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 1lrq_1_B DATA FIRST_RESID 2003 DATA SEQUENCE KFLVIAGPCA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCRQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATGSVQLPGX XXXXXXGMRE DATA SEQUENCE FIFPLIRAAV AVGCDGVFME THPEPEKALS DASTQLPLSQ LEGIIEAILE DATA SEQUENCE IREVASKYYE TI 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 2003 K HA 0.000 nan 4.320 nan 0.000 0.191 2003 K C 0.000 176.688 176.600 0.146 0.000 0.988 2003 K CA 0.000 56.364 56.287 0.128 0.000 0.838 2003 K CB 0.000 32.574 32.500 0.123 0.000 1.064 2004 F N 1.662 121.626 119.950 0.024 0.000 2.578 2004 F HA 0.209 4.736 4.527 0.001 0.000 0.376 2004 F C -0.182 175.582 175.800 -0.060 0.000 1.085 2004 F CA -0.308 57.691 58.000 -0.002 0.000 1.260 2004 F CB 0.540 39.532 39.000 -0.012 0.000 1.095 2004 F HN 0.427 nan 8.300 nan 0.000 0.573 2005 L N 6.706 127.529 121.223 -0.666 0.000 2.309 2005 L HA 0.576 4.916 4.340 0.001 0.000 0.282 2005 L C -1.214 175.268 176.870 -0.646 0.000 1.036 2005 L CA -0.470 54.062 54.840 -0.514 0.000 0.806 2005 L CB 1.584 43.431 42.059 -0.353 0.000 1.220 2005 L HN 0.385 nan 8.230 nan 0.000 0.429 2006 V N 6.724 126.342 119.914 -0.493 0.000 2.380 2006 V HA 0.410 4.531 4.120 0.001 0.000 0.286 2006 V C -0.166 175.745 176.094 -0.304 0.000 1.015 2006 V CA -0.398 61.641 62.300 -0.436 0.000 0.834 2006 V CB 1.354 32.790 31.823 -0.644 0.000 1.009 2006 V HN 0.560 nan 8.190 nan 0.000 0.428 2007 I N 4.585 125.002 120.570 -0.256 0.000 2.315 2007 I HA 0.795 4.966 4.170 0.001 0.000 0.291 2007 I C 0.366 176.229 176.117 -0.424 0.000 1.006 2007 I CA -0.045 61.091 61.300 -0.274 0.000 1.265 2007 I CB 1.430 39.308 38.000 -0.204 0.000 1.387 2007 I HN 0.679 nan 8.210 nan 0.000 0.475 2008 A N 4.631 127.234 122.820 -0.362 0.000 2.594 2008 A HA 0.994 5.315 4.320 0.001 0.000 0.295 2008 A C -0.452 176.837 177.584 -0.492 0.000 1.071 2008 A CA -0.282 51.513 52.037 -0.403 0.000 0.685 2008 A CB 1.991 20.878 19.000 -0.187 0.000 1.285 2008 A HN 0.912 nan 8.150 nan 0.000 0.405 2009 G N 0.094 108.586 108.800 -0.512 0.000 2.321 2009 G HA2 0.535 4.495 3.960 0.001 0.000 0.298 2009 G HA3 0.535 4.495 3.960 0.001 0.000 0.298 2009 G C -3.580 171.085 174.900 -0.392 0.000 1.385 2009 G CA -0.315 44.390 45.100 -0.659 0.000 0.856 2009 G HN 0.696 nan 8.290 nan 0.000 0.584 2010 P HA 0.207 nan 4.420 nan 0.000 0.271 2010 P C 1.349 178.619 177.300 -0.050 0.000 1.218 2010 P CA -0.028 63.029 63.100 -0.071 0.000 0.780 2010 P CB 1.595 33.300 31.700 0.009 0.000 0.901 2011 C N 3.138 122.449 119.300 0.019 0.000 2.393 2011 C HA -0.022 4.438 4.460 0.001 0.000 0.276 2011 C C 1.270 176.307 174.990 0.078 0.000 1.215 2011 C CA 1.764 60.803 59.018 0.036 0.000 1.743 2011 C CB -1.372 26.403 27.740 0.059 0.000 2.044 2011 C HN 0.704 nan 8.230 nan 0.000 0.464 2012 A N -0.671 122.241 122.820 0.152 0.000 2.380 2012 A HA 0.713 5.034 4.320 0.001 0.000 0.315 2012 A C -0.464 177.294 177.584 0.290 0.000 1.101 2012 A CA -0.603 51.580 52.037 0.243 0.000 0.771 2012 A CB 0.529 19.771 19.000 0.403 0.000 1.287 2012 A HN 0.434 nan 8.150 nan 0.000 0.436 2013 I N 2.262 123.045 120.570 0.356 0.000 2.278 2013 I HA 0.047 4.218 4.170 0.001 0.000 0.300 2013 I C 0.768 177.198 176.117 0.521 0.000 1.174 2013 I CA 0.239 61.777 61.300 0.397 0.000 1.347 2013 I CB 0.010 38.268 38.000 0.430 0.000 1.473 2013 I HN 0.840 nan 8.210 nan 0.000 0.595 2014 E N 3.440 123.861 120.200 0.367 0.000 2.347 2014 E HA -0.048 4.303 4.350 0.001 0.000 0.196 2014 E C 0.302 177.091 176.600 0.316 0.000 1.008 2014 E CA 0.347 56.923 56.400 0.294 0.000 0.852 2014 E CB 0.114 29.847 29.700 0.055 0.000 0.783 2014 E HN 0.727 nan 8.360 nan 0.000 0.505 2015 S N -0.629 115.237 115.700 0.276 0.000 2.714 2015 S HA -0.008 4.463 4.470 0.001 0.000 0.284 2015 S C 0.118 174.846 174.600 0.214 0.000 1.019 2015 S CA -0.784 57.551 58.200 0.225 0.000 0.856 2015 S CB 0.690 63.956 63.200 0.111 0.000 1.075 2015 S HN 0.223 nan 8.310 nan 0.000 0.455 2016 E N 0.514 120.814 120.200 0.167 0.000 2.478 2016 E HA -0.067 4.283 4.350 0.001 0.000 0.198 2016 E C 1.276 177.905 176.600 0.048 0.000 1.046 2016 E CA 0.869 57.295 56.400 0.043 0.000 0.870 2016 E CB -0.075 29.564 29.700 -0.103 0.000 0.818 2016 E HN 0.752 nan 8.360 nan 0.000 0.527 2017 E N 0.946 121.185 120.200 0.065 0.000 2.028 2017 E HA -0.196 4.155 4.350 0.001 0.000 0.191 2017 E C 2.091 178.718 176.600 0.044 0.000 0.988 2017 E CA 0.894 57.321 56.400 0.046 0.000 0.799 2017 E CB -0.045 29.681 29.700 0.043 0.000 0.755 2017 E HN 0.349 nan 8.360 nan 0.000 0.447 2018 L N 1.256 122.509 121.223 0.051 0.000 2.012 2018 L HA -0.176 4.165 4.340 0.001 0.000 0.210 2018 L C 2.211 179.116 176.870 0.059 0.000 1.073 2018 L CA 1.605 56.455 54.840 0.018 0.000 0.748 2018 L CB -0.476 41.589 42.059 0.009 0.000 0.891 2018 L HN 0.242 nan 8.230 nan 0.000 0.431 2019 L N -1.148 120.150 121.223 0.125 0.000 2.079 2019 L HA -0.257 4.083 4.340 0.001 0.000 0.210 2019 L C 2.573 179.479 176.870 0.059 0.000 1.081 2019 L CA 1.447 56.408 54.840 0.202 0.000 0.752 2019 L CB -0.733 41.435 42.059 0.182 0.000 0.896 2019 L HN 0.363 nan 8.230 nan 0.000 0.433 2020 L N -0.188 121.069 121.223 0.057 0.000 2.109 2020 L HA -0.192 4.149 4.340 0.001 0.000 0.207 2020 L C 2.704 179.626 176.870 0.087 0.000 1.086 2020 L CA 1.179 56.096 54.840 0.128 0.000 0.760 2020 L CB -0.459 41.665 42.059 0.109 0.000 0.910 2020 L HN 0.258 nan 8.230 nan 0.000 0.437 2021 K N 0.158 120.580 120.400 0.037 0.000 2.097 2021 K HA -0.128 4.193 4.320 0.001 0.000 0.205 2021 K C 1.920 178.492 176.600 -0.046 0.000 1.050 2021 K CA 1.163 57.447 56.287 -0.004 0.000 0.938 2021 K CB 0.157 32.647 32.500 -0.016 0.000 0.718 2021 K HN 0.087 nan 8.250 nan 0.000 0.442 2022 V N 0.352 120.261 119.914 -0.009 0.000 2.407 2022 V HA -0.073 4.048 4.120 0.001 0.000 0.245 2022 V C 2.373 178.462 176.094 -0.008 0.000 1.041 2022 V CA 1.871 64.188 62.300 0.027 0.000 1.040 2022 V CB -0.533 31.371 31.823 0.135 0.000 0.671 2022 V HN 0.564 nan 8.190 nan 0.000 0.455 2023 G N -0.332 108.395 108.800 -0.122 0.000 2.432 2023 G HA2 -0.299 3.661 3.960 0.001 0.000 0.219 2023 G HA3 -0.299 3.661 3.960 0.001 0.000 0.219 2023 G C 1.495 175.738 174.900 -1.095 0.000 1.135 2023 G CA 1.010 45.778 45.100 -0.555 0.000 0.767 2023 G HN 0.591 nan 8.290 nan 0.000 0.550 2024 E N 0.205 119.838 120.200 -0.945 0.000 2.077 2024 E HA -0.183 4.167 4.350 0.001 0.000 0.193 2024 E C 2.264 178.600 176.600 -0.440 0.000 0.989 2024 E CA 1.424 57.347 56.400 -0.794 0.000 0.800 2024 E CB -0.116 29.456 29.700 -0.213 0.000 0.746 2024 E HN 0.426 nan 8.360 nan 0.000 0.452 2025 E N 0.459 120.492 120.200 -0.279 0.000 2.107 2025 E HA -0.139 4.211 4.350 0.001 0.000 0.191 2025 E C 1.905 178.386 176.600 -0.199 0.000 0.982 2025 E CA 1.031 57.326 56.400 -0.174 0.000 0.809 2025 E CB -0.149 29.492 29.700 -0.098 0.000 0.756 2025 E HN 0.308 nan 8.360 nan 0.000 0.459 2026 I N 0.955 121.398 120.570 -0.212 0.000 2.286 2026 I HA -0.185 3.986 4.170 0.001 0.000 0.248 2026 I C 2.176 178.076 176.117 -0.361 0.000 1.115 2026 I CA 1.150 62.329 61.300 -0.202 0.000 1.392 2026 I CB -1.119 36.876 38.000 -0.009 0.000 1.065 2026 I HN 0.152 nan 8.210 nan 0.000 0.418 2027 K N 1.526 121.693 120.400 -0.388 0.000 2.057 2027 K HA -0.164 4.157 4.320 0.001 0.000 0.206 2027 K C 2.294 178.741 176.600 -0.256 0.000 1.050 2027 K CA 1.339 57.438 56.287 -0.313 0.000 0.935 2027 K CB -0.348 31.954 32.500 -0.331 0.000 0.715 2027 K HN 0.106 nan 8.250 nan 0.000 0.439 2028 R N -0.221 120.140 120.500 -0.232 0.000 2.083 2028 R HA -0.093 4.248 4.340 0.001 0.000 0.237 2028 R C 1.799 177.986 176.300 -0.189 0.000 1.137 2028 R CA 1.428 57.428 56.100 -0.166 0.000 0.951 2028 R CB -0.239 29.987 30.300 -0.125 0.000 0.851 2028 R HN 0.152 nan 8.270 nan 0.000 0.434 2029 L N 0.486 121.569 121.223 -0.233 0.000 2.093 2029 L HA -0.094 4.246 4.340 0.001 0.000 0.208 2029 L C 2.489 179.123 176.870 -0.393 0.000 1.085 2029 L CA 1.626 56.370 54.840 -0.161 0.000 0.755 2029 L CB -1.465 40.530 42.059 -0.106 0.000 0.904 2029 L HN 0.241 nan 8.230 nan 0.000 0.435 2030 S N -0.684 114.541 115.700 -0.791 0.000 2.383 2030 S HA -0.172 4.298 4.470 0.001 0.000 0.229 2030 S C 1.815 176.334 174.600 -0.136 0.000 1.030 2030 S CA 1.151 58.973 58.200 -0.630 0.000 1.002 2030 S CB 0.054 63.007 63.200 -0.411 0.000 0.829 2030 S HN 0.405 nan 8.310 nan 0.000 0.467 2031 E N 0.800 120.914 120.200 -0.143 0.000 2.216 2031 E HA -0.015 4.335 4.350 0.001 0.000 0.192 2031 E C 1.974 178.514 176.600 -0.100 0.000 0.988 2031 E CA 0.651 57.005 56.400 -0.078 0.000 0.834 2031 E CB -0.210 29.443 29.700 -0.078 0.000 0.772 2031 E HN 0.606 nan 8.360 nan 0.000 0.479 2032 K N -0.232 120.057 120.400 -0.184 0.000 2.116 2032 K HA -0.009 4.312 4.320 0.001 0.000 0.203 2032 K C 0.097 176.418 176.600 -0.466 0.000 1.052 2032 K CA 0.525 56.583 56.287 -0.382 0.000 0.952 2032 K CB 0.163 32.310 32.500 -0.588 0.000 0.729 2032 K HN -0.073 nan 8.250 nan 0.000 0.446 2033 F N 1.716 121.731 119.950 0.109 0.000 2.334 2033 F HA 0.300 4.827 4.527 0.001 0.000 0.343 2033 F C 0.636 176.578 175.800 0.237 0.000 1.136 2033 F CA -0.836 