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 1t8x_1_B DATA FIRST_RESID 2003 DATA SEQUENCE KFLVIAGPCA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCGQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATHSVQLPGX XXXXXGGMRE DATA SEQUENCE FIFPLIRAAV AVGCDGVFME THPEPEKALS DASTQLPLSQ LEGIIEAILE DATA SEQUENCE IREVASKYYE TI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2003 K HA 0.000 nan 4.320 nan 0.000 0.191 2003 K C 0.000 176.685 176.600 0.142 0.000 0.988 2003 K CA 0.000 56.361 56.287 0.123 0.000 0.838 2003 K CB 0.000 32.564 32.500 0.106 0.000 1.064 2004 F N 2.760 122.719 119.950 0.015 0.000 2.529 2004 F HA 0.224 4.752 4.527 0.001 0.000 0.365 2004 F C -0.328 175.428 175.800 -0.073 0.000 1.102 2004 F CA -0.093 57.901 58.000 -0.011 0.000 1.271 2004 F CB 0.450 39.437 39.000 -0.022 0.000 1.120 2004 F HN 0.214 nan 8.300 nan 0.000 0.579 2005 L N 6.564 127.339 121.223 -0.746 0.000 2.307 2005 L HA 0.495 4.836 4.340 0.001 0.000 0.282 2005 L C -0.986 175.455 176.870 -0.715 0.000 1.051 2005 L CA -0.920 53.566 54.840 -0.589 0.000 0.804 2005 L CB 1.672 43.462 42.059 -0.448 0.000 1.197 2005 L HN 0.353 nan 8.230 nan 0.000 0.431 2006 V N 5.464 125.059 119.914 -0.533 0.000 2.419 2006 V HA 0.368 4.489 4.120 0.001 0.000 0.287 2006 V C -0.092 175.815 176.094 -0.313 0.000 1.017 2006 V CA -0.310 61.718 62.300 -0.454 0.000 0.844 2006 V CB 1.788 33.226 31.823 -0.642 0.000 1.011 2006 V HN 0.501 nan 8.190 nan 0.000 0.429 2007 I N 4.687 125.098 120.570 -0.265 0.000 2.312 2007 I HA 0.786 4.957 4.170 0.001 0.000 0.290 2007 I C 0.381 176.249 176.117 -0.414 0.000 1.008 2007 I CA 0.012 61.137 61.300 -0.291 0.000 1.226 2007 I CB 1.385 39.221 38.000 -0.274 0.000 1.371 2007 I HN 0.686 nan 8.210 nan 0.000 0.468 2008 A N 4.636 127.247 122.820 -0.348 0.000 2.587 2008 A HA 1.012 5.333 4.320 0.001 0.000 0.293 2008 A C -0.408 176.868 177.584 -0.512 0.000 1.087 2008 A CA -0.278 51.525 52.037 -0.390 0.000 0.692 2008 A CB 1.992 20.891 19.000 -0.167 0.000 1.291 2008 A HN 0.887 nan 8.150 nan 0.000 0.407 2009 G N -0.258 108.233 108.800 -0.515 0.000 2.337 2009 G HA2 0.518 4.479 3.960 0.001 0.000 0.298 2009 G HA3 0.518 4.479 3.960 0.001 0.000 0.298 2009 G C -3.575 171.101 174.900 -0.373 0.000 1.335 2009 G CA -0.216 44.474 45.100 -0.684 0.000 0.875 2009 G HN 0.723 nan 8.290 nan 0.000 0.579 2010 P HA 0.251 nan 4.420 nan 0.000 0.278 2010 P C 1.303 178.600 177.300 -0.005 0.000 1.238 2010 P CA -0.048 63.027 63.100 -0.041 0.000 0.794 2010 P CB 1.754 33.468 31.700 0.023 0.000 0.955 2011 C N 3.110 122.453 119.300 0.071 0.000 2.388 2011 C HA -0.018 4.443 4.460 0.001 0.000 0.277 2011 C C 1.311 176.384 174.990 0.138 0.000 1.210 2011 C CA 1.756 60.839 59.018 0.108 0.000 1.743 2011 C CB -1.399 26.421 27.740 0.133 0.000 2.047 2011 C HN 0.700 nan 8.230 nan 0.000 0.458 2012 A N -0.547 122.389 122.820 0.192 0.000 2.355 2012 A HA 0.699 5.019 4.320 0.001 0.000 0.324 2012 A C -0.341 177.424 177.584 0.303 0.000 1.117 2012 A CA -0.591 51.605 52.037 0.266 0.000 0.785 2012 A CB 0.428 19.677 19.000 0.415 0.000 1.254 2012 A HN 0.470 nan 8.150 nan 0.000 0.453 2013 I N 2.471 123.254 120.570 0.355 0.000 2.352 2013 I HA 0.002 4.173 4.170 0.001 0.000 0.303 2013 I C 0.869 177.289 176.117 0.505 0.000 1.194 2013 I CA 0.312 61.855 61.300 0.406 0.000 1.518 2013 I CB -0.199 38.076 38.000 0.457 0.000 1.489 2013 I HN 0.845 nan 8.210 nan 0.000 0.702 2014 E N 3.060 123.482 120.200 0.370 0.000 2.208 2014 E HA -0.065 4.286 4.350 0.001 0.000 0.193 2014 E C 0.418 177.228 176.600 0.349 0.000 0.988 2014 E CA 0.526 57.103 56.400 0.296 0.000 0.828 2014 E CB 0.146 29.887 29.700 0.068 0.000 0.763 2014 E HN 0.718 nan 8.360 nan 0.000 0.478 2015 S N -1.294 114.590 115.700 0.306 0.000 2.614 2015 S HA 0.057 4.527 4.470 0.001 0.000 0.280 2015 S C 0.165 174.918 174.600 0.254 0.000 1.111 2015 S CA -0.812 57.547 58.200 0.265 0.000 0.847 2015 S CB 1.389 64.673 63.200 0.140 0.000 1.079 2015 S HN 0.088 nan 8.310 nan 0.000 0.452 2016 E N 0.939 121.281 120.200 0.237 0.000 2.160 2016 E HA -0.223 4.128 4.350 0.001 0.000 0.195 2016 E C 1.582 178.225 176.600 0.072 0.000 0.991 2016 E CA 1.644 58.095 56.400 0.085 0.000 0.810 