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 1y1q_1_B DATA FIRST_RESID 2004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRRFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQXXXXXXXX XXXTESHAVK IVVEAARRLL 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 2004 S HA 0.000 nan 4.470 nan 0.000 0.327 2004 S C 0.000 174.601 174.600 0.002 0.000 1.055 2004 S CA 0.000 58.190 58.200 -0.017 0.000 1.107 2004 S CB 0.000 63.176 63.200 -0.040 0.000 0.593 2005 D N 0.780 121.191 120.400 0.018 0.000 2.249 2005 D HA 0.078 4.718 4.640 -0.000 0.000 0.205 2005 D C 1.025 177.356 176.300 0.052 0.000 0.962 2005 D CA 1.147 55.166 54.000 0.031 0.000 0.860 2005 D CB 0.209 41.026 40.800 0.029 0.000 0.955 2005 D HN 0.458 nan 8.370 nan 0.000 0.505 2006 V N -1.896 118.052 119.914 0.056 0.000 2.850 2006 V HA 0.355 4.474 4.120 -0.000 0.000 0.315 2006 V C 0.821 176.980 176.094 0.108 0.000 1.064 2006 V CA -0.916 61.442 62.300 0.097 0.000 0.979 2006 V CB 1.631 33.506 31.823 0.086 0.000 1.039 2006 V HN -0.109 nan 8.190 nan 0.000 0.452 2007 F N 0.700 120.667 119.950 0.030 0.000 2.512 2007 F HA 0.152 4.679 4.527 0.000 0.000 0.296 2007 F C 1.755 177.472 175.800 -0.139 0.000 1.110 2007 F CA 1.702 59.672 58.000 -0.050 0.000 1.446 2007 F CB 0.134 39.102 39.000 -0.053 0.000 1.092 2007 F HN 0.814 nan 8.300 nan 0.000 0.554 2008 H N -1.401 117.722 119.070 0.088 0.000 2.501 2008 H HA 0.264 4.820 4.556 -0.000 0.000 0.281 2008 H C 1.822 177.193 175.328 0.071 0.000 0.988 2008 H CA 0.809 56.895 56.048 0.062 0.000 1.232 2008 H CB -0.012 29.795 29.762 0.076 0.000 1.455 2008 H HN 0.075 nan 8.280 nan 0.000 0.501 2009 L N -0.022 121.287 121.223 0.143 0.000 2.554 2009 L HA 0.197 4.537 4.340 -0.000 0.000 0.226 2009 L C 0.803 177.839 176.870 0.276 0.000 1.137 2009 L CA 0.478 55.428 54.840 0.184 0.000 0.863 2009 L CB -0.279 41.815 42.059 0.058 0.000 0.985 2009 L HN 0.456 nan 8.230 nan 0.000 0.451 2010 G N 1.626 110.527 108.800 0.169 0.000 2.350 2010 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.298 2010 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.298 2010 G C -0.280 174.696 174.900 0.127 0.000 1.037 2010 G CA 0.227 45.423 45.100 0.160 0.000 1.074 2010 G HN 0.278 nan 8.290 nan 0.000 0.511 2011 L N -0.760 120.505 121.223 0.070 0.000 2.359 2011 L HA 0.884 5.224 4.340 -0.000 0.000 0.256 2011 L C 0.446 177.332 176.870 0.028 0.000 1.026 2011 L CA -0.670 54.198 54.840 0.045 0.000 0.828 2011 L CB 2.605 44.691 42.059 0.046 0.000 1.406 2011 L HN 0.415 nan 8.230 nan 0.000 0.413 2012 T N -3.781 110.783 114.554 0.018 0.000 2.907 2012 T HA 0.292 4.642 4.350 -0.000 0.000 0.292 2012 T C 0.434 175.141 174.700 0.011 0.000 1.043 2012 T CA -0.859 61.249 62.100 0.013 0.000 1.003 2012 T CB 2.333 71.205 68.868 0.006 0.000 1.084 2012 T HN 0.640 nan 8.240 nan 0.000 0.483 2013 K N 0.853 121.260 120.400 0.011 0.000 2.160 2013 K HA -0.261 4.059 4.320 -0.000 0.000 0.206 2013 K C 1.940 178.541 176.600 0.002 0.000 1.047 2013 K CA 2.075 58.366 56.287 0.008 0.000 0.930 2013 K CB -0.320 32.185 32.500 0.008 0.000 0.720 2013 K HN 0.718 nan 8.250 nan 0.000 0.450 2014 N N 1.217 119.918 118.700 0.001 0.000 2.120 2014 N HA -0.185 4.554 4.740 -0.000 0.000 0.188 2014 N C 1.220 176.726 175.510 -0.007 0.000 1.024 2014 N CA 2.000 55.047 53.050 -0.004 0.000 0.852 2014 N CB -0.135 38.349 38.487 -0.005 0.000 1.003 2014 N HN 0.163 nan 8.380 nan 0.000 0.424 2015 D N -0.286 120.110 120.400 -0.006 0.000 2.221 2015 D HA -0.126 4.514 4.640 -0.000 0.000 0.204 2015 D C 1.622 177.917 176.300 -0.010 0.000 0.982 2015 D CA 0.729 54.722 54.000 -0.012 0.000 0.857 2015 D CB -0.097 40.698 40.800 -0.009 0.000 0.934 2015 D HN 0.314 nan 8.370 nan 0.000 0.475 2016 L N 0.433 121.653 121.223 -0.005 0.000 2.291 2016 L HA -0.041 4.299 4.340 -0.000 0.000 0.214 2016 L C 0.895 177.760 176.870 -0.009 0.000 1.120 2016 L CA 0.725 55.561 54.840 -0.006 0.000 0.799 2016 L CB -0.263 41.791 42.059 -0.008 0.000 0.925 2016 L HN -0.044 nan 8.230 nan 0.000 0.446 2017 Q N -0.563 119.232 119.800 -0.009 0.000 2.494 2017 Q HA -0.259 4.081 4.340 -0.000 0.000 0.272 2017 Q C 1.218 177.212 176.000 -0.010 0.000 1.145 2017 Q CA 0.891 56.688 55.803 -0.009 0.000 0.943 2017 Q CB -2.280 26.453 28.738 -0.009 0.000 1.338 2017 Q HN 0.656 nan 8.270 nan 0.000 0.492 2018 G N -1.617 107.175 108.800 -0.012 0.000 2.176 2018 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.253 2018 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.253 2018 G C 0.416 175.303 174.900 -0.022 0.000 0.979 2018 G CA 0.446 45.538 45.100 -0.014 0.000 0.641 2018 G HN 1.324 nan 8.290 nan 0.000 0.530 2019 A N -0.312 122.493 122.820 -0.025 0.000 2.555 2019 A HA 0.496 4.816 4.320 -0.000 0.000 0.233 2019 A C 1.062 178.612 177.584 -0.057 0.000 1.060 2019 A CA 1.649 53.663 52.037 -0.038 0.000 0.759 2019 A CB 0.157 19.136 19.000 -0.035 0.000 0.995 2019 A HN 0.626 nan 8.150 nan 0.000 0.506 2020 Q N 0.200 119.954 119.800 -0.076 0.000 2.140 2020 Q HA 0.342 4.682 4.340 -0.000 0.000 0.227 2020 Q C -0.594 175.304 176.000 -0.170 0.000 0.798 2020 Q CA -0.028 55.713 55.803 -0.103 0.000 0.987 2020 Q CB 0.756 29.452 28.738 -0.071 0.000 1.161 2020 Q HN 0.718 nan 8.270 nan 0.000 0.480 2021 L N 0.476 121.601 121.223 -0.163 0.000 2.381 2021 L HA 0.863 5.203 4.340 -0.000 0.000 0.268 2021 L C -1.857 174.893 176.870 -0.200 0.000 0.997 2021 L CA -0.656 54.059 54.840 -0.208 0.000 0.818 2021 L CB 1.883 43.867 42.059 -0.125 0.000 1.310 2021 L HN -0.069 nan 8.230 nan 0.000 0.416 2022 A N 5.350 128.010 122.820 -0.266 0.000 2.422 2022 A HA 0.682 5.002 4.320 -0.000 0.000 0.302 2022 A C -1.171 176.384 177.584 -0.049 0.000 1.041 2022 A CA -0.507 51.441 52.037 -0.147 0.000 0.708 2022 A CB 1.231 20.130 19.000 -0.169 0.000 1.257 2022 A HN 0.646 nan 8.150 nan 0.000 0.414 2023 I N 2.572 123.147 120.570 0.007 0.000 2.331 2023 I HA 0.396 4.566 4.170 -0.000 0.000 0.292 2023 I C -0.271 175.890 176.117 0.074 0.000 0.998 2023 I CA -0.696 60.626 61.300 0.036 0.000 1.267 2023 I CB 1.712 39.723 38.000 0.018 0.000 1.386 2023 I HN 0.472 nan 8.210 nan 0.000 0.476 2024 V N 5.850 125.826 119.914 0.103 0.000 2.305 2024 V HA 0.528 4.648 4.120 -0.000 0.000 0.275 2024 V C -2.529 173.614 176.094 0.083 0.000 1.020 2024 V CA -1.726 60.645 62.300 0.118 0.000 0.811 2024 V CB 0.622 32.554 31.823 0.182 0.000 1.031 2024 V HN 0.485 nan 8.190 nan 0.000 0.439 2025 P HA 0.400 nan 4.420 nan 0.000 0.282 2025 P C 0.744 178.074 177.300 0.050 0.000 1.287 2025 P CA 0.193 63.318 63.100 0.041 0.000 0.792 2025 P CB 2.071 33.782 31.700 0.019 0.000 1.163 2026 G N -0.676 108.144 108.800 0.034 0.000 2.471 2026 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.211 2026 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.211 2026 G C 0.205 175.117 174.900 0.019 0.000 1.194 2026 G CA 0.408 45.528 45.100 0.033 0.000 0.816 2026 G HN 0.539 nan 8.290 nan 0.000 0.545 2027 D N 0.943 121.345 120.400 0.003 0.000 2.371 2027 D HA 0.233 4.873 4.640 -0.000 0.000 0.256 2027 D C -1.358 174.938 176.300 -0.008 0.000 1.193 2027 D CA -2.098 51.896 54.000 -0.010 0.000 0.881 2027 D CB 1.701 42.489 40.800 -0.019 0.000 1.143 2027 D HN -0.053 nan 8.370 nan 0.000 0.473 2028 P HA -0.149 nan 4.420 nan 0.000 0.217 2028 P C 0.917 178.208 177.300 -0.014 0.000 1.148 2028 P CA 1.038 64.144 63.100 0.010 0.000 0.828 2028 P CB 0.237 31.942 31.700 0.009 0.000 0.783 2029 E N -0.602 119.582 120.200 -0.027 0.000 2.160 2029 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 2029 E C 1.825 178.377 176.600 -0.079 0.000 0.991 2029 E CA 1.051 57.425 56.400 -0.045 0.000 0.810 2029 E CB -0.336 29.342 29.700 -0.037 0.000 0.742 2029 E HN 0.168 nan 8.360 nan 0.000 0.466 2030 R N 0.429 120.888 120.500 -0.069 0.000 2.276 2030 R HA 0.010 4.350 4.340 -0.000 0.000 0.203 2030 R C 2.196 178.418 176.300 -0.130 0.000 1.017 2030 R CA 0.095 56.143 56.100 -0.087 0.000 1.010 2030 R CB -0.636 29.632 30.300 -0.052 0.000 0.900 2030 R HN 0.012 nan 8.270 nan 0.000 0.469 2031 V N 0.605 120.436 119.914 -0.139 0.000 2.233 2031 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 2031 V C 2.255 178.083 176.094 -0.443 0.000 1.050 2031 V CA 2.238 64.423 62.300 -0.193 0.000 1.010 2031 V CB -0.418 31.345 31.823 -0.101 0.000 0.637 2031 V HN 0.415 nan 8.190 nan 0.000 0.444 2032 E N 0.244 120.018 120.200 -0.709 0.000 2.077 2032 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 2032 E C 2.255 178.479 176.600 -0.626 0.000 0.989 2032 E CA 1.403 57.109 56.400 -1.158 0.000 0.800 2032 E CB -0.071 28.950 29.700 -1.131 0.000 0.746 2032 E HN 0.603 nan 8.360 nan 0.000 0.452 2033 K N 0.154 120.335 120.400 -0.366 0.000 2.152 2033 K HA -0.153 4.166 4.320 -0.000 0.000 0.206 2033 K C 2.177 178.668 176.600 -0.180 0.000 1.048 2033 K CA 1.463 57.617 56.287 -0.222 0.000 0.933 2033 K CB -0.149 32.264 32.500 -0.146 0.000 0.721 2033 K HN 0.288 nan 8.250 nan 0.000 0.447 2034 I N 0.740 121.200 120.570 -0.183 0.000 2.353 2034 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 2034 I C 2.443 178.497 176.117 -0.105 0.000 1.119 2034 I CA 0.791 62.022 61.300 -0.116 0.000 1.417 2034 I CB -0.270 37.679 38.000 -0.085 0.000 1.078 2034 I HN 0.106 nan 8.210 nan 0.000 0.421 2035 A N 0.703 123.428 122.820 -0.159 0.000 2.014 2035 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 2035 A C 2.460 180.016 177.584 -0.047 0.000 1.163 2035 A CA 1.318 53.316 52.037 -0.066 0.000 0.652 2035 A CB -0.557 18.440 19.000 -0.004 0.000 0.808 2035 A HN 0.396 nan 8.150 nan 0.000 0.449 2036 A N -0.324 122.422 122.820 -0.125 0.000 2.067 2036 A HA 0.080 4.400 4.320 -0.000 0.000 0.219 2036 A C 1.790 179.355 177.584 -0.033 0.000 1.158 2036 A CA 0.990 52.984 52.037 -0.071 0.000 0.661 2036 A CB -0.424 18.507 19.000 -0.114 0.000 0.801 2036 A HN 0.458 nan 8.150 nan 0.000 0.452 2037 L N -1.305 119.896 121.223 -0.037 0.000 2.599 2037 L HA 0.138 4.477 4.340 -0.000 0.000 0.230 2037 L C 1.082 177.948 176.870 -0.007 0.000 1.141 2037 L CA 0.074 54.902 54.840 -0.020 0.000 0.877 2037 L CB -0.463 41.582 42.059 -0.024 0.000 1.009 2037 L HN 0.470 nan 8.230 nan 0.000 0.447 2038 M N -1.617 117.985 119.600 0.003 0.000 2.532 2038 M HA 0.332 4.812 4.480 -0.000 0.000 0.257 2038 M C -0.723 175.592 176.300 0.025 0.000 0.941 2038 M CA -0.700 54.608 55.300 0.013 0.000 1.206 2038 M CB 0.985 33.596 32.600 0.018 0.000 1.472 2038 M HN -0.176 nan 8.290 nan 0.000 0.665 2039 D N 1.232 121.649 120.400 0.029 0.000 2.185 2039 D HA 0.217 4.857 4.640 -0.000 0.000 0.247 2039 D C -0.709 175.618 176.300 0.046 0.000 1.027 2039 D CA -0.218 53.801 54.000 0.032 0.000 0.861 2039 D CB 1.213 42.025 40.800 0.020 0.000 1.202 2039 D HN 0.323 nan 8.370 nan 0.000 0.453 2040 K N 0.682 121.111 120.400 0.048 0.000 3.730 2040 K HA -0.122 4.198 4.320 -0.000 0.000 0.276 2040 K C -2.399 174.251 176.600 0.084 0.000 0.904 2040 K CA 0.231 56.550 56.287 0.053 0.000 0.741 2040 K CB -1.672 30.846 32.500 0.030 0.000 1.542 2040 K HN 0.434 nan 8.250 nan 0.000 0.446 2041 P HA 0.257 nan 4.420 nan 0.000 0.282 2041 P C -0.324 177.128 177.300 0.253 0.000 1.262 2041 P CA -0.334 62.932 63.100 0.276 0.000 0.773 2041 P CB 1.175 33.071 31.700 0.327 0.000 0.879 2042 V N 3.510 123.477 119.914 0.089 0.000 2.760 2042 V HA 0.300 4.420 4.120 -0.000 0.000 0.309 2042 V C 0.298 175.911 176.094 -0.802 0.000 1.077 2042 V CA -1.058 61.064 62.300 -0.297 0.000 0.910 2042 V CB 2.120 33.837 31.823 -0.176 0.000 1.008 2042 V HN 0.440 nan 8.190 nan 0.000 0.424 2043 K N 2.828 122.386 120.400 -1.405 0.000 2.401 2043 K HA 0.362 4.681 4.320 -0.000 0.000 0.278 2043 K C 0.183 176.371 176.600 -0.686 0.000 1.018 2043 K CA 0.287 55.618 56.287 -1.593 0.000 0.981 2043 K CB 0.568 32.381 32.500 -1.146 0.000 0.933 2043 K HN 0.644 nan 8.250 nan 0.000 0.477 2044 L N 2.071 123.002 121.223 -0.486 0.000 2.453 2044 L HA 0.438 4.778 4.340 -0.000 0.000 0.190 2044 L C 0.404 177.176 176.870 -0.163 0.000 1.093 2044 L CA 0.286 54.991 54.840 -0.225 0.000 0.834 2044 L CB 0.202 42.196 42.059 -0.107 0.000 1.090 2044 L HN 0.801 nan 8.230 nan 0.000 0.489 2045 A N -1.183 121.553 122.820 -0.140 0.000 2.564 2045 A HA 0.642 4.962 4.320 -0.000 0.000 0.291 2045 A C -1.252 176.230 177.584 -0.171 0.000 1.102 2045 A CA -0.253 51.687 52.037 -0.162 0.000 0.660 2045 A CB 1.724 20.669 19.000 -0.091 0.000 1.283 2045 A HN -0.120 nan 8.150 nan 0.000 0.430 2046 S N 0.309 115.768 115.700 -0.402 0.000 2.653 2046 S HA 0.590 5.060 4.470 -0.000 0.000 0.268 2046 S C -2.078 172.227 174.600 -0.492 0.000 1.153 2046 S CA -0.472 57.568 58.200 -0.267 0.000 1.036 2046 S CB 0.321 63.453 63.200 -0.114 0.000 1.103 2046 S HN 0.778 nan 8.310 nan 0.000 0.466 2047 H N 4.265 123.402 119.070 0.112 0.000 3.108 2047 H HA 0.539 5.095 4.556 -0.000 0.000 0.329 2047 H C 0.501 175.869 175.328 0.066 0.000 0.978 2047 H CA -0.312 55.794 56.048 0.097 0.000 1.413 2047 H CB 1.252 31.096 29.762 0.135 0.000 1.670 2047 H HN 0.813 nan 8.280 nan 0.000 0.512 2048 R N 0.369 120.917 120.500 0.081 0.000 3.860 2048 R HA -0.192 4.148 4.340 -0.000 0.000 0.460 2048 R C 0.373 176.557 176.300 -0.194 0.000 0.241 2048 R CA 0.836 56.890 56.100 -0.076 0.000 1.452 2048 R CB -0.645 29.588 30.300 -0.112 0.000 1.021 2048 R HN 0.496 nan 8.270 nan 0.000 0.555 2049 E N 1.091 121.024 120.200 -0.445 0.000 2.512 2049 E HA 0.029 4.379 4.350 -0.000 0.000 0.195 2049 E C 0.024 176.455 176.600 -0.282 0.000 1.083 2049 E CA 0.805 56.984 56.400 -0.369 0.000 0.873 2049 E CB -0.186 29.301 29.700 -0.356 0.000 0.897 2049 E HN 0.245 nan 8.360 nan 0.000 0.514 2050 F N 1.405 121.405 119.950 0.085 0.000 2.329 2050 F HA 0.161 4.687 4.527 -0.000 0.000 0.362 2050 F C 0.739 176.584 175.800 0.075 0.000 1.113 2050 F CA -0.824 57.231 58.000 0.092 0.000 1.212 2050 F CB 0.550 39.626 39.000 0.127 0.000 1.509 2050 F HN -0.301 nan 8.300 nan 0.000 0.546 2051 T N -0.440 114.242 114.554 0.213 0.000 2.772 2051 T HA 0.559 4.909 4.350 -0.000 0.000 0.288 2051 T C -0.157 174.686 174.700 0.238 0.000 0.994 2051 T CA -0.721 61.484 62.100 0.175 0.000 0.951 2051 T CB 1.224 70.186 68.868 0.156 0.000 0.933 2051 T HN 0.400 nan 8.240 nan 0.000 0.447 2052 S N 3.161 118.989 115.700 0.213 0.000 2.501 2052 S HA 0.798 5.268 4.470 -0.000 0.000 0.301 2052 S C -1.242 173.521 174.600 0.272 0.000 1.096 2052 S CA -0.937 57.402 58.200 0.231 0.000 1.063 2052 S CB 0.758 64.042 63.200 0.141 0.000 1.042 2052 S HN 0.808 nan 8.310 nan 0.000 0.494 2053 W N 0.941 122.250 121.300 0.014 0.000 2.882 2053 W HA 0.658 5.318 4.660 -0.001 0.000 0.345 2053 W C 0.105 176.625 176.519 0.002 0.000 1.125 2053 W CA -0.833 56.515 57.345 0.004 0.000 1.167 2053 W CB 1.839 31.301 29.460 0.003 0.000 1.431 2053 W HN 0.699 nan 8.180 nan 0.000 0.543 2054 R N 1.806 122.419 120.500 0.189 0.000 2.532 2054 R HA 0.804 5.144 4.340 -0.000 0.000 0.297 2054 R C -0.924 175.449 176.300 0.121 0.000 0.984 2054 R CA -0.320 55.846 56.100 0.109 0.000 0.884 2054 R CB 1.331 31.649 30.300 0.030 0.000 1.182 2054 R HN 0.627 nan 8.270 nan 0.000 0.442 2055 A N 3.213 126.094 122.820 0.102 0.000 2.475 2055 A HA 0.608 4.928 4.320 -0.000 0.000 0.281 2055 A C -1.272 176.339 177.584 0.044 0.000 1.263 2055 A CA -0.684 51.405 52.037 0.085 0.000 0.776 2055 A CB 1.673 20.732 19.000 0.097 0.000 1.347 2055 A HN 0.718 nan 8.150 nan 0.000 0.443 2056 E N -0.658 119.563 120.200 0.035 0.000 2.238 2056 E HA 0.532 4.882 4.350 -0.000 0.000 0.267 2056 E C -2.092 174.515 176.600 0.013 0.000 0.887 2056 E CA -0.674 55.737 56.400 0.018 0.000 0.769 2056 E CB 2.202 31.911 29.700 0.015 0.000 1.187 2056 E HN 0.346 nan 8.360 nan 0.000 0.416 2057 L N 3.886 125.112 121.223 0.004 0.000 2.415 2057 L HA 0.304 4.644 4.340 -0.000 0.000 0.268 2057 L C -1.352 175.516 176.870 -0.004 0.000 0.984 2057 L CA -0.222 54.618 54.840 -0.001 0.000 0.853 2057 L CB 0.909 42.965 42.059 -0.005 0.000 1.215 2057 L HN 0.517 nan 8.230 nan 0.000 0.419 2058 D N 4.311 124.709 120.400 -0.003 0.000 2.708 2058 D HA -0.148 4.492 4.640 -0.000 0.000 0.236 2058 D C 1.202 177.499 176.300 -0.004 0.000 1.146 2058 D CA 1.700 55.698 54.000 -0.004 0.000 0.662 2058 D CB -1.203 39.593 40.800 -0.007 0.000 1.059 2058 D HN 1.185 nan 8.370 nan 0.000 0.428 2059 G N -1.262 107.537 108.800 -0.002 0.000 2.225 2059 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.254 2059 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.254 2059 G C 0.301 175.198 174.900 -0.004 0.000 0.988 2059 G CA 0.588 45.686 45.100 -0.002 0.000 0.625 2059 G HN 0.521 nan 8.290 nan 0.000 0.527 2060 K N 0.792 121.189 120.400 -0.006 0.000 2.182 2060 K HA 0.745 5.065 4.320 -0.000 0.000 0.262 2060 K C 0.393 176.989 176.600 -0.007 0.000 0.957 2060 K CA 0.014 56.296 56.287 -0.009 0.000 0.842 2060 K CB 2.001 34.493 32.500 -0.014 0.000 1.099 2060 K HN 0.536 nan 8.250 nan 0.000 0.438 2061 A N 2.041 124.856 122.820 -0.008 0.000 2.440 2061 A HA 0.427 4.747 4.320 -0.000 0.000 0.251 2061 A C -0.116 177.461 177.584 -0.011 0.000 1.089 2061 A CA -0.423 51.611 52.037 -0.004 0.000 0.779 2061 A CB 0.048 19.045 19.000 -0.005 0.000 1.022 2061 A HN 0.579 nan 8.150 nan 0.000 0.492 2062 V N 0.727 120.640 119.914 -0.001 0.000 2.876 2062 V HA 0.825 4.945 4.120 -0.000 0.000 0.312 2062 V C -0.855 175.247 176.094 0.012 0.000 1.085 2062 V CA -0.960 61.334 62.300 -0.010 0.000 0.945 2062 V CB 1.538 33.355 31.823 -0.010 0.000 1.017 2062 V HN 0.631 nan 8.190 nan 0.000 0.428 2063 I N 3.507 124.078 