57.287 58.000 0.206 0.000 1.237 2033 F CB 1.237 40.447 39.000 0.351 0.000 1.525 2033 F HN -0.226 nan 8.300 nan 0.000 0.528 2034 K N 0.530 121.072 120.400 0.237 0.000 2.360 2034 K HA -0.165 4.155 4.320 0.001 0.000 0.201 2034 K C 1.712 178.436 176.600 0.206 0.000 1.046 2034 K CA 0.818 57.221 56.287 0.193 0.000 0.945 2034 K CB 0.134 32.697 32.500 0.106 0.000 0.750 2034 K HN 0.437 nan 8.250 nan 0.000 0.464 2035 E N 0.476 120.811 120.200 0.224 0.000 2.358 2035 E HA -0.029 4.322 4.350 0.001 0.000 0.195 2035 E C -0.110 176.606 176.600 0.194 0.000 1.010 2035 E CA 0.188 56.697 56.400 0.182 0.000 0.856 2035 E CB 0.384 30.183 29.700 0.164 0.000 0.795 2035 E HN -0.128 nan 8.360 nan 0.000 0.504 2036 V N 1.135 121.198 119.914 0.249 0.000 2.612 2036 V HA 0.240 4.360 4.120 0.001 0.000 0.301 2036 V C -0.030 176.144 176.094 0.134 0.000 1.046 2036 V CA -0.738 61.643 62.300 0.135 0.000 0.946 2036 V CB 1.665 33.456 31.823 -0.053 0.000 1.003 2036 V HN 0.051 nan 8.190 nan 0.000 0.459 2037 E N 2.939 123.137 120.200 -0.003 0.000 2.081 2037 E HA 0.405 4.756 4.350 0.001 0.000 0.276 2037 E C -1.545 175.016 176.600 -0.065 0.000 0.950 2037 E CA -0.489 55.947 56.400 0.060 0.000 0.776 2037 E CB 0.672 30.395 29.700 0.039 0.000 1.094 2037 E HN 0.490 nan 8.360 nan 0.000 0.402 2038 F N 2.963 122.937 119.950 0.041 0.000 2.385 2038 F HA 0.349 4.877 4.527 0.001 0.000 0.336 2038 F C 0.024 175.834 175.800 0.015 0.000 1.100 2038 F CA -0.624 57.387 58.000 0.019 0.000 1.116 2038 F CB 1.523 40.548 39.000 0.042 0.000 1.166 2038 F HN 0.129 nan 8.300 nan 0.000 0.511 2039 V N 4.226 124.218 119.914 0.130 0.000 2.525 2039 V HA 0.240 4.361 4.120 0.001 0.000 0.299 2039 V C -0.789 175.360 176.094 0.091 0.000 1.034 2039 V CA -1.024 61.329 62.300 0.089 0.000 0.863 2039 V CB 1.645 33.457 31.823 -0.018 0.000 0.999 2039 V HN 0.549 nan 8.190 nan 0.000 0.423 2040 F N 5.871 125.826 119.950 0.008 0.000 2.427 2040 F HA 0.543 5.071 4.527 0.001 0.000 0.352 2040 F C 0.234 176.014 175.800 -0.034 0.000 1.100 2040 F CA 0.260 58.250 58.000 -0.017 0.000 1.191 2040 F CB 0.537 39.541 39.000 0.006 0.000 1.128 2040 F HN 0.391 nan 8.300 nan 0.000 0.533 2041 K N 4.552 124.543 120.400 -0.682 0.000 2.375 2041 K HA 0.638 4.959 4.320 0.001 0.000 0.249 2041 K C -1.655 174.631 176.600 -0.524 0.000 0.942 2041 K CA -0.477 55.549 56.287 -0.436 0.000 0.806 2041 K CB 1.895 34.162 32.500 -0.389 0.000 1.227 2041 K HN 0.705 nan 8.250 nan 0.000 0.430 2042 S N 0.963 116.561 115.700 -0.169 0.000 2.580 2042 S HA 0.336 4.806 4.470 0.001 0.000 0.281 2042 S C -1.780 172.858 174.600 0.063 0.000 1.129 2042 S CA -0.538 57.633 58.200 -0.048 0.000 0.862 2042 S CB 1.068 64.302 63.200 0.056 0.000 1.090 2042 S HN 0.504 nan 8.310 nan 0.000 0.451 2043 S N 2.954 118.690 115.700 0.061 0.000 2.480 2043 S HA 0.408 4.879 4.470 0.001 0.000 0.286 2043 S C 0.721 175.369 174.600 0.081 0.000 1.180 2043 S CA -0.605 57.595 58.200 -0.001 0.000 1.075 2043 S CB 0.428 63.599 63.200 -0.048 0.000 0.996 2043 S HN 0.675 nan 8.310 nan 0.000 0.487 2044 F N 0.552 120.598 119.950 0.160 0.000 2.710 2044 F HA 0.441 4.968 4.527 0.001 0.000 0.298 2044 F C 0.391 176.255 175.800 0.107 0.000 1.137 2044 F CA -0.345 57.757 58.000 0.171 0.000 1.444 2044 F CB -0.059 39.036 39.000 0.159 0.000 1.111 2044 F HN 0.459 nan 8.300 nan 0.000 0.580 2045 D N 0.180 120.415 120.400 -0.275 0.000 2.937 2045 D HA 0.216 4.857 4.640 0.001 0.000 0.215 2045 D C -1.515 174.570 176.300 -0.359 0.000 1.274 2045 D CA -0.612 53.233 54.000 -0.259 0.000 0.869 2045 D CB 1.234 41.927 40.800 -0.178 0.000 1.675 2045 D HN -0.171 nan 8.370 nan 0.000 0.538 2046 K N 3.019 123.247 120.400 -0.288 0.000 2.231 2046 K HA 0.526 4.847 4.320 0.001 0.000 0.255 2046 K C 0.402 176.838 176.600 -0.273 0.000 1.108 2046 K CA -0.352 55.804 56.287 -0.219 0.000 0.997 2046 K CB 0.931 33.364 32.500 -0.112 0.000 1.549 2046 K HN 0.462 nan 8.250 nan 0.000 0.419 2047 A N 2.616 125.175 122.820 -0.436 0.000 2.235 2047 A HA -0.087 4.233 4.320 0.001 0.000 0.208 2047 A C 0.963 178.463 177.584 -0.140 0.000 1.172 2047 A CA 0.646 52.461 52.037 -0.370 0.000 0.786 2047 A CB -0.589 18.007 19.000 -0.673 0.000 0.804 2047 A HN 0.805 nan 8.150 nan 0.000 0.479 2048 N N -1.358 117.303 118.700 -0.065 0.000 2.433 2048 N HA 0.133 4.873 4.740 0.001 0.000 0.270 2048 N C -0.341 175.209 175.510 0.067 0.000 1.354 2048 N CA -0.744 52.343 53.050 0.061 0.000 0.889 2048 N CB 0.506 39.109 38.487 0.194 0.000 1.285 2048 N HN -0.067 nan 8.380 nan 0.000 0.503 2049 R N 0.591 121.095 120.500 0.007 0.000 2.679 2049 R HA 0.096 4.436 4.340 0.001 0.000 0.268 2049 R C 0.929 177.248 176.300 0.031 0.000 1.044 2049 R CA 0.049 56.161 56.100 0.019 0.000 1.105 2049 R CB 0.630 30.928 30.300 -0.004 0.000 0.989 2049 R HN 0.212 nan 8.270 nan 0.000 0.447 2050 S N 0.464 116.189 115.700 0.042 0.000 2.368 2050 S HA -0.098 4.372 4.470 0.001 0.000 0.224 2050 S C 1.049 175.651 174.600 0.004 0.000 1.029 2050 S CA 1.043 59.262 58.200 0.032 0.000 0.988 2050 S CB 0.036 63.260 63.200 0.040 0.000 0.838 2050 S HN 0.638 nan 8.310 nan 0.000 0.462 2051 S N 0.100 115.802 115.700 0.004 0.000 2.525 2051 S HA 0.375 4.846 4.470 0.001 0.000 0.290 2051 S C 0.720 175.279 174.600 -0.068 0.000 1.152 2051 S CA -0.702 57.486 58.200 -0.020 0.000 1.072 2051 S CB 0.938 64.156 63.200 0.030 0.000 1.027 2051 S HN 0.168 nan 8.310 nan 0.000 0.500 2052 I N 4.124 124.589 120.570 -0.174 0.000 2.614 2052 I HA -0.004 4.167 4.170 0.001 0.000 0.258 2052 I C 1.259 177.235 176.117 -0.236 0.000 1.189 2052 I CA 1.741 62.897 61.300 -0.240 0.000 1.462 2052 I CB -0.352 37.439 38.000 -0.348 0.000 1.092 2052 I HN 0.844 nan 8.210 nan 0.000 0.442 2053 H N -1.217 117.855 119.070 0.003 0.000 2.526 2053 H HA 0.309 4.866 4.556 0.001 0.000 0.274 2053 H C 1.016 176.359 175.328 0.025 0.000 0.999 2053 H CA -0.164 55.890 56.048 0.011 0.000 1.157 2053 H CB 0.114 29.883 29.762 0.012 0.000 1.407 2053 H HN 0.165 nan 8.280 nan 0.000 0.568 2054 S N 0.402 116.162 115.700 0.100 0.000 2.652 2054 S HA 0.103 4.574 4.470 0.001 0.000 0.270 2054 S C -0.283 174.378 174.600 0.102 0.000 1.243 2054 S CA -0.795 57.467 58.200 0.104 0.000 0.999 2054 S CB 0.707 63.952 63.200 0.076 0.000 0.973 2054 S HN 0.255 nan 8.310 nan 0.000 0.544 2055 F N 1.846 121.793 119.950 -0.005 0.000 2.543 2055 F HA 0.215 4.742 4.527 0.001 0.000 0.375 2055 F C 1.254 177.031 175.800 -0.039 0.000 1.075 2055 F CA 0.195 58.178 58.000 -0.028 0.000 1.225 2055 F CB 0.366 39.352 39.000 -0.023 0.000 1.099 2055 F HN 0.541 nan 8.300 nan 0.000 0.561 2056 R N 3.254 123.238 120.500 -0.861 0.000 2.140 2056 R HA 0.469 4.809 4.340 0.001 0.000 0.200 2056 R C 0.601 176.290 176.300 -1.017 0.000 1.069 2056 R CA 0.238 55.918 56.100 -0.699 0.000 1.088 2056 R CB 0.194 30.261 30.300 -0.389 0.000 1.012 2056 R HN 0.898 nan 8.270 nan 0.000 0.500 2057 G N -0.785 107.166 108.800 -1.415 0.000 2.350 2057 G HA2 -0.067 3.894 3.960 0.001 0.000 0.282 2057 G HA3 -0.067 3.894 3.960 0.001 0.000 0.282 2057 G C -1.150 173.440 174.900 -0.517 0.000 1.314 2057 G CA -0.826 43.758 45.100 -0.860 0.000 0.915 2057 G HN 0.305 nan 8.290 nan 0.000 0.499 2058 H N 0.186 119.270 119.070 0.024 0.000 2.542 2058 H HA 0.520 5.077 4.556 0.001 0.000 0.283 2058 H C 1.122 176.499 175.328 0.081 0.000 1.059 2058 H CA 1.024 57.058 56.048 -0.024 0.000 1.162 2058 H CB 0.661 30.231 29.762 -0.319 0.000 1.539 2058 H HN 1.751 nan 8.280 nan 0.000 0.543 2059 G N 0.125 109.058 108.800 0.222 0.000 2.662 2059 G HA2 -0.224 3.737 3.960 0.001 0.000 0.686 2059 G HA3 -0.224 3.737 3.960 0.001 0.000 0.686 2059 G C 0.214 175.265 174.900 0.251 0.000 1.271 2059 G CA -0.288 44.953 45.100 0.235 0.000 0.816 2059 G HN 0.201 nan 8.290 nan 0.000 0.608 2060 L N 0.499 121.772 121.223 0.083 0.000 1.994 2060 L HA 0.087 4.428 4.340 0.001 0.000 0.208 2060 L C 2.579 179.353 176.870 -0.161 0.000 1.071 2060 L CA 3.119 57.743 54.840 -0.359 0.000 0.745 2060 L CB -0.855 40.945 42.059 -0.432 0.000 0.892 2060 L HN 0.835 nan 8.230 nan 0.000 0.431 2061 E N -1.551 118.649 120.200 0.000 0.000 2.038 2061 E HA -0.319 4.031 4.350 0.001 0.000 0.195 2061 E C 2.153 178.798 176.600 0.075 0.000 1.000 2061 E CA 1.936 58.356 56.400 0.033 0.000 0.803 2061 E CB -0.459 29.284 29.700 0.071 0.000 0.750 2061 E HN 0.631 nan 8.360 nan 0.000 0.448 2062 Y N 0.828 121.157 120.300 0.048 0.000 2.224 2062 Y HA -0.167 4.384 4.550 0.001 0.000 0.289 2062 Y C 2.200 178.153 175.900 0.087 0.000 1.146 2062 Y CA 1.771 59.913 58.100 0.071 0.000 1.182 2062 Y CB -0.478 38.052 38.460 0.117 0.000 0.983 2062 Y HN 0.007 nan 8.280 nan 0.000 0.524 2063 G N -0.654 108.294 108.800 0.247 0.000 2.404 2063 G HA2 -0.221 3.740 3.960 0.001 0.000 0.215 2063 G HA3 -0.221 3.740 3.960 0.001 0.000 0.215 2063 G C 1.674 176.618 174.900 0.074 0.000 1.174 2063 G CA 1.247 46.485 45.100 0.229 0.000 0.780 2063 G HN 0.339 nan 8.290 nan 0.000 0.537 2064 V N 1.044 120.952 119.914 -0.009 0.000 2.407 2064 V HA -0.178 3.943 4.120 0.001 0.000 0.248 2064 V C 2.676 178.743 176.094 -0.046 0.000 1.055 2064 V CA 2.271 64.554 62.300 -0.029 0.000 1.049 2064 V CB -0.397 31.381 31.823 -0.074 0.000 0.662 2064 V HN 0.467 nan 