2016 E CB -0.153 29.521 29.700 -0.043 0.000 0.742 2016 E HN 0.739 nan 8.360 nan 0.000 0.466 2017 E N 0.264 120.510 120.200 0.077 0.000 2.023 2017 E HA -0.256 4.095 4.350 0.001 0.000 0.196 2017 E C 2.238 178.868 176.600 0.051 0.000 1.003 2017 E CA 1.441 57.873 56.400 0.053 0.000 0.809 2017 E CB -0.251 29.477 29.700 0.047 0.000 0.755 2017 E HN 0.315 nan 8.360 nan 0.000 0.449 2018 L N 1.165 122.422 121.223 0.056 0.000 2.013 2018 L HA -0.213 4.128 4.340 0.001 0.000 0.212 2018 L C 2.294 179.202 176.870 0.063 0.000 1.073 2018 L CA 1.726 56.577 54.840 0.019 0.000 0.753 2018 L CB -0.529 41.534 42.059 0.006 0.000 0.890 2018 L HN 0.287 nan 8.230 nan 0.000 0.432 2019 L N -1.177 120.125 121.223 0.131 0.000 2.079 2019 L HA -0.253 4.087 4.340 0.001 0.000 0.210 2019 L C 2.570 179.464 176.870 0.041 0.000 1.081 2019 L CA 1.505 56.461 54.840 0.192 0.000 0.752 2019 L CB -0.665 41.495 42.059 0.168 0.000 0.896 2019 L HN 0.380 nan 8.230 nan 0.000 0.433 2020 L N -0.310 120.943 121.223 0.050 0.000 2.156 2020 L HA -0.184 4.157 4.340 0.001 0.000 0.208 2020 L C 2.687 179.606 176.870 0.083 0.000 1.095 2020 L CA 1.028 55.942 54.840 0.123 0.000 0.770 2020 L CB -0.441 41.692 42.059 0.123 0.000 0.914 2020 L HN 0.263 nan 8.230 nan 0.000 0.439 2021 K N 0.398 120.819 120.400 0.036 0.000 2.025 2021 K HA -0.134 4.187 4.320 0.001 0.000 0.207 2021 K C 2.013 178.582 176.600 -0.051 0.000 1.049 2021 K CA 1.351 57.636 56.287 -0.004 0.000 0.933 2021 K CB 0.040 32.532 32.500 -0.013 0.000 0.714 2021 K HN 0.045 nan 8.250 nan 0.000 0.438 2022 V N 0.947 120.857 119.914 -0.007 0.000 2.427 2022 V HA -0.150 3.971 4.120 0.001 0.000 0.248 2022 V C 2.422 178.521 176.094 0.008 0.000 1.051 2022 V CA 2.052 64.371 62.300 0.032 0.000 1.048 2022 V CB -0.807 31.092 31.823 0.126 0.000 0.666 2022 V HN 0.634 nan 8.190 nan 0.000 0.456 2023 G N -0.792 107.950 108.800 -0.097 0.000 2.442 2023 G HA2 -0.290 3.671 3.960 0.001 0.000 0.219 2023 G HA3 -0.290 3.671 3.960 0.001 0.000 0.219 2023 G C 1.513 175.761 174.900 -1.086 0.000 1.141 2023 G CA 0.960 45.745 45.100 -0.526 0.000 0.763 2023 G HN 0.566 nan 8.290 nan 0.000 0.554 2024 E N 0.165 119.769 120.200 -0.995 0.000 2.031 2024 E HA -0.193 4.158 4.350 0.001 0.000 0.193 2024 E C 2.335 178.664 176.600 -0.452 0.000 0.994 2024 E CA 1.407 57.303 56.400 -0.838 0.000 0.800 2024 E CB -0.115 29.446 29.700 -0.231 0.000 0.752 2024 E HN 0.392 nan 8.360 nan 0.000 0.447 2025 E N 0.829 120.862 120.200 -0.279 0.000 2.077 2025 E HA -0.160 4.191 4.350 0.001 0.000 0.193 2025 E C 1.938 178.408 176.600 -0.215 0.000 0.989 2025 E CA 1.269 57.560 56.400 -0.181 0.000 0.800 2025 E CB -0.289 29.347 29.700 -0.107 0.000 0.746 2025 E HN 0.399 nan 8.360 nan 0.000 0.452 2026 I N 0.074 120.503 120.570 -0.234 0.000 2.394 2026 I HA -0.206 3.965 4.170 0.001 0.000 0.251 2026 I C 2.213 178.096 176.117 -0.389 0.000 1.136 2026 I CA 0.977 62.127 61.300 -0.251 0.000 1.425 2026 I CB -0.256 37.717 38.000 -0.046 0.000 1.079 2026 I HN 0.089 nan 8.210 nan 0.000 0.425 2027 K N 1.680 121.853 120.400 -0.379 0.000 2.026 2027 K HA -0.199 4.121 4.320 0.001 0.000 0.208 2027 K C 2.194 178.650 176.600 -0.240 0.000 1.048 2027 K CA 1.558 57.672 56.287 -0.287 0.000 0.929 2027 K CB -0.366 31.962 32.500 -0.288 0.000 0.713 2027 K HN 0.070 nan 8.250 nan 0.000 0.439 2028 R N -0.241 120.123 120.500 -0.226 0.000 2.083 2028 R HA -0.108 4.232 4.340 0.001 0.000 0.237 2028 R C 1.874 178.049 176.300 -0.208 0.000 1.137 2028 R CA 1.548 57.546 56.100 -0.170 0.000 0.951 2028 R CB -0.305 29.915 30.300 -0.133 0.000 0.851 2028 R HN 0.159 nan 8.270 nan 0.000 0.434 2029 L N 0.637 121.699 121.223 -0.268 0.000 2.131 2029 L HA -0.103 4.238 4.340 0.001 0.000 0.210 2029 L C 2.488 179.123 176.870 -0.393 0.000 1.092 2029 L CA 1.636 56.339 54.840 -0.228 0.000 0.759 2029 L CB -1.385 40.548 42.059 -0.209 0.000 0.903 2029 L HN 0.259 nan 8.230 nan 0.000 0.435 2030 S N -0.730 114.567 115.700 -0.672 0.000 2.382 2030 S HA -0.165 4.306 4.470 0.001 0.000 0.228 2030 S C 1.816 176.375 174.600 -0.069 0.000 1.027 2030 S CA 1.094 59.042 58.200 -0.419 0.000 0.991 2030 S CB 0.064 63.101 63.200 -0.272 0.000 0.823 2030 S HN 0.400 nan 8.310 nan 0.000 