120.570 0.000 0.000 2.460 2063 I HA 0.664 4.834 4.170 -0.000 0.000 0.298 2063 I C -0.177 175.969 176.117 0.049 0.000 0.989 2063 I CA -0.429 60.892 61.300 0.035 0.000 1.173 2063 I CB 2.053 40.064 38.000 0.018 0.000 1.338 2063 I HN 0.594 nan 8.210 nan 0.000 0.456 2064 V N 5.298 125.272 119.914 0.100 0.000 2.378 2064 V HA 0.446 4.566 4.120 -0.000 0.000 0.288 2064 V C -0.741 175.431 176.094 0.131 0.000 1.016 2064 V CA -0.509 61.845 62.300 0.091 0.000 0.840 2064 V CB 1.463 33.326 31.823 0.066 0.000 0.994 2064 V HN 0.846 nan 8.190 nan 0.000 0.431 2065 C N 5.041 124.415 119.300 0.123 0.000 2.482 2065 C HA 0.735 5.195 4.460 -0.000 0.000 0.317 2065 C C 0.636 175.720 174.990 0.157 0.000 1.197 2065 C CA -0.431 58.680 59.018 0.156 0.000 1.432 2065 C CB 1.371 29.204 27.740 0.156 0.000 2.062 2065 C HN 1.013 nan 8.230 nan 0.000 0.471 2066 S N 3.145 118.948 115.700 0.172 0.000 2.592 2066 S HA 0.424 4.893 4.470 -0.000 0.000 0.271 2066 S C 0.850 175.597 174.600 0.246 0.000 1.326 2066 S CA 0.356 58.649 58.200 0.155 0.000 1.024 2066 S CB 1.352 64.618 63.200 0.110 0.000 0.921 2066 S HN 0.977 nan 8.310 nan 0.000 0.527 2067 T N -1.573 113.099 114.554 0.196 0.000 2.999 2067 T HA 0.580 4.930 4.350 -0.000 0.000 0.247 2067 T C 1.169 175.991 174.700 0.203 0.000 1.012 2067 T CA 0.419 62.677 62.100 0.265 0.000 1.048 2067 T CB -0.649 68.309 68.868 0.149 0.000 1.020 2067 T HN 1.910 nan 8.240 nan 0.000 0.478 2068 G N 1.322 110.164 108.800 0.069 0.000 2.500 2068 G HA2 0.018 3.978 3.960 -0.000 0.000 0.209 2068 G HA3 0.018 3.978 3.960 -0.000 0.000 0.209 2068 G C -1.106 173.798 174.900 0.008 0.000 1.283 2068 G CA -0.576 44.515 45.100 -0.014 0.000 0.960 2068 G HN 0.572 nan 8.290 nan 0.000 0.528 2069 I N 2.162 122.725 120.570 -0.011 0.000 2.331 2069 I HA 0.571 4.741 4.170 -0.000 0.000 0.292 2069 I C 0.976 177.101 176.117 0.013 0.000 0.998 2069 I CA 0.644 61.945 61.300 0.001 0.000 1.267 2069 I CB 0.880 38.871 38.000 -0.015 0.000 1.386 2069 I HN 2.106 nan 8.210 nan 0.000 0.476 2070 G N 3.850 112.663 108.800 0.022 0.000 2.662 2070 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.686 2070 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.686 2070 G C 0.489 175.403 174.900 0.023 0.000 1.271 2070 G CA -0.397 44.716 45.100 0.022 0.000 0.816 2070 G HN 0.908 nan 8.290 nan 0.000 0.608 2071 G N -0.047 108.761 108.800 0.014 0.000 2.394 2071 G HA2 0.170 4.130 3.960 -0.000 0.000 0.215 2071 G HA3 0.170 4.130 3.960 -0.000 0.000 0.215 2071 G C 0.096 175.004 174.900 0.013 0.000 1.165 2071 G CA 1.807 46.912 45.100 0.009 0.000 0.784 2071 G HN 0.675 nan 8.290 nan 0.000 0.535 2072 P HA -0.086 nan 4.420 nan 0.000 0.216 2072 P C 2.271 179.599 177.300 0.048 0.000 1.153 2072 P CA 1.618 64.720 63.100 0.004 0.000 0.858 2072 P CB 0.012 31.709 31.700 -0.006 0.000 0.789 2073 S N -1.770 113.976 115.700 0.077 0.000 2.368 2073 S HA -0.111 4.359 4.470 -0.000 0.000 0.224 2073 S C 1.887 176.606 174.600 0.199 0.000 1.029 2073 S CA 1.792 60.096 58.200 0.173 0.000 0.988 2073 S CB -1.206 62.063 63.200 0.114 0.000 0.838 2073 S HN 0.162 nan 8.310 nan 0.000 0.462 2074 T N 1.873 116.486 114.554 0.098 0.000 2.746 2074 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 2074 T C 2.189 176.867 174.700 -0.035 0.000 1.039 2074 T CA 1.664 63.788 62.100 0.040 0.000 1.142 2074 T CB -0.588 68.276 68.868 -0.007 0.000 0.866 2074 T HN 0.684 nan 8.240 nan 0.000 0.444 2075 S N 1.257 116.945 115.700 -0.021 0.000 2.419 2075 S HA -0.051 4.419 4.470 -0.000 0.000 0.235 2075 S C 2.018 176.585 174.600 -0.055 0.000 1.019 2075 S CA 0.869 59.056 58.200 -0.022 0.000 0.982 2075 S CB -0.747 62.528 63.200 0.124 0.000 0.789 2075 S HN 0.521 nan 8.310 nan 0.000 0.490 2076 I N 1.618 122.129 120.570 -0.098 0.000 2.406 2076 I HA 0.003 4.173 4.170 -0.000 0.000 0.249 2076 I C 3.003 178.925 176.117 -0.325 0.000 1.122 2076 I CA 0.884 62.041 61.300 -0.238 0.000 1.431 2076 I CB -0.544 37.220 38.000 -0.393 0.000 1.087 2076 I HN 0.417 nan 8.210 nan 0.000 0.424 2077 A N 0.565 123.177 122.820 -0.346 0.000 1.873 2077 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 2077 A C 2.406 179.922 177.584 -0.113 0.000 1.186 2077 A CA 1.472 53.333 52.037 -0.293 0.000 0.616 2077 A CB -0.890 18.027 19.000 -0.138 0.000 0.823 2077 A HN 0.190 nan 8.150 nan 0.000 0.442 2078 V N 0.377 120.187 119.914 -0.175 0.000 2.233 2078 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 2078 V C 2.622 178.633 176.094 -0.138 0.000 1.050 2078 V CA 2.586 64.686 62.300 -0.332 0.000 1.010 2078 V CB -0.916 30.521 31.823 -0.642 0.000 0.637 2078 V HN 0.768 nan 8.190 nan 0.000 0.444 2079 E N 0.993 121.112 120.200 -0.135 0.000 2.035 2079 E HA -0.287 4.063 4.350 -0.000 0.000 0.204 2079 E C 2.087 178.696 176.600 0.015 0.000 1.025 2079 E CA 2.394 58.770 56.400 -0.041 0.000 0.835 2079 E CB -0.473 29.223 29.700 -0.006 0.000 0.764 2079 E HN 0.678 nan 8.360 nan 0.000 0.457 2080 E N -0.164 120.030 120.200 -0.010 0.000 2.110 2080 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 2080 E C 2.358 178.987 176.600 0.049 0.000 0.988 2080 E CA 1.085 57.495 56.400 0.016 0.000 0.804 2080 E CB -0.194 29.493 29.700 -0.021 0.000 0.745 2080 E HN 0.334 nan 8.360 nan 0.000 0.458 2081 L N 0.370 121.644 121.223 0.085 0.000 2.093 2081 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 2081 L C 2.464 179.428 176.870 0.158 0.000 1.085 2081 L CA 0.797 55.721 54.840 0.141 0.000 0.755 2081 L CB -0.255 41.968 42.059 0.273 0.000 0.904 2081 L HN 0.130 nan 8.230 nan 0.000 0.435 2082 A N -1.022 121.937 122.820 0.232 0.000 2.066 2082 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 2082 A C 2.156 179.796 177.584 0.093 0.000 1.157 2082 A CA 0.979 53.133 52.037 0.195 0.000 0.670 2082 A CB -0.240 18.889 19.000 0.214 0.000 0.804 2082 A HN 0.447 nan 8.150 nan 0.000 0.453 2083 Q N -0.571 119.274 119.800 0.075 0.000 2.172 2083 Q HA 0.060 4.400 4.340 -0.000 0.000 0.200 2083 Q C 1.558 177.583 176.000 0.042 0.000 0.964 2083 Q CA 0.840 56.674 55.803 0.053 0.000 0.855 2083 Q CB -0.152 28.617 28.738 0.052 0.000 0.918 2083 Q HN 0.664 nan 8.270 nan 0.000 0.444 2084 L N -1.195 120.053 121.223 0.041 0.000 2.554 2084 L HA 0.086 4.425 4.340 -0.000 0.000 0.226 2084 L C 1.215 178.092 176.870 0.012 0.000 1.137 2084 L CA 0.682 55.538 54.840 0.026 0.000 0.863 2084 L CB 0.144 42.218 42.059 0.025 0.000 0.985 2084 L HN 0.430 nan 8.230 nan 0.000 0.451 2085 G N -0.515 108.293 108.800 0.013 0.000 2.229 2085 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.189 2085 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.189 2085 G C 0.237 175.114 174.900 -0.038 0.000 1.000 2085 G CA -0.697 44.400 45.100 -0.005 0.000 0.663 2085 G HN 0.044 nan 8.290 nan 0.000 0.493 2086 I N 1.584 122.116 120.570 -0.065 0.000 2.668 2086 I HA 0.223 4.393 4.170 -0.000 0.000 0.285 2086 I C 1.326 177.328 176.117 -0.191 0.000 1.168 2086 I CA 0.483 61.651 61.300 -0.219 0.000 1.424 2086 I CB 0.798 38.556 38.000 -0.403 0.000 1.377 2086 I HN 0.118 nan 8.210 nan 0.000 0.560 2087 R N 3.283 123.655 120.500 -0.214 0.000 2.446 2087 R HA 0.201 4.540 4.340 -0.000 0.000 0.254 2087 R C -0.193 176.048 176.300 -0.099 0.000 0.918 2087 R CA 0.201 56.254 56.100 -0.078 0.000 1.069 2087 R CB 0.569 30.848 30.300 -0.034 0.000 1.194 2087 R HN 0.540 nan 8.270 nan 0.000 0.534 2088 T N 0.974 115.345 114.554 -0.306 0.000 2.881 2088 T HA 0.588 4.938 4.350 -0.000 0.000 0.290 2088 T C -0.966 173.474 174.700 -0.434 0.000 1.000 2088 T CA -0.323 61.657 62.100 -0.201 0.000 0.978 2088 T CB 1.436 70.231 68.868 -0.121 0.000 0.997 2088 T HN -0.174 nan 8.240 nan 0.000 0.443 2089 F N 2.186 122.129 119.950 -0.013 0.000 2.520 2089 F HA 0.644 5.171 4.527 -0.000 0.000 0.322 2089 F C -0.334 175.460 175.800 -0.011 0.000 1.103 2089 F CA -1.134 56.858 58.000 -0.013 0.000 0.926 2089 F CB 1.588 40.575 39.000 -0.022 0.000 1.154 2089 F HN 0.212 nan 8.300 nan 0.000 0.453 2090 L N 3.786 125.097 121.223 0.146 0.000 2.377 2090 L HA 0.497 4.837 4.340 -0.000 0.000 0.270 2090 L C -0.357 176.562 176.870 0.082 0.000 0.991 2090 L CA -0.639 54.250 54.840 0.083 0.000 0.851 2090 L CB 1.944 44.022 42.059 0.032 0.000 1.218 2090 L HN 0.583 nan 8.230 nan 0.000 0.420 2091 R N 3.762 124.304 120.500 0.071 0.000 2.265 2091 R HA 0.483 4.823 4.340 -0.000 0.000 0.314 2091 R C -0.815 175.506 176.300 0.035 0.000 1.053 2091 R CA -0.368 55.765 56.100 0.055 0.000 0.931 2091 R CB 1.082 31.407 30.300 0.042 0.000 1.024 2091 R HN 0.466 nan 8.270 nan 0.000 0.457 2092 I N 3.737 124.326 120.570 0.031 0.000 2.493 2092 I HA 0.684 4.854 4.170 -0.000 0.000 0.298 2092 I C -0.440 175.689 176.117 0.020 0.000 0.998 2092 I CA -0.020 61.293 61.300 0.021 0.000 1.137 2092 