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 1nv7_1_B DATA FIRST_RESID 2009 DATA SEQUENCE NIVTLTRFVM EEGRKARGTG EMTQLLNSLC TAVKAISTAV RKAGIAHLYG DATA SEQUENCE IAGSTNVTGD QVKKLDVLSN DLVINVLKSS FATCVLVSEE DKNAIIVEPE DATA SEQUENCE KRGKYVVCFD PLDGSSNIDC LVSIGTIFGI YRKNSTDEPS EKDALQPGRN DATA SEQUENCE LVAAGYALYG SATMLVLAMV NGVNCFMLDP AIGEFILVDR DVKIKKKGSI DATA SEQUENCE YSINEGYAKE FDPAITEYIQ RKKFPPDNSA PYGARYVGSM VADVHRTLVY DATA SEQUENCE GGIFMYPANK KSPKGKLRLL YECNPMAYVM EKAGGLATTG KEAVLDIVPT DATA SEQUENCE DIHQRAPIIL GSPEDVTELL EIYQKHA 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 2009 N HA 0.000 nan 4.740 nan 0.000 0.220 2009 N C 0.000 175.535 175.510 0.042 0.000 1.280 2009 N CA 0.000 53.070 53.050 0.034 0.000 0.885 2009 N CB 0.000 38.509 38.487 0.036 0.000 1.341 2010 I N 1.951 122.547 120.570 0.044 0.000 2.519 2010 I HA 0.283 4.453 4.170 -0.000 0.000 0.287 2010 I C -0.574 175.589 176.117 0.078 0.000 1.047 2010 I CA -0.124 61.209 61.300 0.054 0.000 1.381 2010 I CB 1.148 39.176 38.000 0.047 0.000 1.417 2010 I HN 0.238 nan 8.210 nan 0.000 0.540 2011 V N 6.658 126.634 119.914 0.103 0.000 2.407 2011 V HA 0.298 4.418 4.120 -0.000 0.000 0.291 2011 V C 0.373 176.586 176.094 0.197 0.000 1.018 2011 V CA -0.720 61.673 62.300 0.156 0.000 0.842 2011 V CB 1.631 33.575 31.823 0.201 0.000 0.996 2011 V HN 0.883 nan 8.190 nan 0.000 0.426 2012 T N 2.433 117.093 114.554 0.177 0.000 2.899 2012 T HA 0.338 4.688 4.350 -0.000 0.000 0.284 2012 T C 1.169 175.978 174.700 0.182 0.000 1.004 2012 T CA -0.556 61.651 62.100 0.178 0.000 1.043 2012 T CB 1.267 70.202 68.868 0.111 0.000 1.013 2012 T HN 0.394 nan 8.240 nan 0.000 0.518 2013 L N 1.153 122.410 121.223 0.057 0.000 2.131 2013 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 2013 L C 2.229 179.048 176.870 -0.086 0.000 1.092 2013 L CA 2.098 56.753 54.840 -0.308 0.000 0.759 2013 L CB -1.679 39.977 42.059 -0.672 0.000 0.903 2013 L HN 0.939 nan 8.230 nan 0.000 0.435 2014 T N -0.113 114.434 114.554 -0.011 0.000 2.684 2014 T HA -0.254 4.096 4.350 -0.000 0.000 0.267 2014 T C 1.934 176.652 174.700 0.031 0.000 1.036 2014 T CA 1.873 63.974 62.100 0.002 0.000 1.148 2014 T CB -0.194 68.683 68.868 0.016 0.000 0.863 2014 T HN 0.385 nan 8.240 nan 0.000 0.436 2015 R N -0.302 120.242 120.500 0.073 0.000 2.075 2015 R HA -0.025 4.315 4.340 -0.000 0.000 0.232 2015 R C 2.240 178.601 176.300 0.102 0.000 1.126 2015 R CA 1.129 57.276 56.100 0.079 0.000 0.963 2015 R CB -0.478 29.880 30.300 0.097 0.000 0.858 2015 R HN 0.398 nan 8.270 nan 0.000 0.435 2016 F N 1.160 121.128 119.950 0.030 0.000 2.046 2016 F HA -0.269 4.258 4.527 -0.000 0.000 0.297 2016 F C 2.141 177.943 175.800 0.003 0.000 1.123 2016 F CA 2.165 60.200 58.000 0.058 0.000 1.199 2016 F CB -0.440 38.656 39.000 0.161 0.000 0.972 2016 F HN -0.031 nan 8.300 nan 0.000 0.474 2017 V N -0.690 119.290 119.914 0.111 0.000 2.515 2017 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 2017 V C 2.183 178.218 176.094 -0.098 0.000 1.058 2017 V CA 1.773 64.057 62.300 -0.027 0.000 1.064 2017 V CB -0.905 30.910 31.823 -0.014 0.000 0.675 2017 V HN 0.556 nan 8.190 nan 0.000 0.461 2018 M N 1.489 121.051 119.600 -0.063 0.000 2.086 2018 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 2018 M C 2.062 178.311 176.300 -0.085 0.000 1.067 2018 M CA 2.610 57.873 55.300 -0.061 0.000 1.116 2018 M CB -0.780 31.800 32.600 -0.034 0.000 1.348 2018 M HN 0.549 nan 8.290 nan 0.000 0.407 2019 E N -0.105 120.030 120.200 -0.108 0.000 2.150 2019 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 2019 E C 1.774 178.266 176.600 -0.180 0.000 0.985 2019 E CA 1.365 57.691 56.400 -0.125 0.000 0.814 2019 E CB -0.193 29.437 29.700 -0.116 0.000 0.752 2019 E HN 0.540 nan 8.360 nan 0.000 0.466 2020 E N -0.516 119.515 120.200 -0.282 0.000 2.152 2020 E HA -0.049 4.301 4.350 -0.000 0.000 0.192 2020 E C 1.982 178.497 176.600 -0.141 0.000 0.983 2020 E CA 0.985 57.221 56.400 -0.273 0.000 0.818 2020 E CB -0.384 29.084 29.700 -0.386 0.000 0.758 2020 E HN 0.429 nan 8.360 nan 0.000 0.467 2021 G N 1.548 110.279 108.800 -0.114 0.000 2.408 2021 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 2021 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 2021 G C 1.675 176.544 174.900 -0.052 0.000 1.150 2021 G CA 0.175 45.235 45.100 -0.067 0.000 0.776 2021 G HN 0.128 nan 8.290 nan 0.000 0.542 2022 R N 0.624 121.089 120.500 -0.059 0.000 2.066 2022 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 2022 R C 2.553 178.830 176.300 -0.038 0.000 1.131 2022 R CA 1.278 57.353 56.100 -0.042 0.000 0.955 2022 R CB -0.457 29.819 30.300 -0.041 0.000 0.851 2022 R HN 0.276 nan 8.270 nan 0.000 0.432 2023 K N 0.621 120.990 120.400 -0.052 0.000 2.160 2023 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 2023 K C 1.817 178.400 176.600 -0.028 0.000 1.047 2023 K CA 1.638 57.899 56.287 -0.043 0.000 0.930 2023 K CB -0.073 32.391 32.500 -0.060 0.000 0.720 2023 K HN 0.180 nan 8.250 nan 0.000 0.450 2024 A N 0.298 123.102 122.820 -0.028 0.000 2.308 2024 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 2024 A C 0.092 177.676 177.584 -0.001 0.000 1.216 2024 A CA -0.152 51.879 52.037 -0.010 0.000 0.864 2024 A CB -0.061 18.935 19.000 -0.006 0.000 0.902 2024 A HN 0.263 nan 8.150 nan 0.000 0.499 2025 R N -0.988 119.508 120.500 -0.007 0.000 3.516 2025 R HA -0.170 4.170 4.340 -0.000 0.000 0.271 2025 R C 0.720 177.024 176.300 0.007 0.000 1.098 2025 R CA 0.304 56.403 56.100 -0.001 0.000 0.732 2025 R CB -2.251 28.050 30.300 0.002 0.000 1.152 2025 R HN 0.640 nan 8.270 nan 0.000 0.455 2026 G N -0.200 108.604 108.800 0.007 0.000 2.636 2026 G HA2 0.150 4.110 3.960 -0.000 0.000 0.246 2026 G HA3 0.150 4.110 3.960 -0.000 0.000 0.246 2026 G C 1.174 176.086 174.900 0.019 0.000 1.216 2026 G CA 0.189 45.303 45.100 0.022 0.000 0.854 2026 G HN 0.295 nan 8.290 nan 0.000 0.572 2027 T N -2.399 112.175 114.554 0.034 0.000 3.160 2027 T HA 0.298 4.647 4.350 -0.000 0.000 0.257 2027 T C 1.802 176.515 174.700 0.021 0.000 1.147 2027 T CA 0.979 63.095 62.100 0.027 0.000 1.064 2027 T CB -0.019 68.871 68.868 0.037 0.000 0.949 2027 T HN 2.086 nan 8.240 nan 0.000 0.526 2028 G N 0.967 109.777 108.800 0.017 0.000 2.213 2028 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.226 2028 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.226 2028 G C 0.642 175.548 174.900 0.011 0.000 0.992 2028 G CA 0.496 45.598 45.100 0.002 0.000 0.632 2028 G HN 0.555 nan 8.290 nan 0.000 0.511 2029 E N -0.254 119.978 120.200 0.054 0.000 2.072 2029 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 2029 E C 2.412 179.015 176.600 0.005 0.000 0.985 2029 E CA 1.499 57.951 56.400 0.086 0.000 0.801 2029 E CB -0.143 29.675 29.700 0.197 0.000 0.750 2029 E HN 0.651 nan 8.360 nan 0.000 0.452 2030 M N -0.137 119.426 119.600 -0.061 0.000 2.254 2030 M HA -0.095 4.385 4.480 -0.000 0.000 0.265 2030 M C 1.925 178.105 176.300 -0.200 0.000 1.066 2030 M CA 1.324 56.442 55.300 -0.303 0.000 1.123 2030 M CB 0.119 32.530 32.600 -0.315 0.000 1.388 2030 M HN 0.001 nan 8.290 nan 0.000 0.425 2031 T N 0.291 114.779 114.554 -0.110 0.000 2.674 2031 T HA -0.222 4.128 4.350 -0.000 0.000 0.265 2031 T C 1.636 176.280 174.700 -0.093 0.000 1.039 2031 T CA 1.837 63.882 62.100 -0.092 0.000 1.150 2031 T CB -0.266 68.565 68.868 -0.062 0.000 0.864 2031 T HN 0.422 nan 8.240 nan 0.000 0.427 2032 Q N 0.443 120.200 119.800 -0.070 0.000 2.135 2032 Q HA -0.064 4.276 4.340 -0.000 0.000 0.204 2032 Q C 2.081 178.033 176.000 -0.080 0.000 0.981 2032 Q CA 1.056 56.825 55.803 -0.057 0.000 0.856 2032 Q CB -0.581 28.145 28.738 -0.021 0.000 0.902 2032 Q HN 0.420 nan 8.270 nan 0.000 0.425 2033 L N -0.607 120.545 121.223 -0.118 0.000 2.056 2033 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 2033 L C 1.790 178.538 176.870 -0.203 0.000 1.078 2033 L CA 1.698 56.444 54.840 -0.158 0.000 0.749 2033 L CB -0.518 41.396 42.059 -0.241 0.000 0.901 2033 L HN 0.335 nan 8.230 nan 0.000 0.433 2034 L N -0.603 120.492 121.223 -0.213 0.000 2.109 2034 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 2034 L C 2.181 178.923 176.870 -0.213 0.000 1.086 2034 L CA 1.564 56.262 54.840 -0.236 0.000 0.760 2034 L CB -0.607 41.339 42.059 -0.189 0.000 0.910 2034 L HN 0.419 nan 8.230 nan 0.000 0.437 2035 N N -0.867 117.743 118.700 -0.151 0.000 2.188 2035 N HA -0.146 4.594 4.740 -0.000 0.000 0.184 2035 N C 1.905 177.348 175.510 -0.112 0.000 1.018 2035 N CA 1.203 54.183 53.050 -0.116 0.000 0.858 2035 N CB 0.027 38.469 38.487 -0.076 0.000 0.989 2035 N HN 0.154 nan 8.380 nan 0.000 0.426 2036 S N 0.930 116.559 115.700 -0.117 0.000 2.368 2036 S HA -0.075 4.395 4.470 -0.000 0.000 0.225 2036 S C 1.832 176.339 174.600 -0.156 0.000 1.030 2036 S CA 0.606 58.740 58.200 -0.110 0.000 0.999 2036 S CB -0.263 62.880 63.200 -0.096 0.000 0.844 2036 S HN 0.191 nan 8.310 nan 0.000 0.459 2037 L N 1.470 122.550 121.223 -0.237 0.000 2.042 2037 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 2037 L C 2.562 179.276 176.870 -0.259 0.000 1.076 2037 L CA 1.561 56.202 54.840 -0.332 0.000 0.749 2037 L CB -0.926 40.805 42.059 -0.547 0.000 0.893 2037 L HN 0.557 nan 8.230 nan 0.000 0.432 2038 C N -1.702 117.464 119.300 -0.224 0.000 2.440 2038 C HA -0.122 4.338 4.460 -0.000 0.000 0.278 2038 C C 2.687 177.713 174.990 0.061 0.000 1.295 2038 C CA 1.330 60.271 59.018 -0.129 0.000 1.738 2038 C CB -1.030 26.614 27.740 -0.160 0.000 1.987 2038 C HN 0.605 nan 8.230 nan 0.000 0.492 2039 T N 1.001 115.554 114.554 -0.002 0.000 2.777 2039 T HA -0.013 4.337 4.350 -0.000 0.000 0.266 2039 T C 2.184 176.887 174.700 0.006 0.000 1.040 2039 T CA 1.741 63.849 62.100 0.014 0.000 1.141 2039 T CB -0.515 68.342 68.868 -0.017 0.000 0.868 2039 T HN 0.724 nan 8.240 nan 0.000 0.444 2040 A N 0.861 123.659 122.820 -0.037 0.000 1.902 2040 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 2040 A C 2.547 180.141 177.584 0.017 0.000 1.181 2040 A CA 1.293 53.304 52.037 -0.043 0.000 0.623 2040 A CB -0.982 17.951 19.000 -0.111 0.000 0.818 2040 A HN 0.356 nan 8.150 nan 0.000 0.443 2041 V N 0.019 119.974 119.914 0.069 0.000 2.407 2041 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 2041 V C 2.458 178.705 176.094 0.255 0.000 1.055 2041 V CA 2.303 64.734 62.300 0.217 0.000 1.049 2041 V CB -0.602 31.357 31.823 0.228 0.000 0.662 2041 V HN 0.540 nan 8.190 nan 0.000 0.455 2042 K N 0.087 120.608 120.400 0.201 0.000 2.057 2042 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 2042 K C 2.291 178.896 176.600 0.008 0.000 1.049 2042 K CA 1.468 57.804 56.287 0.082 0.000 0.931 2042 K CB -0.380 32.135 32.500 0.026 0.000 0.714 2042 K HN 0.469 nan 8.250 nan 0.000 0.440 2043 A N 1.133 123.954 122.820 0.001 0.000 1.969 2043 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 2043 A C 2.048 179.593 177.584 -0.064 0.000 1.169 2043 A CA 1.192 53.210 52.037 -0.031 0.000 0.635 2043 A CB -0.468 18.516 19.000 -0.026 0.000 0.810 2043 A HN 0.174 nan 8.150 nan 0.000 0.445 2044 I N -1.169 119.357 120.570 -0.074 0.000 2.286 2044 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 2044 I C 2.796 178.691 176.117 -0.371 0.000 1.104 2044 I CA 1.277 62.471 61.300 -0.176 0.000 1.397 2044 I CB -0.248 37.682 38.000 -0.116 0.000 1.072 2044 I HN 0.377 nan 8.210 nan 0.000 0.417 2045 S N 0.231 115.711 115.700 -0.367 0.000 2.359 2045 S HA -0.228 4.242 4.470 -0.000 0.000 0.224 2045 S C 2.109 176.586 174.600 -0.206 0.000 1.035 2045 S CA 2.424 60.395 58.200 -0.382 0.000 1.018 2045 S CB -0.343 62.841 63.200 -0.027 0.000 0.876 2045 S HN 0.420 nan 8.310 nan 0.000 0.448 2046 T N 1.769 116.249 114.554 -0.124 0.000 2.746 2046 T HA 0.008 4.358 4.350 -0.000 0.000 0.267 2046 T C 2.016 176.669 174.700 -0.079 0.000 1.039 2046 T CA 1.327 63.378 62.100 -0.080 0.000 1.142 2046 T CB -0.618 68.216 68.868 -0.057 0.000 0.866 2046 T HN 0.530 nan 8.240 nan 0.000 0.444 2047 A N 0.737 123.498 122.820 -0.098 0.000 1.898 2047 