0.469 2031 E N 0.904 121.035 120.200 -0.115 0.000 2.158 2031 E HA -0.017 4.334 4.350 0.001 0.000 0.191 2031 E C 1.965 178.502 176.600 -0.105 0.000 0.982 2031 E CA 0.676 57.034 56.400 -0.070 0.000 0.823 2031 E CB -0.218 29.437 29.700 -0.075 0.000 0.766 2031 E HN 0.597 nan 8.360 nan 0.000 0.468 2032 K N -0.338 119.938 120.400 -0.207 0.000 2.137 2032 K HA 0.003 4.324 4.320 0.001 0.000 0.202 2032 K C 0.054 176.361 176.600 -0.487 0.000 1.052 2032 K CA 0.476 56.511 56.287 -0.421 0.000 0.961 2032 K CB 0.191 32.287 32.500 -0.672 0.000 0.741 2032 K HN -0.061 nan 8.250 nan 0.000 0.452 2033 F N 1.747 121.776 119.950 0.132 0.000 2.334 2033 F HA 0.301 4.829 4.527 0.001 0.000 0.343 2033 F C 0.684 176.627 175.800 0.239 0.000 1.136 2033 F CA -0.850 57.278 58.000 0.213 0.000 1.237 2033 F CB 1.262 40.467 39.000 0.343 0.000 1.525 2033 F HN -0.225 nan 8.300 nan 0.000 0.528 2034 K N 1.287 121.832 120.400 0.241 0.000 2.280 2034 K HA -0.169 4.152 4.320 0.001 0.000 0.202 2034 K C 1.542 178.261 176.600 0.198 0.000 1.047 2034 K CA 1.118 57.520 56.287 0.192 0.000 0.942 2034 K CB -0.028 32.536 32.500 0.108 0.000 0.739 2034 K HN 0.693 nan 8.250 nan 0.000 0.457 2035 E N 0.290 120.616 120.200 0.211 0.000 2.427 2035 E HA -0.010 4.340 4.350 0.001 0.000 0.196 2035 E C 0.221 176.930 176.600 0.181 0.000 1.028 2035 E CA 0.226 56.728 56.400 0.170 0.000 0.864 2035 E CB 0.117 29.907 29.700 0.150 0.000 0.813 2035 E HN -0.170 nan 8.360 nan 0.000 0.514 2036 V N 1.871 121.920 119.914 0.224 0.000 2.427 2036 V HA 0.116 4.236 4.120 0.001 0.000 0.286 2036 V C -0.157 175.990 176.094 0.088 0.000 1.034 2036 V CA -0.742 61.624 62.300 0.111 0.000 0.893 2036 V CB 1.527 33.315 31.823 -0.059 0.000 0.982 2036 V HN 0.178 nan 8.190 nan 0.000 0.452 2037 E N 3.982 124.173 120.200 -0.015 0.000 2.044 2037 E HA 0.312 4.663 4.350 0.001 0.000 0.282 2037 E C -1.272 175.277 176.600 -0.084 0.000 1.031 2037 E CA -0.444 55.974 56.400 0.030 0.000 0.824 2037 E CB 0.426 30.137 29.700 0.017 0.000 1.076 2037 E HN 0.501 nan 8.360 nan 0.000 0.395 2038 F N 3.034 123.008 119.950 0.040 0.000 2.396 2038 F HA 0.249 4.776 4.527 0.001 0.000 0.343 2038 F C 0.128 175.934 175.800 0.010 0.000 1.104 2038 F CA -0.454 57.557 58.000 0.018 0.000 1.161 2038 F CB 1.312 40.340 39.000 0.047 0.000 1.146 2038 F HN 0.127 nan 8.300 nan 0.000 0.522 2039 V N 4.623 124.608 119.914 0.118 0.000 2.483 2039 V HA 0.230 4.351 4.120 0.001 0.000 0.297 2039 V C -0.740 175.399 176.094 0.076 0.000 1.027 2039 V CA -1.048 61.298 62.300 0.076 0.000 0.855 2039 V CB 1.585 33.386 31.823 -0.036 0.000 0.995 2039 V HN 0.534 nan 8.190 nan 0.000 0.424 2040 F N 5.861 125.817 119.950 0.010 0.000 2.438 2040 F HA 0.524 5.052 4.527 0.001 0.000 0.356 2040 F C 0.263 176.044 175.800 -0.032 0.000 1.099 2040 F CA 0.215 58.207 58.000 -0.014 0.000 1.185 2040 F CB 0.500 39.505 39.000 0.008 0.000 1.115 2040 F HN 0.392 nan 8.300 nan 0.000 0.526 2041 K N 4.802 124.823 120.400 -0.632 0.000 2.316 2041 K HA 0.607 4.927 4.320 0.001 0.000 0.251 2041 K C -1.667 174.667 176.600 -0.443 0.000 0.934 2041 K CA -0.446 55.608 56.287 -0.389 0.000 0.802 2041 K CB 1.861 34.121 32.500 -0.400 0.000 1.171 2041 K HN 0.683 nan 8.250 nan 0.000 0.426 2042 S N 1.224 116.863 115.700 -0.102 0.000 2.560 2042 S HA 0.305 4.775 4.470 0.001 0.000 0.283 2042 S C -1.700 172.971 174.600 0.119 0.000 1.141 2042 S CA -0.524 57.687 58.200 0.018 0.000 0.902 2042 S CB 1.100 64.382 63.200 0.137 0.000 1.104 2042 S HN 0.514 nan 8.310 nan 0.000 0.454 2043 S N 3.367 119.129 115.700 0.103 0.000 2.489 2043 S HA 0.342 4.813 4.470 0.001 0.000 0.277 2043 S C 0.870 175.529 174.600 0.099 0.000 1.230 2043 S CA -0.564 57.656 58.200 0.033 0.000 1.053 2043 S CB 0.168 63.364 63.200 -0.006 0.000 0.955 2043 S HN 0.668 nan 8.310 nan 0.000 0.488 2044 F N 0.729 120.785 119.950 0.176 0.000 2.661 2044 F HA 0.399 4.927 4.527 0.001 0.000 0.298 2044 F C 0.449 176.311 175.800 0.103 0.000 1.137 2044 F CA -0.309 57.797 58.000 0.178 0.000 1.454 2044 F CB -0.039 39.064 39.000 0.172 0.000 1.103 2044 F HN 0.436 nan 8.300 nan 0.000 0.577 2045 D N 0.301 120.498 120.400 -0.338 0.000 2.966 2045 D HA 0.230 4.871 4.640 0.001 0.000 0.222 2045 D C -1.460 174.629 176.300 -0.352 0.000 1.292 2045 D CA -0.630 53.191 54.000 -0.298 0.000 0.907 2045 D CB 1.231 41.860 40.800 -0.285 0.000 1.621 2045 D HN -0.184 nan 8.370 nan 0.000 0.557 2046 K N 3.100 123.340 120.400 -0.268 0.000 2.244 2046 K HA 0.496 4.816 4.320 0.001 0.000 0.263 2046 K C 0.537 176.988 176.600 -0.248 0.000 1.103 2046 K CA -0.334 55.842 56.287 -0.184 0.000 0.966 2046 K CB 0.931 33.388 32.500 -0.072 0.000 1.429 2046 K HN 0.477 nan 8.250 nan 0.000 0.434 2047 A N 2.932 125.518 122.820 -0.390 0.000 2.119 2047 A HA -0.105 4.215 4.320 0.001 0.000 0.217 2047 A C 0.756 178.263 177.584 -0.128 0.000 1.153 2047 A CA 0.827 52.652 52.037 -0.353 0.000 0.692 2047 A CB -0.287 18.335 19.000 -0.630 0.000 0.799 2047 A HN 0.757 nan 8.150 nan 0.000 0.458 2048 N N -0.523 118.150 118.700 -0.044 0.000 2.610 2048 N HA 0.120 4.861 4.740 0.001 0.000 0.307 2048 N C -0.864 174.667 175.510 0.035 0.000 1.813 2048 N CA -0.619 52.445 53.050 0.022 0.000 0.901 2048 N CB 0.605 39.169 38.487 0.128 0.000 1.354 2048 N HN -0.026 nan 8.380 nan 0.000 0.491 2049 R N 0.627 121.126 120.500 -0.002 0.000 2.679 2049 R HA 0.135 4.476 4.340 0.001 0.000 0.268 2049 R C 1.198 177.503 176.300 0.009 0.000 1.044 2049 R CA -0.024 56.086 56.100 0.015 0.000 1.105 2049 R CB 0.520 30.822 30.300 0.002 0.000 0.989 2049 R HN 0.232 nan 8.270 nan 0.000 0.447 2050 S N 0.617 116.332 115.700 0.024 0.000 2.359 2050 S HA -0.120 4.351 4.470 0.001 0.000 0.224 2050 S C 1.049 175.639 174.600 -0.018 0.000 1.035 2050 S CA 1.273 59.478 58.200 0.009 0.000 1.018 2050 S CB -0.026 63.188 63.200 0.023 0.000 0.876 2050 S HN 0.644 nan 8.310 nan 0.000 0.448 2051 S N 0.137 115.830 115.700 -0.012 0.000 2.508 2051 S HA 0.340 4.811 4.470 0.001 0.000 0.284 2051 S C 0.792 175.338 174.600 -0.090 0.000 1.192 2051 S CA -0.694 57.480 58.200 -0.043 0.000 1.070 2051 S CB 0.871 64.077 63.200 0.010 0.000 1.004 2051 S HN 0.193 nan 8.310 nan 0.000 0.493 2052 I N 4.604 125.053 120.570 -0.202 0.000 2.454 2052 I HA -0.088 4.083 4.170 0.001 0.000 0.254 2052 I C 1.373 177.357 176.117 -0.222 0.000 1.156 2052 I CA 1.886 63.038 61.300 -0.247 0.000 1.433 2052 I CB -0.384 37.407 38.000 -0.349 0.000 1.082 2052 I HN 0.862 nan 8.210 nan 0.000 0.432 2053 H N -1.139 117.931 119.070 0.001 0.000 2.539 2053 H HA 0.274 4.831 4.556 0.002 0.000 0.267 2053 H C 1.060 176.403 175.328 0.025 0.000 0.982 2053 H CA -0.107 55.947 56.048 0.010 0.000 1.146 2053 H CB 0.088 29.857 29.762 0.012 0.000 1.382 2053 H HN 0.195 nan 8.280 nan 0.000 0.577 2054 S N 0.332 116.090 115.700 0.097 0.000 2.669 2054 S HA 0.110 4.580 4.470 0.001 0.000 0.270 2054 S C -0.307 174.355 174.600 0.104 0.000 1.225 2054 S CA -0.815 57.450 58.200 0.108 0.000 0.991 2054 S CB 0.739 63.988 63.200 0.083 0.000 0.987 2054 S HN 0.244 nan 8.310 nan 0.000 0.552 2055 F N 1.855 121.802 119.950 -0.005 0.000 2.541 2055 F HA 0.208 4.736 4.527 0.001 0.000 0.378 2055 F C 1.268 177.040 175.800 -0.046 0.000 1.068 2055 F CA 0.182 58.162 58.000 -0.033 0.000 1.199 2055 F CB 0.349 39.331 39.000 -0.030 0.000 1.091 2055 F HN 0.537 nan 8.300 nan 0.000 0.555 2056 R N 3.410 123.424 120.500 -0.810 0.000 2.167 2056 R HA 0.455 4.795 4.340 0.001 0.000 0.201 2056 R C 0.673 176.382 176.300 -0.985 0.000 1.024 2056 R CA 0.235 55.938 56.100 -0.661 0.000 1.053 2056 R CB 0.233 30.303 30.300 -0.383 0.000 0.987 2056 R HN 0.905 nan 8.270 nan 0.000 0.493 2057 G N -0.645 107.237 108.800 -1.530 0.000 2.340 2057 G HA2 -0.089 3.872 3.960 0.001 0.000 0.282 2057 G HA3 -0.089 3.872 3.960 0.001 0.000 0.282 2057 G C -1.089 173.415 174.900 -0.660 0.000 1.312 2057 G CA -0.823 43.670 45.100 -1.012 0.000 0.942 2057 G HN 0.319 nan 8.290 nan 0.000 0.495 2058 H N 0.171 119.207 119.070 -0.057 0.000 2.592 2058 H HA 0.521 5.078 4.556 0.001 0.000 0.279 2058 H C 1.032 176.369 175.328 0.015 0.000 1.089 2058 H CA 0.955 56.940 56.048 -0.106 0.000 1.150 2058 H CB 0.843 30.335 29.762 -0.450 0.000 1.575 2058 H HN 1.777 nan 8.280 nan 0.000 0.547 2059 G N 0.301 109.215 108.800 0.189 0.000 2.629 2059 G HA2 -0.206 3.755 3.960 0.001 0.000 0.686 2059 G HA3 -0.206 3.755 3.960 0.001 0.000 0.686 2059 G C 0.106 175.161 174.900 0.258 0.000 1.232 2059 