I CB 1.566 39.575 38.000 0.015 0.000 1.310 2092 I HN 0.870 nan 8.210 nan 0.000 0.445 2093 G N 4.365 113.176 108.800 0.018 0.000 2.550 2093 G HA2 0.584 4.544 3.960 -0.000 0.000 0.293 2093 G HA3 0.584 4.544 3.960 -0.000 0.000 0.293 2093 G C -1.302 173.608 174.900 0.017 0.000 1.402 2093 G CA -0.331 44.780 45.100 0.017 0.000 0.784 2093 G HN 0.678 nan 8.290 nan 0.000 0.482 2094 T N -2.526 112.039 114.554 0.018 0.000 2.908 2094 T HA 0.832 5.182 4.350 -0.000 0.000 0.290 2094 T C -0.278 174.436 174.700 0.023 0.000 1.034 2094 T CA -0.424 61.686 62.100 0.018 0.000 1.010 2094 T CB 2.223 71.099 68.868 0.012 0.000 1.068 2094 T HN 1.221 nan 8.240 nan 0.000 0.481 2095 T N -0.509 114.058 114.554 0.021 0.000 2.711 2095 T HA 0.698 5.048 4.350 -0.000 0.000 0.302 2095 T C 0.346 175.055 174.700 0.015 0.000 1.373 2095 T CA 0.038 62.151 62.100 0.022 0.000 1.000 2095 T CB 1.079 69.956 68.868 0.016 0.000 1.483 2095 T HN 1.051 nan 8.240 nan 0.000 0.499 2096 G N 0.361 109.168 108.800 0.011 0.000 2.773 2096 G HA2 0.805 4.765 3.960 -0.000 0.000 0.186 2096 G HA3 0.805 4.765 3.960 -0.000 0.000 0.186 2096 G C -0.368 174.524 174.900 -0.013 0.000 1.411 2096 G CA -0.161 44.940 45.100 0.003 0.000 1.054 2096 G HN 1.469 nan 8.290 nan 0.000 0.579 2097 A N -1.451 121.357 122.820 -0.020 0.000 2.585 2097 A HA 0.453 4.773 4.320 -0.000 0.000 0.299 2097 A C -0.053 177.500 177.584 -0.052 0.000 1.047 2097 A CA -0.100 51.899 52.037 -0.064 0.000 0.723 2097 A CB 0.283 19.222 19.000 -0.102 0.000 1.275 2097 A HN 1.277 nan 8.150 nan 0.000 0.408 2098 I N -1.914 118.607 120.570 -0.081 0.000 4.018 2098 I HA 0.293 4.463 4.170 -0.000 0.000 0.337 2098 I C -0.174 175.905 176.117 -0.062 0.000 1.327 2098 I CA -0.045 61.230 61.300 -0.042 0.000 1.100 2098 I CB 0.295 38.268 38.000 -0.045 0.000 1.025 2098 I HN 0.391 nan 8.210 nan 0.000 0.396 2099 Q N 2.840 122.551 119.800 -0.148 0.000 2.256 2099 Q HA 0.377 4.717 4.340 -0.000 0.000 0.257 2099 Q C -1.827 174.054 176.000 -0.197 0.000 0.936 2099 Q CA -2.121 53.559 55.803 -0.204 0.000 0.903 2099 Q CB 2.050 30.482 28.738 -0.510 0.000 1.263 2099 Q HN 0.048 nan 8.270 nan 0.000 0.440 2100 P HA -0.120 nan 4.420 nan 0.000 0.225 2100 P C 0.552 177.872 177.300 0.034 0.000 1.156 2100 P CA 1.267 64.380 63.100 0.021 0.000 0.787 2100 P CB 0.229 31.980 31.700 0.085 0.000 0.802 2101 H N -1.044 117.996 119.070 -0.050 0.000 2.533 2101 H HA 0.190 4.746 4.556 -0.000 0.000 0.271 2101 H C 0.417 175.701 175.328 -0.073 0.000 1.000 2101 H CA -0.288 55.737 56.048 -0.038 0.000 1.149 2101 H CB -0.351 29.397 29.762 -0.023 0.000 1.375 2101 H HN 0.083 nan 8.280 nan 0.000 0.582 2102 I N 2.859 123.235 120.570 -0.322 0.000 2.339 2102 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 2102 I C -0.210 175.872 176.117 -0.059 0.000 0.994 2102 I CA -0.745 60.399 61.300 -0.259 0.000 1.191 2102 I CB 1.072 38.839 38.000 -0.388 0.000 1.343 2102 I HN 0.090 nan 8.210 nan 0.000 0.458 2103 N N 4.535 123.262 118.700 0.044 0.000 2.404 2103 N HA 0.301 5.041 4.740 -0.000 0.000 0.297 2103 N C -0.286 175.249 175.510 0.042 0.000 1.163 2103 N CA -0.640 52.434 53.050 0.038 0.000 0.864 2103 N CB 2.814 41.334 38.487 0.054 0.000 1.247 2103 N HN 0.346 nan 8.380 nan 0.000 0.510 2104 V N 0.682 120.611 119.914 0.026 0.000 2.814 2104 V HA 0.198 4.318 4.120 -0.000 0.000 0.307 2104 V C 1.385 177.497 176.094 0.030 0.000 1.089 2104 V CA 1.986 64.299 62.300 0.022 0.000 1.212 2104 V CB -0.200 31.630 31.823 0.011 0.000 0.912 2104 V HN 1.039 nan 8.190 nan 0.000 0.497 2105 G N 4.100 112.917 108.800 0.027 0.000 2.217 2105 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.246 2105 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.246 2105 G C -0.036 174.912 174.900 0.080 0.000 0.990 2105 G CA 0.237 45.359 45.100 0.037 0.000 0.627 2105 G HN 0.832 nan 8.290 nan 0.000 0.522 2106 D N 0.123 120.572 120.400 0.081 0.000 2.357 2106 D HA 0.521 5.161 4.640 -0.000 0.000 0.242 2106 D C 0.531 176.886 176.300 0.093 0.000 1.153 2106 D CA 0.010 54.070 54.000 0.101 0.000 0.918 2106 D CB 1.735 42.648 40.800 0.187 0.000 1.181 2106 D HN 0.192 nan 8.370 nan 0.000 0.435 2107 V N 2.091 122.047 119.914 0.069 0.000 2.483 2107 V HA 0.391 4.511 4.120 -0.000 0.000 0.295 2107 V C 0.034 176.170 176.094 0.070 0.000 1.035 2107 V CA -0.746 61.587 62.300 0.054 0.000 0.896 2107 V CB 1.463 33.298 31.823 0.021 0.000 0.986 2107 V HN 0.282 nan 8.190 nan 0.000 0.447 2108 L N 4.838 126.098 121.223 0.062 0.000 2.333 2108 L HA 0.658 4.998 4.340 -0.000 0.000 0.280 2108 L C -0.937 175.954 176.870 0.036 0.000 1.004 2108 L CA -0.762 54.117 54.840 0.064 0.000 0.820 2108 L CB 2.078 44.165 42.059 0.045 0.000 1.247 2108 L HN 0.340 nan 8.230 nan 0.000 0.416 2109 V N 1.688 121.623 119.914 0.035 0.000 2.376 2109 V HA 0.278 4.398 4.120 -0.000 0.000 0.287 2109 V C 0.089 176.195 176.094 0.020 0.000 1.015 2109 V CA -0.484 61.828 62.300 0.019 0.000 0.834 2109 V CB 1.784 33.612 31.823 0.009 0.000 1.001 2109 V HN 0.743 nan 8.190 nan 0.000 0.428 2110 T N 3.123 117.684 114.554 0.012 0.000 2.761 2110 T HA 0.172 4.522 4.350 -0.000 0.000 0.296 2110 T C 1.388 176.097 174.700 0.013 0.000 0.934 2110 T CA 0.217 62.320 62.100 0.006 0.000 1.091 2110 T CB 1.107 69.972 68.868 -0.005 0.000 0.896 2110 T HN 0.924 nan 8.240 nan 0.000 0.515 2111 T N 0.408 114.973 114.554 0.018 0.000 3.014 2111 T HA 0.490 4.839 4.350 -0.000 0.000 0.263 2111 T C 0.719 175.433 174.700 0.025 0.000 1.078 2111 T CA 0.270 62.389 62.100 0.033 0.000 1.135 2111 T CB 0.116 69.008 68.868 0.040 0.000 0.895 2111 T HN 0.839 nan 8.240 nan 0.000 0.480 2112 A N 0.504 123.327 122.820 0.005 0.000 2.522 2112 A HA 0.656 4.976 4.320 -0.000 0.000 0.291 2112 A C -0.980 176.587 177.584 -0.028 0.000 1.039 2112 A CA -0.512 51.523 52.037 -0.003 0.000 0.643 2112 A CB 0.573 19.569 19.000 -0.006 0.000 1.310 2112 A HN 0.876 nan 8.150 nan 0.000 0.436 2113 S N -0.778 114.901 115.700 -0.035 0.000 2.588 2113 S HA 0.742 5.212 4.470 -0.000 0.000 0.275 2113 S C -0.688 173.853 174.600 -0.098 0.000 1.130 2113 S CA -0.656 57.498 58.200 -0.077 0.000 0.855 2113 S CB 1.105 64.264 63.200 -0.068 0.000 1.116 2113 S HN 1.544 nan 8.310 nan 0.000 0.472 2114 V N 1.803 121.603 119.914 -0.190 0.000 2.637 2114 V HA 0.280 4.400 4.120 -0.000 0.000 0.296 2114 V C 0.537 176.550 176.094 -0.135 0.000 1.046 2114 V CA -0.226 61.931 62.300 -0.238 0.000 1.066 2114 V CB 0.185 31.668 31.823 -0.568 0.000 0.968 2114 V HN 0.814 nan 8.190 nan 0.000 0.483 2115 R N 5.174 125.644 120.500 -0.050 0.000 2.593 2115 R HA 0.373 4.713 4.340 -0.000 0.000 0.282 2115 R C -0.148 176.192 176.300 0.067 0.000 1.300 2115 R CA -0.142 55.971 56.100 0.021 0.000 1.221 2115 R CB 0.123 30.458 30.300 0.059 0.000 1.157 2115 R HN 0.642 nan 8.270 nan 0.000 0.555 2116 L N 2.544 123.818 121.223 0.085 0.000 2.984 2116 L HA 0.157 4.497 4.340 -0.000 0.000 0.246 2116 L C 0.210 177.183 176.870 0.172 0.000 1.268 2116 L CA -0.262 54.702 54.840 0.206 0.000 1.054 2116 L CB -0.628 41.618 42.059 0.312 0.000 1.393 2116 L HN 0.567 nan 8.230 nan 0.000 0.532 2117 D N -1.351 119.119 120.400 0.116 0.000 2.668 2117 D HA 0.413 5.053 4.640 -0.000 0.000 0.249 2117 D C 0.693 177.047 176.300 0.090 0.000 1.150 2117 D CA -0.118 53.934 54.000 0.086 0.000 1.090 2117 D CB 1.747 42.580 40.800 0.054 0.000 1.244 2117 D HN -0.078 nan 8.370 nan 0.000 0.636 2118 G N -1.599 107.233 108.800 0.054 0.000 2.535 2118 G HA2 0.287 4.247 3.960 -0.000 0.000 0.191 2118 G HA3 0.287 4.247 3.960 -0.000 0.000 0.191 2118 G C 1.176 176.056 174.900 -0.033 0.000 1.242 2118 G CA 0.685 45.817 45.100 0.054 0.000 0.797 2118 G HN 0.625 nan 8.290 nan 0.000 0.863 2119 A N 1.822 124.569 122.820 -0.122 0.000 1.972 2119 A HA 0.010 4.330 4.320 -0.000 0.000 0.219 2119 A C 2.664 180.278 177.584 0.051 0.000 1.169 2119 A CA 2.572 54.463 52.037 -0.244 0.000 0.635 2119 A CB -0.691 18.260 19.000 -0.083 0.000 0.810 2119 A HN 0.916 nan 8.150 nan 0.000 0.446 2120 S N 0.199 115.983 115.700 0.139 0.000 2.383 2120 S HA -0.113 4.357 4.470 -0.000 0.000 0.229 2120 S C 1.684 176.429 174.600 0.242 0.000 1.030 2120 S CA 1.478 59.818 58.200 0.233 0.000 1.002 2120 S CB -0.753 62.529 63.200 0.137 0.000 0.829 2120 S HN 0.455 nan 8.310 nan 0.000 0.467 2121 L N 0.746 122.086 121.223 0.195 0.000 2.633 2121 L HA 0.040 4.380 4.340 -0.000 0.000 0.235 2121 L C 2.076 179.033 176.870 0.145 0.000 1.163 2121 L CA 0.840 55.785 54.840 0.175 0.000 0.859 2121 L CB -0.607 41.554 42.059 0.169 0.000 0.973 2121 L HN 0.528 nan 8.230 nan 0.000 0.451 2122 H N -2.047 116.922 119.070 -0.168 0.000 2.539 2122 H HA 0.063 4.619 4.556 -0.000 0.000 0.269 2122 H C 1.243 176.168 175.328 -0.672 0.000 0.980 2122 H CA 0.414 56.203 56.048 -0.431 0.000 1.152 2122 H CB 0.530 29.945 29.762 -0.578 0.000 1.407 2122 H HN 0.345 nan 8.280 nan 0.000 0.564 2123 F N -0.113 119.855 119.950 0.031 0.000 2.667 2123 F HA 0.430 4.957 4.527 -0.000 0.000 0.288 2123 F C 0.911 176.620 175.800 -0.152 0.000 1.086 2123 F CA -0.071 57.886 58.000 -0.071 0.000 1.297 2123 F CB 0.996 39.932 39.000 -0.106 0.000 1.059 2123 F HN -0.039 nan 8.300 nan 0.000 0.624 2124 A N -0.270 122.569 122.820 0.031 0.000 2.594 2124 A HA 0.698 5.018 4.320 -0.000 0.000 0.295 2124 A C -2.847 174.769 177.584 0.053 0.000 1.071 2124 A CA -1.633 50.362 52.037 -0.069 0.000 0.685 2124 A CB 0.613 19.385 19.000 -0.381 0.000 1.285 2124 A HN -0.192 nan 8.150 nan 0.000 0.405 2125 P HA 0.184 nan 4.420 nan 0.000 0.269 2125 P C 0.938 178.326 177.300 0.147 0.000 1.215 2125 P CA -0.323 62.839 63.100 0.103 0.000 0.780 2125 P CB 0.367 32.128 31.700 0.101 0.000 0.898 2126 M N 2.376 122.043 119.600 0.112 0.000 2.337 2126 M HA -0.196 4.283 4.480 -0.000 0.000 0.261 2126 M C 1.432 177.803 176.300 0.117 0.000 1.067 2126 M CA 1.670 57.038 55.300 0.113 0.000 1.074 2126 M CB -0.795 31.856 32.600 0.085 0.000 1.395 2126 M HN 0.352 nan 8.290 nan 0.000 0.431 2127 E N -1.131 119.138 120.200 0.115 0.000 2.427 2127 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 2127 E C 0.261 176.920 176.600 0.098 0.000 1.028 2127 E CA 0.101 56.554 56.400 0.087 0.000 0.864 2127 E CB -0.800 28.940 29.700 0.066 0.000 0.813 2127 E HN 0.485 nan 8.360 nan 0.000 0.514 2128 F N 4.597 124.566 119.950 0.031 0.000 2.456 2128 F HA 0.215 4.742 4.527 -0.000 0.000 0.358 2128 F C -2.031 173.785 175.800 0.026 0.000 1.095 2128 F CA -2.755 55.264 58.000 0.031 0.000 1.216 2128 F CB 0.728 39.753 39.000 0.042 0.000 1.125 2128 F HN -0.176 nan 8.300 nan 0.000 0.549 2129 P HA 0.138 nan 4.420 nan 0.000 0.276 2129 P C -1.173 176.172 177.300 0.075 0.000 1.243 2129 P CA -0.323 62.694 63.100 -0.138 0.000 0.768 2129 P CB 1.187 32.729 31.700 -0.263 0.000 0.856 2130 A N 4.376 127.263 122.820 0.112 0.000 3.063 2130 A HA 0.236 4.556 4.320 -0.000 0.000 0.263 2130 A C 0.356 177.980 177.584 0.067 0.000 1.736 2130 A CA -0.362 51.751 52.037 0.126 0.000 1.408 2130 A CB -0.911 18.133 19.000 0.074 0.000 1.108 2130 A HN 0.486 nan 8.150 nan 0.000 0.621 2131 V N 1.582 121.540 119.914 0.073 0.000 2.539 2131 V HA 0.678 4.798 4.120 -0.000 0.000 0.292 2131 V C 0.719 176.852 176.094 0.064 0.000 1.045 2131 V CA -0.143 62.182 62.300 0.042 0.000 0.945 2131 V CB 1.291 33.117 31.823 0.004 0.000 0.993 2131 V HN 0.883 nan 8.190 nan 0.000 0.464 2132 A N 4.872 127.725 122.820 0.056 0.000 2.313 2132 A HA 0.323 4.642 4.320 -0.000 0.000 0.261 2132 A C 0.220 177.856 177.584 0.086 0.000 1.090 2132 A CA -0.308 51.766 52.037 0.061 0.000 0.807 2132 A CB 0.210 19.239 19.000 0.048 0.000 1.055 2132 A HN 0.958 nan 8.150 nan 0.000 0.492 2133 D N 0.018 120.469 120.400 0.084 0.000 2.304 2133 D HA 0.077 4.717 4.640 -0.000 0.000 0.250 2133 D C 0.559 176.933 176.300 0.124 0.000 1.107 2133 D CA -0.318 53.746 54.000 0.107 0.000 0.885 2133 D CB 0.557 41.409 40.800 0.085 0.000 1.192 2133 D HN 0.385 nan 8.370 nan 0.000 0.436 2134 F N 4.097 124.057 119.950 0.017 0.000 2.126 2134 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 2134 F C 2.049 177.855 175.800 0.010 0.000 1.096 2134 F CA 1.774 59.780 58.000 0.011 0.000 1.255 2134 F CB -0.346 38.658 39.000 0.007 0.000 0.997 2134 F HN 0.517 nan 8.300 nan 0.000 0.479 2135 A N -0.746 122.002 122.820 -0.119 0.000 1.898 2135 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 2135 A C 2.372 179.847 177.584 -0.183 0.000 1.181 2135 A CA 1.686 53.601 52.037 -0.204 0.000 0.620 2135 A CB -1.626 17.349 19.000 -0.041 0.000 0.819 2135 A HN 0.545 nan 8.150 nan 0.000 0.442 2136 C N -1.110 118.134 119.300 -0.094 0.000 2.446 2136 C HA -0.056 4.404 4.460 -0.000 0.000 0.277 2136 C C 3.005 177.940 174.990 -0.091 0.000 1.275 2136 C CA 1.513 60.493 59.018 -0.064 0.000 1.727 2136 C CB -1.414 26.322 27.740 -0.007 0.000 2.010 2136 C HN 0.638 nan 8.230 nan 0.000 0.486 2137 T N 0.296 114.783 114.554 -0.111 0.000 2.867 2137 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 2137 T C 1.807 176.403 174.700 -0.172 0.000 1.057 2137 T CA 1.936 63.973 62.100 -0.104 0.000 1.136 2137 T CB -0.372 68.464 68.868 -0.053 0.000 0.874 2137 T HN 0.578 nan 8.240 nan 0.000 0.466 2138 T N 1.993 116.351 114.554 -0.325 0.000 2.701 2138 T HA 0.027 4.377 4.350 -0.000 0.000 0.263 2138 T C 2.454 177.041 174.700 -0.188 0.000 1.040 2138 T CA 1.124 63.022 62.100 -0.338 0.000 1.147 2138 T CB -0.567 67.969 68.868 -0.554 0.000 0.865 2138 T HN 0.410 nan 8.240 nan 0.000 0.426 2139 A N 1.065 123.787 122.820 -0.163 0.000 1.978 2139 A HA -0.034 4.286 4.320 -0.000 0.000 0.220 2139 A C 2.284 179.822 177.584 -0.077 0.000 1.170 2139 A CA 1.287 53.262 52.037 -0.103 0.000 0.636 2139 A CB -0.845 18.105 19.000 -0.083 0.000 0.810 2139 A HN 0.482 nan 8.150 nan 0.000 0.448 2140 L N -0.940 120.238 121.223 -0.074 0.000 2.072 2140 L HA -0.118 4.222 4.340 -0.000 0.000 0.205 2140 L C 2.518 179.357 176.870 -0.051 0.000 1.079 2140 L CA 0.911 55.720 54.840 -0.051 0.000 0.752 2140 L CB -0.453 41.583 42.059 -0.038 0.000 0.906 2140 L HN 0.247 nan 8.230 nan 0.000 0.436 2141 V N -0.398 119.479 119.914 -0.061 0.000 2.358 2141 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 2141 V C 2.502 178.564 176.094 -0.054 0.000 1.047 2141 V CA 1.476 63.745 62.300 -0.052 0.000 1.035 2141 V CB -0.452 31.341 31.823 -0.051 0.000 0.658 2141 V HN 0.420 nan 8.190 nan 0.000 0.452 2142 E N 0.581 120.743 120.200 -0.062 0.000 2.110 2142 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 2142 E C 2.344 178.914 176.600 -0.051 0.000 0.988 2142 E CA 1.511 57.878 56.400 -0.055 0.000 0.804 2142 E CB -0.512 29.152 29.700 -0.059 0.000 0.745 2142 E HN 0.579 nan 8.360 nan 0.000 0.458 2143 A N 1.569 124.358 122.820 -0.052 0.000 1.898 2143 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 2143 A C 2.417 179.969 177.584 -0.054 0.000 1.181 2143 A CA 1.818 53.826 52.037 -0.049 0.000 0.620 2143 A CB -0.525 18.449 19.000 -0.043 0.000 0.819 2143 A HN 0.257 nan 8.150 nan 0.000 0.442 2144 A N -0.832 121.956 122.820 -0.053 0.000 2.015 2144 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 2144 A C 2.025 179.567 177.584 -0.069 0.000 1.163 2144 A CA 2.110 54.111 52.037 -0.060 0.000 0.646 2144 A CB -0.283 18.687 19.000 -0.049 0.000 0.806 2144 A HN 0.391 nan 8.150 nan 0.000 0.448 2145 K N 0.439 120.803 120.400 -0.060 0.000 2.186 2145 K HA -0.037 4.283 4.320 -0.000 0.000 0.202 2145 K C 2.224 178.790 176.600 -0.057 0.000 1.052 2145 K CA 1.259 57.512 56.287 -0.057 0.000 0.965 2145 K CB -0.201 32.271 32.500 -0.046 0.000 0.746 2145 K HN 0.576 nan 8.250 nan 0.000 0.457 2146 S N 0.768 116.434 115.700 -0.057 0.000 2.423 2146 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 2146 S C 1.660 176.220 174.600 -0.066 0.000 1.014 2146 S CA 1.095 59.263 58.200 -0.054 0.000 0.965 2146 S CB -0.440 62.731 63.200 -0.048 0.000 0.785 2146 S HN 0.404 nan 8.310 nan 0.000 0.495 2147 I N -1.095 119.421 120.570 -0.090 0.000 3.956 2147 I HA 0.429 4.599 4.170 -0.000 0.000 0.333 2147 I C 1.365 177.400 176.117 -0.137 0.000 1.302 2147 I CA 0.943 62.169 61.300 -0.123 0.000 1.122 2147 I CB -0.925 36.968 38.000 -0.178 0.000 1.013 2147 I HN 0.477 nan 8.210 nan 0.000 0.405 2148 G N 1.738 110.474 108.800 -0.106 0.000 2.176 2148 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.253 2148 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.253 2148 G C 0.589 175.431 174.900 -0.097 0.000 0.979 2148 G CA 0.165 45.212 45.100 -0.090 0.000 0.641 2148 G HN 1.052 nan 8.290 nan 0.000 0.530 2149 A N 1.189 123.933 122.820 -0.127 0.000 2.522 2149 A HA 0.572 4.892 4.320 -0.000 0.000 0.256 2149 A C 1.183 178.720 177.584 -0.078 0.000 1.086 2149 A CA 1.284 53.263 52.037 -0.097 0.000 0.763 2149 A CB -0.013 18.928 19.000 -0.098 0.000 1.024 2149 A HN 1.920 nan 8.150 nan 0.000 0.502 2150 T N 2.292 116.804 114.554 -0.069 0.000 2.751 2150 T HA 0.342 4.692 4.350 -0.000 0.000 0.279 2150 T C 0.287 174.861 174.700 -0.211 0.000 0.941 2150 T CA 0.248 62.272 62.100 -0.128 0.000 1.192 2150 T CB -0.741 68.066 68.868 -0.101 0.000 0.883 2150 T HN 0.575 nan 8.240 nan 0.000 0.534 2151 T N 4.773 119.190 114.554 -0.229 0.000 2.867 2151 T HA 0.363 4.713 4.350 -0.000 0.000 0.282 2151 T C -0.444 174.064 174.700 -0.320 0.000 1.000 2151 T CA -0.780 61.194 62.100 -0.211 0.000 1.042 2151 T CB 0.746 69.558 68.868 -0.093 0.000 0.973 2151 T HN 0.693 nan 8.240 nan 0.000 0.465 2152 H N 1.423 120.500 119.070 0.011 0.000 2.708 2152 H HA 0.418 4.974 4.556 -0.000 0.000 0.320 2152 H C -0.898 174.437 175.328 