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 2047 A C 2.553 180.086 177.584 -0.086 0.000 1.181 2047 A CA 1.120 53.111 52.037 -0.077 0.000 0.620 2047 A CB -0.879 18.076 19.000 -0.075 0.000 0.819 2047 A HN 0.356 nan 8.150 nan 0.000 0.442 2048 V N -0.245 119.576 119.914 -0.155 0.000 2.427 2048 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 2048 V C 2.453 178.504 176.094 -0.072 0.000 1.051 2048 V CA 2.107 64.322 62.300 -0.142 0.000 1.048 2048 V CB -0.720 30.932 31.823 -0.284 0.000 0.666 2048 V HN 0.441 nan 8.190 nan 0.000 0.456 2049 R N 0.029 120.488 120.500 -0.068 0.000 2.323 2049 R HA 0.085 4.425 4.340 -0.000 0.000 0.198 2049 R C 0.770 177.059 176.300 -0.018 0.000 0.988 2049 R CA 0.096 56.178 56.100 -0.030 0.000 1.041 2049 R CB -0.217 30.067 30.300 -0.026 0.000 0.926 2049 R HN 0.246 nan 8.270 nan 0.000 0.476 2050 K N -1.782 118.608 120.400 -0.017 0.000 3.291 2050 K HA -0.160 4.160 4.320 -0.000 0.000 0.290 2050 K C -0.518 176.089 176.600 0.011 0.000 1.235 2050 K CA 0.902 57.191 56.287 0.004 0.000 0.848 2050 K CB -2.481 30.025 32.500 0.010 0.000 1.295 2050 K HN 0.335 nan 8.250 nan 0.000 0.497 2051 A N 0.207 123.028 122.820 0.002 0.000 2.546 2051 A HA 0.435 4.755 4.320 -0.000 0.000 0.243 2051 A C 1.607 179.215 177.584 0.040 0.000 1.063 2051 A CA 1.440 53.485 52.037 0.013 0.000 0.757 2051 A CB -0.015 18.986 19.000 0.001 0.000 0.991 2051 A HN 1.219 nan 8.150 nan 0.000 0.503 2052 G N 1.688 110.529 108.800 0.068 0.000 2.176 2052 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.253 2052 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.253 2052 G C 0.899 175.889 174.900 0.149 0.000 0.979 2052 G CA 0.521 45.706 45.100 0.142 0.000 0.641 2052 G HN 1.310 nan 8.290 nan 0.000 0.530 2053 I N 0.753 121.384 120.570 0.102 0.000 2.567 2053 I HA 0.084 4.253 4.170 -0.000 0.000 0.257 2053 I C 2.750 178.978 176.117 0.185 0.000 1.184 2053 I CA 1.960 63.347 61.300 0.146 0.000 1.451 2053 I CB -0.162 37.914 38.000 0.126 0.000 1.089 2053 I HN 0.379 nan 8.210 nan 0.000 0.441 2054 A N 0.142 123.007 122.820 0.076 0.000 1.978 2054 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 2054 A C 2.106 179.702 177.584 0.019 0.000 1.170 2054 A CA 1.657 53.708 52.037 0.023 0.000 0.636 2054 A CB -0.978 17.964 19.000 -0.096 0.000 0.810 2054 A HN 0.578 nan 8.150 nan 0.000 0.448 2055 H N -0.728 118.388 119.070 0.077 0.000 2.352 2055 H HA -0.095 4.461 4.556 -0.000 0.000 0.299 2055 H C 2.039 177.392 175.328 0.041 0.000 1.097 2055 H CA 1.529 57.606 56.048 0.049 0.000 1.311 2055 H CB -0.256 29.521 29.762 0.025 0.000 1.377 2055 H HN 0.272 nan 8.280 nan 0.000 0.504 2056 L N 0.201 121.522 121.223 0.164 0.000 2.079 2056 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 2056 L C 1.517 178.319 176.870 -0.114 0.000 1.081 2056 L CA 1.632 56.478 54.840 0.010 0.000 0.752 2056 L CB -1.180 40.868 42.059 -0.019 0.000 0.896 2056 L HN 0.303 nan 8.230 nan 0.000 0.433 2057 Y N -0.473 119.835 120.300 0.014 0.000 2.470 2057 Y HA 0.276 4.826 4.550 -0.000 0.000 0.284 2057 Y C 1.634 177.530 175.900 -0.006 0.000 1.188 2057 Y CA 0.487 58.587 58.100 0.000 0.000 1.269 2057 Y CB -0.137 38.318 38.460 -0.010 0.000 1.094 2057 Y HN 0.353 nan 8.280 nan 0.000 0.518 2058 G N 0.450 109.301 108.800 0.085 0.000 2.132 2058 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.228 2058 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.228 2058 G C 1.116 176.034 174.900 0.030 0.000 1.000 2058 G CA 0.389 45.519 45.100 0.051 0.000 0.693 2058 G HN 0.549 nan 8.290 nan 0.000 0.515 2059 I N -0.088 120.478 120.570 -0.007 0.000 2.399 2059 I HA 0.002 4.172 4.170 -0.000 0.000 0.254 2059 I C 2.214 178.309 176.117 -0.037 0.000 1.146 2059 I CA 2.285 63.551 61.300 -0.057 0.000 1.412 2059 I CB 0.059 37.961 38.000 -0.164 0.000 1.076 2059 I HN 0.511 nan 8.210 nan 0.000 0.432 2060 A N 0.369 123.191 122.820 0.003 0.000 2.630 2060 A HA 0.557 4.877 4.320 -0.000 0.000 0.290 2060 A C 0.852 178.465 177.584 0.048 0.000 1.267 2060 A CA 0.285 52.350 52.037 0.047 0.000 0.950 2060 A CB -0.727 18.349 19.000 0.127 0.000 1.144 2060 A HN 0.649 nan 8.150 nan 0.000 0.527 2061 G N -0.362 108.458 108.800 0.033 0.000 2.593 2061 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.237 2061 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.237 2061 G C 0.071 174.989 174.900 0.030 0.000 1.312 2061 G CA -0.017 45.099 45.100 0.027 0.000 0.896 2061 G HN 1.175 nan 8.290 nan 0.000 0.574 2062 S N 0.137 115.848 115.700 0.019 0.000 2.667 2062 S HA 0.706 5.176 4.470 -0.000 0.000 0.304 2062 S C 0.748 175.355 174.600 0.012 0.000 1.135 2062 S CA 0.878 59.086 58.200 0.014 0.000 1.125 2062 S CB 0.496 63.699 63.200 0.004 0.000 0.996 2062 S HN 1.646 nan 8.310 nan 0.000 0.474 2063 T N 1.206 115.769 114.554 0.014 0.000 3.266 2063 T HA 0.089 4.439 4.350 -0.000 0.000 0.264 2063 T C 0.849 175.551 174.700 0.003 0.000 0.839 2063 T CA -0.368 61.737 62.100 0.008 0.000 0.828 2063 T CB -0.578 68.297 68.868 0.012 0.000 1.255 2063 T HN 0.441 nan 8.240 nan 0.000 0.652 2064 N N 1.306 120.010 118.700 0.006 0.000 2.501 2064 N HA 0.243 4.983 4.740 -0.000 0.000 0.195 2064 N C -0.709 174.790 175.510 -0.019 0.000 1.213 2064 N CA 0.244 53.287 53.050 -0.012 0.000 0.864 2064 N CB 0.198 38.672 38.487 -0.022 0.000 0.999 2064 N HN 0.260 nan 8.380 nan 0.000 0.454 2065 V N -0.114 119.793 119.914 -0.012 0.000 2.623 2065 V HA 0.153 4.273 4.120 -0.000 0.000 0.304 2065 V C 1.109 177.196 176.094 -0.012 0.000 1.054 2065 V CA -0.634 61.658 62.300 -0.015 0.000 0.882 2065 V CB 1.391 33.205 31.823 -0.015 0.000 1.002 2065 V HN 0.262 nan 8.190 nan 0.000 0.424 2066 T N 0.738 115.284 114.554 -0.013 0.000 2.978 2066 T HA 0.299 4.649 4.350 -0.000 0.000 0.262 2066 T C 0.832 175.526 174.700 -0.010 0.000 1.063 2066 T CA 0.974 63.068 62.100 -0.010 0.000 1.140 2066 T CB 0.367 69.229 68.868 -0.010 0.000 0.886 2066 T HN 1.023 nan 8.240 nan 0.000 0.470 2067 G N 0.320 109.113 108.800 -0.012 0.000 3.003 2067 G HA2 0.475 4.435 3.960 -0.000 0.000 0.243 2067 G HA3 0.475 4.435 3.960 -0.000 0.000 0.243 2067 G C -1.220 173.671 174.900 -0.015 0.000 1.176 2067 G CA -0.202 44.890 45.100 -0.012 0.000 0.812 2067 G HN 0.096 nan 8.290 nan 0.000 0.584 2068 D N 0.737 121.128 120.400 -0.015 0.000 2.340 2068 D HA 0.134 4.774 4.640 -0.000 0.000 0.217 2068 D C 0.443 176.732 176.300 -0.018 0.000 1.081 2068 D CA 0.084 54.073 54.000 -0.018 0.000 0.842 2068 D CB 0.410 41.200 40.800 -0.017 0.000 0.934 2068 D HN 0.134 nan 8.370 nan 0.000 0.511 2069 Q N 1.209 121.000 119.800 -0.016 0.000 2.388 2069 Q HA 0.148 4.488 4.340 -0.000 0.000 0.246 2069 Q C -0.198 175.792 176.000 -0.017 0.000 1.246 2069 Q CA 0.283 56.078 55.803 -0.014 0.000 0.895 2069 Q CB 0.611 29.341 28.738 -0.013 0.000 1.510 2069 Q HN 0.034 nan 8.270 nan 0.000 0.503 2070 V N 2.533 122.436 119.914 -0.017 0.000 3.007 2070 V HA 0.439 4.559 4.120 -0.000 0.000 0.311 2070 V C -0.623 175.463 176.094 -0.013 0.000 1.120 2070 V CA -1.070 61.218 62.300 -0.018 0.000 0.980 2070 V CB 2.639 34.447 31.823 -0.026 0.000 1.033 2070 V HN 0.549 nan 8.190 nan 0.000 0.429 2071 K N 2.171 122.565 120.400 -0.010 0.000 2.413 2071 K HA 0.550 4.870 4.320 -0.000 0.000 0.257 2071 K C -0.684 175.915 176.600 -0.002 0.000 0.946 2071 K CA -0.785 55.499 56.287 -0.005 0.000 0.823 2071 K CB 1.968 34.467 32.500 -0.003 0.000 1.109 2071 K HN 0.451 nan 8.250 nan 0.000 0.427 2072 K N 1.546 121.947 120.400 0.002 0.000 2.606 2072 K HA -0.164 4.156 4.320 -0.000 0.000 0.279 2072 K C 1.107 177.712 176.600 0.009 0.000 0.961 2072 K CA -0.200 56.092 56.287 0.008 0.000 1.002 2072 K CB 0.240 32.746 32.500 0.011 0.000 0.871 2072 K HN 0.437 nan 8.250 nan 0.000 0.508 2073 L N 3.449 124.678 121.223 0.011 0.000 2.013 2073 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 2073 L C 1.870 178.749 176.870 0.015 0.000 1.073 2073 L CA 2.247 57.091 54.840 0.007 0.000 0.753 2073 L CB -0.832 41.233 42.059 0.010 0.000 0.890 2073 L HN 0.876 nan 8.230 nan 0.000 0.432 2074 D N -1.750 118.665 120.400 0.026 0.000 2.144 2074 D HA -0.148 4.492 4.640 -0.000 0.000 0.200 2074 D C 2.022 178.343 176.300 0.035 0.000 0.978 2074 D CA 1.461 55.483 54.000 0.037 0.000 0.833 2074 D CB -0.901 39.920 40.800 0.036 0.000 0.961 2074 D HN 0.260 nan 8.370 nan 0.000 0.470 2075 V N 0.383 120.311 119.914 0.024 0.000 2.453 2075 V HA -0.141 3.979 4.120 -0.000 0.000 0.247 2075 V C 2.495 178.603 176.094 0.022 0.000 1.048 2075 V CA 1.200 63.514 62.300 0.022 0.000 1.049 2075 V CB -0.536 31.294 31.823 0.013 0.000 0.672 2075 V HN 0.172 nan 8.190 nan 0.000 0.457 2076 L N 0.085 121.316 121.223 0.013 0.000 2.056 2076 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 2076 L C 2.483 179.358 176.870 0.008 0.000 1.078 2076 L CA 2.117 56.960 54.840 0.005 0.000 0.749 2076 L CB -0.722 41.333 42.059 -0.006 0.000 0.901 2076 L HN 0.254 nan 8.230 nan 0.000 0.433 2077 S N 0.013 115.724 115.700 0.018 0.000 2.368 2077 S HA -0.210 4.260 4.470 -0.000 0.000 0.225 2077 S C 1.813 176.445 174.600 0.053 0.000 1.030 2077 S CA 1.498 59.715 58.200 0.029 0.000 0.999 2077 S CB -0.671 62.561 63.200 0.054 0.000 0.844 2077 S HN 0.625 nan 8.310 nan 0.000 0.459 2078 N N 1.687 120.438 118.700 0.084 0.000 2.043 2078 N HA -0.143 4.597 4.740 -0.000 0.000 0.193 2078 N C 1.139 176.703 175.510 0.090 0.000 1.037 2078 N CA 1.758 54.891 53.050 0.138 0.000 0.851 2078 N CB -0.359 38.199 38.487 0.118 0.000 1.027 2078 N HN 0.213 nan 8.380 nan 0.000 0.422 2079 D N -0.051 120.377 120.400 0.047 0.000 2.144 2079 D HA -0.111 4.529 4.640 -0.000 0.000 0.199 2079 D C 2.049 178.346 176.300 -0.005 0.000 0.984 2079 D CA 0.636 54.649 54.000 0.022 0.000 0.834 2079 D CB -0.282 40.525 40.800 0.012 0.000 0.955 2079 D HN 0.344 nan 8.370 nan 0.000 0.465 2080 L N 0.347 121.560 121.223 -0.017 0.000 2.046 2080 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 2080 L C 2.576 179.394 176.870 -0.087 0.000 1.077 2080 L CA 0.645 55.460 54.840 -0.042 0.000 0.747 2080 L CB -0.353 41.683 42.059 -0.039 0.000 0.896 2080 L HN -0.067 nan 8.230 nan 0.000 0.432 2081 V N -0.272 119.563 119.914 -0.133 0.000 2.295 2081 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 2081 V C 2.418 178.345 176.094 -0.278 0.000 1.049 2081 V CA 1.407 63.520 62.300 -0.313 0.000 1.024 2081 V CB -0.412 31.023 31.823 -0.646 0.000 0.648 2081 V HN 0.255 nan 8.190 nan 0.000 0.447 2082 I N 0.546 121.044 120.570 -0.121 0.000 2.127 2082 I HA -0.216 3.954 4.170 -0.000 0.000 0.241 2082 I C 2.400 178.491 176.117 -0.044 0.000 1.075 2082 I CA 1.696 62.985 61.300 -0.019 0.000 1.334 2082 I CB -1.486 36.560 38.000 0.077 0.000 1.040 2082 I HN 0.411 nan 8.210 nan 0.000 0.405 2083 N N 0.556 119.233 118.700 -0.039 0.000 2.188 2083 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 2083 N C 1.942 177.426 175.510 -0.043 0.000 1.018 2083 N CA 1.098 54.128 53.050 -0.034 0.000 0.858 2083 N CB 0.150 38.624 38.487 -0.023 0.000 0.989 2083 N HN 0.168 nan 8.380 nan 0.000 0.426 2084 V N 1.862 121.737 119.914 -0.065 0.000 2.548 2084 V HA -0.102 4.018 4.120 -0.000 0.000 0.249 2084 V C 2.421 178.470 176.094 -0.076 0.000 1.055 2084 V CA 0.843 63.104 62.300 -0.064 0.000 1.065 2084 V CB -0.291 31.483 31.823 -0.081 0.000 0.681 2084 V HN 0.237 nan 8.190 nan 0.000 0.462 2085 L N -0.468 120.688 121.223 -0.112 0.000 2.027 2085 L HA -0.170 4.170 4.340 -0.000 0.000 0.206 2085 L C 2.629 179.468 176.870 -0.052 0.000 1.074 2085 L CA 1.716 56.495 54.840 -0.102 0.000 0.745 2085 L CB -0.661 41.319 42.059 -0.133 0.000 0.898 2085 L HN 0.263 nan 8.230 nan 0.000 0.433 2086 K N -0.143 120.224 120.400 -0.056 0.000 2.074 2086 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 2086 K C 2.043 178.580 176.600 -0.105 0.000 1.048 2086 K CA 1.723 57.959 56.287 -0.084 0.000 0.926 2086 K CB -0.162 32.286 32.500 -0.086 0.000 0.713 2086 K HN 0.161 nan 8.250 nan 0.000 0.444 2087 S N 0.655 116.344 115.700 -0.019 0.000 2.555 2087 S HA -0.054 4.416 4.470 -0.000 0.000 0.230 2087 S C 1.699 176.458 174.600 