.024 0.000 1.158 16 G CA -0.844 44.194 45.100 -0.104 0.000 0.912 16 G HN 0.102 nan 8.290 nan 0.000 0.456 17 R N 1.550 122.040 120.500 -0.016 0.000 2.939 17 R HA 0.488 4.828 4.340 -0.000 0.000 0.254 17 R C -2.709 173.585 176.300 -0.009 0.000 1.123 17 R CA -2.349 53.759 56.100 0.014 0.000 1.020 17 R CB 1.167 31.477 30.300 0.017 0.000 1.206 17 R HN 0.257 nan 8.270 nan 0.000 0.491 18 P HA -0.001 nan 4.420 nan 0.000 0.258 18 P C 0.483 177.771 177.300 -0.020 0.000 1.172 18 P CA 1.261 64.343 63.100 -0.030 0.000 0.762 18 P CB 0.137 31.818 31.700 -0.033 0.000 0.764 19 G N 1.234 110.022 108.800 -0.021 0.000 2.157 19 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.248 19 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.248 19 G C 0.186 175.074 174.900 -0.020 0.000 0.979 19 G CA -0.068 45.022 45.100 -0.015 0.000 0.650 19 G HN 0.645 nan 8.290 nan 0.000 0.529 20 C N -0.870 118.412 119.300 -0.030 0.000 3.119 20 C HA 0.858 5.317 4.460 -0.000 0.000 0.359 20 C C 0.227 175.176 174.990 -0.069 0.000 1.486 20 C CA -0.744 58.248 59.018 -0.043 0.000 1.556 20 C CB 1.901 29.614 27.740 -0.044 0.000 2.063 20 C HN 0.547 nan 8.230 nan 0.000 0.454 21 Q N 0.503 120.245 119.800 -0.096 0.000 2.331 21 Q HA 0.390 4.730 4.340 -0.000 0.000 0.267 21 Q C -0.900 174.991 176.000 -0.182 0.000 1.006 21 Q CA 0.031 55.734 55.803 -0.166 0.000 0.818 21 Q CB 1.704 30.331 28.738 -0.184 0.000 1.276 21 Q HN 0.764 nan 8.270 nan 0.000 0.450 22 T N 2.489 116.899 114.554 -0.240 0.000 2.916 22 T HA -0.010 4.340 4.350 -0.000 0.000 0.303 22 T C -0.452 174.035 174.700 -0.355 0.000 1.025 22 T CA 0.200 62.095 62.100 -0.342 0.000 1.142 22 T CB 0.289 68.851 68.868 -0.510 0.000 0.947 22 T HN 0.427 nan 8.240 nan 0.000 0.544 23 D N 2.018 122.278 120.400 -0.233 0.000 2.467 23 D HA 0.214 4.854 4.640 -0.000 0.000 0.220 23 D C 0.065 176.412 176.300 0.079 0.000 1.103 23 D CA -0.680 53.282 54.000 -0.062 0.000 0.886 23 D CB -0.176 40.627 40.800 0.005 0.000 1.025 23 D HN 0.454 nan 8.370 nan 0.000 0.514 24 F N 1.485 121.579 119.950 0.240 0.000 2.772 24 F HA -0.030 4.497 4.527 -0.000 0.000 0.302 24 F C 2.200 177.997 175.800 -0.005 0.000 1.225 24 F CA -0.076 58.024 58.000 0.167 0.000 1.429 24 F CB -0.031 39.018 39.000 0.081 0.000 1.104 24 F HN 0.291 nan 8.300 nan 0.000 0.550 25 S N -0.533 115.303 115.700 0.227 0.000 2.442 25 S HA -0.258 4.212 4.470 -0.000 0.000 0.236 25 S C 1.792 176.474 174.600 0.137 0.000 1.007 25 S CA 1.280 59.566 58.200 0.144 0.000 0.965 25 S CB -0.628 62.653 63.200 0.135 0.000 0.773 25 S HN 0.745 nan 8.310 nan 0.000 0.504 26 Y N 1.637 122.039 120.300 0.170 0.000 2.421 26 Y HA 0.222 4.772 4.550 -0.000 0.000 0.292 26 Y C 0.446 176.446 175.900 0.166 0.000 1.136 26 Y CA -0.187 58.014 58.100 0.168 0.000 1.255 26 Y CB -0.897 37.695 38.460 0.221 0.000 0.991 26 Y HN 0.045 nan 8.280 nan 0.000 0.552 27 L N 2.867 123.810 121.223 -0.466 0.000 2.410 27 L HA 0.189 4.529 4.340 -0.000 0.000 0.273 27 L C 0.441 177.258 176.870 -0.088 0.000 1.152 27 L CA 0.070 54.755 54.840 -0.258 0.000 0.855 27 L CB 0.522 42.418 42.059 -0.271 0.000 1.129 27 L HN 0.147 nan 8.230 nan 0.000 0.463 28 R N 4.419 124.893 120.500 -0.043 0.000 4.138 28 R HA 0.308 4.648 4.340 -0.000 0.000 0.206 28 R C -0.627 175.656 176.300 -0.028 0.000 1.667 28 R CA -0.282 55.810 56.100 -0.013 0.000 1.481 28 R CB -0.344 29.963 30.300 0.011 0.000 1.388 28 R HN 0.512 nan 8.270 nan 0.000 0.776 29 L N 1.029 122.225 121.223 -0.045 0.000 2.452 29 L HA 0.167 4.507 4.340 -0.000 0.000 0.267 29 L C 0.440 177.291 176.870 -0.032 0.000 1.188 29 L CA -0.208 54.599 54.840 -0.054 0.000 0.821 29 L CB 0.368 42.376 42.059 -0.086 0.000 1.102 29 L HN 0.327 nan 8.230 nan 0.000 0.470 30 N N -0.494 118.186 118.700 -0.033 0.000 2.531 30 N HA 0.393 5.133 4.740 -0.000 0.000 0.290 30 N C -1.367 174.130 175.510 -0.021 0.000 1.257 30 N CA -0.733 52.306 53.050 -0.019 0.000 0.863 30 N CB 1.084 39.563 38.487 -0.012 0.000 1.320 30 N HN 0.442 nan 8.380 nan 0.000 0.538 31 D N -0.216 120.179 120.400 -0.008 0.000 2.340 31 D HA 0.495 5.135 4.640 -0.000 0.000 0.251 31 D C -0.285 176.017 176.300 0.002 0.000 1.080 31 D CA -0.467 53.529 54.000 -0.006 0.000 0.971 31 D CB 0.619 41.419 40.800 0.000 0.000 1.137 31 D HN 0.575 nan 8.370 nan 0.000 0.475 32 A N 0.437 123.260 122.820 0.004 0.000 2.567 32 A HA 0.426 4.746 4.320 -0.000 0.000 0.240 32 A C 1.495 179.100 177.584 0.036 0.000 1.053 32 A CA 0.635 52.681 52.037 0.015 0.000 0.755 32 A CB -0.810 18.197 19.000 0.010 0.000 0.978 32 A HN 0.955 nan 8.150 nan 0.000 0.507 33 G N 1.251 110.090 108.800 0.064 0.000 2.184 33 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.264 33 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.264 33 G C 0.987 175.936 174.900 0.082 0.000 0.975 33 G CA 1.052 46.207 45.100 0.092 0.000 0.642 33 G HN 1.034 nan 8.290 nan 0.000 0.536 34 Q N 0.308 120.145 119.800 0.061 0.000 2.049 34 Q HA 0.420 4.760 4.340 -0.000 0.000 0.198 34 Q C 1.839 177.876 176.000 0.061 0.000 0.971 34 Q CA 1.249 57.080 55.803 0.047 0.000 0.833 34 Q CB -0.158 28.597 28.738 0.028 0.000 0.896 34 Q HN 1.143 nan 8.270 nan 0.000 0.434 35 A N 1.602 124.470 122.820 0.080 0.000 2.425 35 A HA 0.229 4.549 4.320 -0.000 0.000 0.249 35 A C -0.146 177.547 177.584 0.180 0.000 1.084 35 A CA -0.376 51.724 52.037 0.105 0.000 0.781 35 A CB 0.138 19.183 19.000 0.075 0.000 1.019 35 A HN 0.554 nan 8.150 nan 0.000 0.490 36 R N 1.498 122.074 120.500 0.126 0.000 2.577 36 R HA 0.475 4.815 4.340 -0.000 0.000 0.269 36 R C -0.323 176.011 176.300 0.057 0.000 1.084 36 R CA -0.580 55.554 56.100 0.058 0.000 1.163 36 R CB 0.663 30.965 30.300 0.004 0.000 1.100 36 R HN 0.576 nan 8.270 nan 0.000 0.547 37 K N 2.374 122.604 120.400 -0.284 0.000 2.316 37 K HA 0.353 4.673 4.320 -0.000 0.000 0.267 37 K C -2.312 174.084 176.600 -0.340 0.000 1.025 37 K CA -2.048 53.831 56.287 -0.680 0.000 0.896 37 K CB 1.290 32.898 32.500 -1.487 0.000 1.124 37 K HN 0.499 nan 8.250 nan 0.000 0.451 38 P HA 0.339 nan 4.420 nan 0.000 0.276 38 P C -2.700 174.700 177.300 0.166 0.000 1.261 38 P CA -1.514 61.592 63.100 0.010 0.000 0.800 38 P CB -0.028 31.722 31.700 0.083 0.000 1.066 39 P HA -0.017 nan 4.420 nan 0.000 0.272 39 P C 0.994 178.488 177.300 0.322 0.000 1.230 39 P CA -0.251 62.965 63.100 0.194 0.000 0.788 39 P CB 0.219 31.974 31.700 0.093 0.000 0.949 40 V N -1.262 118.713 119.914 0.102 0.000 2.759 40 V HA -0.175 3.945 4.120 -0.000 0.000 0.256 40 V C 0.985 176.969 176.094 -0.183 0.000 1.080 40 V CA 2.088 64.225 62.300 -0.272 0.000 1.101 40 V CB -1.669 29.899 31.823 -0.425 0.000 0.698 40 V HN 0.543 nan 8.190 nan 0.000 0.477 41 D N 0.197 120.571 120.400 -0.044 0.000 2.336 41 D HA 0.162 4.802 4.640 -0.000 0.000 0.228 41 D C 0.566 176.886 176.300 0.032 0.000 1.120 41 D CA -0.181 53.802 54.000 -0.028 0.000 0.839 41 D CB -0.030 40.755 40.800 -0.025 0.000 0.932 41 D HN 0.358 nan 8.370 nan 0.000 0.509 42 V N 0.949 120.926 119.914 0.105 0.000 2.788 42 V HA -0.005 4.115 4.120 -0.000 0.000 0.307 42 V C -0.002 176.150 176.094 0.098 0.000 1.069 42 V CA -0.006 62.372 62.300 0.130 0.000 1.173 42 V CB 0.479 32.435 31.823 0.221 0.000 0.925 42 V HN 0.189 nan 8.190 nan 0.000 0.492 43 D N 5.059 125.501 120.400 0.070 0.000 2.382 43 D HA 0.279 4.919 4.640 -0.000 0.000 0.245 43 D C 0.868 177.207 176.300 0.065 0.000 1.120 43 D CA 0.611 54.644 54.000 0.055 0.000 0.890 43 D CB 1.633 42.455 40.800 0.035 0.000 1.201 43 D HN 0.695 nan 8.370 nan 0.000 0.433 44 A N 2.477 125.330 122.820 0.054 0.000 1.883 44 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 44 A C 2.071 179.673 177.584 0.030 0.000 1.186 44 A CA 2.218 54.283 52.037 0.047 0.000 0.624 44 A CB -0.751 18.259 19.000 0.016 0.000 0.822 44 A HN 0.632 nan 8.150 nan 0.000 0.444 45 A N 0.011 122.840 122.820 0.014 0.000 1.948 45 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 45 A C 1.617 179.209 177.584 0.015 0.000 1.177 45 A CA 1.919 53.959 52.037 0.006 0.000 0.636 45 A CB -0.611 18.388 19.000 -0.001 0.000 0.815 45 A HN 0.507 nan 8.150 nan 0.000 0.449 46 D N -1.336 119.081 120.400 0.027 0.000 2.348 46 D HA -0.040 4.600 4.640 -0.000 0.000 0.216 46 D C 1.416 177.737 176.300 0.036 0.000 0.970 46 D CA 1.301 55.319 54.000 0.029 0.000 0.889 46 D CB -0.220 40.602 40.800 0.037 0.000 0.912 46 D HN 0.385 nan 8.370 nan 0.000 0.524 47 T N -0.337 114.244 114.554 0.044 0.000 3.107 47 T HA 0.226 4.576 4.350 -0.000 0.000 0.249 47 T C 1.740 176.463 174.700 0.040 0.000 1.096 47 T CA 0.549 62.675 62.100 0.045 0.000 1.012 47 T CB 0.066 68.974 68.868 0.065 0.000 0.977 47 T HN 0.094 nan 8.240 nan 0.000 0.527 48 A N 1.704 124.544 122.820 0.034 0.000 1.873 48 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 48 A C 2.108 179.727 177.584 0.058 0.000 1.193 48 A CA 2.063 54.122 52.037 0.037 0.000 0.629 48 A CB -0.635 18.363 19.000 -0.004 0.000 0.826 48 A HN 0.494 nan 8.150 nan 0.000 0.447 49 D N -0.070 120.350 120.400 0.033 0.000 2.117 49 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 49 D C 1.936 178.278 176.300 0.070 0.000 0.987 49 D CA 1.192 55.218 54.000 0.044 0.000 0.829 49 D CB -0.399 40.414 40.800 0.022 0.000 0.961 49 D HN 0.454 nan 8.370 nan 0.000 0.460 50 L N 1.271 122.519 121.223 0.042 0.000 2.131 50 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 50 L C 2.512 179.385 176.870 0.005 0.000 1.092 50 L CA 1.184 56.030 54.840 0.010 0.000 0.759 50 L CB -0.425 41.620 42.059 -0.022 0.000 0.903 50 L HN 0.057 nan 8.230 nan 0.000 0.435 51 S N -1.695 114.042 115.700 0.061 0.000 2.474 51 S HA -0.155 4.315 4.470 -0.000 0.000 0.235 51 S C 1.305 175.928 174.600 0.039 0.000 0.997 51 S CA 0.717 58.953 58.200 0.060 0.000 0.949 51 S CB -0.330 62.953 63.200 0.139 0.000 0.766 51 S HN 0.437 nan 8.310 nan 0.000 0.517 52 Y N 2.037 122.315 120.300 -0.036 0.000 2.612 52 Y HA 0.409 4.959 4.550 -0.000 0.000 0.250 52 Y C 1.363 177.245 175.900 -0.029 0.000 1.175 52 Y CA -0.444 57.638 58.100 -0.030 0.000 1.205 52 Y CB 0.443 38.887 38.460 -0.026 0.000 1.201 52 Y HN 0.515 nan 8.280 nan 0.000 0.532 53 S N -0.675 115.056 115.700 0.050 0.000 3.565 53 S HA 0.748 5.218 4.470 -0.000 0.000 0.242 53 S C -1.248 173.326 174.600 -0.043 0.000 1.023 53 S CA -0.621 57.586 58.200 0.011 0.000 1.300 53 S CB 1.564 64.776 63.200 0.020 0.000 1.198 53 S HN -0.021 nan 8.310 nan 0.000 0.697 54 L N 1.094 122.285 121.223 -0.053 0.000 2.580 54 L HA 0.556 4.896 4.340 -0.000 0.000 0.266 54 L C -1.539 175.260 176.870 -0.120 0.000 0.955 54 L CA -0.403 54.383 54.840 -0.091 0.000 0.886 54 L CB 1.851 43.870 42.059 -0.067 0.000 1.263 54 L HN 0.606 nan 8.230 nan 0.000 0.406 55 V N 5.631 125.409 119.914 -0.227 0.000 2.470 55 V HA 0.531 4.651 4.120 -0.000 0.000 0.276 55 V C 0.217 176.153 176.094 -0.263 0.000 1.040 55 V CA -0.106 61.973 62.300 -0.367 0.000 1.008 55 V CB 0.914 32.242 31.823 -0.825 0.000 0.990 55 V HN 0.760 nan 8.190 nan 0.000 0.477 56 R N 3.558 123.965 120.500 -0.155 0.000 2.535 56 R HA 0.516 4.856 4.340 -0.000 0.000 0.274 56 R C -0.831 175.464 176.300 -0.008 0.000 1.090 56 R CA -0.428 55.631 56.100 -0.068 0.000 0.930 56 R CB 2.371 32.647 30.300 -0.040 0.000 1.223 56 R HN 0.423 nan 8.270 nan 0.000 0.441 57 V N 3.894 123.813 119.914 0.008 0.000 2.743 57 V HA 0.200 4.320 4.120 -0.000 0.000 0.237 57 V C 0.715 176.800 176.094 -0.014 0.000 1.113 57 V CA 0.290 62.611 62.300 0.035 0.000 1.141 57 V CB 0.151 32.010 31.823 0.060 0.000 0.873 57 V HN 0.572 nan 8.190 nan 0.000 0.486 58 L N 3.468 124.665 121.223 -0.044 0.000 2.315 58 L HA 0.265 4.605 4.340 -0.000 0.000 0.283 58 L C 0.168 177.023 176.870 -0.024 0.000 1.089 58 L CA -0.512 54.283 54.840 -0.076 0.000 0.833 58 L CB 0.151 42.154 42.059 -0.093 0.000 1.170 58 L HN 0.454 nan 8.230 nan 0.000 0.442 59 D N 2.344 122.736 120.400 -0.013 0.000 2.380 59 D HA -0.036 4.604 4.640 -0.000 0.000 0.254 59 D C 0.895 177.196 176.300 0.002 0.000 1.288 59 D CA -0.407 53.592 54.000 -0.001 0.000 1.008 59 D CB 0.693 41.498 40.800 0.009 0.000 1.099 59 D HN 0.324 nan 8.370 nan 0.000 0.537 60 E N -0.566 119.634 120.200 -0.001 0.000 2.097 60 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 60 E C 1.761 178.366 176.600 0.009 0.000 1.000 60 E CA 1.464 57.862 56.400 -0.003 0.000 0.804 60 E CB -0.265 29.430 29.700 -0.009 0.000 0.740 60 E HN 0.508 nan 8.360 nan 0.000 0.454 61 Q N -0.953 118.857 119.800 0.018 0.000 2.444 61 Q HA 0.183 4.523 4.340 -0.000 0.000 0.206 61 Q C 0.954 176.986 176.000 0.054 0.000 0.948 61 Q CA 0.671 56.492 55.803 0.030 0.000 0.946 61 Q CB 0.482 29.238 28.738 0.030 0.000 1.027 61 Q HN 0.416 nan 8.270 nan 0.000 0.513 62 G N 0.183 109.016 108.800 0.056 0.000 2.143 62 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.248 62 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.248 62 G C -0.584 174.405 174.900 0.149 0.000 0.991 62 G CA 0.086 45.245 45.100 0.099 0.000 0.689 62 G HN 0.287 nan 8.290 nan 0.000 0.522 63 D N 0.832 121.285 120.400 0.089 0.000 2.210 63 D HA 0.571 5.211 4.640 -0.000 0.000 0.249 63 D C 0.807 177.107 176.300 0.000 0.000 1.078 63 D CA 0.620 54.679 54.000 0.098 0.000 0.875 63 D CB 1.498 42.348 40.800 0.082 0.000 1.175 63 D HN 0.572 nan 8.370 nan 0.000 0.440 64 A N 2.963 125.766 122.820 -0.029 0.000 2.440 64 A HA 0.265 4.585 4.320 -0.000 0.000 0.251 64 A C 0.128 177.726 177.584 0.022 0.000 1.089 64 A CA -0.178 51.822 52.037 -0.061 0.000 0.779 64 A CB 0.493 19.469 19.000 -0.040 0.000 1.022 64 A HN 0.370 nan 8.150 nan 0.000 0.492 65 Q N 0.238 120.058 119.800 0.033 0.000 2.451 65 Q HA 0.646 4.986 4.340 -0.000 0.000 0.281 65 Q C 0.331 176.377 176.000 0.077 0.000 1.099 65 Q CA 0.335 56.169 55.803 0.051 0.000 0.806 65 Q CB 1.736 30.499 28.738 0.042 0.000 1.419 65 Q HN 2.012 nan 8.270 nan 0.000 0.427 66 G N 2.009 110.848 108.800 0.066 0.000 2.804 66 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.230 66 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.230 66 G C -1.761 173.170 174.900 0.053 0.000 1.386 66 G CA -0.177 44.964 45.100 0.068 0.000 0.875 66 G HN 0.514 nan 8.290 nan 