G CA -0.327 44.908 45.100 0.225 0.000 0.803 2059 G HN 0.165 nan 8.290 nan 0.000 0.638 2060 L N 0.623 121.914 121.223 0.113 0.000 1.994 2060 L HA 0.106 4.447 4.340 0.001 0.000 0.208 2060 L C 2.463 179.250 176.870 -0.137 0.000 1.071 2060 L CA 3.085 57.735 54.840 -0.317 0.000 0.745 2060 L CB -1.090 40.724 42.059 -0.409 0.000 0.892 2060 L HN 0.851 nan 8.230 nan 0.000 0.431 2061 E N -1.441 118.769 120.200 0.017 0.000 2.049 2061 E HA -0.328 4.022 4.350 0.001 0.000 0.198 2061 E C 2.171 178.824 176.600 0.090 0.000 1.007 2061 E CA 2.050 58.477 56.400 0.046 0.000 0.809 2061 E CB -0.483 29.266 29.700 0.082 0.000 0.749 2061 E HN 0.650 nan 8.360 nan 0.000 0.450 2062 Y N 0.672 121.002 120.300 0.049 0.000 2.224 2062 Y HA -0.184 4.367 4.550 0.001 0.000 0.289 2062 Y C 2.178 178.133 175.900 0.092 0.000 1.146 2062 Y CA 1.748 59.892 58.100 0.073 0.000 1.182 2062 Y CB -0.463 38.065 38.460 0.114 0.000 0.983 2062 Y HN 0.026 nan 8.280 nan 0.000 0.524 2063 G N -0.504 108.504 108.800 0.347 0.000 2.433 2063 G HA2 -0.247 3.714 3.960 0.001 0.000 0.216 2063 G HA3 -0.247 3.714 3.960 0.001 0.000 0.216 2063 G C 1.670 176.642 174.900 0.121 0.000 1.186 2063 G CA 1.285 46.572 45.100 0.311 0.000 0.779 2063 G HN 0.343 nan 8.290 nan 0.000 0.543 2064 V N 0.837 120.756 119.914 0.009 0.000 2.490 2064 V HA -0.162 3.959 4.120 0.001 0.000 0.250 2064 V C 2.688 178.764 176.094 -0.030 0.000 1.061 2064 V CA 2.270 64.558 62.300 -0.019 0.000 1.064 2064 V CB -0.340 31.440 31.823 -0.072 0.000 0.670 2064 V HN 0.450 nan 8.190 nan 0.000 0.461 2065 K N 0.274 120.632 120.400 -0.071 0.000 2.002 2065 K HA -0.180 4.141 4.320 0.001 0.000 0.209 2065 K C 2.225 178.737 176.600 -0.147 0.000 1.048 2065 K CA 1.648 57.862 56.287 -0.122 0.000 0.930 2065 K CB -0.368 32.021 32.500 -0.184 0.000 0.714 2065 K HN 0.411 nan 8.250 nan 0.000 0.438 2066 A N 1.197 123.897 122.820 -0.201 0.000 1.933 2066 A HA -0.119 4.201 4.320 0.001 0.000 0.218 2066 A C 2.119 179.673 177.584 -0.049 0.000 1.175 2066 A CA 1.309 53.256 52.037 -0.151 0.000 0.628 2066 A CB -0.608 18.316 19.000 -0.128 0.000 0.814 2066 A HN 0.346 nan 8.150 nan 0.000 0.444 2067 L N -1.244 119.990 121.223 0.018 0.000 2.141 2067 L HA -0.137 4.204 4.340 0.001 0.000 0.209 2067 L C 2.732 179.599 176.870 -0.006 0.000 1.094 2067 L CA 1.475 56.345 54.840 0.051 0.000 0.763 2067 L CB -0.374 41.764 42.059 0.133 0.000 0.908 2067 L HN 0.456 nan 8.230 nan 0.000 0.437 2068 R N 0.580 121.065 120.500 -0.025 0.000 2.075 2068 R HA -0.214 4.127 4.340 0.001 0.000 0.232 2068 R C 2.328 178.588 176.300 -0.065 0.000 1.126 2068 R CA 1.453 57.531 56.100 -0.037 0.000 0.963 2068 R CB 0.009 30.283 30.300 -0.043 0.000 0.858 2068 R HN 0.009 nan 8.270 nan 0.000 0.435 2069 K N 0.007 120.355 120.400 -0.088 0.000 2.063 2069 K HA -0.088 4.233 4.320 0.001 0.000 0.208 2069 K C 1.750 178.273 176.600 -0.128 0.000 1.048 2069 K CA 1.572 57.791 56.287 -0.113 0.000 0.928 2069 K CB -0.272 32.158 32.500 -0.118 0.000 0.713 2069 K HN 0.065 nan 8.250 nan 0.000 0.442 2070 V N 1.082 120.927 119.914 -0.115 0.000 2.270 2070 V HA -0.222 3.898 4.120 0.001 0.000 0.245 2070 V C 2.418 178.489 176.094 -0.038 0.000 1.043 2070 V CA 2.142 64.378 62.300 -0.106 0.000 1.014 2070 V CB -0.503 31.074 31.823 -0.411 0.000 0.645 2070 V HN 0.446 nan 8.190 nan 0.000 0.447 2071 K N 0.038 120.410 120.400 -0.046 0.000 2.147 2071 K HA -0.259 4.062 4.320 0.001 0.000 0.205 2071 K C 2.178 178.762 176.600 -0.026 0.000 1.049 2071 K CA 2.022 58.307 56.287 -0.003 0.000 0.936 2071 K CB -0.076 32.431 32.500 0.011 0.000 0.722 2071 K HN 0.649 nan 8.250 nan 0.000 0.446 2072 E N 0.597 120.755 120.200 -0.071 0.000 2.033 2072 E HA -0.213 4.138 4.350 0.001 0.000 0.189 2072 E C 1.891 178.392 176.600 -0.166 0.000 0.979 2072 E CA 1.036 57.378 56.400 -0.096 0.000 0.802 2072 E CB -0.028 29.611 29.700 -0.101 0.000 0.763 2072 E HN 0.372 nan 8.360 nan 0.000 0.449 2073 E N -1.163 118.865 120.200 -0.286 0.000 2.153 2073 E HA -0.146 4.205 4.350 0.001 0.000 0.194 2073 E C 0.957 177.143 176.600 -0.690 0.000 0.988 2073 E CA 1.095 57.158 56.400 -0.561 0.000 0.811 2073 E CB 0.087 29.287 29.700 -0.834 0.000 0.746 2073 E HN 0.304 nan 8.360 nan 0.000 0.466 