8.190 nan 0.000 0.455 2065 K N 0.465 120.809 120.400 -0.093 0.000 2.026 2065 K HA -0.203 4.118 4.320 0.001 0.000 0.208 2065 K C 2.224 178.727 176.600 -0.161 0.000 1.048 2065 K CA 1.724 57.931 56.287 -0.133 0.000 0.929 2065 K CB -0.372 32.019 32.500 -0.182 0.000 0.713 2065 K HN 0.402 nan 8.250 nan 0.000 0.439 2066 A N 1.531 124.214 122.820 -0.229 0.000 1.883 2066 A HA -0.139 4.182 4.320 0.001 0.000 0.217 2066 A C 2.187 179.731 177.584 -0.067 0.000 1.186 2066 A CA 1.493 53.421 52.037 -0.182 0.000 0.624 2066 A CB -0.704 18.186 19.000 -0.183 0.000 0.822 2066 A HN 0.358 nan 8.150 nan 0.000 0.444 2067 L N -1.351 119.874 121.223 0.004 0.000 2.083 2067 L HA -0.165 4.176 4.340 0.001 0.000 0.209 2067 L C 2.796 179.660 176.870 -0.010 0.000 1.083 2067 L CA 1.559 56.429 54.840 0.049 0.000 0.752 2067 L CB -0.457 41.678 42.059 0.127 0.000 0.899 2067 L HN 0.430 nan 8.230 nan 0.000 0.433 2068 R N 0.545 121.028 120.500 -0.030 0.000 2.081 2068 R HA -0.224 4.116 4.340 0.001 0.000 0.235 2068 R C 2.334 178.592 176.300 -0.070 0.000 1.131 2068 R CA 1.552 57.627 56.100 -0.041 0.000 0.960 2068 R CB -0.002 30.269 30.300 -0.047 0.000 0.856 2068 R HN 0.029 nan 8.270 nan 0.000 0.436 2069 K N -0.021 120.322 120.400 -0.094 0.000 2.097 2069 K HA -0.068 4.253 4.320 0.001 0.000 0.206 2069 K C 1.707 178.218 176.600 -0.147 0.000 1.049 2069 K CA 1.302 57.514 56.287 -0.124 0.000 0.933 2069 K CB -0.164 32.260 32.500 -0.128 0.000 0.717 2069 K HN 0.036 nan 8.250 nan 0.000 0.442 2070 V N 1.089 120.926 119.914 -0.129 0.000 2.307 2070 V HA -0.203 3.918 4.120 0.001 0.000 0.245 2070 V C 2.428 178.488 176.094 -0.056 0.000 1.045 2070 V CA 2.091 64.318 62.300 -0.121 0.000 1.024 2070 V CB -0.490 31.099 31.823 -0.391 0.000 0.651 2070 V HN 0.427 nan 8.190 nan 0.000 0.449 2071 K N 0.095 120.462 120.400 -0.055 0.000 2.097 2071 K HA -0.200 4.121 4.320 0.001 0.000 0.205 2071 K C 2.051 178.628 176.600 -0.039 0.000 1.050 2071 K CA 1.734 58.012 56.287 -0.014 0.000 0.938 2071 K CB -0.050 32.451 32.500 0.002 0.000 0.718 2071 K HN 0.597 nan 8.250 nan 0.000 0.442 2072 E N 0.242 120.393 120.200 -0.083 0.000 2.072 2072 E HA -0.175 4.176 4.350 0.001 0.000 0.190 2072 E C 1.924 178.420 176.600 -0.173 0.000 0.982 2072 E CA 0.993 57.330 56.400 -0.104 0.000 0.803 2072 E CB 0.059 29.697 29.700 -0.104 0.000 0.755 2072 E HN 0.392 nan 8.360 nan 0.000 0.453 2073 E N -0.483 119.539 120.200 -0.296 0.000 2.216 2073 E HA -0.103 4.247 4.350 0.001 0.000 0.192 2073 E C 0.794 176.968 176.600 -0.709 0.000 0.988 2073 E CA 0.734 56.799 56.400 -0.559 0.000 0.834 2073 E CB 0.244 29.458 29.700 -0.809 0.000 0.772 2073 E HN 0.157 nan 8.360 nan 0.000 0.479 2074 F N -1.401 118.490 119.950 -0.098 0.000 2.767 2074 F HA 0.350 4.878 4.527 0.001 0.000 0.323 2074 F C 1.227 176.990 175.800 -0.063 0.000 1.091 2074 F CA 0.334 58.280 58.000 -0.090 0.000 1.192 2074 F CB 1.165 40.090 39.000 -0.125 0.000 1.056 2074 F HN 0.041 nan 8.300 nan 0.000 0.571 2075 G N 1.920 110.767 108.800 0.077 0.000 2.221 2075 G HA2 -0.298 3.663 3.960 0.001 0.000 0.265 2075 G HA3 -0.298 3.663 3.960 0.001 0.000 0.265 2075 G C -0.061 174.887 174.900 0.080 0.000 1.041 2075 G CA 0.047 45.181 45.100 0.057 0.000 0.807 2075 G HN 0.291 nan 8.290 nan 0.000 0.502 2076 L N -0.475 120.805 121.223 0.095 0.000 2.343 2076 L HA 0.467 4.807 4.340 0.001 0.000 0.275 2076 L C 1.131 178.063 176.870 0.104 0.000 1.056 2076 L CA -0.962 53.941 54.840 0.105 0.000 0.804 2076 L CB 1.116 43.237 42.059 0.104 0.000 1.203 2076 L HN 0.034 nan 8.230 nan 0.000 0.440 2077 K N 2.168 122.640 120.400 0.119 0.000 2.276 2077 K HA 0.404 4.724 4.320 0.001 0.000 0.259 2077 K C -0.678 176.004 176.600 0.137 0.000 1.001 2077 K CA -0.352 55.998 56.287 0.106 0.000 0.927 2077 K CB 0.810 33.365 32.500 0.092 0.000 0.969 2077 K HN 0.288 nan 8.250 nan 0.000 0.490 2078 I N 0.623 121.264 120.570 0.119 0.000 2.785 2078 I HA 0.282 4.453 4.170 0.001 0.000 0.302 2078 I C -0.042 176.138 176.117 0.105 0.000 1.069 2078 I CA -0.413 60.979 61.300 0.153 0.000 1.045 2078 I CB 1.912 40.001 38.000 0.147 0.000 1.236 2078 I HN 0.565 nan 8.210 nan 0.000 0.429 2079 T N 2.742 117.358 114.554 0.103 0.000 2.993 2079 T HA 0.626 4.977 4.350 0.001 0.000 0.312 2079 T C -1.046 173.697 174.700 0.071 0.000 1.115 2079 T CA -0.210 61.927 62.100 0.062 0.000 1.027 2079 T CB 1.550 70.430 68.868 0.019 0.000 1.116 2079 T HN 0.853 nan 8.240 nan 0.000 0.464 2080 T N 2.405 117.003 114.554 0.073 0.000 2.821 2080 T HA 0.571 4.922 4.350 0.001 0.000 0.306 2080 T C -1.980 172.723 174.700 0.005 0.000 1.313 2080 T CA -0.714 61.431 62.100 0.074 0.000 1.012 2080 T CB 1.466 70.452 68.868 0.197 0.000 1.298 2080 T HN 0.782 nan 8.240 nan 0.000 0.502 2081 D N 2.431 122.766 120.400 -0.108 0.000 2.229 2081 D HA 0.546 5.186 4.640 0.001 0.000 0.249 2081 D C 0.291 176.309 176.300 -0.470 0.000 1.027 2081 D CA -0.672 53.175 54.000 -0.254 0.000 0.923 2081 D CB 0.957 41.590 40.800 -0.277 0.000 1.174 2081 D HN 0.782 nan 8.370 nan 0.000 0.443 2082 I N -2.549 117.733 120.570 -0.481 0.000 2.750 2082 I HA 0.508 4.679 4.170 0.001 0.000 0.308 2082 I C -0.429 175.221 176.117 -0.778 0.000 1.016 2082 I CA -0.949 60.058 61.300 -0.489 0.000 1.098 2082 I CB 1.965 39.850 38.000 -0.191 0.000 1.279 2082 I HN 0.313 nan 8.210 nan 0.000 0.454 2083 H N 0.500 119.513 119.070 -0.095 0.000 3.255 2083 H HA 0.447 5.003 4.556 0.001 0.000 0.256 2083 H C -0.566 174.738 175.328 -0.041 0.000 1.049 2083 H CA -0.216 55.794 56.048 -0.063 0.000 1.202 2083 H CB 0.766 30.496 29.762 -0.053 0.000 1.497 2083 H HN 0.592 nan 8.280 nan 0.000 0.503 2084 E N -0.276 119.897 120.200 -0.044 0.000 2.356 2084 E HA 0.268 4.618 4.350 0.001 0.000 0.275 2084 E C 0.058 176.565 176.600 -0.154 0.000 0.904 2084 E CA -0.303 56.082 56.400 -0.026 0.000 0.757 2084 E CB 2.464 32.242 29.700 0.130 0.000 1.232 2084 E HN -0.023 nan 8.360 nan 0.000 0.442 2085 S N 1.637 117.341 115.700 0.006 0.000 2.380 2085 S HA -0.190 4.281 4.470 0.001 0.000 0.229 2085 S C 1.567 176.187 174.600 0.034 0.000 1.043 2085 S CA 1.888 60.104 58.200 0.028 0.000 1.038 2085 S CB -0.276 62.982 63.200 0.098 0.000 0.872 2085 S HN 0.741 nan 8.310 nan 0.000 0.456 2086 W N 1.872 123.205 121.300 0.056 0.000 2.421 2086 W HA -0.085 4.576 4.660 0.001 0.000 0.270 2086 W C 1.173 177.721 176.519 0.048 0.000 1.233 2086 W CA 0.776 58.149 57.345 0.046 0.000 1.226 2086 W CB -0.837 28.648 29.460 0.042 0.000 1.121 2086 W HN 0.416 nan 8.180 nan 0.000 0.579 2087 Q N 0.855 120.227 119.800 -0.714 0.000 2.378 2087 Q HA 0.032 4.372 4.340 0.001 0.000 0.205 2087 Q C 2.649 178.507 176.000 -0.236 0.000 0.954 2087 Q CA 1.127 56.523 55.803 -0.679 0.000 0.901 2087 Q CB -0.250 28.016 28.738 -0.787 0.000 0.981 2087 Q HN 0.319 nan 8.270 nan 0.000 0.483 2088 A N 1.865 124.606 122.820 -0.132 0.000 1.883 2088 A HA -0.282 4.039 4.320 0.001 0.000 0.217 2088 A C 1.997 179.571 177.584 -0.017 0.000 1.186 2088 A CA 1.717 53.722 52.037 -0.052 0.000 0.624 2088 A CB -0.512 18.475 19.000 -0.022 0.000 0.822 2088 A HN 0.444 nan 8.150 nan 0.000 0.444 2089 E N -0.244 119.963 120.200 0.012 0.000 2.023 2089 E HA -0.168 4.183 4.350 0.001 0.000 0.196 2089 E C -0.496 176.115 176.600 0.019 0.000 1.003 2089 E CA 1.575 57.993 56.400 0.029 0.000 0.809 2089 E CB -0.658 29.077 29.700 0.059 0.000 0.755 2089 E HN 0.493 nan 8.360 nan 0.000 0.449 2090 P HA -0.109 nan 4.420 nan 0.000 0.218 2090 P C 1.636 178.916 177.300 -0.035 0.000 1.149 2090 P CA 0.966 64.067 63.100 0.002 0.000 0.817 2090 P CB 0.030 31.743 31.700 0.022 0.000 0.785 2091 V N 0.880 120.761 119.914 -0.055 0.000 2.453 2091 V HA -0.144 3.976 4.120 0.001 0.000 0.247 2091 V C 2.788 178.886 176.094 0.006 0.000 1.048 2091 V CA 1.856 64.136 62.300 -0.033 0.000 1.049 2091 V CB -1.573 30.252 31.823 0.002 0.000 0.672 2091 V HN 0.091 nan 8.190 nan 0.000 0.457 2092 A N -0.351 122.473 122.820 0.007 0.000 2.125 2092 A HA -0.186 4.135 4.320 0.001 0.000 0.219 2092 A C 2.075 179.670 177.584 0.018 0.000 1.156 2092 A CA 1.335 53.382 52.037 0.017 0.000 0.671 2092 A CB -0.335 18.675 19.000 0.017 0.000 0.794 2092 A HN 0.561 nan 8.150 nan 0.000 0.459 2093 E N -0.360 119.846 120.200 0.011 0.000 2.160 2093 E HA -0.121 4.230 4.350 0.001 0.000 0.195 2093 E C 1.702 178.310 176.600 0.013 0.000 0.991 2093 E CA 1.639 58.044 56.400 0.009 0.000 0.810 2093 E CB -0.207 29.494 29.700 0.002 0.000 0.742 2093 E HN 0.508 nan 8.360 nan 0.000 0.466 2094 V N -0.104 119.822 119.914 0.019 0.000 3.371 2094 V HA 0.226 4.346 4.120 0.001 0.000 0.246 2094 V C 0.848 176.970 176.094 0.047 0.000 1.303 2094 V CA 0.401 62.718 62.300 0.029 0.000 1.156 2094 V CB 0.282 32.122 31.823 0.028 0.000 0.929 2094 V HN 0.075 nan 8.190 nan 0.000 0.459 2095 A N 0.956 123.807 122.820 0.052 0.000 2.444 2095 A HA 0.150 4.470 4.320 0.001 0.000 0.273 2095 A C 0.972 178.588 177.584 0.053 0.000 1.136 2095 A CA 0.094 52.168 52.037 0.063 0.000 0.799 2095 A CB -0.182 18.857 19.000 0.066 0.000 1.081 2095 A HN 0.419 nan 8.150 nan 0.000 0.509 2096 D N 1.745 122.180 120.400 0.058 0.000 2.194 2096 D HA 0.043 4.684 4.640 0.001 0.000 0.204 2096 D C 0.222 176.556 176.300 0.056 0.000 0.964 2096 D CA 1.396 