0.000 0.557 67 P HA -0.018 nan 4.420 nan 0.000 0.230 67 P C 1.158 178.346 177.300 -0.187 0.000 1.158 67 P CA 1.609 64.630 63.100 -0.131 0.000 0.769 67 P CB -0.033 31.519 31.700 -0.247 0.000 0.807 68 W N 0.329 121.633 121.300 0.006 0.000 3.077 68 W HA 0.249 4.909 4.660 -0.000 0.000 0.245 68 W C 2.161 178.712 176.519 0.053 0.000 1.316 68 W CA 0.468 57.823 57.345 0.017 0.000 1.537 68 W CB -0.424 29.032 29.460 -0.006 0.000 1.131 68 W HN -0.013 nan 8.180 nan 0.000 0.695 69 A N -0.446 122.495 122.820 0.201 0.000 2.195 69 A HA 0.073 4.393 4.320 -0.000 0.000 0.210 69 A C 0.746 178.409 177.584 0.132 0.000 1.165 69 A CA -0.029 52.103 52.037 0.159 0.000 0.806 69 A CB -0.251 18.817 19.000 0.112 0.000 0.847 69 A HN 0.147 nan 8.150 nan 0.000 0.482 70 E N 0.989 121.247 120.200 0.097 0.000 2.415 70 E HA 0.070 4.420 4.350 -0.000 0.000 0.262 70 E C -0.487 176.181 176.600 0.114 0.000 1.038 70 E CA -0.004 56.443 56.400 0.079 0.000 0.921 70 E CB 0.236 29.955 29.700 0.033 0.000 0.950 70 E HN 0.315 nan 8.360 nan 0.000 0.438 71 D N 2.166 122.625 120.400 0.099 0.000 2.904 71 D HA -0.186 4.454 4.640 -0.000 0.000 0.231 71 D C -1.176 175.214 176.300 0.151 0.000 1.185 71 D CA 0.488 54.555 54.000 0.112 0.000 0.783 71 D CB -0.478 40.388 40.800 0.110 0.000 0.961 71 D HN 0.233 nan 8.370 nan 0.000 0.409 72 I N 2.397 123.038 120.570 0.118 0.000 2.405 72 I HA 0.145 4.315 4.170 -0.000 0.000 0.280 72 I C 0.458 176.577 176.117 0.004 0.000 1.027 72 I CA -0.818 60.537 61.300 0.092 0.000 1.161 72 I CB 1.109 39.185 38.000 0.127 0.000 1.300 72 I HN 0.090 nan 8.210 nan 0.000 0.463 73 D N 9.134 129.514 120.400 -0.035 0.000 2.382 73 D HA 0.148 4.788 4.640 -0.000 0.000 0.259 73 D C -1.627 174.597 176.300 -0.127 0.000 1.224 73 D CA -1.289 52.672 54.000 -0.065 0.000 0.894 73 D CB 1.443 42.224 40.800 -0.031 0.000 1.127 73 D HN 0.192 nan 8.370 nan 0.000 0.487 74 P HA -0.170 nan 4.420 nan 0.000 0.221 74 P C 1.140 178.348 177.300 -0.153 0.000 1.145 74 P CA 0.825 63.762 63.100 -0.272 0.000 0.795 74 P CB 0.203 31.468 31.700 -0.726 0.000 0.775 75 Q N -0.709 119.034 119.800 -0.095 0.000 2.124 75 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 75 Q C 2.209 178.179 176.000 -0.050 0.000 0.977 75 Q CA 1.263 57.045 55.803 -0.034 0.000 0.850 75 Q CB -0.931 27.805 28.738 -0.003 0.000 0.901 75 Q HN 0.370 nan 8.270 nan 0.000 0.429 76 I N 0.327 120.843 120.570 -0.091 0.000 2.226 76 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 76 I C 2.129 178.179 176.117 -0.110 0.000 1.100 76 I CA 0.885 62.120 61.300 -0.107 0.000 1.374 76 I CB -0.297 37.534 38.000 -0.281 0.000 1.057 76 I HN 0.136 nan 8.210 nan 0.000 0.413 77 L N 0.018 121.150 121.223 -0.152 0.000 2.131 77 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 77 L C 2.714 179.364 176.870 -0.366 0.000 1.092 77 L CA 1.270 55.950 54.840 -0.266 0.000 0.759 77 L CB -0.688 41.279 42.059 -0.153 0.000 0.903 77 L HN 0.190 nan 8.230 nan 0.000 0.435 78 R N -0.078 120.301 120.500 -0.200 0.000 2.066 78 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 78 R C 2.331 178.550 176.300 -0.134 0.000 1.131 78 R CA 1.325 57.341 56.100 -0.140 0.000 0.955 78 R CB -0.329 30.008 30.300 0.062 0.000 0.851 78 R HN 0.465 nan 8.270 nan 0.000 0.432 79 Q N -0.406 119.345 119.800 -0.082 0.000 2.170 79 Q HA -0.098 4.242 4.340 -0.000 0.000 0.203 79 Q C 2.171 178.105 176.000 -0.109 0.000 0.976 79 Q CA 1.341 57.122 55.803 -0.037 0.000 0.858 79 Q CB -0.149 28.596 28.738 0.012 0.000 0.907 79 Q HN 0.489 nan 8.270 nan 0.000 0.433 80 G N 0.540 109.175 108.800 -0.276 0.000 2.421 80 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.216 80 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.216 80 G C 1.544 176.080 174.900 -0.607 0.000 1.171 80 G CA 1.092 45.826 45.100 -0.610 0.000 0.775 80 G HN 0.286 nan 8.290 nan 0.000 0.543 81 M N 0.549 119.777 119.600 -0.621 0.000 2.086 81 M HA 0.051 4.531 4.480 -0.000 0.000 0.261 81 M C 2.751 178.912 176.300 -0.232 0.000 1.067 81 M CA 2.077 57.072 55.300 -0.510 0.000 1.116 81 M CB -1.100 30.981 32.600 -0.865 0.000 1.348 81 M HN 0.474 nan 8.290 nan 0.000 0.407 82 R N -0.224 120.215 120.500 -0.100 0.000 2.096 82 R HA -0.156 4.184 4.340 -0.000 0.000 0.240 82 R C 2.566 178.867 176.300 0.001 0.000 1.139 82 R CA 1.963 58.182 56.100 0.198 0.000 0.952 82 R CB -0.867 29.599 30.300 0.276 0.000 0.854 82 R HN 0.717 nan 8.270 nan 0.000 0.436 83 A N 0.256 123.027 122.820 -0.082 0.000 1.883 83 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 83 A C 2.505 180.003 177.584 -0.144 0.000 1.186 83 A CA 1.863 53.823 52.037 -0.128 0.000 0.624 83 A CB -0.528 18.444 19.000 -0.046 0.000 0.822 83 A HN 0.183 nan 8.150 nan 0.000 0.444 84 M N -0.707 118.831 119.600 -0.103 0.000 2.086 84 M HA -0.048 4.432 4.480 -0.000 0.000 0.261 84 M C 2.437 178.700 176.300 -0.061 0.000 1.067 84 M CA 1.652 56.918 55.300 -0.057 0.000 1.116 84 M CB -1.590 30.992 32.600 -0.031 0.000 1.348 84 M HN 0.594 nan 8.290 nan 0.000 0.407 85 L N -0.552 120.637 121.223 -0.057 0.000 1.989 85 L HA -0.282 4.058 4.340 -0.000 0.000 0.211 85 L C 2.662 179.454 176.870 -0.130 0.000 1.071 85 L CA 1.963 56.797 54.840 -0.011 0.000 0.749 85 L CB -0.812 41.310 42.059 0.106 0.000 0.890 85 L HN 0.398 nan 8.230 nan 0.000 0.431 86 K N -0.589 119.528 120.400 -0.471 0.000 2.044 86 K HA -0.219 4.101 4.320 -0.000 0.000 0.210 86 K C 1.998 178.421 176.600 -0.296 0.000 1.049 86 K CA 2.149 57.964 56.287 -0.787 0.000 0.927 86 K CB -0.116 31.631 32.500 -1.256 0.000 0.713 86 K HN 0.278 nan 8.250 nan 0.000 0.443 87 T N 0.383 114.813 114.554 -0.207 0.000 2.622 87 T HA -0.189 4.161 4.350 -0.000 0.000 0.266 87 T C 1.847 176.566 174.700 0.032 0.000 1.047 87 T CA 1.677 63.731 62.100 -0.078 0.000 1.159 87 T CB -0.276 68.545 68.868 -0.080 0.000 0.863 87 T HN 0.347 nan 8.240 nan 0.000 0.422 88 R N 0.462 120.970 120.500 0.014 0.000 2.083 88 R HA -0.063 4.277 4.340 -0.000 0.000 0.237 88 R C 2.451 178.781 176.300 0.051 0.000 1.137 88 R CA 1.540 57.668 56.100 0.047 0.000 0.951 88 R CB -0.479 29.858 30.300 0.062 0.000 0.851 88 R HN 0.416 nan 8.270 nan 0.000 0.434 89 I N -0.164 120.430 120.570 0.040 0.000 2.226 89 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 89 I C 2.157 178.290 176.117 0.026 0.000 1.100 89 I CA 1.130 62.453 61.300 0.039 0.000 1.374 89 I CB -0.344 37.696 38.000 0.067 0.000 1.057 89 I HN 0.187 nan 8.210 nan 0.000 0.413 90 F N 2.064 121.958 119.950 -0.094 0.000 2.134 90 F HA -0.277 4.250 4.527 -0.000 0.000 0.299 90 F C 2.147 177.881 175.800 -0.111 0.000 1.097 90 F CA 1.814 59.752 58.000 -0.102 0.000 1.264 90 F CB -0.243 38.688 39.000 -0.114 0.000 1.001 90 F HN 0.078 nan 8.300 nan 0.000 0.479 91 D N -0.122 120.346 120.400 0.114 0.000 2.087 91 D HA -0.179 4.461 4.640 -0.000 0.000 0.192 91 D C 2.510 178.712 176.300 -0.162 0.000 0.993 91 D CA 1.851 55.888 54.000 0.062 0.000 0.828 91 D CB -0.676 40.225 40.800 0.168 0.000 0.968 91 D HN 0.243 nan 8.370 nan 0.000 0.448 92 S N 0.500 116.142 115.700 -0.098 0.000 2.359 92 S HA -0.184 4.286 4.470 -0.000 0.000 0.223 92 S C 1.925 176.403 174.600 -0.203 0.000 1.039 92 S CA 1.002 59.136 58.200 -0.110 0.000 1.042 92 S CB -0.085 63.086 63.200 -0.049 0.000 0.915 92 S HN 0.206 nan 8.310 nan 0.000 0.439 93 R N 0.711 121.056 120.500 -0.258 0.000 2.091 93 R HA -0.020 4.320 4.340 -0.000 0.000 0.238 93 R C 2.457 178.505 176.300 -0.421 0.000 1.136 93 R CA 1.308 57.225 56.100 -0.305 0.000 0.959 93 R CB -1.083 29.018 30.300 -0.331 0.000 0.856 93 R HN 0.416 nan 8.270 nan 0.000 0.437 94 M N -0.061 119.137 119.600 -0.670 0.000 2.229 94 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 94 M C 2.593 178.506 176.300 -0.645 0.000 1.063 94 M CA 1.005 55.787 55.300 -0.863 0.000 1.114 94 M CB -0.957 30.679 32.600 -1.606 0.000 1.387 94 M HN 0.012 nan 8.290 nan 0.000 0.420 95 V N -0.551 119.078 119.914 -0.476 0.000 2.261 95 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 95 V C 2.386 178.375 176.094 -0.175 0.000 1.047 95 V CA 2.177 64.336 62.300 -0.234 0.000 1.015 95 V CB -1.079 30.666 31.823 -0.131 0.000 0.642 95 V HN 0.456 nan 8.190 nan 0.000 0.446 96 V N 0.472 120.284 119.914 -0.171 0.000 2.252 96 V HA -0.328 3.792 4.120 -0.000 0.000 0.249 96 V C 2.774 178.795 176.094 -0.121 0.000 1.056 96 V CA 2.318 64.544 62.300 -0.123 0.000 1.022 96 V CB -1.314 30.440 31.823 -0.115 0.000 0.641 96 V HN 0.580 nan 8.190 nan 0.000 0.445 97 A N -1.058 121.663 122.820 -0.165 0.000 1.940 97 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 97 A C 2.249 179.773 177.584 -0.101 0.000 1.176 97 A CA 2.089 54.044 52.037 -0.137 0.000 0.631 97 A CB -0.545 18.349 19.000 -0.178 0.000 0.814 97 A HN 0.544 nan 8.150 nan 0.000 0.446 98 Q N -0.147 119.584 119.800 -0.116 0.000 2.119 98 Q HA -0.124 4.216 4.340 -0.000 0.000 0.201 98 Q C 2.244 178.222 176.000 -0.036 0.000 0.972 98 Q CA 1.367 57.133 55.803 -0.061 0.000 0.847 98 Q CB -0.206 28.497 28.738 -0.059 0.000 0.903 98 Q HN 0.735 nan 8.270 nan 0.000 0.433 99 R N -0.011 120.460 120.500 -0.047 0.000 2.081 99 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 99 R C 1.873 178.159 176.300 -0.024 0.000 1.131 99 R CA 1.345 57.427 56.100 -0.030 0.000 0.960 99 R CB -0.052 30.227 30.300 -0.034 0.000 0.856 99 R HN 0.343 nan 8.270 nan 0.000 0.436 100 Q N 0.697 120.477 119.800 -0.033 0.000 2.344 100 Q HA 0.024 4.364 4.340 -0.000 0.000 0.212 100 Q C -0.325 175.665 176.000 -0.017 0.000 0.943 100 Q CA 0.203 55.990 55.803 -0.026 0.000 0.955 100 Q CB 0.287 29.004 28.738 -0.034 0.000 1.000 100 Q HN 0.144 nan 8.270 nan 0.000 0.488 101 K N -0.777 119.617 120.400 -0.011 0.000 3.130 101 K HA -0.297 4.023 4.320 -0.000 0.000 0.282 101 K C 0.435 177.036 176.600 0.002 0.000 1.145 101 K CA 0.981 57.269 56.287 0.001 0.000 0.831 101 K CB -0.925 31.579 32.500 0.006 0.000 1.226 101 K HN 0.306 nan 8.250 nan 0.000 0.478 102 K N -0.021 120.373 120.400 -0.010 0.000 2.116 102 K HA 0.047 4.367 4.320 -0.000 0.000 0.203 102 K C 1.109 177.712 176.600 0.004 0.000 1.052 102 K CA 1.169 57.451 56.287 -0.008 0.000 0.952 102 K CB 0.190 32.673 32.500 -0.029 0.000 0.729 102 K HN 0.133 nan 8.250 nan 0.000 0.446 103 M N 0.007 119.609 119.600 0.002 0.000 2.535 103 M HA 0.150 4.630 4.480 -0.000 0.000 0.314 103 M C 0.928 177.261 176.300 0.055 0.000 1.153 103 M CA -0.442 54.876 55.300 0.029 0.000 0.924 103 M CB 1.405 34.013 32.600 0.014 0.000 1.710 103 M HN 0.223 nan 8.290 nan 0.000 0.451 104 S N 2.527 118.281 115.700 0.091 0.000 2.436 104 S HA 0.159 4.629 4.470 -0.000 0.000 0.228 104 S C 0.108 174.834 174.600 0.210 0.000 1.014 104 S CA 0.608 58.877 58.200 0.115 0.000 0.950 104 S CB -0.065 63.192 63.200 0.094 0.000 0.784 104 S HN 1.246 nan 8.310 nan 0.000 0.504 105 F N -0.225 119.740 119.950 0.026 0.000 2.672 105 F HA 0.627 5.154 4.527 -0.000 0.000 0.311 105 F C -1.835 174.022 175.800 0.094 0.000 1.113 105 F CA -1.295 56.719 58.000 0.023 0.000 0.996 105 F CB 0.975 39.958 39.000 -0.028 0.000 1.286 105 F HN 0.087 nan 8.300 nan 0.000 0.441 106 Y N 4.698 124.401 120.300 -0.995 0.000 2.571 106 Y HA 0.730 5.280 4.550 -0.000 0.000 0.341 106 Y C -1.713 173.633 175.900 -0.925 0.000 1.076 106 Y CA -0.903 56.714 58.100 -0.805 0.000 1.029 106 Y CB 2.306 40.554 38.460 -0.352 0.000 1.308 106 Y HN 0.603 nan 8.280 nan 0.000 0.461 107 M N 4.377 123.210 119.600 -1.277 0.000 2.134 107 M HA 0.457 4.937 4.480 -0.000 0.000 0.310 107 M C -0.631 175.289 176.300 -0.632 0.000 0.966 107 M CA -0.838 53.981 55.300 -0.802 0.000 0.922 107 M CB 1.170 33.384 32.600 -0.642 0.000 1.537 107 M HN 0.788 nan 8.290 nan 0.000 0.424 108 Q N 0.645 120.316 119.800 -0.215 0.000 2.396 108 Q HA 0.533 4.873 4.340 -0.000 0.000 0.221 108 Q C 0.706 176.671 176.000 -0.058 0.000 1.025 108 Q CA -0.021 55.777 55.803 -0.009 0.000 0.946 108 Q CB 1.003 29.759 28.738 0.030 0.000 1.224 108 Q HN 0.979 nan 8.270 nan 0.000 0.539 109 S N -0.197 115.492 115.700 -0.018 0.000 2.941 109 S HA 0.165 4.635 4.470 -0.000 0.000 0.251 109 S C -0.347 174.207 174.600 -0.076 0.000 1.029 109 S CA -0.531 57.639 58.200 -0.050 0.000 1.062 109 S CB 0.108 63.282 63.200 -0.042 0.000 0.977 109 S HN 0.430 nan 8.310 nan 0.000 0.552 110 L N 2.985 124.149 121.223 -0.098 0.000 2.578 110 L HA 0.445 4.785 4.340 -0.000 0.000 0.279 110 L C 1.365 178.050 176.870 -0.309 0.000 1.227 110 L CA 2.432 57.170 54.840 -0.171 0.000 0.900 110 L CB -0.383 41.555 42.059 -0.201 0.000 1.144 110 L HN 0.743 nan 8.230 nan 0.000 0.496 111 G N 2.845 111.487 108.800 -0.263 0.000 2.253 111 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.251 111 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.251 111 G C 0.851 175.719 174.900 -0.054 0.000 0.998 111 G CA 0.506 45.465 45.100 -0.236 0.000 0.621 111 G HN 0.655 nan 8.290 nan 0.000 0.524 112 E N 0.349 120.507 120.200 -0.070 0.000 2.476 112 E HA 0.249 4.599 4.350 -0.000 0.000 0.199 112 E C 1.767 178.344 176.600 -0.038 0.000 1.021 112 E CA 0.326 56.701 56.400 -0.042 0.000 0.907 112 E CB 0.080 29.739 29.700 -0.068 0.000 0.974 112 E HN 0.547 nan 8.360 nan 0.000 0.489 113 E N 1.306 121.498 120.200 -0.014 0.000 2.253 113 E HA -0.262 4.088 4.350 -0.000 0.000 0.202 113 E C 1.884 178.493 176.600 0.015 0.000 1.014 113 E CA 1.446 57.840 56.400 -0.009 0.000 0.823 113 E CB -0.213 29.497 29.700 0.017 0.000 0.736 113 E HN 0.307 nan 8.360 nan 0.000 0.478 114 A N 0.380 123.235 122.820 0.058 0.000 1.929 114 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 114 A C 2.141 179.661 177.584 -0.106 0.000 1.176 114 A CA 0.983 53.096 52.037 0.127 0.000 0.628 114 A CB -0.468 18.647 19.000 0.191 0.000 0.816 114 A HN 0.179 nan 8.150 nan 0.000 0.444 115 I N -0.126 120.312 120.570 -0.219 0.000 2.058 115 I HA -0.239 3.931 4.170 -0.000 0.000 0.235 115 I C 2.796 178.677 176.117 -0.395 0.000 1.053 115 I CA 1.440 62.458 61.300 -0.470 0.000 1.313 115 I CB -0.976 36.756 38.000 -0.446 0.000 1.039 115 I HN 0.355 nan 8.210 nan 0.000 0.396 116 G N 0.678 109.246 108.800 -0.385 0.000 2.446 116 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.217 