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 2e4a_1_C DATA FIRST_RESID 2001 DATA SEQUENCE MRVVVIGAGV IGLSTALCIH ERYHSVLQPL DIKVYADRFT PLTTTDVAAG DATA SEQUENCE LWQPYLSDPN NPQEADWSQQ TFDYLLSHVH SPNAENLGLF LISGYNLFHE DATA SEQUENCE AIPDPSWKDT VLGFRKLTPR ELDMFPDYGY GWFHTSLILE GKNYLQWLTE DATA SEQUENCE RLTERGVKFF QRKVESFEEV AREGADVIVN CTGVWAGALQ RDPLLQPGRG DATA SEQUENCE QIMKVDAPWM KHFILTHDPE RGIYNSPYII PGTQTVTLGG IFQLGNWSEL DATA SEQUENCE NNIQDHNTIW EGCCRLEPTL KNARIIGERT GFRPVRPQIR LEREQLRTGP DATA SEQUENCE SNTEVIHNYG HGGYGLTIHW GCALEAAKLF GRILEEKKLS 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 2001 M HA 0.000 nan 4.480 nan 0.000 0.227 2001 M C 0.000 176.324 176.300 0.039 0.000 1.140 2001 M CA 0.000 55.317 55.300 0.028 0.000 0.988 2001 M CB 0.000 32.626 32.600 0.043 0.000 1.302 2002 R N 3.312 123.825 120.500 0.022 0.000 2.221 2002 R HA 0.677 5.016 4.340 -0.002 0.000 0.327 2002 R C -1.159 175.148 176.300 0.011 0.000 1.033 2002 R CA -0.693 55.410 56.100 0.007 0.000 0.887 2002 R CB 1.509 31.803 30.300 -0.010 0.000 1.057 2002 R HN 0.464 nan 8.270 nan 0.000 0.455 2003 V N 4.362 124.271 119.914 -0.008 0.000 2.409 2003 V HA 0.281 4.400 4.120 -0.002 0.000 0.291 2003 V C -0.226 175.801 176.094 -0.111 0.000 1.020 2003 V CA -0.824 61.462 62.300 -0.023 0.000 0.848 2003 V CB 2.018 33.822 31.823 -0.031 0.000 0.990 2003 V HN 0.450 nan 8.190 nan 0.000 0.430 2004 V N 5.877 125.715 119.914 -0.127 0.000 2.357 2004 V HA 0.399 4.518 4.120 -0.002 0.000 0.284 2004 V C -0.112 175.887 176.094 -0.159 0.000 1.018 2004 V CA -0.554 61.604 62.300 -0.236 0.000 0.841 2004 V CB 1.897 33.533 31.823 -0.311 0.000 0.991 2004 V HN 0.615 nan 8.190 nan 0.000 0.437 2005 V N 6.986 126.799 119.914 -0.167 0.000 2.364 2005 V HA 0.431 4.550 4.120 -0.002 0.000 0.272 2005 V C 0.063 176.138 176.094 -0.030 0.000 1.036 2005 V CA -0.306 61.947 62.300 -0.079 0.000 0.880 2005 V CB 1.361 33.137 31.823 -0.078 0.000 0.991 2005 V HN 0.662 nan 8.190 nan 0.000 0.460 2006 I N 4.847 125.436 120.570 0.031 0.000 2.304 2006 I HA 0.735 4.904 4.170 -0.002 0.000 0.291 2006 I C 0.737 176.891 176.117 0.061 0.000 1.018 2006 I CA 0.003 61.351 61.300 0.081 0.000 1.260 2006 I CB 1.063 39.125 38.000 0.103 0.000 1.390 2006 I HN 0.831 nan 8.210 nan 0.000 0.475 2007 G N 4.354 113.173 108.800 0.032 0.000 3.014 2007 G HA2 0.217 4.176 3.960 -0.002 0.000 0.683 2007 G HA3 0.217 4.176 3.960 -0.002 0.000 0.683 2007 G C -0.524 174.360 174.900 -0.027 0.000 1.271 2007 G CA -0.317 44.777 45.100 -0.010 0.000 0.843 2007 G HN 0.887 nan 8.290 nan 0.000 0.612 2008 A N 1.148 123.891 122.820 -0.129 0.000 2.676 2008 A HA 0.798 5.117 4.320 -0.002 0.000 0.297 2008 A C 1.252 178.805 177.584 -0.052 0.000 1.132 2008 A CA 1.117 53.099 52.037 -0.091 0.000 0.972 2008 A CB -0.073 18.744 19.000 -0.306 0.000 1.197 2008 A HN 2.123 nan 8.150 nan 0.000 0.524 2009 G N -1.343 107.448 108.800 -0.015 0.000 2.535 2009 G HA2 0.347 4.307 3.960 -0.002 0.000 0.282 2009 G HA3 0.347 4.307 3.960 -0.002 0.000 0.282 2009 G C 1.167 176.076 174.900 0.015 0.000 1.350 2009 G CA 0.357 45.467 45.100 0.016 0.000 1.039 2009 G HN 0.526 nan 8.290 nan 0.000 0.509 2010 V N -0.074 119.846 119.914 0.009 0.000 2.380 2010 V HA -0.157 3.962 4.120 -0.002 0.000 0.251 2010 V C 2.535 178.637 176.094 0.014 0.000 1.063 2010 V CA 1.639 63.939 62.300 0.000 0.000 1.055 2010 V CB -0.540 31.273 31.823 -0.016 0.000 0.657 2010 V HN 0.522 nan 8.190 nan 0.000 0.455 2011 I N 0.936 121.494 120.570 -0.020 0.000 2.133 2011 I HA -0.056 4.113 4.170 -0.002 0.000 0.238 2011 I C 2.798 178.924 176.117 0.016 0.000 1.074 2011 I CA 1.769 63.046 61.300 -0.039 0.000 1.342 2011 I CB -2.238 35.681 38.000 -0.135 0.000 1.053 2011 I HN 0.388 nan 8.210 nan 0.000 0.404 2012 G N 1.554 110.372 108.800 0.029 0.000 2.491 2012 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.218 2012 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.218 2012 G C 1.834 176.758 174.900 0.040 0.000 1.180 2012 G CA 0.753 45.875 45.100 0.037 0.000 0.774 2012 G HN 0.306 nan 8.290 nan 0.000 0.562 2013 L N 1.252 122.509 121.223 0.056 0.000 2.027 2013 L HA -0.100 4.240 4.340 -0.002 0.000 0.206 2013 L C 3.415 180.321 176.870 0.060 0.000 1.074 2013 L CA 1.604 56.486 54.840 0.070 0.000 0.745 2013 L CB -0.708 41.389 42.059 0.062 0.000 0.898 2013 L HN 0.465 nan 8.230 nan 0.000 0.433 2014 S N -1.068 114.689 115.700 0.096 0.000 2.359 2014 S HA -0.216 4.253 4.470 -0.002 0.000 0.224 2014 S C 1.967 176.616 174.600 0.082 0.000 1.035 2014 S CA 1.813 60.135 58.200 0.202 0.000 1.018 2014 S CB -1.040 62.414 63.200 0.423 0.000 0.876 2014 S HN 0.342 nan 8.310 nan 0.000 0.448 2015 T N 3.015 117.579 114.554 0.016 0.000 2.665 2015 T HA -0.100 4.249 4.350 -0.002 0.000 0.268 2015 T C 2.217 176.878 174.700 -0.066 0.000 1.035 2015 T CA 1.787 63.852 62.100 -0.059 0.000 1.151 2015 T CB -1.061 67.778 68.868 -0.047 0.000 0.862 2015 T HN 0.671 nan 8.240 nan 0.000 0.438 2016 A N 1.202 123.999 122.820 -0.039 0.000 1.883 2016 A HA -0.070 4.249 4.320 -0.002 0.000 0.217 2016 A C 2.262 179.832 177.584 -0.025 0.000 1.186 2016 A CA 1.603 53.606 52.037 -0.057 0.000 0.624 2016 A CB -0.937 18.030 19.000 -0.054 0.000 0.822 2016 A HN 0.401 nan 8.150 nan 0.000 0.444 2017 L N -0.039 121.190 121.223 0.011 0.000 1.989 2017 L HA -0.204 4.135 4.340 -0.002 0.000 0.211 2017 L C 2.555 179.466 176.870 0.067 0.000 1.071 2017 L CA 2.348 57.217 54.840 0.048 0.000 0.749 2017 L CB -1.056 41.059 42.059 0.093 0.000 0.890 2017 L HN 0.493 nan 8.230 nan 0.000 0.431 2018 C N -0.467 118.831 119.300 -0.004 0.000 2.429 2018 C HA -0.144 4.315 4.460 -0.002 0.000 0.277 2018 C C 2.756 177.710 174.990 -0.060 0.000 1.262 2018 C CA 0.880 59.843 59.018 -0.092 0.000 1.733 2018 C CB -0.970 26.582 27.740 -0.314 0.000 2.010 2018 C HN 0.586 nan 8.230 nan 0.000 0.483 2019 I N -0.366 120.164 120.570 -0.066 0.000 2.315 2019 I HA -0.215 3.954 4.170 -0.002 0.000 0.248 2019 I C 2.738 178.858 176.117 0.005 0.000 1.117 2019 I CA 1.428 62.684 61.300 -0.073 0.000 1.404 2019 I CB -0.711 37.082 38.000 -0.346 0.000 1.071 2019 I HN 0.550 nan 8.210 nan 0.000 0.419 2020 H N 1.904 120.944 119.070 -0.050 0.000 2.307 2020 H HA -0.178 4.377 4.556 -0.002 0.000 0.303 2020 H C 2.065 177.460 175.328 0.111 0.000 1.073 2020 H CA 2.068 58.121 56.048 0.009 0.000 1.338 2020 H CB 0.071 29.807 29.762 -0.045 0.000 1.389 2020 H HN 0.516 nan 8.280 nan 0.000 0.503 2021 E N 0.303 120.641 120.200 0.231 0.000 2.204 2021 E HA -0.179 4.170 4.350 -0.002 0.000 0.195 2021 E C 2.362 179.028 176.600 0.110 0.000 0.990 2021 E CA 0.921 57.471 56.400 0.250 0.000 0.821 2021 E CB -0.208 29.607 29.700 0.191 0.000 0.750 2021 E HN 0.273 nan 8.360 nan 0.000 0.477 2022 R N -1.004 119.445 120.500 -0.085 0.000 2.223 2022 R HA 0.044 4.383 4.340 -0.002 0.000 0.198 2022 R C 0.363 176.276 176.300 -0.646 0.000 0.984 2022 R CA 0.554 56.415 56.100 -0.398 0.000 1.018 2022 R CB 0.363 30.325 30.300 -0.563 0.000 0.945 2022 R HN 0.254 nan 8.270 nan 0.000 0.479 2023 Y N -1.656 118.628 120.300 -0.028 0.000 2.717 2023 Y HA 0.111 4.660 4.550 -0.002 0.000 0.250 2023 Y C 1.134 176.983 175.900 -0.085 0.000 1.149 2023 Y CA -0.435 57.653 58.100 -0.020 0.000 1.211 2023 Y CB 0.170 38.714 38.460 0.140 0.000 1.289 2023 Y HN 0.224 nan 8.280 nan 0.000 0.552 2024 H N -2.030 116.973 119.070 -0.112 0.000 2.403 2024 H HA -0.045 4.510 4.556 -0.001 0.000 0.298 2024 H C 2.087 177.378 175.328 -0.063 0.000 1.059 2024 H CA 1.409 57.342 56.048 -0.192 0.000 1.363 2024 H CB -0.330 29.146 29.762 -0.477 0.000 1.410 2024 H HN 0.086 nan 8.280 nan 0.000 0.528 2025 S N 1.075 116.408 115.700 -0.611 0.000 2.357 2025 S HA -0.161 4.309 4.470 -0.002 0.000 0.221 2025 S C 2.248 176.777 174.600 -0.120 0.000 1.031 2025 S CA 1.228 59.225 58.200 -0.338 0.000 0.982 2025 S CB -0.926 62.043 63.200 -0.385 0.000 0.853 2025 S HN 0.479 nan 8.310 nan 0.000 0.458 2026 V N -1.226 118.645 119.914 -0.072 0.000 2.719 2026 V HA 0.361 4.480 4.120 -0.002 0.000 0.252 2026 V C 0.829 176.944 176.094 0.034 0.000 1.065 2026 V CA 0.195 62.499 62.300 0.007 0.000 1.086 2026 V CB -0.922 30.936 31.823 0.059 0.000 0.700 2026 V HN 0.394 nan 8.190 nan 0.000 0.467 2027 L N 1.965 123.222 121.223 0.057 0.000 2.264 2027 L HA 0.449 4.788 4.340 -0.002 0.000 0.289 2027 L C 1.241 178.135 176.870 0.040 0.000 1.044 2027 L CA -0.044 54.829 54.840 0.055 0.000 0.807 2027 L CB 1.426 43.544 42.059 0.098 0.000 1.192 2027 L HN 0.286 nan 8.230 nan 0.000 0.425 2028 Q N 5.035 124.851 119.800 0.028 0.000 1.917 2028 Q HA 0.075 4.414 4.340 -0.002 0.000 0.205 2028 Q C -1.324 174.697 176.000 0.035 0.000 0.988 2028 Q CA 0.964 56.782 55.803 0.026 0.000 0.851 2028 Q CB -1.797 26.951 28.738 0.017 0.000 0.916 2028 Q HN 0.571 nan 8.270 nan 0.000 0.424 2029 P HA 0.330 nan 4.420 nan 0.000 0.291 2029 P C -1.175 176.153 177.300 0.046 0.000 1.378 2029 P CA -0.327 62.795 63.100 0.036 0.000 0.853 2029 P CB 0.570 32.286 31.700 0.027 0.000 1.002 2030 L N 3.327 124.583 121.223 0.055 0.000 2.313 2030 L HA 0.419 4.758 4.340 -0.002 0.000 0.273 2030 L C -0.700 176.205 176.870 0.058 0.000 1.028 2030 L CA -0.524 54.354 54.840 0.063 0.000 0.871 2030 L CB 0.570 42.666 42.059 0.061 0.000 1.242 2030 L HN 0.220 nan 8.230 nan 0.000 0.434 2031 D N 4.389 124.814 120.400 0.042 0.000 2.317 2031 D HA 0.447 5.087 4.640 -0.002 0.000 0.234 2031 D C -0.705 175.595 176.300 0.000 0.000 1.112 2031 D CA -0.102 53.914 54.000 0.027 0.000 0.840 2031 D CB 0.749 41.561 40.800 0.021 0.000 1.078 2031 D HN 0.480 nan 8.370 nan 0.000 0.486 2032 I N 3.826 124.387 120.570 -0.015 0.000 2.389 2032 I HA 0.344 4.513 4.170 -0.002 0.000 0.288 2032 I C -0.115 175.930 176.117 -0.119 0.000 0.999 2032 I CA -0.820 60.436 61.300 -0.074 0.000 1.129 2032 I CB 1.624 39.584 38.000 -0.066 0.000 1.288 2032 I HN 0.207 nan 8.210 nan 0.000 0.444 2033 K N 4.868 125.173 120.400 -0.159 0.000 2.316 2033 K HA 0.698 5.017 4.320 -0.002 0.000 0.251 2033 K C -1.254 175.198 176.600 -0.246 0.000 0.934 2033 K CA -0.745 55.453 56.287 -0.149 0.000 0.802 2033 K CB 2.984 35.407 32.500 -0.130 0.000 1.171 2033 K HN 0.238 nan 8.250 nan 0.000 0.426 2034 V N 3.602 123.407 119.914 -0.180 0.000 2.357 2034 V HA 0.288 4.407 4.120 -0.002 0.000 0.284 2034 V C -1.107 175.210 176.094 0.370 0.000 1.018 2034 V CA -0.862 61.414 62.300 -0.040 0.000 0.841 2034 V CB 0.381 32.144 31.823 -0.100 0.000 0.991 2034 V HN 0.565 nan 8.190 nan 0.000 0.437 2035 Y N 3.143 123.544 120.300 0.169 0.000 2.328 2035 Y HA 0.796 5.346 4.550 -0.001 0.000 0.337 2035 Y C 0.421 176.372 175.900 0.085 0.000 1.008 2035 Y CA -1.359 56.852 58.100 0.186 0.000 1.129 2035 Y CB 1.679 40.195 38.460 0.094 0.000 1.185 2035 Y HN 0.736 nan 8.280 nan 0.000 0.476 2036 A N 2.232 125.185 122.820 0.221 0.000 2.549 2036 A HA 0.447 4.766 4.320 -0.002 0.000 0.297 2036 A C 0.253 177.750 177.584 -0.145 0.000 1.061 2036 A CA -0.601 51.322 52.037 -0.190 0.000 0.690 2036 A CB 1.299 19.808 19.000 -0.818 0.000 1.287 2036 A HN 0.592 nan 8.150 nan 0.000 0.402 2037 D N 0.334 120.610 120.400 -0.208 0.000 2.162 2037 D HA 0.042 4.681 4.640 -0.002 0.000 0.203 2037 D C 0.551 176.763 176.300 -0.146 0.000 0.967 2037 D CA 1.415 55.319 54.000 -0.160 0.000 0.840 2037 D CB 0.218 40.870 40.800 -0.248 0.000 0.972 2037 D HN 0.540 nan 8.370 nan 0.000 0.482 2038 R N -1.053 119.281 120.500 -0.277 0.000 2.725 2038 R HA 0.493 4.832 4.340 -0.002 0.000 0.277 2038 R C -1.114 175.000 176.300 -0.309 0.000 0.987 2038 R CA -0.720 55.279 56.100 -0.169 0.000 0.901 2038 R CB 1.720 31.916 30.300 -0.173 0.000 1.207 2038 R HN -0.055 nan 8.270 nan 0.000 0.463 2039 F N -0.994 118.936 119.950 -0.033 0.000 2.746 2039 F HA 0.264 4.790 4.527 -0.001 0.000 0.378 2039 F C 1.669 177.446 175.800 -0.037 0.000 1.165 2039 F CA -0.576 57.403 58.000 -0.035 0.000 1.089 2039 F CB 1.089 40.051 39.000 -0.063 0.000 1.439 2039 F HN 0.534 nan 8.300 nan 0.000 0.516 2040 T N 0.578 115.257 114.554 0.208 0.000 2.824 2040 T HA -0.203 4.146 4.350 -0.002 0.000 0.259 2040 T C -1.237 173.494 174.700 0.053 0.000 1.024 2040 T CA 2.122 64.272 62.100 0.083 0.000 1.164 2040 T CB -1.395 67.491 68.868 0.029 0.000 0.836 2040 T HN 0.392 nan 8.240 nan 0.000 0.485 2041 P HA 0.235 nan 4.420 nan 0.000 0.238 2041 P C 0.807 178.130 177.300 0.039 0.000 1.183 2041 P CA 0.548 63.670 63.100 0.037 0.000 0.813 2041 