55.429 54.000 0.056 0.000 0.846 2096 D CB 0.253 41.089 40.800 0.059 0.000 0.962 2096 D HN 0.590 nan 8.370 nan 0.000 0.490 2097 I N 1.471 122.068 120.570 0.046 0.000 2.499 2097 I HA 0.271 4.442 4.170 0.001 0.000 0.288 2097 I C -0.432 175.703 176.117 0.031 0.000 1.048 2097 I CA -0.612 60.711 61.300 0.037 0.000 1.062 2097 I CB 2.734 40.723 38.000 -0.017 0.000 1.238 2097 I HN -0.309 nan 8.210 nan 0.000 0.426 2098 I N 5.663 126.252 120.570 0.031 0.000 2.325 2098 I HA 0.224 4.394 4.170 0.001 0.000 0.291 2098 I C 0.124 176.235 176.117 -0.010 0.000 1.019 2098 I CA -0.269 61.039 61.300 0.012 0.000 1.302 2098 I CB 1.334 39.339 38.000 0.008 0.000 1.401 2098 I HN 0.596 nan 8.210 nan 0.000 0.485 2099 Q N 6.442 126.220 119.800 -0.036 0.000 2.256 2099 Q HA 0.414 4.755 4.340 0.001 0.000 0.254 2099 Q C -1.116 174.815 176.000 -0.116 0.000 0.916 2099 Q CA -0.701 55.060 55.803 -0.071 0.000 0.932 2099 Q CB 1.392 30.092 28.738 -0.063 0.000 1.207 2099 Q HN 0.476 nan 8.270 nan 0.000 0.426 2100 I N 6.458 126.961 120.570 -0.110 0.000 2.339 2100 I HA 0.349 4.520 4.170 0.001 0.000 0.290 2100 I C -2.195 173.841 176.117 -0.136 0.000 0.994 2100 I CA -2.654 58.578 61.300 -0.113 0.000 1.191 2100 I CB 0.939 38.900 38.000 -0.065 0.000 1.343 2100 I HN 0.527 nan 8.210 nan 0.000 0.458 2101 P HA 0.076 nan 4.420 nan 0.000 0.267 2101 P C 0.626 177.847 177.300 -0.131 0.000 1.200 2101 P CA 0.071 63.082 63.100 -0.147 0.000 0.772 2101 P CB 0.907 32.561 31.700 -0.078 0.000 0.855 2102 A N 2.455 125.134 122.820 -0.234 0.000 1.883 2102 A HA -0.220 4.101 4.320 0.001 0.000 0.217 2102 A C 1.675 179.271 177.584 0.020 0.000 1.186 2102 A CA 1.777 53.683 52.037 -0.218 0.000 0.624 2102 A CB -1.643 17.148 19.000 -0.350 0.000 0.822 2102 A HN 0.506 nan 8.150 nan 0.000 0.444 2103 F N -0.221 119.774 119.950 0.075 0.000 2.333 2103 F HA 0.006 4.534 4.527 0.001 0.000 0.300 2103 F C 1.628 177.557 175.800 0.215 0.000 1.083 2103 F CA 0.412 58.550 58.000 0.230 0.000 1.395 2103 F CB -0.595 38.492 39.000 0.145 0.000 1.056 2103 F HN 0.107 nan 8.300 nan 0.000 0.529 2104 L N -0.443 120.948 121.223 0.279 0.000 2.667 2104 L HA 0.084 4.424 4.340 0.001 0.000 0.232 2104 L C 1.965 178.911 176.870 0.127 0.000 1.138 2104 L CA -0.028 54.918 54.840 0.178 0.000 0.921 2104 L CB -0.760 41.364 42.059 0.108 0.000 1.180 2104 L HN 0.247 nan 8.230 nan 0.000 0.487 2105 C N -1.223 118.157 119.300 0.133 0.000 2.430 2105 C HA 0.000 4.461 4.460 0.001 0.000 0.288 2105 C C 2.219 177.265 174.990 0.093 0.000 1.448 2105 C CA -0.030 59.028 59.018 0.066 0.000 1.784 2105 C CB -0.808 26.924 27.740 -0.013 0.000 1.776 2105 C HN 0.446 nan 8.230 nan 0.000 0.547 2106 R N -0.024 120.568 120.500 0.153 0.000 2.397 2106 R HA 0.172 4.513 4.340 0.001 0.000 0.241 2106 R C 0.167 176.506 176.300 0.066 0.000 0.914 2106 R CA 0.121 56.288 56.100 0.111 0.000 1.071 2106 R CB -0.139 30.248 30.300 0.144 0.000 1.116 2106 R HN 0.593 nan 8.270 nan 0.000 0.524 2107 Q N 1.291 121.132 119.800 0.068 0.000 2.381 2107 Q HA 0.085 4.426 4.340 0.001 0.000 0.243 2107 Q C 0.797 176.821 176.000 0.039 0.000 1.154 2107 Q CA 0.226 56.058 55.803 0.049 0.000 0.899 2107 Q CB 0.816 29.587 28.738 0.056 0.000 1.396 2107 Q HN 0.034 nan 8.270 nan 0.000 0.485 2108 T N 1.599 116.171 114.554 0.030 0.000 2.653 2108 T HA -0.187 4.164 4.350 0.001 0.000 0.268 2108 T C 0.896 175.621 174.700 0.043 0.000 1.035 2108 T CA 1.800 63.917 62.100 0.029 0.000 1.154 2108 T CB 0.084 68.960 68.868 0.013 0.000 0.862 2108 T HN 0.488 nan 8.240 nan 0.000 0.441 2109 D N 0.591 121.018 120.400 0.045 0.000 2.178 2109 D HA -0.015 4.626 4.640 0.001 0.000 0.202 2109 D C 2.023 178.353 176.300 0.048 0.000 0.974 2109 D CA 0.467 54.500 54.000 0.054 0.000 0.841 2109 D CB -0.383 40.452 40.800 0.058 0.000 0.953 2109 D HN 0.198 nan 8.370 nan 0.000 0.478 2110 L N 0.563 121.809 121.223 0.039 0.000 2.056 2110 L HA -0.069 4.272 4.340 0.001 0.000 0.207 2110 L C 2.203 179.083 176.870 0.016 0.000 1.078 2110 L CA 1.237 56.089 54.840 0.020 0.000 0.749 2110 L CB -0.468 41.599 42.059 0.012 0.000 0.901 2110 L HN -0.024 nan 8.230 nan 0.000 0.433 2111 L N -1.351 119.888 121.223 0.026 0.000 2.017 2111 L HA -0.245 4.095 4.340 0.001 0.000 0.208 2111 L C 2.478 179.374 176.870 0.044 0.000 1.073 2111 L CA 1.306 56.164 54.840 0.030 0.000 0.745 2111 L CB -0.600 41.480 42.059 0.035 0.000 0.894 2111 L HN 0.277 nan 8.230 nan 0.000 0.432 2112 L N -0.533 120.726 121.223 0.060 0.000 2.093 2112 L HA -0.174 4.166 4.340 0.001 0.000 0.208 2112 L C 2.869 179.769 176.870 0.051 0.000 1.085 2112 L CA 1.063 55.948 54.840 0.075 0.000 0.755 2112 L CB -0.731 41.390 42.059 0.104 0.000 0.904 2112 L HN 0.245 nan 8.230 nan 0.000 0.435 2113 A N 0.044 122.890 122.820 0.043 0.000 1.933 2113 A HA -0.141 4.179 4.320 0.001 0.000 0.218 2113 A C 2.519 180.115 177.584 0.020 0.000 1.175 2113 A CA 1.682 53.739 52.037 0.033 0.000 0.628 2113 A CB -0.577 18.441 19.000 0.030 0.000 0.814 2113 A HN 0.401 nan 8.150 nan 0.000 0.444 2114 A N -0.182 122.646 122.820 0.014 0.000 1.898 2114 A HA 0.231 4.552 4.320 0.001 0.000 0.216 2114 A C 2.491 180.087 177.584 0.019 0.000 1.181 2114 A CA 1.857 53.900 52.037 0.010 0.000 0.620 2114 A CB -0.974 18.029 19.000 0.004 0.000 0.819 2114 A HN 1.018 nan 8.150 nan 0.000 0.442 2115 A N -0.102 122.732 122.820 0.024 0.000 1.933 2115 A HA -0.161 4.160 4.320 0.001 0.000 0.218 2115 A C 2.113 179.704 177.584 0.011 0.000 1.175 2115 A CA 1.935 53.985 52.037 0.022 0.000 0.628 2115 A CB -0.450 18.567 19.000 0.028 0.000 0.814 2115 A HN 0.557 nan 8.150 nan 0.000 0.444 2116 K N 0.055 120.462 120.400 0.012 0.000 2.147 2116 K HA -0.158 4.163 4.320 0.001 0.000 0.205 2116 K C 1.934 178.539 176.600 0.008 0.000 1.049 2116 K CA 1.885 58.175 56.287 0.005 0.000 0.936 2116 K CB -0.366 32.141 32.500 0.013 0.000 0.722 2116 K HN 0.613 nan 8.250 nan 0.000 0.446 2117 T N -2.934 111.628 114.554 0.014 0.000 2.977 2117 T HA 0.014 4.365 4.350 0.001 0.000 0.271 2117 T C 1.460 176.169 174.700 0.015 0.000 1.105 2117 T CA 1.113 63.222 62.100 0.016 0.000 1.116 2117 T CB -0.391 68.487 68.868 0.017 0.000 0.878 2117 T HN 0.459 nan 8.240 nan 0.000 0.509 2118 G N 1.220 110.028 108.800 0.014 0.000 2.179 2118 G HA2 -0.245 3.716 3.960 0.001 0.000 0.260 2118 G HA3 -0.245 3.716 3.960 0.001 0.000 0.260 2118 G C 0.338 175.252 174.900 0.024 0.000 0.977 2118 G CA 0.053 45.162 45.100 0.015 0.000 0.641 2118 G HN 0.636 nan 8.290 nan 0.000 0.533 2119 R N 0.485 121.003 120.500 0.030 0.000 2.580 2119 R HA 0.746 5.087 4.340 0.001 0.000 0.267 2119 R C 0.845 177.178 176.300 0.056 0.000 1.125 2119 R CA 0.163 56.288 56.100 0.043 0.000 1.188 2119 R CB 0.132 30.456 30.300 0.041 0.000 1.155 2119 R HN 0.659 nan 8.270 nan 0.000 0.586 2120 A N 0.660 123.530 122.820 0.083 0.000 2.351 2120 A HA 0.437 4.758 4.320 0.001 0.000 0.257 2120 A C -0.349 177.309 177.584 0.124 0.000 1.087 2120 A CA -0.402 51.712 52.037 0.128 0.000 0.798 2120 A CB 0.602 19.734 19.000 0.221 0.000 1.033 2120 A HN 0.319 nan 8.150 nan 0.000 0.488 2121 V N 2.424 122.426 119.914 0.146 0.000 2.540 2121 V HA 0.364 4.485 4.120 0.001 0.000 0.302 2121 V C -0.040 176.158 176.094 0.173 0.000 1.035 2121 V CA -0.740 61.627 62.300 0.112 0.000 0.873 2121 V CB 1.645 33.507 31.823 0.065 0.000 0.992 2121 V HN 0.968 nan 8.190 nan 0.000 0.428 2122 N N 3.403 122.162 118.700 0.097 0.000 2.479 2122 N HA 0.538 5.279 4.740 0.001 0.000 0.261 2122 N C -1.357 174.144 175.510 -0.015 0.000 0.979 2122 N CA -0.392 52.700 53.050 0.070 0.000 0.930 2122 N CB 1.760 40.218 38.487 -0.049 0.000 1.172 2122 N HN 0.452 nan 8.380 nan 0.000 0.499 2123 V N 3.870 123.779 119.914 -0.009 0.000 2.383 2123 V HA 0.266 4.387 4.120 0.001 0.000 0.275 2123 V C 0.202 176.225 176.094 -0.118 0.000 1.036 2123 V CA -0.740 61.525 62.300 -0.058 0.000 0.889 2123 V CB 1.161 32.968 31.823 -0.028 0.000 0.985 2123 V HN 0.564 nan 8.190 nan 0.000 0.459 2124 K N 3.873 124.165 120.400 -0.180 0.000 2.339 2124 K HA 0.188 4.508 4.320 0.001 0.000 0.286 2124 K C 0.077 176.546 176.600 -0.218 0.000 1.050 2124 K CA -0.244 55.893 56.287 -0.251 0.000 0.956 2124 K CB 0.770 33.082 32.500 -0.312 0.000 0.990 2124 K HN 0.622 nan 8.250 nan 0.000 0.475 2125 K N 1.819 122.086 120.400 -0.220 0.000 2.402 2125 K HA 0.074 4.395 4.320 0.001 0.000 0.285 2125 K C 0.317 176.715 176.600 -0.337 0.000 1.054 2125 K CA -0.096 56.050 56.287 -0.235 0.000 1.001 2125 K CB 0.342 32.723 32.500 -0.199 0.000 0.946 2125 K HN 0.699 nan 8.250 nan 0.000 0.473 2126 G N 3.294 111.805 108.800 -0.481 0.000 2.391 2126 G HA2 -0.112 3.848 3.960 0.001 0.000 0.234 2126 G HA3 -0.112 3.848 3.960 0.001 0.000 0.234 2126 G C 0.194 174.646 174.900 -0.747 0.000 1.284 2126 G CA -0.391 44.202 45.100 -0.846 0.000 0.873 2126 G HN 0.813 nan 8.290 nan 0.000 0.549 2127 Q N 0.709 120.234 119.800 -0.459 0.000 2.439 2127 Q HA -0.046 4.295 4.340 0.001 0.000 0.211 2127 Q C 1.638 177.572 176.000 -0.110 0.000 0.978 2127 Q CA 1.325 57.024 55.803 -0.174 0.000 0.897 2127 Q CB -0.174 28.598 28.738 0.057 0.000 0.956 2127 Q HN 0.827 nan 8.270 nan 0.000 0.483 2128 F N -2.961 117.004 119.950 0.026 0.000 2.695 2128 F HA 0.355 4.883 4.527 0.001 