116 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.217 116 G C 1.814 176.597 174.900 -0.194 0.000 1.168 116 G CA 1.431 46.259 45.100 -0.453 0.000 0.771 116 G HN 0.525 nan 8.290 nan 0.000 0.551 117 S N 0.909 116.547 115.700 -0.104 0.000 2.356 117 S HA 0.001 4.471 4.470 -0.000 0.000 0.223 117 S C 2.501 177.151 174.600 0.083 0.000 1.032 117 S CA 1.691 59.913 58.200 0.037 0.000 1.005 117 S CB -1.149 62.137 63.200 0.144 0.000 0.867 117 S HN 0.536 nan 8.310 nan 0.000 0.449 118 G N 1.356 110.092 108.800 -0.107 0.000 2.514 118 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.217 118 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.217 118 G C 1.504 176.337 174.900 -0.111 0.000 1.198 118 G CA 1.113 45.939 45.100 -0.456 0.000 0.780 118 G HN 0.634 nan 8.290 nan 0.000 0.565 119 Q N 0.101 119.859 119.800 -0.071 0.000 2.124 119 Q HA 0.052 4.392 4.340 -0.000 0.000 0.202 119 Q C 2.810 178.892 176.000 0.138 0.000 0.977 119 Q CA 1.533 57.392 55.803 0.093 0.000 0.850 119 Q CB -0.349 28.562 28.738 0.288 0.000 0.901 119 Q HN 0.423 nan 8.270 nan 0.000 0.429 120 A N 0.679 123.568 122.820 0.114 0.000 1.908 120 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 120 A C 1.980 179.642 177.584 0.129 0.000 1.181 120 A CA 1.397 53.499 52.037 0.109 0.000 0.627 120 A CB -0.764 18.270 19.000 0.056 0.000 0.818 120 A HN 0.482 nan 8.150 nan 0.000 0.445 121 L N -1.175 120.150 121.223 0.170 0.000 2.291 121 L HA -0.090 4.250 4.340 -0.000 0.000 0.214 121 L C 2.746 179.791 176.870 0.291 0.000 1.120 121 L CA 0.687 55.668 54.840 0.235 0.000 0.799 121 L CB -0.303 41.942 42.059 0.310 0.000 0.925 121 L HN 0.452 nan 8.230 nan 0.000 0.446 122 A N -0.547 122.402 122.820 0.216 0.000 2.178 122 A HA 0.221 4.541 4.320 -0.000 0.000 0.211 122 A C 1.034 178.668 177.584 0.083 0.000 1.157 122 A CA 0.210 52.301 52.037 0.089 0.000 0.780 122 A CB -0.022 18.898 19.000 -0.133 0.000 0.828 122 A HN 0.232 nan 8.150 nan 0.000 0.476 123 L N -0.591 120.696 121.223 0.107 0.000 2.365 123 L HA 0.332 4.672 4.340 -0.000 0.000 0.267 123 L C -0.191 176.737 176.870 0.096 0.000 1.033 123 L CA -0.930 53.967 54.840 0.095 0.000 0.802 123 L CB 1.001 43.120 42.059 0.101 0.000 1.267 123 L HN 0.176 nan 8.230 nan 0.000 0.457 124 N N -0.342 118.410 118.700 0.086 0.000 2.515 124 N HA 0.215 4.955 4.740 -0.000 0.000 0.279 124 N C 0.576 176.132 175.510 0.076 0.000 1.164 124 N CA -0.632 52.467 53.050 0.081 0.000 0.982 124 N CB 1.271 39.806 38.487 0.079 0.000 1.170 124 N HN 0.445 nan 8.380 nan 0.000 0.474 125 R N 0.240 120.781 120.500 0.068 0.000 2.117 125 R HA -0.181 4.159 4.340 -0.000 0.000 0.243 125 R C 1.379 177.716 176.300 0.062 0.000 1.143 125 R CA 2.106 58.241 56.100 0.058 0.000 0.968 125 R CB -0.419 29.910 30.300 0.048 0.000 0.863 125 R HN 0.799 nan 8.270 nan 0.000 0.444 126 T N -1.536 113.068 114.554 0.082 0.000 3.055 126 T HA -0.012 4.338 4.350 -0.000 0.000 0.265 126 T C 0.218 175.004 174.700 0.143 0.000 1.111 126 T CA 0.173 62.343 62.100 0.116 0.000 1.118 126 T CB -0.127 68.820 68.868 0.130 0.000 0.909 126 T HN 0.079 nan 8.240 nan 0.000 0.501 127 D N 2.401 122.863 120.400 0.103 0.000 2.401 127 D HA 0.152 4.792 4.640 -0.000 0.000 0.254 127 D C -0.312 175.925 176.300 -0.105 0.000 1.192 127 D CA 0.110 54.151 54.000 0.068 0.000 0.885 127 D CB 0.869 41.716 40.800 0.078 0.000 1.147 127 D HN 0.153 nan 8.370 nan 0.000 0.478 128 M N 3.381 122.707 119.600 -0.457 0.000 2.200 128 M HA 0.160 4.640 4.480 -0.000 0.000 0.355 128 M C -0.457 175.620 176.300 -0.371 0.000 1.283 128 M CA -0.779 54.124 55.300 -0.662 0.000 1.124 128 M CB 0.026 31.709 32.600 -1.529 0.000 1.625 128 M HN 0.502 nan 8.290 nan 0.000 0.463 129 C N 5.714 124.858 119.300 -0.262 0.000 2.350 129 C HA 0.636 5.096 4.460 -0.000 0.000 0.348 129 C C -0.296 174.534 174.990 -0.266 0.000 1.260 129 C CA -0.615 58.371 59.018 -0.052 0.000 1.966 129 C CB -0.532 27.226 27.740 0.029 0.000 2.380 129 C HN 0.898 nan 8.230 nan 0.000 0.535 130 F N 4.717 124.657 119.950 -0.016 0.000 2.319 130 F HA 0.346 4.873 4.527 -0.000 0.000 0.356 130 F C -1.760 174.128 175.800 0.147 0.000 1.100 130 F CA -2.119 55.867 58.000 -0.022 0.000 1.220 130 F CB 0.523 39.449 39.000 -0.125 0.000 1.506 130 F HN 0.416 nan 8.300 nan 0.000 0.512 131 P HA 0.307 nan 4.420 nan 0.000 0.280 131 P C 0.004 177.268 177.300 -0.058 0.000 1.272 131 P CA -0.296 62.713 63.100 -0.151 0.000 0.819 131 P CB 1.711 33.004 31.700 -0.678 0.000 1.122 132 T N -1.841 112.656 114.554 -0.095 0.000 2.891 132 T HA 0.203 4.553 4.350 -0.000 0.000 0.294 132 T C 1.185 175.758 174.700 -0.210 0.000 1.065 132 T CA -0.125 61.838 62.100 -0.229 0.000 0.936 132 T CB -0.446 68.144 68.868 -0.463 0.000 1.415 132 T HN 0.453 nan 8.240 nan 0.000 0.572 133 Y N -1.262 119.043 120.300 0.008 0.000 2.616 133 Y HA 0.381 4.931 4.550 -0.000 0.000 0.296 133 Y C 2.067 177.939 175.900 -0.047 0.000 1.154 133 Y CA -0.181 57.906 58.100 -0.021 0.000 1.325 133 Y CB -0.571 37.860 38.460 -0.049 0.000 1.007 133 Y HN 0.358 nan 8.280 nan 0.000 0.542 134 R N 0.375 120.825 120.500 -0.084 0.000 2.507 134 R HA 0.173 4.513 4.340 -0.000 0.000 0.298 134 R C -0.105 176.130 176.300 -0.108 0.000 0.999 134 R CA 0.053 56.133 56.100 -0.033 0.000 1.082 134 R CB 0.258 30.522 30.300 -0.061 0.000 1.246 134 R HN 0.316 nan 8.270 nan 0.000 0.553 135 Q N 0.364 120.098 119.800 -0.109 0.000 2.263 135 Q HA 0.023 4.363 4.340 -0.000 0.000 0.337 135 Q C 1.085 177.053 176.000 -0.053 0.000 0.906 135 Q CA -0.213 55.459 55.803 -0.218 0.000 1.124 135 Q CB 1.088 29.490 28.738 -0.560 0.000 1.255 135 Q HN 0.179 nan 8.270 nan 0.000 0.435 136 Q N -0.921 118.867 119.800 -0.020 0.000 2.291 136 Q HA -0.156 4.184 4.340 -0.000 0.000 0.206 136 Q C 1.352 177.226 176.000 -0.211 0.000 0.976 136 Q CA 1.716 57.455 55.803 -0.108 0.000 0.875 136 Q CB -0.324 28.399 28.738 -0.026 0.000 0.927 136 Q HN 0.403 nan 8.270 nan 0.000 0.450 137 S N 1.150 116.752 115.700 -0.162 0.000 2.420 137 S HA -0.174 4.295 4.470 -0.000 0.000 0.237 137 S C 2.016 176.511 174.600 -0.175 0.000 1.023 137 S CA 1.233 59.333 58.200 -0.166 0.000 0.991 137 S CB -0.742 62.375 63.200 -0.138 0.000 0.792 137 S HN 0.412 nan 8.310 nan 0.000 0.488 138 I N 1.403 121.867 120.570 -0.176 0.000 2.179 138 I HA -0.159 4.011 4.170 -0.000 0.000 0.242 138 I C 2.451 178.461 176.117 -0.179 0.000 1.088 138 I CA 1.310 62.538 61.300 -0.120 0.000 1.357 138 I CB -0.470 37.528 38.000 -0.002 0.000 1.051 138 I HN 0.277 nan 8.210 nan 0.000 0.409 139 L N -0.563 120.444 121.223 -0.360 0.000 2.079 139 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 139 L C 2.956 179.606 176.870 -0.367 0.000 1.081 139 L CA 1.061 55.608 54.840 -0.489 0.000 0.752 139 L CB -0.630 40.951 42.059 -0.797 0.000 0.896 139 L HN 0.197 nan 8.230 nan 0.000 0.433 140 M N -0.628 118.764 119.600 -0.347 0.000 2.067 140 M HA -0.086 4.394 4.480 -0.000 0.000 0.260 140 M C 2.692 178.875 176.300 -0.194 0.000 1.069 140 M CA 1.704 56.823 55.300 -0.303 0.000 1.117 140 M CB -1.664 30.752 32.600 -0.307 0.000 1.334 140 M HN 0.527 nan 8.290 nan 0.000 0.407 141 A N -0.645 122.093 122.820 -0.136 0.000 2.070 141 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 141 A C 2.148 179.707 177.584 -0.042 0.000 1.159 141 A CA 1.440 53.444 52.037 -0.055 0.000 0.656 141 A CB -0.563 18.436 19.000 -0.001 0.000 0.800 141 A HN 0.665 nan 8.150 nan 0.000 0.453 142 R N -0.993 119.458 120.500 -0.082 0.000 2.388 142 R HA 0.092 4.432 4.340 -0.000 0.000 0.247 142 R C -0.389 175.861 176.300 -0.085 0.000 0.931 142 R CA 0.372 56.434 56.100 -0.064 0.000 1.082 142 R CB -0.052 30.212 30.300 -0.060 0.000 1.135 142 R HN 0.460 nan 8.270 nan 0.000 0.525 143 D N 0.590 120.927 120.400 -0.105 0.000 2.735 143 D HA -0.146 4.494 4.640 -0.000 0.000 0.235 143 D C -0.907 175.319 176.300 -0.124 0.000 1.175 143 D CA 0.301 54.242 54.000 -0.098 0.000 0.683 143 D CB -0.453 40.324 40.800 -0.038 0.000 1.008 143 D HN -0.105 nan 8.370 nan 0.000 0.416 144 V N 1.088 120.884 119.914 -0.197 0.000 2.732 144 V HA 0.262 4.382 4.120 -0.000 0.000 0.297 144 V C 1.115 177.087 176.094 -0.204 0.000 1.060 144 V CA -0.209 61.960 62.300 -0.218 0.000 1.038 144 V CB 1.688 33.315 31.823 -0.326 0.000 1.003 144 V HN 0.460 nan 8.190 nan 0.000 0.481 145 S N 3.440 119.048 115.700 -0.153 0.000 2.596 145 S HA 0.058 4.528 4.470 -0.000 0.000 0.298 145 S C 1.093 175.603 174.600 -0.150 0.000 1.255 145 S CA -0.271 57.859 58.200 -0.116 0.000 1.083 145 S CB -0.165 62.985 63.200 -0.083 0.000 0.837 145 S HN 0.556 nan 8.310 nan 0.000 0.499 146 L N 5.657 126.815 121.223 -0.108 0.000 2.141 146 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 146 L C 2.414 179.296 176.870 0.021 0.000 1.094 146 L CA 0.678 55.476 54.840 -0.070 0.000 0.763 146 L CB -0.630 41.456 42.059 0.045 0.000 0.908 146 L HN 0.567 nan 8.230 nan 0.000 0.437 147 V N 0.030 119.955 119.914 0.018 0.000 2.287 147 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 147 V C 2.443 178.541 176.094 0.008 0.000 1.053 147 V CA 1.853 64.175 62.300 0.038 0.000 1.027 147 V CB -0.478 31.370 31.823 0.042 0.000 0.646 147 V HN 0.460 nan 8.190 nan 0.000 0.447 148 E N -0.557 119.619 120.200 -0.039 0.000 2.077 148 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 148 E C 2.405 178.986 176.600 -0.032 0.000 0.989 148 E CA 1.941 58.306 56.400 -0.058 0.000 0.800 148 E CB -0.232 29.418 29.700 -0.084 0.000 0.746 148 E HN 0.470 nan 8.360 nan 0.000 0.452 149 M N 0.425 119.980 119.600 -0.076 0.000 2.065 149 M HA -0.138 4.342 4.480 -0.000 0.000 0.259 149 M C 2.488 178.885 176.300 0.161 0.000 1.069 149 M CA 1.339 56.593 55.300 -0.076 0.000 1.110 149 M CB -0.883 31.515 32.600 -0.336 0.000 1.328 149 M HN 0.227 nan 8.290 nan 0.000 0.405 150 I N -0.702 119.980 120.570 0.186 0.000 2.286 150 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 150 I C 2.606 178.804 176.117 0.135 0.000 1.115 150 I CA 1.186 62.607 61.300 0.201 0.000 1.392 150 I CB -0.706 37.388 38.000 0.157 0.000 1.065 150 I HN 0.394 nan 8.210 nan 0.000 0.418 151 C N 0.099 119.454 119.300 0.091 0.000 2.413 151 C HA -0.192 4.268 4.460 -0.000 0.000 0.277 151 C C 2.877 177.913 174.990 0.078 0.000 1.265 151 C CA 0.922 59.976 59.018 0.060 0.000 1.752 151 C CB -0.998 26.733 27.740 -0.015 0.000 1.998 151 C HN 0.546 nan 8.230 nan 0.000 0.489 152 Q N 0.427 120.293 119.800 0.110 0.000 2.123 152 Q HA -0.048 4.292 4.340 -0.000 0.000 0.199 152 Q C 2.149 178.237 176.000 0.146 0.000 0.966 152 Q CA 1.373 57.255 55.803 0.131 0.000 0.845 152 Q CB -0.321 28.534 28.738 0.194 0.000 0.907 152 Q HN 0.684 nan 8.270 nan 0.000 0.439 153 L N 0.299 121.645 121.223 0.205 0.000 2.191 153 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 153 L C 2.228 179.168 176.870 0.118 0.000 1.103 153 L CA 0.734 55.686 54.840 0.186 0.000 0.769 153 L CB -0.276 41.925 42.059 0.236 0.000 0.908 153 L HN 0.190 nan 8.230 nan 0.000 0.438 154 L N -1.914 119.368 121.223 0.099 0.000 2.416 154 L HA 0.093 4.433 4.340 -0.000 0.000 0.216 154 L C 0.948 177.859 176.870 0.069 0.000 1.098 154 L CA -0.081 54.804 54.840 0.076 0.000 0.840 154 L CB 0.026 42.129 42.059 0.073 0.000 0.981 154 L HN 0.099 nan 8.230 nan 0.000 0.462 155 S N 1.304 117.044 115.700 0.065 0.000 3.797 155 S HA -0.126 4.344 4.470 -0.000 0.000 0.374 155 S C 0.272 174.906 174.600 0.056 0.000 0.970 155 S CA 0.003 58.233 58.200 0.050 0.000 1.177 155 S CB -1.408 61.816 63.200 0.040 0.000 0.891 155 S HN 0.448 nan 8.310 nan 0.000 0.491 156 N N 1.560 120.297 118.700 0.062 0.000 2.263 156 N HA 0.125 4.865 4.740 -0.000 0.000 0.239 156 N C 1.455 177.006 175.510 0.068 0.000 1.317 156 N CA -0.139 52.961 53.050 0.082 0.000 0.909 156 N CB 0.237 38.772 38.487 0.079 0.000 1.171 156 N HN 0.523 nan 8.380 nan 0.000 0.492 157 E N 0.023 120.285 120.200 0.103 0.000 2.268 157 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 157 E C 0.969 177.575 176.600 0.010 0.000 0.995 157 E CA 0.780 57.230 56.400 0.083 0.000 0.836 157 E CB 0.140 29.928 29.700 0.146 0.000 0.763 157 E HN 0.218 nan 8.360 nan 0.000 0.491 158 R N 1.315 121.780 120.500 -0.058 0.000 2.317 158 R HA 0.019 4.359 4.340 -0.000 0.000 0.208 158 R C -0.081 176.141 176.300 -0.130 0.000 0.914 158 R CA -0.004 55.961 56.100 -0.226 0.000 1.060 158 R CB 0.018 29.927 30.300 -0.651 0.000 1.015 158 R HN -0.016 nan 8.270 nan 0.000 0.498 159 D N 0.453 120.825 120.400 -0.046 0.000 2.487 159 D HA -0.039 4.601 4.640 -0.000 0.000 0.243 159 D C -1.589 174.698 176.300 -0.022 0.000 1.154 159 D CA -1.385 52.606 54.000 -0.015 0.000 0.876 159 D CB 1.494 42.303 40.800 0.015 0.000 1.161 159 D HN 0.018 nan 8.370 nan 0.000 0.478 160 P HA -0.075 nan 4.420 nan 0.000 0.216 160 P C 1.066 178.361 177.300 -0.008 0.000 1.150 160 P CA 0.990 64.079 63.100 -0.019 0.000 0.837 160 P CB 0.164 31.856 31.700 -0.013 0.000 0.786 161 L N -1.153 120.071 121.223 0.002 0.000 2.629 161 L HA 0.192 4.532 4.340 -0.000 0.000 0.230 161 L C 0.293 177.160 176.870 -0.006 0.000 1.151 161 L CA -0.064 54.774 54.840 -0.004 0.000 0.924 161 L CB -0.816 41.242 42.059 -0.001 0.000 1.137 161 L HN -0.040 nan 8.230 nan 0.000 0.457 162 K N 0.401 120.799 120.400 -0.002 0.000 3.077 162 K HA -0.252 4.068 4.320 -0.000 0.000 0.264 162 K C 1.163 177.761 176.600 -0.002 0.000 1.008 162 K CA 0.306 56.593 56.287 -0.000 0.000 0.740 162 K CB -2.098 30.402 32.500 0.001 0.000 1.273 162 K HN 0.630 nan 8.250 nan 0.000 0.477 163 G N 0.066 108.867 108.800 0.002 0.000 2.189 163 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.267 163 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.267 163 G C 0.847 175.738 174.900 -0.016 0.000 0.975 163 G CA 0.836 45.936 45.100 -0.000 0.000 0.644 163 G HN 0.518 nan 8.290 nan 0.000 0.537 164 R N -0.360 120.126 120.500 -0.024 0.000 2.285 164 R HA 0.100 4.440 4.340 -0.000 0.000 0.213 164 R C 1.207 177.484 176.300 -0.039 0.000 1.068 164 R CA 1.344 57.421 56.100 -0.039 0.000 1.004 164 R CB 0.084 30.359 30.300 -0.042 0.000 0.873 164 R HN 0.505 nan 8.270 nan 0.000 0.467 165 Q N 0.449 120.231 119.800 -0.029 0.000 2.375 