P CB -0.032 31.684 31.700 0.026 0.000 0.944 2042 L N 0.135 121.385 121.223 0.045 0.000 3.017 2042 L HA 0.305 4.644 4.340 -0.002 0.000 0.255 2042 L C 0.851 177.749 176.870 0.046 0.000 1.247 2042 L CA -0.288 54.577 54.840 0.040 0.000 1.038 2042 L CB -0.241 41.838 42.059 0.034 0.000 1.380 2042 L HN -0.089 nan 8.230 nan 0.000 0.548 2043 T N -5.322 109.263 114.554 0.052 0.000 2.936 2043 T HA 0.261 4.610 4.350 -0.002 0.000 0.282 2043 T C 1.192 175.958 174.700 0.110 0.000 1.003 2043 T CA -0.234 61.916 62.100 0.082 0.000 1.005 2043 T CB 1.714 70.612 68.868 0.049 0.000 1.097 2043 T HN 0.027 nan 8.240 nan 0.000 0.532 2044 T N 1.326 115.984 114.554 0.174 0.000 2.720 2044 T HA -0.119 4.230 4.350 -0.002 0.000 0.268 2044 T C 2.103 176.833 174.700 0.050 0.000 1.037 2044 T CA 2.083 64.250 62.100 0.111 0.000 1.144 2044 T CB -0.987 67.962 68.868 0.134 0.000 0.864 2044 T HN 0.825 nan 8.240 nan 0.000 0.444 2045 T N 2.322 116.909 114.554 0.055 0.000 2.699 2045 T HA -0.160 4.189 4.350 -0.002 0.000 0.268 2045 T C 1.606 176.323 174.700 0.028 0.000 1.036 2045 T CA 1.379 63.498 62.100 0.033 0.000 1.147 2045 T CB -0.475 68.416 68.868 0.038 0.000 0.862 2045 T HN 0.454 nan 8.240 nan 0.000 0.446 2046 D N 0.735 121.155 120.400 0.035 0.000 2.264 2046 D HA -0.037 4.602 4.640 -0.002 0.000 0.208 2046 D C 1.873 178.184 176.300 0.018 0.000 0.966 2046 D CA 0.695 54.713 54.000 0.030 0.000 0.864 2046 D CB 0.012 40.832 40.800 0.034 0.000 0.933 2046 D HN 0.318 nan 8.370 nan 0.000 0.499 2047 V N 0.590 120.508 119.914 0.007 0.000 3.506 2047 V HA 0.125 4.244 4.120 -0.002 0.000 0.263 2047 V C 1.094 177.182 176.094 -0.011 0.000 1.203 2047 V CA 0.095 62.390 62.300 -0.008 0.000 1.133 2047 V CB -0.304 31.498 31.823 -0.034 0.000 0.802 2047 V HN 0.059 nan 8.190 nan 0.000 0.459 2048 A N 0.358 123.170 122.820 -0.013 0.000 2.366 2048 A HA 0.698 5.017 4.320 -0.002 0.000 0.272 2048 A C 1.604 179.171 177.584 -0.029 0.000 1.135 2048 A CA 0.378 52.396 52.037 -0.032 0.000 0.804 2048 A CB 0.814 19.789 19.000 -0.043 0.000 1.064 2048 A HN 0.405 nan 8.150 nan 0.000 0.499 2049 A N 2.301 125.100 122.820 -0.035 0.000 1.903 2049 A HA 0.237 4.556 4.320 -0.002 0.000 0.219 2049 A C 1.977 179.519 177.584 -0.070 0.000 1.191 2049 A CA 2.340 54.358 52.037 -0.033 0.000 0.638 2049 A CB -0.829 18.150 19.000 -0.036 0.000 0.823 2049 A HN 2.625 nan 8.150 nan 0.000 0.451 2050 G N -2.920 105.818 108.800 -0.105 0.000 2.184 2050 G HA2 -0.074 3.885 3.960 -0.002 0.000 0.206 2050 G HA3 -0.074 3.885 3.960 -0.002 0.000 0.206 2050 G C 0.107 174.920 174.900 -0.144 0.000 0.995 2050 G CA 0.128 45.157 45.100 -0.118 0.000 0.651 2050 G HN 1.159 nan 8.290 nan 0.000 0.511 2051 L N 1.021 122.138 121.223 -0.177 0.000 2.540 2051 L HA 0.540 4.879 4.340 -0.002 0.000 0.276 2051 L C 0.535 177.338 176.870 -0.111 0.000 1.212 2051 L CA -0.743 53.979 54.840 -0.197 0.000 0.893 2051 L CB 0.236 42.100 42.059 -0.325 0.000 1.138 2051 L HN 0.240 nan 8.230 nan 0.000 0.491 2052 W N 7.419 128.605 121.300 -0.191 0.000 2.388 2052 W HA 0.444 5.103 4.660 -0.002 0.000 0.308 2052 W C -0.339 176.057 176.519 -0.205 0.000 1.263 2052 W CA -0.112 57.166 57.345 -0.112 0.000 1.286 2052 W CB 0.125 29.600 29.460 0.026 0.000 1.294 2052 W HN 0.668 nan 8.180 nan 0.000 0.493 2053 Q N 7.700 127.089 119.800 -0.685 0.000 2.548 2053 Q HA 0.176 4.515 4.340 -0.002 0.000 0.232 2053 Q C -2.570 172.914 176.000 -0.859 0.000 0.838 2053 Q CA -1.374 53.892 55.803 -0.895 0.000 1.032 2053 Q CB 1.677 30.144 28.738 -0.451 0.000 1.548 2053 Q HN 0.174 nan 8.270 nan 0.000 0.479 2054 P HA 0.141 nan 4.420 nan 0.000 0.286 2054 P C -0.873 176.268 177.300 -0.266 0.000 1.293 2054 P CA -0.237 62.414 63.100 -0.749 0.000 0.770 2054 P CB 0.358 31.627 31.700 -0.718 0.000 1.206 2055 Y N -0.882 119.288 120.300 -0.216 0.000 2.426 2055 Y HA 0.030 4.580 4.550 -0.002 0.000 0.344 2055 Y C 2.012 178.028 175.900 0.194 0.000 1.256 2055 Y CA -0.234 57.844 58.100 -0.037 0.000 1.451 2055 Y CB -0.801 37.580 38.460 -0.132 0.000 1.342 2055 Y HN 0.175 nan 8.280 nan 0.000 0.600 2056 L N 0.650 122.096 121.223 0.372 0.000 2.093 2056 L HA -0.101 4.239 4.340 -0.002 0.000 0.208 2056 L C 0.943 177.905 176.870 0.154 0.000 1.085 2056 L CA 1.194 56.236 54.840 0.337 0.000 0.755 2056 L CB -0.654 41.557 42.059 0.253 0.000 0.904 2056 L HN 0.554 nan 8.230 nan 0.000 0.435 2057 S N -0.762 115.000 115.700 0.104 0.000 2.554 2057 S HA 0.206 4.675 4.470 -0.002 0.000 0.278 2057 S C -0.204 174.422 174.600 0.043 0.000 1.242 2057 S CA -1.095 57.126 58.200 0.036 0.000 1.051 2057 S CB 1.120 64.322 63.200 0.003 0.000 0.986 2057 S HN 0.070 nan 8.310 nan 0.000 0.502 2058 D N 3.295 123.695 120.400 -0.000 0.000 2.515 2058 D HA 0.127 4.766 4.640 -0.002 0.000 0.232 2058 D C -2.044 174.252 176.300 -0.006 0.000 1.157 2058 D CA -0.051 53.941 54.000 -0.014 0.000 0.871 2058 D CB -0.128 40.649 40.800 -0.038 0.000 1.200 2058 D HN 0.420 nan 8.370 nan 0.000 0.466 2059 P HA 0.116 nan 4.420 nan 0.000 0.274 2059 P C 0.747 178.040 177.300 -0.012 0.000 1.237 2059 P CA -0.554 62.534 63.100 -0.020 0.000 0.793 2059 P CB 0.745 32.412 31.700 -0.054 0.000 0.977 2060 N N 0.389 119.097 118.700 0.013 0.000 2.120 2060 N HA -0.123 4.617 4.740 -0.002 0.000 0.188 2060 N C 0.395 175.892 175.510 -0.022 0.000 1.024 2060 N CA 1.180 54.232 53.050 0.004 0.000 0.852 2060 N CB -0.270 38.231 38.487 0.025 0.000 1.003 2060 N HN 0.404 nan 8.380 nan 0.000 0.424 2061 N N 1.380 120.061 118.700 -0.032 0.000 2.426 2061 N HA 0.143 4.882 4.740 -0.002 0.000 0.257 2061 N C -1.777 173.644 175.510 -0.148 0.000 1.002 2061 N CA -2.066 50.933 53.050 -0.085 0.000 0.942 2061 N CB 1.595 40.032 38.487 -0.083 0.000 1.112 2061 N HN -0.008 nan 8.380 nan 0.000 0.499 2062 P HA -0.129 nan 4.420 nan 0.000 0.222 2062 P C 0.711 177.852 177.300 -0.265 0.000 1.147 2062 P CA 1.089 64.091 63.100 -0.163 0.000 0.790 2062 P CB 0.580 32.206 31.700 -0.123 0.000 0.780 2063 Q N 0.193 119.746 119.800 -0.412 0.000 2.170 2063 Q HA -0.171 4.168 4.340 -0.002 0.000 0.203 2063 Q C 2.193 177.555 176.000 -1.064 0.000 0.976 2063 Q CA 1.266 56.615 55.803 -0.757 0.000 0.858 2063 Q CB -0.331 27.834 28.738 -0.956 0.000 0.907 2063 Q HN 0.451 nan 8.270 nan 0.000 0.433 2064 E N 0.359 120.120 120.200 -0.731 0.000 2.085 2064 E HA -0.225 4.125 4.350 -0.002 0.000 0.194 2064 E C 1.985 178.541 176.600 -0.075 0.000 0.994 2064 E CA 0.950 57.201 56.400 -0.249 0.000 0.801 2064 E CB -0.176 29.538 29.700 0.023 0.000 0.743 2064 E HN 0.375 nan 8.360 nan 0.000 0.453 2065 A N 1.864 124.612 122.820 -0.121 0.000 1.940 2065 A HA -0.242 4.077 4.320 -0.002 0.000 0.219 2065 A C 1.764 179.358 177.584 0.016 0.000 1.176 2065 A CA 1.796 53.815 52.037 -0.029 0.000 0.631 2065 A CB -0.308 18.665 19.000 -0.045 0.000 0.814 2065 A HN 0.142 nan 8.150 nan 0.000 0.446 2066 D N -1.248 119.102 120.400 -0.083 0.000 2.123 2066 D HA -0.131 4.508 4.640 -0.002 0.000 0.200 2066 D C 1.770 178.171 176.300 0.169 0.000 0.976 2066 D CA 0.861 54.857 54.000 -0.007 0.000 0.831 2066 D CB -0.301 40.436 40.800 -0.105 0.000 0.974 2066 D HN 0.667 nan 8.370 nan 0.000 0.469 2067 W N 1.817 123.188 121.300 0.118 0.000 2.358 2067 W HA -0.058 4.601 4.660 -0.001 0.000 0.303 2067 W C 2.581 179.225 176.519 0.209 0.000 1.208 2067 W CA 0.299 57.725 57.345 0.136 0.000 1.274 2067 W CB -1.328 28.201 29.460 0.116 0.000 1.138 2067 W HN -0.070 nan 8.180 nan 0.000 0.515 2068 S N 0.118 116.081 115.700 0.438 0.000 2.356 2068 S HA -0.268 4.201 4.470 -0.002 0.000 0.223 2068 S C 1.761 176.726 174.600 0.609 0.000 1.032 2068 S CA 1.931 60.419 58.200 0.480 0.000 1.005 2068 S CB -0.509 62.861 63.200 0.285 0.000 0.867 2068 S HN 0.235 nan 8.310 nan 0.000 0.449 2069 Q N 1.572 121.620 119.800 0.414 0.000 2.061 2069 Q HA -0.166 4.173 4.340 -0.002 0.000 0.204 2069 Q C 2.076 178.265 176.000 0.316 0.000 0.984 2069 Q CA 1.831 57.818 55.803 0.307 0.000 0.846 2069 Q CB -0.454 28.398 28.738 0.190 0.000 0.902 2069 Q HN 0.603 nan 8.270 nan 0.000 0.421 2070 Q N -0.982 119.019 119.800 0.334 0.000 2.096 2070 Q HA -0.146 4.193 4.340 -0.002 0.000 0.204 2070 Q C 2.120 178.376 176.000 0.427 0.000 0.982 2070 Q CA 1.904 57.919 55.803 0.352 0.000 0.850 2070 Q CB -0.190 28.757 28.738 0.348 0.000 0.901 2070 Q HN 0.441 nan 8.270 nan 0.000 0.422 2071 T N 0.920 115.747 114.554 0.455 0.000 2.746 2071 T HA -0.171 4.178 4.350 -0.002 0.000 0.267 2071 T C 1.395 176.261 174.700 0.276 0.000 1.039 2071 T CA 1.187 63.544 62.100 0.428 0.000 1.142 2071 T CB -0.419 68.704 68.868 0.425 0.000 0.866 2071 T HN 0.226 nan 8.240 nan 0.000 0.444 2072 F N 2.338 122.306 119.950 0.029 0.000 2.069 2072 F HA -0.153 4.373 4.527 -0.001 0.000 0.298 2072 F C 2.066 177.732 175.800 -0.222 0.000 1.113 2072 F CA 1.512 59.264 58.000 -0.413 0.000 1.214 2072 F CB -0.276 38.235 39.000 -0.814 0.000 0.978 2072 F HN 0.060 nan 8.300 nan 0.000 0.474 2073 D N -1.005 119.468 120.400 0.121 0.000 2.144 2073 D HA -0.249 4.390 4.640 -0.002 0.000 0.199 2073 D C 1.952 178.249 176.300 -0.006 0.000 0.984 2073 D CA 1.559 55.596 54.000 0.062 0.000 0.834 2073 D CB -0.850 40.037 40.800 0.145 0.000 0.955 2073 D HN 0.461 nan 8.370 nan 0.000 0.465 2074 Y N 1.479 121.739 120.300 -0.067 0.000 2.181 2074 Y HA -0.143 4.406 4.550 -0.002 0.000 0.288 2074 Y C 2.087 177.886 175.900 -0.167 0.000 1.146 2074 Y CA 1.319 59.337 58.100 -0.136 0.000 1.164 2074 Y CB -0.472 37.769 38.460 -0.365 0.000 0.982 2074 Y HN -0.093 nan 8.280 nan 0.000 0.515 2075 L N -0.706 120.209 121.223 -0.513 0.000 2.109 2075 L HA -0.140 4.199 4.340 -0.002 0.000 0.207 2075 L C 2.379 178.926 176.870 -0.538 0.000 1.086 2075 L CA 0.856 55.312 54.840 -0.640 0.000 0.760 2075 L CB -0.648 41.082 42.059 -0.548 0.000 0.910 2075 L HN 0.305 nan 8.230 nan 0.000 0.437 2076 L N 0.112 120.995 121.223 -0.566 0.000 2.083 2076 L HA -0.182 4.157 4.340 -0.002 0.000 0.209 2076 L C 2.790 179.475 176.870 -0.309 0.000 1.083 2076 L CA 2.023 56.570 54.840 -0.489 0.000 0.752 2076 L CB -0.546 41.219 42.059 -0.490 0.000 0.899 2076 L HN 0.353 nan 8.230 nan 0.000 0.433 2077 S N -2.148 113.381 115.700 -0.285 0.000 2.469 2077 S HA -0.214 4.255 4.470 -0.002 0.000 0.238 2077 S C 1.506 175.845 174.600 -0.435 0.000 0.998 2077 S CA 1.419 59.434 58.200 -0.309 0.000 0.957 2077 S CB -0.792 62.218 63.200 -0.316 0.000 0.764 2077 S HN 0.709 nan 8.310 nan 0.000 0.514 2078 H N -0.851 118.018 119.070 -0.335 0.000 2.672 2078 H HA 0.434 4.989 4.556 -0.001 0.000 0.277 2078 H C 1.666 176.798 175.328 -0.326 0.000 1.074 2078 H CA 0.349 56.196 56.048 -0.334 0.000 1.173 2078 H CB 0.727 30.199 29.762 -0.484 0.000 1.558 2078 H HN 0.276 nan 8.280 nan 0.000 0.539 2079 V N 0.354 120.107 119.914 -0.267 0.000 2.427 2079 V HA -0.188 3.932 4.120 -0.002 0.000 0.248 2079 V C 1.000 176.867 176.094 -0.378 0.000 1.051 2079 V CA 1.710 63.788 62.300 -0.370 0.000 1.048 2079 V CB -0.097 31.434 31.823 -0.487 0.000 0.666 2079 V HN 0.568 nan 8.190 nan 0.000 0.456 2080 H N 0.056 119.069 119.070 -0.095 0.000 2.577 2080 H HA 0.403 4.958 4.556 -0.001 0.000 0.306 2080 H C 0.482 175.775 175.328 -0.057 0.000 1.109 2080 H CA 0.580 56.589 56.048 -0.065 0.000 1.063 2080 H CB 0.196 29.924 29.762 -0.057 0.000 1.535 2080 H HN 0.461 nan 8.280 nan 0.000 0.532 2081 S N 0.795 116.499 115.700 0.006 0.000 2.537 2081 S HA 0.304 4.774 4.470 -0.002 0.000 0.301 2081 S C -1.621 172.976 174.600 -0.004 0.000 1.092 2081 S CA -1.495 56.708 58.200 0.006 0.000 1.048 2081 S CB 2.083 65.287 63.200 0.006 0.000 1.053 2081 S HN -0.071 nan 8.310 nan 0.000 0.501 2082 P HA -0.066 nan 4.420 nan 0.000 0.216 2082 P C 0.684 177.979 177.300 -0.008 0.000 1.150 2082 P CA 1.066 64.169 63.100 0.005 0.000 0.837 2082 P CB -0.024 31.685 31.700 0.016 0.000 0.786 2083 N N -0.350 118.345 118.700 -0.009 0.000 2.515 2083 N HA -0.016 4.723 4.740 -0.002 0.000 0.185 2083 N C 1.596 177.035 175.510 -0.119 0.000 1.109 2083 N CA 0.873 53.907 53.050 -0.027 0.000 0.903 2083 N CB -0.429 38.072 38.487 0.024 0.000 0.969 2083 N HN 0.099 nan 8.380 nan 0.000 0.450 2084 A N 2.129 124.871 122.820 -0.130 0.000 1.927 2084 A HA -0.249 4.070 4.320 -0.002 0.000 0.220 2084 A C 2.178 179.671 177.584 -0.151 0.000 1.185 2084 A CA 1.497 53.422 52.037 -0.187 0.000 0.639 2084 A CB -0.588 18.321 19.000 -0.152 0.000 0.820 2084 A HN 0.263 nan 8.150 nan 0.000 0.451 2085 E N 0.195 120.345 120.200 -0.085 0.000 