0.266 0.000 0.978 2087 S CA 1.011 59.278 58.200 0.112 0.000 0.934 2087 S CB -0.050 63.203 63.200 0.089 0.000 0.766 2087 S HN 0.391 nan 8.310 nan 0.000 0.533 2088 S N 0.479 116.272 115.700 0.154 0.000 2.562 2088 S HA 0.078 4.548 4.470 -0.000 0.000 0.221 2088 S C 0.653 175.442 174.600 0.314 0.000 0.975 2088 S CA -0.169 58.130 58.200 0.164 0.000 0.918 2088 S CB -0.809 62.419 63.200 0.045 0.000 0.772 2088 S HN 0.328 nan 8.310 nan 0.000 0.531 2089 F N 0.287 120.238 119.950 0.001 0.000 3.100 2089 F HA -0.297 4.230 4.527 -0.000 0.000 0.284 2089 F C 1.359 177.182 175.800 0.039 0.000 0.875 2089 F CA 0.252 58.262 58.000 0.016 0.000 1.039 2089 F CB -1.735 37.272 39.000 0.010 0.000 1.111 2089 F HN 0.451 nan 8.300 nan 0.000 0.575 2090 A N -1.201 121.720 122.820 0.169 0.000 2.431 2090 A HA 0.461 4.781 4.320 -0.000 0.000 0.239 2090 A C 1.026 178.738 177.584 0.214 0.000 1.230 2090 A CA 0.757 52.911 52.037 0.195 0.000 0.928 2090 A CB 0.079 19.169 19.000 0.150 0.000 1.006 2090 A HN 0.376 nan 8.150 nan 0.000 0.520 2091 T N -4.264 110.360 114.554 0.118 0.000 2.924 2091 T HA 0.456 4.806 4.350 -0.000 0.000 0.291 2091 T C 0.587 175.321 174.700 0.056 0.000 1.045 2091 T CA -0.034 62.136 62.100 0.117 0.000 1.015 2091 T CB 1.430 70.353 68.868 0.092 0.000 1.103 2091 T HN 0.652 nan 8.240 nan 0.000 0.496 2092 C N -0.095 119.237 119.300 0.055 0.000 3.637 2092 C HA 0.649 5.109 4.460 -0.000 0.000 0.439 2092 C C -0.076 174.929 174.990 0.026 0.000 1.443 2092 C CA -0.407 58.623 59.018 0.020 0.000 2.037 2092 C CB -0.630 27.112 27.740 0.003 0.000 2.957 2092 C HN 0.659 nan 8.230 nan 0.000 0.669 2093 V N 2.573 122.518 119.914 0.052 0.000 2.623 2093 V HA 0.541 4.661 4.120 -0.000 0.000 0.304 2093 V C -0.810 175.340 176.094 0.094 0.000 1.054 2093 V CA -0.166 62.165 62.300 0.053 0.000 0.882 2093 V CB 1.742 33.586 31.823 0.035 0.000 1.002 2093 V HN 0.387 nan 8.190 nan 0.000 0.424 2094 L N 4.789 126.070 121.223 0.096 0.000 2.334 2094 L HA 0.780 5.120 4.340 -0.000 0.000 0.276 2094 L C -0.788 176.119 176.870 0.062 0.000 1.014 2094 L CA -0.965 53.971 54.840 0.160 0.000 0.815 2094 L CB 2.190 44.400 42.059 0.252 0.000 1.268 2094 L HN 0.331 nan 8.230 nan 0.000 0.428 2095 V N 1.517 121.431 119.914 0.001 0.000 2.407 2095 V HA 0.402 4.522 4.120 -0.000 0.000 0.291 2095 V C -0.243 175.509 176.094 -0.571 0.000 1.018 2095 V CA -0.292 61.910 62.300 -0.163 0.000 0.842 2095 V CB 1.817 33.606 31.823 -0.056 0.000 0.996 2095 V HN 0.816 nan 8.190 nan 0.000 0.426 2096 S N 2.528 117.835 115.700 -0.655 0.000 2.503 2096 S HA 0.345 4.815 4.470 -0.000 0.000 0.301 2096 S C 0.932 175.133 174.600 -0.664 0.000 1.087 2096 S CA -0.479 57.105 58.200 -1.028 0.000 1.042 2096 S CB 1.822 64.578 63.200 -0.741 0.000 1.043 2096 S HN 0.908 nan 8.310 nan 0.000 0.489 2097 E N 1.915 121.545 120.200 -0.951 0.000 2.219 2097 E HA -0.170 4.180 4.350 -0.000 0.000 0.198 2097 E C 0.580 177.034 176.600 -0.244 0.000 0.998 2097 E CA 1.246 57.268 56.400 -0.630 0.000 0.818 2097 E CB 0.101 29.498 29.700 -0.504 0.000 0.741 2097 E HN 0.620 nan 8.360 nan 0.000 0.477 2098 E N 0.716 120.795 120.200 -0.201 0.000 2.502 2098 E HA 0.038 4.388 4.350 -0.000 0.000 0.194 2098 E C -0.585 175.976 176.600 -0.065 0.000 1.062 2098 E CA 0.447 56.788 56.400 -0.097 0.000 0.867 2098 E CB 0.113 29.788 29.700 -0.043 0.000 0.888 2098 E HN 0.256 nan 8.360 nan 0.000 0.510 2099 D N -0.059 120.312 120.400 -0.047 0.000 2.502 2099 D HA 0.084 4.724 4.640 -0.000 0.000 0.249 2099 D C 0.963 177.327 176.300 0.106 0.000 1.092 2099 D CA -0.383 53.622 54.000 0.008 0.000 0.839 2099 D CB 1.537 42.340 40.800 0.005 0.000 1.264 2099 D HN -0.145 nan 8.370 nan 0.000 0.511 2100 K N 0.980 121.425 120.400 0.075 0.000 2.211 2100 K HA -0.068 4.252 4.320 -0.000 0.000 0.203 2100 K C -0.134 176.605 176.600 0.231 0.000 1.050 2100 K CA 0.697 57.076 56.287 0.154 0.000 0.945 2100 K CB -0.091 32.437 32.500 0.046 0.000 0.732 2100 K HN 0.237 nan 8.250 nan 0.000 0.451 2101 N N 0.243 119.011 118.700 0.112 0.000 2.384 2101 N HA 0.392 5.132 4.740 -0.000 0.000 0.301 2101 N C -1.366 174.155 175.510 0.017 0.000 1.133 2101 N CA -0.659 52.424 53.050 0.055 0.000 0.853 2101 N CB 1.758 40.263 38.487 0.031 0.000 1.241 2101 N HN 0.256 nan 8.380 nan 0.000 0.502 2102 A N 1.020 123.830 122.820 -0.017 0.000 2.483 2102 A HA 0.265 4.585 4.320 -0.000 0.000 0.238 2102 A C -0.340 177.243 177.584 -0.002 0.000 1.070 2102 A CA 0.075 52.097 52.037 -0.025 0.000 0.770 2102 A CB -0.275 18.706 19.000 -0.033 0.000 1.008 2102 A HN 0.542 nan 8.150 nan 0.000 0.497 2103 I N 2.816 123.391 120.570 0.009 0.000 2.325 2103 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 2103 I C -0.185 175.944 176.117 0.020 0.000 1.019 2103 I CA -0.009 61.303 61.300 0.021 0.000 1.302 2103 I CB 1.042 39.068 38.000 0.042 0.000 1.401 2103 I HN 0.315 nan 8.210 nan 0.000 0.485 2104 I N 7.449 128.024 120.570 0.009 0.000 2.304 2104 I HA 0.228 4.398 4.170 -0.000 0.000 0.291 2104 I C 0.217 176.330 176.117 -0.006 0.000 1.018 2104 I CA -0.642 60.659 61.300 0.002 0.000 1.260 2104 I CB 0.875 38.872 38.000 -0.004 0.000 1.390 2104 I HN 0.124 nan 8.210 nan 0.000 0.475 2105 V N 6.658 126.566 119.914 -0.010 0.000 2.740 2105 V HA -0.042 4.078 4.120 -0.000 0.000 0.303 2105 V C 0.696 176.762 176.094 -0.046 0.000 1.054 2105 V CA -0.502 61.777 62.300 -0.035 0.000 1.106 2105 V CB 0.059 31.855 31.823 -0.045 0.000 0.957 2105 V HN 0.683 nan 8.190 nan 0.000 0.486 2106 E N 6.235 126.397 120.200 -0.062 0.000 2.442 2106 E HA 0.062 4.412 4.350 -0.000 0.000 0.262 2106 E C -1.781 174.778 176.600 -0.068 0.000 1.004 2106 E CA -0.993 55.372 56.400 -0.059 0.000 0.928 2106 E CB -0.156 29.505 29.700 -0.064 0.000 0.937 2106 E HN 0.400 nan 8.360 nan 0.000 0.446 2107 P HA -0.274 nan 4.420 nan 0.000 0.216 2107 P C 0.819 178.098 177.300 -0.033 0.000 1.154 2107 P CA 1.669 64.752 63.100 -0.030 0.000 0.865 2107 P CB 0.078 31.770 31.700 -0.014 0.000 0.789 2108 E N 0.375 120.550 120.200 -0.042 0.000 2.268 2108 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 2108 E C 0.965 177.501 176.600 -0.106 0.000 0.995 2108 E CA 0.980 57.371 56.400 -0.016 0.000 0.836 2108 E CB -0.587 29.117 29.700 0.006 0.000 0.763 2108 E HN 0.293 nan 8.360 nan 0.000 0.491 2109 K N 0.783 121.006 120.400 -0.295 0.000 2.455 2109 K HA 0.220 4.540 4.320 -0.000 0.000 0.206 2109 K C 0.099 176.512 176.600 -0.313 0.000 1.027 2109 K CA -0.399 55.476 56.287 -0.687 0.000 1.113 2109 K CB 0.600 32.615 32.500 -0.809 0.000 0.850 2109 K HN -0.066 nan 8.250 nan 0.000 0.503 2110 R N 1.240 121.670 120.500 -0.116 0.000 2.389 2110 R HA 0.188 4.528 4.340 -0.000 0.000 0.295 2110 R C 0.042 176.358 176.300 0.027 0.000 1.075 2110 R CA 0.072 56.150 56.100 -0.038 0.000 1.005 2110 R CB 0.741 31.029 30.300 -0.020 0.000 0.987 2110 R HN 0.253 nan 8.270 nan 0.000 0.452 2111 G N 1.266 110.092 108.800 0.044 0.000 3.140 2111 G HA2 0.166 4.126 3.960 -0.000 0.000 0.271 2111 G HA3 0.166 4.126 3.960 -0.000 0.000 0.271 2111 G C -0.458 174.454 174.900 0.021 0.000 1.370 2111 G CA -0.616 44.531 45.100 0.078 0.000 1.014 2111 G HN 0.649 nan 8.290 nan 0.000 0.541 2112 K N -1.210 119.159 120.400 -0.053 0.000 2.404 2112 K HA 0.216 4.536 4.320 -0.000 0.000 0.194 2112 K C -0.810 175.555 176.600 -0.392 0.000 1.023 2112 K CA -0.042 56.093 56.287 -0.252 0.000 1.094 2112 K CB 0.007 32.274 32.500 -0.389 0.000 0.841 2112 K HN 0.332 nan 8.250 nan 0.000 0.523 2113 Y N 0.717 121.041 120.300 0.040 0.000 2.387 2113 Y HA 0.331 4.881 4.550 -0.000 0.000 0.330 2113 Y C -0.110 175.832 175.900 0.072 0.000 1.133 2113 Y CA -1.069 57.063 58.100 0.055 0.000 1.152 2113 Y CB 1.882 40.365 38.460 0.039 0.000 1.215 2113 Y HN -0.293 nan 8.280 nan 0.000 0.466 2114 V N 4.245 124.317 119.914 0.265 0.000 2.370 2114 V HA 0.477 4.597 4.120 -0.000 0.000 0.283 2114 V C -0.681 175.585 176.094 0.287 0.000 1.023 2114 V CA -0.814 61.623 62.300 0.230 0.000 0.857 2114 V CB 1.313 33.253 31.823 0.196 0.000 0.985 2114 V HN 0.501 nan 8.190 nan 0.000 0.443 2115 V N 3.831 123.900 119.914 0.258 0.000 2.487 2115 V HA 0.409 4.529 4.120 -0.000 0.000 0.298 2115 V C -0.289 176.017 176.094 0.354 0.000 1.028 2115 V CA -0.500 61.977 62.300 0.295 0.000 0.860 2115 V CB 1.845 33.816 31.823 0.248 0.000 0.991 2115 V HN 0.954 nan 8.190 nan 0.000 0.427 2116 C N 6.407 125.922 119.300 0.357 0.000 2.281 2116 C HA 0.864 5.324 4.460 -0.000 0.000 0.325 2116 C C -0.236 174.984 174.990 0.384 0.000 1.282 2116 C CA -0.815 58.384 59.018 0.302 0.000 1.640 2116 C CB -0.672 27.269 27.740 0.335 0.000 2.288 2116 C HN 0.830 nan 8.230 nan 0.000 0.507 2117 F N 0.407 120.446 119.950 0.149 0.000 2.645 2117 F HA 0.654 5.181 4.527 -0.000 0.000 0.310 2117 F C -0.978 174.812 175.800 -0.017 0.000 1.102 2117 F CA -1.085 56.998 58.000 0.138 0.000 0.952 2117 F CB 1.069 40.145 39.000 0.127 0.000 1.326 2117 F HN 0.299 nan 8.300 nan 0.000 0.456 2118 D N 3.520 124.059 120.400 0.231 0.000 2.460 2118 D HA 0.377 5.017 4.640 -0.000 0.000 0.232 2118 D C -1.845 174.622 176.300 0.278 0.000 1.079 2118 D CA -2.622 51.448 54.000 0.118 0.000 0.864 2118 D CB 1.861 42.774 40.800 0.187 0.000 1.048 2118 D HN 0.281 nan 8.370 nan 0.000 0.523 2119 P HA -0.026 nan 4.420 nan 0.000 0.220 2119 P C 0.135 177.573 177.300 0.229 0.000 1.148 2119 P CA 0.261 63.553 63.100 0.321 0.000 0.803 2119 P CB 0.740 32.620 31.700 0.300 0.000 0.782 2120 L N -0.208 121.125 121.223 0.183 0.000 2.611 2120 L HA 0.449 4.789 4.340 -0.000 0.000 0.263 2120 L C -1.581 175.370 176.870 0.135 0.000 0.969 2120 L CA -0.791 54.155 54.840 0.175 0.000 0.894 2120 L CB 1.654 43.793 42.059 0.134 0.000 1.229 2120 L HN -0.315 nan 8.230 nan 0.000 0.416 2121 D N 2.716 123.192 120.400 0.127 0.000 2.252 2121 D HA 0.758 5.398 4.640 -0.000 0.000 0.245 2121 D C 0.647 176.987 176.300 0.068 0.000 1.009 2121 D CA 0.726 54.780 54.000 0.090 0.000 0.870 2121 D CB 1.815 42.663 40.800 0.080 0.000 1.251 2121 D HN 0.851 nan 8.370 nan 0.000 0.460 2122 G N 1.502 110.339 108.800 0.061 0.000 2.173 2122 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.174 2122 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.174 2122 G C 0.976 175.911 174.900 0.059 0.000 1.025 2122 G CA 0.466 45.596 45.100 0.049 0.000 0.706 2122 G HN 0.649 nan 8.290 nan 0.000 0.499 2123 S N 0.011 115.750 115.700 0.065 0.000 2.407 2123 S HA -0.211 4.259 4.470 -0.000 0.000 0.235 2123 S C 2.623 177.259 174.600 0.059 0.000 1.036 2123 S CA 2.282 60.519 58.200 0.061 0.000 1.013 2123 S CB -0.568 62.666 63.200 0.058 0.000 0.820 2123 S HN 1.919 nan 8.310 nan 0.000 0.476 2124 S N 1.989 117.729 115.700 0.067 0.000 2.474 2124 S HA 0.044 4.514 4.470 -0.000 0.000 0.235 2124 S C 1.416 176.049 174.600 0.056 0.000 0.997 2124 S CA 0.670 58.910 58.200 0.067 0.000 0.949 2124 S CB -0.480 62.772 63.200 0.087 0.000 0.766 2124 S HN 0.507 nan 8.310 nan 0.000 0.517 2125 N N 0.799 119.529 118.700 0.050 0.000 2.280 2125 N HA 0.287 5.027 4.740 -0.000 0.000 0.192 2125 N C 1.057 176.592 175.510 0.042 0.000 1.109 2125 N CA 0.011 53.085 53.050 0.041 0.000 0.855 2125 N CB 0.062 38.566 38.487 0.029 0.000 0.974 2125 N HN 0.357 nan 8.380 nan 0.000 0.482 2126 I N 1.119 121.717 120.570 0.046 0.000 2.163 2126 I HA -0.173 3.997 4.170 -0.000 0.000 0.240 2126 I C 1.230 177.371 176.117 0.039 0.000 1.081 2126 I CA 1.322 62.649 61.300 0.045 0.000 1.353 2126 I CB -0.683 37.344 38.000 0.046 0.000 1.054 2126 I HN -0.027 nan 8.210 nan 0.000 0.407 2127 D N 0.367 120.790 120.400 0.038 0.000 2.312 2127 D HA -0.093 4.547 4.640 -0.000 0.000 0.211 2127 D C 1.809 178.129 176.300 0.033 0.000 0.964 2127 D CA 0.793 54.815 54.000 0.036 0.000 0.877 2127 D CB -0.097 40.725 40.800 0.036 0.000 0.924 2127 D HN 0.499 nan 8.370 nan 0.000 0.515 2128 C N -0.539 118.780 119.300 0.032 0.000 2.688 2128 C HA 0.451 4.911 4.460 -0.000 0.000 0.297 2128 C C 1.314 176.320 174.990 0.026 0.000 1.308 2128 C CA -0.640 58.395 59.018 0.028 0.000 1.726 2128 C CB -1.443 26.314 27.740 0.028 0.000 1.982 2128 C HN 0.321 nan 