165 Q HA 0.278 4.618 4.340 -0.000 0.000 0.271 165 Q C -1.422 174.560 176.000 -0.030 0.000 1.074 165 Q CA -0.783 54.999 55.803 -0.035 0.000 0.808 165 Q CB 1.690 30.407 28.738 -0.035 0.000 1.327 165 Q HN 0.033 nan 8.270 nan 0.000 0.441 166 L N 5.239 126.435 121.223 -0.044 0.000 2.514 166 L HA 0.304 4.644 4.340 -0.000 0.000 0.280 166 L C -2.171 174.692 176.870 -0.012 0.000 1.223 166 L CA -0.747 54.070 54.840 -0.038 0.000 0.864 166 L CB 0.302 42.304 42.059 -0.094 0.000 1.118 166 L HN 0.616 nan 8.230 nan 0.000 0.494 167 P HA -0.028 nan 4.420 nan 0.000 0.263 167 P C 0.701 177.976 177.300 -0.042 0.000 1.168 167 P CA 1.311 64.448 63.100 0.061 0.000 0.759 167 P CB 0.148 31.954 31.700 0.175 0.000 0.782 168 I N -1.922 118.453 120.570 -0.326 0.000 4.610 168 I HA -0.299 3.871 4.170 -0.000 0.000 0.138 168 I C 0.297 175.865 176.117 -0.916 0.000 1.609 168 I CA 0.887 61.659 61.300 -0.879 0.000 1.264 168 I CB -1.788 35.926 38.000 -0.477 0.000 2.286 168 I HN 0.104 nan 8.210 nan 0.000 0.199 169 M N 2.548 121.904 119.600 -0.405 0.000 3.705 169 M HA 0.351 4.831 4.480 -0.000 0.000 0.191 169 M C 0.042 176.266 176.300 -0.127 0.000 1.570 169 M CA 0.085 55.273 55.300 -0.187 0.000 1.714 169 M CB -2.297 30.255 32.600 -0.080 0.000 1.148 169 M HN 0.298 nan 8.290 nan 0.000 0.547 170 Y N -0.623 119.745 120.300 0.113 0.000 2.385 170 Y HA 0.360 4.910 4.550 -0.000 0.000 0.346 170 Y C 1.116 177.082 175.900 0.112 0.000 1.270 170 Y CA -0.063 58.089 58.100 0.086 0.000 1.472 170 Y CB 0.490 38.962 38.460 0.021 0.000 1.354 170 Y HN 0.455 nan 8.280 nan 0.000 0.611 171 S N 0.760 116.597 115.700 0.230 0.000 2.737 171 S HA 0.536 5.006 4.470 -0.000 0.000 0.269 171 S C -1.810 172.835 174.600 0.075 0.000 1.150 171 S CA -0.692 57.571 58.200 0.105 0.000 1.077 171 S CB 0.279 63.458 63.200 -0.035 0.000 1.075 171 S HN 0.428 nan 8.310 nan 0.000 0.476 172 V N 6.948 126.935 119.914 0.122 0.000 2.465 172 V HA 0.422 4.542 4.120 -0.000 0.000 0.263 172 V C 1.346 177.471 176.094 0.053 0.000 0.981 172 V CA -0.656 61.668 62.300 0.040 0.000 0.838 172 V CB 0.695 32.481 31.823 -0.062 0.000 1.068 172 V HN 0.878 nan 8.190 nan 0.000 0.458 173 R N 2.192 122.705 120.500 0.023 0.000 2.091 173 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 173 R C 2.102 178.423 176.300 0.035 0.000 1.136 173 R CA 2.077 58.195 56.100 0.031 0.000 0.959 173 R CB 0.183 30.506 30.300 0.039 0.000 0.856 173 R HN 0.772 nan 8.270 nan 0.000 0.437 174 E N 0.373 120.586 120.200 0.021 0.000 2.265 174 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 174 E C 0.866 177.472 176.600 0.010 0.000 0.996 174 E CA 1.381 57.791 56.400 0.016 0.000 0.832 174 E CB 0.090 29.790 29.700 0.001 0.000 0.756 174 E HN 0.448 nan 8.360 nan 0.000 0.491 175 A N 0.054 122.877 122.820 0.005 0.000 2.308 175 A HA 0.389 4.709 4.320 -0.000 0.000 0.217 175 A C 1.364 178.972 177.584 0.041 0.000 1.216 175 A CA 0.647 52.685 52.037 0.002 0.000 0.864 175 A CB -0.165 18.802 19.000 -0.055 0.000 0.902 175 A HN 0.313 nan 8.150 nan 0.000 0.499 176 G N -0.839 107.983 108.800 0.035 0.000 2.314 176 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.292 176 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.292 176 G C -0.229 174.670 174.900 -0.001 0.000 1.059 176 G CA 0.468 45.560 45.100 -0.014 0.000 0.982 176 G HN 0.885 nan 8.290 nan 0.000 0.505 177 F N 0.689 120.554 119.950 -0.142 0.000 2.610 177 F HA 0.634 5.160 4.527 -0.000 0.000 0.355 177 F C 0.158 175.875 175.800 -0.139 0.000 1.140 177 F CA -1.885 56.031 58.000 -0.139 0.000 1.037 177 F CB 0.555 39.483 39.000 -0.120 0.000 1.287 177 F HN 0.152 nan 8.300 nan 0.000 0.457 178 F N 4.727 124.323 119.950 -0.589 0.000 2.529 178 F HA 0.185 4.712 4.527 -0.000 0.000 0.365 178 F C 1.123 176.745 175.800 -0.296 0.000 1.102 178 F CA 0.279 57.949 58.000 -0.550 0.000 1.271 178 F CB 0.770 39.118 39.000 -1.086 0.000 1.120 178 F HN 0.467 nan 8.300 nan 0.000 0.579 179 T N 7.563 121.583 114.554 -0.889 0.000 2.709 179 T HA 0.039 4.389 4.350 -0.000 0.000 0.269 179 T C 0.378 174.872 174.700 -0.343 0.000 1.008 179 T CA -0.237 61.528 62.100 -0.558 0.000 1.194 179 T CB -0.906 67.589 68.868 -0.621 0.000 0.986 179 T HN 0.444 nan 8.240 nan 0.000 0.508 180 I N 4.766 125.278 120.570 -0.098 0.000 2.634 180 I HA 0.228 4.398 4.170 -0.000 0.000 0.284 180 I C 0.808 176.931 176.117 0.011 0.000 1.124 180 I CA -0.038 61.262 61.300 -0.000 0.000 1.417 180 I CB 1.237 39.274 38.000 0.062 0.000 1.396 180 I HN 0.577 nan 8.210 nan 0.000 0.571 181 S N 3.305 119.046 115.700 0.068 0.000 2.513 181 S HA 0.484 4.954 4.470 -0.000 0.000 0.299 181 S C 0.945 175.599 174.600 0.090 0.000 1.087 181 S CA -0.328 57.911 58.200 0.066 0.000 1.012 181 S CB 1.691 64.947 63.200 0.093 0.000 1.044 181 S HN 0.820 nan 8.310 nan 0.000 0.485 182 G N 3.129 111.963 108.800 0.057 0.000 2.450 182 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.220 182 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.220 182 G C 0.238 175.188 174.900 0.084 0.000 1.130 182 G CA 0.406 45.541 45.100 0.058 0.000 0.760 182 G HN 0.740 nan 8.290 nan 0.000 0.557 183 N N 0.484 119.228 118.700 0.074 0.000 2.475 183 N HA 0.378 5.118 4.740 -0.000 0.000 0.267 183 N C -0.207 175.362 175.510 0.098 0.000 1.169 183 N CA -0.154 52.941 53.050 0.075 0.000 0.947 183 N CB 1.361 39.885 38.487 0.062 0.000 1.061 183 N HN 0.096 nan 8.380 nan 0.000 0.466 184 L N 1.807 123.086 121.223 0.094 0.000 2.426 184 L HA 0.217 4.557 4.340 -0.000 0.000 0.271 184 L C 1.331 178.244 176.870 0.071 0.000 1.169 184 L CA -0.044 54.849 54.840 0.087 0.000 0.836 184 L CB 0.524 42.629 42.059 0.076 0.000 1.112 184 L HN 0.836 nan 8.230 nan 0.000 0.465 185 A N 0.892 123.749 122.820 0.062 0.000 4.219 185 A HA -0.312 4.008 4.320 -0.000 0.000 0.252 185 A C 1.826 179.495 177.584 0.142 0.000 0.737 185 A CA 1.838 53.922 52.037 0.078 0.000 1.245 185 A CB -2.403 16.634 19.000 0.060 0.000 1.105 185 A HN 0.932 nan 8.150 nan 0.000 0.713 186 T N -0.738 113.888 114.554 0.121 0.000 2.778 186 T HA -0.286 4.064 4.350 -0.000 0.000 0.269 186 T C 1.813 176.589 174.700 0.127 0.000 1.050 186 T CA 2.009 64.176 62.100 0.112 0.000 1.137 186 T CB -0.597 68.334 68.868 0.105 0.000 0.860 186 T HN 1.211 nan 8.240 nan 0.000 0.468 187 Q N -0.037 119.875 119.800 0.187 0.000 2.297 187 Q HA -0.027 4.313 4.340 -0.000 0.000 0.204 187 Q C 1.963 178.027 176.000 0.107 0.000 0.962 187 Q CA 0.835 56.769 55.803 0.217 0.000 0.879 187 Q CB -0.984 27.964 28.738 0.350 0.000 0.947 187 Q HN 0.511 nan 8.270 nan 0.000 0.462 188 F N 1.724 121.657 119.950 -0.028 0.000 2.102 188 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 188 F C 2.278 177.963 175.800 -0.191 0.000 1.105 188 F CA 1.047 58.998 58.000 -0.081 0.000 1.239 188 F CB -0.203 38.801 39.000 0.006 0.000 0.991 188 F HN -0.090 nan 8.300 nan 0.000 0.474 189 V N -0.291 119.594 119.914 -0.047 0.000 2.307 189 V HA -0.303 3.817 4.120 -0.000 0.000 0.245 189 V C 2.221 178.114 176.094 -0.335 0.000 1.045 189 V CA 1.981 64.159 62.300 -0.203 0.000 1.024 189 V CB -0.820 30.903 31.823 -0.165 0.000 0.651 189 V HN 0.315 nan 8.190 nan 0.000 0.449 190 Q N 0.055 119.654 119.800 -0.334 0.000 2.152 190 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 190 Q C 2.406 177.850 176.000 -0.927 0.000 0.985 190 Q CA 1.931 57.453 55.803 -0.468 0.000 0.863 190 Q CB -0.497 28.049 28.738 -0.319 0.000 0.904 190 Q HN 0.685 nan 8.270 nan 0.000 0.422 191 A N 0.353 122.386 122.820 -1.313 0.000 1.883 191 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 191 A C 2.359 179.560 177.584 -0.638 0.000 1.186 191 A CA 1.694 52.830 52.037 -1.501 0.000 0.624 191 A CB -0.919 17.492 19.000 -0.981 0.000 0.822 191 A HN 0.231 nan 8.150 nan 0.000 0.444 192 V N 0.062 119.689 119.914 -0.479 0.000 2.287 192 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 192 V C 2.834 178.811 176.094 -0.196 0.000 1.053 192 V CA 2.105 64.239 62.300 -0.276 0.000 1.027 192 V CB -1.660 30.029 31.823 -0.224 0.000 0.646 192 V HN 0.635 nan 8.190 nan 0.000 0.447 193 G N -1.616 107.037 108.800 -0.246 0.000 2.446 193 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.217 193 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.217 193 G C 1.385 176.216 174.900 -0.115 0.000 1.168 193 G CA 0.876 45.865 45.100 -0.186 0.000 0.771 193 G HN 0.630 nan 8.290 nan 0.000 0.551 194 W N 1.642 122.759 121.300 -0.306 0.000 2.358 194 W HA 0.023 4.683 4.660 -0.000 0.000 0.303 194 W C 2.809 179.259 176.519 -0.115 0.000 1.208 194 W CA 2.166 59.413 57.345 -0.163 0.000 1.274 194 W CB -0.008 29.400 29.460 -0.086 0.000 1.138 194 W HN 0.262 nan 8.180 nan 0.000 0.515 195 A N -0.636 122.284 122.820 0.166 0.000 1.898 195 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 195 A C 2.057 179.593 177.584 -0.080 0.000 1.181 195 A CA 2.397 54.480 52.037 0.076 0.000 0.620 195 A CB -1.037 17.994 19.000 0.051 0.000 0.819 195 A HN 0.190 nan 8.150 nan 0.000 0.442 196 M N -0.643 118.892 119.600 -0.108 0.000 2.149 196 M HA -0.086 4.394 4.480 -0.000 0.000 0.261 196 M C 2.742 178.929 176.300 -0.188 0.000 1.064 196 M CA 1.209 56.419 55.300 -0.150 0.000 1.102 196 M CB -1.886 30.599 32.600 -0.192 0.000 1.369 196 M HN 0.747 nan 8.290 nan 0.000 0.408 197 A N -1.222 121.459 122.820 -0.232 0.000 1.877 197 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 197 A C 2.382 179.785 177.584 -0.302 0.000 1.186 197 A CA 2.218 54.089 52.037 -0.276 0.000 0.620 197 A CB -1.188 17.603 19.000 -0.349 0.000 0.822 197 A HN 0.570 nan 8.150 nan 0.000 0.443 198 S N -0.503 114.968 115.700 -0.381 0.000 2.370 198 S HA -0.097 4.373 4.470 -0.000 0.000 0.226 198 S C 2.167 176.661 174.600 -0.177 0.000 1.033 198 S CA 1.697 59.703 58.200 -0.323 0.000 1.011 198 S CB -0.476 62.538 63.200 -0.310 0.000 0.852 198 S HN 0.817 nan 8.310 nan 0.000 0.457 199 A N 1.215 123.951 122.820 -0.140 0.000 1.873 199 A HA 0.019 4.339 4.320 -0.000 0.000 0.215 199 A C 2.093 179.617 177.584 -0.099 0.000 1.186 199 A CA 1.458 53.437 52.037 -0.097 0.000 0.616 199 A CB -0.829 18.125 19.000 -0.077 0.000 0.823 199 A HN 0.598 nan 8.150 nan 0.000 0.442 200 I N -0.640 119.857 120.570 -0.121 0.000 2.315 200 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 200 I C 1.554 177.614 176.117 -0.096 0.000 1.125 200 I CA 1.280 62.515 61.300 -0.109 0.000 1.392 200 I CB 0.003 37.927 38.000 -0.127 0.000 1.065 200 I HN 0.105 nan 8.210 nan 0.000 0.424 201 K N 0.563 120.897 120.400 -0.110 0.000 2.397 201 K HA 0.221 4.541 4.320 -0.000 0.000 0.202 201 K C 1.020 177.575 176.600 -0.074 0.000 1.022 201 K CA 0.567 56.798 56.287 -0.093 0.000 1.141 201 K CB 0.358 32.791 32.500 -0.113 0.000 0.857 201 K HN 0.348 nan 8.250 nan 0.000 0.514 202 G N 2.347 111.106 108.800 -0.068 0.000 2.203 202 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.263 202 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.263 202 G C 0.082 174.953 174.900 -0.048 0.000 1.012 202 G CA 0.661 45.730 45.100 -0.051 0.000 0.749 202 G HN 0.361 nan 8.290 nan 0.000 0.512 203 D N -0.784 119.578 120.400 -0.064 0.000 2.433 203 D HA 0.534 5.174 4.640 -0.000 0.000 0.255 203 D C 1.872 178.153 176.300 -0.032 0.000 1.226 203 D CA 0.665 54.633 54.000 -0.054 0.000 1.015 203 D CB 0.812 41.557 40.800 -0.091 0.000 1.091 203 D HN 0.309 nan 8.370 nan 0.000 0.527 204 T N -2.537 112.013 114.554 -0.007 0.000 3.043 204 T HA 0.257 4.607 4.350 -0.000 0.000 0.272 204 T C 0.565 175.294 174.700 0.048 0.000 0.990 204 T CA -0.380 61.727 62.100 0.013 0.000 0.897 204 T CB 0.229 69.106 68.868 0.015 0.000 1.111 204 T HN 0.140 nan 8.240 nan 0.000 0.529 205 K N 1.911 122.355 120.400 0.072 0.000 2.237 205 K HA 0.609 4.929 4.320 -0.000 0.000 0.270 205 K C 0.067 176.812 176.600 0.242 0.000 1.015 205 K CA -0.556 55.842 56.287 0.185 0.000 0.949 205 K CB 0.941 33.613 32.500 0.287 0.000 0.976 205 K HN 0.514 nan 8.250 nan 0.000 0.472 206 I N -2.175 118.574 120.570 0.299 0.000 3.067 206 I HA 0.732 4.901 4.170 -0.000 0.000 0.312 206 I C -0.949 175.351 176.117 0.304 0.000 1.073 206 I CA -1.207 60.253 61.300 0.267 0.000 1.016 206 I CB 2.230 40.298 38.000 0.113 0.000 1.227 206 I HN 0.509 nan 8.210 nan 0.000 0.456 207 A N 1.783 124.726 122.820 0.206 0.000 2.337 207 A HA 0.712 5.032 4.320 -0.000 0.000 0.329 207 A C -0.470 177.113 177.584 -0.002 0.000 1.146 207 A CA -0.557 51.530 52.037 0.082 0.000 0.800 207 A CB 1.366 20.431 19.000 0.109 0.000 1.220 207 A HN 0.719 nan 8.150 nan 0.000 0.472 208 S N 1.238 116.953 115.700 0.025 0.000 2.667 208 S HA 0.603 5.073 4.470 -0.000 0.000 0.304 208 S C -0.151 174.434 174.600 -0.026 0.000 1.135 208 S CA 0.020 58.220 58.200 -0.000 0.000 1.125 208 S CB 0.034 63.348 63.200 0.189 0.000 0.996 208 S HN 1.510 nan 8.310 nan 0.000 0.474 209 A N 4.245 126.884 122.820 -0.302 0.000 2.304 209 A HA 0.793 5.113 4.320 -0.000 0.000 0.301 209 A C -1.163 176.233 177.584 -0.313 0.000 1.132 209 A CA -0.615 51.286 52.037 -0.227 0.000 0.819 209 A CB 0.440 19.086 19.000 -0.589 0.000 1.094 209 A HN 0.825 nan 8.150 nan 0.000 0.492 210 W N 0.646 122.152 121.300 0.344 0.000 2.915 210 W HA 0.741 5.401 4.660 -0.000 0.000 0.337 210 W C -0.526 176.123 176.519 0.215 0.000 1.102 210 W CA -0.333 57.186 57.345 0.289 0.000 1.224 210 W CB 1.849 31.363 29.460 0.089 0.000 1.416 210 W HN 0.627 nan 8.180 nan 0.000 0.503 211 I N 1.256 121.954 120.570 0.213 0.000 2.842 211 I HA 0.646 4.816 4.170 -0.000 0.000 0.297 211 I C -0.029 176.005 176.117 -0.139 0.000 1.380 211 I CA -0.651 60.564 61.300 -0.141 0.000 1.018 211 I CB 1.766 39.338 38.000 -0.713 0.000 1.311 211 I HN 0.533 nan 8.210 nan 0.000 0.439 212 G N 3.071 111.758 108.800 -0.189 0.000 2.462 212 G HA2 0.233 4.193 3.960 -0.000 0.000 0.319 212 G HA3 0.233 4.193 3.960 -0.000 0.000 0.319 212 G C 0.600 175.292 174.900 -0.348 0.000 1.171 212 G CA 0.088 45.069 45.100 -0.199 0.000 0.920 212 G HN 0.766 nan 8.290 nan 0.000 0.499 213 D N 0.360 120.502 120.400 -0.431 0.000 2.133 213 D HA -0.172 4.468 4.640 -0.000 0.000 0.192 213 D C 2.164 178.211 176.300 -0.421 0.000 1.001 213 D CA 1.710 