2.097 2085 E HA -0.256 4.093 4.350 -0.002 0.000 0.196 2085 E C 1.616 178.188 176.600 -0.046 0.000 1.000 2085 E CA 1.694 58.065 56.400 -0.049 0.000 0.804 2085 E CB -0.287 29.392 29.700 -0.036 0.000 0.740 2085 E HN 0.636 nan 8.360 nan 0.000 0.454 2086 N N 0.484 119.149 118.700 -0.058 0.000 2.120 2086 N HA -0.152 4.588 4.740 -0.002 0.000 0.188 2086 N C 1.871 177.343 175.510 -0.063 0.000 1.024 2086 N CA 0.752 53.788 53.050 -0.023 0.000 0.852 2086 N CB -0.452 38.061 38.487 0.043 0.000 1.003 2086 N HN 0.141 nan 8.380 nan 0.000 0.424 2087 L N 0.042 121.119 121.223 -0.243 0.000 2.275 2087 L HA 0.077 4.416 4.340 -0.002 0.000 0.215 2087 L C 1.195 178.012 176.870 -0.089 0.000 1.119 2087 L CA 0.939 55.623 54.840 -0.261 0.000 0.790 2087 L CB -0.831 40.899 42.059 -0.548 0.000 0.919 2087 L HN 0.353 nan 8.230 nan 0.000 0.443 2088 G N 0.072 108.836 108.800 -0.060 0.000 2.248 2088 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.263 2088 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.263 2088 G C -0.078 174.805 174.900 -0.028 0.000 1.082 2088 G CA 0.154 45.265 45.100 0.018 0.000 0.863 2088 G HN 0.227 nan 8.290 nan 0.000 0.495 2089 L N 0.289 121.471 121.223 -0.069 0.000 2.322 2089 L HA 0.933 5.272 4.340 -0.002 0.000 0.281 2089 L C 0.120 176.983 176.870 -0.013 0.000 1.014 2089 L CA -1.228 53.497 54.840 -0.193 0.000 0.815 2089 L CB 1.210 43.084 42.059 -0.307 0.000 1.247 2089 L HN 0.481 nan 8.230 nan 0.000 0.421 2090 F N 2.566 122.400 119.950 -0.194 0.000 2.807 2090 F HA 0.482 5.008 4.527 -0.002 0.000 0.316 2090 F C -1.950 173.762 175.800 -0.147 0.000 1.162 2090 F CA -1.207 56.687 58.000 -0.176 0.000 0.910 2090 F CB 0.941 39.866 39.000 -0.124 0.000 1.314 2090 F HN 0.141 nan 8.300 nan 0.000 0.454 2091 L N 2.683 123.973 121.223 0.112 0.000 2.350 2091 L HA 0.671 5.010 4.340 -0.002 0.000 0.275 2091 L C -0.534 176.452 176.870 0.193 0.000 1.099 2091 L CA -0.801 54.073 54.840 0.057 0.000 0.808 2091 L CB 1.630 43.718 42.059 0.048 0.000 1.149 2091 L HN 0.752 nan 8.230 nan 0.000 0.442 2092 I N 1.015 121.661 120.570 0.128 0.000 2.775 2092 I HA 0.307 4.477 4.170 -0.002 0.000 0.295 2092 I C -0.892 175.299 176.117 0.124 0.000 1.287 2092 I CA 0.045 61.443 61.300 0.163 0.000 1.029 2092 I CB 2.301 40.438 38.000 0.229 0.000 1.282 2092 I HN 0.520 nan 8.210 nan 0.000 0.426 2093 S N 3.486 119.147 115.700 -0.065 0.000 2.621 2093 S HA 1.021 5.490 4.470 -0.002 0.000 0.302 2093 S C -0.254 173.701 174.600 -1.075 0.000 1.093 2093 S CA -0.260 57.703 58.200 -0.396 0.000 1.017 2093 S CB 1.855 64.965 63.200 -0.150 0.000 1.077 2093 S HN 1.030 nan 8.310 nan 0.000 0.517 2094 G N 0.292 107.825 108.800 -2.111 0.000 2.349 2094 G HA2 0.482 4.441 3.960 -0.002 0.000 0.294 2094 G HA3 0.482 4.441 3.960 -0.002 0.000 0.294 2094 G C -2.419 171.357 174.900 -1.874 0.000 1.380 2094 G CA -0.763 42.849 45.100 -2.481 0.000 0.811 2094 G HN 0.478 nan 8.290 nan 0.000 0.519 2095 Y N 0.609 120.441 120.300 -0.780 0.000 2.342 2095 Y HA 0.515 5.064 4.550 -0.002 0.000 0.334 2095 Y C 0.692 176.546 175.900 -0.077 0.000 1.067 2095 Y CA -0.789 57.115 58.100 -0.326 0.000 1.128 2095 Y CB 1.655 39.865 38.460 -0.417 0.000 1.200 2095 Y HN 0.246 nan 8.280 nan 0.000 0.464 2096 N N 4.335 123.118 118.700 0.138 0.000 2.446 2096 N HA 0.434 5.173 4.740 -0.002 0.000 0.265 2096 N C -1.467 173.805 175.510 -0.397 0.000 0.975 2096 N CA -0.394 52.648 53.050 -0.013 0.000 0.928 2096 N CB 1.501 40.100 38.487 0.187 0.000 1.160 2096 N HN 0.511 nan 8.380 nan 0.000 0.495 2097 L N 2.772 123.603 121.223 -0.652 0.000 2.334 2097 L HA 0.637 4.976 4.340 -0.002 0.000 0.276 2097 L C -0.795 175.618 176.870 -0.763 0.000 1.014 2097 L CA -0.705 53.710 54.840 -0.709 0.000 0.815 2097 L CB 0.904 42.315 42.059 -1.080 0.000 1.268 2097 L HN 0.319 nan 8.230 nan 0.000 0.428 2098 F N -0.216 119.756 119.950 0.036 0.000 2.613 2098 F HA 0.409 4.935 4.527 -0.001 0.000 0.314 2098 F C 1.127 177.048 175.800 0.201 0.000 1.075 2098 F CA -0.745 57.349 58.000 0.157 0.000 0.945 2098 F CB 1.374 40.459 39.000 0.141 0.000 1.310 2098 F HN 0.402 nan 8.300 nan 0.000 0.467 2099 H N -0.554 118.771 119.070 0.425 0.000 2.448 2099 H HA 0.181 4.736 4.556 -0.002 0.000 0.292 2099 H C 0.083 175.515 175.328 0.174 0.000 1.035 2099 H CA 1.033 57.201 56.048 0.199 0.000 1.349 2099 H CB 0.615 30.425 29.762 0.079 0.000 1.425 2099 H HN 0.423 nan 8.280 nan 0.000 0.539 2100 E N -0.315 120.051 120.200 0.276 0.000 2.433 2100 E HA 0.478 4.827 4.350 -0.002 0.000 0.273 2100 E C -0.814 175.688 176.600 -0.164 0.000 0.950 2100 E CA -1.020 55.425 56.400 0.074 0.000 0.796 2100 E CB 2.316 32.033 29.700 0.027 0.000 1.330 2100 E HN 0.082 nan 8.360 nan 0.000 0.455 2101 A N 1.857 124.417 122.820 -0.434 0.000 2.476 2101 A HA 0.258 4.577 4.320 -0.002 0.000 0.275 2101 A C -0.074 177.143 177.584 -0.613 0.000 1.133 2101 A CA 0.212 51.650 52.037 -0.998 0.000 0.797 2101 A CB -0.707 17.849 19.000 -0.741 0.000 1.081 2101 A HN 0.340 nan 8.150 nan 0.000 0.510 2102 I N 4.898 125.072 120.570 -0.660 0.000 2.498 2102 I HA 0.407 4.576 4.170 -0.002 0.000 0.301 2102 I C -1.719 174.307 176.117 -0.152 0.000 0.984 2102 I CA -1.883 59.188 61.300 -0.383 0.000 1.204 2102 I CB 1.788 39.433 38.000 -0.592 0.000 1.362 2102 I HN 0.506 nan 8.210 nan 0.000 0.471 2103 P HA 0.147 nan 4.420 nan 0.000 0.275 2103 P C -1.080 176.230 177.300 0.016 0.000 1.228 2103 P CA -0.427 62.660 63.100 -0.021 0.000 0.786 2103 P CB 0.389 32.048 31.700 -0.068 0.000 0.927 2104 D N 2.792 123.162 120.400 -0.049 0.000 2.667 2104 D HA -0.013 4.626 4.640 -0.002 0.000 0.226 2104 D C -1.659 174.314 176.300 -0.546 0.000 1.137 2104 D CA 0.200 53.987 54.000 -0.355 0.000 0.855 2104 D CB -0.592 39.977 40.800 -0.386 0.000 1.194 2104 D HN 0.344 nan 8.370 nan 0.000 0.492 2105 P HA 0.081 nan 4.420 nan 0.000 0.276 2105 P C 0.285 177.014 177.300 -0.951 0.000 1.252 2105 P CA -0.450 62.014 63.100 -1.061 0.000 0.802 2105 P CB 0.899 31.397 31.700 -2.005 0.000 1.035 2106 S N -0.114 115.198 115.700 -0.646 0.000 2.481 2106 S HA -0.065 4.404 4.470 -0.002 0.000 0.231 2106 S C 1.292 175.707 174.600 -0.308 0.000 0.996 2106 S CA 0.098 58.069 58.200 -0.382 0.000 0.942 2106 S CB -0.927 62.165 63.200 -0.181 0.000 0.768 2106 S HN 0.720 nan 8.310 nan 0.000 0.520 2107 W N 2.937 124.087 121.300 -0.249 0.000 3.388 2107 W HA 0.339 4.998 4.660 -0.001 0.000 0.324 2107 W C 1.148 177.455 176.519 -0.353 0.000 1.250 2107 W CA -0.055 57.167 57.345 -0.204 0.000 1.809 2107 W CB -0.598 28.829 29.460 -0.056 0.000 1.083 2107 W HN 0.453 nan 8.180 nan 0.000 0.685 2108 K N 1.276 121.257 120.400 -0.699 0.000 2.113 2108 K HA -0.220 4.099 4.320 -0.002 0.000 0.208 2108 K C 0.728 177.105 176.600 -0.372 0.000 1.047 2108 K CA 2.005 57.753 56.287 -0.899 0.000 0.928 2108 K CB -0.505 31.117 32.500 -1.463 0.000 0.716 2108 K HN -0.071 nan 8.250 nan 0.000 0.446 2109 D N 0.345 120.598 120.400 -0.246 0.000 2.339 2109 D HA 0.019 4.658 4.640 -0.002 0.000 0.217 2109 D C 0.940 177.168 176.300 -0.120 0.000 1.050 2109 D CA 0.489 54.408 54.000 -0.135 0.000 0.856 2109 D CB 0.660 41.394 40.800 -0.111 0.000 0.922 2109 D HN 0.296 nan 8.370 nan 0.000 0.518 2110 T N 0.448 114.909 114.554 -0.155 0.000 2.866 2110 T HA 0.012 4.361 4.350 -0.002 0.000 0.250 2110 T C 1.383 175.699 174.700 -0.639 0.000 1.033 2110 T CA 0.319 62.224 62.100 -0.326 0.000 1.145 2110 T CB 0.194 68.907 68.868 -0.259 0.000 0.866 2110 T HN 0.074 nan 8.240 nan 0.000 0.434 2111 V N 0.795 120.431 119.914 -0.463 0.000 3.319 2111 V HA 0.396 4.515 4.120 -0.002 0.000 0.303 2111 V C -0.052 176.030 176.094 -0.021 0.000 1.094 2111 V CA -1.153 60.933 62.300 -0.357 0.000 1.106 2111 V CB -0.053 31.758 31.823 -0.020 0.000 1.099 2111 V HN 0.045 nan 8.190 nan 0.000 0.476 2112 L N 2.922 124.250 121.223 0.174 0.000 2.265 2112 L HA 0.673 5.012 4.340 -0.002 0.000 0.288 2112 L C 1.159 178.182 176.870 0.255 0.000 1.058 2112 L CA 1.212 56.175 54.840 0.206 0.000 0.809 2112 L CB -0.038 42.160 42.059 0.231 0.000 1.179 2112 L HN 1.251 nan 8.230 nan 0.000 0.429 2113 G N 3.137 112.062 108.800 0.208 0.000 2.272 2113 G HA2 -0.337 3.622 3.960 -0.002 0.000 0.280 2113 G HA3 -0.337 3.622 3.960 -0.002 0.000 0.280 2113 G C 0.173 175.234 174.900 0.268 0.000 1.067 2113 G CA -0.105 45.121 45.100 0.210 0.000 0.902 2113 G HN 0.500 nan 8.290 nan 0.000 0.500 2114 F N 1.456 121.484 119.950 0.131 0.000 2.607 2114 F HA 0.486 5.012 4.527 -0.002 0.000 0.374 2114 F C 1.135 176.984 175.800 0.083 0.000 1.104 2114 F CA 0.701 58.766 58.000 0.108 0.000 1.296 2114 F CB 0.484 39.439 39.000 -0.075 0.000 1.085 2114 F HN 0.639 nan 8.300 nan 0.000 0.584 2115 R N 3.828 123.993 120.500 -0.559 0.000 2.716 2115 R HA 0.475 4.814 4.340 -0.002 0.000 0.271 2115 R C -1.790 174.257 176.300 -0.421 0.000 1.028 2115 R CA -1.381 54.523 56.100 -0.326 0.000 0.883 2115 R CB 1.203 31.452 30.300 -0.085 0.000 1.250 2115 R HN 0.466 nan 8.270 nan 0.000 0.465 2116 K N 1.260 121.555 120.400 -0.176 0.000 2.144 2116 K HA 0.349 4.668 4.320 -0.002 0.000 0.270 2116 K C -0.149 176.430 176.600 -0.035 0.000 1.005 2116 K CA -0.616 55.625 56.287 -0.076 0.000 0.932 2116 K CB 0.981 33.475 32.500 -0.010 0.000 1.021 2116 K HN 0.319 nan 8.250 nan 0.000 0.462 2117 L N 2.112 123.328 121.223 -0.013 0.000 2.439 2117 L HA 0.093 4.432 4.340 -0.002 0.000 0.269 2117 L C 0.946 177.833 176.870 0.027 0.000 1.179 2117 L CA -0.172 54.696 54.840 0.047 0.000 0.828 2117 L CB 0.497 42.631 42.059 0.126 0.000 1.106 2117 L HN 0.794 nan 8.230 nan 0.000 0.467 2118 T N -1.173 113.400 114.554 0.032 0.000 2.874 2118 T HA 0.270 4.619 4.350 -0.002 0.000 0.281 2118 T C -1.917 172.808 174.700 0.042 0.000 0.994 2118 T CA -1.834 60.282 62.100 0.026 0.000 1.015 2118 T CB 1.394 70.263 68.868 0.002 0.000 1.028 2118 T HN 0.327 nan 8.240 nan 0.000 0.523 2119 P HA -0.108 nan 4.420 nan 0.000 0.216 2119 P C 1.686 178.998 177.300 0.020 0.000 1.153 2119 P CA 1.185 64.308 63.100 0.039 0.000 0.858 2119 P CB 0.057 31.776 31.700 0.031 0.000 0.789 2120 R N -0.202 120.299 120.500 0.002 0.000 2.091 2120 R HA -0.159 4.180 4.340 -0.002 0.000 0.238 2120 R C 2.267 178.542 176.300 -0.040 0.000 1.136 2120 R CA 1.558 57.645 56.100 -0.022 0.000 0.959 2120 R CB -0.620 29.663 30.300 -0.028 0.000 0.856 2120 R HN 0.361 nan 8.270 nan 0.000 0.437 2121 E N 0.508 120.703 120.200 -0.009 0.000 2.150 2121 E HA -0.124 4.225 4.350 -0.002 0.000 0.193 2121 E C 1.959 178.567 176.600 0.013 0.000 0.985 2121 E CA 0.749 57.152 56.400 0.004 0.000 0.814 2121 E CB 0.004 29.779 29.700 0.125 0.000 0.752 2121 E HN 0.289 nan 8.360 nan 0.000 0.466 2122 L N 1.175 122.443 121.223 0.076 0.000 2.275 2122 L HA -0.150 4.189 4.340 -0.002 0.000 0.215 2122 L C 1.568 178.471 176.870 0.056 0.000 1.119 2122 L CA 0.575 55.495 54.840 0.133 0.000 0.790 2122 L CB -0.177 41.963 42.059 0.136 0.000 0.919 2122 L HN 0.096 nan 8.230 nan 0.000 0.443 2123 D N -0.094 120.288 120.400 -0.029 0.000 2.224 2123 D HA -0.138 4.501 4.640 -0.002 0.000 0.205 2123 D C 2.231 178.436 176.300 -0.158 0.000 0.965 2123 D CA 1.104 55.067 54.000 -0.062 0.000 0.852 2123 D CB 0.061 40.826 40.800 -0.058 0.000 0.947 2123 D HN 0.378 nan 8.370 nan 0.000 0.494 2124 M N -0.406 118.985 119.600 -0.347 0.000 2.394 2124 M HA -0.058 4.422 4.480 -0.002 0.000 0.264 2124 M C 0.002 175.886 176.300 -0.694 0.000 1.073 2124 M CA 0.818 55.747 55.300 -0.619 0.000 1.111 2124 M CB 0.092 32.090 32.600 -1.004 0.000 1.401 2124 M HN -0.143 nan 8.290 nan 0.000 0.448 2125 F N 0.300 120.222 119.950 -0.046 0.000 2.319 2125 F HA 0.313 4.839 4.527 -0.002 0.000 0.356 2125 F C -1.629 174.222 175.800 0.085 0.000 1.100 2125 F CA -2.930 55.077 58.000 0.012 0.000 1.220 2125 F CB -0.471 38.512 39.000 -0.027 0.000 1.506 2125 F HN -0.121 nan 8.300 nan 0.000 0.512 2126 P HA -0.224 nan 4.420 nan 0.000 0.215 2126 P C 0.559 177.910 177.300 0.085 0.000 1.163 2126 P CA 1.702 64.857 63.100 0.092 0.000 0.894 2126 P CB 0.301 32.031 31.700 0.050 0.000 0.791 2127 D N -2.525 117.912 120.400 0.062 0.000 2.392 2127 D HA -0.040 4.599 4.640 -0.002 0.000 0.228 2127 D C 0.037 176.051 176.300 -0.478 0.000 1.003 2127 D CA 0.817 54.716 54.000 -0.169 0.000 0.917 2127 D CB -0.484 40.167 40.800 -0.249 0.000 0.890 2127 D HN 0.324 nan 8.370 nan 0.000 0.532 2128 Y N -1.755 118.573 120.300 0.047 0.000 2.536 2128 Y HA 0.572 5.121 4.550 -0.002 0.000 0.347 2128 Y C 1.223 