8.230 nan 0.000 0.604 2129 L N -0.796 120.444 121.223 0.029 0.000 4.232 2129 L HA -0.161 4.179 4.340 -0.000 0.000 0.415 2129 L C 0.466 177.354 176.870 0.030 0.000 1.168 2129 L CA -0.028 54.829 54.840 0.029 0.000 0.966 2129 L CB -2.253 39.819 42.059 0.022 0.000 2.052 2129 L HN 0.436 nan 8.230 nan 0.000 0.887 2130 V N 0.050 119.982 119.914 0.029 0.000 3.003 2130 V HA 0.180 4.300 4.120 -0.000 0.000 0.305 2130 V C 1.306 177.418 176.094 0.031 0.000 1.078 2130 V CA 0.112 62.426 62.300 0.024 0.000 1.083 2130 V CB 1.808 33.640 31.823 0.016 0.000 1.039 2130 V HN 0.346 nan 8.190 nan 0.000 0.481 2131 S N 3.737 119.451 115.700 0.023 0.000 2.573 2131 S HA 0.175 4.645 4.470 -0.000 0.000 0.297 2131 S C -0.210 174.407 174.600 0.029 0.000 1.280 2131 S CA 0.155 58.371 58.200 0.028 0.000 1.061 2131 S CB -0.337 62.857 63.200 -0.010 0.000 0.812 2131 S HN 0.550 nan 8.310 nan 0.000 0.500 2132 I N -0.742 119.875 120.570 0.080 0.000 3.264 2132 I HA 1.066 5.236 4.170 -0.000 0.000 0.315 2132 I C 0.183 176.362 176.117 0.104 0.000 1.154 2132 I CA -0.836 60.526 61.300 0.102 0.000 0.962 2132 I CB 1.726 39.817 38.000 0.151 0.000 1.265 2132 I HN 0.658 nan 8.210 nan 0.000 0.463 2133 G N -0.342 108.514 108.800 0.094 0.000 2.550 2133 G HA2 0.626 4.586 3.960 -0.000 0.000 0.293 2133 G HA3 0.626 4.586 3.960 -0.000 0.000 0.293 2133 G C -1.788 173.159 174.900 0.078 0.000 1.402 2133 G CA -0.643 44.393 45.100 -0.106 0.000 0.784 2133 G HN 0.688 nan 8.290 nan 0.000 0.482 2134 T N 0.937 115.518 114.554 0.044 0.000 2.841 2134 T HA 0.621 4.971 4.350 -0.000 0.000 0.283 2134 T C -0.520 174.321 174.700 0.234 0.000 1.000 2134 T CA -0.346 61.881 62.100 0.212 0.000 0.977 2134 T CB 1.170 70.212 68.868 0.289 0.000 0.979 2134 T HN 0.381 nan 8.240 nan 0.000 0.446 2135 I N 4.249 124.977 120.570 0.263 0.000 2.569 2135 I HA 0.658 4.827 4.170 -0.000 0.000 0.296 2135 I C -0.603 175.709 176.117 0.325 0.000 1.028 2135 I CA -1.457 59.971 61.300 0.212 0.000 1.082 2135 I CB 1.335 39.423 38.000 0.146 0.000 1.264 2135 I HN 0.693 nan 8.210 nan 0.000 0.429 2136 F N 1.757 121.800 119.950 0.154 0.000 2.631 2136 F HA 0.916 5.443 4.527 -0.000 0.000 0.308 2136 F C -0.281 175.559 175.800 0.065 0.000 1.097 2136 F CA -0.972 57.114 58.000 0.144 0.000 0.952 2136 F CB 1.919 40.963 39.000 0.073 0.000 1.307 2136 F HN 0.514 nan 8.300 nan 0.000 0.450 2137 G N 2.016 110.959 108.800 0.238 0.000 2.662 2137 G HA2 0.688 4.648 3.960 -0.000 0.000 0.302 2137 G HA3 0.688 4.648 3.960 -0.000 0.000 0.302 2137 G C -2.231 172.642 174.900 -0.045 0.000 1.389 2137 G CA -0.896 44.190 45.100 -0.022 0.000 0.998 2137 G HN 0.559 nan 8.290 nan 0.000 0.502 2138 I N 1.301 121.736 120.570 -0.226 0.000 2.436 2138 I HA 0.479 4.649 4.170 -0.000 0.000 0.289 2138 I C -1.036 174.908 176.117 -0.288 0.000 1.010 2138 I CA -0.975 60.252 61.300 -0.122 0.000 1.098 2138 I CB 1.680 39.661 38.000 -0.033 0.000 1.266 2138 I HN 0.414 nan 8.210 nan 0.000 0.434 2139 Y N 3.971 124.349 120.300 0.131 0.000 2.468 2139 Y HA 0.603 5.153 4.550 -0.000 0.000 0.342 2139 Y C 0.409 176.412 175.900 0.172 0.000 1.021 2139 Y CA -0.850 57.317 58.100 0.111 0.000 1.079 2139 Y CB 1.477 39.972 38.460 0.058 0.000 1.226 2139 Y HN 0.389 nan 8.280 nan 0.000 0.460 2140 R N 2.391 123.041 120.500 0.250 0.000 2.357 2140 R HA 0.220 4.560 4.340 -0.000 0.000 0.296 2140 R C -0.399 175.890 176.300 -0.018 0.000 1.052 2140 R CA -0.752 55.346 56.100 -0.003 0.000 0.988 2140 R CB 0.662 30.948 30.300 -0.024 0.000 1.025 2140 R HN 0.721 nan 8.270 nan 0.000 0.469 2141 K N 3.117 123.451 120.400 -0.109 0.000 2.436 2141 K HA -0.070 4.250 4.320 -0.000 0.000 0.282 2141 K C -0.387 176.179 176.600 -0.056 0.000 1.044 2141 K CA 0.331 56.580 56.287 -0.063 0.000 1.028 2141 K CB 0.331 32.785 32.500 -0.077 0.000 0.919 2141 K HN 0.461 nan 8.250 nan 0.000 0.474 2142 N N 2.118 120.798 118.700 -0.034 0.000 2.920 2142 N HA 0.106 4.846 4.740 -0.000 0.000 0.310 2142 N C -1.653 173.840 175.510 -0.028 0.000 1.384 2142 N CA -0.116 52.918 53.050 -0.026 0.000 1.083 2142 N CB 0.724 39.203 38.487 -0.012 0.000 1.389 2142 N HN 0.486 nan 8.380 nan 0.000 0.521 2143 S N -1.974 113.706 115.700 -0.032 0.000 2.615 2143 S HA 0.311 4.781 4.470 -0.000 0.000 0.268 2143 S C 0.048 174.631 174.600 -0.028 0.000 1.146 2143 S CA -0.545 57.638 58.200 -0.028 0.000 0.818 2143 S CB 0.262 63.444 63.200 -0.029 0.000 1.111 2143 S HN 0.218 nan 8.310 nan 0.000 0.465 2144 T N -0.424 114.117 114.554 -0.022 0.000 3.084 2144 T HA 0.336 4.686 4.350 -0.000 0.000 0.270 2144 T C -0.342 174.348 174.700 -0.018 0.000 1.008 2144 T CA -0.306 61.781 62.100 -0.020 0.000 0.900 2144 T CB -0.392 68.467 68.868 -0.016 0.000 1.084 2144 T HN 0.487 nan 8.240 nan 0.000 0.538 2145 D N 2.173 122.562 120.400 -0.019 0.000 2.360 2145 D HA 0.219 4.859 4.640 -0.000 0.000 0.242 2145 D C 0.471 176.761 176.300 -0.017 0.000 1.184 2145 D CA -0.409 53.581 54.000 -0.017 0.000 0.930 2145 D CB 0.450 41.239 40.800 -0.018 0.000 1.161 2145 D HN 0.002 nan 8.370 nan 0.000 0.447 2146 E N 1.550 121.741 120.200 -0.015 0.000 2.608 2146 E HA 0.009 4.359 4.350 -0.000 0.000 0.259 2146 E C -1.986 174.604 176.600 -0.016 0.000 0.951 2146 E CA -0.932 55.460 56.400 -0.014 0.000 0.945 2146 E CB -0.131 29.561 29.700 -0.012 0.000 0.916 2146 E HN 0.216 nan 8.360 nan 0.000 0.477 2147 P HA -0.057 nan 4.420 nan 0.000 0.264 2147 P C -0.471 176.820 177.300 -0.015 0.000 1.183 2147 P CA 0.300 63.390 63.100 -0.016 0.000 0.763 2147 P CB 0.621 32.313 31.700 -0.012 0.000 0.807 2148 S N -0.036 115.654 115.700 -0.017 0.000 2.636 2148 S HA 0.175 4.645 4.470 -0.000 0.000 0.268 2148 S C 0.953 175.538 174.600 -0.024 0.000 1.159 2148 S CA -0.740 57.450 58.200 -0.018 0.000 0.815 2148 S CB 1.251 64.440 63.200 -0.019 0.000 1.130 2148 S HN 0.383 nan 8.310 nan 0.000 0.471 2149 E N 1.094 121.278 120.200 -0.026 0.000 2.187 2149 E HA -0.260 4.090 4.350 -0.000 0.000 0.199 2149 E C 1.870 178.439 176.600 -0.051 0.000 1.004 2149 E CA 1.813 58.190 56.400 -0.038 0.000 0.813 2149 E CB -0.230 29.447 29.700 -0.039 0.000 0.736 2149 E HN 0.651 nan 8.360 nan 0.000 0.468 2150 K N 0.328 120.700 120.400 -0.047 0.000 2.280 2150 K HA -0.186 4.134 4.320 -0.000 0.000 0.202 2150 K C 1.021 177.578 176.600 -0.072 0.000 1.047 2150 K CA 1.716 57.968 56.287 -0.057 0.000 0.942 2150 K CB 0.058 32.531 32.500 -0.045 0.000 0.739 2150 K HN 0.071 nan 8.250 nan 0.000 0.457 2151 D N 0.957 121.320 120.400 -0.062 0.000 2.312 2151 D HA -0.048 4.591 4.640 -0.000 0.000 0.211 2151 D C 1.588 177.822 176.300 -0.111 0.000 0.964 2151 D CA 1.046 55.003 54.000 -0.071 0.000 0.877 2151 D CB 0.281 41.057 40.800 -0.040 0.000 0.924 2151 D HN 0.483 nan 8.370 nan 0.000 0.515 2152 A N 0.299 123.053 122.820 -0.110 0.000 2.132 2152 A HA 0.079 4.398 4.320 -0.000 0.000 0.213 2152 A C 1.480 178.917 177.584 -0.246 0.000 1.154 2152 A CA -0.019 51.927 52.037 -0.152 0.000 0.753 2152 A CB -0.148 18.810 19.000 -0.070 0.000 0.826 2152 A HN 0.142 nan 8.150 nan 0.000 0.469 2153 L N 1.522 122.629 121.223 -0.192 0.000 2.583 2153 L HA 0.161 4.501 4.340 -0.000 0.000 0.239 2153 L C -0.253 176.489 176.870 -0.213 0.000 1.347 2153 L CA -0.109 54.624 54.840 -0.178 0.000 1.246 2153 L CB -0.465 41.526 42.059 -0.113 0.000 1.496 2153 L HN 0.435 nan 8.230 nan 0.000 0.413 2154 Q N 1.792 121.373 119.800 -0.365 0.000 2.301 2154 Q HA 0.493 4.832 4.340 -0.000 0.000 0.267 2154 Q C -2.337 173.530 176.000 -0.223 0.000 1.035 2154 Q CA -2.120 53.482 55.803 -0.336 0.000 0.856 2154 Q CB 1.979 30.419 28.738 -0.498 0.000 1.337 2154 Q HN 0.090 nan 8.270 nan 0.000 0.450 2155 P HA -0.025 nan 4.420 nan 0.000 0.274 2155 P C 0.318 177.719 177.300 0.167 0.000 1.231 2155 P CA 0.076 63.196 63.100 0.034 0.000 0.790 2155 P CB 0.768 32.489 31.700 0.035 0.000 0.951 2156 G N 2.454 111.369 108.800 0.191 0.000 2.485 2156 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.221 2156 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.221 2156 G C 1.645 176.683 174.900 0.229 0.000 1.115 2156 G CA 0.438 45.686 45.100 0.248 0.000 0.751 2156 G HN 0.411 nan 8.290 nan 0.000 0.567 2157 R N 0.894 121.508 120.500 0.189 0.000 2.185 2157 R HA -0.059 4.281 4.340 -0.000 0.000 0.247 2157 R C 1.937 178.350 176.300 0.189 0.000 1.159 2157 R CA 1.552 57.759 56.100 0.178 0.000 0.988 2157 R CB -0.664 29.707 30.300 0.118 0.000 0.871 2157 R HN 0.541 nan 8.270 nan 0.000 0.458 2158 N N -0.600 118.235 118.700 0.225 0.000 2.398 2158 N HA 0.037 4.777 4.740 -0.000 0.000 0.188 2158 N C -0.468 175.162 175.510 0.200 0.000 1.122 2158 N CA -0.344 52.848 53.050 0.237 0.000 0.866 2158 N CB 0.185 38.833 38.487 0.268 0.000 0.970 2158 N HN 0.111 nan 8.380 nan 0.000 0.462 2159 L N 1.023 122.237 121.223 -0.014 0.000 2.485 2159 L HA -0.028 4.312 4.340 -0.000 0.000 0.275 2159 L C 1.383 178.065 176.870 -0.313 0.000 1.207 2159 L CA -0.179 54.368 54.840 -0.488 0.000 0.855 2159 L CB 1.107 42.640 42.059 -0.877 0.000 1.114 2159 L HN -0.040 nan 8.230 nan 0.000 0.485 2160 V N 2.149 121.903 119.914 -0.267 0.000 3.307 2160 V HA 0.288 4.408 4.120 -0.000 0.000 0.253 2160 V C 0.558 176.583 176.094 -0.115 0.000 1.149 2160 V CA 0.944 63.194 62.300 -0.083 0.000 1.112 2160 V CB 0.326 32.175 31.823 0.043 0.000 0.777 2160 V HN 0.842 nan 8.190 nan 0.000 0.464 2161 A N -0.677 121.983 122.820 -0.267 0.000 2.594 2161 A HA 0.912 5.232 4.320 -0.000 0.000 0.296 2161 A C -0.955 176.471 177.584 -0.263 0.000 1.061 2161 A CA 0.199 52.140 52.037 -0.159 0.000 0.689 2161 A CB 1.532 20.534 19.000 0.003 0.000 1.280 2161 A HN 0.745 nan 8.150 nan 0.000 0.406 2162 A N -0.114 122.597 122.820 -0.181 0.000 2.599 2162 A HA 1.064 5.384 4.320 -0.000 0.000 0.290 2162 A C 0.005 177.301 177.584 -0.479 0.000 1.101 2162 A CA 0.168 52.011 52.037 -0.323 0.000 0.674 2162 A CB 0.888 19.681 19.000 -0.344 0.000 1.277 2162 A HN 2.817 nan 8.150 nan 0.000 0.419 2163 G N -1.416 106.730 108.800 -1.089 0.000 2.360 2163 G HA2 0.663 4.623 3.960 -0.000 0.000 0.276 2163 G HA3 0.663 4.623 3.960 -0.000 0.000 0.276 2163 G C -1.450 172.920 174.900 -0.883 0.000 1.256 2163 G CA 0.512 45.106 45.100 -0.842 0.000 0.890 2163 G HN 2.289 nan 8.290 nan 0.000 0.486 2164 Y N -2.445 117.603 120.300 -0.420 0.000 2.656 2164 Y HA 0.849 5.399 4.550 -0.000 0.000 0.334 2164 Y C -0.295 175.582 175.900 -0.038 0.000 1.179 2164 Y CA -1.313 56.687 58.100 -0.167 0.000 1.050 2164 Y CB 1.139 39.502 38.460 -0.162 0.000 1.308 2164 Y HN 1.437 nan 8.280 nan 0.000 0.456 2165 A N 1.964 124.859 122.820 0.124 0.000 2.318 2165 A HA 0.687 5.007 4.320 -0.000 0.000 0.324 2165 A C -1.827 175.569 177.584 -0.313 0.000 1.170 2165 A CA -0.695 51.282 52.037 -0.099 0.000 0.810 2165 A CB 1.188 20.119 19.000 -0.116 0.000 1.198 2165 A HN 0.838 nan 8.150 nan 0.000 0.484 2166 L N 3.305 124.362 121.223 -0.275 0.000 2.255 2166 L HA 0.533 4.873 4.340 -0.000 0.000 0.289 2166 L C -1.426 175.224 176.870 -0.367 0.000 1.046 2166 L CA -0.308 54.335 54.840 -0.329 0.000 0.816 2166 L CB 0.085 42.000 42.059 -0.240 0.000 1.197 2166 L HN 0.555 nan 8.230 nan 0.000 0.427 2167 Y N 5.417 125.736 120.300 0.032 0.000 2.714 2167 Y HA 0.605 5.155 4.550 -0.000 0.000 0.333 2167 Y C 0.990 176.893 175.900 0.005 0.000 1.220 2167 Y CA -0.201 57.914 58.100 0.025 0.000 1.513 2167 Y CB 0.042 38.522 38.460 0.033 0.000 1.435 2167 Y HN 0.701 nan 8.280 nan 0.000 0.489 2168 G N 0.410 109.256 108.800 0.076 0.000 3.194 2168 G HA2 0.178 4.138 3.960 -0.000 0.000 0.160 2168 G HA3 0.178 4.138 3.960 -0.000 0.000 0.160 2168 G C 1.059 175.986 174.900 0.045 0.000 1.267 2168 G CA -0.040 45.083 45.100 0.038 0.000 0.962 2168 G HN 0.402 nan 8.290 nan 0.000 0.612 2169 S N -0.491 115.226 115.700 0.029 0.000 2.383 2169 S HA 0.262 4.732 4.470 -0.000 0.000 0.229 2169 S C 1.075 175.694 174.600 0.032 0.000 1.030 2169 S CA 1.430 59.647 58.200 0.029 0.000 1.002 2169 S CB -0.381 62.835 63.200 0.026 0.000 0.829 2169 S HN 1.338 nan 8.310 nan 0.000 0.467 2170 A N 0.098 122.937 122.820 0.032 0.000 2.486 2170 A HA 0.723 5.043 4.320 -0.000 0.000 