55.285 54.000 -0.708 0.000 0.844 213 D CB -0.942 39.495 40.800 -0.605 0.000 0.944 213 D HN 0.492 nan 8.370 nan 0.000 0.447 214 G N 0.861 109.521 108.800 -0.233 0.000 2.402 214 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.216 214 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.216 214 G C 1.835 176.647 174.900 -0.147 0.000 1.162 214 G CA 1.490 46.504 45.100 -0.143 0.000 0.777 214 G HN 0.550 nan 8.290 nan 0.000 0.539 215 A N 0.891 123.613 122.820 -0.163 0.000 2.172 215 A HA 0.046 4.366 4.320 -0.000 0.000 0.216 215 A C 2.539 179.991 177.584 -0.221 0.000 1.154 215 A CA 2.259 54.210 52.037 -0.144 0.000 0.701 215 A CB -0.919 18.008 19.000 -0.122 0.000 0.789 215 A HN 0.525 nan 8.150 nan 0.000 0.465 216 T N -2.319 111.995 114.554 -0.400 0.000 2.849 216 T HA -0.022 4.328 4.350 -0.000 0.000 0.270 216 T C 1.764 176.256 174.700 -0.346 0.000 1.066 216 T CA 1.451 63.114 62.100 -0.729 0.000 1.130 216 T CB -0.485 67.800 68.868 -0.972 0.000 0.864 216 T HN 0.565 nan 8.240 nan 0.000 0.481 217 A N 0.780 123.501 122.820 -0.164 0.000 2.119 217 A HA 0.179 4.499 4.320 -0.000 0.000 0.217 217 A C 1.220 178.811 177.584 0.012 0.000 1.153 217 A CA 0.388 52.395 52.037 -0.051 0.000 0.692 217 A CB -0.466 18.506 19.000 -0.047 0.000 0.799 217 A HN 0.544 nan 8.150 nan 0.000 0.458 218 E N 0.259 120.469 120.200 0.016 0.000 2.373 218 E HA 0.235 4.585 4.350 -0.000 0.000 0.267 218 E C 1.412 178.092 176.600 0.134 0.000 1.032 218 E CA 0.595 57.031 56.400 0.060 0.000 0.889 218 E CB 0.842 30.569 29.700 0.044 0.000 0.984 218 E HN 0.365 nan 8.360 nan 0.000 0.425 219 S N 2.992 118.763 115.700 0.118 0.000 2.387 219 S HA -0.227 4.243 4.470 -0.000 0.000 0.230 219 S C 1.212 175.931 174.600 0.198 0.000 1.035 219 S CA 1.442 59.732 58.200 0.150 0.000 1.014 219 S CB -0.181 63.081 63.200 0.104 0.000 0.836 219 S HN 0.590 nan 8.310 nan 0.000 0.466 220 D N 0.643 121.139 120.400 0.161 0.000 2.218 220 D HA -0.024 4.616 4.640 -0.000 0.000 0.204 220 D C 1.380 177.818 176.300 0.230 0.000 0.976 220 D CA 0.706 54.798 54.000 0.154 0.000 0.853 220 D CB -0.429 40.444 40.800 0.122 0.000 0.939 220 D HN 0.512 nan 8.370 nan 0.000 0.481 221 F N 1.295 121.314 119.950 0.115 0.000 2.069 221 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 221 F C 2.372 178.310 175.800 0.229 0.000 1.113 221 F CA 1.726 59.806 58.000 0.133 0.000 1.214 221 F CB -0.411 38.580 39.000 -0.014 0.000 0.978 221 F HN 0.090 nan 8.300 nan 0.000 0.474 222 H N -0.680 118.456 119.070 0.109 0.000 2.357 222 H HA -0.116 4.440 4.556 -0.000 0.000 0.301 222 H C 1.931 177.268 175.328 0.015 0.000 1.082 222 H CA 1.879 57.932 56.048 0.009 0.000 1.342 222 H CB -0.330 29.512 29.762 0.134 0.000 1.389 222 H HN 0.281 nan 8.280 nan 0.000 0.511 223 T N 0.948 115.540 114.554 0.063 0.000 2.699 223 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 223 T C 2.200 176.902 174.700 0.003 0.000 1.036 223 T CA 1.521 63.653 62.100 0.052 0.000 1.147 223 T CB -0.571 68.335 68.868 0.063 0.000 0.862 223 T HN 0.538 nan 8.240 nan 0.000 0.446 224 A N 1.329 124.123 122.820 -0.044 0.000 1.877 224 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 224 A C 2.312 179.814 177.584 -0.136 0.000 1.186 224 A CA 1.308 53.284 52.037 -0.101 0.000 0.620 224 A CB -0.841 18.121 19.000 -0.063 0.000 0.822 224 A HN 0.497 nan 8.150 nan 0.000 0.443 225 L N -0.894 120.189 121.223 -0.234 0.000 1.994 225 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 225 L C 2.789 179.589 176.870 -0.117 0.000 1.071 225 L CA 1.905 56.615 54.840 -0.217 0.000 0.745 225 L CB -1.636 40.242 42.059 -0.302 0.000 0.892 225 L HN 0.331 nan 8.230 nan 0.000 0.431 226 T N 0.294 114.738 114.554 -0.183 0.000 2.597 226 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 226 T C 1.684 176.358 174.700 -0.042 0.000 1.053 226 T CA 1.945 63.967 62.100 -0.130 0.000 1.165 226 T CB -0.445 68.299 68.868 -0.207 0.000 0.863 226 T HN 0.084 nan 8.240 nan 0.000 0.427 227 F N 1.474 121.370 119.950 -0.090 0.000 2.102 227 F HA 0.022 4.549 4.527 -0.000 0.000 0.298 227 F C 2.677 178.497 175.800 0.033 0.000 1.105 227 F CA 0.821 58.833 58.000 0.020 0.000 1.239 227 F CB -0.998 38.032 39.000 0.050 0.000 0.991 227 F HN 0.133 nan 8.300 nan 0.000 0.474 228 A N -0.843 122.059 122.820 0.136 0.000 1.940 228 A HA -0.309 4.011 4.320 -0.000 0.000 0.219 228 A C 1.999 179.607 177.584 0.040 0.000 1.176 228 A CA 2.362 54.423 52.037 0.041 0.000 0.631 228 A CB -1.154 17.809 19.000 -0.061 0.000 0.814 228 A HN 0.555 nan 8.150 nan 0.000 0.446 229 H N -0.692 118.333 119.070 -0.075 0.000 2.317 229 H HA -0.007 4.549 4.556 -0.000 0.000 0.304 229 H C 1.872 177.110 175.328 -0.150 0.000 1.067 229 H CA 1.760 57.747 56.048 -0.101 0.000 1.352 229 H CB -0.518 29.176 29.762 -0.112 0.000 1.398 229 H HN 0.056 nan 8.280 nan 0.000 0.510 230 V N 0.227 119.863 119.914 -0.462 0.000 2.250 230 V HA -0.334 3.786 4.120 -0.000 0.000 0.250 230 V C 1.708 177.401 176.094 -0.668 0.000 1.060 230 V CA 2.396 64.269 62.300 -0.711 0.000 1.030 230 V CB -0.710 30.584 31.823 -0.882 0.000 0.643 230 V HN 0.565 nan 8.190 nan 0.000 0.445 231 Y N -1.343 118.826 120.300 -0.218 0.000 2.457 231 Y HA 0.354 4.904 4.550 -0.000 0.000 0.263 231 Y C 1.368 177.192 175.900 -0.127 0.000 1.164 231 Y CA 0.063 58.072 58.100 -0.151 0.000 1.274 231 Y CB -0.003 38.402 38.460 -0.093 0.000 1.097 231 Y HN 0.171 nan 8.280 nan 0.000 0.523 232 R N 0.983 121.460 120.500 -0.038 0.000 3.205 232 R HA -0.193 4.147 4.340 -0.000 0.000 0.249 232 R C -0.820 175.480 176.300 0.000 0.000 0.937 232 R CA 0.222 56.303 56.100 -0.031 0.000 0.641 232 R CB -1.266 29.002 30.300 -0.053 0.000 1.114 232 R HN 0.326 nan 8.270 nan 0.000 0.451 233 A N 2.379 125.208 122.820 0.015 0.000 2.354 233 A HA 0.493 4.813 4.320 -0.000 0.000 0.269 233 A C -1.979 175.590 177.584 -0.025 0.000 1.109 233 A CA -1.212 50.824 52.037 -0.001 0.000 0.800 233 A CB 0.425 19.426 19.000 0.002 0.000 1.045 233 A HN 0.326 nan 8.150 nan 0.000 0.489 234 P HA 0.246 nan 4.420 nan 0.000 0.237 234 P C -0.907 176.386 177.300 -0.012 0.000 1.788 234 P CA 0.243 63.332 63.100 -0.018 0.000 1.061 234 P CB -0.292 31.408 31.700 -0.000 0.000 1.967 235 V N 3.096 122.977 119.914 -0.055 0.000 2.680 235 V HA 0.433 4.553 4.120 -0.000 0.000 0.309 235 V C 0.496 176.519 176.094 -0.118 0.000 1.052 235 V CA -0.968 61.272 62.300 -0.099 0.000 0.908 235 V CB 2.589 34.299 31.823 -0.187 0.000 1.001 235 V HN 0.140 nan 8.190 nan 0.000 0.431 236 I N 4.536 125.029 120.570 -0.128 0.000 2.297 236 I HA 0.328 4.498 4.170 -0.000 0.000 0.291 236 I C -0.481 175.486 176.117 -0.249 0.000 1.033 236 I CA -0.173 61.046 61.300 -0.135 0.000 1.253 236 I CB 0.965 38.916 38.000 -0.082 0.000 1.396 236 I HN 0.403 nan 8.210 nan 0.000 0.476 237 L N 7.579 128.668 121.223 -0.223 0.000 2.282 237 L HA 0.315 4.655 4.340 -0.000 0.000 0.287 237 L C 0.021 176.878 176.870 -0.022 0.000 1.075 237 L CA -0.200 54.489 54.840 -0.252 0.000 0.839 237 L CB -0.249 41.668 42.059 -0.237 0.000 1.219 237 L HN 0.575 nan 8.230 nan 0.000 0.434 238 N N 3.124 121.781 118.700 -0.071 0.000 2.434 238 N HA 0.300 5.040 4.740 -0.000 0.000 0.272 238 N C -0.800 174.828 175.510 0.197 0.000 1.040 238 N CA -0.361 52.665 53.050 -0.039 0.000 0.956 238 N CB 2.789 40.925 38.487 -0.585 0.000 1.108 238 N HN 0.164 nan 8.380 nan 0.000 0.481 239 V N 2.945 122.945 119.914 0.143 0.000 2.334 239 V HA 0.166 4.286 4.120 -0.000 0.000 0.281 239 V C 0.189 176.356 176.094 0.121 0.000 1.016 239 V CA -0.759 61.566 62.300 0.041 0.000 0.832 239 V CB 1.589 33.375 31.823 -0.062 0.000 0.999 239 V HN 0.339 nan 8.190 nan 0.000 0.439 240 V N 4.833 124.830 119.914 0.139 0.000 2.339 240 V HA 0.235 4.355 4.120 -0.000 0.000 0.261 240 V C 0.457 176.527 176.094 -0.041 0.000 1.058 240 V CA -0.396 62.011 62.300 0.177 0.000 0.897 240 V CB 0.806 32.736 31.823 0.179 0.000 1.052 240 V HN 0.857 nan 8.190 nan 0.000 0.480 241 N N 4.583 123.257 118.700 -0.044 0.000 2.645 241 N HA 0.123 4.863 4.740 -0.000 0.000 0.233 241 N C 0.705 176.224 175.510 0.016 0.000 1.058 241 N CA -0.495 52.475 53.050 -0.133 0.000 0.942 241 N CB 0.470 38.880 38.487 -0.128 0.000 1.210 241 N HN 0.649 nan 8.380 nan 0.000 0.512 242 N N 2.788 121.477 118.700 -0.020 0.000 2.295 242 N HA 0.009 4.749 4.740 -0.000 0.000 0.221 242 N C -0.234 175.274 175.510 -0.003 0.000 1.129 242 N CA -0.074 52.962 53.050 -0.024 0.000 0.836 242 N CB 0.211 38.664 38.487 -0.057 0.000 1.040 242 N HN 0.363 nan 8.380 nan 0.000 0.494 243 Q N -2.745 117.071 119.800 0.027 0.000 2.261 243 Q HA -0.216 4.124 4.340 -0.000 0.000 0.155 243 Q C -1.045 174.714 176.000 -0.402 0.000 0.598 243 Q CA 1.704 57.478 55.803 -0.049 0.000 1.376 243 Q CB -2.093 26.799 28.738 0.257 0.000 1.356 243 Q HN 0.701 nan 8.270 nan 0.000 0.947 244 W N -0.118 121.173 121.300 -0.016 0.000 2.936 244 W HA 0.739 5.399 4.660 -0.000 0.000 0.338 244 W C -0.558 175.941 176.519 -0.033 0.000 1.121 244 W CA -0.319 57.029 57.345 0.006 0.000 1.209 244 W CB 1.694 31.173 29.460 0.031 0.000 1.420 244 W HN 0.125 nan 8.180 nan 0.000 0.516 245 A N 4.295 127.224 122.820 0.181 0.000 2.545 245 A HA 0.710 5.030 4.320 -0.000 0.000 0.300 245 A C 0.364 177.896 177.584 -0.086 0.000 1.252 245 A CA -0.417 51.650 52.037 0.049 0.000 0.753 245 A CB -0.261 18.725 19.000 -0.023 0.000 1.144 245 A HN 0.841 nan 8.150 nan 0.000 0.457 246 I N 0.582 120.984 120.570 -0.281 0.000 4.904 246 I HA -0.475 3.695 4.170 -0.000 0.000 0.038 246 I C 2.192 178.065 176.117 -0.406 0.000 0.635 246 I CA 2.185 63.152 61.300 -0.554 0.000 0.228 246 I CB -1.214 36.387 38.000 -0.665 0.000 0.331 246 I HN 0.815 nan 8.210 nan 0.000 0.150 247 S N -0.290 115.053 115.700 -0.595 0.000 2.535 247 S HA 0.138 4.608 4.470 -0.000 0.000 0.214 247 S C 0.578 175.057 174.600 -0.201 0.000 0.980 247 S CA 0.436 57.980 58.200 -1.093 0.000 0.907 247 S CB -0.061 62.601 63.200 -0.897 0.000 0.790 247 S HN 0.553 nan 8.310 nan 0.000 0.510 248 T N 3.706 118.253 114.554 -0.012 0.000 2.780 248 T HA 0.415 4.765 4.350 -0.000 0.000 0.294 248 T C -0.619 174.120 174.700 0.064 0.000 0.949 248 T CA -0.427 61.705 62.100 0.052 0.000 1.074 248 T CB 0.290 69.133 68.868 -0.041 0.000 0.910 248 T HN 0.331 nan 8.240 nan 0.000 0.501 249 F N 3.582 123.354 119.950 -0.297 0.000 2.459 249 F HA 0.208 4.735 4.527 -0.000 0.000 0.346 249 F C 1.704 177.252 175.800 -0.421 0.000 1.128 249 F CA -1.346 56.191 58.000 -0.771 0.000 1.268 249 F CB 1.008 39.540 39.000 -0.780 0.000 1.161 249 F HN 0.610 nan 8.300 nan 0.000 0.583 250 Q N 4.055 123.116 119.800 -1.231 0.000 2.368 250 Q HA -0.070 4.270 4.340 -0.000 0.000 0.210 250 Q C 1.571 177.171 176.000 -0.666 0.000 0.982 250 Q CA 1.663 57.018 55.803 -0.747 0.000 0.884 250 Q CB -0.877 27.571 28.738 -0.483 0.000 0.933 250 Q HN 0.656 nan 8.270 nan 0.000 0.460 251 A N 1.177 123.393 122.820 -1.006 0.000 1.930 251 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 251 A C 2.094 179.546 177.584 -0.219 0.000 1.175 251 A CA 1.306 53.072 52.037 -0.451 0.000 0.627 251 A CB -0.575 18.306 19.000 -0.198 0.000 0.815 251 A HN 0.464 nan 8.150 nan 0.000 0.443 252 I N -0.231 120.226 120.570 -0.188 0.000 2.830 252 I HA -0.148 4.022 4.170 -0.000 0.000 0.263 252 I C 2.422 178.479 176.117 -0.101 0.000 1.230 252 I CA 0.708 61.945 61.300 -0.104 0.000 1.480 252 I CB -0.128 37.827 38.000 -0.074 0.000 1.095 252 I HN 0.327 nan 8.210 nan 0.000 0.455 253 A N 0.620 123.364 122.820 -0.127 0.000 2.235 253 A HA 0.304 4.624 4.320 -0.000 0.000 0.208 253 A C 1.766 179.310 177.584 -0.067 0.000 1.172 253 A CA 0.809 52.808 52.037 -0.064 0.000 0.786 253 A CB -0.557 18.441 19.000 -0.003 0.000 0.804 253 A HN 0.552 nan 8.150 nan 0.000 0.479 254 G N -2.439 106.287 108.800 -0.124 0.000 2.131 254 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.201 254 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.201 254 G C 1.015 175.746 174.900 -0.282 0.000 1.000 254 G CA 0.360 45.368 45.100 -0.154 0.000 0.680 254 G HN 1.157 nan 8.290 nan 0.000 0.514 255 G N -0.241 108.365 108.800 -0.324 0.000 2.464 255 G HA2 0.213 4.173 3.960 -0.000 0.000 0.217 255 G HA3 0.213 4.173 3.960 -0.000 0.000 0.217 255 G C 0.559 175.301 174.900 -0.264 0.000 1.138 255 G CA 0.766 45.598 45.100 -0.447 0.000 0.793 255 G HN 0.705 nan 8.290 nan 0.000 0.539 256 E N 1.513 121.619 120.200 -0.157 0.000 2.729 256 E HA 0.120 4.470 4.350 -0.000 0.000 0.246 256 E C 1.006 177.586 176.600 -0.033 0.000 0.984 256 E CA 0.574 56.946 56.400 -0.048 0.000 0.951 256 E CB 0.011 29.716 29.700 0.009 0.000 0.914 256 E HN 0.415 nan 8.360 nan 0.000 0.509 257 S N 1.222 116.931 115.700 0.015 0.000 3.477 257 S HA -0.284 4.186 4.470 -0.000 0.000 0.357 257 S C 0.085 174.725 174.600 0.066 0.000 1.083 257 S CA 1.087 59.316 58.200 0.048 0.000 1.042 257 S CB -2.558 60.671 63.200 0.049 0.000 0.911 257 S HN 0.727 nan 8.310 nan 0.000 0.490 258 T N -2.675 111.853 114.554 -0.043 0.000 2.804 258 T HA 0.837 5.187 4.350 -0.000 0.000 0.290 258 T C -0.309 174.149 174.700 -0.404 0.000 1.099 258 T CA -0.235 61.813 62.100 -0.086 0.000 1.011 258 T CB 1.793 70.596 68.868 -0.108 0.000 1.291 258 T HN 1.130 nan 8.240 nan 0.000 0.523 259 T N -1.655 112.507 114.554 -0.653 0.000 2.907 259 T HA 0.627 4.977 4.350 -0.000 0.000 0.290 259 T C 0.065 174.449 174.700 -0.526 0.000 1.066 259 T CA -0.906 60.821 62.100 -0.622 0.000 1.012 259 T CB 1.097 69.554 68.868 -0.686 0.000 1.184 259 T HN 0.412 nan 8.240 nan 0.000 0.522 260 F N 0.465 120.307 119.950 -0.180 0.000 2.270 260 F HA 0.257 4.784 4.527 -0.000 0.000 0.295 260 F C 2.974 178.752 175.800 -0.037 0.000 1.087 260 F CA 0.614 58.551 58.000 -0.105 0.000 1.365 260 F CB -0.900 38.020 39.000 -0.133 0.000 1.056 260 F HN 0.768 nan 8.300 nan 0.000 0.506 261 A N 0.841 123.708 122.820 0.078 0.000 1.903 261 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 261 A C 2.555 180.168 177.584 0.048 0.000 1.191 261 A CA 2.061 54.110 52.037 0.019 0.000 0.638 261 A CB -1.696 17.261 19.000 -0.072 0.000 0.823 261 A HN 0.414 nan 8.150 nan 0.000 0.451 262 G N -1.085 107.722 108.800 0.011 0.000 