2074 F N -1.598 118.297 119.950 -0.090 0.000 2.706 2074 F HA 0.349 4.876 4.527 0.001 0.000 0.313 2074 F C 1.249 177.018 175.800 -0.051 0.000 1.096 2074 F CA 0.296 58.249 58.000 -0.078 0.000 1.219 2074 F CB 1.150 40.087 39.000 -0.106 0.000 1.051 2074 F HN 0.045 nan 8.300 nan 0.000 0.568 2075 G N 1.793 110.644 108.800 0.085 0.000 2.225 2075 G HA2 -0.312 3.649 3.960 0.001 0.000 0.267 2075 G HA3 -0.312 3.649 3.960 0.001 0.000 0.267 2075 G C 0.056 175.010 174.900 0.090 0.000 1.024 2075 G CA 0.048 45.187 45.100 0.065 0.000 0.784 2075 G HN 0.306 nan 8.290 nan 0.000 0.507 2076 L N -0.259 121.031 121.223 0.110 0.000 2.334 2076 L HA 0.404 4.745 4.340 0.001 0.000 0.277 2076 L C 1.198 178.137 176.870 0.116 0.000 1.075 2076 L CA -0.800 54.112 54.840 0.120 0.000 0.804 2076 L CB 0.941 43.075 42.059 0.125 0.000 1.174 2076 L HN 0.044 nan 8.230 nan 0.000 0.438 2077 K N 2.494 122.969 120.400 0.126 0.000 2.276 2077 K HA 0.378 4.698 4.320 0.001 0.000 0.259 2077 K C -0.610 176.073 176.600 0.139 0.000 1.001 2077 K CA -0.325 56.028 56.287 0.110 0.000 0.927 2077 K CB 0.809 33.365 32.500 0.094 0.000 0.969 2077 K HN 0.305 nan 8.250 nan 0.000 0.490 2078 I N 0.625 121.267 120.570 0.120 0.000 2.785 2078 I HA 0.290 4.461 4.170 0.001 0.000 0.302 2078 I C -0.002 176.180 176.117 0.108 0.000 1.069 2078 I CA -0.417 60.973 61.300 0.151 0.000 1.045 2078 I CB 1.909 39.996 38.000 0.144 0.000 1.236 2078 I HN 0.565 nan 8.210 nan 0.000 0.429 2079 T N 2.632 117.251 114.554 0.108 0.000 3.041 2079 T HA 0.599 4.950 4.350 0.001 0.000 0.321 2079 T C -1.059 173.695 174.700 0.089 0.000 1.184 2079 T CA -0.201 61.942 62.100 0.072 0.000 1.050 2079 T CB 1.562 70.443 68.868 0.021 0.000 1.159 2079 T HN 0.852 nan 8.240 nan 0.000 0.469 2080 T N 2.387 117.001 114.554 0.099 0.000 2.821 2080 T HA 0.572 4.923 4.350 0.001 0.000 0.306 2080 T C -1.999 172.731 174.700 0.050 0.000 1.313 2080 T CA -0.713 61.456 62.100 0.115 0.000 1.012 2080 T CB 1.476 70.497 68.868 0.254 0.000 1.298 2080 T HN 0.785 nan 8.240 nan 0.000 0.502 2081 D N 2.628 122.991 120.400 -0.062 0.000 2.193 2081 D HA 0.498 5.139 4.640 0.001 0.000 0.249 2081 D C 0.326 176.383 176.300 -0.406 0.000 1.034 2081 D CA -0.644 53.225 54.000 -0.218 0.000 0.902 2081 D CB 1.014 41.653 40.800 -0.268 0.000 1.182 2081 D HN 0.763 nan 8.370 nan 0.000 0.436 2082 I N -2.050 118.282 120.570 -0.396 0.000 2.707 2082 I HA 0.478 4.648 4.170 0.001 0.000 0.309 2082 I C -0.303 175.398 176.117 -0.694 0.000 1.001 2082 I CA -0.918 60.157 61.300 -0.375 0.000 1.129 2082 I CB 1.685 39.597 38.000 -0.147 0.000 1.308 2082 I HN 0.312 nan 8.210 nan 0.000 0.466 2083 H N 0.384 119.400 119.070 -0.091 0.000 3.255 2083 H HA 0.441 4.997 4.556 0.001 0.000 0.256 2083 H C -0.559 174.736 175.328 -0.055 0.000 1.049 2083 H CA -0.179 55.828 56.048 -0.069 0.000 1.202 2083 H CB 0.790 30.517 29.762 -0.059 0.000 1.497 2083 H HN 0.607 nan 8.280 nan 0.000 0.503 2084 E N -0.501 119.660 120.200 -0.064 0.000 2.390 2084 E HA 0.269 4.619 4.350 0.001 0.000 0.277 2084 E C 0.059 176.556 176.600 -0.171 0.000 0.939 2084 E CA -0.297 56.076 56.400 -0.046 0.000 0.769 2084 E CB 2.423 32.187 29.700 0.106 0.000 1.251 2084 E HN -0.037 nan 8.360 nan 0.000 0.450 2085 S N 1.371 117.070 115.700 -0.002 0.000 2.380 2085 S HA -0.185 4.285 4.470 0.001 0.000 0.229 2085 S C 1.573 176.195 174.600 0.037 0.000 1.043 2085 S CA 1.867 60.083 58.200 0.027 0.000 1.038 2085 S CB -0.282 62.978 63.200 0.100 0.000 0.872 2085 S HN 0.733 nan 8.310 nan 0.000 0.456 2086 W N 1.884 123.218 121.300 0.057 0.000 2.421 2086 W HA -0.080 4.581 4.660 0.001 0.000 0.270 2086 W C 1.156 177.706 176.519 0.051 0.000 1.233 2086 W CA 0.764 58.138 57.345 0.048 0.000 1.226 2086 W CB -0.823 28.663 29.460 0.044 0.000 1.121 2086 W HN 0.413 nan 8.180 nan 0.000 0.579 2087 Q N 0.835 120.210 119.800 -0.708 0.000 2.378 2087 Q HA 0.046 4.387 4.340 0.001 0.000 0.205 2087 Q C 2.644 178.509 176.000 -0.225 0.000 0.954 2087 Q CA 1.031 56.435 55.803 -0.665 0.000 0.901 2087 Q CB -0.232 28.011 28.738 -0.825 0.000 0.981 2087 Q HN 0.300 nan 8.270 nan 0.000 0.483 2088 A N 1.763 124.507 122.820 -0.126 0.000 1.859 2088 A HA -0.255 4.066 4.320 0.001 0.000 0.217 2088 A