177.180 175.900 0.095 0.000 1.000 2128 Y CA -1.067 57.033 58.100 -0.000 0.000 1.051 2128 Y CB 2.490 40.902 38.460 -0.081 0.000 1.259 2128 Y HN -0.201 nan 8.280 nan 0.000 0.468 2129 G N 0.093 109.058 108.800 0.274 0.000 3.146 2129 G HA2 0.134 4.093 3.960 -0.002 0.000 0.238 2129 G HA3 0.134 4.093 3.960 -0.002 0.000 0.238 2129 G C -1.259 173.843 174.900 0.338 0.000 1.022 2129 G CA 0.219 45.469 45.100 0.251 0.000 0.880 2129 G HN 0.484 nan 8.290 nan 0.000 0.533 2130 Y N -0.424 120.000 120.300 0.206 0.000 2.592 2130 Y HA 0.574 5.123 4.550 -0.002 0.000 0.334 2130 Y C -0.275 175.771 175.900 0.243 0.000 1.136 2130 Y CA -0.365 57.854 58.100 0.198 0.000 1.042 2130 Y CB 1.841 40.396 38.460 0.157 0.000 1.325 2130 Y HN 0.312 nan 8.280 nan 0.000 0.457 2131 G N 1.822 110.409 108.800 -0.355 0.000 2.523 2131 G HA2 0.447 4.406 3.960 -0.002 0.000 0.291 2131 G HA3 0.447 4.406 3.960 -0.002 0.000 0.291 2131 G C -2.386 172.435 174.900 -0.132 0.000 1.450 2131 G CA -0.887 44.121 45.100 -0.153 0.000 0.790 2131 G HN 0.468 nan 8.290 nan 0.000 0.496 2132 W N -0.744 120.613 121.300 0.095 0.000 2.736 2132 W HA 0.814 5.473 4.660 -0.002 0.000 0.355 2132 W C -1.154 175.385 176.519 0.033 0.000 1.102 2132 W CA -1.722 55.596 57.345 -0.045 0.000 1.164 2132 W CB 1.604 31.088 29.460 0.039 0.000 1.422 2132 W HN 0.431 nan 8.180 nan 0.000 0.572 2133 F N 2.228 122.185 119.950 0.013 0.000 2.565 2133 F HA 0.516 5.042 4.527 -0.001 0.000 0.313 2133 F C 0.016 175.829 175.800 0.021 0.000 1.091 2133 F CA -0.293 57.634 58.000 -0.121 0.000 0.915 2133 F CB 1.370 40.240 39.000 -0.218 0.000 1.208 2133 F HN 0.414 nan 8.300 nan 0.000 0.453 2134 H N 0.737 119.731 119.070 -0.126 0.000 2.902 2134 H HA 0.408 4.963 4.556 -0.002 0.000 0.297 2134 H C -1.960 173.402 175.328 0.057 0.000 1.406 2134 H CA -1.032 55.107 56.048 0.152 0.000 1.134 2134 H CB 1.342 31.335 29.762 0.385 0.000 1.833 2134 H HN 0.408 nan 8.280 nan 0.000 0.527 2135 T N 1.308 116.053 114.554 0.319 0.000 2.786 2135 T HA 0.427 4.776 4.350 -0.002 0.000 0.283 2135 T C -0.070 174.885 174.700 0.425 0.000 0.992 2135 T CA -0.366 61.880 62.100 0.245 0.000 0.954 2135 T CB 1.693 70.695 68.868 0.223 0.000 0.934 2135 T HN 0.622 nan 8.240 nan 0.000 0.440 2136 S N 2.741 118.676 115.700 0.392 0.000 2.993 2136 S HA 0.865 5.335 4.470 -0.002 0.000 0.281 2136 S C -1.245 173.461 174.600 0.177 0.000 1.033 2136 S CA -0.682 57.773 58.200 0.425 0.000 0.950 2136 S CB 0.540 64.016 63.200 0.459 0.000 1.349 2136 S HN 0.557 nan 8.310 nan 0.000 0.652 2137 L N 1.196 122.466 121.223 0.077 0.000 2.371 2137 L HA 0.636 4.975 4.340 -0.002 0.000 0.262 2137 L C -1.197 175.534 176.870 -0.232 0.000 1.006 2137 L CA -0.594 54.140 54.840 -0.177 0.000 0.818 2137 L CB 1.960 43.810 42.059 -0.348 0.000 1.354 2137 L HN 0.540 nan 8.230 nan 0.000 0.415 2138 I N 2.833 123.098 120.570 -0.508 0.000 2.406 2138 I HA 0.303 4.472 4.170 -0.002 0.000 0.290 2138 I C -1.063 174.761 176.117 -0.488 0.000 0.999 2138 I CA -0.599 60.373 61.300 -0.546 0.000 1.124 2138 I CB 2.177 39.668 38.000 -0.848 0.000 1.289 2138 I HN 0.296 nan 8.210 nan 0.000 0.441 2139 L N 7.278 128.312 121.223 -0.314 0.000 2.356 2139 L HA 0.362 4.701 4.340 -0.002 0.000 0.264 2139 L C -0.061 176.688 176.870 -0.203 0.000 1.029 2139 L CA -0.103 54.550 54.840 -0.313 0.000 0.897 2139 L CB 0.642 42.468 42.059 -0.389 0.000 1.256 2139 L HN 0.462 nan 8.230 nan 0.000 0.444 2140 E N 2.796 122.918 120.200 -0.129 0.000 2.406 2140 E HA 0.062 4.411 4.350 -0.002 0.000 0.258 2140 E C 1.040 177.653 176.600 0.023 0.000 1.043 2140 E CA 0.536 56.917 56.400 -0.031 0.000 0.929 2140 E CB 0.963 30.682 29.700 0.031 0.000 0.969 2140 E HN 0.868 nan 8.360 nan 0.000 0.462 2141 G N 4.154 112.970 108.800 0.027 0.000 2.440 2141 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.218 2141 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.218 2141 G C 1.426 176.385 174.900 0.099 0.000 1.154 2141 G CA 0.813 45.957 45.100 0.074 0.000 0.767 2141 G HN 0.464 nan 8.290 nan 0.000 0.552 2142 K N 0.429 120.871 120.400 0.069 0.000 2.025 2142 K HA -0.080 4.239 4.320 -0.002 0.000 0.207 2142 K C 2.397 179.045 176.600 0.080 0.000 1.049 2142 K CA 1.469 57.793 56.287 0.062 0.000 0.933 2142 K CB -0.246 32.281 32.500 0.044 0.000 0.714 2142 K HN 0.368 nan 8.250 nan 0.000 0.438 2143 N N -0.536 118.219 118.700 0.091 0.000 2.084 2143 N HA -0.209 4.530 4.740 -0.002 0.000 0.190 2143 N C 1.649 177.267 175.510 0.181 0.000 1.030 2143 N CA 1.424 54.539 53.050 0.107 0.000 0.849 2143 N CB -0.291 38.244 38.487 0.081 0.000 1.012 2143 N HN 0.191 nan 8.380 nan 0.000 0.423 2144 Y N 0.924 121.246 120.300 0.038 0.000 2.274 2144 Y HA -0.035 4.515 4.550 -0.001 0.000 0.290 2144 Y C 1.863 177.863 175.900 0.166 0.000 1.145 2144 Y CA 0.826 58.975 58.100 0.081 0.000 1.203 2144 Y CB -0.290 38.162 38.460 -0.013 0.000 0.984 2144 Y HN 0.018 nan 8.280 nan 0.000 0.533 2145 L N 0.108 121.374 121.223 0.072 0.000 2.072 2145 L HA -0.152 4.187 4.340 -0.002 0.000 0.205 2145 L C 2.391 179.248 176.870 -0.022 0.000 1.079 2145 L CA 1.764 56.588 54.840 -0.027 0.000 0.752 2145 L CB -1.130 40.943 42.059 0.023 0.000 0.906 2145 L HN 0.221 nan 8.230 nan 0.000 0.436 2146 Q N -1.823 117.996 119.800 0.032 0.000 2.167 2146 Q HA -0.250 4.089 4.340 -0.002 0.000 0.202 2146 Q C 1.991 178.013 176.000 0.037 0.000 0.970 2146 Q CA 1.591 57.401 55.803 0.012 0.000 0.855 2146 Q CB -0.541 28.216 28.738 0.031 0.000 0.911 2146 Q HN 0.533 nan 8.270 nan 0.000 0.438 2147 W N -0.023 121.222 121.300 -0.093 0.000 2.378 2147 W HA -0.104 4.555 4.660 -0.001 0.000 0.313 2147 W C 1.487 177.924 176.519 -0.138 0.000 1.197 2147 W CA 1.493 58.783 57.345 -0.093 0.000 1.304 2147 W CB -0.384 29.048 29.460 -0.048 0.000 1.148 2147 W HN 0.181 nan 8.180 nan 0.000 0.494 2148 L N -0.148 120.988 121.223 -0.146 0.000 2.083 2148 L HA -0.252 4.087 4.340 -0.002 0.000 0.209 2148 L C 2.406 179.132 176.870 -0.240 0.000 1.083 2148 L CA 1.810 56.471 54.840 -0.300 0.000 0.752 2148 L CB -1.196 40.717 42.059 -0.243 0.000 0.899 2148 L HN -0.056 nan 8.230 nan 0.000 0.433 2149 T N -0.865 113.576 114.554 -0.188 0.000 2.708 2149 T HA -0.207 4.142 4.350 -0.002 0.000 0.266 2149 T C 1.729 176.302 174.700 -0.211 0.000 1.037 2149 T CA 1.434 63.405 62.100 -0.216 0.000 1.146 2149 T CB -0.146 68.546 68.868 -0.294 0.000 0.865 2149 T HN 0.376 nan 8.240 nan 0.000 0.435 2150 E N 0.447 120.504 120.200 -0.238 0.000 2.058 2150 E HA -0.143 4.206 4.350 -0.002 0.000 0.194 2150 E C 2.566 179.001 176.600 -0.275 0.000 0.997 2150 E CA 0.969 57.229 56.400 -0.233 0.000 0.801 2150 E CB -0.059 29.508 29.700 -0.222 0.000 0.746 2150 E HN 0.118 nan 8.360 nan 0.000 0.450 2151 R N 0.279 120.520 120.500 -0.432 0.000 2.080 2151 R HA -0.130 4.209 4.340 -0.002 0.000 0.236 2151 R C 2.128 178.261 176.300 -0.279 0.000 1.137 2151 R CA 0.954 56.788 56.100 -0.443 0.000 0.943 2151 R CB -0.632 29.248 30.300 -0.701 0.000 0.846 2151 R HN 0.105 nan 8.270 nan 0.000 0.431 2152 L N 0.081 121.189 121.223 -0.192 0.000 2.083 2152 L HA -0.148 4.191 4.340 -0.002 0.000 0.209 2152 L C 1.983 178.818 176.870 -0.059 0.000 1.083 2152 L CA 1.974 56.757 54.840 -0.095 0.000 0.752 2152 L CB -1.179 40.962 42.059 0.136 0.000 0.899 2152 L HN 0.273 nan 8.230 nan 0.000 0.433 2153 T N -0.316 114.241 114.554 0.004 0.000 2.737 2153 T HA -0.180 4.169 4.350 -0.002 0.000 0.265 2153 T C 1.367 176.022 174.700 -0.075 0.000 1.038 2153 T CA 1.285 63.394 62.100 0.015 0.000 1.144 2153 T CB -0.237 68.617 68.868 -0.024 0.000 0.866 2153 T HN 0.589 nan 8.240 nan 0.000 0.434 2154 E N 1.169 121.299 120.200 -0.117 0.000 2.505 2154 E HA -0.019 4.330 4.350 -0.002 0.000 0.197 2154 E C 1.351 177.858 176.600 -0.155 0.000 1.111 2154 E CA 0.367 56.695 56.400 -0.121 0.000 0.887 2154 E CB -0.105 29.523 29.700 -0.120 0.000 0.913 2154 E HN 0.362 nan 8.360 nan 0.000 0.517 2155 R N -0.576 119.796 120.500 -0.213 0.000 2.535 2155 R HA 0.208 4.547 4.340 -0.002 0.000 0.323 2155 R C 0.794 176.950 176.300 -0.239 0.000 0.979 2155 R CA 0.296 56.199 56.100 -0.327 0.000 1.120 2155 R CB 1.278 31.160 30.300 -0.698 0.000 1.306 2155 R HN 0.285 nan 8.270 nan 0.000 0.540 2156 G N 0.954 109.671 108.800 -0.139 0.000 2.143 2156 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.249 2156 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.249 2156 G C 0.102 174.949 174.900 -0.088 0.000 0.981 2156 G CA 0.016 45.071 45.100 -0.074 0.000 0.665 2156 G HN 0.114 nan 8.290 nan 0.000 0.528 2157 V N 1.348 121.169 119.914 -0.155 0.000 2.508 2157 V HA 0.389 4.508 4.120 -0.002 0.000 0.281 2157 V C 0.756 176.681 176.094 -0.282 0.000 1.041 2157 V CA 0.116 62.274 62.300 -0.235 0.000 1.016 2157 V CB 1.308 32.938 31.823 -0.322 0.000 0.984 2157 V HN 0.313 nan 8.190 nan 0.000 0.478 2158 K N 4.087 124.305 120.400 -0.304 0.000 2.156 2158 K HA 0.665 4.984 4.320 -0.002 0.000 0.250 2158 K C -1.302 174.993 176.600 -0.508 0.000 0.955 2158 K CA -0.480 55.633 56.287 -0.290 0.000 0.855 2158 K CB 2.000 34.418 32.500 -0.137 0.000 1.101 2158 K HN 0.425 nan 8.250 nan 0.000 0.434 2159 F N 1.305 121.042 119.950 -0.355 0.000 2.532 2159 F HA 0.491 5.017 4.527 -0.002 0.000 0.321 2159 F C -0.548 174.967 175.800 -0.475 0.000 1.089 2159 F CA -0.759 57.131 58.000 -0.184 0.000 0.926 2159 F CB 1.184 40.067 39.000 -0.195 0.000 1.168 2159 F HN 0.304 nan 8.300 nan 0.000 0.459 2160 F N 1.403 121.592 119.950 0.399 0.000 2.561 2160 F HA 0.311 4.837 4.527 -0.002 0.000 0.313 2160 F C -0.309 175.670 175.800 0.297 0.000 1.126 2160 F CA -0.946 57.202 58.000 0.246 0.000 0.918 2160 F CB 1.809 40.925 39.000 0.194 0.000 1.199 2160 F HN 0.290 nan 8.300 nan 0.000 0.444 2161 Q N 5.398 125.394 119.800 0.326 0.000 2.323 2161 Q HA 0.460 4.799 4.340 -0.002 0.000 0.257 2161 Q C -0.814 175.276 176.000 0.150 0.000 1.022 2161 Q CA -0.182 55.823 55.803 0.336 0.000 0.919 2161 Q CB 0.796 29.651 28.738 0.195 0.000 1.220 2161 Q HN 0.958 nan 8.270 nan 0.000 0.427 2162 R N 1.847 122.402 120.500 0.090 0.000 2.725 2162 R HA 0.273 4.612 4.340 -0.002 0.000 0.254 2162 R C -1.437 174.822 176.300 -0.067 0.000 1.076 2162 R CA -0.866 55.208 56.100 -0.044 0.000 0.940 2162 R CB 0.699 30.897 30.300 -0.170 0.000 1.260 2162 R HN 0.259 nan 8.270 nan 0.000 0.466 2163 K N 3.139 123.487 120.400 -0.087 0.000 2.250 2163 K HA 0.180 4.499 4.320 -0.002 0.000 0.285 2163 K C -0.438 176.099 176.600 -0.104 0.000 1.097 2163 K CA -0.464 55.759 56.287 -0.106 0.000 0.913 2163 K CB 1.049 33.478 32.500 -0.119 0.000 1.179 2163 K HN 0.476 nan 8.250 nan 0.000 0.462 2164 V N 4.855 124.715 119.914 -0.091 0.000 2.599 2164 V HA -0.048 4.071 4.120 -0.002 0.000 0.300 2164 V C 1.231 177.254 176.094 -0.119 0.000 1.034 2164 V CA 0.376 62.623 62.300 -0.088 0.000 1.115 2164 V CB 1.020 32.816 31.823 -0.046 0.000 0.934 2164 V HN 0.818 nan 8.190 nan 0.000 0.485 2165 E N 2.342 122.475 120.200 -0.110 0.000 2.216 2165 E HA 0.095 4.444 4.350 -0.002 0.000 0.192 2165 E C 0.719 177.236 176.600 -0.139 0.000 0.973 2165 E CA 0.720 57.053 56.400 -0.111 0.000 0.851 2165 E CB 0.722 30.373 29.700 -0.080 0.000 0.804 2165 E HN 0.831 nan 8.360 nan 0.000 0.477 2166 S N -1.428 114.184 115.700 -0.146 0.000 2.565 2166 S HA 0.317 4.786 4.470 -0.002 0.000 0.269 2166 S C 0.189 174.706 174.600 -0.140 0.000 1.153 2166 S CA -0.711 57.385 58.200 -0.173 0.000 0.835 2166 S CB 0.120 63.289 63.200 -0.053 0.000 1.122 2166 S HN -0.134 nan 8.310 nan 0.000 0.462 2167 F N 1.705 121.670 119.950 0.025 0.000 2.134 2167 F HA 0.018 4.545 4.527 -0.001 0.000 0.299 2167 F C 2.621 178.434 175.800 0.021 0.000 1.097 2167 F CA 1.586 59.600 58.000 0.023 0.000 1.264 2167 F CB -0.556 38.459 39.000 0.025 0.000 1.001 2167 F HN 0.647 nan 8.300 nan 0.000 0.479 2168 E N 0.488 120.809 120.200 0.202 0.000 2.130 2168 E HA -0.292 4.057 4.350 -0.002 0.000 0.196 2168 E C 2.047 178.694 176.600 0.080 0.000 0.998 2168 E CA 1.432 57.903 56.400 0.117 0.000 0.806 2168 E CB -0.803 28.947 29.700 0.082 0.000 0.738 2168 E HN 0.624 nan 8.360 nan 0.000 0.459 2169 E N 1.109 121.346 120.200 0.061 0.000 2.058 2169 E HA -0.171 4.178 4.350 -0.002 0.000 0.194 2169 E C 2.124 178.760 176.600 0.059 0.000 0.997 2169 E CA 1.575 57.998 56.400 0.037 0.000 0.801 2169 E CB 0.159 29.863 29.700 0.007 0.000 0.746 2169 E HN 0.085 nan 8.360 nan 0.000 0.450 2170 V N 1.062 121.035 119.914 0.098 0.000 2.488 2170 V HA -0.144 3.975 4.120 -0.002 0.000 0.246 2170 V C 2.482 178.627 176.094 0.085 0.000 1.046 2170 V CA 1.441 63.815 62.300 0.125 0.000 1.053 2170 V CB -0.603 31.321 31.823 0.168 0.000 0.679 2170 V HN 0.443 nan 8.190 nan 0.000 0.458 2171 A N 0.265 123.135 122.820 0.084 0.000 1.908 2171 A HA -0.262 4.057 4.320 -0.002 0.000 0.218 2171 A C 2.360 179.965 177.584 0.035 0.000 1.181 2171 A CA 2.002 54.071 52.037 0.053 0.000 0.627 2171 A CB -0.530 18.504 19.000 0.057 0.000 0.818 2171 A HN 0.480 nan 8.150 nan 0.000 0.445 2172 R N -0.259 120.263 120.500 0.036 0.000 2.117 2172 R HA -0.158 4.181 4.340 -0.002 0.000 0.243 2172 R C 1.891 178.201 176.300 0.016 0.000 1.143 2172 R CA 1.686 57.799 56.100 0.022 0.000 0.968 2172 R CB -0.298 30.013 30.300 0.019 0.000 0.863 2172 R HN 0.674 nan 8.270 nan 0.000 0.444 2173 E N -1.028 119.186 120.200 0.023 0.000 2.472 2173 E HA -0.055 4.294 4.350 -0.002 0.000 0.200 2173 E C 0.735 177.339 176.600 0.006 0.000 1.046 2173 E CA 0.596 57.005 56.400 0.015 0.000 0.871 2173 E CB 0.238 29.959 29.700 0.034 0.000 0.806 2173 E HN 0.607 nan 8.360 nan 0.000 0.533 2174 G N 0.752 109.557 108.800 0.008 0.000 2.134 2174 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.209 2174 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.209 2174 G C 0.282 175.180 174.900 -0.003 0.000 0.993 2174 G CA -0.124 44.977 45.100 0.001 0.000 0.669 2174 G HN 0.430 nan 8.290 nan 0.000 0.519 2175 A N 0.235 123.054 122.820 -0.001 0.000 2.548 2175 A HA 0.492 4.812 4.320 -0.002 0.000 0.247 2175 A C 1.240 178.822 177.584 -0.004 0.000 1.067 2175 A CA 1.112 53.144 52.037 -0.009 0.000 0.757 2175 A CB 0.282 19.278 19.000 -0.006 0.000 0.996 2175 A HN 0.251 nan 8.150 nan 0.000 0.504 2176 D N 1.253 121.651 120.400 -0.004 0.000 2.201 2176 D HA 0.102 4.741 4.640 -0.002 0.000 0.209 2176 D C 0.217 176.513 176.300 -0.006 0.000 0.961 2176 D CA 1.091 55.085 54.000 -0.010 0.000 0.861 2176 D CB -0.058 40.734 40.800 -0.014 0.000 0.997 2176 D HN 0.267 nan 8.370 nan 0.000 0.486 2177 V N 1.668 121.599 119.914 0.029 0.000 2.540 2177 V HA 0.368 4.487 4.120 -0.002 0.000 0.302 2177 V C -0.204 175.902 176.094 0.019 0.000 1.035 2177 V CA -0.751 61.577 62.300 0.047 0.000 0.873 2177 V CB 2.474 34.406 31.823 0.182 0.000 0.992 2177 V HN -0.062 nan 8.190 nan 0.000 0.428 2178 I N 4.585 125.149 120.570 -0.009 0.000 2.339 2178 I HA 0.440 4.609 4.170 -0.002 0.000 0.290 2178 I C -0.527 175.575 176.117 -0.025 0.000 0.994 2178 I CA -0.773 60.523 61.300 -0.007 0.000 1.191 2178 I CB 1.910 39.932 38.000 0.036 0.000 1.343 2178 I HN 0.287 nan 8.210 nan 0.000 0.458 2179 V N 5.303 125.212 119.914 -0.007 0.000 2.350 2179 V HA 0.217 4.336 4.120 -0.002 0.000 0.276 2179 V C 0.030 176.150 176.094 0.043 0.000 1.028 2179 V CA -0.672 61.626 62.300 -0.003 0.000 0.860 2179 V CB 1.257 33.070 31.823 -0.018 0.000 0.990 2179 V HN 0.675 nan 8.190 nan 0.000 0.453 2180 N N 3.981 122.711 118.700 0.050 0.000 2.469 2180 N HA 0.241 4.981 4.740 -0.002 0.000 0.239 2180 N C -0.381 175.259 175.510 0.216 0.000 1.053 2180 N CA -0.249 52.894 53.050 0.155 0.000 0.937 2180 N CB 0.562 39.144 38.487 0.158 0.000 1.163 2180 N HN 0.668 nan 8.380 nan 0.000 0.509 2181 C N 2.673 122.077 119.300 0.174 0.000 2.975 2181 C HA 0.238 4.697 4.460 -0.002 0.000 0.234 2181 C C 1.463 176.556 174.990 0.171 0.000 1.666 2181 C CA -0.561 58.569 59.018 0.186 0.000 1.534 2181 C CB -1.366 26.442 27.740 0.113 0.000 2.642 2181 C HN 0.813 nan 8.230 nan 0.000 0.516 2182 T N -2.120 112.539 114.554 0.175 0.000 3.144 2182 T HA 0.428 4.778 4.350 -0.002 0.000 0.249 2182 T C 1.382 176.228 174.700 0.243 0.000 1.089 2182 T CA 0.753 62.947 62.100 0.156 0.000 0.989 2182 T CB 0.260 69.179 68.868 0.086 0.000 0.992 2182 T HN 0.979 nan 8.240 nan 0.000 0.540 2183 G N 1.387 110.328 108.800 0.235 0.000 2.556 2183 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.283 2183 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.283 2183 G C 0.832 175.804 174.900 0.119 0.000 1.177 2183 G CA 0.107 45.346 45.100 0.232 0.000 0.978 2183 G HN 0.584 nan 8.290 nan 0.000 0.554 2184 V N 0.874 120.770 119.914 -0.030 0.000 3.141 2184 V HA 0.078 4.197 4.120 -0.002 0.000 0.265 2184 V C 1.844 177.840 176.094 -0.163 0.000 1.126 2184 V CA 2.143 64.300 62.300 -0.238 0.000 1.141 2184 V CB -0.415 31.068 31.823 -0.568 0.000 0.743 2184 V HN 0.563 nan 8.190 nan 0.000 0.492 2185 W N -0.934 120.435 121.300 0.115 0.000 3.290 2185 W HA 0.298 4.957 4.660 -0.001 0.000 0.287 2185 W C 2.154 178.643 176.519 -0.051 0.000 1.288 2185 W CA 0.364 57.756 57.345 0.078 0.000 1.725 2185 W CB -0.415 29.073 29.460 0.046 0.000 1.103 2185 W HN 0.396 nan 8.180 nan 0.000 0.670 2186 A N 0.992 123.809 122.820 -0.005 0.000 1.940 2186 A HA -0.120 4.199 4.320 -0.002 0.000 0.219 2186 A C 2.371 179.867 177.584 -0.146 0.000 1.176 2186 A CA 2.175 54.059 52.037 -0.255 0.000 0.631 2186 A CB -1.243 17.149 19.000 -1.013 0.000 0.814 2186 A HN 0.263 nan 8.150 nan 0.000 0.446 2187 G N -0.268 108.498 108.800 -0.057 0.000 2.505 2187 G HA2 -0.121 3.838 3.960 -0.002 0.000 0.220 2187 G HA3 -0.121 3.838 3.960 -0.002 0.000 0.220 2187 G C 1.685 176.588 174.900 0.005 0.000 1.145 2187 G CA 1.568 46.676 45.100 0.015 0.000 0.761 2187 G HN 0.949 nan 8.290 nan 0.000 0.571 2188 A N -0.111 122.707 122.820 -0.004 0.000 2.070 2188 A HA 0.190 4.509 4.320 -0.002 0.000 0.220 2188 A C 2.347 179.884 177.584 -0.077 0.000 1.159 2188 A CA 1.253 53.268 52.037 -0.036 0.000 0.656 2188 A CB -0.198 18.787 19.000 -0.025 0.000 0.800 2188 A HN 0.409 nan 8.150 nan 0.000 0.453 2189 L N -2.352 118.804 121.223 -0.111 0.000 2.316 2189 L HA 0.179 4.519 4.340 -0.002 0.000 0.207 2189 L C 1.195 178.022 176.870 -0.071 0.000 1.070 2189 L CA 0.417 55.108 54.840 -0.248 0.000 0.820 2189 L CB 0.193 41.922 42.059 -0.549 0.000 0.992 2189 L HN 0.446 nan 8.230 nan 0.000 0.466 2190 Q N 0.234 120.082 119.800 0.079 0.000 2.263 2190 Q HA 0.234 4.573 4.340 -0.002 0.000 0.262 2190 Q C -0.883 175.196 176.000 0.132 0.000 0.984 2190 Q CA -0.730 55.186 55.803 0.189 0.000 0.813 2190 Q CB 1.778 30.758 28.738 0.404 0.000 1.299 2190 Q HN -0.026 nan 8.270 nan 0.000 0.428 2191 R N 2.382 122.942 120.500 0.100 0.000 2.504 2191 R HA -0.027 4.312 4.340 -0.002 0.000 0.291 2191 R C -1.095 175.266 176.300 0.102 0.000 0.974 2191 R CA 1.050 57.198 56.100 0.080 0.000 1.077 2191 R CB 0.293 30.631 30.300 0.063 0.000 0.926 2191 R HN 0.624 nan 8.270 nan 0.000 0.407 2192 D N 5.878 126.340 120.400 0.104 0.000 2.323 2192 D HA 0.197 4.836 4.640 -0.002 0.000 0.242 2192 D C -1.768 174.599 176.300 0.113 0.000 1.347 2192 D CA -1.552 52.525 54.000 0.128 0.000 0.988 2192 D CB 1.468 42.389 40.800 0.200 0.000 1.314 2192 D HN 0.246 nan 8.370 nan 0.000 0.564 2193 P HA -0.034 nan 4.420 nan 0.000 0.223 2193 P C 1.614 178.965 177.300 0.085 0.000 1.151 2193 P CA 0.318 63.467 63.100 0.081 0.000 0.787 2193 P CB 0.691 32.429 31.700 0.064 0.000 0.788 2194 L N -1.452 119.828 121.223 0.094 0.000 2.217 2194 L HA -0.006 4.333 4.340 -0.002 0.000 0.211 2194 L C 1.391 178.326 176.870 0.109 0.000 1.107 2194 L CA 0.027 54.922 54.840 0.092 0.000 0.783 2194 L CB -0.588 41.522 42.059 0.084 0.000 0.919 2194 L HN 0.031 nan 8.230 nan 0.000 0.442 2195 L N 0.796 122.100 121.223 0.135 0.000 2.319 2195 L HA 0.222 4.561 4.340 -0.002 0.000 0.280 2195 L C -0.320 176.591 176.870 0.069 0.000 1.099 2195 L CA 0.635 55.554 54.840 0.131 0.000 0.828 2195 L CB 0.613 42.782 42.059 0.183 0.000 1.150 2195 L HN 0.093 nan 8.230 nan 0.000 0.442 2196 Q N 6.081 125.886 119.800 0.008 0.000 2.389 2196 Q HA 0.493 4.832 4.340 -0.002 0.000 0.277 2196 Q C -2.551 173.279 176.000 -0.283 0.000 1.082 2196 Q CA -2.031 53.714 55.803 -0.098 0.000 0.810 2196 Q CB 2.570 31.286 28.738 -0.035 0.000 1.374 2196 Q HN 0.447 nan 8.270 nan 0.000 0.422 2197 P HA 0.048 nan 4.420 nan 0.000 0.271 2197 P C -0.525 176.501 177.300 -0.457 0.000 1.226 2197 P CA 0.056 62.674 63.100 -0.805 0.000 0.765 2197 P CB 0.484 31.180 31.700 -1.673 0.000 0.835 2198 G N 3.933 112.493 108.800 -0.400 0.000 3.102 2198 G HA2 0.224 4.183 3.960 -0.002 0.000 0.345 2198 G HA3 0.224 4.183 3.960 -0.002 0.000 0.345 2198 G C 0.090 174.657 174.900 -0.555 0.000 1.200 2198 G CA -0.559 44.140 45.100 -0.668 0.000 1.163 2198 G HN 0.434 nan 8.290 nan 0.000 0.465 2199 R N 1.479 121.820 120.500 -0.266 0.000 2.679 2199 R HA 0.458 4.798 4.340 -0.002 0.000 0.268 2199 R C 0.147 176.339 176.300 -0.180 0.000 1.044 2199 R CA 0.379 56.438 56.100 -0.069 0.000 1.105 2199 R CB 0.626 30.992 30.300 0.111 0.000 0.989 2199 R HN 0.464 nan 8.270 nan 0.000 0.447 2200 G N 1.964 110.654 108.800 -0.184 0.000 2.706 2200 G HA2 0.288 4.247 3.960 -0.002 0.000 0.297 2200 G HA3 0.288 4.247 3.960 -0.002 0.000 0.297 2200 G C -1.901 172.936 174.900 -0.105 0.000 1.403 2200 G CA -0.509 44.529 45.100 -0.102 0.000 0.954 2200 G HN 0.548 nan 8.290 nan 0.000 0.500 2201 Q N 0.298 120.072 119.800 -0.044 0.000 2.274 2201 Q HA 0.596 4.935 4.340 -0.002 0.000 0.268 2201 Q C -1.042 174.936 176.000 -0.037 0.000 1.015 2201 Q CA -0.788 54.989 55.803 -0.042 0.000 0.775 2201 Q CB 1.923 30.651 28.738 -0.015 0.000 1.256 2201 Q HN 0.721 nan 8.270 nan 0.000 0.442 2202 I N -0.040 120.511 120.570 -0.032 0.000 2.846 2202 I HA 0.666 4.835 4.170 -0.002 0.000 0.307 2202 I C -0.993 175.113 176.117 -0.019 0.000 1.053 2202 I CA -1.036 60.242 61.300 -0.037 0.000 1.050 2202 I CB 2.041 40.041 38.000 0.001 0.000 1.239 2202 I HN 0.660 nan 8.210 nan 0.000 0.439 2203 M N 3.360 122.946 119.600 -0.024 0.000 2.253 2203 M HA 0.498 4.977 4.480 -0.002 0.000 0.314 2203 M C -1.257 175.055 176.300 0.020 0.000 1.019 2203 M CA -0.641 54.664 55.300 0.009 0.000 0.932 2203 M CB 1.313 33.919 32.600 0.011 0.000 1.606 2203 M HN 0.502 nan 8.290 nan 0.000 0.430 2204 K N 3.605 124.022 120.400 0.029 0.000 2.248 2204 K HA 0.507 4.826 4.320 -0.002 0.000 0.281 2204 K C -1.175 175.448 176.600 0.040 0.000 1.054 2204 K CA -0.300 56.004 56.287 0.028 0.000 0.903 2204 K CB 1.831 34.345 32.500 0.022 0.000 1.077 2204 K HN 0.558 nan 8.250 nan 0.000 0.474 2205 V N 1.512 121.447 119.914 0.034 0.000 3.046 2205 V HA 0.241 4.361 4.120 -0.002 0.000 0.316 2205 V C -1.245 174.846 176.094 -0.005 0.000 1.104 2205 V CA -0.828 61.501 62.300 0.049 0.000 1.006 2205 V CB 2.476 34.359 31.823 0.100 0.000 1.058 2205 V HN 0.720 nan 8.190 nan 0.000 0.440 2206 D N 2.999 123.399 120.400 0.000 0.000 2.454 2206 D HA 0.682 5.321 4.640 -0.002 0.000 0.225 2206 D C -0.309 175.898 176.300 -0.155 0.000 1.081 2206 D CA 0.125 54.096 54.000 -0.049 0.000 0.864 2206 D CB 1.199 42.005 40.800 0.010 0.000 1.040 2206 D HN 0.772 nan 8.370 nan 0.000 0.517 2207 A N 4.682 127.260 122.820 -0.404 0.000 3.370 2207 A HA 0.403 4.722 4.320 -0.002 0.000 0.295 2207 A C -2.090 174.851 177.584 -1.071 0.000 1.030 2207 A CA -0.933 50.415 52.037 -1.148 0.000 0.883 2207 A CB 0.861 19.216 19.000 -1.075 0.000 1.191 2207 A HN 0.389 nan 8.150 nan 0.000 0.507 2208 P HA -0.119 nan 4.420 nan 0.000 0.228 2208 P C 1.062 178.296 177.300 -0.110 0.000 1.151 2208 P CA 0.905 63.880 63.100 -0.207 0.000 0.770 2208 P CB -0.181 31.510 31.700 -0.015 0.000 0.786 2209 W N -2.657 118.659 121.300 0.027 0.000 2.800 2209 W HA 0.198 4.857 4.660 -0.002 0.000 0.249 2209 W C 0.282 176.830 176.519 0.047 0.000 1.294 2209 W CA -0.057 57.307 57.345 0.031 0.000 1.402 2209 W CB -1.188 28.291 29.460 0.032 0.000 1.126 2209 W HN -0.260 nan 8.180 nan 0.000 0.652 2210 M N 2.986 122.368 119.600 -0.364 0.000 2.266 2210 M HA 0.091 4.570 4.480 -0.002 0.000 0.340 2210 M C 0.492 176.766 176.300 -0.044 0.000 1.486 2210 M CA 0.371 55.582 55.300 -0.147 0.000 1.209 2210 M CB 0.749 33.199 32.600 -0.250 0.000 1.714 2210 M HN 0.029 nan 8.290 nan 0.000 0.459 2211 K N 2.098 122.508 120.400 0.017 0.000 2.358 2211 K HA 0.214 4.533 4.320 -0.002 0.000 0.200 2211 K C -0.320 176.111 176.600 -0.282 0.000 1.030 2211 K CA 0.163 56.379 56.287 -0.119 0.000 1.097 2211 K CB 0.356 32.755 32.500 -0.170 0.000 0.862 2211 K HN 0.623 nan 8.250 nan 0.000 0.534 2212 H N -0.196 118.916 119.070 0.070 0.000 2.717 2212 H HA 0.281 4.836 4.556 -0.002 0.000 0.366 2212 H C -0.605 174.735 175.328 0.020 0.000 1.132 2212 H CA -1.076 54.962 56.048 -0.016 0.000 1.180 2212 H CB 1.168 30.976 29.762 0.076 0.000 1.678 2212 H HN -0.051 nan 8.280 nan 0.000 0.537 2213 F N 1.520 121.533 119.950 