2.499 262 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.221 262 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.221 262 G C 1.674 176.660 174.900 0.144 0.000 1.109 262 G CA 0.985 46.184 45.100 0.166 0.000 0.749 262 G HN 0.612 nan 8.290 nan 0.000 0.568 263 R N -0.207 120.376 120.500 0.139 0.000 2.148 263 R HA 0.029 4.369 4.340 -0.000 0.000 0.223 263 R C 2.866 179.254 176.300 0.146 0.000 1.088 263 R CA 0.795 57.007 56.100 0.186 0.000 0.985 263 R CB -0.282 30.217 30.300 0.331 0.000 0.880 263 R HN 0.346 nan 8.270 nan 0.000 0.451 264 G N 0.224 109.100 108.800 0.126 0.000 2.402 264 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 264 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 264 G C 1.407 176.312 174.900 0.010 0.000 1.162 264 G CA 0.579 45.711 45.100 0.053 0.000 0.777 264 G HN 0.109 nan 8.290 nan 0.000 0.539 265 V N 1.764 121.699 119.914 0.034 0.000 2.332 265 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 265 V C 3.146 179.228 176.094 -0.021 0.000 1.055 265 V CA 1.965 64.273 62.300 0.013 0.000 1.038 265 V CB -1.160 30.691 31.823 0.047 0.000 0.651 265 V HN 0.430 nan 8.190 nan 0.000 0.450 266 G N -1.334 107.470 108.800 0.008 0.000 2.440 266 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 266 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 266 G C 1.272 176.136 174.900 -0.061 0.000 1.154 266 G CA 1.350 46.447 45.100 -0.005 0.000 0.767 266 G HN 0.583 nan 8.290 nan 0.000 0.552 267 C N 1.053 120.297 119.300 -0.093 0.000 2.435 267 C HA 0.554 5.014 4.460 -0.000 0.000 0.326 267 C C 1.855 176.560 174.990 -0.475 0.000 1.328 267 C CA -0.457 58.439 59.018 -0.202 0.000 1.741 267 C CB -1.141 26.516 27.740 -0.139 0.000 1.998 267 C HN 0.810 nan 8.230 nan 0.000 0.585 268 G N 1.718 110.282 108.800 -0.394 0.000 2.249 268 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.273 268 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.273 268 G C -0.160 174.579 174.900 -0.267 0.000 1.036 268 G CA 0.075 44.899 45.100 -0.461 0.000 0.824 268 G HN 0.633 nan 8.290 nan 0.000 0.504 269 I N 0.768 121.257 120.570 -0.135 0.000 2.378 269 I HA 0.578 4.748 4.170 -0.000 0.000 0.291 269 I C 0.961 177.089 176.117 0.019 0.000 0.992 269 I CA -0.776 60.510 61.300 -0.023 0.000 1.154 269 I CB 1.775 39.762 38.000 -0.022 0.000 1.315 269 I HN 0.279 nan 8.210 nan 0.000 0.448 270 A N 4.935 127.795 122.820 0.065 0.000 2.567 270 A HA 0.397 4.717 4.320 -0.000 0.000 0.240 270 A C 0.027 177.683 177.584 0.120 0.000 1.053 270 A CA 0.420 52.532 52.037 0.124 0.000 0.755 270 A CB -0.036 19.099 19.000 0.224 0.000 0.978 270 A HN 0.689 nan 8.150 nan 0.000 0.507 271 S N 1.258 117.006 115.700 0.079 0.000 2.541 271 S HA 0.670 5.140 4.470 -0.000 0.000 0.280 271 S C -1.170 173.395 174.600 -0.059 0.000 1.112 271 S CA -0.540 57.670 58.200 0.017 0.000 0.925 271 S CB 1.289 64.500 63.200 0.018 0.000 1.067 271 S HN 0.527 nan 8.310 nan 0.000 0.479 272 L N 2.089 123.220 121.223 -0.153 0.000 2.354 272 L HA 0.609 4.949 4.340 -0.000 0.000 0.269 272 L C -0.079 176.608 176.870 -0.304 0.000 1.005 272 L CA -0.501 54.180 54.840 -0.265 0.000 0.819 272 L CB 1.672 43.483 42.059 -0.414 0.000 1.311 272 L HN 0.662 nan 8.230 nan 0.000 0.423 273 R N 1.690 122.026 120.500 -0.273 0.000 2.360 273 R HA 0.798 5.138 4.340 -0.000 0.000 0.318 273 R C -1.675 174.456 176.300 -0.281 0.000 0.950 273 R CA -0.351 55.597 56.100 -0.253 0.000 0.837 273 R CB 1.213 31.416 30.300 -0.161 0.000 1.165 273 R HN 0.464 nan 8.270 nan 0.000 0.458 274 V N 2.919 122.646 119.914 -0.312 0.000 2.823 274 V HA 0.159 4.278 4.120 -0.000 0.000 0.312 274 V C -0.354 175.736 176.094 -0.005 0.000 1.072 274 V CA -1.025 61.125 62.300 -0.249 0.000 0.937 274 V CB 1.941 33.522 31.823 -0.403 0.000 1.013 274 V HN 0.723 nan 8.190 nan 0.000 0.430 275 D N 2.765 123.174 120.400 0.015 0.000 2.426 275 D HA 0.035 4.675 4.640 -0.000 0.000 0.261 275 D C 1.268 177.703 176.300 0.224 0.000 1.245 275 D CA 0.823 54.885 54.000 0.103 0.000 0.917 275 D CB 1.530 42.360 40.800 0.049 0.000 1.123 275 D HN 0.775 nan 8.370 nan 0.000 0.508 276 G N 3.741 112.716 108.800 0.292 0.000 2.679 276 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.212 276 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.212 276 G C 1.026 176.039 174.900 0.188 0.000 1.137 276 G CA -0.092 45.188 45.100 0.300 0.000 0.787 276 G HN 0.444 nan 8.290 nan 0.000 0.534 277 N N 0.404 119.231 118.700 0.210 0.000 2.204 277 N HA 0.088 4.828 4.740 -0.000 0.000 0.219 277 N C -0.747 174.867 175.510 0.174 0.000 1.151 277 N CA -0.143 53.031 53.050 0.206 0.000 0.867 277 N CB 0.917 39.573 38.487 0.281 0.000 1.043 277 N HN 0.153 nan 8.380 nan 0.000 0.516 278 D N 0.138 120.625 120.400 0.146 0.000 2.473 278 D HA 0.079 4.719 4.640 -0.000 0.000 0.226 278 D C 0.639 177.029 176.300 0.150 0.000 1.089 278 D CA -0.669 53.409 54.000 0.130 0.000 0.883 278 D CB 0.181 41.028 40.800 0.079 0.000 1.029 278 D HN -0.056 nan 8.370 nan 0.000 0.517 279 F N 3.384 123.368 119.950 0.057 0.000 2.120 279 F HA -0.262 4.265 4.527 -0.000 0.000 0.300 279 F C 1.823 177.687 175.800 0.107 0.000 1.095 279 F CA 1.423 59.458 58.000 0.059 0.000 1.249 279 F CB 0.197 39.215 39.000 0.029 0.000 0.995 279 F HN 0.259 nan 8.300 nan 0.000 0.480 280 V N 0.376 120.470 119.914 0.299 0.000 2.287 280 V HA -0.357 3.763 4.120 -0.000 0.000 0.248 280 V C 2.710 178.916 176.094 0.186 0.000 1.053 280 V CA 1.906 64.353 62.300 0.246 0.000 1.027 280 V CB -1.657 30.262 31.823 0.161 0.000 0.646 280 V HN 0.480 nan 8.190 nan 0.000 0.447 281 A N -0.203 122.680 122.820 0.105 0.000 1.902 281 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 281 A C 2.400 180.022 177.584 0.063 0.000 1.181 281 A CA 2.118 54.174 52.037 0.031 0.000 0.623 281 A CB -0.729 18.249 19.000 -0.037 0.000 0.818 281 A HN 0.341 nan 8.150 nan 0.000 0.443 282 V N -1.299 118.657 119.914 0.070 0.000 2.255 282 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 282 V C 2.367 178.468 176.094 0.011 0.000 1.051 282 V CA 2.262 64.590 62.300 0.046 0.000 1.018 282 V CB -1.139 30.469 31.823 -0.358 0.000 0.641 282 V HN 0.723 nan 8.190 nan 0.000 0.445 283 Y N 1.417 121.578 120.300 -0.231 0.000 2.097 283 Y HA -0.244 4.306 4.550 -0.000 0.000 0.282 283 Y C 2.412 178.376 175.900 0.107 0.000 1.152 283 Y CA 1.851 59.886 58.100 -0.109 0.000 1.136 283 Y CB -0.654 37.747 38.460 -0.099 0.000 0.975 283 Y HN 0.135 nan 8.280 nan 0.000 0.498 284 A N 0.595 123.548 122.820 0.222 0.000 1.883 284 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 284 A C 2.405 180.181 177.584 0.320 0.000 1.186 284 A CA 2.197 54.420 52.037 0.309 0.000 0.624 284 A CB -1.566 17.744 19.000 0.517 0.000 0.822 284 A HN 0.656 nan 8.150 nan 0.000 0.444 285 A N -0.900 121.991 122.820 0.117 0.000 1.929 285 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 285 A C 2.423 180.153 177.584 0.244 0.000 1.176 285 A CA 1.861 53.911 52.037 0.023 0.000 0.628 285 A CB -0.718 18.091 19.000 -0.318 0.000 0.816 285 A HN 0.444 nan 8.150 nan 0.000 0.444 286 S N -0.704 115.134 115.700 0.229 0.000 2.368 286 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 286 S C 2.073 176.720 174.600 0.079 0.000 1.029 286 S CA 1.301 59.618 58.200 0.195 0.000 0.988 286 S CB -0.333 62.948 63.200 0.136 0.000 0.838 286 S HN 0.670 nan 8.310 nan 0.000 0.462 287 R N -0.206 120.242 120.500 -0.088 0.000 2.080 287 R HA -0.204 4.136 4.340 -0.000 0.000 0.236 287 R C 2.143 178.499 176.300 0.094 0.000 1.137 287 R CA 1.907 57.941 56.100 -0.109 0.000 0.943 287 R CB -0.500 29.618 30.300 -0.303 0.000 0.846 287 R HN 0.532 nan 8.270 nan 0.000 0.431 288 W N 0.860 122.184 121.300 0.040 0.000 2.317 288 W HA -0.276 4.384 4.660 -0.000 0.000 0.318 288 W C 2.172 178.724 176.519 0.055 0.000 1.227 288 W CA 2.708 60.108 57.345 0.091 0.000 1.269 288 W CB -0.570 29.042 29.460 0.253 0.000 1.155 288 W HN 0.284 nan 8.180 nan 0.000 0.484 289 A N 0.449 123.472 122.820 0.338 0.000 1.902 289 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 289 A C 2.067 179.616 177.584 -0.059 0.000 1.181 289 A CA 2.706 54.808 52.037 0.108 0.000 0.623 289 A CB -1.586 17.550 19.000 0.227 0.000 0.818 289 A HN 0.471 nan 8.150 nan 0.000 0.443 290 A N -0.317 122.499 122.820 -0.007 0.000 1.877 290 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 290 A C 1.989 179.528 177.584 -0.075 0.000 1.186 290 A CA 2.170 54.193 52.037 -0.024 0.000 0.620 290 A CB -0.521 18.484 19.000 0.008 0.000 0.822 290 A HN 0.558 nan 8.150 nan 0.000 0.443 291 E N 0.034 120.166 120.200 -0.113 0.000 2.051 291 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 291 E C 2.183 178.651 176.600 -0.219 0.000 0.991 291 E CA 1.671 57.984 56.400 -0.145 0.000 0.799 291 E CB -0.278 29.334 29.700 -0.146 0.000 0.748 291 E HN 0.553 nan 8.360 nan 0.000 0.449 292 R N -0.199 120.073 120.500 -0.381 0.000 2.083 292 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 292 R C 2.183 178.346 176.300 -0.227 0.000 1.137 292 R CA 1.576 57.433 56.100 -0.406 0.000 0.951 292 R CB -0.466 29.419 30.300 -0.691 0.000 0.851 292 R HN 0.254 nan 8.270 nan 0.000 0.434 293 A N 1.007 123.721 122.820 -0.176 0.000 1.851 293 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 293 A C 2.243 179.786 177.584 -0.069 0.000 1.195 293 A CA 1.623 53.602 52.037 -0.097 0.000 0.622 293 A CB -0.659 18.305 19.000 -0.061 0.000 0.831 293 A HN 0.403 nan 8.150 nan 0.000 0.444 294 R N -1.171 119.294 120.500 -0.058 0.000 2.189 294 R HA -0.043 4.297 4.340 -0.000 0.000 0.223 294 R C 1.765 178.039 176.300 -0.043 0.000 1.092 294 R CA 0.653 56.733 56.100 -0.032 0.000 0.989 294 R CB -0.068 30.222 30.300 -0.016 0.000 0.876 294 R HN 0.241 nan 8.270 nan 0.000 0.457 295 R N -0.465 119.993 120.500 -0.069 0.000 2.323 295 R HA 0.034 4.374 4.340 -0.000 0.000 0.198 295 R C 0.846 177.109 176.300 -0.061 0.000 0.988 295 R CA 0.836 56.896 56.100 -0.067 0.000 1.041 295 R CB -0.026 30.220 30.300 -0.090 0.000 0.926 295 R HN 0.486 nan 8.270 nan 0.000 0.476 296 G N 1.014 109.778 108.800 -0.060 0.000 2.160 296 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 296 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 296 G C 0.587 175.452 174.900 -0.058 0.000 1.022 296 G CA 0.246 45.315 45.100 -0.052 0.000 0.741 296 G HN 0.366 nan 8.290 nan 0.000 0.508 297 L N -0.145 121.031 121.223 -0.079 0.000 2.558 297 L HA 0.493 4.833 4.340 -0.000 0.000 0.225 297 L C 1.580 178.409 176.870 -0.068 0.000 1.128 297 L CA 0.772 55.563 54.840 -0.080 0.000 0.868 297 L CB -0.088 41.901 42.059 -0.116 0.000 1.006 297 L HN 1.077 nan 8.230 nan 0.000 0.454 298 G N -0.172 108.589 108.800 -0.065 0.000 2.381 298 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.672 298 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.672 298 G C -3.112 171.756 174.900 -0.052 0.000 1.324 298 G CA -1.022 44.053 45.100 -0.043 0.000 0.975 298 G HN -0.193 nan 8.290 nan 0.000 0.593 299 P HA 0.576 nan 4.420 nan 0.000 0.277 299 P C -0.474 176.813 177.300 -0.022 0.000 1.271 299 P CA -0.213 62.861 63.100 -0.043 0.000 0.795 299 P CB 1.396 33.069 31.700 -0.044 0.000 1.101 300 S N -0.318 115.370 115.700 -0.019 0.000 2.541 300 S HA 0.506 4.976 4.470 -0.000 0.000 0.280 300 S C -0.878 173.725 174.600 0.005 0.000 1.112 300 S CA -0.552 57.676 58.200 0.047 0.000 0.925 300 S CB 1.240 64.522 63.200 0.137 0.000 1.067 300 S HN 0.409 nan 8.310 nan 0.000 0.479 301 L N 3.004 124.238 121.223 0.019 0.000 2.287 301 L HA 0.677 5.017 4.340 -0.000 0.000 0.287 301 L C -1.494 175.327 176.870 -0.082 0.000 1.022 301 L CA -0.348 54.488 54.840 -0.006 0.000 0.814 301 L CB 0.522 42.606 42.059 0.042 0.000 1.217 301 L HN 0.686 nan 8.230 nan 0.000 0.420 302 I N 4.599 125.055 120.570 -0.190 0.000 2.389 302 I HA 0.353 4.523 4.170 -0.000 0.000 0.288 302 I C -0.314 175.480 176.117 -0.539 0.000 0.999 302 I CA -0.513 60.492 61.300 -0.491 0.000 1.129 302 I CB 1.802 39.304 38.000 -0.830 0.000 1.288 302 I HN 0.611 nan 8.210 nan 0.000 0.444 303 E N 6.541 126.478 120.200 -0.439 0.000 2.130 303 E HA 0.205 4.555 4.350 -0.000 0.000 0.284 303 E C -1.597 174.782 176.600 -0.368 0.000 1.018 303 E CA -0.660 55.574 56.400 -0.277 0.000 0.817 303 E CB 0.744 30.404 29.700 -0.066 0.000 1.078 303 E HN 0.422 nan 8.360 nan 0.000 0.396 304 W N 4.429 125.729 121.300 0.001 0.000 2.342 304 W HA 0.289 4.949 4.660 -0.000 0.000 0.310 304 W C -0.502 176.043 176.519 0.044 0.000 1.128 304 W CA -0.894 56.464 57.345 0.021 0.000 1.322 304 W CB 1.031 30.528 29.460 0.061 0.000 1.251 304 W HN 0.211 nan 8.180 nan 0.000 0.439 305 V N 4.530 124.592 119.914 0.247 0.000 2.405 305 V HA 0.309 4.429 4.120 -0.000 0.000 0.264 305 V C 0.429 176.729 176.094 0.342 0.000 1.048 305 V CA 0.210 62.658 62.300 0.246 0.000 0.966 305 V CB 0.244 32.172 31.823 0.176 0.000 1.015 305 V HN 0.661 nan 8.190 nan 0.000 0.477 306 T N 3.863 118.609 114.554 0.321 0.000 2.618 306 T HA 0.617 4.967 4.350 -0.000 0.000 0.286 306 T C -1.964 172.720 174.700 -0.026 0.000 1.027 306 T CA -0.486 61.770 62.100 0.260 0.000 1.063 306 T CB 1.618 70.580 68.868 0.157 0.000 1.440 306 T HN 0.474 nan 8.240 nan 0.000 0.505 307 Y N 1.173 121.198 120.300 -0.458 0.000 2.361 307 Y HA 0.539 5.089 4.550 -0.000 0.000 0.328 307 Y C -0.073 175.607 175.900 -0.367 0.000 1.044 307 Y CA -0.876 56.845 58.100 -0.632 0.000 1.085 307 Y CB 1.278 38.830 38.460 -1.514 0.000 1.194 307 Y HN 0.576 nan 8.280 nan 0.000 0.438 308 R N 4.690 124.871 120.500 -0.531 0.000 2.459 308 R HA 0.248 4.588 4.340 -0.000 0.000 0.301 308 R C 0.581 176.693 176.300 -0.313 0.000 1.286 308 R CA 0.794 56.701 56.100 -0.322 0.000 1.046 308 R CB 0.257 30.459 30.300 -0.164 0.000 1.071 308 R HN 0.983 nan 8.270 nan 0.000 0.512 309 A N 3.956 126.572 122.820 -0.339 0.000 1.898 309 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 309 A C 1.153 178.620 177.584 -0.195 0.000 1.181 309 A CA 1.381 53.145 52.037 -0.455 0.000 0.620 309 A CB -0.230 17.931 19.000 -1.399 0.000 0.819 309 A HN 0.720 nan 8.150 nan 0.000 0.442 310 G N -1.215 107.474 108.800 -0.185 0.000 2.531 310 G HA2 