0.289 2170 A C -0.447 177.169 177.584 0.052 0.000 1.176 2170 A CA -0.702 51.357 52.037 0.037 0.000 0.757 2170 A CB 1.151 20.167 19.000 0.027 0.000 1.337 2170 A HN 0.185 nan 8.150 nan 0.000 0.423 2171 T N 1.576 116.174 114.554 0.073 0.000 2.795 2171 T HA 0.571 4.921 4.350 -0.000 0.000 0.282 2171 T C -0.394 174.379 174.700 0.122 0.000 0.980 2171 T CA 0.092 62.269 62.100 0.127 0.000 1.012 2171 T CB 0.432 69.432 68.868 0.220 0.000 0.936 2171 T HN 0.592 nan 8.240 nan 0.000 0.457 2172 M N 4.449 124.098 119.600 0.081 0.000 2.393 2172 M HA 0.600 5.080 4.480 -0.000 0.000 0.299 2172 M C -1.941 174.396 176.300 0.061 0.000 1.103 2172 M CA -0.947 54.408 55.300 0.093 0.000 0.910 2172 M CB 1.780 34.346 32.600 -0.057 0.000 1.659 2172 M HN 0.516 nan 8.290 nan 0.000 0.445 2173 L N 5.482 126.762 121.223 0.095 0.000 2.296 2173 L HA 0.661 5.001 4.340 -0.000 0.000 0.286 2173 L C -1.480 175.329 176.870 -0.102 0.000 1.023 2173 L CA -0.694 54.073 54.840 -0.121 0.000 0.812 2173 L CB 1.628 43.385 42.059 -0.504 0.000 1.223 2173 L HN 0.555 nan 8.230 nan 0.000 0.421 2174 V N 6.032 125.738 119.914 -0.347 0.000 2.370 2174 V HA 0.395 4.515 4.120 -0.000 0.000 0.283 2174 V C -0.440 175.468 176.094 -0.310 0.000 1.023 2174 V CA -0.549 61.504 62.300 -0.413 0.000 0.857 2174 V CB 1.590 32.902 31.823 -0.852 0.000 0.985 2174 V HN 0.525 nan 8.190 nan 0.000 0.443 2175 L N 5.379 126.564 121.223 -0.064 0.000 2.349 2175 L HA 0.927 5.267 4.340 -0.000 0.000 0.278 2175 L C -0.036 176.873 176.870 0.065 0.000 0.996 2175 L CA -0.267 54.599 54.840 0.044 0.000 0.825 2175 L CB 1.472 43.618 42.059 0.144 0.000 1.243 2175 L HN 0.697 nan 8.230 nan 0.000 0.412 2176 A N 6.453 129.326 122.820 0.090 0.000 2.330 2176 A HA 0.922 5.242 4.320 -0.000 0.000 0.327 2176 A C -0.611 177.167 177.584 0.322 0.000 1.155 2176 A CA -0.546 51.596 52.037 0.175 0.000 0.803 2176 A CB 0.949 20.064 19.000 0.191 0.000 1.208 2176 A HN 0.827 nan 8.150 nan 0.000 0.477 2177 M N 1.356 121.123 119.600 0.279 0.000 3.053 2177 M HA 0.277 4.757 4.480 -0.000 0.000 0.281 2177 M C 1.068 177.506 176.300 0.230 0.000 1.304 2177 M CA -0.681 54.797 55.300 0.295 0.000 0.767 2177 M CB 1.453 34.173 32.600 0.201 0.000 1.730 2177 M HN 0.409 nan 8.290 nan 0.000 0.437 2178 V N 1.821 121.854 119.914 0.199 0.000 2.380 2178 V HA -0.295 3.825 4.120 -0.000 0.000 0.251 2178 V C 1.657 177.789 176.094 0.064 0.000 1.063 2178 V CA 2.913 65.291 62.300 0.129 0.000 1.055 2178 V CB -0.637 31.250 31.823 0.107 0.000 0.657 2178 V HN 0.907 nan 8.190 nan 0.000 0.455 2179 N N 0.028 118.772 118.700 0.074 0.000 2.446 2179 N HA 0.313 5.052 4.740 -0.000 0.000 0.179 2179 N C 0.657 176.195 175.510 0.047 0.000 1.054 2179 N CA 1.057 54.140 53.050 0.056 0.000 0.905 2179 N CB 0.252 38.779 38.487 0.067 0.000 0.973 2179 N HN 0.674 nan 8.380 nan 0.000 0.448 2180 G N -1.301 107.529 108.800 0.050 0.000 2.356 2180 G HA2 0.259 4.219 3.960 -0.000 0.000 0.288 2180 G HA3 0.259 4.219 3.960 -0.000 0.000 0.288 2180 G C -2.131 172.787 174.900 0.030 0.000 1.302 2180 G CA -0.541 44.570 45.100 0.018 0.000 0.887 2180 G HN 0.005 nan 8.290 nan 0.000 0.521 2181 V N 0.767 120.677 119.914 -0.007 0.000 2.459 2181 V HA 0.654 4.774 4.120 -0.000 0.000 0.295 2181 V C -0.154 175.895 176.094 -0.075 0.000 1.029 2181 V CA -0.784 61.501 62.300 -0.025 0.000 0.874 2181 V CB 1.520 33.315 31.823 -0.046 0.000 0.985 2181 V HN 0.705 nan 8.190 nan 0.000 0.438 2182 N N 1.895 120.522 118.700 -0.122 0.000 2.240 2182 N HA 0.651 5.391 4.740 -0.000 0.000 0.302 2182 N C -1.338 173.922 175.510 -0.418 0.000 1.106 2182 N CA -0.467 52.374 53.050 -0.348 0.000 0.778 2182 N CB 1.889 40.009 38.487 -0.612 0.000 1.431 2182 N HN 0.636 nan 8.380 nan 0.000 0.479 2183 C N 1.723 120.712 119.300 -0.520 0.000 2.322 2183 C HA 0.558 5.018 4.460 -0.000 0.000 0.324 2183 C C -0.963 173.703 174.990 -0.541 0.000 1.284 2183 C CA -0.869 57.936 59.018 -0.354 0.000 1.606 2183 C CB -1.260 26.400 27.740 -0.133 0.000 2.251 2183 C HN 0.580 nan 8.230 nan 0.000 0.502 2184 F N 2.891 122.786 119.950 -0.091 0.000 2.449 2184 F HA 0.525 5.052 4.527 -0.000 0.000 0.342 2184 F C 0.242 176.125 175.800 0.139 0.000 1.127 2184 F CA -0.892 57.110 58.000 0.003 0.000 0.975 2184 F CB 1.120 40.111 39.000 -0.015 0.000 1.146 2184 F HN 0.415 nan 8.300 nan 0.000 0.444 2185 M N 4.477 124.224 119.600 0.245 0.000 2.162 2185 M HA 0.374 4.854 4.480 -0.000 0.000 0.356 2185 M C -0.984 175.412 176.300 0.160 0.000 1.303 2185 M CA -0.697 54.714 55.300 0.184 0.000 1.116 2185 M CB 0.613 33.263 32.600 0.083 0.000 1.632 2185 M HN 0.547 nan 8.290 nan 0.000 0.469 2186 L N 5.541 126.796 121.223 0.053 0.000 2.361 2186 L HA 0.262 4.602 4.340 -0.000 0.000 0.278 2186 L C -0.599 176.176 176.870 -0.159 0.000 1.113 2186 L CA 0.528 55.186 54.840 -0.303 0.000 0.849 2186 L CB 0.200 41.951 42.059 -0.515 0.000 1.155 2186 L HN 0.630 nan 8.230 nan 0.000 0.452 2187 D N 7.544 127.849 120.400 -0.158 0.000 2.411 2187 D HA 0.248 4.888 4.640 -0.000 0.000 0.225 2187 D C -1.828 174.399 176.300 -0.122 0.000 1.156 2187 D CA -1.976 51.966 54.000 -0.097 0.000 0.874 2187 D CB 1.446 42.212 40.800 -0.056 0.000 1.034 2187 D HN 0.411 nan 8.370 nan 0.000 0.502 2188 P HA -0.020 nan 4.420 nan 0.000 0.233 2188 P C 0.974 178.234 177.300 -0.066 0.000 1.167 2188 P CA 0.309 63.353 63.100 -0.093 0.000 0.770 2188 P CB 0.311 31.971 31.700 -0.067 0.000 0.837 2189 A N 0.815 123.604 122.820 -0.051 0.000 1.969 2189 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 2189 A C 2.005 179.567 177.584 -0.038 0.000 1.169 2189 A CA 1.587 53.602 52.037 -0.037 0.000 0.635 2189 A CB -1.126 17.858 19.000 -0.026 0.000 0.810 2189 A HN 0.392 nan 8.150 nan 0.000 0.445 2190 I N -6.058 114.483 120.570 -0.048 0.000 4.240 2190 I HA 0.522 4.692 4.170 -0.000 0.000 0.331 2190 I C 1.015 177.097 176.117 -0.059 0.000 1.381 2190 I CA 0.348 61.623 61.300 -0.042 0.000 1.136 2190 I CB 0.246 38.229 38.000 -0.028 0.000 1.137 2190 I HN 0.304 nan 8.210 nan 0.000 0.411 2191 G N 1.914 110.657 108.800 -0.095 0.000 2.272 2191 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.280 2191 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.280 2191 G C -0.399 174.423 174.900 -0.129 0.000 1.067 2191 G CA 0.450 45.475 45.100 -0.125 0.000 0.902 2191 G HN 0.520 nan 8.290 nan 0.000 0.500 2192 E N -0.905 119.204 120.200 -0.151 0.000 2.224 2192 E HA 0.671 5.021 4.350 -0.000 0.000 0.265 2192 E C -0.235 176.293 176.600 -0.119 0.000 0.878 2192 E CA -0.963 55.390 56.400 -0.077 0.000 0.759 2192 E CB 0.605 30.298 29.700 -0.012 0.000 1.164 2192 E HN 0.113 nan 8.360 nan 0.000 0.414 2193 F N 3.724 123.680 119.950 0.010 0.000 2.427 2193 F HA 0.335 4.862 4.527 -0.000 0.000 0.352 2193 F C 0.352 176.225 175.800 0.122 0.000 1.100 2193 F CA -0.416 57.615 58.000 0.052 0.000 1.191 2193 F CB 0.604 39.605 39.000 0.002 0.000 1.128 2193 F HN 0.239 nan 8.300 nan 0.000 0.533 2194 I N 4.506 125.264 120.570 0.314 0.000 2.404 2194 I HA 0.197 4.367 4.170 -0.000 0.000 0.293 2194 I C -0.465 175.789 176.117 0.228 0.000 0.992 2194 I CA -1.149 60.294 61.300 0.238 0.000 1.149 2194 I CB 1.488 39.557 38.000 0.116 0.000 1.315 2194 I HN 0.351 nan 8.210 nan 0.000 0.446 2195 L N 8.437 129.769 121.223 0.182 0.000 2.500 2195 L HA 0.117 4.457 4.340 -0.000 0.000 0.272 2195 L C 0.777 177.552 176.870 -0.157 0.000 1.149 2195 L CA 0.621 55.352 54.840 -0.182 0.000 0.897 2195 L CB 0.487 42.431 42.059 -0.191 0.000 1.178 2195 L HN 0.512 nan 8.230 nan 0.000 0.473 2196 V N -0.002 119.786 119.914 -0.211 0.000 3.604 2196 V HA 0.492 4.612 4.120 -0.000 0.000 0.277 2196 V C 0.018 176.034 176.094 -0.130 0.000 1.399 2196 V CA 0.127 62.358 62.300 -0.114 0.000 1.034 2196 V CB 0.425 32.218 31.823 -0.051 0.000 0.824 2196 V HN 0.744 nan 8.190 nan 0.000 0.439 2197 D N 0.691 120.967 120.400 -0.207 0.000 2.890 2197 D HA 0.413 5.053 4.640 -0.000 0.000 0.233 2197 D C -0.956 175.214 176.300 -0.216 0.000 1.306 2197 D CA -0.218 53.687 54.000 -0.158 0.000 0.929 2197 D CB 2.377 43.113 40.800 -0.107 0.000 1.512 2197 D HN 0.180 nan 8.370 nan 0.000 0.568 2198 R N 2.372 122.782 120.500 -0.150 0.000 2.460 2198 R HA 0.271 4.611 4.340 -0.000 0.000 0.303 2198 R C -0.572 175.679 176.300 -0.083 0.000 0.968 2198 R CA -0.498 55.520 56.100 -0.136 0.000 0.889 2198 R CB 0.913 31.168 30.300 -0.075 0.000 1.123 2198 R HN 0.465 nan 8.270 nan 0.000 0.455 2199 D N 2.018 122.379 120.400 -0.066 0.000 2.802 2199 D HA -0.152 4.488 4.640 -0.000 0.000 0.229 2199 D C -0.743 175.533 176.300 -0.040 0.000 1.203 2199 D CA 0.537 54.519 54.000 -0.030 0.000 0.712 2199 D CB -0.341 40.458 40.800 -0.002 0.000 0.973 2199 D HN 0.123 nan 8.370 nan 0.000 0.407 2200 V N 2.375 122.255 119.914 -0.057 0.000 2.655 2200 V HA 0.066 4.185 4.120 -0.000 0.000 0.300 2200 V C 0.852 176.924 176.094 -0.037 0.000 1.044 2200 V CA 0.425 62.694 62.300 -0.051 0.000 1.095 2200 V CB 1.452 33.237 31.823 -0.064 0.000 0.952 2200 V HN 0.105 nan 8.190 nan 0.000 0.485 2201 K N 4.784 125.167 120.400 -0.028 0.000 2.426 2201 K HA 0.507 4.827 4.320 -0.000 0.000 0.254 2201 K C -0.463 176.128 176.600 -0.015 0.000 0.936 2201 K CA -0.717 55.558 56.287 -0.020 0.000 0.801 2201 K CB 2.384 34.875 32.500 -0.015 0.000 1.139 2201 K HN 0.622 nan 8.250 nan 0.000 0.424 2202 I N 2.415 122.979 120.570 -0.011 0.000 2.754 2202 I HA -0.036 4.134 4.170 -0.000 0.000 0.285 2202 I C 0.399 176.521 176.117 0.008 0.000 1.166 2202 I CA -0.004 61.295 61.300 -0.000 0.000 1.417 2202 I CB 0.583 38.587 38.000 0.007 0.000 1.382 2202 I HN 0.366 nan 8.210 nan 0.000 0.588 2203 K N 6.629 127.038 120.400 0.014 0.000 2.436 2203 K HA 0.035 4.355 4.320 -0.000 0.000 0.275 2203 K C 0.657 177.271 176.600 0.023 0.000 0.999 2203 K CA -0.639 55.657 56.287 0.014 0.000 0.980 2203 K CB 0.379 32.886 32.500 0.011 0.000 0.919 2203 K HN 0.463 nan 8.250 nan 0.000 0.484 2204 K N 1.658 122.071 120.400 0.022 0.000 2.097 2204 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 2204 K C 0.547 177.176 176.600 0.048 0.000 1.049 2204 K CA 1.360 57.666 56.287 0.031 0.000 0.933 2204 K CB -0.015 32.501 32.500 0.026 0.000 0.717 2204 K HN 0.508 nan 8.250 nan 0.000 0.442 2205 K N -0.120 120.307 120.400 0.046 0.000 2.482 2205 K HA 0.380 4.700 4.320 -0.000 0.000 0.251 2205 K C -0.341 176.279 176.600 0.032 0.000 0.936 2205 K CA -0.439 55.889 56.287 0.069 0.000 0.791 2205 K CB 1.881 34.428 32.500 0.077 0.000 1.213 2205 K HN 0.056 nan 8.250 nan 0.000 0.428 2206 G N 0.117 108.941 108.800 0.040 0.000 2.671 2206 G HA2 0.336 4.295 3.960 -0.000 0.000 0.275 2206 G HA3 0.336 4.295 3.960 -0.000 0.000 0.275 2206 G C -0.153 174.536 174.900 -0.351 0.000 1.368 2206 G CA -0.498 44.565 45.100 -0.061 0.000 1.044 2206 G HN 0.600 nan 8.290 nan 0.000 0.543 2207 S N -1.500 113.914 115.700 -0.476 0.000 3.082 2207 S HA 0.448 4.918 4.470 -0.000 0.000 0.253 2207 S C -0.178 174.061 174.600 -0.602 0.000 0.961 2207 S CA -0.338 57.269 58.200 -0.989 0.000 1.129 2207 S CB -0.322 62.573 63.200 -0.509 0.000 1.083 2207 S HN 0.356 nan 8.310 nan 0.000 0.605 2208 I N 2.584 123.046 120.570 -0.180 0.000 2.533 2208 I HA 0.523 4.693 4.170 -0.000 0.000 0.290 2208 I C -1.175 175.176 176.117 0.389 0.000 1.056 2208 I CA -1.245 60.136 61.300 0.136 0.000 1.057 2208 I CB 2.159 40.215 38.000 0.094 0.000 1.240 2208 I HN 0.426 nan 8.210 nan 0.000 0.423 2209 Y N 3.806 124.291 120.300 0.308 0.000 2.468 2209 Y HA 0.798 5.347 4.550 -0.000 0.000 0.342 2209 Y C -0.549 175.481 175.900 0.217 0.000 1.021 2209 Y CA -1.260 57.007 58.100 0.277 0.000 1.079 2209 Y CB 1.840 40.433 38.460 0.221 0.000 1.226 2209 Y HN 0.405 nan 8.280 nan 0.000 0.460 2210 S N 5.853 121.693 115.700 0.234 0.000 2.779 2210 S HA 0.751 5.221 4.470 -0.000 0.000 0.293 2210 S C -1.506 173.204 174.600 0.183 0.000 1.150 2210 S CA -0.483 57.850 58.200 0.222 0.000 1.057 2210 S CB 0.107 63.554 63.200 0.413 0.000 1.021 2210 S HN 0.899 nan 8.310 nan 0.000 0.485 2211 I N 3.592 124.165 120.570 0.005 0.000 2.947 2211 I HA 0.418 4.588 4.170 -0.000 0.000 0.301 2211 