0.106 0.000 2.429 2213 F HA 0.490 5.016 4.527 -0.001 0.000 0.348 2213 F C -0.720 175.127 175.800 0.079 0.000 1.109 2213 F CA -0.764 57.268 58.000 0.055 0.000 1.232 2213 F CB 0.184 39.175 39.000 -0.016 0.000 1.157 2213 F HN 0.267 nan 8.300 nan 0.000 0.564 2214 I N 5.322 126.061 120.570 0.281 0.000 2.410 2214 I HA 0.273 4.442 4.170 -0.002 0.000 0.286 2214 I C -1.013 175.165 176.117 0.103 0.000 1.009 2214 I CA -0.645 60.731 61.300 0.126 0.000 1.111 2214 I CB 1.646 39.604 38.000 -0.071 0.000 1.262 2214 I HN 0.504 nan 8.210 nan 0.000 0.443 2215 L N 5.886 127.150 121.223 0.068 0.000 2.305 2215 L HA 0.474 4.814 4.340 -0.002 0.000 0.284 2215 L C 0.342 176.949 176.870 -0.437 0.000 1.013 2215 L CA -0.237 54.542 54.840 -0.102 0.000 0.819 2215 L CB 1.942 44.003 42.059 0.004 0.000 1.227 2215 L HN 0.660 nan 8.230 nan 0.000 0.417 2216 T N -0.488 113.746 114.554 -0.533 0.000 2.929 2216 T HA 0.587 4.936 4.350 -0.002 0.000 0.284 2216 T C -0.282 173.952 174.700 -0.775 0.000 1.014 2216 T CA -0.649 61.038 62.100 -0.687 0.000 1.051 2216 T CB 1.736 70.286 68.868 -0.531 0.000 1.028 2216 T HN 0.474 nan 8.240 nan 0.000 0.485 2217 H N 1.295 120.179 119.070 -0.309 0.000 2.679 2217 H HA 0.550 5.105 4.556 -0.002 0.000 0.360 2217 H C -1.434 173.956 175.328 0.103 0.000 1.105 2217 H CA -0.662 55.308 56.048 -0.131 0.000 1.196 2217 H CB 2.238 31.852 29.762 -0.246 0.000 1.636 2217 H HN 0.768 nan 8.280 nan 0.000 0.531 2218 D N 3.482 124.028 120.400 0.242 0.000 2.386 2218 D HA 0.167 4.806 4.640 -0.002 0.000 0.247 2218 D C -1.927 174.459 176.300 0.144 0.000 1.336 2218 D CA -1.869 52.288 54.000 0.261 0.000 0.976 2218 D CB 1.898 42.847 40.800 0.248 0.000 1.257 2218 D HN 0.134 nan 8.370 nan 0.000 0.570 2219 P HA -0.092 nan 4.420 nan 0.000 0.228 2219 P C 0.947 178.259 177.300 0.019 0.000 1.151 2219 P CA 0.530 63.661 63.100 0.050 0.000 0.770 2219 P CB 0.641 32.370 31.700 0.049 0.000 0.786 2220 E N 0.202 120.419 120.200 0.029 0.000 2.150 2220 E HA -0.105 4.244 4.350 -0.002 0.000 0.193 2220 E C 2.082 178.686 176.600 0.007 0.000 0.985 2220 E CA 1.085 57.488 56.400 0.005 0.000 0.814 2220 E CB -0.179 29.514 29.700 -0.012 0.000 0.752 2220 E HN 0.184 nan 8.360 nan 0.000 0.466 2221 R N -1.517 118.996 120.500 0.021 0.000 2.279 2221 R HA 0.316 4.655 4.340 -0.002 0.000 0.195 2221 R C 0.600 176.897 176.300 -0.006 0.000 0.905 2221 R CA 0.594 56.707 56.100 0.022 0.000 1.044 2221 R CB 1.037 31.366 30.300 0.048 0.000 1.056 2221 R HN 0.159 nan 8.270 nan 0.000 0.535 2222 G N 1.648 110.428 108.800 -0.032 0.000 2.525 2222 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.685 2222 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.685 2222 G C -0.932 173.865 174.900 -0.171 0.000 1.290 2222 G CA -0.710 44.316 45.100 -0.125 0.000 0.915 2222 G HN 0.094 nan 8.290 nan 0.000 0.548 2223 I N 0.450 120.798 120.570 -0.371 0.000 2.683 2223 I HA 0.447 4.616 4.170 -0.002 0.000 0.286 2223 I C 1.073 176.988 176.117 -0.337 0.000 1.175 2223 I CA 0.165 61.158 61.300 -0.511 0.000 1.429 2223 I CB -0.600 36.891 38.000 -0.848 0.000 1.371 2223 I HN 1.088 nan 8.210 nan 0.000 0.569 2224 Y N 4.427 124.749 120.300 0.038 0.000 3.721 2224 Y HA -0.276 4.273 4.550 -0.001 0.000 0.218 2224 Y C 0.989 177.026 175.900 0.229 0.000 1.188 2224 Y CA 0.710 58.920 58.100 0.183 0.000 1.607 2224 Y CB -2.417 36.224 38.460 0.301 0.000 1.496 2224 Y HN 0.685 nan 8.280 nan 0.000 0.626 2225 N N -0.535 118.298 118.700 0.222 0.000 2.282 2225 N HA 0.183 4.922 4.740 -0.002 0.000 0.240 2225 N C -0.163 175.423 175.510 0.126 0.000 1.182 2225 N CA 0.545 53.701 53.050 0.175 0.000 0.874 2225 N CB 0.836 39.391 38.487 0.114 0.000 1.126 2225 N HN 0.259 nan 8.380 nan 0.000 0.516 2226 S N 0.729 116.508 115.700 0.131 0.000 2.570 2226 S HA 0.574 5.043 4.470 -0.002 0.000 0.286 2226 S C -2.732 171.912 174.600 0.073 0.000 1.099 2226 S CA -1.455 56.798 58.200 0.089 0.000 0.913 2226 S CB 1.608 64.848 63.200 0.067 0.000 1.085 2226 S HN -0.049 nan 8.310 nan 0.000 0.480 2227 P HA 0.187 nan 4.420 nan 0.000 0.265 2227 P C -1.428 175.866 177.300 -0.010 0.000 1.193 2227 P CA 0.230 63.298 63.100 -0.054 0.000 0.765 2227 P CB -0.168 31.501 31.700 -0.052 0.000 0.823 2228 Y N 0.697 120.960 120.300 -0.060 0.000 2.581 2228 Y HA 0.802 5.351 4.550 -0.002 0.000 0.345 2228 Y C -0.976 174.899 175.900 -0.042 0.000 1.036 2228 Y CA -1.729 56.329 58.100 -0.069 0.000 1.042 2228 Y CB 1.279 39.701 38.460 -0.062 0.000 1.289 2228 Y HN 0.131 nan 8.280 nan 0.000 0.471 2229 I N 3.839 124.535 120.570 0.209 0.000 2.500 2229 I HA 0.432 4.601 4.170 -0.002 0.000 0.286 2229 I C -1.263 174.974 176.117 0.200 0.000 1.063 2229 I CA -0.549 60.831 61.300 0.133 0.000 1.062 2229 I CB 1.855 39.890 38.000 0.059 0.000 1.223 2229 I HN 0.578 nan 8.210 nan 0.000 0.435 2230 I N 7.723 128.400 120.570 0.179 0.000 2.476 2230 I HA 0.343 4.512 4.170 -0.002 0.000 0.281 2230 I C -2.533 173.656 176.117 0.119 0.000 1.040 2230 I CA -1.907 59.489 61.300 0.159 0.000 1.094 2230 I CB 1.767 39.826 38.000 0.098 0.000 1.219 2230 I HN 0.192 nan 8.210 nan 0.000 0.450 2231 P HA 0.116 nan 4.420 nan 0.000 0.267 2231 P C 0.303 177.721 177.300 0.197 0.000 1.205 2231 P CA 0.117 63.284 63.100 0.111 0.000 0.765 2231 P CB 0.887 32.651 31.700 0.107 0.000 0.828 2232 G N 1.060 109.954 108.800 0.157 0.000 2.583 2232 G HA2 0.257 4.216 3.960 -0.002 0.000 0.280 2232 G HA3 0.257 4.216 3.960 -0.002 0.000 0.280 2232 G C 1.095 176.100 174.900 0.174 0.000 1.376 2232 G CA 0.000 45.246 45.100 0.243 0.000 1.043 2232 G HN 0.408 nan 8.290 nan 0.000 0.538 2233 T N -1.435 113.191 114.554 0.121 0.000 2.701 2233 T HA -0.111 4.238 4.350 -0.002 0.000 0.263 2233 T C 2.023 176.659 174.700 -0.105 0.000 1.040 2233 T CA 1.991 64.010 62.100 -0.135 0.000 1.147 2233 T CB -0.200 68.612 68.868 -0.092 0.000 0.865 2233 T HN 0.299 nan 8.240 nan 0.000 0.426 2234 Q N 0.046 119.822 119.800 -0.039 0.000 2.349 2234 Q HA 0.273 4.612 4.340 -0.002 0.000 0.209 2234 Q C 1.140 177.118 176.000 -0.037 0.000 0.920 2234 Q CA 0.591 56.370 55.803 -0.040 0.000 0.901 2234 Q CB 0.355 29.081 28.738 -0.019 0.000 1.021 2234 Q HN 0.503 nan 8.270 nan 0.000 0.519 2235 T N -0.612 113.930 114.554 -0.020 0.000 2.887 2235 T HA 0.573 4.922 4.350 -0.002 0.000 0.292 2235 T C -1.409 173.279 174.700 -0.019 0.000 1.087 2235 T CA -0.633 61.453 62.100 -0.024 0.000 1.009 2235 T CB 1.759 70.625 68.868 -0.004 0.000 1.203 2235 T HN -0.207 nan 8.240 nan 0.000 0.518 2236 V N 2.674 122.568 119.914 -0.035 0.000 2.448 2236 V HA 0.454 4.573 4.120 -0.002 0.000 0.295 2236 V C 0.244 176.340 176.094 0.003 0.000 1.025 2236 V CA -0.739 61.545 62.300 -0.028 0.000 0.859 2236 V CB 1.683 33.446 31.823 -0.099 0.000 0.988 2236 V HN 1.037 nan 8.190 nan 0.000 0.431 2237 T N 6.580 121.155 114.554 0.035 0.000 2.780 2237 T HA 0.553 4.902 4.350 -0.002 0.000 0.294 2237 T C -0.423 174.294 174.700 0.027 0.000 0.949 2237 T CA -0.116 62.012 62.100 0.046 0.000 1.074 2237 T CB 0.611 69.531 68.868 0.086 0.000 0.910 2237 T HN 0.208 nan 8.240 nan 0.000 0.501 2238 L N 3.245 124.446 121.223 -0.037 0.000 2.329 2238 L HA 0.816 5.155 4.340 -0.002 0.000 0.279 2238 L C 0.622 177.301 176.870 -0.320 0.000 1.014 2238 L CA 0.147 54.902 54.840 -0.142 0.000 0.814 2238 L CB 1.596 43.612 42.059 -0.072 0.000 1.257 2238 L HN 0.868 nan 8.230 nan 0.000 0.424 2239 G N 0.296 108.655 108.800 -0.735 0.000 2.749 2239 G HA2 0.596 4.555 3.960 -0.002 0.000 0.300 2239 G HA3 0.596 4.555 3.960 -0.002 0.000 0.300 2239 G C -0.324 174.022 174.900 -0.923 0.000 1.352 2239 G CA -0.101 44.381 45.100 -1.030 0.000 0.789 2239 G HN 0.883 nan 8.290 nan 0.000 0.509 2240 G N -1.139 107.346 108.800 -0.525 0.000 3.034 2240 G HA2 0.146 4.105 3.960 -0.002 0.000 0.222 2240 G HA3 0.146 4.105 3.960 -0.002 0.000 0.222 2240 G C -0.465 174.492 174.900 0.095 0.000 0.980 2240 G CA -0.207 44.848 45.100 -0.075 0.000 1.008 2240 G HN 0.682 nan 8.290 nan 0.000 0.632 2241 I N 0.639 121.293 120.570 0.140 0.000 2.466 2241 I HA 0.690 4.859 4.170 -0.002 0.000 0.289 2241 I C -1.194 175.080 176.117 0.262 0.000 1.026 2241 I CA -1.196 60.203 61.300 0.165 0.000 1.078 2241 I CB 1.979 40.026 38.000 0.078 0.000 1.249 2241 I HN 0.042 nan 8.210 nan 0.000 0.429 2242 F N 5.753 125.774 119.950 0.118 0.000 2.671 2242 F HA 0.466 4.993 4.527 -0.001 0.000 0.332 2242 F C -1.169 174.676 175.800 0.075 0.000 1.189 2242 F CA -0.307 57.765 58.000 0.119 0.000 0.988 2242 F CB 1.499 40.595 39.000 0.161 0.000 1.258 2242 F HN 0.386 nan 8.300 nan 0.000 0.471 2243 Q N 6.729 126.631 119.800 0.169 0.000 2.347 2243 Q HA 0.428 4.767 4.340 -0.002 0.000 0.265 2243 Q C -0.904 175.135 176.000 0.065 0.000 1.024 2243 Q CA -0.723 55.182 55.803 0.169 0.000 0.731 2243 Q CB 2.711 31.507 28.738 0.096 0.000 1.245 2243 Q HN 0.639 nan 8.270 nan 0.000 0.472 2244 L N 1.697 123.029 121.223 0.182 0.000 2.525 2244 L HA 0.055 4.394 4.340 -0.002 0.000 0.278 2244 L C 1.243 178.101 176.870 -0.020 0.000 1.218 2244 L CA 1.268 56.163 54.840 0.091 0.000 0.878 2244 L CB 0.242 42.394 42.059 0.154 0.000 1.127 2244 L HN 1.106 nan 8.230 nan 0.000 0.492 2245 G N 2.415 111.128 108.800 -0.145 0.000 2.189 2245 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.267 2245 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.267 2245 G C 0.352 175.155 174.900 -0.161 0.000 0.975 2245 G CA 0.341 45.342 45.100 -0.165 0.000 0.644 2245 G HN 0.683 nan 8.290 nan 0.000 0.537 2246 N N -0.107 118.501 118.700 -0.153 0.000 2.408 2246 N HA 0.331 5.070 4.740 -0.002 0.000 0.257 2246 N C 0.428 175.849 175.510 -0.148 0.000 1.064 2246 N CA -0.734 52.288 53.050 -0.047 0.000 0.952 2246 N CB 0.263 38.777 38.487 0.045 0.000 1.093 2246 N HN 0.324 nan 8.380 nan 0.000 0.490 2247 W N 1.759 122.994 121.300 -0.108 0.000 3.239 2247 W HA 0.240 4.899 4.660 -0.001 0.000 0.348 2247 W C 0.980 177.494 176.519 -0.010 0.000 1.183 2247 W CA -0.453 56.682 57.345 -0.350 0.000 1.819 2247 W CB 0.414 29.695 29.460 -0.299 0.000 1.091 2247 W HN 0.413 nan 8.180 nan 0.000 0.629 2248 S N 1.789 117.722 115.700 0.387 0.000 2.701 2248 S HA 0.010 4.479 4.470 -0.002 0.000 0.317 2248 S C 0.354 175.228 174.600 0.457 0.000 1.149 2248 S CA -0.302 58.117 58.200 0.364 0.000 1.052 2248 S CB -0.136 63.196 63.200 0.220 0.000 1.257 2248 S HN 0.238 nan 8.310 nan 0.000 0.532 2249 E N 4.561 125.104 120.200 0.572 0.000 2.222 2249 E HA 0.221 4.570 4.350 -0.002 0.000 0.312 2249 E C -0.774 175.920 176.600 0.158 0.000 1.263 2249 E CA -0.148 56.450 56.400 0.330 0.000 1.356 2249 E CB -0.098 29.871 29.700 0.448 0.000 1.180 2249 E HN 0.520 nan 8.360 nan 0.000 0.494 2250 L N 2.530 123.817 121.223 0.107 0.000 2.526 2250 L HA 0.364 4.704 4.340 -0.002 0.000 0.263 2250 L C -1.487 175.410 176.870 0.046 0.000 0.943 2250 L CA -0.771 54.113 54.840 0.073 0.000 0.859 2250 L CB 1.802 43.914 42.059 0.088 0.000 1.313 2250 L HN 0.028 nan 8.230 nan 0.000 0.406 2251 N N 2.996 121.713 118.700 0.030 0.000 2.452 2251 N HA 0.095 4.834 4.740 -0.002 0.000 0.266 2251 N C -0.672 174.858 175.510 0.034 0.000 1.209 2251 N CA 0.234 53.300 53.050 0.028 0.000 0.929 2251 N CB 0.364 38.865 38.487 0.023 0.000 1.063 2251 N HN 0.642 nan 8.380 nan 0.000 0.472 2252 N N 2.792 121.520 118.700 0.047 0.000 2.425 2252 N HA 0.145 4.884 4.740 -0.002 0.000 0.268 2252 N C 1.227 176.774 175.510 0.062 0.000 0.991 2252 N CA -0.506 52.574 53.050 0.050 0.000 0.931 2252 N CB 0.580 39.102 38.487 0.059 0.000 1.130 2252 N HN 0.362 nan 8.380 nan 0.000 0.493 2253 I N 2.373 122.962 120.570 0.032 0.000 2.248 2253 I HA -0.249 3.920 4.170 -0.002 0.000 0.248 2253 I C 1.806 177.975 176.117 0.088 0.000 1.107 2253 I CA 1.533 62.844 61.300 0.018 0.000 1.373 2253 I CB -0.465 37.516 38.000 -0.033 0.000 1.055 2253 I HN 0.771 nan 8.210 nan 0.000 0.418 2254 Q N 0.947 120.791 119.800 0.074 0.000 2.020 2254 Q HA -0.214 4.125 4.340 -0.002 0.000 0.202 2254 Q C 1.848 177.908 176.000 0.100 0.000 0.982 2254 Q CA 2.046 57.899 55.803 0.082 0.000 0.838 2254 Q CB -0.224 28.552 28.738 0.063 0.000 0.899 2254 Q HN 0.425 nan 8.270 nan 0.000 0.423 2255 D N -1.022 119.434 120.400 0.093 0.000 2.116 2255 D HA -0.222 4.417 4.640 -0.002 0.000 0.193 2255 D C 1.774 178.137 176.300 0.105 0.000 0.998 2255 D CA 1.719 55.771 54.000 0.086 0.000 0.836 2255 D CB -0.544 40.297 40.800 0.069 0.000 0.951 2255 D HN 0.533 nan 8.370 nan 0.000 0.449 2256 H N 1.190 