0.000 0.303 2128 F C 0.199 175.981 175.800 -0.031 0.000 1.091 2128 F CA -0.841 57.161 58.000 0.005 0.000 1.300 2128 F CB 0.025 39.034 39.000 0.015 0.000 1.071 2128 F HN -0.137 nan 8.300 nan 0.000 0.578 2129 L N 1.837 122.905 121.223 -0.257 0.000 2.334 2129 L HA 0.716 5.056 4.340 0.001 0.000 0.277 2129 L C 0.281 177.008 176.870 -0.239 0.000 1.075 2129 L CA -1.122 53.613 54.840 -0.175 0.000 0.804 2129 L CB 1.125 43.021 42.059 -0.272 0.000 1.174 2129 L HN 0.224 nan 8.230 nan 0.000 0.438 2130 A N 5.423 128.057 122.820 -0.309 0.000 2.302 2130 A HA 0.577 4.898 4.320 0.001 0.000 0.285 2130 A C -1.834 175.320 177.584 -0.715 0.000 1.105 2130 A CA -1.155 50.486 52.037 -0.661 0.000 0.816 2130 A CB 0.021 18.453 19.000 -0.947 0.000 1.067 2130 A HN 0.729 nan 8.150 nan 0.000 0.489 2131 P HA -0.189 nan 4.420 nan 0.000 0.215 2131 P C 0.965 178.255 177.300 -0.017 0.000 1.157 2131 P CA 2.205 65.100 63.100 -0.342 0.000 0.874 2131 P CB -0.130 31.411 31.700 -0.266 0.000 0.790 2132 W N -0.517 120.925 121.300 0.236 0.000 2.525 2132 W HA 0.000 4.661 4.660 0.001 0.000 0.259 2132 W C 0.999 177.565 176.519 0.077 0.000 1.253 2132 W CA 0.576 58.109 57.345 0.313 0.000 1.262 2132 W CB -1.845 27.747 29.460 0.221 0.000 1.122 2132 W HN -0.113 nan 8.180 nan 0.000 0.607 2133 D N 0.947 121.339 120.400 -0.012 0.000 2.310 2133 D HA -0.138 4.502 4.640 0.001 0.000 0.212 2133 D C 2.142 178.390 176.300 -0.087 0.000 0.965 2133 D CA 2.064 56.054 54.000 -0.017 0.000 0.879 2133 D CB -0.571 40.200 40.800 -0.049 0.000 0.921 2133 D HN 0.398 nan 8.370 nan 0.000 0.510 2134 T N -1.845 112.674 114.554 -0.059 0.000 3.072 2134 T HA -0.053 4.298 4.350 0.001 0.000 0.266 2134 T C 1.711 176.177 174.700 -0.390 0.000 1.127 2134 T CA 0.502 62.559 62.100 -0.072 0.000 1.107 2134 T CB 0.137 69.101 68.868 0.160 0.000 0.910 2134 T HN 0.067 nan 8.240 nan 0.000 0.513 2135 K N 1.565 121.430 120.400 -0.891 0.000 2.063 2135 K HA -0.128 4.193 4.320 0.001 0.000 0.208 2135 K C 2.094 178.331 176.600 -0.605 0.000 1.048 2135 K CA 1.700 57.129 56.287 -1.430 0.000 0.928 2135 K CB -0.343 31.214 32.500 -1.572 0.000 0.713 2135 K HN 0.518 nan 8.250 nan 0.000 0.442 2136 N N -0.265 118.215 118.700 -0.366 0.000 2.244 2136 N HA -0.127 4.613 4.740 0.001 0.000 0.183 2136 N C 1.651 177.076 175.510 -0.141 0.000 1.016 2136 N CA 0.828 53.758 53.050 -0.201 0.000 0.866 2136 N CB 0.159 38.569 38.487 -0.130 0.000 0.980 2136 N HN -0.027 nan 8.380 nan 0.000 0.430 2137 V N 0.625 120.457 119.914 -0.136 0.000 2.307 2137 V HA -0.177 3.944 4.120 0.001 0.000 0.245 2137 V C 2.234 178.296 176.094 -0.053 0.000 1.045 2137 V CA 1.270 63.529 62.300 -0.068 0.000 1.024 2137 V CB -0.401 31.394 31.823 -0.047 0.000 0.651 2137 V HN 0.132 nan 8.190 nan 0.000 0.449 2138 V N 0.070 119.932 119.914 -0.087 0.000 2.343 2138 V HA -0.307 3.813 4.120 0.001 0.000 0.247 2138 V C 2.478 178.560 176.094 -0.020 0.000 1.051 2138 V CA 2.376 64.656 62.300 -0.033 0.000 1.036 2138 V CB -0.591 31.221 31.823 -0.019 0.000 0.654 2138 V HN 0.694 nan 8.190 nan 0.000 0.451 2139 E N 0.175 120.339 120.200 -0.061 0.000 2.110 2139 E HA -0.263 4.087 4.350 0.001 0.000 0.193 2139 E C 2.254 178.878 176.600 0.041 0.000 0.988 2139 E CA 1.380 57.769 56.400 -0.018 0.000 0.804 2139 E CB -0.037 29.626 29.700 -0.062 0.000 0.745 2139 E HN 0.586 nan 8.360 nan 0.000 0.458 2140 K N 0.176 120.586 120.400 0.017 0.000 2.026 2140 K HA -0.129 4.191 4.320 0.001 0.000 0.208 2140 K C 2.304 178.984 176.600 0.133 0.000 1.048 2140 K CA 1.287 57.612 56.287 0.064 0.000 0.929 2140 K CB -0.133 32.380 32.500 0.023 0.000 0.713 2140 K HN 0.212 nan 8.250 nan 0.000 0.439 2141 L N 1.103 122.372 121.223 0.077 0.000 2.046 2141 L HA -0.199 4.142 4.340 0.001 0.000 0.208 2141 L C 2.335 179.249 176.870 0.072 0.000 1.077 2141 L CA 1.364 56.246 54.840 0.070 0.000 0.747 2141 L CB -0.322 41.763 42.059 0.044 0.000 0.896 2141 L HN 0.141 nan 8.230 nan 0.000 0.432 2142 K N -0.513 119.932 120.400 0.076 0.000 2.057 2142 K HA -0.201 4.120 4.320 0.001 0.000 0.207 2142 K C 2.077 178.725 176.600 0.080 0.000 1.049 2142 K CA 1.463 57.788 56.287 0.063 0.000 0.931 2142 K CB -0.265 32.272 32.500 0.061 0.000 0.714 2142 K HN 0.113 nan 8.250 nan 0.000 0.440 2143 F N 1.181 121.128 119.950 -0.006 0.000 2.216 2143 F HA -0.082 4.445 4.527 0.001 0.000 0.300 2143 F C 1.774 177.574 175.800 0.001 0.000 1.085 2143 F CA 1.519 59.517 58.000 -0.003 0.000 1.326 2143 F CB -0.275 38.721 39.000 -0.006 0.000 1.027 2143 F HN -0.043 nan 8.300 nan 0.000 0.497 2144 G N -1.093 107.726 108.800 0.031 0.000 2.920 2144 G HA2 0.296 4.256 3.960 0.001 0.000 0.208 2144 G HA3 0.296 4.256 3.960 0.001 0.000 0.208 2144 G C 1.295 176.148 174.900 -0.080 0.000 1.159 2144 G CA 0.306 45.379 45.100 -0.046 0.000 0.784 2144 G HN 0.961 nan 8.290 nan 0.000 0.535 2145 G N -1.407 107.344 108.800 -0.081 0.000 2.176 2145 G HA2 0.118 4.079 3.960 0.001 0.000 0.232 2145 G HA3 0.118 4.079 3.960 0.001 0.000 0.232 2145 G C 0.511 175.399 174.900 -0.021 0.000 0.986 2145 G CA 0.119 45.183 45.100 -0.060 0.000 0.643 2145 G HN 1.307 nan 8.290 nan 0.000 0.522 2146 A N -0.107 122.712 122.820 -0.002 0.000 2.450 2146 A HA 0.701 5.021 4.320 0.001 0.000 0.255 2146 A C 1.111 178.697 177.584 0.003 0.000 1.096 2146 A CA 1.124 53.166 52.037 0.009 0.000 0.778 2146 A CB 0.402 19.416 19.000 0.023 0.000 1.031 2146 A HN 0.412 nan 8.150 nan 0.000 0.494 2147 K N 0.785 121.186 120.400 0.001 0.000 2.387 2147 K HA 0.103 4.424 4.320 0.001 0.000 0.197 2147 K C 0.294 176.877 176.600 -0.029 0.000 1.127 2147 K CA 0.371 56.653 56.287 -0.009 0.000 0.950 2147 K CB 0.571 33.069 32.500 -0.004 0.000 1.017 2147 K HN 0.794 nan 8.250 nan 0.000 0.519 2148 E N 1.949 122.134 120.200 -0.025 0.000 2.101 2148 E HA 0.290 4.641 4.350 0.001 0.000 0.260 2148 E C -1.273 175.270 176.600 -0.095 0.000 0.897 2148 E CA -0.245 56.107 56.400 -0.081 0.000 0.744 2148 E CB 0.603 30.307 29.700 0.008 0.000 1.140 2148 E HN 0.080 nan 8.360 nan 0.000 0.419 2149 I N 4.541 124.985 120.570 -0.210 0.000 2.465 2149 I HA 0.346 4.516 4.170 0.001 0.000 0.291 2149 I C -1.072 174.889 176.117 -0.260 0.000 1.014 2149 I CA -0.865 60.363 61.300 -0.120 0.000 1.093 2149 I CB 1.093 39.074 38.000 -0.032 0.000 1.267 2149 I HN 0.473 nan 8.210 nan 0.000 0.431 2150 Y N 5.626 125.930 120.300 0.006 0.000 2.524 2150 Y HA 0.678 5.229 4.550 0.001 0.000 0.344 2150 Y C -0.471 175.419 175.900 -0.016 0.000 1.012 2150 Y CA -0.876 57.219 58.100 -0.009 0.000 1.068 2150 Y CB 1.855 40.297 38.460 -0.030 0.000 1.249 2150 Y HN 0.278 nan 8.280 nan 0.000 0.468 2151 L N 2.187 123.497 121.223 0.145 0.000 2.362 2151 L HA 0.608 4.949 4.340 0.001 0.000 0.275 2151 L C -0.726 176.147 176.870 0.005 0.000 0.998 2151 L CA -0.563 54.313 54.840 0.059 0.000 0.820 2151 L CB 2.185 44.292 42.059 0.080 0.000 1.270 2151 L HN 0.643 nan 8.230 nan 0.000 0.415 2152 T N 1.117 115.621 114.554 -0.083 0.000 2.779 2152 T HA 0.246 4.597 4.350 0.001 0.000 0.280 2152 T C -0.401 174.192 174.700 -0.179 0.000 0.987 2152 T CA -0.466 61.540 62.100 -0.157 0.000 0.966 2152 T CB 1.634 70.315 68.868 -0.312 0.000 0.933 2152 T HN 0.415 nan 8.240 nan 0.000 0.442 2153 E N 2.596 122.718 120.200 -0.131 0.000 2.259 2153 E HA 0.292 4.643 4.350 0.001 0.000 0.281 2153 E C 0.462 176.931 176.600 -0.219 0.000 1.037 2153 E CA -0.523 55.800 56.400 -0.128 0.000 0.854 2153 E CB 0.449 30.140 29.700 -0.014 0.000 1.051 2153 E HN 0.629 nan 8.360 nan 0.000 0.409 2154 R N 3.046 123.405 120.500 -0.236 0.000 2.615 2154 R HA 0.488 4.829 4.340 0.001 0.000 0.448 2154 R C 0.137 176.324 176.300 -0.190 0.000 1.009 2154 R CA -0.171 55.770 56.100 -0.264 0.000 1.111 2154 R CB 0.066 30.180 30.300 -0.310 0.000 1.461 2154 R HN 0.657 nan 8.270 nan 0.000 0.587 2155 G N 0.051 108.752 108.800 -0.165 0.000 2.699 2155 G HA2 -0.045 3.915 3.960 0.001 0.000 0.686 2155 G HA3 -0.045 3.915 3.960 0.001 0.000 0.686 2155 G C -0.845 173.979 174.900 -0.126 0.000 1.301 2155 G CA -0.428 44.592 45.100 -0.134 0.000 0.816 2155 G HN 0.211 nan 8.290 nan 0.000 0.595 2156 T N 0.823 115.320 114.554 -0.094 0.000 2.893 2156 T HA 0.659 5.010 4.350 0.001 0.000 0.291 2156 T C 0.433 175.150 174.700 0.029 0.000 1.028 2156 T CA -0.047 62.017 62.100 -0.061 0.000 0.995 2156 T CB 1.723 70.539 68.868 -0.086 0.000 1.051 2156 T HN 0.886 nan 8.240 nan 0.000 0.470 2157 T N 2.894 117.487 114.554 0.065 0.000 2.866 2157 T HA 0.165 4.516 4.350 0.001 0.000 0.293 2157 T C -0.769 174.037 174.700 0.178 0.000 1.005 2157 T CA 0.527 62.698 62.100 0.118 0.000 1.162 2157 T CB -0.434 68.505 68.868 0.118 0.000 0.968 2157 T HN 0.424 nan 8.240 nan 0.000 0.530 2158 F N 3.945 123.883 119.950 -0.019 0.000 2.691 2158 F HA 0.521 5.049 4.527 0.001 0.000 0.371 2158 F C 0.672 176.435 175.800 -0.062 0.000 1.159 2158 F CA 0.031 58.006 58.000 -0.042 0.000 1.174 2158 F CB -0.080 38.898 39.000 -0.036 0.000 1.419 2158 F HN 0.926 nan 8.300 nan 0.000 0.514 2159 G N 2.971 111.544 108.800 -0.378 0.000 2.598 2159 G HA2 -0.289 3.671 3.960 0.001 0.000 0.244 2159 G HA3 -0.289 3.671 3.960 0.001 0.000 0.244 2159 G C -1.314 173.408 174.900 -0.296 0.000 1.302 2159 G CA -0.281 44.521 45.100 -0.496 0.000 0.903 2159 