I C -1.531 174.065 176.117 -0.869 0.000 1.453 2211 I CA -0.711 60.385 61.300 -0.340 0.000 0.984 2211 I CB 1.840 39.748 38.000 -0.154 0.000 1.333 2211 I HN 0.591 nan 8.210 nan 0.000 0.475 2212 N N 4.275 122.330 118.700 -1.075 0.000 2.415 2212 N HA 0.151 4.891 4.740 -0.000 0.000 0.250 2212 N C 0.228 175.587 175.510 -0.250 0.000 1.127 2212 N CA 0.310 52.865 53.050 -0.826 0.000 0.945 2212 N CB 0.659 38.773 38.487 -0.621 0.000 1.196 2212 N HN 0.570 nan 8.380 nan 0.000 0.499 2213 E N 1.624 121.730 120.200 -0.157 0.000 2.481 2213 E HA -0.010 4.340 4.350 -0.000 0.000 0.195 2213 E C 1.461 177.965 176.600 -0.159 0.000 1.047 2213 E CA 0.082 56.498 56.400 0.026 0.000 0.867 2213 E CB 0.186 29.940 29.700 0.089 0.000 0.858 2213 E HN 0.730 nan 8.360 nan 0.000 0.513 2214 G N 0.556 109.174 108.800 -0.304 0.000 2.479 2214 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 2214 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 2214 G C 0.949 175.576 174.900 -0.456 0.000 1.115 2214 G CA 0.487 45.358 45.100 -0.381 0.000 0.757 2214 G HN 0.352 nan 8.290 nan 0.000 0.560 2215 Y N 0.526 120.582 120.300 -0.408 0.000 2.470 2215 Y HA 0.383 4.933 4.550 -0.000 0.000 0.284 2215 Y C 2.597 177.836 175.900 -1.102 0.000 1.188 2215 Y CA -0.385 57.337 58.100 -0.630 0.000 1.269 2215 Y CB 0.237 38.337 38.460 -0.601 0.000 1.094 2215 Y HN 0.233 nan 8.280 nan 0.000 0.518 2216 A N 1.614 124.003 122.820 -0.717 0.000 1.940 2216 A HA -0.327 3.993 4.320 -0.000 0.000 0.221 2216 A C 2.267 179.655 177.584 -0.325 0.000 1.190 2216 A CA 2.375 54.102 52.037 -0.517 0.000 0.647 2216 A CB -0.509 18.409 19.000 -0.138 0.000 0.821 2216 A HN 0.629 nan 8.150 nan 0.000 0.457 2217 K N -0.525 119.737 120.400 -0.231 0.000 2.439 2217 K HA -0.032 4.288 4.320 -0.000 0.000 0.197 2217 K C 0.828 177.370 176.600 -0.096 0.000 1.041 2217 K CA 1.519 57.740 56.287 -0.111 0.000 0.970 2217 K CB -0.092 32.364 32.500 -0.072 0.000 0.773 2217 K HN 0.560 nan 8.250 nan 0.000 0.479 2218 E N 0.037 120.131 120.200 -0.177 0.000 2.526 2218 E HA 0.150 4.500 4.350 -0.000 0.000 0.208 2218 E C -0.695 175.923 176.600 0.030 0.000 0.997 2218 E CA -0.556 55.799 56.400 -0.075 0.000 0.961 2218 E CB 0.249 29.901 29.700 -0.080 0.000 1.030 2218 E HN 0.063 nan 8.360 nan 0.000 0.483 2219 F N 2.788 122.747 119.950 0.015 0.000 2.459 2219 F HA 0.076 4.603 4.527 -0.000 0.000 0.346 2219 F C 1.075 176.867 175.800 -0.013 0.000 1.128 2219 F CA -1.840 56.158 58.000 -0.003 0.000 1.268 2219 F CB 0.169 39.162 39.000 -0.011 0.000 1.161 2219 F HN -0.024 nan 8.300 nan 0.000 0.583 2220 D N 2.495 123.005 120.400 0.184 0.000 2.360 2220 D HA 0.175 4.815 4.640 -0.000 0.000 0.242 2220 D C -2.271 174.009 176.300 -0.034 0.000 1.184 2220 D CA -1.604 52.433 54.000 0.061 0.000 0.930 2220 D CB 0.249 41.085 40.800 0.061 0.000 1.161 2220 D HN 0.150 nan 8.370 nan 0.000 0.447 2221 P HA -0.031 nan 4.420 nan 0.000 0.222 2221 P C 0.829 177.913 177.300 -0.359 0.000 1.147 2221 P CA 1.604 64.660 63.100 -0.074 0.000 0.790 2221 P CB 0.061 31.840 31.700 0.133 0.000 0.780 2222 A N -0.560 121.854 122.820 -0.675 0.000 1.903 2222 A HA -0.077 4.243 4.320 -0.000 0.000 0.213 2222 A C 2.029 179.268 177.584 -0.575 0.000 1.185 2222 A CA 0.918 52.394 52.037 -0.935 0.000 0.628 2222 A CB -1.206 16.845 19.000 -1.580 0.000 0.830 2222 A HN -0.014 nan 8.150 nan 0.000 0.446 2223 I N 0.585 120.863 120.570 -0.488 0.000 2.208 2223 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 2223 I C 2.486 178.472 176.117 -0.218 0.000 1.097 2223 I CA 1.965 63.055 61.300 -0.350 0.000 1.363 2223 I CB -1.931 35.776 38.000 -0.488 0.000 1.051 2223 I HN 0.233 nan 8.210 nan 0.000 0.413 2224 T N 0.284 114.758 114.554 -0.134 0.000 2.652 2224 T HA -0.246 4.104 4.350 -0.000 0.000 0.267 2224 T C 1.876 176.546 174.700 -0.050 0.000 1.039 2224 T CA 1.760 63.846 62.100 -0.023 0.000 1.153 2224 T CB -0.216 68.672 68.868 0.033 0.000 0.863 2224 T HN 0.409 nan 8.240 nan 0.000 0.428 2225 E N -0.507 119.650 120.200 -0.071 0.000 2.077 2225 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 2225 E C 2.034 178.594 176.600 -0.066 0.000 0.989 2225 E CA 0.905 57.276 56.400 -0.048 0.000 0.800 2225 E CB -0.188 29.508 29.700 -0.007 0.000 0.746 2225 E HN 0.597 nan 8.360 nan 0.000 0.452 2226 Y N 1.241 121.415 120.300 -0.210 0.000 2.114 2226 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 2226 Y C 2.051 177.786 175.900 -0.275 0.000 1.143 2226 Y CA 1.597 59.558 58.100 -0.231 0.000 1.135 2226 Y CB -0.206 38.104 38.460 -0.249 0.000 0.980 2226 Y HN 0.074 nan 8.280 nan 0.000 0.499 2227 I N 0.306 120.710 120.570 -0.277 0.000 2.163 2227 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 2227 I C 2.358 178.249 176.117 -0.377 0.000 1.085 2227 I CA 1.436 62.476 61.300 -0.435 0.000 1.347 2227 I CB -1.504 36.371 38.000 -0.209 0.000 1.044 2227 I HN 0.349 nan 8.210 nan 0.000 0.408 2228 Q N 0.439 120.133 119.800 -0.178 0.000 2.112 2228 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 2228 Q C 2.386 178.344 176.000 -0.070 0.000 0.987 2228 Q CA 1.531 57.307 55.803 -0.045 0.000 0.858 2228 Q CB -0.449 28.269 28.738 -0.034 0.000 0.905 2228 Q HN 0.463 nan 8.270 nan 0.000 0.420 2229 R N 0.130 120.495 120.500 -0.224 0.000 2.115 2229 R HA -0.089 4.251 4.340 -0.000 0.000 0.230 2229 R C 1.921 177.980 176.300 -0.401 0.000 1.111 2229 R CA 0.832 56.778 56.100 -0.258 0.000 0.976 2229 R CB 0.216 30.339 30.300 -0.295 0.000 0.870 2229 R HN 0.014 nan 8.270 nan 0.000 0.445 2230 K N 0.541 120.549 120.400 -0.653 0.000 2.148 2230 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 2230 K C 1.775 178.135 176.600 -0.400 0.000 1.050 2230 K CA 1.303 57.149 56.287 -0.735 0.000 0.942 2230 K CB 0.049 31.887 32.500 -1.105 0.000 0.724 2230 K HN 0.232 nan 8.250 nan 0.000 0.446 2231 K N -0.732 119.479 120.400 -0.316 0.000 2.166 2231 K HA 0.077 4.397 4.320 -0.000 0.000 0.201 2231 K C 0.251 176.566 176.600 -0.476 0.000 1.052 2231 K CA 0.557 56.656 56.287 -0.313 0.000 0.969 2231 K CB 0.240 32.587 32.500 -0.255 0.000 0.761 2231 K HN -0.029 nan 8.250 nan 0.000 0.459 2232 F N 1.799 121.674 119.950 -0.125 0.000 2.449 2232 F HA 0.294 4.821 4.527 -0.000 0.000 0.329 2232 F C -2.495 173.245 175.800 -0.099 0.000 1.245 2232 F CA -2.625 55.323 58.000 -0.087 0.000 1.193 2232 F CB 0.871 39.828 39.000 -0.072 0.000 1.425 2232 F HN -0.261 nan 8.300 nan 0.000 0.544 2233 P HA 0.059 nan 4.420 nan 0.000 0.267 2233 P C -1.717 175.589 177.300 0.011 0.000 1.205 2233 P CA -1.075 62.009 63.100 -0.027 0.000 0.765 2233 P CB 0.521 32.203 31.700 -0.030 0.000 0.828 2234 P HA -0.201 nan 4.420 nan 0.000 0.216 2234 P C 0.654 177.960 177.300 0.009 0.000 1.150 2234 P CA 1.607 64.710 63.100 0.005 0.000 0.837 2234 P CB -0.082 31.614 31.700 -0.006 0.000 0.786 2235 D N -1.730 118.675 120.400 0.008 0.000 2.340 2235 D HA -0.068 4.571 4.640 -0.000 0.000 0.220 2235 D C 0.675 176.984 176.300 0.016 0.000 1.039 2235 D CA -0.130 53.878 54.000 0.013 0.000 0.866 2235 D CB -1.376 39.434 40.800 0.016 0.000 0.913 2235 D HN 0.103 nan 8.370 nan 0.000 0.523 2236 N N -0.358 118.353 118.700 0.018 0.000 2.782 2236 N HA -0.256 4.484 4.740 -0.000 0.000 0.251 2236 N C -0.401 175.120 175.510 0.017 0.000 1.101 2236 N CA 0.984 54.046 53.050 0.019 0.000 0.764 2236 N CB -1.598 36.900 38.487 0.018 0.000 1.122 2236 N HN 0.387 nan 8.380 nan 0.000 0.561 2237 S N -1.094 114.619 115.700 0.022 0.000 2.625 2237 S HA 0.622 5.092 4.470 -0.000 0.000 0.258 2237 S C 0.721 175.338 174.600 0.028 0.000 1.256 2237 S CA -0.305 57.913 58.200 0.030 0.000 0.983 2237 S CB 0.698 63.929 63.200 0.051 0.000 1.032 2237 S HN 0.697 nan 8.310 nan 0.000 0.572 2238 A N 1.956 124.797 122.820 0.036 0.000 2.409 2238 A HA 0.561 4.881 4.320 -0.000 0.000 0.262 2238 A C -1.943 175.684 177.584 0.071 0.000 1.113 2238 A CA -1.582 50.473 52.037 0.030 0.000 0.790 2238 A CB -0.825 18.185 19.000 0.016 0.000 1.046 2238 A HN 0.708 nan 8.150 nan 0.000 0.496 2239 P HA 0.023 nan 4.420 nan 0.000 0.268 2239 P C -0.707 176.724 177.300 0.218 0.000 1.208 2239 P CA 0.173 63.313 63.100 0.067 0.000 0.777 2239 P CB 0.201 31.870 31.700 -0.050 0.000 0.875 2240 Y N 0.276 120.586 120.300 0.017 0.000 2.457 2240 Y HA 0.292 4.842 4.550 -0.000 0.000 0.341 2240 Y C 1.796 177.776 175.900 0.134 0.000 1.240 2240 Y CA 0.150 58.311 58.100 0.102 0.000 1.437 2240 Y CB -0.355 38.221 38.460 0.194 0.000 1.328 2240 Y HN 0.424 nan 8.280 nan 0.000 0.588 2241 G N 0.436 109.347 108.800 0.185 0.000 2.539 2241 G HA2 0.521 4.481 3.960 -0.000 0.000 0.258 2241 G HA3 0.521 4.481 3.960 -0.000 0.000 0.258 2241 G C -1.005 173.910 174.900 0.026 0.000 1.202 2241 G CA -0.236 44.921 45.100 0.095 0.000 0.851 2241 G HN 0.809 nan 8.290 nan 0.000 0.556 2242 A N 1.195 123.940 122.820 -0.124 0.000 2.340 2242 A HA 0.897 5.217 4.320 -0.000 0.000 0.331 2242 A C -0.076 177.407 177.584 -0.169 0.000 1.140 2242 A CA -0.755 51.027 52.037 -0.424 0.000 0.801 2242 A CB 1.298 19.943 19.000 -0.592 0.000 1.234 2242 A HN 0.541 nan 8.150 nan 0.000 0.469 2243 R N 0.541 120.970 120.500 -0.118 0.000 2.548 2243 R HA 0.376 4.716 4.340 -0.000 0.000 0.280 2243 R C -2.361 174.030 176.300 0.151 0.000 1.061 2243 R CA -0.385 55.731 56.100 0.027 0.000 0.915 2243 R CB 1.580 31.912 30.300 0.054 0.000 1.210 2243 R HN 0.785 nan 8.270 nan 0.000 0.442 2244 Y N 2.296 122.600 120.300 0.006 0.000 2.379 2244 Y HA 0.143 4.693 4.550 -0.000 0.000 0.342 2244 Y C 0.527 176.464 175.900 0.062 0.000 1.126 2244 Y CA -0.394 57.742 58.100 0.060 0.000 1.310 2244 Y CB 0.930 39.417 38.460 0.045 0.000 1.115 2244 Y HN 0.348 nan 8.280 nan 0.000 0.505 2245 V N 3.340 123.156 119.914 -0.163 0.000 2.427 2245 V HA -0.057 4.063 4.120 -0.000 0.000 0.248 2245 V C 1.820 177.795 176.094 -0.199 0.000 1.051 2245 V CA 2.386 64.605 62.300 -0.135 0.000 1.048 2245 V CB -0.820 30.931 31.823 -0.119 0.000 0.666 2245 V HN 1.205 nan 8.190 nan 0.000 0.456 2246 G N -0.439 108.063 108.800 -0.495 0.000 2.176 2246 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.232 2246 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.232 2246 G C 0.280 175.094 174.900 -0.143 0.000 0.986 2246 G CA 0.202 45.110 45.100 -0.319 0.000 0.643 2246 G HN 0.533 nan 8.290 nan 0.000 0.522 2247 S N 0.479 116.082 115.700 -0.162 0.000 2.530 2247 S HA 0.550 5.020 4.470 -0.000 0.000 0.322 2247 S C 1.115 175.617 174.600 -0.162 0.000 1.085 2247 S CA 0.082 58.223 58.200 -0.098 0.000 1.096 2247 S CB 1.483 64.636 63.200 -0.078 0.000 0.988 2247 S HN 0.379 nan 8.310 nan 0.000 0.466 2248 M N 3.598 123.124 119.600 -0.123 0.000 2.106 2248 M HA -0.138 4.342 4.480 -0.000 0.000 0.259 2248 M C 1.297 177.351 176.300 -0.409 0.000 1.068 2248 M CA 2.046 57.181 55.300 -0.274 0.000 1.100 2248 M CB -0.221 32.303 32.600 -0.128 0.000 1.351 2248 M HN 0.580 nan 8.290 nan 0.000 0.404 2249 V N 0.442 120.167 119.914 -0.314 0.000 2.427 2249 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 2249 V C 2.624 178.477 176.094 -0.401 0.000 1.051 2249 V CA 1.776 63.812 62.300 -0.440 0.000 1.048 2249 V CB -1.501 30.122 31.823 -0.334 0.000 0.666 2249 V HN 0.633 nan 8.190 nan 0.000 0.456 2250 A N -0.145 122.517 122.820 -0.263 0.000 1.873 2250 A HA -0.206 4.114 4.320 -0.000 0.000 0.215 2250 A C 2.054 179.517 177.584 -0.201 0.000 1.186 2250 A CA 1.806 53.733 52.037 -0.183 0.000 0.616 2250 A CB -0.533 18.390 19.000 -0.128 0.000 0.823 2250 A HN 0.517 nan 8.150 nan 0.000 0.442 2251 D N -0.281 119.952 120.400 -0.279 0.000 2.144 2251 D HA -0.079 4.561 4.640 -0.000 0.000 0.200 2251 D C 2.062 178.153 176.300 -0.349 0.000 0.978 2251 D CA 1.334 55.176 54.000 -0.263 0.000 0.833 2251 D CB -0.204 40.446 40.800 -0.249 0.000 0.961 2251 D HN 0.216 nan 8.370 nan 0.000 0.470 2252 V N 0.634 120.222 119.914 -0.544 0.000 2.427 2252 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 2252 V C 2.296 178.233 176.094 -0.262 0.000 1.051 2252 V CA 1.502 63.536 62.300 -0.443 0.000 1.048 2252 V CB -0.504 31.008 31.823 -0.518 0.000 0.666 2252 V HN 0.212 nan 8.190 nan 