0.010 0.000 0.991 2152 H CA -0.425 55.634 56.048 0.018 0.000 1.243 2152 H CB 1.233 30.999 29.762 0.007 0.000 1.446 2152 H HN 0.280 nan 8.280 nan 0.000 0.502 2153 V N 3.425 123.408 119.914 0.115 0.000 2.350 2153 V HA 0.664 4.784 4.120 -0.000 0.000 0.276 2153 V C 0.727 176.861 176.094 0.067 0.000 1.028 2153 V CA -0.198 62.145 62.300 0.070 0.000 0.860 2153 V CB 1.117 32.968 31.823 0.047 0.000 0.990 2153 V HN 1.009 nan 8.190 nan 0.000 0.453 2154 G N 3.364 112.192 108.800 0.046 0.000 2.500 2154 G HA2 0.479 4.439 3.960 -0.000 0.000 0.299 2154 G HA3 0.479 4.439 3.960 -0.000 0.000 0.299 2154 G C -1.300 173.600 174.900 0.000 0.000 1.242 2154 G CA -0.490 44.627 45.100 0.028 0.000 0.859 2154 G HN 0.409 nan 8.290 nan 0.000 0.481 2155 V N 0.791 120.693 119.914 -0.020 0.000 2.607 2155 V HA 0.618 4.738 4.120 -0.000 0.000 0.289 2155 V C 0.279 176.316 176.094 -0.095 0.000 1.053 2155 V CA 0.008 62.274 62.300 -0.055 0.000 0.996 2155 V CB 1.316 33.100 31.823 -0.065 0.000 0.995 2155 V HN 0.763 nan 8.190 nan 0.000 0.476 2156 T N 3.115 117.599 114.554 -0.117 0.000 2.887 2156 T HA 0.672 5.022 4.350 -0.000 0.000 0.288 2156 T C -0.208 174.358 174.700 -0.223 0.000 1.021 2156 T CA -0.350 61.659 62.100 -0.150 0.000 1.000 2156 T CB 1.742 70.557 68.868 -0.089 0.000 1.034 2156 T HN 0.895 nan 8.240 nan 0.000 0.467 2157 A N 1.883 124.522 122.820 -0.303 0.000 2.260 2157 A HA 0.625 4.945 4.320 -0.000 0.000 0.312 2157 A C 0.320 177.845 177.584 -0.099 0.000 1.321 2157 A CA -0.487 51.331 52.037 -0.366 0.000 0.928 2157 A CB 0.364 18.950 19.000 -0.690 0.000 1.158 2157 A HN 0.624 nan 8.150 nan 0.000 0.542 2158 S N 2.272 117.928 115.700 -0.073 0.000 2.420 2158 S HA 0.494 4.964 4.470 -0.000 0.000 0.313 2158 S C 0.056 174.680 174.600 0.040 0.000 1.079 2158 S CA -0.288 57.912 58.200 0.001 0.000 1.104 2158 S CB 0.247 63.439 63.200 -0.013 0.000 0.969 2158 S HN 0.903 nan 8.310 nan 0.000 0.471 2159 S N 3.342 119.074 115.700 0.053 0.000 2.509 2159 S HA 0.359 4.829 4.470 -0.000 0.000 0.297 2159 S C 0.538 175.135 174.600 -0.005 0.000 1.118 2159 S CA -0.644 57.570 58.200 0.023 0.000 1.074 2159 S CB 1.221 64.383 63.200 -0.062 0.000 1.038 2159 S HN 0.738 nan 8.310 nan 0.000 0.498 2160 D N 1.753 122.152 120.400 -0.000 0.000 2.224 2160 D HA 0.072 4.712 4.640 -0.000 0.000 0.205 2160 D C 0.919 177.211 176.300 -0.013 0.000 0.965 2160 D CA 1.076 55.079 54.000 0.004 0.000 0.852 2160 D CB 0.135 40.951 40.800 0.026 0.000 0.947 2160 D HN 0.718 nan 8.370 nan 0.000 0.494 2161 T N -3.337 111.175 114.554 -0.069 0.000 2.912 2161 T HA 0.293 4.643 4.350 -0.000 0.000 0.288 2161 T C 0.497 175.150 174.700 -0.078 0.000 1.030 2161 T CA -0.889 61.184 62.100 -0.046 0.000 1.020 2161 T CB 1.448 70.266 68.868 -0.084 0.000 1.056 2161 T HN -0.087 nan 8.240 nan 0.000 0.480 2162 F N 0.241 120.076 119.950 -0.191 0.000 2.619 2162 F HA 0.257 4.784 4.527 -0.000 0.000 0.293 2162 F C 0.843 176.321 175.800 -0.536 0.000 1.119 2162 F CA 0.305 58.086 58.000 -0.366 0.000 1.445 2162 F CB -0.040 38.715 39.000 -0.408 0.000 1.119 2162 F HN 0.679 nan 8.300 nan 0.000 0.573 2163 Y N 0.993 121.290 120.300 -0.005 0.000 2.344 2163 Y HA 0.163 4.712 4.550 -0.000 0.000 0.261 2163 Y C -0.390 175.349 175.900 -0.268 0.000 1.080 2163 Y CA 0.567 58.609 58.100 -0.098 0.000 1.151 2163 Y CB -1.879 36.590 38.460 0.014 0.000 1.059 2163 Y HN -0.224 nan 8.280 nan 0.000 0.490 2164 P HA -0.118 nan 4.420 nan 0.000 0.217 2164 P C 1.504 178.487 177.300 -0.530 0.000 1.150 2164 P CA 2.218 65.160 63.100 -0.264 0.000 0.832 2164 P CB -0.209 31.384 31.700 -0.179 0.000 0.787 2165 G N 0.002 108.389 108.800 -0.689 0.000 2.498 2165 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 2165 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 2165 G C 1.374 175.884 174.900 -0.649 0.000 1.119 2165 G CA 0.355 44.839 45.100 -1.027 0.000 0.766 2165 G HN 0.403 nan 8.290 nan 0.000 0.552 2166 Q N -0.616 118.762 119.800 -0.703 0.000 2.175 2166 Q HA 0.205 4.545 4.340 -0.000 0.000 0.225 2166 Q C -0.017 175.672 176.000 -0.518 0.000 0.837 2166 Q CA -0.274 54.863 55.803 -1.109 0.000 1.032 2166 Q CB 0.494 28.479 28.738 -1.254 0.000 1.137 2166 Q HN 0.616 nan 8.270 nan 0.000 0.483 2167 E N 1.916 121.934 120.200 -0.305 0.000 2.228 2167 E HA -0.238 4.112 4.350 -0.000 0.000 0.213 2167 E C -1.058 175.361 176.600 -0.303 0.000 1.282 2167 E CA 0.164 56.424 56.400 -0.234 0.000 0.707 2167 E CB -0.304 29.398 29.700 0.004 0.000 1.150 2167 E HN 0.339 nan 8.360 nan 0.000 0.362 2168 R N 0.657 120.967 120.500 -0.318 0.000 2.265 2168 R HA 0.223 4.563 4.340 -0.000 0.000 0.319 2168 R C 0.149 176.320 176.300 -0.215 0.000 1.006 2168 R CA -0.333 55.674 56.100 -0.155 0.000 0.880 2168 R CB 0.531 30.805 30.300 -0.043 0.000 1.077 2168 R HN 0.225 nan 8.270 nan 0.000 0.454 2169 Y N 0.146 120.481 120.300 0.059 0.000 2.481 2169 Y HA 0.002 4.552 4.550 -0.000 0.000 0.258 2169 Y C 0.381 176.312 175.900 0.053 0.000 1.103 2169 Y CA -0.286 57.843 58.100 0.049 0.000 1.287 2169 Y CB 0.301 38.780 38.460 0.031 0.000 1.108 2169 Y HN 0.615 nan 8.280 nan 0.000 0.529 2170 D N 0.859 121.380 120.400 0.201 0.000 2.597 2170 D HA 0.144 4.784 4.640 -0.000 0.000 0.228 2170 D C 0.193 176.566 176.300 0.123 0.000 1.120 2170 D CA 0.061 54.152 54.000 0.152 0.000 1.083 2170 D CB -0.370 40.522 40.800 0.153 0.000 1.116 2170 D HN 0.143 nan 8.370 nan 0.000 0.487 2171 T N -3.227 111.366 114.554 0.066 0.000 2.696 2171 T HA 0.195 4.545 4.350 -0.000 0.000 0.291 2171 T C 0.544 175.250 174.700 0.010 0.000 1.095 2171 T CA -1.039 61.052 62.100 -0.014 0.000 1.026 2171 T CB 0.430 69.264 68.868 -0.057 0.000 1.390 2171 T HN 0.172 nan 8.240 nan 0.000 0.513 2172 Y N 1.290 121.526 120.300 -0.107 0.000 2.207 2172 Y HA -0.121 4.429 4.550 -0.000 0.000 0.287 2172 Y C 2.572 178.451 175.900 -0.034 0.000 1.156 2172 Y CA 2.451 60.510 58.100 -0.070 0.000 1.182 2172 Y CB -0.108 38.298 38.460 -0.089 0.000 0.979 2172 Y HN 0.720 nan 8.280 nan 0.000 0.521 2173 S N -1.366 114.238 115.700 -0.159 0.000 2.483 2173 S HA 0.224 4.694 4.470 -0.000 0.000 0.221 2173 S C 1.716 176.264 174.600 -0.087 0.000 1.030 2173 S CA 0.384 58.461 58.200 -0.204 0.000 0.925 2173 S CB -0.139 63.038 63.200 -0.039 0.000 0.795 2173 S HN 0.886 nan 8.310 nan 0.000 0.511 2174 G N 1.838 110.631 108.800 -0.012 0.000 2.225 2174 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.267 2174 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.267 2174 G C -0.043 174.951 174.900 0.157 0.000 1.024 2174 G CA 0.591 45.740 45.100 0.081 0.000 0.784 2174 G HN 0.860 nan 8.290 nan 0.000 0.507 2175 R N -0.917 119.637 120.500 0.091 0.000 2.711 2175 R HA 0.714 5.054 4.340 -0.000 0.000 0.284 2175 R C -1.157 175.163 176.300 0.033 0.000 0.968 2175 R CA -0.745 55.420 56.100 0.108 0.000 0.924 2175 R CB 1.962 32.298 30.300 0.061 0.000 1.162 2175 R HN 0.179 nan 8.270 nan 0.000 0.465 2176 V N 4.698 124.645 119.914 0.054 0.000 2.447 2176 V HA 0.169 4.289 4.120 -0.000 0.000 0.292 2176 V C 0.014 176.163 176.094 0.091 0.000 1.021 2176 V CA -0.837 61.443 62.300 -0.033 0.000 0.850 2176 V CB 1.610 33.260 31.823 -0.288 0.000 1.005 2176 V HN 0.713 nan 8.190 nan 0.000 0.426 2177 V N 6.323 126.305 119.914 0.114 0.000 2.953 2177 V HA -0.037 4.083 4.120 -0.000 0.000 0.304 2177 V C 1.901 178.076 176.094 0.135 0.000 1.138 2177 V CA 1.152 63.535 62.300 0.137 0.000 1.266 2177 V CB 0.781 32.710 31.823 0.178 0.000 0.923 2177 V HN 0.998 nan 8.190 nan 0.000 0.505 2178 R N 3.555 124.105 120.500 0.084 0.000 2.113 2178 R HA -0.255 4.085 4.340 -0.000 0.000 0.244 2178 R C 2.278 178.578 176.300 0.000 0.000 1.142 2178 R CA 2.604 58.731 56.100 0.045 0.000 0.953 2178 R CB -0.401 29.912 30.300 0.022 0.000 0.860 2178 R HN 0.873 nan 8.270 nan 0.000 0.438 2179 R N -0.436 120.038 120.500 -0.044 0.000 2.119 2179 R HA -0.178 4.162 4.340 -0.000 0.000 0.246 2179 R C 1.466 177.549 176.300 -0.361 0.000 1.146 2179 R CA 2.297 58.256 56.100 -0.234 0.000 0.962 2179 R CB -0.421 29.663 30.300 -0.361 0.000 0.863 2179 R HN 0.327 nan 8.270 nan 0.000 0.442 2180 F N 0.500 120.465 119.950 0.025 0.000 2.727 2180 F HA 0.309 4.836 4.527 -0.000 0.000 0.302 2180 F C 0.370 176.168 175.800 -0.003 0.000 1.097 2180 F CA -0.259 57.752 58.000 0.018 0.000 1.330 2180 F CB 0.319 39.335 39.000 0.025 0.000 1.084 2180 F HN -0.216 nan 8.300 nan 0.000 0.578 2181 K N 0.640 121.117 120.400 0.129 0.000 2.379 2181 K HA 0.286 4.606 4.320 -0.000 0.000 0.284 2181 K C 1.115 177.756 176.600 0.069 0.000 1.044 2181 K CA 0.629 56.999 56.287 0.139 0.000 0.974 2181 K CB 0.494 33.071 32.500 0.127 0.000 0.962 2181 K HN 0.341 nan 8.250 nan 0.000 0.474 2182 G N 2.066 110.926 108.800 0.100 0.000 2.179 2182 