G HN 0.529 nan 8.290 nan 0.000 0.575 2160 Y N 1.544 121.804 120.300 -0.066 0.000 2.334 2160 Y HA 0.487 5.038 4.550 0.001 0.000 0.328 2160 Y C 1.428 177.335 175.900 0.010 0.000 1.130 2160 Y CA -0.526 57.565 58.100 -0.016 0.000 1.163 2160 Y CB 1.008 39.457 38.460 -0.019 0.000 1.207 2160 Y HN 0.649 nan 8.280 nan 0.000 0.471 2161 N N 1.789 120.618 118.700 0.215 0.000 2.727 2161 N HA -0.323 4.418 4.740 0.001 0.000 0.249 2161 N C -0.833 174.753 175.510 0.127 0.000 1.048 2161 N CA 1.021 54.156 53.050 0.142 0.000 0.714 2161 N CB -1.111 37.444 38.487 0.114 0.000 0.959 2161 N HN 0.893 nan 8.380 nan 0.000 0.544 2162 N N -0.355 118.426 118.700 0.135 0.000 2.367 2162 N HA 0.525 5.265 4.740 0.001 0.000 0.278 2162 N C -1.501 174.105 175.510 0.160 0.000 1.117 2162 N CA -0.542 52.596 53.050 0.146 0.000 0.867 2162 N CB 1.568 40.161 38.487 0.178 0.000 1.649 2162 N HN -0.016 nan 8.380 nan 0.000 0.479 2163 L N 2.308 123.603 121.223 0.120 0.000 2.362 2163 L HA 0.672 5.013 4.340 0.001 0.000 0.271 2163 L C -0.736 176.139 176.870 0.008 0.000 1.002 2163 L CA -1.006 53.878 54.840 0.074 0.000 0.818 2163 L CB 2.030 44.105 42.059 0.026 0.000 1.298 2163 L HN 0.277 nan 8.230 nan 0.000 0.420 2164 V N 3.461 123.335 119.914 -0.067 0.000 2.680 2164 V HA 0.534 4.655 4.120 0.001 0.000 0.309 2164 V C -0.650 175.323 176.094 -0.201 0.000 1.052 2164 V CA -0.486 61.681 62.300 -0.222 0.000 0.908 2164 V CB 2.520 34.018 31.823 -0.542 0.000 1.001 2164 V HN 0.417 nan 8.190 nan 0.000 0.431 2165 V N 5.363 125.147 119.914 -0.217 0.000 2.333 2165 V HA 0.358 4.479 4.120 0.001 0.000 0.274 2165 V C -0.228 175.640 176.094 -0.376 0.000 1.028 2165 V CA -0.436 61.661 62.300 -0.337 0.000 0.851 2165 V CB 1.333 32.878 31.823 -0.462 0.000 1.000 2165 V HN 0.914 nan 8.190 nan 0.000 0.456 2166 D N 4.137 124.342 120.400 -0.324 0.000 2.441 2166 D HA 0.240 4.880 4.640 0.001 0.000 0.221 2166 D C 0.716 176.881 176.300 -0.226 0.000 1.156 2166 D CA -0.384 53.497 54.000 -0.197 0.000 0.896 2166 D CB 0.573 41.286 40.800 -0.145 0.000 1.028 2166 D HN 0.396 nan 8.370 nan 0.000 0.509 2167 F N 1.943 121.840 119.950 -0.088 0.000 2.583 2167 F HA -0.026 4.502 4.527 0.001 0.000 0.297 2167 F C 2.251 178.008 175.800 -0.072 0.000 1.131 2167 F CA 0.495 58.439 58.000 -0.094 0.000 1.467 2167 F CB 0.013 38.943 39.000 -0.118 0.000 1.097 2167 F HN 0.284 nan 8.300 nan 0.000 0.586 2168 R N -0.203 120.339 120.500 0.070 0.000 2.193 2168 R HA -0.135 4.206 4.340 0.001 0.000 0.229 2168 R C 2.480 178.788 176.300 0.013 0.000 1.110 2168 R CA 1.265 57.397 56.100 0.052 0.000 0.988 2168 R CB -0.524 29.817 30.300 0.068 0.000 0.871 2168 R HN 0.361 nan 8.270 nan 0.000 0.458 2169 S N 0.651 116.324 115.700 -0.044 0.000 2.399 2169 S HA -0.122 4.348 4.470 0.001 0.000 0.231 2169 S C 1.860 176.418 174.600 -0.069 0.000 1.022 2169 S CA 0.765 58.919 58.200 -0.077 0.000 0.983 2169 S CB -0.171 62.946 63.200 -0.137 0.000 0.803 2169 S HN 0.059 nan 8.310 nan 0.000 0.480 2170 L N 2.862 124.055 121.223 -0.051 0.000 1.970 2170 L HA 0.023 4.364 4.340 0.001 0.000 0.212 2170 L C -0.337 176.478 176.870 -0.092 0.000 1.071 2170 L CA 2.007 56.816 54.840 -0.052 0.000 0.751 2170 L CB -1.725 40.329 42.059 -0.008 0.000 0.889 2170 L HN 0.278 nan 8.230 nan 0.000 0.432 2171 P HA -0.145 nan 4.420 nan 0.000 0.218 2171 P C 2.069 179.272 177.300 -0.162 0.000 1.149 2171 P CA 1.563 64.601 63.100 -0.102 0.000 0.817 2171 P CB 0.085 31.753 31.700 -0.054 0.000 0.785 2172 I N -0.749 119.740 120.570 -0.134 0.000 2.202 2172 I HA -0.191 3.980 4.170 0.001 0.000 0.242 2172 I C 2.724 178.529 176.117 -0.521 0.000 1.091 2172 I CA 1.515 62.698 61.300 -0.196 0.000 1.368 2172 I CB -0.585 37.434 38.000 0.031 0.000 1.058 2172 I HN -0.157 nan 8.210 nan 0.000 0.410 2173 M N 0.071 119.455 119.600 -0.361 0.000 2.319 2173 M HA -0.146 4.335 4.480 0.001 0.000 0.265 2173 M C 2.115 178.035 176.300 -0.632 0.000 1.068 2173 M CA 1.089 56.110 55.300 -0.465 0.000 1.118 2173 M CB -0.319 32.232 32.600 -0.081 0.000 1.395 2173 M HN -0.014 nan 8.290 nan 0.000 0.435 2174 K N 1.175 121.325 120.400 -0.416 0.000 2.360 2174 K HA -0.138 4.183 4.320 0.001 0.000 0.201 2174 K C 1.637 178.016 176.600 -0.368 0.000 1.046 2174 K CA 1.408 57.514 56.287 -0.301 0.000 0.945 2174 K CB -0.163 32.220 32.500 -0.195 0.000 0.750 2174 K HN 0.429 nan 8.250 nan 0.000 0.464 2175 Q N -1.219 118.205 119.800 -0.627 0.000 2.226 2175 Q HA -0.132 4.209 4.340 0.001 0.000 0.204 2175 Q C 0.676 176.529 176.000 -0.245 0.000 0.975 2175 Q CA 1.675 57.184 55.803 -0.490 0.000 0.866 2175 Q CB -0.089 28.245 28.738 -0.673 0.000 0.915 2175 Q HN 0.664 nan 8.270 nan 0.000 0.440 2176 W N -2.302 119.001 121.300 0.005 0.000 2.534 2176 W HA 0.714 5.375 4.660 0.001 0.000 0.339 2176 W C -0.137 176.367 176.519 -0.025 0.000 0.961 2176 W CA -0.223 57.119 57.345 -0.004 0.000 1.545 2176 W CB 0.268 29.733 29.460 0.008 0.000 1.104 2176 W HN -0.091 nan 8.180 nan 0.000 0.538 2177 A N 0.722 123.585 122.820 0.072 0.000 2.586 2177 A HA 0.616 4.937 4.320 0.001 0.000 0.290 2177 A C -1.080 176.472 177.584 -0.053 0.000 1.086 2177 A CA -1.251 50.810 52.037 0.040 0.000 0.665 2177 A CB 0.940 20.022 19.000 0.136 0.000 1.279 2177 A HN 0.027 nan 8.150 nan 0.000 0.423 2178 K N 0.374 120.708 120.400 -0.109 0.000 2.270 2178 K HA 0.517 4.838 4.320 0.001 0.000 0.276 2178 K C -0.851 175.767 176.600 0.029 0.000 1.023 2178 K CA -0.239 56.000 56.287 -0.080 0.000 0.955 2178 K CB 1.275 33.648 32.500 -0.211 0.000 0.975 2178 K HN 0.367 nan 8.250 nan 0.000 0.471 2179 V N 4.736 124.670 119.914 0.033 0.000 2.459 2179 V HA 0.355 4.475 4.120 0.001 0.000 0.295 2179 V C -0.173 175.956 176.094 0.059 0.000 1.029 2179 V CA -0.890 61.434 62.300 0.040 0.000 0.874 2179 V CB 1.347 33.163 31.823 -0.012 0.000 0.985 2179 V HN 0.586 nan 8.190 nan 0.000 0.438 2180 I N 4.113 124.713 120.570 0.051 0.000 2.530 2180 I HA 0.399 4.570 4.170 0.001 0.000 0.297 2180 I C -0.854 175.298 176.117 0.058 0.000 1.011 2180 I CA -0.853 60.460 61.300 0.021 0.000 1.107 2180 I CB 1.796 39.771 38.000 -0.042 0.000 1.285 2180 I HN 0.683 nan 8.210 nan 0.000 0.436 2181 Y N 4.575 124.865 120.300 -0.017 0.000 2.331 2181 Y HA 0.338 4.888 4.550 0.001 0.000 0.338 2181 Y C -0.102 175.814 175.900 0.027 0.000 0.976 2181 Y CA -0.918 57.180 58.100 -0.004 0.000 1.137 2181 Y CB 0.907 39.408 38.460 0.069 0.000 1.172 2181 Y HN 0.511 nan 8.280 nan 0.000 0.478 2182 D N 5.214 125.194 120.400 -0.699 0.000 2.422 2182 D HA 0.238 4.878 4.640 0.001 0.000 0.227 2182 D C 0.666 176.467 176.300 -0.833 0.000 1.190 2182 D CA 0.387 54.069 54.000 -0.529 0.000 0.905 2182 D CB 1.129 41.624 40.800 -0.507 0.000 1.034 2182 D HN 0.787 nan 8.370 nan 0.000 0.507 2183 A N 2.889 125.394 122.820 -0.525 0.000 2.014 2183 A HA -0.111 4.209 4.320 0.001 0.000 0.218 2183 A C 1.955 179.510 177.584 -0.050 0.000 1.163 2183 A CA 1.793 53.687 52.037 -0.240 0.000 0.652 2183 A CB -0.319 18.758 19.000 0.129 0.000 0.808 2183 A HN 0.609 nan 8.150 nan 0.000 0.449 2184 T N -4.074 110.463 114.554 -0.029 0.000 3.031 2184 T HA 0.189 4.539 4.350 0.001 0.000 0.254 2184 T C 1.847 176.545 174.700 -0.003 0.000 1.060 2184 T CA 1.093 63.203 62.100 0.016 0.000 1.135 2184 T CB -0.351 68.534 68.868 0.028 0.000 0.896 2184 T HN 0.291 nan 8.240 nan 0.000 0.472 2185 G N 1.123 109.892 108.800 -0.050 0.000 2.464 2185 G HA2 -0.030 3.930 3.960 0.001 0.000 0.217 2185 G HA3 -0.030 3.930 3.960 0.001 0.000 0.217 2185 G C 1.709 176.554 174.900 -0.092 0.000 1.138 2185 G CA 0.600 45.650 45.100 -0.082 0.000 0.793 2185 G HN 0.526 nan 8.290 nan 0.000 0.539 2186 S N -0.094 115.532 115.700 -0.124 0.000 2.474 2186 S HA -0.059 4.411 4.470 0.001 0.000 0.235 2186 S C 2.169 176.780 174.600 0.018 0.000 0.997 2186 S CA 1.133 59.289 58.200 -0.072 0.000 0.949 2186 S CB 0.098 63.259 63.200 -0.066 0.000 0.766 2186 S HN 0.507 nan 8.310 nan 0.000 0.517 2187 V N 0.140 120.087 119.914 0.055 0.000 3.578 2187 V HA 0.234 4.355 4.120 0.001 0.000 0.290 2187 V C 0.413 176.566 176.094 0.099 0.000 1.376 2187 V CA -0.564 61.804 62.300 0.113 0.000 1.083 2187 V CB -0.819 31.122 31.823 0.195 0.000 0.911 2187 V HN 0.487 nan 8.190 nan 0.000 0.433 2188 Q N 1.298 121.132 119.800 0.056 0.000 2.340 2188 Q HA 0.572 4.913 4.340 0.001 0.000 0.249 2188 Q C -0.720 175.319 176.000 0.065 0.000 0.957 2188 Q CA -0.541 55.295 55.803 0.055 0.000 0.882 2188 Q CB 1.567 30.322 28.738 0.028 0.000 1.235 2188 Q HN 0.512 nan 8.270 nan 0.000 0.439 2189 L N 2.955 124.222 121.223 0.074 0.000 2.297 2189 L HA 0.393 4.733 4.340 0.001 0.000 0.277 2189 L C -2.177 174.741 176.870 0.080 0.000 1.040 2189 L CA -2.267 52.623 54.840 0.083 0.000 0.867 2189 L CB 0.834 42.946 42.059 0.088 0.000 1.244 2189 L HN 0.491 nan 8.230 nan 0.000 0.433 2190 P HA 0.057 nan 4.420 nan 0.000 0.260 2190 P C 0.598 177.953 177.300 0.092 0.000 1.172 2190 P CA 0.787 63.949 63.100 0.103 0.000 0.760 2190 P CB 0.525 32.305 31.700 0.135 0.000 0.773 2200 M N 0.981 120.690 119.600 0.182 0.000 2.072 2200 M HA 0.498 4.978 4.480 0.001 0.000 0.331 2200 M C 1.223 177.578 176.300 0.091 0.000 1.004 2200 M CA -0.529 54.858 55.300 0.146 0.000 0.952 2200 M CB 1.824 34.583 32.600 0.266 