0.000 0.456 2253 H N 0.582 119.434 119.070 -0.362 0.000 2.353 2253 H HA -0.132 4.424 4.556 -0.000 0.000 0.300 2253 H C 2.462 177.683 175.328 -0.179 0.000 1.090 2253 H CA 2.044 57.977 56.048 -0.191 0.000 1.327 2253 H CB -0.095 29.583 29.762 -0.139 0.000 1.383 2253 H HN 0.176 nan 8.280 nan 0.000 0.508 2254 R N -0.319 120.036 120.500 -0.241 0.000 2.127 2254 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 2254 R C 1.660 177.808 176.300 -0.253 0.000 1.134 2254 R CA 1.799 57.675 56.100 -0.374 0.000 0.975 2254 R CB -0.284 29.868 30.300 -0.247 0.000 0.865 2254 R HN 0.402 nan 8.270 nan 0.000 0.447 2255 T N 1.917 116.391 114.554 -0.134 0.000 2.708 2255 T HA -0.164 4.186 4.350 -0.000 0.000 0.266 2255 T C 1.723 176.395 174.700 -0.047 0.000 1.037 2255 T CA 1.271 63.355 62.100 -0.026 0.000 1.146 2255 T CB -0.288 68.595 68.868 0.025 0.000 0.865 2255 T HN 0.183 nan 8.240 nan 0.000 0.435 2256 L N 1.231 122.387 121.223 -0.111 0.000 2.012 2256 L HA -0.045 4.295 4.340 -0.000 0.000 0.210 2256 L C 2.334 179.134 176.870 -0.117 0.000 1.073 2256 L CA 1.729 56.510 54.840 -0.098 0.000 0.748 2256 L CB -0.709 41.289 42.059 -0.101 0.000 0.891 2256 L HN 0.089 nan 8.230 nan 0.000 0.431 2257 V N -1.721 118.051 119.914 -0.236 0.000 2.788 2257 V HA -0.172 3.948 4.120 -0.000 0.000 0.251 2257 V C 1.868 178.016 176.094 0.090 0.000 1.068 2257 V CA 1.491 63.689 62.300 -0.170 0.000 1.090 2257 V CB -0.404 31.182 31.823 -0.395 0.000 0.710 2257 V HN 0.511 nan 8.190 nan 0.000 0.467 2258 Y N -0.418 119.826 120.300 -0.093 0.000 2.498 2258 Y HA 0.472 5.022 4.550 -0.000 0.000 0.259 2258 Y C 1.466 177.337 175.900 -0.047 0.000 1.086 2258 Y CA 0.063 58.126 58.100 -0.061 0.000 1.287 2258 Y CB 1.020 39.450 38.460 -0.051 0.000 1.146 2258 Y HN 0.389 nan 8.280 nan 0.000 0.523 2259 G N 0.431 109.302 108.800 0.118 0.000 2.756 2259 G HA2 0.211 4.170 3.960 -0.000 0.000 0.678 2259 G HA3 0.211 4.170 3.960 -0.000 0.000 0.678 2259 G C -0.018 174.939 174.900 0.096 0.000 1.349 2259 G CA -0.626 44.520 45.100 0.077 0.000 0.847 2259 G HN 0.968 nan 8.290 nan 0.000 0.548 2260 G N -1.089 107.776 108.800 0.108 0.000 2.416 2260 G HA2 0.390 4.350 3.960 -0.000 0.000 0.203 2260 G HA3 0.390 4.350 3.960 -0.000 0.000 0.203 2260 G C -0.402 174.634 174.900 0.227 0.000 1.227 2260 G CA 0.205 45.411 45.100 0.177 0.000 1.041 2260 G HN 2.251 nan 8.290 nan 0.000 0.546 2261 I N -0.472 120.277 120.570 0.297 0.000 2.722 2261 I HA 0.754 4.924 4.170 -0.000 0.000 0.295 2261 I C -1.388 174.924 176.117 0.325 0.000 1.161 2261 I CA -1.251 60.217 61.300 0.280 0.000 1.032 2261 I CB 1.851 40.016 38.000 0.276 0.000 1.244 2261 I HN 0.809 nan 8.210 nan 0.000 0.421 2262 F N 7.975 128.009 119.950 0.139 0.000 2.495 2262 F HA 0.756 5.283 4.527 -0.000 0.000 0.327 2262 F C -1.403 174.482 175.800 0.141 0.000 1.103 2262 F CA -0.614 57.477 58.000 0.151 0.000 0.949 2262 F CB 1.669 40.738 39.000 0.115 0.000 1.142 2262 F HN 0.272 nan 8.300 nan 0.000 0.457 2263 M N 6.564 125.739 119.600 -0.708 0.000 2.326 2263 M HA 0.298 4.778 4.480 -0.000 0.000 0.292 2263 M C -2.008 173.954 176.300 -0.564 0.000 1.081 2263 M CA -0.657 54.351 55.300 -0.486 0.000 0.919 2263 M CB 2.469 34.921 32.600 -0.247 0.000 1.634 2263 M HN 0.618 nan 8.290 nan 0.000 0.451 2264 Y N 4.532 124.621 120.300 -0.352 0.000 2.628 2264 Y HA 0.451 5.001 4.550 -0.000 0.000 0.354 2264 Y C -2.658 173.211 175.900 -0.052 0.000 1.061 2264 Y CA -2.018 56.006 58.100 -0.126 0.000 1.251 2264 Y CB 1.002 39.464 38.460 0.003 0.000 1.098 2264 Y HN 0.339 nan 8.280 nan 0.000 0.626 2265 P HA 0.381 nan 4.420 nan 0.000 0.281 2265 P C -0.590 176.820 177.300 0.184 0.000 1.281 2265 P CA -0.486 62.678 63.100 0.107 0.000 0.811 2265 P CB 1.167 32.870 31.700 0.005 0.000 1.154 2266 A N 1.432 124.327 122.820 0.124 0.000 2.498 2266 A HA 0.254 4.574 4.320 -0.000 0.000 0.239 2266 A C 0.722 178.371 177.584 0.108 0.000 1.068 2266 A CA -0.007 52.092 52.037 0.103 0.000 0.766 2266 A CB -0.804 18.234 19.000 0.063 0.000 1.003 2266 A HN 0.778 nan 8.150 nan 0.000 0.497 2267 N N 1.208 119.931 118.700 0.037 0.000 3.343 2267 N HA 0.284 5.024 4.740 -0.000 0.000 0.330 2267 N C 0.615 176.097 175.510 -0.046 0.000 1.560 2267 N CA -0.728 52.302 53.050 -0.033 0.000 0.752 2267 N CB 0.812 39.161 38.487 -0.229 0.000 1.863 2267 N HN 0.485 nan 8.380 nan 0.000 0.636 2268 K N 0.660 121.021 120.400 -0.065 0.000 1.972 2268 K HA -0.245 4.075 4.320 -0.000 0.000 0.227 2268 K C 1.757 178.341 176.600 -0.026 0.000 1.046 2268 K CA 2.510 58.779 56.287 -0.031 0.000 1.013 2268 K CB -0.379 32.109 32.500 -0.020 0.000 0.741 2268 K HN 0.625 nan 8.250 nan 0.000 0.446 2269 K N -0.041 120.340 120.400 -0.032 0.000 2.585 2269 K HA -0.031 4.289 4.320 -0.000 0.000 0.194 2269 K C -0.384 176.203 176.600 -0.022 0.000 1.037 2269 K CA 1.211 57.489 56.287 -0.015 0.000 0.964 2269 K CB 0.203 32.705 32.500 0.004 0.000 0.787 2269 K HN -0.035 nan 8.250 nan 0.000 0.488 2270 S N 1.758 117.436 115.700 -0.036 0.000 2.235 2270 S HA 0.214 4.684 4.470 -0.000 0.000 0.152 2270 S C -2.315 172.283 174.600 -0.004 0.000 1.649 2270 S CA -1.071 57.116 58.200 -0.021 0.000 1.277 2270 S CB 1.598 64.787 63.200 -0.019 0.000 1.299 2270 S HN 0.215 nan 8.310 nan 0.000 0.388 2271 P HA 0.015 nan 4.420 nan 0.000 0.226 2271 P C 0.542 177.848 177.300 0.010 0.000 1.153 2271 P CA 0.811 63.916 63.100 0.010 0.000 0.777 2271 P CB 0.242 31.946 31.700 0.007 0.000 0.794 2272 K N -0.342 120.059 120.400 0.001 0.000 2.514 2272 K HA 0.426 4.746 4.320 -0.000 0.000 0.207 2272 K C 0.615 177.209 176.600 -0.010 0.000 1.035 2272 K CA 0.210 56.493 56.287 -0.006 0.000 1.113 2272 K CB 0.238 32.730 32.500 -0.014 0.000 0.846 2272 K HN 0.136 nan 8.250 nan 0.000 0.491 2273 G N 0.671 109.475 108.800 0.007 0.000 2.757 2273 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.638 2273 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.638 2273 G C 0.044 174.895 174.900 -0.081 0.000 1.344 2273 G CA -0.010 45.096 45.100 0.011 0.000 0.855 2273 G HN 0.207 nan 8.290 nan 0.000 0.537 2274 K N -0.993 119.250 120.400 -0.262 0.000 2.306 2274 K HA 0.311 4.631 4.320 -0.000 0.000 0.200 2274 K C 1.379 177.810 176.600 -0.282 0.000 1.083 2274 K CA -0.149 55.937 56.287 -0.335 0.000 0.959 2274 K CB -0.061 32.074 32.500 -0.609 0.000 0.994 2274 K HN 0.505 nan 8.250 nan 0.000 0.492 2275 L N 3.510 124.531 121.223 -0.336 0.000 2.483 2275 L HA 0.093 4.432 4.340 -0.000 0.000 0.276 2275 L C 0.285 177.077 176.870 -0.130 0.000 1.213 2275 L CA -0.318 54.415 54.840 -0.178 0.000 0.843 2275 L CB 0.310 42.310 42.059 -0.098 0.000 1.107 2275 L HN 0.189 nan 8.230 nan 0.000 0.487 2276 R N 2.800 123.216 120.500 -0.141 0.000 2.298 2276 R HA 0.107 4.447 4.340 -0.000 0.000 0.310 2276 R C 0.965 177.074 176.300 -0.317 0.000 1.068 2276 R CA -0.467 55.468 56.100 -0.275 0.000 0.957 2276 R CB 1.137 31.123 30.300 -0.522 0.000 1.003 2276 R HN 0.637 nan 8.270 nan 0.000 0.454 2277 L N 3.772 124.843 121.223 -0.253 0.000 1.989 2277 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 2277 L C 1.714 178.468 176.870 -0.193 0.000 1.071 2277 L CA 1.932 56.670 54.840 -0.170 0.000 0.749 2277 L CB -0.267 41.722 42.059 -0.116 0.000 0.890 2277 L HN 0.646 nan 8.230 nan 0.000 0.431 2278 L N -0.691 120.344 121.223 -0.314 0.000 2.093 2278 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 2278 L C 1.985 178.831 176.870 -0.039 0.000 1.085 2278 L CA 1.456 56.209 54.840 -0.145 0.000 0.755 2278 L CB -0.505 41.498 42.059 -0.094 0.000 0.904 2278 L HN 0.482 nan 8.230 nan 0.000 0.435 2279 Y N -3.896 116.435 120.300 0.053 0.000 2.626 2279 Y HA 0.404 4.954 4.550 -0.000 0.000 0.248 2279 Y C 1.420 177.351 175.900 0.051 0.000 1.147 2279 Y CA -0.671 57.465 58.100 0.060 0.000 1.219 2279 Y CB -0.273 38.208 38.460 0.036 0.000 1.279 2279 Y HN -0.016 nan 8.280 nan 0.000 0.541 2280 E N -0.270 119.925 120.200 -0.007 0.000 2.756 2280 E HA 0.084 4.434 4.350 -0.000 0.000 0.192 2280 E C 1.333 177.937 176.600 0.007 0.000 1.022 2280 E CA 0.790 57.210 56.400 0.034 0.000 1.224 2280 E CB -0.160 29.552 29.700 0.019 0.000 1.252 2280 E HN 0.312 nan 8.360 nan 0.000 0.494 2281 C N 1.304 120.590 119.300 -0.023 0.000 2.453 2281 C HA -0.019 4.441 4.460 -0.000 0.000 0.277 2281 C C 2.409 177.419 174.990 0.033 0.000 1.262 2281 C CA 0.857 59.884 59.018 0.014 0.000 1.718 2281 C CB -1.188 26.551 27.740 -0.002 0.000 2.031 2281 C HN 0.458 nan 8.230 nan 0.000 0.480 2282 N N 0.954 119.671 118.700 0.028 0.000 2.058 2282 N HA -0.108 4.632 4.740 -0.000 0.000 0.191 2282 N C -1.010 174.541 175.510 0.070 0.000 1.037 2282 N CA 1.353 54.442 53.050 0.065 0.000 0.848 2282 N CB -0.724 37.818 38.487 0.091 0.000 1.021 2282 N HN 0.373 nan 8.380 nan 0.000 0.422 2283 P HA -0.166 nan 4.420 nan 0.000 0.216 2283 P C 1.144 178.486 177.300 0.069 0.000 1.153 2283 P CA 1.312 64.414 63.100 0.004 0.000 0.858 2283 P CB 0.095 31.771 31.700 -0.040 0.000 0.789 2284 M N -1.460 118.176 119.600 0.059 0.000 2.200 2284 M HA 0.001 4.481 4.480 -0.000 0.000 0.265 2284 M C 2.121 178.469 176.300 0.080 0.000 1.066 2284 M CA 1.545 56.882 55.300 0.061 0.000 1.127 2284 M CB -1.948 30.649 32.600 -0.004 0.000 1.379 2284 M HN -0.115 nan 8.290 nan 0.000 0.420 2285 A N -0.784 122.089 122.820 0.088 0.000 1.933 2285 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 2285 A C 2.176 179.821 177.584 0.101 0.000 1.175 2285 A CA 1.320 53.409 52.037 0.086 0.000 0.628 2285 A CB -1.052 17.998 19.000 0.083 0.000 0.814 2285 A HN 0.493 nan 8.150 nan 0.000 0.444 2286 Y N 0.350 120.653 120.300 0.004 0.000 2.163 2286 Y HA -0.155 4.395 4.550 -0.000 0.000 0.288 2286 Y C 2.390 178.287 175.900 -0.005 0.000 1.136 2286 Y CA 1.919 60.016 58.100 -0.005 0.000 1.147 2286 Y CB -0.274 38.169 38.460 -0.028 0.000 0.987 2286 Y HN 0.062 nan 8.280 nan 0.000 0.509 2287 V N 0.347 120.338 119.914 0.128 0.000 2.282 2287 V HA -0.405 3.715 4.120 -0.000 0.000 0.249 2287 V C 2.447 178.529 176.094 -0.020 0.000 1.057 2287 V CA 2.136 64.460 62.300 0.040 0.000 1.032 2287 V CB -0.652 31.241 31.823 0.118 0.000 0.645 2287 V HN 0.468 nan 8.190 nan 0.000 0.447 2288 M N -0.691 118.916 119.600 0.011 0.000 2.086 2288 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 2288 M C 2.233 178.509 176.300 -0.041 0.000 1.067 2288 M CA 1.773 57.072 55.300 -0.001 0.000 1.116 2288 M CB -1.128 31.488 32.600 0.026 0.000 1.348 2288 M HN 0.458 nan 8.290 nan 0.000 0.407 2289 E N -0.338 119.819 120.200 -0.071 0.000 2.106 2289 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 2289 E C 1.901 178.416 176.600 -0.142 0.000 0.984 2289 E CA 0.711 57.055 56.400 -0.093 0.000 0.806 2289 E CB -0.022 29.622 29.700 -0.092 0.000 0.750 2289 E HN 0.294 nan 8.360 nan 0.000 0.458 2290 K N 0.350 120.606 120.400 -0.241 0.000 2.280 2290 K HA -0.046 4.274 4.320 -0.000 0.000 0.202 2290 K C 1.515 178.046 176.600 -0.115 0.000 1.047 2290 K CA 0.681 56.833 56.287 -0.225 0.000 0.942 2290 K CB -0.046 32.260 32.500 -0.323 0.000 0.739 2290 K HN 0.050 nan 8.250 nan 0.000 0.457 2291 A N -0.188 122.582 122.820 -0.084 0.000 2.307 2291 A HA 0.371 4.691 4.320 -0.000 0.000 0.218 2291 A C 1.145 178.709 177.584 -0.035 0.000 1.228 2291 A CA 0.668 52.676 52.037 -0.048 0.000 0.857 2291 A CB -0.108 18.872 19.000 -0.033 0.000 0.897 2291 A HN 0.301 nan 8.150 nan 0.000 0.495 2292 G N -1.809 106.967 108.800 -0.040 0.000 2.132 2292 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.234 2292 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.234 2292 G C 0.630 175.523 174.900 -0.011 0.000 0.989 2292 G CA 0.297 45.383 45.100 -0.023 0.000 0.676 2292 G HN 1.335 nan 8.290 nan 0.000 0.522 2293 G N -1.174 107.619 108.800 -0.011 0.000 2.613 2293 G HA2 0.796 4.756 3.960 -0.000 0.000 0.303 2293 G HA3 0.796 4.756 3.960 -0.000 0.000 0.303 2293 G C -0.305 174.599 174.900 0.006 0.000 1.312 2293 G CA -1.054 44.050 45.100 0.007 0.000 1.036 2293 G HN 0.634 nan 8.290 nan 0.000 0.513 2294 L N -0.609 120.626 121.223 0.019 0.000 2.341 2294 L HA 0.749 5.089 4.340 -0.000 0.000 