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.257 2182 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.257 2182 G C 0.797 175.646 174.900 -0.084 0.000 1.010 2182 G CA 0.875 45.987 45.100 0.021 0.000 0.736 2182 G HN 0.694 nan 8.290 nan 0.000 0.513 2183 S N -1.083 114.561 115.700 -0.093 0.000 2.406 2183 S HA 0.121 4.590 4.470 -0.000 0.000 0.224 2183 S C 2.249 176.587 174.600 -0.436 0.000 1.030 2183 S CA 1.334 59.318 58.200 -0.361 0.000 0.958 2183 S CB -0.255 62.831 63.200 -0.190 0.000 0.811 2183 S HN 0.548 nan 8.310 nan 0.000 0.489 2184 M N 2.371 121.967 119.600 -0.007 0.000 2.073 2184 M HA -0.260 4.220 4.480 -0.000 0.000 0.258 2184 M C 2.264 178.585 176.300 0.036 0.000 1.070 2184 M CA 2.559 57.958 55.300 0.165 0.000 1.103 2184 M CB -0.458 32.306 32.600 0.274 0.000 1.321 2184 M HN 0.583 nan 8.290 nan 0.000 0.405 2185 E N -0.159 120.040 120.200 -0.003 0.000 2.160 2185 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 2185 E C 1.536 178.103 176.600 -0.056 0.000 0.991 2185 E CA 1.931 58.325 56.400 -0.010 0.000 0.810 2185 E CB -0.673 29.021 29.700 -0.011 0.000 0.742 2185 E HN 0.648 nan 8.360 nan 0.000 0.466 2186 E N 0.474 120.560 120.200 -0.190 0.000 2.031 2186 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 2186 E C 1.898 178.458 176.600 -0.067 0.000 0.994 2186 E CA 1.507 57.755 56.400 -0.253 0.000 0.800 2186 E CB -0.366 28.987 29.700 -0.578 0.000 0.752 2186 E HN 0.473 nan 8.360 nan 0.000 0.447 2187 W N 1.319 122.614 121.300 -0.008 0.000 2.342 2187 W HA -0.205 4.455 4.660 -0.000 0.000 0.297 2187 W C 2.502 178.982 176.519 -0.064 0.000 1.213 2187 W CA 0.232 57.543 57.345 -0.056 0.000 1.251 2187 W CB -0.093 29.286 29.460 -0.134 0.000 1.136 2187 W HN 0.165 nan 8.180 nan 0.000 0.526 2188 Q N 0.282 120.182 119.800 0.167 0.000 2.046 2188 Q HA -0.154 4.186 4.340 -0.000 0.000 0.200 2188 Q C 2.550 178.599 176.000 0.082 0.000 0.975 2188 Q CA 1.629 57.487 55.803 0.091 0.000 0.836 2188 Q CB -0.647 28.129 28.738 0.063 0.000 0.896 2188 Q HN 0.290 nan 8.270 nan 0.000 0.428 2189 A N 0.956 123.814 122.820 0.064 0.000 1.940 2189 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 2189 A C 1.922 179.544 177.584 0.064 0.000 1.176 2189 A CA 1.444 53.510 52.037 0.048 0.000 0.631 2189 A CB -0.499 18.514 19.000 0.022 0.000 0.814 2189 A HN 0.327 nan 8.150 nan 0.000 0.446 2190 M N -1.111 118.549 119.600 0.101 0.000 2.618 2190 M HA 0.164 4.644 4.480 -0.000 0.000 0.240 2190 M C 1.333 177.685 176.300 0.086 0.000 1.123 2190 M CA 0.721 56.086 55.300 0.108 0.000 1.060 2190 M CB -0.028 32.681 32.600 0.182 0.000 1.535 2190 M HN 0.632 nan 8.290 nan 0.000 0.507 2191 G N 0.717 109.565 108.800 0.080 0.000 2.159 2191 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.256 2191 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.256 2191 G C 0.133 175.051 174.900 0.032 0.000 0.977 2191 G CA -0.132 45.007 45.100 0.065 0.000 0.652 2191 G HN 0.335 nan 8.290 nan 0.000 0.531 2192 V N 1.536 121.462 119.914 0.019 0.000 2.763 2192 V HA 0.183 4.303 4.120 -0.000 0.000 0.306 2192 V C 1.879 177.914 176.094 -0.097 0.000 1.059 2192 V CA 1.234 63.494 62.300 -0.066 0.000 1.138 2192 V CB 1.174 32.918 31.823 -0.131 0.000 0.940 2192 V HN 0.403 nan 8.190 nan 0.000 0.489 2193 M N 2.853 122.378 119.600 -0.126 0.000 2.299 2193 M HA 0.128 4.608 4.480 -0.000 0.000 0.264 2193 M C 0.699 176.897 176.300 -0.171 0.000 1.095 2193 M CA 1.101 56.311 55.300 -0.150 0.000 1.165 2193 M CB -0.061 32.469 32.600 -0.117 0.000 1.349 2193 M HN 0.935 nan 8.290 nan 0.000 0.446 2194 N N -1.595 116.997 118.700 -0.180 0.000 3.039 2194 N HA 0.223 4.963 4.740 -0.000 0.000 0.257 2194 N C -1.897 173.487 175.510 -0.211 0.000 1.497 2194 N CA -0.649 52.304 53.050 -0.163 0.000 0.861 2194 N CB 1.323 39.764 38.487 -0.076 0.000 1.479 2194 N HN -0.061 nan 8.380 nan 0.000 0.547 2195 Y N -0.514 119.733 120.300 -0.089 0.000 2.446 2195 Y HA 0.495 5.045 4.550 -0.000 0.000 0.338 2195 Y C 0.149 175.990 175.900 -0.099 0.000 1.055 2195 Y CA -0.102 57.932 58.100 -0.110 0.000 1.101 2195 Y CB 1.620 39.998 38.460 -0.136 0.000 1.221 2195 Y HN 0.811 nan 8.280 nan 0.000 0.460 2196 E N -0.168 120.093 120.200 0.101 0.000 2.425 2196 E HA 0.478 4.828 4.350 -0.000 0.000 0.272 2196 E C -1.227 175.395 176.600 0.036 0.000 1.061 2196 E CA -0.715 55.712 56.400 0.045 0.000 0.877 2196 E CB 1.127 30.842 29.700 0.026 0.000 1.590 2196 E HN 0.464 nan 8.360 nan 0.000 0.462 2197 M N -0.487 119.132 119.600 0.031 0.000 2.289 2197 M HA 0.322 4.802 4.480 -0.000 0.000 0.335 2197 M C -0.072 176.240 176.300 0.020 0.000 0.961 2197 M CA 0.168 55.484 55.300 0.026 0.000 1.018 2197 M CB 0.712 33.335 32.600 0.038 0.000 1.678 2197 M HN 0.516 nan 8.290 nan 0.000 0.589 2198 E N -0.593 119.616 120.200 0.015 0.000 2.536 2198 E HA 0.077 4.426 4.350 -0.000 0.000 0.220 2198 E C 1.828 178.422 176.600 -0.009 0.000 0.876 2198 E CA 0.647 57.050 56.400 0.005 0.000 1.190 2198 E CB 0.223 29.929 29.700 0.009 0.000 1.191 2198 E HN 0.309 nan 8.360 nan 0.000 0.557 2199 S N 1.334 117.030 115.700 -0.006 0.000 2.365 2199 S HA -0.235 4.235 4.470 -0.000 0.000 0.225 2199 S C 2.280 176.870 174.600 -0.017 0.000 1.039 2199 S CA 1.319 59.511 58.200 -0.014 0.000 1.033 2199 S CB -0.553 62.640 63.200 -0.012 0.000 0.887 2199 S HN 0.244 nan 8.310 nan 0.000 0.447 2200 A N 1.625 124.440 122.820 -0.009 0.000 1.917 2200 A HA -0.092 4.227 4.320 -0.000 0.000 0.219 2200 A C 2.478 180.065 177.584 0.004 0.000 1.182 2200 A CA 2.400 54.439 52.037 0.004 0.000 0.633 2200 A CB -1.788 17.221 19.000 0.014 0.000 0.819 2200 A HN 0.636 nan 8.150 nan 0.000 0.448 2201 T N -0.194 114.355 114.554 -0.008 0.000 2.737 2201 T HA -0.100 4.250 4.350 -0.000 0.000 0.265 2201 T C 1.873 176.498 174.700 -0.124 0.000 1.038 2201 T CA 1.412 63.497 62.100 -0.026 0.000 1.144 2201 T CB -0.406 68.454 68.868 -0.013 0.000 0.866 2201 T HN 0.359 nan 8.240 nan 0.000 0.434 2202 L N 0.863 122.012 121.223 -0.123 0.000 2.012 2202 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 2202 L C 2.003 178.774 176.870 -0.166 0.000 1.073 2202 L CA 1.663 56.392 54.840 -0.186 0.000 0.748 2202 L CB -0.674 41.310 42.059 -0.126 0.000 0.891 2202 L HN 0.106 nan 8.230 nan 0.000 0.431 2203 L N -0.767 120.409 121.223 -0.077 0.000 2.056 2203 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 2203 L C 2.492 179.361 176.870 -0.002 0.000 1.078 2203 L CA 2.045 56.870 54.840 -0.025 0.000 0.749 2203 L CB -1.677 40.390 42.059 0.014 0.000 0.901 2203 L HN 0.301 nan 8.230 nan 0.000 0.433 2204 T N -0.006 114.543 114.554 -0.008 0.000 2.777 2204 T HA -0.192 4.158 4.350 -0.000 0.000 0.266 2204 T C 1.783 176.383 174.700 -0.168 0.000 1.040 2204 T CA 1.682 63.792 62.100 0.017 0.000 1.141 2204 T CB -0.206 68.701 68.868 0.066 0.000 0.868 2204 T HN 0.459 nan 8.240 nan 0.000 0.444 2205 M N -0.173 119.215 119.600 -0.354 0.000 2.394 2205 M HA 0.070 4.550 4.480 -0.000 0.000 0.264 2205 M C 1.997 178.039 176.300 -0.429 0.000 1.073 2205 M CA 1.226 56.115 55.300 -0.685 0.000 1.111 2205 M CB -0.814 30.911 32.600 -1.458 0.000 1.401 2205 M HN 0.161 nan 8.290 nan 0.000 0.448 2206 C N 1.264 120.401 119.300 -0.272 0.000 2.538 2206 C HA 0.278 4.738 4.460 -0.000 0.000 0.281 2206 C C 3.160 178.129 174.990 -0.036 0.000 1.320 2206 C CA 0.818 59.750 59.018 -0.143 0.000 1.714 2206 C CB -0.868 26.820 27.740 -0.088 0.000 2.095 2206 C HN 0.741 nan 8.230 nan 0.000 0.497 2207 A N 1.057 123.891 122.820 0.023 0.000 2.125 2207 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 2207 A C 2.032 179.710 177.584 0.156 0.000 1.156 2207 A CA 1.952 54.083 52.037 0.157 0.000 0.671 2207 A CB -0.467 18.719 19.000 0.311 0.000 0.794 2207 A HN 0.715 nan 8.150 nan 0.000 0.459 2208 S N -2.065 113.576 115.700 -0.097 0.000 2.539 2208 S HA 0.200 4.670 4.470 -0.000 0.000 0.221 2208 S C 0.750 175.290 174.600 -0.101 0.000 0.987 2208 S CA -0.066 57.991 58.200 -0.239 0.000 0.929 2208 S CB 0.111 62.929 63.200 -0.636 0.000 0.832 2208 S HN 0.617 nan 8.310 nan 0.000 0.492 2209 Q N 0.591 120.356 119.800 -0.058 0.000 2.084 2209 Q HA 0.376 4.716 4.340 -0.000 0.000 0.230 2209 Q C 0.653 176.660 176.000 0.012 0.000 0.806 2209 Q CA -0.017 55.772 55.803 -0.024 0.000 1.083 2209 Q CB 0.986 29.694 28.738 -0.051 0.000 1.208 2209 Q HN 0.586 nan 8.270 nan 0.000 0.462 2210 G N 1.408 110.227 108.800 0.032 0.000 2.179 2210 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.257 2210 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.257 2210 G C -0.049 174.888 174.900 0.061 0.000 1.010 2210 G CA 0.278 45.407 45.100 0.049 0.000 0.736 2210 G HN 0.301 nan 8.290 nan 0.000 0.513 2211 L N -0.381 120.883 121.223 0.068 0.000 2.331 2211 L HA 0.625 4.965 4.340 -0.000 0.000 0.275 2211 