120.279 119.070 0.033 0.000 2.265 2256 H HA -0.166 4.389 4.556 -0.001 0.000 0.293 2256 H C 1.779 177.161 175.328 0.089 0.000 1.089 2256 H CA 2.406 58.479 56.048 0.041 0.000 1.244 2256 H CB 0.023 29.788 29.762 0.005 0.000 1.355 2256 H HN -0.002 nan 8.280 nan 0.000 0.485 2257 N N -0.273 118.577 118.700 0.250 0.000 2.061 2257 N HA -0.153 4.586 4.740 -0.002 0.000 0.193 2257 N C 1.970 177.562 175.510 0.137 0.000 1.030 2257 N CA 1.973 55.147 53.050 0.208 0.000 0.856 2257 N CB -0.973 37.621 38.487 0.179 0.000 1.023 2257 N HN 0.474 nan 8.380 nan 0.000 0.424 2258 T N 2.583 117.193 114.554 0.093 0.000 2.665 2258 T HA -0.087 4.262 4.350 -0.002 0.000 0.268 2258 T C 1.952 176.667 174.700 0.025 0.000 1.035 2258 T CA 0.924 63.059 62.100 0.059 0.000 1.151 2258 T CB -0.181 68.718 68.868 0.051 0.000 0.862 2258 T HN 0.111 nan 8.240 nan 0.000 0.438 2259 I N 0.166 120.734 120.570 -0.003 0.000 2.076 2259 I HA -0.199 3.970 4.170 -0.002 0.000 0.237 2259 I C 2.347 178.450 176.117 -0.024 0.000 1.059 2259 I CA 1.441 62.708 61.300 -0.055 0.000 1.317 2259 I CB -1.430 36.517 38.000 -0.088 0.000 1.037 2259 I HN 0.516 nan 8.210 nan 0.000 0.398 2260 W N 1.989 123.170 121.300 -0.198 0.000 2.317 2260 W HA -0.290 4.369 4.660 -0.001 0.000 0.318 2260 W C 2.455 178.933 176.519 -0.068 0.000 1.227 2260 W CA 2.049 59.299 57.345 -0.159 0.000 1.269 2260 W CB -0.140 29.192 29.460 -0.215 0.000 1.155 2260 W HN 0.197 nan 8.180 nan 0.000 0.484 2261 E N -0.348 119.881 120.200 0.048 0.000 2.106 2261 E HA -0.064 4.285 4.350 -0.002 0.000 0.192 2261 E C 2.407 178.962 176.600 -0.076 0.000 0.984 2261 E CA 1.879 58.271 56.400 -0.014 0.000 0.806 2261 E CB -0.927 28.823 29.700 0.083 0.000 0.750 2261 E HN 0.278 nan 8.360 nan 0.000 0.458 2262 G N -0.722 108.045 108.800 -0.055 0.000 2.403 2262 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.216 2262 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.216 2262 G C 1.725 176.570 174.900 -0.091 0.000 1.154 2262 G CA 0.853 45.925 45.100 -0.046 0.000 0.784 2262 G HN 0.361 nan 8.290 nan 0.000 0.538 2263 C N -0.199 119.003 119.300 -0.163 0.000 2.467 2263 C HA 0.050 4.509 4.460 -0.002 0.000 0.279 2263 C C 3.014 177.858 174.990 -0.243 0.000 1.347 2263 C CA 0.346 59.250 59.018 -0.191 0.000 1.748 2263 C CB -0.982 26.630 27.740 -0.213 0.000 1.977 2263 C HN 0.569 nan 8.230 nan 0.000 0.501 2264 C N -0.050 119.018 119.300 -0.386 0.000 2.448 2264 C HA -0.038 4.421 4.460 -0.002 0.000 0.280 2264 C C 2.785 177.672 174.990 -0.171 0.000 1.398 2264 C CA 0.775 59.569 59.018 -0.374 0.000 1.774 2264 C CB -1.399 25.988 27.740 -0.589 0.000 1.888 2264 C HN 0.610 nan 8.230 nan 0.000 0.519 2265 R N 0.428 120.860 120.500 -0.114 0.000 2.090 2265 R HA 0.039 4.378 4.340 -0.002 0.000 0.228 2265 R C 2.121 178.429 176.300 0.013 0.000 1.110 2265 R CA 1.067 57.148 56.100 -0.033 0.000 0.973 2265 R CB -0.292 30.005 30.300 -0.005 0.000 0.869 2265 R HN 0.457 nan 8.270 nan 0.000 0.440 2266 L N -0.364 120.865 121.223 0.010 0.000 2.027 2266 L HA -0.082 4.257 4.340 -0.002 0.000 0.206 2266 L C 0.335 177.246 176.870 0.068 0.000 1.074 2266 L CA 1.190 56.063 54.840 0.056 0.000 0.745 2266 L CB 0.079 42.135 42.059 -0.005 0.000 0.898 2266 L HN 0.155 nan 8.230 nan 0.000 0.433 2267 E N -1.211 118.996 120.200 0.012 0.000 3.108 2267 E HA 0.188 4.537 4.350 -0.002 0.000 0.228 2267 E C -1.953 174.653 176.600 0.010 0.000 1.176 2267 E CA -2.108 54.317 56.400 0.041 0.000 0.881 2267 E CB 0.942 30.679 29.700 0.061 0.000 1.354 2267 E HN -0.071 nan 8.360 nan 0.000 0.400 2268 P HA -0.200 nan 4.420 nan 0.000 0.219 2268 P C 1.027 178.332 177.300 0.009 0.000 1.144 2268 P CA 1.612 64.702 63.100 -0.016 0.000 0.806 2268 P CB 0.090 31.782 31.700 -0.013 0.000 0.771 2269 T N -4.151 110.445 114.554 0.069 0.000 3.007 2269 T HA -0.068 4.281 4.350 -0.002 0.000 0.270 2269 T C 1.537 176.405 174.700 0.280 0.000 1.107 2269 T CA 0.599 62.772 62.100 0.121 0.000 1.118 2269 T CB -0.858 68.111 68.868 0.167 0.000 0.889 2269 T HN -0.078 nan 8.240 nan 0.000 0.506 2270 L N 0.648 121.980 121.223 0.183 0.000 2.376 2270 L HA 0.287 4.626 4.340 -0.002 0.000 0.219 2270 L C 2.486 179.382 176.870 0.043 0.000 1.133 2270 L CA 1.087 55.993 54.840 0.109 0.000 0.816 2270 L CB -0.891 41.079 42.059 -0.149 0.000 0.933 2270 L HN 0.191 nan 8.230 nan 0.000 0.449 2271 K N -0.013 120.397 120.400 0.016 0.000 2.160 2271 K HA -0.134 4.186 4.320 -0.002 0.000 0.206 2271 K C 1.458 178.232 176.600 0.290 0.000 1.047 2271 K CA 1.204 57.576 56.287 0.141 0.000 0.930 2271 K CB -0.008 32.543 32.500 0.085 0.000 0.720 2271 K HN 0.322 nan 8.250 nan 0.000 0.450 2272 N N -0.128 118.717 118.700 0.242 0.000 2.280 2272 N HA 0.082 4.821 4.740 -0.002 0.000 0.192 2272 N C -0.453 175.267 175.510 0.349 0.000 1.109 2272 N CA 0.369 53.561 53.050 0.236 0.000 0.855 2272 N CB 0.536 39.086 38.487 0.105 0.000 0.974 2272 N HN 0.133 nan 8.380 nan 0.000 0.482 2273 A N 0.951 124.033 122.820 0.438 0.000 2.371 2273 A HA 0.420 4.739 4.320 -0.002 0.000 0.257 2273 A C 0.399 178.168 177.584 0.309 0.000 1.089 2273 A CA -0.255 52.020 52.037 0.398 0.000 0.794 2273 A CB 0.615 19.791 19.000 0.294 0.000 1.029 2273 A HN 0.037 nan 8.150 nan 0.000 0.488 2274 R N 1.347 121.969 120.500 0.204 0.000 2.254 2274 R HA 0.442 4.781 4.340 -0.002 0.000 0.318 2274 R C -0.692 175.667 176.300 0.098 0.000 1.031 2274 R CA -0.540 55.637 56.100 0.128 0.000 0.905 2274 R CB -0.026 30.332 30.300 0.097 0.000 1.050 2274 R HN 0.622 nan 8.270 nan 0.000 0.456 2275 I N 6.545 127.148 120.570 0.055 0.000 2.421 2275 I HA -0.008 4.161 4.170 -0.002 0.000 0.291 2275 I C 0.921 177.054 176.117 0.026 0.000 1.089 2275 I CA -0.136 61.185 61.300 0.035 0.000 1.354 2275 I CB 0.649 38.627 38.000 -0.036 0.000 1.413 2275 I HN 0.554 nan 8.210 nan 0.000 0.513 2276 I N 4.686 125.276 120.570 0.033 0.000 2.852 2276 I HA 0.227 4.396 4.170 -0.002 0.000 0.264 2276 I C 1.161 177.289 176.117 0.018 0.000 1.179 2276 I CA 0.634 61.947 61.300 0.022 0.000 1.480 2276 I CB -0.864 37.148 38.000 0.021 0.000 1.111 2276 I HN 0.760 nan 8.210 nan 0.000 0.441 2277 G N 0.379 109.194 108.800 0.025 0.000 2.315 2277 G HA2 0.337 4.296 3.960 -0.002 0.000 0.294 2277 G HA3 0.337 4.296 3.960 -0.002 0.000 0.294 2277 G C -1.523 173.398 174.900 0.034 0.000 1.300 2277 G CA -0.574 44.540 45.100 0.024 0.000 0.843 2277 G HN 0.054 nan 8.290 nan 0.000 0.527 2278 E N -0.722 119.496 120.200 0.030 0.000 2.363 2278 E HA 0.680 5.029 4.350 -0.002 0.000 0.281 2278 E C -0.951 175.658 176.600 0.016 0.000 0.953 2278 E CA -0.748 55.673 56.400 0.035 0.000 0.778 2278 E CB 1.946 31.689 29.700 0.072 0.000 1.220 2278 E HN 0.564 nan 8.360 nan 0.000 0.431 2279 R N 1.364 121.866 120.500 0.002 0.000 2.707 2279 R HA 0.497 4.836 4.340 -0.002 0.000 0.272 2279 R C -1.353 174.916 176.300 -0.051 0.000 1.011 2279 R CA -0.788 55.301 56.100 -0.018 0.000 0.893 2279 R CB 2.531 32.822 30.300 -0.015 0.000 1.233 2279 R HN 0.484 nan 8.270 nan 0.000 0.464 2280 T N 0.207 114.706 114.554 -0.092 0.000 2.885 2280 T HA 0.743 5.092 4.350 -0.002 0.000 0.285 2280 T C -0.313 174.200 174.700 -0.312 0.000 1.019 2280 T CA -0.657 61.329 62.100 -0.190 0.000 1.010 2280 T CB 1.973 70.725 68.868 -0.193 0.000 1.022 2280 T HN 0.733 nan 8.240 nan 0.000 0.466 2281 G N 0.620 109.138 108.800 -0.470 0.000 2.687 2281 G HA2 0.674 4.633 3.960 -0.002 0.000 0.291 2281 G HA3 0.674 4.633 3.960 -0.002 0.000 0.291 2281 G C -2.091 172.314 174.900 -0.825 0.000 1.420 2281 G CA -0.712 44.038 45.100 -0.584 0.000 0.796 2281 G HN 0.490 nan 8.290 nan 0.000 0.485 2282 F N 0.695 120.550 119.950 -0.159 0.000 2.496 2282 F HA 0.504 5.030 4.527 -0.002 0.000 0.341 2282 F C 0.750 176.373 175.800 -0.294 0.000 1.134 2282 F CA -0.927 56.884 58.000 -0.315 0.000 0.968 2282 F CB 1.848 40.549 39.000 -0.499 0.000 1.205 2282 F HN 0.117 nan 8.300 nan 0.000 0.436 2283 R N 3.977 124.398 120.500 -0.132 0.000 2.458 2283 R HA 0.129 4.468 4.340 -0.002 0.000 0.303 2283 R C -2.293 173.955 176.300 -0.087 0.000 1.013 2283 R CA -1.350 54.695 56.100 -0.091 0.000 1.026 2283 R CB 0.037 30.284 30.300 -0.088 0.000 0.948 2283 R HN 0.234 nan 8.270 nan 0.000 0.417 2284 P HA 0.012 nan 4.420 nan 0.000 0.249 2284 P C -0.355 176.984 177.300 0.065 0.000 1.737 2284 P CA 0.007 63.104 63.100 -0.005 0.000 1.128 2284 P CB 0.220 31.967 31.700 0.078 0.000 1.942 2285 V N 4.710 124.659 119.914 0.059 0.000 2.572 2285 V HA 0.204 4.323 4.120 -0.002 0.000 0.291 2285 V C 0.991 177.174 176.094 0.149 0.000 1.039 2285 V CA 0.347 62.749 62.300 0.170 0.000 1.055 2285 V CB -0.083 31.872 31.823 0.221 0.000 0.969 2285 V HN 0.452 nan 8.190 nan 0.000 0.482 2286 R N 4.732 125.341 120.500 0.181 0.000 2.561 2286 R HA 0.316 4.655 4.340 -0.002 0.000 0.266 2286 R C -2.012 174.383 176.300 0.159 0.000 1.091 2286 R CA -1.241 54.945 56.100 0.144 0.000 0.927 2286 R CB 2.578 32.946 30.300 0.114 0.000 1.240 2286 R HN 0.426 nan 8.270 nan 0.000 0.449 2287 P HA -0.221 nan 4.420 nan 0.000 0.217 2287 P C -0.427 176.950 177.300 0.129 0.000 1.151 2287 P CA 1.409 64.580 63.100 0.118 0.000 0.849 2287 P CB 0.293 32.038 31.700 0.076 0.000 0.787 2288 Q N -1.928 117.931 119.800 0.099 0.000 2.534 2288 Q HA 0.457 4.796 4.340 -0.002 0.000 0.290 2288 Q C -0.954 175.060 176.000 0.024 0.000 0.991 2288 Q CA -1.054 54.805 55.803 0.094 0.000 0.783 2288 Q CB 0.854 29.632 28.738 0.067 0.000 1.470 2288 Q HN -0.130 nan 8.270 nan 0.000 0.406 2289 I N 1.530 122.103 120.570 0.005 0.000 2.648 2289 I HA 0.130 4.299 4.170 -0.002 0.000 0.284 2289 I C 0.549 176.568 176.117 -0.163 0.000 1.153 2289 I CA 0.019 61.216 61.300 -0.172 0.000 1.426 2289 I CB 0.436 38.291 38.000 -0.241 0.000 1.381 2289 I HN 0.502 nan 8.210 nan 0.000 0.571 2290 R N 6.278 126.567 120.500 -0.351 0.000 2.565 2290 R HA 0.291 4.630 4.340 -0.002 0.000 0.286 2290 R C -1.271 174.871 176.300 -0.263 0.000 1.256 2290 R CA -0.694 55.187 56.100 -0.364 0.000 1.238 2290 R CB 0.216 30.111 30.300 -0.676 0.000 1.153 2290 R HN 0.393 nan 8.270 nan 0.000 0.553 2291 L N 5.309 126.470 121.223 -0.103 0.000 2.335 2291 L HA 0.355 4.694 4.340 -0.002 0.000 0.268 2291 L C -0.956 175.922 176.870 0.013 0.000 1.037 2291 L CA -0.141 54.666 54.840 -0.054 0.000 0.895 2291 L CB 0.698 42.677 42.059 -0.133 0.000 1.266 2291 L HN 0.690 nan 8.230 nan 0.000 0.439 2292 E N 3.354 123.574 120.200 0.033 0.000 2.407 2292 E HA 0.534 4.883 4.350 -0.002 0.000 0.279 2292 E C -1.217 175.442 176.600 0.098 0.000 1.012 2292 E CA -1.068 55.360 56.400 0.047 0.000 0.800 2292 E CB 1.450 31.153 29.700 0.005 0.000 1.276 2292 E HN 0.368 nan 8.360 nan 0.000 0.452 2293 R N 0.554 121.095 120.500 0.068 0.000 2.528 2293 R HA 0.438 4.777 4.340 -0.002 0.000 0.271 2293 R C -0.483 175.860 176.300 0.072 0.000 1.056 2293 R CA -0.435 55.705 56.100 0.067 0.000 1.117 2293 R CB 1.070 31.384 30.300 0.023 0.000 1.085 2293 R HN 0.623 nan 8.270 nan 0.000 0.530 2294 E N 0.741 120.978 120.200 0.062 0.000 2.321 2294 E HA 0.073 4.422 4.350 -0.002 0.000 0.281 2294 E C -1.287 175.306 176.600 -0.011 0.000 0.910 2294 E CA -0.601 55.822 56.400 0.039 0.000 0.770 2294 E CB 1.587 31.351 29.700 0.107 0.000 1.225 2294 E HN 0.311 nan 8.360 nan 0.000 0.417 2295 Q N 2.455 122.246 119.800 -0.015 0.000 2.293 2295 Q HA 0.349 4.688 4.340 -0.002 0.000 0.251 2295 Q C -0.918 175.065 176.000 -0.029 0.000 0.930 2295 Q CA -0.287 55.499 55.803 -0.027 0.000 0.893 2295 Q CB 1.403 30.129 28.738 -0.020 0.000 1.215 2295 Q HN 0.395 nan 8.270 nan 0.000 0.425 2296 L N 3.457 124.658 121.223 -0.037 0.000 2.529 2296 L HA 0.270 4.609 4.340 -0.002 0.000 0.260 2296 L C -0.955 175.909 176.870 -0.011 0.000 0.997 2296 L CA -0.361 54.463 54.840 -0.027 0.000 0.885 2296 L CB 1.021 43.043 42.059 -0.062 0.000 1.185 2296 L HN 0.421 nan 8.230 nan 0.000 0.442 2297 R N 0.978 121.477 120.500 -0.001 0.000 2.488 2297 R HA 0.166 4.506 4.340 -0.002 0.000 0.306 2297 R C 0.572 176.880 176.300 0.014 0.000 1.271 2297 R CA 0.024 56.127 56.100 0.004 0.000 1.022 2297 R CB -0.539 29.763 30.300 0.004 0.000 1.054 2297 R HN 0.414 nan 8.270 nan 0.000 0.500 2298 T N 2.624 117.188 114.554 0.015 0.000 3.579 2298 T HA 0.392 4.742 4.350 -0.002 0.000 0.328 2298 T C 1.106 175.819 174.700 0.021 0.000 1.481 2298 T CA 0.683 62.800 62.100 0.027 0.000 1.144 2298 T CB -0.584 68.305 68.868 0.036 0.000 1.205 2298 T HN 0.826 nan 8.240 nan 0.000 0.812 2299 G N 6.124 114.935 