0.267 2294 L C -0.150 176.736 176.870 0.027 0.000 1.009 2294 L CA -1.114 53.736 54.840 0.015 0.000 0.819 2294 L CB 2.468 44.534 42.059 0.012 0.000 1.323 2294 L HN 0.633 nan 8.230 nan 0.000 0.425 2295 A N 0.942 123.776 122.820 0.022 0.000 2.446 2295 A HA 0.672 4.992 4.320 -0.000 0.000 0.282 2295 A C -0.716 176.875 177.584 0.012 0.000 1.102 2295 A CA -0.374 51.683 52.037 0.032 0.000 0.737 2295 A CB 1.691 20.720 19.000 0.048 0.000 1.212 2295 A HN 0.569 nan 8.150 nan 0.000 0.434 2296 T N 0.137 114.687 114.554 -0.006 0.000 2.906 2296 T HA 0.541 4.891 4.350 -0.000 0.000 0.295 2296 T C 1.313 175.976 174.700 -0.063 0.000 1.075 2296 T CA 0.475 62.550 62.100 -0.041 0.000 1.005 2296 T CB 1.472 70.301 68.868 -0.065 0.000 1.136 2296 T HN 1.120 nan 8.240 nan 0.000 0.498 2297 T N -0.251 114.247 114.554 -0.093 0.000 3.088 2297 T HA 0.357 4.707 4.350 -0.000 0.000 0.259 2297 T C 1.580 176.140 174.700 -0.234 0.000 1.122 2297 T CA 1.235 63.265 62.100 -0.116 0.000 1.095 2297 T CB -0.195 68.611 68.868 -0.103 0.000 0.930 2297 T HN 1.454 nan 8.240 nan 0.000 0.508 2298 G N 1.187 109.794 108.800 -0.322 0.000 2.391 2298 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.204 2298 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.204 2298 G C 0.961 175.523 174.900 -0.564 0.000 1.012 2298 G CA 0.171 44.850 45.100 -0.701 0.000 0.651 2298 G HN 0.411 nan 8.290 nan 0.000 0.494 2299 K N 0.904 121.108 120.400 -0.327 0.000 2.464 2299 K HA 0.284 4.604 4.320 -0.000 0.000 0.206 2299 K C 0.744 177.275 176.600 -0.115 0.000 1.186 2299 K CA 1.201 57.370 56.287 -0.197 0.000 0.990 2299 K CB 1.242 33.647 32.500 -0.157 0.000 1.003 2299 K HN 0.832 nan 8.250 nan 0.000 0.562 2300 E N -0.768 119.371 120.200 -0.102 0.000 2.416 2300 E HA 0.511 4.861 4.350 -0.000 0.000 0.280 2300 E C -1.409 175.163 176.600 -0.047 0.000 1.055 2300 E CA -0.921 55.443 56.400 -0.060 0.000 0.825 2300 E CB 1.126 30.798 29.700 -0.046 0.000 1.312 2300 E HN -0.112 nan 8.360 nan 0.000 0.452 2301 A N 1.595 124.400 122.820 -0.025 0.000 2.492 2301 A HA 0.257 4.577 4.320 -0.000 0.000 0.254 2301 A C 1.183 178.767 177.584 -0.001 0.000 1.091 2301 A CA -0.229 51.803 52.037 -0.010 0.000 0.768 2301 A CB 0.435 19.436 19.000 0.003 0.000 1.028 2301 A HN 0.496 nan 8.150 nan 0.000 0.498 2302 V N 3.472 123.388 119.914 0.004 0.000 2.324 2302 V HA -0.278 3.842 4.120 -0.000 0.000 0.250 2302 V C 2.285 178.398 176.094 0.033 0.000 1.060 2302 V CA 2.381 64.689 62.300 0.014 0.000 1.042 2302 V CB -0.752 31.087 31.823 0.026 0.000 0.650 2302 V HN 0.844 nan 8.190 nan 0.000 0.450 2303 L N -0.419 120.834 121.223 0.049 0.000 2.465 2303 L HA -0.071 4.269 4.340 -0.000 0.000 0.224 2303 L C 1.555 178.464 176.870 0.064 0.000 1.145 2303 L CA 0.879 55.767 54.840 0.079 0.000 0.834 2303 L CB -0.376 41.746 42.059 0.104 0.000 0.944 2303 L HN 0.368 nan 8.230 nan 0.000 0.451 2304 D N -0.233 120.189 120.400 0.037 0.000 2.369 2304 D HA 0.211 4.851 4.640 -0.000 0.000 0.211 2304 D C 0.771 177.079 176.300 0.013 0.000 1.077 2304 D CA 0.088 54.105 54.000 0.028 0.000 0.842 2304 D CB 0.626 41.437 40.800 0.018 0.000 0.947 2304 D HN 0.221 nan 8.370 nan 0.000 0.509 2305 I N 1.616 122.190 120.570 0.008 0.000 2.598 2305 I HA -0.065 4.105 4.170 -0.000 0.000 0.284 2305 I C 0.291 176.403 176.117 -0.009 0.000 1.140 2305 I CA 0.010 61.307 61.300 -0.006 0.000 1.420 2305 I CB 1.020 39.012 38.000 -0.013 0.000 1.387 2305 I HN -0.353 nan 8.210 nan 0.000 0.553 2306 V N 9.117 129.020 119.914 -0.018 0.000 2.348 2306 V HA 0.223 4.343 4.120 -0.000 0.000 0.270 2306 V C -1.735 174.335 176.094 -0.040 0.000 1.037 2306 V CA -1.483 60.799 62.300 -0.030 0.000 0.872 2306 V CB 0.555 32.361 31.823 -0.028 0.000 1.002 2306 V HN 0.626 nan 8.190 nan 0.000 0.464 2307 P HA 0.250 nan 4.420 nan 0.000 0.272 2307 P C 0.536 177.802 177.300 -0.056 0.000 1.230 2307 P CA -0.093 62.972 63.100 -0.058 0.000 0.788 2307 P CB 0.824 32.477 31.700 -0.077 0.000 0.949 2308 T N -4.494 110.031 114.554 -0.048 0.000 3.016 2308 T HA 0.184 4.534 4.350 -0.000 0.000 0.271 2308 T C -0.145 174.531 174.700 -0.040 0.000 0.968 2308 T CA -0.050 62.025 62.100 -0.041 0.000 0.891 2308 T CB -0.027 68.823 68.868 -0.030 0.000 1.149 2308 T HN 0.358 nan 8.240 nan 0.000 0.524 2309 D N 1.461 121.834 120.400 -0.044 0.000 2.863 2309 D HA 0.289 4.929 4.640 -0.000 0.000 0.245 2309 D C 1.386 177.642 176.300 -0.073 0.000 1.211 2309 D CA -0.967 53.010 54.000 -0.039 0.000 0.888 2309 D CB 1.663 42.459 40.800 -0.007 0.000 1.483 2309 D HN 0.061 nan 8.370 nan 0.000 0.533 2310 I N 1.786 122.280 120.570 -0.127 0.000 2.454 2310 I HA -0.113 4.057 4.170 -0.000 0.000 0.254 2310 I C 0.417 176.394 176.117 -0.233 0.000 1.156 2310 I CA 1.448 62.620 61.300 -0.214 0.000 1.433 2310 I CB -1.348 36.460 38.000 -0.320 0.000 1.082 2310 I HN 0.388 nan 8.210 nan 0.000 0.432 2311 H N 1.215 120.302 119.070 0.028 0.000 2.487 2311 H HA 0.285 4.841 4.556 -0.000 0.000 0.290 2311 H C 0.820 176.125 175.328 -0.040 0.000 1.081 2311 H CA -0.409 55.658 56.048 0.032 0.000 1.116 2311 H CB 0.211 30.019 29.762 0.076 0.000 1.560 2311 H HN 0.515 nan 8.280 nan 0.000 0.548 2312 Q N 1.472 121.275 119.800 0.005 0.000 2.394 2312 Q HA 0.171 4.511 4.340 -0.000 0.000 0.248 2312 Q C -0.373 175.589 176.000 -0.064 0.000 0.992 2312 Q CA -0.358 55.431 55.803 -0.023 0.000 0.888 2312 Q CB 1.086 29.802 28.738 -0.038 0.000 1.257 2312 Q HN 0.376 nan 8.270 nan 0.000 0.462 2313 R N 0.719 121.188 120.500 -0.051 0.000 2.674 2313 R HA 0.830 5.170 4.340 -0.000 0.000 0.266 2313 R C -1.179 175.085 176.300 -0.061 0.000 1.016 2313 R CA -0.410 55.648 56.100 -0.069 0.000 1.062 2313 R CB 1.918 32.183 30.300 -0.059 0.000 1.142 2313 R HN 0.764 nan 8.270 nan 0.000 0.517 2314 A N 1.669 124.451 122.820 -0.062 0.000 2.574 2314 A HA 0.553 4.872 4.320 -0.000 0.000 0.297 2314 A C -2.748 174.821 177.584 -0.026 0.000 1.062 2314 A CA -1.669 50.343 52.037 -0.041 0.000 0.686 2314 A CB 1.636 20.613 19.000 -0.038 0.000 1.285 2314 A HN 0.397 nan 8.150 nan 0.000 0.403 2315 P HA 0.567 nan 4.420 nan 0.000 0.272 2315 P C -0.865 176.447 177.300 0.020 0.000 1.223 2315 P CA -0.014 63.098 63.100 0.020 0.000 0.784 2315 P CB 0.819 32.521 31.700 0.004 0.000 0.923 2316 I N 2.019 122.624 120.570 0.057 0.000 2.775 2316 I HA 0.456 4.626 4.170 -0.000 0.000 0.295 2316 I C -1.670 174.478 176.117 0.052 0.000 1.287 2316 I CA -1.230 60.108 61.300 0.063 0.000 1.029 2316 I CB 1.608 39.678 38.000 0.116 0.000 1.282 2316 I HN 0.198 nan 8.210 nan 0.000 0.426 2317 I N 8.099 128.690 120.570 0.035 0.000 2.478 2317 I HA 0.609 4.779 4.170 -0.000 0.000 0.287 2317 I C -1.297 174.860 176.117 0.067 0.000 1.042 2317 I CA -0.637 60.673 61.300 0.018 0.000 1.067 2317 I CB 1.644 39.618 38.000 -0.044 0.000 1.233 2317 I HN 0.526 nan 8.210 nan 0.000 0.431 2318 L N 4.200 125.502 121.223 0.132 0.000 2.568 2318 L HA 1.146 5.486 4.340 -0.000 0.000 0.257 2318 L C -0.137 176.819 176.870 0.143 0.000 1.024 2318 L CA -0.284 54.635 54.840 0.131 0.000 0.854 2318 L CB 1.692 43.843 42.059 0.154 0.000 1.460 2318 L HN 0.753 nan 8.230 nan 0.000 0.409 2319 G N -0.472 108.389 108.800 0.102 0.000 2.236 2319 G HA2 0.128 4.088 3.960 -0.000 0.000 0.231 2319 G HA3 0.128 4.088 3.960 -0.000 0.000 0.231 2319 G C -1.099 173.846 174.900 0.076 0.000 1.334 2319 G CA -0.407 44.753 45.100 0.101 0.000 1.137 2319 G HN 0.868 nan 8.290 nan 0.000 0.482 2320 S N 3.267 119.020 115.700 0.088 0.000 2.525 2320 S HA 0.337 4.807 4.470 -0.000 0.000 0.285 2320 S C -0.742 173.899 174.600 0.070 0.000 1.283 2320 S CA 0.089 58.334 58.200 0.075 0.000 1.072 2320 S CB 1.585 64.839 63.200 0.089 0.000 0.867 2320 S HN 0.538 nan 8.310 nan 0.000 0.492 2321 P HA -0.174 nan 4.420 nan 0.000 0.216 2321 P C 0.909 178.239 177.300 0.049 0.000 1.153 2321 P CA 1.287 64.410 63.100 0.039 0.000 0.858 2321 P CB 0.209 31.926 31.700 0.028 0.000 0.789 2322 E N -0.443 119.795 120.200 0.063 0.000 2.150 2322 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 2322 E C 1.779 178.439 176.600 0.100 0.000 0.985 2322 E CA 0.861 57.306 56.400 0.074 0.000 0.814 2322 E CB -0.311 29.437 29.700 0.080 0.000 0.752 2322 E HN 0.309 nan 8.360 nan 0.000 0.466 2323 D N 0.307 120.786 120.400 0.132 0.000 2.103 2323 D HA -0.106 4.534 4.640 -0.000 0.000 0.199 2323 D C 2.149 178.488 176.300 0.065 0.000 0.978 2323 D CA 0.856 54.963 54.000 0.177 0.000 0.829 2323 D CB -0.141 40.818 40.800 0.264 0.000 0.981 2323 D HN 0.023 nan 8.370 nan 0.000 0.464 2324 V N 1.283 121.217 119.914 0.033 0.000 2.407 2324 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 2324 V C 2.537 178.610 176.094 -0.035 0.000 1.055 2324 V CA 1.761 64.042 62.300 -0.031 0.000 1.049 2324 V CB -0.799 31.023 31.823 -0.002 0.000 0.662 2324 V HN 0.202 nan 8.190 nan 0.000 0.455 2325 T N -0.507 114.050 114.554 0.004 0.000 2.746 2325 T HA -0.253 4.097 4.350 -0.000 0.000 0.267 2325 T C 1.877 176.583 174.700 0.011 0.000 1.039 2325 T CA 1.843 63.949 62.100 0.010 0.000 1.142 2325 T CB -0.218 68.664 68.868 0.024 0.000 0.866 2325 T HN 0.665 nan 8.240 nan 0.000 0.444 2326 E N 0.338 120.555 120.200 0.028 0.000 2.097 2326 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 2326 E C 2.113 178.709 176.600 -0.007 0.000 1.000 2326 E CA 1.045 57.475 56.400 0.051 0.000 0.804 2326 E CB -0.190 29.596 29.700 0.143 0.000 0.740 2326 E HN 0.280 nan 8.360 nan 0.000 0.454 2327 L N 0.724 121.848 121.223 -0.166 0.000 2.072 2327 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 2327 L C 2.094 178.948 176.870 -0.025 0.000 1.079 2327 L CA 1.422 56.095 54.840 -0.279 0.000 0.752 2327 L CB -0.526 41.185 42.059 -0.581 0.000 0.906 2327 L HN 0.247 nan 8.230 nan 0.000 0.436 2328 L N -0.494 120.736 121.223 0.011 0.000 2.079 2328 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 2328 L C 2.514 179.434 176.870 0.084 0.000 1.081 2328 L CA 1.596 56.479 54.840 0.071 0.000 0.752 2328 L CB -0.475 41.591 42.059 0.012 0.000 0.896 2328 L HN 0.367 nan 8.230 nan 0.000 0.433 2329 E N -0.275 119.954 120.200 0.049 0.000 2.106 2329 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 2329 E C 2.153 178.790 176.600 0.062 0.000 0.984 2329 E CA 0.847 57.279 56.400 0.053 0.000 0.806 2329 E CB 0.047 29.772 29.700 0.042 0.000 0.750 2329 E HN 0.326 nan 8.360 nan 0.000 0.458 2330 I N 0.436 121.024 120.570 0.030 0.000 2.127 2330 I HA -0.282 3.888 4.170 -0.000 0.000 0.241 2330 I C 2.064 178.168 176.117 -0.022 0.000 1.075 2330 I CA 1.538 62.831 61.300 -0.012 0.000 1.334 2330 I CB -1.371 36.537 38.000 -0.153 0.000 1.040 2330 I HN 0.145 nan 8.210 nan 0.000 0.405 2331 Y N 1.116 121.369 120.300 -0.079 0.000 2.207 2331 Y HA -0.252 4.298 4.550 -0.000 0.000 0.287 2331 Y C 2.798 178.705 175.900 0.012 0.000 1.156 2331 Y CA 1.652 59.706 58.100 -0.078 0.000 1.182 2331 Y CB -0.545 37.863 38.460 -0.087 0.000 0.979 2331 Y HN 0.318 nan 8.280 nan 0.000 0.521 2332 Q N -0.240 119.667 119.800 0.177 0.000 2.119 2332 Q HA -0.195 4.145 4.340 -0.000 0.000 0.201 2332 Q C 2.264 178.330 176.000 0.110 0.000 0.972 2332 Q CA 1.462 57.336 55.803 0.118 0.000 0.847 2332 Q CB -0.107 28.677 28.738 0.078 0.000 0.903 2332 Q HN 0.404 nan 8.270 nan 0.000 0.433 2333 K N 0.314 120.789 120.400 0.125 0.000 2.002 2333 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 2333 K C 1.805 178.472 176.600 0.112 0.000 1.048 2333 K CA 1.357 57.708 56.287 0.106 0.000 0.930 2333 K CB -0.156 32.413 32.500 0.114 0.000 0.714 2333 K HN 0.353 nan 8.250 nan 0.000 0.438 2334 H N 0.037 119.109 119.070 0.002 0.000 2.426 2334 H HA -0.095 4.461 4.556 -0.000 0.000 0.298 2334 H C 0.975 176.315 175.328 0.019 0.000 1.107 2334 H CA 0.721 56.769 56.048 -0.001 0.000 1.298 2334 H CB 0.032 29.781 29.762 -0.021 0.000 1.377 2334 H HN 0.347 nan 8.280 nan 0.000 0.519 2335 A N 0.000 122.911 122.820 0.152 0.000 2.254 2335 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 2335 A CA 0.000 52.095 52.037 0.097 0.000 0.836 2335 A CB 0.000 19.059 19.000 0.099 0.000 0.831 2335 A HN 0.000 nan 8.150 nan 0.000 0.486