L C 0.936 177.882 176.870 0.127 0.000 1.022 2211 L CA -1.123 53.791 54.840 0.122 0.000 0.812 2211 L CB 1.351 43.511 42.059 0.169 0.000 1.257 2211 L HN 0.066 nan 8.230 nan 0.000 0.435 2212 R N 1.741 122.331 120.500 0.149 0.000 2.368 2212 R HA 0.780 5.120 4.340 -0.000 0.000 0.302 2212 R C -0.733 175.671 176.300 0.174 0.000 1.002 2212 R CA -0.507 55.667 56.100 0.123 0.000 0.929 2212 R CB 1.725 32.070 30.300 0.075 0.000 1.073 2212 R HN 0.708 nan 8.270 nan 0.000 0.464 2213 A N 1.157 124.051 122.820 0.123 0.000 2.539 2213 A HA 0.868 5.188 4.320 -0.000 0.000 0.296 2213 A C -0.848 176.780 177.584 0.073 0.000 1.073 2213 A CA -0.608 51.502 52.037 0.122 0.000 0.700 2213 A CB 2.366 21.412 19.000 0.077 0.000 1.296 2213 A HN 0.770 nan 8.150 nan 0.000 0.405 2214 G N -0.387 108.453 108.800 0.065 0.000 2.660 2214 G HA2 0.669 4.629 3.960 -0.000 0.000 0.290 2214 G HA3 0.669 4.629 3.960 -0.000 0.000 0.290 2214 G C -1.315 173.606 174.900 0.035 0.000 1.432 2214 G CA -0.261 44.860 45.100 0.036 0.000 0.807 2214 G HN 1.225 nan 8.290 nan 0.000 0.485 2215 M N 1.125 120.737 119.600 0.021 0.000 2.325 2215 M HA 0.627 5.107 4.480 -0.000 0.000 0.285 2215 M C -2.084 174.224 176.300 0.013 0.000 1.119 2215 M CA -0.810 54.502 55.300 0.020 0.000 0.959 2215 M CB 2.178 34.788 32.600 0.016 0.000 1.737 2215 M HN 0.760 nan 8.290 nan 0.000 0.486 2216 V N 3.872 123.795 119.914 0.015 0.000 2.876 2216 V HA 1.046 5.166 4.120 -0.000 0.000 0.312 2216 V C -1.597 174.507 176.094 0.018 0.000 1.085 2216 V CA 0.019 62.328 62.300 0.014 0.000 0.945 2216 V CB 2.016 33.845 31.823 0.009 0.000 1.017 2216 V HN 1.080 nan 8.190 nan 0.000 0.428 2217 A N 3.689 126.522 122.820 0.021 0.000 2.547 2217 A HA 0.879 5.199 4.320 -0.000 0.000 0.297 2217 A C -0.302 177.300 177.584 0.031 0.000 1.056 2217 A CA -0.101 51.950 52.037 0.023 0.000 0.688 2217 A CB 1.768 20.779 19.000 0.019 0.000 1.282 2217 A HN 1.624 nan 8.150 nan 0.000 0.400 2218 G N 0.230 109.048 108.800 0.030 0.000 2.348 2218 G HA2 0.533 4.493 3.960 -0.000 0.000 0.312 2218 G HA3 0.533 4.493 3.960 -0.000 0.000 0.312 2218 G C -0.464 174.453 174.900 0.028 0.000 1.126 2218 G CA -0.403 44.719 45.100 0.037 0.000 0.865 2218 G HN 0.969 nan 8.290 nan 0.000 0.474 2219 V N 3.528 123.462 119.914 0.034 0.000 2.470 2219 V HA 0.125 4.245 4.120 -0.000 0.000 0.276 2219 V C 1.300 177.403 176.094 0.015 0.000 1.040 2219 V CA 0.047 62.360 62.300 0.022 0.000 1.008 2219 V CB 0.705 32.543 31.823 0.024 0.000 0.990 2219 V HN 0.764 nan 8.190 nan 0.000 0.477 2220 I N 3.157 123.734 120.570 0.011 0.000 4.154 2220 I HA 0.585 4.755 4.170 -0.000 0.000 0.334 2220 I C 0.113 176.236 176.117 0.010 0.000 1.371 2220 I CA 0.117 61.422 61.300 0.007 0.000 1.110 2220 I CB 1.146 39.150 38.000 0.007 0.000 1.085 2220 I HN 0.439 nan 8.210 nan 0.000 0.398 2221 V N 1.109 121.029 119.914 0.010 0.000 3.177 2221 V HA 0.464 4.584 4.120 -0.000 0.000 0.287 2221 V C -2.108 173.988 176.094 0.003 0.000 1.465 2221 V CA -0.519 61.788 62.300 0.011 0.000 1.020 2221 V CB 2.348 34.182 31.823 0.018 0.000 1.152 2221 V HN 0.371 nan 8.190 nan 0.000 0.448 2222 N N 4.440 123.142 118.700 0.003 0.000 2.504 2222 N HA 0.449 5.189 4.740 -0.000 0.000 0.280 2222 N C 0.730 176.243 175.510 0.006 0.000 1.052 2222 N CA -0.523 52.524 53.050 -0.004 0.000 0.887 2222 N CB 2.159 40.638 38.487 -0.012 0.000 1.323 2222 N HN 0.763 nan 8.380 nan 0.000 0.509 2223 R N 0.290 120.797 120.500 0.012 0.000 2.083 2223 R HA -0.113 4.227 4.340 -0.000 0.000 0.237 2223 R C 1.496 177.813 176.300 0.027 0.000 1.137 2223 R CA 2.228 58.343 56.100 0.025 0.000 0.951 2223 R CB -0.493 29.833 30.300 0.042 0.000 0.851 2223 R HN 0.616 nan 8.270 nan 0.000 0.434 2224 T N -1.729 112.838 114.554 0.022 0.000 3.160 2224 T HA 0.019 4.369 4.350 -0.000 0.000 0.257 2224 T C 0.829 175.540 174.700 0.018 0.000 1.147 2224 T CA 0.329 62.443 62.100 0.023 0.000 1.064 2224 T CB 0.166 69.045 68.868 0.019 0.000 0.949 2224 T HN 0.161 nan 8.240 nan 0.000 0.526 2238 E N 2.021 122.184 120.200 -0.061 0.000 2.072 2238 E HA 0.002 4.352 4.350 -0.000 0.000 0.191 2238 E C 2.008 178.601 176.600 -0.011 0.000 0.985 2238 E CA 2.110 58.494 56.400 -0.025 0.000 0.801 2238 E CB -0.392 29.290 29.700 -0.030 0.000 0.750 2238 E HN 0.528 nan 8.360 nan 0.000 0.452 2239 S N -0.501 115.180 115.700 -0.032 0.000 2.368 2239 S HA -0.150 4.319 4.470 -0.000 0.000 0.224 2239 S C 1.652 176.309 174.600 0.095 0.000 1.029 2239 S CA 1.165 59.370 58.200 0.007 0.000 0.988 2239 S CB -0.558 62.635 63.200 -0.010 0.000 0.838 2239 S HN 0.463 nan 8.310 nan 0.000 0.462 2240 H N 1.158 120.220 119.070 -0.013 0.000 2.265 2240 H HA -0.149 4.406 4.556 -0.000 0.000 0.295 2240 H C 2.567 177.887 175.328 -0.014 0.000 1.084 2240 H CA 0.995 57.036 56.048 -0.013 0.000 1.261 2240 H CB -0.263 29.493 29.762 -0.010 0.000 1.360 2240 H HN 0.442 nan 8.280 nan 0.000 0.487 2241 A N 0.705 123.604 122.820 0.132 0.000 1.869 2241 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 2241 A C 2.705 180.310 177.584 0.036 0.000 1.203 2241 A CA 2.271 54.345 52.037 0.062 0.000 0.638 2241 A CB -1.136 17.890 19.000 0.042 0.000 0.831 2241 A HN 0.238 nan 8.150 nan 0.000 0.450 2242 V N 0.180 120.112 119.914 0.030 0.000 2.324 2242 V HA -0.344 3.776 4.120 -0.000 0.000 0.250 2242 V C 2.474 178.573 176.094 0.009 0.000 1.060 2242 V CA 2.560 64.867 62.300 0.011 0.000 1.042 2242 V CB -0.832 30.990 31.823 -0.002 0.000 0.650 2242 V HN 0.598 nan 8.190 nan 0.000 0.450 2243 K N -0.064 120.349 120.400 0.022 0.000 2.032 2243 K HA -0.141 4.179 4.320 -0.000 0.000 0.209 2243 K C 2.020 178.616 176.600 -0.007 0.000 1.048 2243 K CA 1.806 58.098 56.287 0.009 0.000 0.927 2243 K CB -0.384 32.126 32.500 0.017 0.000 0.712 2243 K HN 0.409 nan 8.250 nan 0.000 0.441 2244 I N 0.568 121.135 120.570 -0.006 0.000 2.286 2244 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 2244 I C 2.393 178.501 176.117 -0.015 0.000 1.115 2244 I CA 0.799 62.089 61.300 -0.018 0.000 1.392 2244 I CB -0.270 37.721 38.000 -0.016 0.000 1.065 2244 I HN 0.011 nan 8.210 nan 0.000 0.418 2245 V N 0.343 120.253 119.914 -0.006 0.000 2.548 2245 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 2245 V C 2.312 178.399 176.094 -0.011 0.000 1.055 2245 V CA 1.424 63.720 62.300 -0.007 0.000 1.065 2245 V CB 0.294 32.118 31.823 0.001 0.000 0.681 2245 V HN 0.202 nan 8.190 nan 0.000 0.462 2246 V N -0.236 119.671 119.914 -0.012 0.000 2.379 2246 V HA -0.125 3.995 4.120 -0.000 0.000 0.245 2246 V C 2.669 178.753 176.094 -0.017 0.000 1.044 2246 V CA 1.928 64.220 62.300 -0.014 0.000 1.036 2246 V CB -0.656 31.160 31.823 -0.012 0.000 0.664 2246 V HN 0.513 nan 8.190 nan 0.000 0.453 2247 E N 0.444 120.632 120.200 -0.020 0.000 2.085 2247 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 2247 E C 2.340 178.923 176.600 -0.028 0.000 0.994 2247 E CA 1.660 58.045 56.400 -0.024 0.000 0.801 2247 E CB -0.369 29.314 29.700 -0.029 0.000 0.743 2247 E HN 0.555 nan 8.360 nan 0.000 0.453 2248 A N 1.140 123.943 122.820 -0.029 0.000 1.873 2248 A HA -0.048 4.271 4.320 -0.000 0.000 0.215 2248 A C 2.420 179.984 177.584 -0.033 0.000 1.186 2248 A CA 1.969 53.985 52.037 -0.035 0.000 0.616 2248 A CB -0.613 18.367 19.000 -0.034 0.000 0.823 2248 A HN 0.273 nan 8.150 nan 0.000 0.442 2249 A N -0.043 122.761 122.820 -0.027 0.000 1.978 2249 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 2249 A C 2.139 179.706 177.584 -0.028 0.000 1.170 2249 A CA 2.194 54.214 52.037 -0.028 0.000 0.636 2249 A CB -0.489 18.497 19.000 -0.024 0.000 0.810 2249 A HN 0.539 nan 8.150 nan 0.000 0.448 2250 R N 0.796 121.281 120.500 -0.025 0.000 2.096 2250 R HA -0.174 4.166 4.340 -0.000 0.000 0.240 2250 R C 2.142 178.427 176.300 -0.025 0.000 1.139 2250 R CA 2.135 58.221 56.100 -0.023 0.000 0.952 2250 R CB -0.418 29.869 30.300 -0.021 0.000 0.854 2250 R HN 0.634 nan 8.270 nan 0.000 0.436 2251 R N 0.254 120.736 120.500 -0.029 0.000 2.320 2251 R HA 0.076 4.416 4.340 -0.000 0.000 0.211 2251 R C 0.389 176.669 176.300 -0.033 0.000 0.931 2251 R CA 0.601 56.682 56.100 -0.031 0.000 1.071 2251 R CB 0.069 30.347 30.300 -0.036 0.000 1.025 2251 R HN 0.320 nan 8.270 nan 0.000 0.495 2252 L N 0.850 122.053 121.223 -0.033 0.000 3.122 2252 L HA 0.351 4.691 4.340 -0.000 0.000 0.274 2252 L C 0.128 176.979 176.870 -0.031 0.000 1.222 2252 L CA -0.349 54.471 54.840 -0.033 0.000 1.028 2252 L CB 0.424 42.461 42.059 -0.037 0.000 1.386 2252 L HN 0.096 nan 8.230 nan 0.000 0.578 2253 L N 0.000 121.206 121.223 -0.028 0.000 2.949 2253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 2253 L CA 0.000 54.823 54.840 -0.028 0.000 0.813 2253 L CB 0.000 42.044 42.059 -0.025 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502