0.493 4.453 3.960 -0.000 0.000 0.281 310 G HA3 0.493 4.453 3.960 -0.000 0.000 0.281 310 G C -2.793 172.068 174.900 -0.064 0.000 1.382 310 G CA -1.312 43.734 45.100 -0.090 0.000 1.045 310 G HN 0.194 nan 8.290 nan 0.000 0.533 311 P HA 0.121 nan 4.420 nan 0.000 0.272 311 P C 0.268 177.584 177.300 0.026 0.000 1.230 311 P CA -0.047 63.051 63.100 -0.003 0.000 0.788 311 P CB 0.656 32.355 31.700 -0.002 0.000 0.949 312 H N 0.635 119.718 119.070 0.021 0.000 2.387 312 H HA -0.084 4.472 4.556 -0.000 0.000 0.299 312 H C 0.459 175.773 175.328 -0.023 0.000 1.099 312 H CA 2.106 58.170 56.048 0.026 0.000 1.315 312 H CB 0.132 29.933 29.762 0.064 0.000 1.380 312 H HN 0.447 nan 8.280 nan 0.000 0.513 313 S N -3.419 112.218 115.700 -0.105 0.000 2.683 313 S HA 0.122 4.592 4.470 -0.000 0.000 0.269 313 S C 0.989 175.540 174.600 -0.081 0.000 1.165 313 S CA -0.245 57.829 58.200 -0.209 0.000 0.840 313 S CB 0.601 63.705 63.200 -0.160 0.000 1.169 313 S HN 0.291 nan 8.310 nan 0.000 0.490 314 T N -0.660 113.807 114.554 -0.146 0.000 3.098 314 T HA 0.077 4.427 4.350 -0.000 0.000 0.266 314 T C 1.189 175.921 174.700 0.055 0.000 1.145 314 T CA 1.255 63.329 62.100 -0.042 0.000 1.092 314 T CB -0.632 68.195 68.868 -0.067 0.000 0.908 314 T HN 0.482 nan 8.240 nan 0.000 0.526 315 S N 0.955 116.731 115.700 0.126 0.000 2.556 315 S HA 0.221 4.691 4.470 -0.000 0.000 0.216 315 S C 0.110 174.782 174.600 0.119 0.000 0.970 315 S CA -0.453 57.829 58.200 0.137 0.000 0.912 315 S CB -0.032 63.276 63.200 0.180 0.000 0.790 315 S HN 0.635 nan 8.310 nan 0.000 0.504 316 D N 1.460 121.931 120.400 0.117 0.000 2.198 316 D HA 0.354 4.994 4.640 -0.000 0.000 0.247 316 D C -1.260 175.089 176.300 0.082 0.000 1.010 316 D CA -0.425 53.660 54.000 0.141 0.000 0.880 316 D CB 1.085 42.015 40.800 0.218 0.000 1.209 316 D HN -0.170 nan 8.370 nan 0.000 0.451 317 D N 2.886 123.334 120.400 0.080 0.000 2.389 317 D HA 0.262 4.902 4.640 -0.000 0.000 0.256 317 D C -2.040 174.162 176.300 -0.163 0.000 1.239 317 D CA -2.013 51.976 54.000 -0.018 0.000 0.925 317 D CB 1.938 42.733 40.800 -0.009 0.000 1.145 317 D HN 0.108 nan 8.370 nan 0.000 0.542 318 P HA -0.102 nan 4.420 nan 0.000 0.220 318 P C 1.372 178.154 177.300 -0.863 0.000 1.148 318 P CA 0.740 63.322 63.100 -0.863 0.000 0.803 318 P CB 0.157 31.564 31.700 -0.488 0.000 0.782 319 S N -0.541 114.913 115.700 -0.410 0.000 2.500 319 S HA -0.086 4.384 4.470 -0.000 0.000 0.239 319 S C 1.625 176.086 174.600 -0.232 0.000 0.989 319 S CA 0.799 58.839 58.200 -0.268 0.000 0.951 319 S CB -0.884 62.233 63.200 -0.138 0.000 0.759 319 S HN 0.161 nan 8.310 nan 0.000 0.523 320 K N -0.062 120.183 120.400 -0.259 0.000 2.426 320 K HA 0.088 4.408 4.320 -0.000 0.000 0.193 320 K C 0.658 177.260 176.600 0.004 0.000 1.028 320 K CA 0.793 57.030 56.287 -0.082 0.000 1.047 320 K CB 0.056 32.573 32.500 0.028 0.000 0.821 320 K HN 0.894 nan 8.250 nan 0.000 0.513 321 Y N -1.016 119.246 120.300 -0.063 0.000 2.648 321 Y HA 0.279 4.829 4.550 -0.000 0.000 0.270 321 Y C -0.077 175.778 175.900 -0.075 0.000 1.043 321 Y CA -1.133 56.941 58.100 -0.044 0.000 1.238 321 Y CB 0.220 38.672 38.460 -0.014 0.000 1.385 321 Y HN -0.198 nan 8.280 nan 0.000 0.569 322 R N -0.245 120.065 120.500 -0.317 0.000 2.799 322 R HA 0.678 5.018 4.340 -0.000 0.000 0.270 322 R C -3.441 172.768 176.300 -0.152 0.000 1.010 322 R CA -2.114 53.864 56.100 -0.203 0.000 0.916 322 R CB 1.414 31.429 30.300 -0.475 0.000 1.228 322 R HN -0.285 nan 8.270 nan 0.000 0.469 323 P HA -0.014 nan 4.420 nan 0.000 0.266 323 P C -0.120 177.175 177.300 -0.008 0.000 1.195 323 P CA 0.406 63.493 63.100 -0.021 0.000 0.768 323 P CB 0.970 32.672 31.700 0.003 0.000 0.838 324 A N 3.690 126.508 122.820 -0.003 0.000 1.872 324 A HA -0.124 4.196 4.320 -0.000 0.000 0.214 324 A C 1.324 178.960 177.584 0.086 0.000 1.187 324 A CA 1.463 53.508 52.037 0.013 0.000 0.614 324 A CB -0.965 18.037 19.000 0.003 0.000 0.826 324 A HN 0.648 nan 8.150 nan 0.000 0.442 325 D N -0.550 119.919 120.400 0.114 0.000 2.400 325 D HA -0.030 4.610 4.640 -0.000 0.000 0.243 325 D C 0.327 176.799 176.300 0.287 0.000 1.184 325 D CA 0.471 54.582 54.000 0.185 0.000 0.853 325 D CB -0.074 40.847 40.800 0.201 0.000 0.944 325 D HN 0.297 nan 8.370 nan 0.000 0.501 326 D N 0.338 120.893 120.400 0.258 0.000 2.097 326 D HA -0.179 4.461 4.640 -0.000 0.000 0.195 326 D C 1.373 177.872 176.300 0.333 0.000 0.989 326 D CA 0.925 55.127 54.000 0.337 0.000 0.827 326 D CB -0.193 40.839 40.800 0.386 0.000 0.966 326 D HN 0.306 nan 8.370 nan 0.000 0.456 327 W N 1.522 122.805 121.300 -0.029 0.000 2.358 327 W HA -0.108 4.552 4.660 -0.000 0.000 0.303 327 W C 2.347 178.841 176.519 -0.041 0.000 1.208 327 W CA 1.684 58.892 57.345 -0.229 0.000 1.274 327 W CB -0.818 28.594 29.460 -0.081 0.000 1.138 327 W HN -0.104 nan 8.180 nan 0.000 0.515 328 S N -0.572 115.119 115.700 -0.014 0.000 2.423 328 S HA -0.283 4.187 4.470 -0.000 0.000 0.238 328 S C 1.187 175.665 174.600 -0.203 0.000 1.028 328 S CA 1.968 60.040 58.200 -0.213 0.000 1.000 328 S CB -0.678 62.437 63.200 -0.142 0.000 0.797 328 S HN 0.463 nan 8.310 nan 0.000 0.487 329 H N -1.079 118.028 119.070 0.063 0.000 2.595 329 H HA 0.355 4.911 4.556 -0.000 0.000 0.265 329 H C 0.183 175.536 175.328 0.043 0.000 0.953 329 H CA -0.494 55.647 56.048 0.155 0.000 1.197 329 H CB 0.031 30.017 29.762 0.373 0.000 1.438 329 H HN 0.332 nan 8.280 nan 0.000 0.531 330 F N 3.229 123.045 119.950 -0.224 0.000 2.590 330 F HA 0.060 4.587 4.527 -0.000 0.000 0.389 330 F C -1.578 174.002 175.800 -0.368 0.000 1.049 330 F CA -2.585 54.986 58.000 -0.715 0.000 1.199 330 F CB 0.954 39.643 39.000 -0.518 0.000 1.058 330 F HN 0.022 nan 8.300 nan 0.000 0.556 331 P HA -0.146 nan 4.420 nan 0.000 0.222 331 P C 1.184 178.211 177.300 -0.454 0.000 1.147 331 P CA 1.388 64.171 63.100 -0.529 0.000 0.790 331 P CB 0.084 31.503 31.700 -0.468 0.000 0.780 332 L N -2.291 118.529 121.223 -0.672 0.000 2.611 332 L HA 0.255 4.595 4.340 -0.000 0.000 0.229 332 L C 1.470 178.405 176.870 0.109 0.000 1.137 332 L CA 0.024 54.751 54.840 -0.188 0.000 0.901 332 L CB -1.185 40.839 42.059 -0.059 0.000 1.098 332 L HN 0.083 nan 8.230 nan 0.000 0.456 333 G N 1.176 110.040 108.800 0.108 0.000 2.574 333 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.282 333 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.282 333 G C -0.400 174.667 174.900 0.279 0.000 1.257 333 G CA 0.150 45.306 45.100 0.093 0.000 0.956 333 G HN 0.359 nan 8.290 nan 0.000 0.560 334 D N 0.932 121.436 120.400 0.173 0.000 2.308 334 D HA 0.476 5.116 4.640 -0.000 0.000 0.242 334 D C -0.680 175.765 176.300 0.241 0.000 1.059 334 D CA -1.640 52.555 54.000 0.324 0.000 0.830 334 D CB 1.972 42.883 40.800 0.184 0.000 1.161 334 D HN 0.069 nan 8.370 nan 0.000 0.494 335 P HA -0.114 nan 4.420 nan 0.000 0.215 335 P C 1.942 179.334 177.300 0.153 0.000 1.157 335 P CA 0.804 64.025 63.100 0.202 0.000 0.868 335 P CB 0.701 32.521 31.700 0.201 0.000 0.788 336 I N 0.136 120.799 120.570 0.156 0.000 2.127 336 I HA -0.265 3.905 4.170 -0.000 0.000 0.241 336 I C 2.664 178.836 176.117 0.091 0.000 1.075 336 I CA 1.682 63.054 61.300 0.120 0.000 1.334 336 I CB -0.973 37.128 38.000 0.168 0.000 1.040 336 I HN -0.078 nan 8.210 nan 0.000 0.405 337 A N 0.802 123.679 122.820 0.094 0.000 1.883 337 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 337 A C 2.396 179.998 177.584 0.029 0.000 1.186 337 A CA 1.808 53.867 52.037 0.035 0.000 0.624 337 A CB -0.651 18.358 19.000 0.016 0.000 0.822 337 A HN 0.334 nan 8.150 nan 0.000 0.444 338 R N -1.391 119.145 120.500 0.061 0.000 2.075 338 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 338 R C 2.152 178.500 176.300 0.080 0.000 1.126 338 R CA 1.369 57.509 56.100 0.067 0.000 0.963 338 R CB -0.476 29.874 30.300 0.083 0.000 0.858 338 R HN 0.501 nan 8.270 nan 0.000 0.435 339 L N 1.638 122.900 121.223 0.065 0.000 2.056 339 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 339 L C 2.182 179.038 176.870 -0.024 0.000 1.078 339 L CA 1.812 56.675 54.840 0.039 0.000 0.749 339 L CB -0.419 41.605 42.059 -0.059 0.000 0.901 339 L HN -0.004 nan 8.230 nan 0.000 0.433 340 K N -0.675 119.687 120.400 -0.064 0.000 2.001 340 K HA -0.315 4.005 4.320 -0.000 0.000 0.214 340 K C 2.242 178.855 176.600 0.022 0.000 1.050 340 K CA 2.259 58.502 56.287 -0.073 0.000 0.934 340 K CB -0.401 32.022 32.500 -0.129 0.000 0.718 340 K HN 0.550 nan 8.250 nan 0.000 0.443 341 Q N -0.461 119.358 119.800 0.032 0.000 2.096 341 Q HA -0.301 4.039 4.340 -0.000 0.000 0.208 341 Q C 2.138 178.197 176.000 0.099 0.000 0.993 341 Q CA 2.322 58.160 55.803 0.058 0.000 0.862 341 Q CB -0.235 28.535 28.738 0.054 0.000 0.915 341 Q HN 0.558 nan 8.270 nan 0.000 0.416 342 H N -0.500 118.588 119.070 0.029 0.000 2.363 342 H HA -0.081 4.475 4.556 -0.000 0.000 0.301 342 H C 1.744 177.113 175.328 0.068 0.000 1.074 342 H CA 1.477 57.552 56.048 0.046 0.000 1.354 342 H CB -0.201 29.588 29.762 0.044 0.000 1.397 342 H HN 0.292 nan 8.280 nan 0.000 0.516 343 L N 0.182 121.312 121.223 -0.154 0.000 2.093 343 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 343 L C 2.183 179.079 176.870 0.044 0.000 1.085 343 L CA 1.276 56.035 54.840 -0.135 0.000 0.755 343 L CB -0.527 41.488 42.059 -0.072 0.000 0.904 343 L HN 0.425 nan 8.230 nan 0.000 0.435 344 I N -0.806 119.832 120.570 0.114 0.000 2.226 344 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 344 I C 2.476 178.613 176.117 0.034 0.000 1.100 344 I CA 1.319 62.690 61.300 0.118 0.000 1.374 344 I CB -0.358 37.716 38.000 0.125 0.000 1.057 344 I HN 0.238 nan 8.210 nan 0.000 0.413 345 K N 1.465 121.870 120.400 0.007 0.000 2.147 345 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 345 K C 1.881 178.476 176.600 -0.009 0.000 1.049 345 K CA 1.367 57.659 56.287 0.008 0.000 0.936 345 K CB -0.108 32.419 32.500 0.044 0.000 0.722 345 K HN 0.505 nan 8.250 nan 0.000 0.446 346 I N -3.399 117.135 120.570 -0.061 0.000 3.793 346 I HA 0.296 4.466 4.170 -0.000 0.000 0.315 346 I C 0.554 176.693 176.117 0.038 0.000 1.275 346 I CA 0.264 61.566 61.300 0.004 0.000 1.214 346 I CB 0.266 38.248 38.000 -0.029 0.000 1.018 346 I HN 0.143 nan 8.210 nan 0.000 0.439 347 G N 2.280 111.068 108.800 -0.020 0.000 2.289 347 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.280 347 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.280 347 G C 0.070 174.786 174.900 -0.307 0.000 1.089 347 G CA 0.269 45.293 45.100 -0.126 0.000 0.939 347 G HN 0.733 nan 8.290 nan 0.000 0.499 348 H N -1.980 117.123 119.070 0.056 0.000 2.865 348 H HA 0.276 4.832 4.556 -0.000 0.000 0.247 348 H C 0.191 175.684 175.328 0.275 0.000 1.181 348 H CA 0.049 56.160 56.048 0.106 0.000 0.975 348 H CB 0.609 30.409 29.762 0.063 0.000 1.899 348 H HN 0.593 nan 8.280 nan 0.000 0.651 349 W N 1.268 122.581 121.300 0.022 0.000 3.057 349 W HA 0.332 4.992 4.660 -0.000 0.000 0.328 349 W C -1.416 175.103 176.519 -0.001 0.000 1.232 349 W CA -0.443 56.914 57.345 0.020 0.000 1.187 349 W CB 2.012 31.491 29.460 0.032 0.000 1.417 349 W HN 0.008 nan 8.180 nan 0.000 0.569 350 S N 0.702 116.172 115.700 -0.383 0.000 2.570 350 S HA 0.251 4.720 4.470 -0.000 0.000 0.270 350 S C 0.118 174.571 174.600 -0.244 0.000 1.149 350 S CA -0.663 57.400 58.200 -0.228 0.000 0.837 350 S CB 2.315 65.378 63.200 -0.228 0.000 1.124 350 S HN 0.497 nan 8.310 nan 0.000 0.465 351 E N 1.084 121.231 120.200 -0.087 0.000 2.171 351 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 351 E C 1.283 177.843 176.600 -0.068 0.000 0.997 351 E CA 1.719 58.099 56.400 -0.032 0.000 0.810 351 E CB -0.160 29.529 29.700 -0.019 0.000 0.738 351 E HN 0.741 nan 8.360 nan 0.000 0.467 352 E N 0.728 120.844 120.200 -0.141 0.000 2.047 352 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 352 E C 2.030 178.493 176.600 -0.228 0.000 0.987 352 E CA 1.036 57.346 56.400 -0.151 0.000 0.799 352 E CB -0.131 29.482 29.700 -0.146 0.000 0.752 352 E HN 0.303 nan 8.360 nan 0.000 0.449 353 E N -0.618 119.329 120.200 -0.421 0.000 2.072 353 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 353 E C 1.975 178.275 176.600 -0.500 0.000 0.985 353 E CA 1.076 57.096 56.400 -0.634 0.000 0.801 353 E CB -0.129 28.851 29.700 -1.199 0.000 0.750 353 E HN 0.311 nan 8.360 nan 0.000 0.452 354 H N 0.495 119.288 119.070 -0.461 0.000 2.289 354 H HA -0.157 4.399 4.556 -0.000 0.000 0.296 354 H C 2.043 177.423 175.328 0.086 0.000 1.091 354 H CA 2.008 58.130 56.048 0.124 0.000 1.274 354 H CB 0.188 30.152 29.762 0.337 0.000 1.364 354 H HN -0.024 nan 8.280 nan 0.000 0.490 355 Q N -0.442 119.406 119.800 0.081 0.000 2.172 355 Q HA 0.075 4.415 4.340 -0.000 0.000 0.200 355 Q C 2.311 178.285 176.000 -0.042 0.000 0.964 355 Q CA 1.100 56.921 55.803 0.031 0.000 0.855 355 Q CB -0.141 28.623 28.738 0.044 0.000 0.918 355 Q HN 0.588 nan 8.270 nan 0.000 0.444 356 A N -0.438 122.326 122.820 -0.093 0.000 1.858 356 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 356 A C 2.216 179.713 177.584 -0.146 0.000 1.190 356 A CA 2.025 53.989 52.037 -0.122 0.000 0.617 356 A CB -1.074 17.832 19.000 -0.158 0.000 0.827 356 A HN 0.399 nan 8.150 nan 0.000 0.443 357 T N -0.051 114.407 114.554 -0.160 0.000 2.720 357 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 357 T C 1.998 176.595 174.700 -0.171 0.000 1.037 357 T CA 1.953 63.929 62.100 -0.208 0.000 1.144 357 T CB -0.747 68.122 68.868 0.000 0.000 0.864 357 T HN 0.553 nan 8.240 nan 0.000 0.444 358 T N 2.199 116.722 114.554 -0.051 0.000 2.607 358 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 358 T C 2.410 177.123 174.700 0.023 0.000 1.049 358 T CA 1.504 63.623 62.100 0.031 0.000 1.162 358 T CB -0.748 68.123 68.868 0.005 0.000 0.863 358 T HN 0.475 nan 8.240 nan 0.000 0.424 359 A N 1.712 124.515 122.820 -0.028 0.000 1.940 359 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 359 A C 2.168 179.727 177.584 -0.042 0.000 1.176 359 A CA 2.177 54.198 52.037 -0.026 0.000 0.631 359 A CB -0.607 18.370 19.000 -0.039 0.000 0.814 359 A HN 0.818 nan 8.150 nan 0.000 