108.800 0.019 0.000 2.531 2299 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.274 2299 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.274 2299 G C -1.049 173.857 174.900 0.009 0.000 1.159 2299 G CA -0.034 45.074 45.100 0.014 0.000 0.969 2299 G HN 0.533 nan 8.290 nan 0.000 0.554 2300 P HA 0.015 nan 4.420 nan 0.000 0.212 2300 P C 1.424 178.724 177.300 0.000 0.000 1.178 2300 P CA 2.534 65.636 63.100 0.003 0.000 0.915 2300 P CB -0.563 31.138 31.700 0.002 0.000 0.788 2301 S N 0.133 115.833 115.700 -0.000 0.000 2.693 2301 S HA 0.435 4.904 4.470 -0.002 0.000 0.276 2301 S C -0.073 174.525 174.600 -0.003 0.000 1.192 2301 S CA -0.734 57.464 58.200 -0.004 0.000 0.994 2301 S CB 0.647 63.843 63.200 -0.005 0.000 1.012 2301 S HN 0.280 nan 8.310 nan 0.000 0.550 2302 N N -0.828 117.867 118.700 -0.009 0.000 2.229 2302 N HA 0.664 5.403 4.740 -0.002 0.000 0.298 2302 N C -1.004 174.493 175.510 -0.021 0.000 1.114 2302 N CA -0.661 52.381 53.050 -0.012 0.000 0.776 2302 N CB 1.790 40.269 38.487 -0.014 0.000 1.501 2302 N HN 0.835 nan 8.380 nan 0.000 0.474 2303 T N -2.367 112.172 114.554 -0.026 0.000 2.916 2303 T HA 0.515 4.864 4.350 -0.002 0.000 0.292 2303 T C -0.825 173.840 174.700 -0.058 0.000 1.064 2303 T CA -0.909 61.169 62.100 -0.037 0.000 1.011 2303 T CB 1.545 70.399 68.868 -0.025 0.000 1.152 2303 T HN 0.409 nan 8.240 nan 0.000 0.510 2304 E N 1.048 121.210 120.200 -0.063 0.000 2.216 2304 E HA 0.511 4.860 4.350 -0.002 0.000 0.279 2304 E C -0.843 175.699 176.600 -0.097 0.000 0.997 2304 E CA -0.656 55.700 56.400 -0.073 0.000 0.817 2304 E CB 2.070 31.728 29.700 -0.070 0.000 1.096 2304 E HN 0.493 nan 8.360 nan 0.000 0.393 2305 V N 4.745 124.576 119.914 -0.139 0.000 2.378 2305 V HA 0.332 4.451 4.120 -0.002 0.000 0.288 2305 V C 0.110 176.116 176.094 -0.146 0.000 1.016 2305 V CA -0.635 61.518 62.300 -0.244 0.000 0.840 2305 V CB 1.057 32.560 31.823 -0.534 0.000 0.994 2305 V HN 0.518 nan 8.190 nan 0.000 0.431 2306 I N 4.983 125.493 120.570 -0.101 0.000 2.297 2306 I HA 0.357 4.526 4.170 -0.002 0.000 0.291 2306 I C 0.152 176.242 176.117 -0.044 0.000 1.033 2306 I CA -0.410 60.881 61.300 -0.015 0.000 1.253 2306 I CB 0.391 38.410 38.000 0.032 0.000 1.396 2306 I HN 0.613 nan 8.210 nan 0.000 0.476 2307 H N 4.782 123.879 119.070 0.044 0.000 2.615 2307 H HA 0.337 4.892 4.556 -0.001 0.000 0.363 2307 H C 0.153 175.516 175.328 0.058 0.000 1.148 2307 H CA -0.046 56.073 56.048 0.117 0.000 1.401 2307 H CB 0.586 30.405 29.762 0.095 0.000 1.461 2307 H HN 0.458 nan 8.280 nan 0.000 0.588 2308 N N 1.861 120.709 118.700 0.247 0.000 3.153 2308 N HA 0.055 4.794 4.740 -0.002 0.000 0.208 2308 N C -2.045 173.691 175.510 0.377 0.000 1.462 2308 N CA -0.499 52.657 53.050 0.177 0.000 0.754 2308 N CB -0.095 38.467 38.487 0.125 0.000 1.558 2308 N HN 0.590 nan 8.380 nan 0.000 0.605 2309 Y N -1.152 119.278 120.300 0.217 0.000 2.670 2309 Y HA 0.719 5.268 4.550 -0.001 0.000 0.334 2309 Y C 0.581 176.489 175.900 0.013 0.000 1.185 2309 Y CA -0.765 57.474 58.100 0.231 0.000 1.053 2309 Y CB 0.748 39.336 38.460 0.214 0.000 1.298 2309 Y HN 0.275 nan 8.280 nan 0.000 0.459 2310 G N 1.389 110.396 108.800 0.345 0.000 2.370 2310 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.268 2310 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.268 2310 G C -0.640 174.187 174.900 -0.122 0.000 1.122 2310 G CA 0.286 45.461 45.100 0.125 0.000 0.963 2310 G HN 1.075 nan 8.290 nan 0.000 0.500 2311 H N -0.246 118.765 119.070 -0.098 0.000 2.529 2311 H HA 0.437 4.992 4.556 -0.002 0.000 0.277 2311 H C 2.206 177.209 175.328 -0.542 0.000 1.004 2311 H CA 0.912 56.717 56.048 -0.406 0.000 1.167 2311 H CB 0.288 29.855 29.762 -0.326 0.000 1.445 2311 H HN 1.241 nan 8.280 nan 0.000 0.554 2312 G N 0.864 109.631 108.800 -0.054 0.000 2.684 2312 G HA2 -0.388 3.571 3.960 -0.002 0.000 0.332 2312 G HA3 -0.388 3.571 3.960 -0.002 0.000 0.332 2312 G C 1.423 176.414 174.900 0.150 0.000 1.306 2312 G CA 0.416 45.596 45.100 0.134 0.000 1.002 2312 G HN 0.597 nan 8.290 nan 0.000 0.545 2313 G N -0.608 108.466 108.800 0.456 0.000 3.440 2313 G HA2 0.483 4.442 3.960 -0.002 0.000 0.263 2313 G HA3 0.483 4.442 3.960 -0.002 0.000 0.263 2313 G C 0.427 175.506 174.900 0.297 0.000 1.236 2313 G CA 1.214 46.593 45.100 0.465 0.000 0.927 2313 G HN 1.500 nan 8.290 nan 0.000 0.530 2314 Y N -4.029 116.247 120.300 -0.040 0.000 2.830 2314 Y HA 0.399 4.948 4.550 -0.001 0.000 0.248 2314 Y C 1.460 177.340 175.900 -0.034 0.000 1.119 2314 Y CA -1.172 56.836 58.100 -0.152 0.000 1.164 2314 Y CB -0.206 38.034 38.460 -0.367 0.000 1.237 2314 Y HN -0.070 nan 8.280 nan 0.000 0.598 2315 G N 1.728 110.455 108.800 -0.123 0.000 2.440 2315 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.218 2315 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.218 2315 G C 1.291 176.212 174.900 0.035 0.000 1.154 2315 G CA 1.460 46.510 45.100 -0.083 0.000 0.767 2315 G HN 0.320 nan 8.290 nan 0.000 0.552 2316 L N 0.734 121.985 121.223 0.047 0.000 2.095 2316 L HA 0.023 4.362 4.340 -0.002 0.000 0.204 2316 L C 3.036 180.071 176.870 0.276 0.000 1.080 2316 L CA 1.640 56.563 54.840 0.139 0.000 0.759 2316 L CB -1.580 40.492 42.059 0.021 0.000 0.914 2316 L HN 0.176 nan 8.230 nan 0.000 0.439 2317 T N -0.314 114.275 114.554 0.059 0.000 2.849 2317 T HA -0.153 4.196 4.350 -0.002 0.000 0.270 2317 T C 1.743 176.509 174.700 0.111 0.000 1.066 2317 T CA 1.239 63.238 62.100 -0.168 0.000 1.130 2317 T CB 0.071 68.568 68.868 -0.618 0.000 0.864 2317 T HN 0.198 nan 8.240 nan 0.000 0.481 2318 I N 0.233 120.932 120.570 0.215 0.000 4.225 2318 I HA 0.132 4.301 4.170 -0.002 0.000 0.327 2318 I C 1.726 177.969 176.117 0.210 0.000 1.422 2318 I CA -0.140 61.331 61.300 0.285 0.000 1.150 2318 I CB 0.224 38.453 38.000 0.382 0.000 1.192 2318 I HN 0.321 nan 8.210 nan 0.000 0.440 2319 H N -0.968 118.221 119.070 0.199 0.000 2.387 2319 H HA -0.236 4.319 4.556 -0.001 0.000 0.299 2319 H C 2.042 177.472 175.328 0.171 0.000 1.090 2319 H CA 1.902 58.024 56.048 0.124 0.000 1.332 2319 H CB -0.629 29.227 29.762 0.156 0.000 1.386 2319 H HN 0.511 nan 8.280 nan 0.000 0.516 2320 W N 2.553 123.460 121.300 -0.655 0.000 2.379 2320 W HA -0.050 4.609 4.660 -0.002 0.000 0.307 2320 W C 2.408 178.802 176.519 -0.208 0.000 1.200 2320 W CA 1.481 58.566 57.345 -0.434 0.000 1.297 2320 W CB -0.398 28.758 29.460 -0.507 0.000 1.140 2320 W HN 0.441 nan 8.180 nan 0.000 0.507 2321 G N 0.177 108.947 108.800 -0.050 0.000 2.442 2321 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.219 2321 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.219 2321 G C 1.436 176.000 174.900 -0.561 0.000 1.141 2321 G CA 1.357 46.405 45.100 -0.086 0.000 0.763 2321 G HN 0.341 nan 8.290 nan 0.000 0.554 2322 C N 0.670 119.658 119.300 -0.520 0.000 2.457 2322 C HA 0.276 4.735 4.460 -0.002 0.000 0.278 2322 C C 3.499 178.217 174.990 -0.453 0.000 1.309 2322 C CA 0.643 59.263 59.018 -0.663 0.000 1.735 2322 C CB -0.817 26.761 27.740 -0.270 0.000 1.992 2322 C HN 0.569 nan 8.230 nan 0.000 0.493 2323 A N 0.575 123.169 122.820 -0.378 0.000 1.898 2323 A HA -0.052 4.267 4.320 -0.002 0.000 0.216 2323 A C 2.075 179.401 177.584 -0.430 0.000 1.181 2323 A CA 1.323 53.142 52.037 -0.363 0.000 0.620 2323 A CB -0.561 18.215 19.000 -0.374 0.000 0.819 2323 A HN 0.597 nan 8.150 nan 0.000 0.442 2324 L N -0.941 119.941 121.223 -0.569 0.000 2.093 2324 L HA -0.159 4.180 4.340 -0.002 0.000 0.208 2324 L C 2.593 179.332 176.870 -0.219 0.000 1.085 2324 L CA 1.561 56.156 54.840 -0.409 0.000 0.755 2324 L CB -0.452 41.354 42.059 -0.422 0.000 0.904 2324 L HN 0.401 nan 8.230 nan 0.000 0.435 2325 E N 0.727 120.768 120.200 -0.264 0.000 2.077 2325 E HA -0.191 4.158 4.350 -0.002 0.000 0.193 2325 E C 2.183 178.722 176.600 -0.102 0.000 0.989 2325 E CA 1.489 57.795 56.400 -0.157 0.000 0.800 2325 E CB -0.115 29.389 29.700 -0.327 0.000 0.746 2325 E HN 0.359 nan 8.360 nan 0.000 0.452 2326 A N 0.666 123.393 122.820 -0.155 0.000 1.933 2326 A HA -0.066 4.253 4.320 -0.002 0.000 0.218 2326 A C 2.412 180.007 177.584 0.019 0.000 1.175 2326 A CA 1.997 53.995 52.037 -0.065 0.000 0.628 2326 A CB -0.951 17.995 19.000 -0.089 0.000 0.814 2326 A HN 0.370 nan 8.150 nan 0.000 0.444 2327 A N -0.123 122.695 122.820 -0.002 0.000 1.902 2327 A HA -0.190 4.129 4.320 -0.002 0.000 0.217 2327 A C 2.161 179.915 177.584 0.282 0.000 1.181 2327 A CA 1.976 54.104 52.037 0.152 0.000 0.623 2327 A CB -0.479 18.545 19.000 0.040 0.000 0.818 2327 A HN 0.525 nan 8.150 nan 0.000 0.443 2328 K N -0.207 120.279 120.400 0.144 0.000 2.063 2328 K HA -0.114 4.205 4.320 -0.002 0.000 0.208 2328 K C 1.914 178.588 176.600 0.124 0.000 1.048 2328 K CA 1.568 57.942 56.287 0.146 0.000 0.928 2328 K CB -0.335 32.218 32.500 0.088 0.000 0.713 2328 K HN 0.513 nan 8.250 nan 0.000 0.442 2329 L N 0.033 121.314 121.223 0.095 0.000 2.093 2329 L HA -0.153 4.186 4.340 -0.002 0.000 0.208 2329 L C 2.454 179.351 176.870 0.045 0.000 1.085 2329 L CA 0.948 55.824 54.840 0.060 0.000 0.755 2329 L CB -0.514 41.577 42.059 0.053 0.000 0.904 2329 L HN 0.154 nan 8.230 nan 0.000 0.435 2330 F N 1.224 121.133 119.950 -0.068 0.000 2.120 2330 F HA -0.183 4.343 4.527 -0.002 0.000 0.300 2330 F C 2.212 177.831 175.800 -0.302 0.000 1.095 2330 F CA 1.632 59.529 58.000 -0.171 0.000 1.249 2330 F CB -0.536 38.360 39.000 -0.173 0.000 0.995 2330 F HN -0.007 nan 8.300 nan 0.000 0.480 2331 G N 0.085 108.780 108.800 -0.176 0.000 2.443 2331 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.219 2331 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.219 2331 G C 1.762 176.557 174.900 -0.174 0.000 1.131 2331 G CA 0.328 45.287 45.100 -0.234 0.000 0.775 2331 G HN 0.247 nan 8.290 nan 0.000 0.547 2332 R N 0.062 120.496 120.500 -0.111 0.000 2.115 2332 R HA 0.101 4.441 4.340 -0.002 0.000 0.230 2332 R C 2.401 178.611 176.300 -0.151 0.000 1.111 2332 R CA 0.572 56.618 56.100 -0.091 0.000 0.976 2332 R CB -0.447 29.828 30.300 -0.043 0.000 0.870 2332 R HN 0.425 nan 8.270 nan 0.000 0.445 2333 I N 0.829 121.256 120.570 -0.238 0.000 2.546 2333 I HA -0.200 3.969 4.170 -0.002 0.000 0.255 2333 I C 2.274 178.191 176.117 -0.334 0.000 1.163 2333 I CA 0.876 62.008 61.300 -0.281 0.000 1.457 2333 I CB -0.139 37.654 38.000 -0.345 0.000 1.092 2333 I HN 0.062 nan 8.210 nan 0.000 0.434 2334 L N 0.670 121.638 121.223 -0.426 0.000 2.072 2334 L HA -0.165 4.174 4.340 -0.002 0.000 0.205 2334 L C 2.687 179.437 176.870 -0.200 0.000 1.079 2334 L CA 1.399 56.023 54.840 -0.361 0.000 0.752 2334 L CB -0.487 41.310 42.059 -0.437 0.000 0.906 2334 L HN 0.369 nan 8.230 nan 0.000 0.436 2335 E N 0.095 120.202 120.200 -0.155 0.000 2.150 2335 E HA -0.235 4.114 4.350 -0.002 0.000 0.193 2335 E C 1.679 178.229 176.600 -0.083 0.000 0.985 2335 E CA 1.060 57.405 56.400 -0.091 0.000 0.814 2335 E CB -0.160 29.505 29.700 -0.058 0.000 0.752 2335 E HN 0.512 nan 8.360 nan 0.000 0.466 2336 E N 0.791 120.932 120.200 -0.099 0.000 2.107 2336 E HA -0.057 4.292 4.350 -0.002 0.000 0.191 2336 E C 1.593 178.144 176.600 -0.083 0.000 0.982 2336 E CA 0.653 57.004 56.400 -0.082 0.000 0.809 2336 E CB 0.181 29.831 29.700 -0.083 0.000 0.756 2336 E HN 0.083 nan 8.360 nan 0.000 0.459 2337 K N 0.784 121.119 120.400 -0.108 0.000 2.551 2337 K HA -0.006 4.313 4.320 -0.002 0.000 0.192 2337 K C 0.127 176.679 176.600 -0.080 0.000 1.027 2337 K CA 0.299 56.528 56.287 -0.097 0.000 1.059 2337 K CB 0.089 32.515 32.500 -0.124 0.000 0.831 2337 K HN 0.083 nan 8.250 nan 0.000 0.508 2338 K N -0.123 120.232 120.400 -0.075 0.000 3.130 2338 K HA -0.186 4.133 4.320 -0.002 0.000 0.282 2338 K C -0.133 176.435 176.600 -0.053 0.000 1.145 2338 K CA 0.343 56.596 56.287 -0.056 0.000 0.831 2338 K CB -1.179 31.296 32.500 -0.042 0.000 1.226 2338 K HN -0.006 nan 8.250 nan 0.000 0.478 2339 L N 0.752 121.933 121.223 -0.070 0.000 2.783 2339 L HA 0.305 4.644 4.340 -0.002 0.000 0.235 2339 L C -0.170 176.667 176.870 -0.055 0.000 1.260 2339 L CA 0.343 55.148 54.840 -0.059 0.000 1.184 2339 L CB 0.720 42.739 42.059 -0.067 0.000 1.472 2339 L HN 0.235 nan 8.230 nan 0.000 0.426 2340 S N 0.000 115.676 115.700 -0.039 0.000 2.498 2340 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 2340 S CA 0.000 58.186 58.200 -0.023 0.000 1.107 2340 S CB 0.000 63.181 63.200 -0.031 0.000 0.593 2340 S HN 0.000 nan 8.310 nan 0.000 0.517