C 2.028 179.606 177.584 -0.011 0.000 1.198 2088 A CA 1.483 53.492 52.037 -0.045 0.000 0.629 2088 A CB -0.394 18.598 19.000 -0.014 0.000 0.830 2088 A HN 0.170 nan 8.150 nan 0.000 0.446 2089 E N -0.541 119.670 120.200 0.019 0.000 2.033 2089 E HA -0.151 4.200 4.350 0.001 0.000 0.199 2089 E C -0.015 176.599 176.600 0.024 0.000 1.011 2089 E CA 1.946 58.366 56.400 0.034 0.000 0.815 2089 E CB -1.503 28.232 29.700 0.059 0.000 0.755 2089 E HN 0.531 nan 8.360 nan 0.000 0.451 2090 P HA -0.098 nan 4.420 nan 0.000 0.216 2090 P C 1.809 179.092 177.300 -0.030 0.000 1.150 2090 P CA 1.037 64.143 63.100 0.009 0.000 0.837 2090 P CB -0.000 31.718 31.700 0.031 0.000 0.786 2091 V N 0.853 120.734 119.914 -0.054 0.000 2.427 2091 V HA -0.168 3.952 4.120 0.001 0.000 0.248 2091 V C 2.756 178.855 176.094 0.008 0.000 1.051 2091 V CA 1.967 64.245 62.300 -0.038 0.000 1.048 2091 V CB -1.618 30.200 31.823 -0.009 0.000 0.666 2091 V HN 0.098 nan 8.190 nan 0.000 0.456 2092 A N -0.421 122.406 122.820 0.012 0.000 2.178 2092 A HA -0.177 4.144 4.320 0.001 0.000 0.218 2092 A C 2.062 179.660 177.584 0.023 0.000 1.157 2092 A CA 1.300 53.352 52.037 0.024 0.000 0.689 2092 A CB -0.332 18.683 19.000 0.023 0.000 0.787 2092 A HN 0.605 nan 8.150 nan 0.000 0.465 2093 E N -0.413 119.796 120.200 0.016 0.000 2.150 2093 E HA -0.086 4.265 4.350 0.001 0.000 0.193 2093 E C 1.534 178.144 176.600 0.017 0.000 0.985 2093 E CA 1.518 57.927 56.400 0.014 0.000 0.814 2093 E CB -0.134 29.570 29.700 0.007 0.000 0.752 2093 E HN 0.501 nan 8.360 nan 0.000 0.466 2094 V N -0.019 119.908 119.914 0.022 0.000 3.572 2094 V HA 0.231 4.352 4.120 0.001 0.000 0.260 2094 V C 0.770 176.895 176.094 0.052 0.000 1.324 2094 V CA 0.365 62.684 62.300 0.032 0.000 1.068 2094 V CB 0.596 32.436 31.823 0.028 0.000 0.837 2094 V HN 0.064 nan 8.190 nan 0.000 0.450 2095 A N 0.546 123.400 122.820 0.057 0.000 2.309 2095 A HA 0.295 4.615 4.320 0.001 0.000 0.290 2095 A C 0.828 178.449 177.584 0.062 0.000 1.206 2095 A CA -0.188 51.892 52.037 0.071 0.000 0.850 2095 A CB 0.034 19.080 19.000 0.077 0.000 1.118 2095 A HN 0.343 nan 8.150 nan 0.000 0.523 2096 D N 1.626 122.067 120.400 0.067 0.000 2.234 2096 D HA 0.040 4.680 4.640 0.001 0.000 0.205 2096 D C 0.154 176.497 176.300 0.072 0.000 0.962 2096 D CA 1.463 55.502 54.000 0.066 0.000 0.855 2096 D CB 0.267 41.108 40.800 0.068 0.000 0.951 2096 D HN 0.578 nan 8.370 nan 0.000 0.500 2097 I N 1.339 121.949 120.570 0.066 0.000 2.499 2097 I HA 0.270 4.441 4.170 0.001 0.000 0.288 2097 I C -0.455 175.697 176.117 0.058 0.000 1.048 2097 I CA -0.635 60.707 61.300 0.069 0.000 1.062 2097 I CB 2.826 40.846 38.000 0.034 0.000 1.238 2097 I HN -0.313 nan 8.210 nan 0.000 0.426 2098 I N 5.461 126.066 120.570 0.058 0.000 2.342 2098 I HA 0.222 4.393 4.170 0.001 0.000 0.291 2098 I C 0.087 176.216 176.117 0.021 0.000 1.010 2098 I CA -0.261 61.061 61.300 0.037 0.000 1.308 2098 I CB 1.370 39.387 38.000 0.028 0.000 1.400 2098 I HN 0.599 nan 8.210 nan 0.000 0.488 2099 Q N 6.754 126.551 119.800 -0.004 0.000 2.278 2099 Q HA 0.394 4.734 4.340 0.001 0.000 0.257 2099 Q C -1.101 174.845 176.000 -0.090 0.000 0.928 2099 Q CA -0.732 55.051 55.803 -0.033 0.000 0.932 2099 Q CB 1.351 30.079 28.738 -0.017 0.000 1.221 2099 Q HN 0.491 nan 8.270 nan 0.000 0.434 2100 I N 6.896 127.415 120.570 -0.085 0.000 2.312 2100 I HA 0.313 4.483 4.170 0.001 0.000 0.290 2100 I C -2.150 173.887 176.117 -0.133 0.000 1.008 2100 I CA -2.521 58.718 61.300 -0.102 0.000 1.226 2100 I CB 0.768 38.734 38.000 -0.056 0.000 1.371 2100 I HN 0.518 nan 8.210 nan 0.000 0.468 2101 P HA 0.010 nan 4.420 nan 0.000 0.266 2101 P C 0.689 177.893 177.300 -0.160 0.000 1.193 2101 P CA 0.168 63.169 63.100 -0.165 0.000 0.770 2101 P CB 0.865 32.517 31.700 -0.080 0.000 0.836 2102 A N 2.586 125.227 122.820 -0.298 0.000 1.892 2102 A HA -0.225 4.096 4.320 0.001 0.000 0.218 2102 A C 1.672 179.178 177.584 -0.129 0.000 1.188 2102 A CA 1.765 53.599 52.037 -0.337 0.000 0.631 2102 A CB -1.637 17.034 19.000 -0.548 0.000 0.822 2102 A HN 0.515 nan 8.150 nan 0.000 0.447 2103 F N -0.306 119.676 119.950 0.053 0.000 2.365 2103 F HA 0.021 4.549 4.527 0.001 0.000 0.300 2103 F C 1.597 177.501 