0.446 360 E N -1.334 118.796 120.200 -0.117 0.000 2.112 360 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 360 E C 1.704 178.261 176.600 -0.073 0.000 0.979 360 E CA 0.926 57.237 56.400 -0.148 0.000 0.814 360 E CB -0.627 28.916 29.700 -0.261 0.000 0.762 360 E HN 0.608 nan 8.360 nan 0.000 0.460 361 F N 1.691 121.642 119.950 0.001 0.000 2.186 361 F HA -0.094 4.433 4.527 -0.000 0.000 0.299 361 F C 2.485 178.294 175.800 0.014 0.000 1.090 361 F CA 0.652 58.660 58.000 0.012 0.000 1.307 361 F CB 0.055 39.064 39.000 0.014 0.000 1.019 361 F HN -0.006 nan 8.300 nan 0.000 0.489 362 E N 0.626 120.933 120.200 0.180 0.000 2.038 362 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 362 E C 2.427 179.065 176.600 0.063 0.000 1.000 362 E CA 1.350 57.804 56.400 0.091 0.000 0.803 362 E CB -0.652 29.079 29.700 0.051 0.000 0.750 362 E HN 0.387 nan 8.360 nan 0.000 0.448 363 A N 1.533 124.380 122.820 0.046 0.000 1.902 363 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 363 A C 2.445 180.058 177.584 0.049 0.000 1.181 363 A CA 2.212 54.266 52.037 0.028 0.000 0.623 363 A CB -0.632 18.370 19.000 0.004 0.000 0.818 363 A HN 0.284 nan 8.150 nan 0.000 0.443 364 A N -0.529 122.344 122.820 0.088 0.000 1.865 364 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 364 A C 2.258 179.909 177.584 0.110 0.000 1.191 364 A CA 1.933 54.040 52.037 0.115 0.000 0.623 364 A CB -1.083 18.040 19.000 0.205 0.000 0.826 364 A HN 0.412 nan 8.150 nan 0.000 0.444 365 V N 0.205 120.193 119.914 0.124 0.000 2.255 365 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 365 V C 2.413 178.525 176.094 0.029 0.000 1.051 365 V CA 1.824 64.181 62.300 0.094 0.000 1.018 365 V CB -0.653 31.204 31.823 0.057 0.000 0.641 365 V HN 0.571 nan 8.190 nan 0.000 0.445 366 I N 0.274 120.852 120.570 0.014 0.000 2.208 366 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 366 I C 2.505 178.624 176.117 0.002 0.000 1.097 366 I CA 2.122 63.417 61.300 -0.008 0.000 1.363 366 I CB -1.038 36.957 38.000 -0.009 0.000 1.051 366 I HN 0.321 nan 8.210 nan 0.000 0.413 367 A N 0.562 123.394 122.820 0.019 0.000 1.855 367 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 367 A C 2.557 180.160 177.584 0.031 0.000 1.191 367 A CA 1.942 53.992 52.037 0.021 0.000 0.613 367 A CB -1.040 17.975 19.000 0.025 0.000 0.829 367 A HN 0.452 nan 8.150 nan 0.000 0.442 368 A N -0.826 122.024 122.820 0.049 0.000 1.917 368 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 368 A C 2.217 179.836 177.584 0.059 0.000 1.182 368 A CA 2.050 54.127 52.037 0.065 0.000 0.633 368 A CB -0.720 18.336 19.000 0.092 0.000 0.819 368 A HN 0.677 nan 8.150 nan 0.000 0.448 369 Q N -0.359 119.460 119.800 0.032 0.000 2.061 369 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 369 Q C 2.063 178.069 176.000 0.010 0.000 0.984 369 Q CA 2.077 57.882 55.803 0.004 0.000 0.846 369 Q CB -0.132 28.578 28.738 -0.048 0.000 0.902 369 Q HN 0.710 nan 8.270 nan 0.000 0.421 370 K N 0.166 120.568 120.400 0.004 0.000 2.026 370 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 370 K C 1.994 178.597 176.600 0.006 0.000 1.048 370 K CA 1.713 57.997 56.287 -0.005 0.000 0.929 370 K CB -0.073 32.419 32.500 -0.013 0.000 0.713 370 K HN 0.275 nan 8.250 nan 0.000 0.439 371 E N 0.512 120.731 120.200 0.032 0.000 2.130 371 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 371 E C 1.925 178.615 176.600 0.150 0.000 0.998 371 E CA 1.344 57.783 56.400 0.065 0.000 0.806 371 E CB -0.105 29.649 29.700 0.089 0.000 0.738 371 E HN 0.356 nan 8.360 nan 0.000 0.459 372 A N 1.088 123.995 122.820 0.146 0.000 1.874 372 A HA -0.148 4.172 4.320 -0.000 0.000 0.214 372 A C 1.876 179.573 177.584 0.189 0.000 1.189 372 A CA 0.976 53.138 52.037 0.208 0.000 0.615 372 A CB -0.240 18.834 19.000 0.124 0.000 0.830 372 A HN 0.104 nan 8.150 nan 0.000 0.443 373 E N -0.119 120.127 120.200 0.077 0.000 2.333 373 E HA -0.168 4.182 4.350 -0.000 0.000 0.198 373 E C 1.784 178.370 176.600 -0.024 0.000 1.007 373 E CA 0.597 57.015 56.400 0.030 0.000 0.845 373 E CB -0.052 29.646 29.700 -0.003 0.000 0.766 373 E HN 0.481 nan 8.360 nan 0.000 0.507 374 Q N -0.715 119.039 119.800 -0.078 0.000 2.364 374 Q HA -0.149 4.191 4.340 -0.000 0.000 0.209 374 Q C 0.801 176.573 176.000 -0.379 0.000 0.977 374 Q CA 1.210 56.852 55.803 -0.268 0.000 0.885 374 Q CB 0.040 28.543 28.738 -0.393 0.000 0.941 374 Q HN 0.544 nan 8.270 nan 0.000 0.464 375 Y N -1.260 119.012 120.300 -0.047 0.000 2.467 375 Y HA 0.391 4.941 4.550 -0.000 0.000 0.250 375 Y C 1.112 177.005 175.900 -0.012 0.000 1.155 375 Y CA 0.217 58.298 58.100 -0.031 0.000 1.249 375 Y CB 1.221 39.683 38.460 0.003 0.000 1.146 375 Y HN 0.016 nan 8.280 nan 0.000 0.524 376 G N -0.767 108.087 108.800 0.090 0.000 2.345 376 G HA2 0.356 4.316 3.960 -0.000 0.000 0.310 376 G HA3 0.356 4.316 3.960 -0.000 0.000 0.310 376 G C -0.978 173.971 174.900 0.083 0.000 1.476 376 G CA -0.661 44.503 45.100 0.107 0.000 0.978 376 G HN -0.111 nan 8.290 nan 0.000 0.656 377 T N -0.380 114.227 114.554 0.088 0.000 2.654 377 T HA 0.515 4.865 4.350 -0.000 0.000 0.289 377 T C 1.550 176.289 174.700 0.065 0.000 1.062 377 T CA -0.551 61.586 62.100 0.062 0.000 1.041 377 T CB 1.368 70.260 68.868 0.041 0.000 1.417 377 T HN 0.418 nan 8.240 nan 0.000 0.510 378 L N 0.432 121.683 121.223 0.047 0.000 2.072 378 L HA 0.045 4.385 4.340 -0.000 0.000 0.205 378 L C 2.874 179.769 176.870 0.041 0.000 1.079 378 L CA 1.370 56.235 54.840 0.041 0.000 0.752 378 L CB -0.668 41.410 42.059 0.033 0.000 0.906 378 L HN 0.837 nan 8.230 nan 0.000 0.436 379 A N 0.318 123.162 122.820 0.040 0.000 1.835 379 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 379 A C 0.873 178.493 177.584 0.061 0.000 1.199 379 A CA 1.068 53.129 52.037 0.040 0.000 0.615 379 A CB -0.890 18.129 19.000 0.031 0.000 0.838 379 A HN 0.425 nan 8.150 nan 0.000 0.444 380 N N 0.346 119.104 118.700 0.096 0.000 2.412 380 N HA 0.303 5.043 4.740 -0.000 0.000 0.254 380 N C 0.874 176.459 175.510 0.126 0.000 1.232 380 N CA 0.823 53.984 53.050 0.185 0.000 0.880 380 N CB 0.490 39.169 38.487 0.321 0.000 1.076 380 N HN 0.301 nan 8.380 nan 0.000 0.458 381 G N 0.339 109.168 108.800 0.048 0.000 2.848 381 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.208 381 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.208 381 G C -0.232 174.643 174.900 -0.041 0.000 1.152 381 G CA 0.016 45.105 45.100 -0.018 0.000 0.789 381 G HN 0.636 nan 8.290 nan 0.000 0.531 382 H N 0.754 119.841 119.070 0.029 0.000 3.412 382 H HA 0.350 4.906 4.556 -0.000 0.000 0.240 382 H C 0.724 176.080 175.328 0.047 0.000 1.213 382 H CA 0.322 56.394 56.048 0.040 0.000 1.497 382 H CB -0.374 29.415 29.762 0.045 0.000 1.619 382 H HN 0.486 nan 8.280 nan 0.000 0.508 383 I N -0.378 120.253 120.570 0.101 0.000 3.343 383 I HA 0.671 4.841 4.170 -0.000 0.000 0.315 383 I C -2.784 173.367 176.117 0.058 0.000 1.153 383 I CA -3.346 57.999 61.300 0.075 0.000 0.952 383 I CB 2.134 40.161 38.000 0.045 0.000 1.287 383 I HN 0.046 nan 8.210 nan 0.000 0.472 384 P HA 0.143 nan 4.420 nan 0.000 0.272 384 P C -0.634 176.684 177.300 0.030 0.000 1.230 384 P CA -0.241 62.879 63.100 0.034 0.000 0.788 384 P CB 0.577 32.291 31.700 0.022 0.000 0.949 385 S N 0.700 116.421 115.700 0.035 0.000 2.573 385 S HA 0.217 4.687 4.470 -0.000 0.000 0.277 385 S C 1.296 175.925 174.600 0.049 0.000 1.346 385 S CA 0.071 58.295 58.200 0.040 0.000 1.034 385 S CB 0.383 63.610 63.200 0.045 0.000 0.879 385 S HN 0.514 nan 8.310 nan 0.000 0.528 386 A N 2.324 125.180 122.820 0.061 0.000 2.066 386 A HA 0.315 4.635 4.320 -0.000 0.000 0.218 386 A C 2.264 179.959 177.584 0.186 0.000 1.157 386 A CA 1.095 53.186 52.037 0.090 0.000 0.670 386 A CB -1.282 17.773 19.000 0.093 0.000 0.804 386 A HN 1.309 nan 8.150 nan 0.000 0.453 387 A N 0.383 123.299 122.820 0.160 0.000 2.014 387 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 387 A C 2.338 180.047 177.584 0.208 0.000 1.163 387 A CA 1.780 53.934 52.037 0.194 0.000 0.652 387 A CB -0.721 18.332 19.000 0.087 0.000 0.808 387 A HN 0.934 nan 8.150 nan 0.000 0.449 388 S N -1.797 113.978 115.700 0.126 0.000 2.555 388 S HA -0.069 4.401 4.470 -0.000 0.000 0.230 388 S C 1.779 176.420 174.600 0.068 0.000 0.978 388 S CA 1.186 59.440 58.200 0.089 0.000 0.934 388 S CB -0.483 62.746 63.200 0.049 0.000 0.766 388 S HN 0.417 nan 8.310 nan 0.000 0.533 389 M N 0.605 120.234 119.600 0.048 0.000 2.296 389 M HA 0.285 4.765 4.480 -0.000 0.000 0.265 389 M C 1.057 177.220 176.300 -0.229 0.000 1.064 389 M CA 1.090 56.306 55.300 -0.140 0.000 1.109 389 M CB -1.543 30.883 32.600 -0.291 0.000 1.396 389 M HN 0.683 nan 8.290 nan 0.000 0.430 390 F N -0.046 119.904 119.950 -0.000 0.000 2.754 390 F HA 0.326 4.853 4.527 -0.000 0.000 0.297 390 F C 1.206 177.010 175.800 0.008 0.000 1.122 390 F CA -0.173 57.826 58.000 -0.001 0.000 1.400 390 F CB -0.066 38.925 39.000 -0.016 0.000 1.117 390 F HN 0.244 nan 8.300 nan 0.000 0.587 391 E N 0.492 120.790 120.200 0.163 0.000 2.349 391 E HA 0.062 4.412 4.350 -0.000 0.000 0.262 391 E C -0.026 176.614 176.600 0.066 0.000 1.088 391 E CA -0.028 56.437 56.400 0.108 0.000 0.899 391 E CB 0.371 30.119 29.700 0.081 0.000 1.044 391 E HN 0.069 nan 8.360 nan 0.000 0.420 392 D N -0.009 120.429 120.400 0.064 0.000 3.046 392 D HA -0.179 4.461 4.640 -0.000 0.000 0.210 392 D C 1.002 177.301 176.300 -0.001 0.000 1.124 392 D CA 0.716 54.736 54.000 0.033 0.000 0.986 392 D CB -1.415 39.392 40.800 0.012 0.000 1.118 392 D HN 0.213 nan 8.370 nan 0.000 0.416 393 V N -1.054 118.870 119.914 0.018 0.000 2.358 393 V HA -0.130 3.990 4.120 -0.000 0.000 0.246 393 V C 1.114 177.030 176.094 -0.296 0.000 1.047 393 V CA 1.642 63.885 62.300 -0.095 0.000 1.035 393 V CB -0.271 31.566 31.823 0.023 0.000 0.658 393 V HN 0.206 nan 8.190 nan 0.000 0.452 394 Y N -1.472 118.858 120.300 0.050 0.000 2.630 394 Y HA 0.383 4.933 4.550 -0.000 0.000 0.337 394 Y C 1.259 177.183 175.900 0.040 0.000 1.051 394 Y CA -1.078 57.053 58.100 0.050 0.000 1.121 394 Y CB 1.221 39.719 38.460 0.062 0.000 1.299 394 Y HN -0.317 nan 8.280 nan 0.000 0.498 395 K N 0.400 120.922 120.400 0.203 0.000 2.032 395 K HA -0.106 4.214 4.320 -0.000 0.000 0.209 395 K C -0.650 176.015 176.600 0.109 0.000 1.048 395 K CA 1.627 57.986 56.287 0.120 0.000 0.927 395 K CB 0.046 32.605 32.500 0.097 0.000 0.712 395 K HN 0.721 nan 8.250 nan 0.000 0.441 396 E N 0.639 120.909 120.200 0.117 0.000 2.171 396 E HA 0.085 4.435 4.350 -0.000 0.000 0.271 396 E C -1.251 175.394 176.600 0.075 0.000 0.916 396 E CA -0.533 55.912 56.400 0.074 0.000 0.774 396 E CB 1.962 31.689 29.700 0.043 0.000 1.128 396 E HN -0.095 nan 8.360 nan 0.000 0.403 397 M N 4.194 123.827 119.600 0.055 0.000 2.474 397 M HA 0.106 4.586 4.480 -0.000 0.000 0.352 397 M C -2.367 173.914 176.300 -0.031 0.000 1.690 397 M CA -1.058 54.261 55.300 0.033 0.000 1.112 397 M CB -0.843 31.765 32.600 0.014 0.000 2.062 397 M HN 0.371 nan 8.290 nan 0.000 0.461 398 P HA 0.212 nan 4.420 nan 0.000 0.274 398 P C 0.761 177.998 177.300 -0.105 0.000 1.246 398 P CA -0.379 62.654 63.100 -0.112 0.000 0.795 398 P CB 0.490 32.085 31.700 -0.175 0.000 1.006 399 D N 0.412 120.800 120.400 -0.020 0.000 2.154 399 D HA -0.255 4.385 4.640 -0.000 0.000 0.190 399 D C 1.594 177.890 176.300 -0.006 0.000 1.003 399 D CA 1.655 55.652 54.000 -0.004 0.000 0.849 399 D CB -0.215 40.601 40.800 0.026 0.000 0.942 399 D HN 0.596 nan 8.370 nan 0.000 0.446 400 H N 0.447 119.497 119.070 -0.033 0.000 2.421 400 H HA -0.069 4.487 4.556 -0.000 0.000 0.298 400 H C 2.525 177.861 175.328 0.013 0.000 1.087 400 H CA 0.652 56.697 56.048 -0.007 0.000 1.330 400 H CB -0.906 28.861 29.762 0.009 0.000 1.388 400 H HN 0.244 nan 8.280 nan 0.000 0.526 401 L N 0.317 121.123 121.223 -0.696 0.000 2.156 401 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 401 L C 3.098 179.796 176.870 -0.286 0.000 1.095 401 L CA 0.649 55.267 54.840 -0.370 0.000 0.770 401 L CB -0.270 41.630 42.059 -0.266 0.000 0.914 401 L HN 0.171 nan 8.230 nan 0.000 0.439 402 R N 0.105 120.471 120.500 -0.223 0.000 2.083 402 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 402 R C 2.438 178.617 176.300 -0.203 0.000 1.137 402 R CA 1.533 57.520 56.100 -0.189 0.000 0.951 402 R CB -0.283 29.949 30.300 -0.114 0.000 0.851 402 R HN 0.370 nan 8.270 nan 0.000 0.434 403 R N 0.569 120.983 120.500 -0.143 0.000 2.070 403 R HA -0.163 4.177 4.340 -0.000 0.000 0.233 403 R C 2.402 178.609 176.300 -0.154 0.000 1.137 403 R CA 1.652 57.688 56.100 -0.107 0.000 0.945 403 R CB -0.320 29.959 30.300 -0.036 0.000 0.845 403 R HN 0.348 nan 8.270 nan 0.000 0.430 404 Q N -0.019 119.679 119.800 -0.170 0.000 2.170 404 Q HA -0.171 4.169 4.340 -0.000 0.000 0.203 404 Q C 2.204 177.903 176.000 -0.503 0.000 0.976 404 Q CA 1.284 56.993 55.803 -0.157 0.000 0.858 404 Q CB -0.095 28.706 28.738 0.104 0.000 0.907 404 Q HN 0.274 nan 8.270 nan 0.000 0.433 405 R N 0.370 120.300 120.500 -0.950 0.000 2.073 405 R HA -0.142 4.198 4.340 -0.000 0.000 0.229 405 R C 2.310 178.374 176.300 -0.394 0.000 1.120 405 R CA 1.006 56.489 56.100 -1.029 0.000 0.967 405 R CB -0.024 29.698 30.300 -0.964 0.000 0.862 405 R HN 0.146 nan 8.270 nan 0.000 0.436 406 Q N 1.311 120.945 119.800 -0.277 0.000 2.152 406 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 406 Q C 1.263 177.202 176.000 -0.102 0.000 0.985 406 Q CA 1.900 57.614 55.803 -0.148 0.000 0.863 406 Q CB -0.078 28.592 28.738 -0.113 0.000 0.904 406 Q HN 0.520 nan 8.270 nan 0.000 0.422 407 E N -0.451 119.687 120.200 -0.103 0.000 2.511 407 E HA -0.030 4.320 4.350 -0.000 0.000 0.196 407 E C 0.130 176.722 176.600 -0.013 0.000 1.066 407 E CA -0.233 56.140 56.400 -0.044 0.000 0.871 407 E CB 0.172 29.857 29.700 -0.025 0.000 0.863 407 E HN 0.090 nan 8.360 nan 0.000 0.520 408 L N 0.000 121.210 121.223 -0.022 0.000 2.949 408 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 408 L CA 0.000 54.859 54.840 0.032 0.000 0.813 408 L CB 0.000 42.120 42.059 0.102 0.000 0.961 408 L HN 0.000 nan 8.230 nan 0.000 0.502