0.000 1.511 2200 M HN 0.642 nan 8.290 nan 0.000 0.422 2201 R N 2.263 122.771 120.500 0.014 0.000 2.152 2201 R HA -0.157 4.183 4.340 0.001 0.000 0.232 2201 R C 1.531 177.807 176.300 -0.040 0.000 1.117 2201 R CA 1.936 58.042 56.100 0.010 0.000 0.981 2201 R CB 0.126 30.424 30.300 -0.004 0.000 0.870 2201 R HN 0.859 nan 8.270 nan 0.000 0.451 2202 E N -0.670 119.409 120.200 -0.202 0.000 2.333 2202 E HA -0.192 4.159 4.350 0.001 0.000 0.198 2202 E C 0.579 176.962 176.600 -0.363 0.000 1.007 2202 E CA 0.931 57.124 56.400 -0.345 0.000 0.845 2202 E CB -0.126 29.228 29.700 -0.576 0.000 0.766 2202 E HN 0.391 nan 8.360 nan 0.000 0.507 2203 F N 0.416 120.424 119.950 0.097 0.000 2.721 2203 F HA 0.336 4.864 4.527 0.001 0.000 0.301 2203 F C 1.741 177.635 175.800 0.157 0.000 1.096 2203 F CA -0.577 57.489 58.000 0.111 0.000 1.308 2203 F CB 0.004 39.063 39.000 0.097 0.000 1.086 2203 F HN -0.059 nan 8.300 nan 0.000 0.587 2204 I N -0.411 120.326 120.570 0.279 0.000 2.127 2204 I HA -0.366 3.805 4.170 0.001 0.000 0.241 2204 I C 2.535 178.863 176.117 0.352 0.000 1.075 2204 I CA 1.881 63.344 61.300 0.270 0.000 1.334 2204 I CB -0.495 37.606 38.000 0.167 0.000 1.040 2204 I HN 0.142 nan 8.210 nan 0.000 0.405 2205 F N 1.814 121.836 119.950 0.120 0.000 2.113 2205 F HA -0.150 4.378 4.527 0.001 0.000 0.297 2205 F C -0.346 175.515 175.800 0.102 0.000 1.103 2205 F CA 1.132 59.191 58.000 0.098 0.000 1.248 2205 F CB -1.009 38.025 39.000 0.056 0.000 0.999 2205 F HN 0.019 nan 8.300 nan 0.000 0.475 2206 P HA -0.206 nan 4.420 nan 0.000 0.215 2206 P C 1.740 179.079 177.300 0.065 0.000 1.153 2206 P CA 1.614 64.730 63.100 0.027 0.000 0.853 2206 P CB -0.091 31.677 31.700 0.114 0.000 0.788 2207 L N -1.491 119.852 121.223 0.201 0.000 2.156 2207 L HA -0.089 4.251 4.340 0.001 0.000 0.208 2207 L C 2.423 179.389 176.870 0.160 0.000 1.095 2207 L CA 0.991 55.964 54.840 0.221 0.000 0.770 2207 L CB -0.593 41.708 42.059 0.404 0.000 0.914 2207 L HN -0.034 nan 8.230 nan 0.000 0.439 2208 I N -0.252 120.499 120.570 0.303 0.000 2.439 2208 I HA -0.237 3.934 4.170 0.001 0.000 0.251 2208 I C 2.730 178.929 176.117 0.137 0.000 1.139 2208 I CA 0.950 62.437 61.300 0.313 0.000 1.438 2208 I CB -0.034 38.224 38.000 0.430 0.000 1.085 2208 I HN 0.214 nan 8.210 nan 0.000 0.427 2209 R N 0.648 121.197 120.500 0.083 0.000 2.075 2209 R HA -0.122 4.219 4.340 0.001 0.000 0.232 2209 R C 2.356 178.580 176.300 -0.126 0.000 1.126 2209 R CA 1.397 57.479 56.100 -0.030 0.000 0.963 2209 R CB -0.489 29.718 30.300 -0.154 0.000 0.858 2209 R HN 0.413 nan 8.270 nan 0.000 0.435 2210 A N 1.511 124.187 122.820 -0.240 0.000 1.902 2210 A HA -0.125 4.196 4.320 0.001 0.000 0.217 2210 A C 2.418 179.713 177.584 -0.482 0.000 1.181 2210 A CA 1.691 53.429 52.037 -0.500 0.000 0.623 2210 A CB -0.626 17.826 19.000 -0.913 0.000 0.818 2210 A HN 0.388 nan 8.150 nan 0.000 0.443 2211 A N -0.033 122.599 122.820 -0.312 0.000 1.883 2211 A HA -0.085 4.236 4.320 0.001 0.000 0.217 2211 A C 2.302 179.863 177.584 -0.039 0.000 1.186 2211 A CA 2.549 54.506 52.037 -0.134 0.000 0.624 2211 A CB -1.284 17.531 19.000 -0.308 0.000 0.822 2211 A HN 1.171 nan 8.150 nan 0.000 0.444 2212 V N -2.957 116.961 119.914 0.008 0.000 2.871 2212 V HA 0.161 4.282 4.120 0.001 0.000 0.256 2212 V C 2.417 178.575 176.094 0.106 0.000 1.082 2212 V CA 1.443 63.783 62.300 0.067 0.000 1.105 2212 V CB -1.188 30.661 31.823 0.043 0.000 0.713 2212 V HN 0.501 nan 8.190 nan 0.000 0.473 2213 A N 0.518 123.350 122.820 0.019 0.000 1.929 2213 A HA 0.008 4.329 4.320 0.001 0.000 0.216 2213 A C 2.314 179.958 177.584 0.101 0.000 1.176 2213 A CA 1.890 53.960 52.037 0.055 0.000 0.628 2213 A CB -0.601 18.358 19.000 -0.067 0.000 0.816 2213 A HN 0.410 nan 8.150 nan 0.000 0.444 2214 V N -0.866 119.024 119.914 -0.039 0.000 2.323 2214 V HA 0.283 4.404 4.120 0.001 0.000 0.244 2214 V C 1.318 177.298 176.094 -0.191 0.000 1.041 2214 V CA 1.380 63.645 62.300 -0.059 0.000 1.025 2214 V CB -1.119 30.666 31.823 -0.064 0.000 0.656 2214 V HN 1.222 nan 8.190 nan 0.000 0.451 2215 G N -0.296 108.299 108.800 -0.342 0.000 3.400 2215 G HA2 0.106 4.067 3.960 0.001 0.000 0.679 2215 G HA3 0.106 4.067 3.960 0.001 0.000 0.679 2215 G C -0.772 173.897 174.900 -0.385 0.000 1.239 2215 G CA -0.651 43.916 45.100 -0.888 0.000 1.049 2215 G HN 0.994 nan 8.290 nan 0.000 0.539 2216 C N 0.342 119.537 119.300 -0.175 0.000 3.291 2216 C HA 0.874 5.335 4.460 0.001 0.000 0.316 2216 C C 0.576 175.641 174.990 0.125 0.000 1.391 2216 C CA -0.569 58.452 59.018 0.006 0.000 1.394 2216 C CB 1.916 29.717 27.740 0.102 0.000 1.744 2216 C HN 0.638 nan 8.230 nan 0.000 0.461 2217 D N 0.305 120.740 120.400 0.059 0.000 2.350 2217 D HA 0.394 5.034 4.640 0.001 0.000 0.213 2217 D C 0.779 176.898 176.300 -0.301 0.000 1.031 2217 D CA 1.317 55.334 54.000 0.028 0.000 0.861 2217 D CB 0.922 41.750 40.800 0.046 0.000 0.926 2217 D HN 1.090 nan 8.370 nan 0.000 0.520 2218 G N -0.408 108.136 108.800 -0.426 0.000 2.356 2218 G HA2 0.379 4.340 3.960 0.001 0.000 0.294 2218 G HA3 0.379 4.340 3.960 0.001 0.000 0.294 2218 G C -1.744 172.956 174.900 -0.332 0.000 1.423 2218 G CA -0.575 43.975 45.100 -0.917 0.000 0.806 2218 G HN -0.053 nan 8.290 nan 0.000 0.527 2219 V N -0.009 119.742 119.914 -0.272 0.000 2.914 2219 V HA 0.802 4.923 4.120 0.001 0.000 0.314 2219 V C -1.261 174.839 176.094 0.010 0.000 1.084 2219 V CA -0.738 61.585 62.300 0.038 0.000 0.963 2219 V CB 2.045 33.987 31.823 0.200 0.000 1.025 2219 V HN 0.854 nan 8.190 nan 0.000 0.432 2220 F N 4.161 124.027 119.950 -0.140 0.000 2.518 2220 F HA 0.823 5.350 4.527 0.001 0.000 0.323 2220 F C -0.579 175.128 175.800 -0.154 0.000 1.129 2220 F CA -0.657 57.239 58.000 -0.174 0.000 0.920 2220 F CB 1.584 40.461 39.000 -0.205 0.000 1.160 2220 F HN 0.384 nan 8.300 nan 0.000 0.440 2221 M N 5.595 124.977 119.600 -0.364 0.000 2.271 2221 M HA 0.308 4.788 4.480 0.001 0.000 0.285 2221 M C -1.173 174.909 176.300 -0.364 0.000 1.059 2221 M CA -0.540 54.622 55.300 -0.230 0.000 0.940 2221 M CB 2.578 35.105 32.600 -0.123 0.000 1.636 2221 M HN 0.506 nan 8.290 nan 0.000 0.460 2222 E N 1.702 121.770 120.200 -0.219 0.000 2.229 2222 E HA 0.387 4.737 4.350 0.001 0.000 0.283 2222 E C -0.559 175.977 176.600 -0.106 0.000 1.030 2222 E CA -0.213 56.072 56.400 -0.192 0.000 0.836 2222 E CB 1.872 31.529 29.700 -0.072 0.000 1.068 2222 E HN 0.459 nan 8.360 nan 0.000 0.401 2223 T N 2.439 116.929 114.554 -0.106 0.000 2.900 2223 T HA 0.249 4.600 4.350 0.001 0.000 0.295 2223 T C -1.581 173.137 174.700 0.029 0.000 1.044 2223 T CA -0.631 61.446 62.100 -0.038 0.000 0.995 2223 T CB 1.184 70.014 68.868 -0.064 0.000 1.072 2223 T HN 0.450 nan 8.240 nan 0.000 0.473 2224 H N 3.501 122.544 119.070 -0.045 0.000 2.894 2224 H HA 0.363 4.920 4.556 0.001 0.000 0.367 2224 H C -2.447 172.871 175.328 -0.018 0.000 1.144 2224 H CA -1.738 54.295 56.048 -0.025 0.000 1.180 2224 H CB 2.714 32.462 29.762 -0.022 0.000 1.758 2224 H HN 0.328 nan 8.280 nan 0.000 0.541 2225 P HA -0.103 nan 4.420 nan 0.000 0.216 2225 P C -0.674 176.736 177.300 0.182 0.000 1.150 2225 P CA 1.519 64.652 63.100 0.055 0.000 0.843 2225 P CB 0.402 32.077 31.700 -0.042 0.000 0.787 2226 E N -2.490 117.975 120.200 0.441 0.000 2.914 2226 E HA 0.152 4.503 4.350 0.001 0.000 0.246 2226 E C -2.241 174.342 176.600 -0.028 0.000 1.146 2226 E CA -1.634 54.876 56.400 0.182 0.000 0.803 2226 E CB 1.170 30.942 29.700 0.121 0.000 1.409 2226 E HN 0.059 nan 8.360 nan 0.000 0.392 2227 P HA -0.310 nan 4.420 nan 0.000 0.216 2227 P C 1.252 178.429 177.300 -0.205 0.000 1.157 2227 P CA 1.525 64.513 63.100 -0.187 0.000 0.880 2227 P CB 0.165 31.831 31.700 -0.058 0.000 0.791 2228 E N 0.247 120.379 120.200 -0.114 0.000 2.331 2228 E HA -0.207 4.144 4.350 0.001 0.000 0.199 2228 E C 1.264 177.798 176.600 -0.111 0.000 1.008 2228 E CA 1.187 57.535 56.400 -0.088 0.000 0.843 2228 E CB -0.652 29.020 29.700 -0.047 0.000 0.761 2228 E HN 0.292 nan 8.360 nan 0.000 0.507 2229 K N 0.441 120.744 120.400 -0.162 0.000 2.358 2229 K HA 0.280 4.600 4.320 0.001 0.000 0.197 2229 K C 0.395 176.846 176.600 -0.249 0.000 1.025 2229 K CA 0.127 56.325 56.287 -0.147 0.000 1.104 2229 K CB 0.813 33.273 32.500 -0.066 0.000 0.855 2229 K HN 0.125 nan 8.250 nan 0.000 0.531 2230 A N 1.131 123.694 122.820 -0.427 0.000 2.483 2230 A HA 0.066 4.386 4.320 0.001 0.000 0.238 2230 A C 0.972 178.435 177.584 -0.201 0.000 1.070 2230 A CA 0.034 51.806 52.037 -0.443 0.000 0.770 2230 A CB 0.138 18.876 19.000 -0.436 0.000 1.008 2230 A HN 0.272 nan 8.150 nan 0.000 0.497 2231 L N 1.186 122.305 121.223 -0.173 0.000 2.558 2231 L HA 0.091 4.432 4.340 0.001 0.000 0.225 2231 L C 0.722 177.601 176.870 0.015 0.000 1.128 2231 L CA 0.886 55.625 54.840 -0.169 0.000 0.868 2231 L CB -0.460 41.255 42.059 -0.574 0.000 1.006 2231 L HN 0.826 nan 8.230 nan 0.000 0.454 2232 S N -2.829 112.888 115.700 0.029 0.000 2.533 2232 S HA 0.332 4.803 4.470 0.001 0.000 0.271 2232 S C -0.544 174.070 174.600 0.024 0.000 1.143 2232 S CA -0.848 57.397 58.200 0.074 0.000 0.891 2232 S CB 2.032 65.321 63.200 0.148 0.000 1.105 2232 S HN 0.126 nan 8.310 nan 0.000 0.468 2233 D N 0.560 120.973 120.400 0.021 0.000 2.689 2233 D HA -0.169 4.472 4.640 0.001 0.000 0.237 2233 D C 1.160 177.449 176.300 -0.018 0.000 1.148 2233 D CA 1.089 55.094 54.000 0.008 0.000 0.656 2233 D CB -1.276 39.534 40.800 0.016 0.000 1.050 2233 D HN 0.886 nan 8.370 nan 0.000 0.426 2234 A N -0.663 122.136 122.820 -0.035 0.000 2.015 2234 A HA -0.092 4.229 4.320 0.001 0.000 0.219 2234 A C 2.259 179.820 177.584 -0.039 0.000 1.163 2234 A CA 1.597 53.594 52.037 -0.068 0.000 0.646 2234 A CB 0.095 19.051 19.000 -0.073 0.000 0.806 2234 A HN 0.287 nan 8.150 nan 0.000 0.448 2235 S N -0.940 114.753 115.700 -0.012 0.000 2.527 2235 S HA -0.021 4.449 4.470 0.001 0.000 0.222 2235 S C 1.692 176.300 174.600 0.013 0.000 0.985 2235 S CA 1.341 59.542 58.200 0.003 0.000 0.921 2235 S CB -0.045 63.165 63.200 0.018 0.000 0.772 2235 S HN 0.895 nan 8.310 nan 0.000 0.529 2236 T N -1.801 112.760 114.554 0.012 0.000 2.958 2236 T HA 0.249 4.599 4.350 0.001 0.000 0.256 2236 T C 0.358 175.067 174.700 0.015 0.000 0.983 2236 T CA -0.318 61.796 62.100 0.023 0.000 0.924 2236 T CB -0.020 68.867 68.868 0.032 0.000 1.136 2236 T HN 0.106 nan 8.240 nan 0.000 0.506 2237 Q N 1.350 121.152 119.800 0.002 0.000 2.311 2237 Q HA 0.372 4.713 4.340 0.001 0.000 0.272 2237 Q C -0.745 175.257 176.000 0.004 0.000 1.012 2237 Q CA -0.447 55.358 55.803 0.003 0.000 0.891 2237 Q CB 1.098 29.841 28.738 0.010 0.000 1.201 2237 Q HN 0.344 nan 8.270 nan 0.000 0.391 2238 L N 5.764 126.986 121.223 -0.002 0.000 2.367 2238 L HA 0.252 4.592 4.340 0.001 0.000 0.275 2238 L C -2.357 174.514 176.870 0.001 0.000 1.129 2238 L CA -1.443 53.391 54.840 -0.009 0.000 0.839 2238 L CB 0.629 42.670 42.059 -0.030 0.000 1.133 2238 L HN 0.393 nan 8.230 nan 0.000 0.453 2239 P HA -0.011 nan 4.420 nan 0.000 0.264 2239 P C 0.938 178.239 177.300 0.000 0.000 1.193 2239 P CA 0.107 63.216 63.100 0.014 0.000 0.763 2239 P CB 0.591 32.294 31.700 0.005 0.000 0.810 2240 L N 2.975 124.204 121.223 0.009 0.000 2.089 2240 L HA -0.273 4.068 4.340 0.001 0.000 0.213 2240 L C 2.057 178.919 176.870 -0.014 0.000 1.079 2240 L CA 2.476 57.310 54.840 -0.010 0.000 0.758 2240 L CB -0.585 41.465 42.059 -0.016 0.000 0.891 2240 L HN 0.452 nan 8.230 nan 0.000 0.433 2241 S N -1.605 114.089 115.700 -0.009 0.000 2.442 2241 S HA -0.229 4.241 4.470 0.001 0.000 0.236 2241 S C 1.626 176.216 174.600 -0.017 0.000 1.007 2241 S CA 0.854 59.048 58.200 -0.009 0.000 0.965 2241 S CB -0.213 62.985 63.200 -0.004 0.000 0.773 2241 S HN 0.568 nan 8.310 nan 0.000 0.504 2242 Q N -0.210 119.571 119.800 -0.033 0.000 2.392 2242 Q HA 0.289 4.629 4.340 0.001 0.000 0.203 2242 Q C 1.762 177.707 176.000 -0.093 0.000 0.917 2242 Q CA 0.042 55.805 55.803 -0.067 0.000 0.939 2242 Q CB -0.126 28.561 28.738 -0.085 0.000 1.063 2242 Q HN 0.446 nan 8.270 nan 0.000 0.516 2243 L N 1.465 122.654 121.223 -0.056 0.000 2.012 2243 L HA -0.220 4.120 4.340 0.001 0.000 0.210 2243 L C 2.152 179.005 176.870 -0.028 0.000 1.073 2243 L CA 1.963 56.773 54.840 -0.049 0.000 0.748 2243 L CB -0.396 41.656 42.059 -0.012 0.000 0.891 2243 L HN 0.214 nan 8.230 nan 0.000 0.431 2244 E N -0.981 119.237 120.200 0.030 0.000 2.058 2244 E HA -0.217 4.134 4.350 0.001 0.000 0.194 2244 E C 2.079 178.718 176.600 0.066 0.000 0.997 2244 E CA 1.241 57.711 56.400 0.116 0.000 0.801 2244 E CB -0.511 29.286 29.700 0.162 0.000 0.746 2244 E HN 0.616 nan 8.360 nan 0.000 0.450 2245 G N 1.324 110.128 108.800 0.007 0.000 2.446 2245 G HA2 -0.258 3.702 3.960 0.001 0.000 0.217 2245 G HA3 -0.258 3.702 3.960 0.001 0.000 0.217 2245 G C 1.618 176.456 174.900 -0.103 0.000 1.168 2245 G CA 1.003 46.093 45.100 -0.017 0.000 0.771 2245 G HN 0.268 nan 8.290 nan 0.000 0.551 2246 I N 0.451 120.862 120.570 -0.264 0.000 2.226 2246 I HA -0.122 4.049 4.170 0.001 0.000 0.245 2246 I C 2.676 178.706 176.117 -0.144 0.000 1.100 2246 I CA 0.759 61.821 61.300 -0.397 0.000 1.374 2246 I CB -0.193 37.516 38.000 -0.485 0.000 1.057 2246 I HN 0.170 nan 8.210 nan 0.000 0.413 2247 I N 0.548 121.024 120.570 -0.157 0.000 2.179 2247 I HA -0.283 3.888 4.170 0.001 0.000 0.242 2247 I C 2.630 178.583 176.117 -0.273 0.000 1.088 2247 I CA 1.332 62.484 61.300 -0.247 0.000 1.357 2247 I CB -0.351 37.391 38.000 -0.430 0.000 1.051 2247 I HN 0.221 nan 8.210 nan 0.000 0.409 2248 E N 1.633 121.736 120.200 -0.163 0.000 2.077 2248 E HA -0.215 4.136 4.350 0.001 0.000 0.193 2248 E C 2.077 178.705 176.600 0.046 0.000 0.989 2248 E CA 1.836 58.257 56.400 0.034 0.000 0.800 2248 E CB -0.211 29.618 29.700 0.215 0.000 0.746 2248 E HN 0.410 nan 8.360 nan 0.000 0.452 2249 A N 1.200 124.069 122.820 0.081 0.000 1.877 2249 A HA -0.142 4.178 4.320 0.001 0.000 0.216 2249 A C 2.404 180.049 177.584 0.102 0.000 1.186 2249 A CA 1.877 54.009 52.037 0.158 0.000 0.620 2249 A CB -1.045 18.199 19.000 0.406 0.000 0.822 2249 A HN 0.538 nan 8.150 nan 0.000 0.443 2250 I N -2.841 117.773 120.570 0.074 0.000 2.546 2250 I HA -0.109 4.062 4.170 0.001 0.000 0.255 2250 I C 2.055 178.093 176.117 -0.132 0.000 1.163 2250 I CA 1.087 62.390 61.300 0.004 0.000 1.457 2250 I CB -0.410 37.608 38.000 0.031 0.000 1.092 2250 I HN 0.197 nan 8.210 nan 0.000 0.434 2251 L N 1.117 122.251 121.223 -0.149 0.000 2.093 2251 L HA -0.120 4.221 4.340 0.001 0.000 0.208 2251 L C 2.688 179.501 176.870 -0.095 0.000 1.085 2251 L CA 1.511 56.242 54.840 -0.180 0.000 0.755 2251 L CB -0.549 41.444 42.059 -0.111 0.000 0.904 2251 L HN 0.286 nan 8.230 nan 0.000 0.435 2252 E N 0.364 120.544 120.200 -0.033 0.000 2.047 2252 E HA -0.202 4.149 4.350 0.001 0.000 0.191 2252 E C 2.267 178.849 176.600 -0.030 0.000 0.987 2252 E CA 1.196 57.588 56.400 -0.012 0.000 0.799 2252 E CB -0.077 29.635 29.700 0.020 0.000 0.752 2252 E HN 0.458 nan 8.360 nan 0.000 0.449 2253 I N 0.885 121.438 120.570 -0.029 0.000 2.226 2253 I HA -0.273 3.898 4.170 0.001 0.000 0.245 2253 I C 2.757 178.850 176.117 -0.040 0.000 1.100 2253 I CA 1.059 62.342 61.300 -0.028 0.000 1.374 2253 I CB -0.278 37.711 38.000 -0.019 0.000 1.057 2253 I HN 0.043 nan 8.210 nan 0.000 0.413 2254 R N 1.079 121.536 120.500 -0.073 0.000 2.081 2254 R HA -0.227 4.114 4.340 0.001 0.000 0.235 2254 R C 2.351 178.574 176.300 -0.129 0.000 1.131 2254 R CA 1.592 57.646 56.100 -0.077 0.000 0.960 2254 R CB -0.260 29.912 30.300 -0.213 0.000 0.856 2254 R HN 0.264 nan 8.270 nan 0.000 0.436 2255 E N 0.354 120.487 120.200 -0.113 0.000 2.058 2255 E HA -0.164 4.187 4.350 0.001 0.000 0.194 2255 E C 1.867 178.393 176.600 -0.123 0.000 0.997 2255 E CA 1.850 58.187 56.400 -0.106 0.000 0.801 2255 E CB -0.026 29.636 29.700 -0.064 0.000 0.746 2255 E HN 0.292 nan 8.360 nan 0.000 0.450 2256 V N 0.979 120.841 119.914 -0.088 0.000 2.346 2256 V HA -0.144 3.977 4.120 0.001 0.000 0.244 2256 V C 2.559 178.612 176.094 -0.067 0.000 1.037 2256 V CA 1.640 63.903 62.300 -0.062 0.000 1.029 2256 V CB -0.814 31.003 31.823 -0.012 0.000 0.663 2256 V HN 0.331 nan 8.190 nan 0.000 0.454 2257 A N 0.924 123.701 122.820 -0.071 0.000 1.969 2257 A HA -0.163 4.157 4.320 0.001 0.000 0.218 2257 A C 2.504 179.820 177.584 -0.447 0.000 1.169 2257 A CA 1.810 53.823 52.037 -0.041 0.000 0.635 2257 A CB -0.727 18.312 19.000 0.064 0.000 0.810 2257 A HN 0.675 nan 8.150 nan 0.000 0.445 2258 S N 0.421 115.627 115.700 -0.824 0.000 2.420 2258 S HA -0.275 4.196 4.470 0.001 0.000 0.237 2258 S C 1.834 175.951 174.600 -0.806 0.000 1.023 2258 S CA 1.700 59.042 58.200 -1.429 0.000 0.991 2258 S CB -0.469 62.307 63.200 -0.707 0.000 0.792 2258 S HN 0.673 nan 8.310 nan 0.000 0.488 2259 K N 0.394 120.443 120.400 -0.585 0.000 2.209 2259 K HA -0.122 4.198 4.320 0.001 0.000 0.204 2259 K C 0.911 177.114 176.600 -0.663 0.000 1.048 2259 K CA 1.368 57.281 56.287 -0.624 0.000 0.940 2259 K CB -0.229 31.784 32.500 -0.811 0.000 0.729 2259 K HN 0.653 nan 8.250 nan 0.000 0.451 2260 Y N -0.829 119.361 120.300 -0.185 0.000 2.458 2260 Y HA 0.125 4.676 4.550 0.001 0.000 0.256 2260 Y C -0.233 175.717 175.900 0.082 0.000 1.159 2260 Y CA -1.008 57.063 58.100 -0.048 0.000 1.261 2260 Y CB 0.240 38.682 38.460 -0.029 0.000 1.119 2260 Y HN -0.136 nan 8.280 nan 0.000 0.524 2261 Y N 2.311 122.654 120.300 0.072 0.000 2.721 2261 Y HA 0.052 4.602 4.550 0.001 0.000 0.329 2261 Y C 0.653 176.572 175.900 0.031 0.000 1.211 2261 Y CA -0.997 57.131 58.100 0.046 0.000 1.512 2261 Y CB -0.215 38.260 38.460 0.024 0.000 1.249 2261 Y HN 0.127 nan 8.280 nan 0.000 0.549 2262 E N 0.803 121.112 120.200 0.181 0.000 2.392 2262 E HA 0.107 4.457 4.350 0.001 0.000 0.264 2262 E C -0.062 176.579 176.600 0.068 0.000 1.024 2262 E CA -0.024 56.434 56.400 0.097 0.000 0.903 2262 E CB 0.252 29.987 29.700 0.058 0.000 0.963 2262 E HN 0.427 nan 8.360 nan 0.000 0.432 2263 T N 3.993 118.575 114.554 0.047 0.000 2.817 2263 T HA 0.069 4.420 4.350 0.001 0.000 0.295 2263 T C 1.044 175.749 174.700 0.008 0.000 0.958 2263 T CA -0.165 61.953 62.100 0.030 0.000 1.157 2263 T CB -0.182 68.699 68.868 0.022 0.000 0.898 2263 T HN 0.526 nan 8.240 nan 0.000 0.536 2264 I N 0.000 120.567 120.570 -0.004 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 2264 I CB 0.000 37.984 38.000 -0.026 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494