175.800 0.172 0.000 1.090 2103 F CA 0.578 58.695 58.000 0.194 0.000 1.408 2103 F CB -0.373 38.693 39.000 0.110 0.000 1.060 2103 F HN 0.101 nan 8.300 nan 0.000 0.534 2104 L N -0.623 120.746 121.223 0.243 0.000 2.728 2104 L HA 0.089 4.430 4.340 0.001 0.000 0.238 2104 L C 1.939 178.874 176.870 0.108 0.000 1.143 2104 L CA -0.035 54.897 54.840 0.152 0.000 0.937 2104 L CB -0.718 41.394 42.059 0.089 0.000 1.225 2104 L HN 0.249 nan 8.230 nan 0.000 0.507 2105 C N -1.440 117.930 119.300 0.118 0.000 2.430 2105 C HA 0.035 4.496 4.460 0.001 0.000 0.288 2105 C C 2.081 177.124 174.990 0.088 0.000 1.448 2105 C CA 0.467 59.521 59.018 0.061 0.000 1.784 2105 C CB -1.683 26.052 27.740 -0.008 0.000 1.776 2105 C HN 0.543 nan 8.230 nan 0.000 0.547 2106 G N -0.929 107.956 108.800 0.142 0.000 3.159 2106 G HA2 0.179 4.140 3.960 0.001 0.000 0.232 2106 G HA3 0.179 4.140 3.960 0.001 0.000 0.232 2106 G C 0.599 175.529 174.900 0.051 0.000 1.116 2106 G CA -0.093 45.066 45.100 0.098 0.000 0.767 2106 G HN 0.537 nan 8.290 nan 0.000 0.547 2107 Q N 1.459 121.290 119.800 0.052 0.000 2.381 2107 Q HA 0.160 4.500 4.340 0.001 0.000 0.243 2107 Q C 1.319 177.333 176.000 0.025 0.000 1.154 2107 Q CA -0.003 55.820 55.803 0.034 0.000 0.899 2107 Q CB 0.603 29.366 28.738 0.041 0.000 1.396 2107 Q HN 0.171 nan 8.270 nan 0.000 0.485 2108 T N 1.497 116.060 114.554 0.014 0.000 2.653 2108 T HA -0.195 4.155 4.350 0.001 0.000 0.268 2108 T C 0.944 175.660 174.700 0.026 0.000 1.035 2108 T CA 1.792 63.897 62.100 0.009 0.000 1.154 2108 T CB 0.067 68.928 68.868 -0.012 0.000 0.862 2108 T HN 0.478 nan 8.240 nan 0.000 0.441 2109 D N 0.634 121.052 120.400 0.030 0.000 2.144 2109 D HA -0.035 4.605 4.640 0.001 0.000 0.199 2109 D C 2.027 178.352 176.300 0.042 0.000 0.984 2109 D CA 0.541 54.567 54.000 0.043 0.000 0.834 2109 D CB -0.434 40.395 40.800 0.049 0.000 0.955 2109 D HN 0.185 nan 8.370 nan 0.000 0.465 2110 L N 0.530 121.772 121.223 0.032 0.000 2.056 2110 L HA -0.079 4.262 4.340 0.001 0.000 0.207 2110 L C 2.208 179.088 176.870 0.016 0.000 1.078 2110 L CA 1.260 56.110 54.840 0.017 0.000 0.749 2110 L CB -0.463 41.601 42.059 0.008 0.000 0.901 2110 L HN -0.002 nan 8.230 nan 0.000 0.433 2111 L N -1.445 119.792 121.223 0.023 0.000 2.046 2111 L HA -0.234 4.107 4.340 0.001 0.000 0.208 2111 L C 2.464 179.360 176.870 0.044 0.000 1.077 2111 L CA 1.211 56.067 54.840 0.028 0.000 0.747 2111 L CB -0.603 41.473 42.059 0.029 0.000 0.896 2111 L HN 0.272 nan 8.230 nan 0.000 0.432 2112 L N -0.381 120.876 121.223 0.057 0.000 2.056 2112 L HA -0.165 4.176 4.340 0.001 0.000 0.207 2112 L C 2.848 179.753 176.870 0.059 0.000 1.078 2112 L CA 1.097 55.983 54.840 0.078 0.000 0.749 2112 L CB -0.732 41.388 42.059 0.101 0.000 0.901 2112 L HN 0.238 nan 8.230 nan 0.000 0.433 2113 A N -0.098 122.750 122.820 0.048 0.000 2.015 2113 A HA -0.079 4.242 4.320 0.001 0.000 0.219 2113 A C 2.490 180.091 177.584 0.028 0.000 1.163 2113 A CA 1.533 53.594 52.037 0.040 0.000 0.646 2113 A CB -0.478 18.544 19.000 0.038 0.000 0.806 2113 A HN 0.402 nan 8.150 nan 0.000 0.448 2114 A N -0.106 122.728 122.820 0.023 0.000 1.872 2114 A HA 0.271 4.592 4.320 0.001 0.000 0.214 2114 A C 2.495 180.097 177.584 0.029 0.000 1.187 2114 A CA 1.708 53.757 52.037 0.019 0.000 0.614 2114 A CB -1.007 18.001 19.000 0.014 0.000 0.826 2114 A HN 0.974 nan 8.150 nan 0.000 0.442 2115 A N -0.043 122.798 122.820 0.035 0.000 1.933 2115 A HA -0.180 4.141 4.320 0.001 0.000 0.218 2115 A C 2.121 179.720 177.584 0.026 0.000 1.175 2115 A CA 2.018 54.076 52.037 0.034 0.000 0.628 2115 A CB -0.486 18.540 19.000 0.044 0.000 0.814 2115 A HN 0.551 nan 8.150 nan 0.000 0.444 2116 K N -0.059 120.358 120.400 0.028 0.000 2.103 2116 K HA -0.174 4.147 4.320 0.001 0.000 0.207 2116 K C 1.946 178.558 176.600 0.021 0.000 1.048 2116 K CA 1.955 58.255 56.287 0.022 0.000 0.930 2116 K CB -0.394 32.123 32.500 0.029 0.000 0.716 2116 K HN 0.631 nan 8.250 nan 0.000 0.444 2117 T N -2.973 111.595 114.554 0.025 0.000 3.025 2117 T HA 0.004 4.355 4.350 0.001 0.000 0.270 2117 T C 1.494 176.208 174.700 0.024 0.000 1.126 2117 T CA 1.162 63.277 62.100 0.025 0.000 1.105 2117 T CB -0.419 68.464 68.868 0.026 0.000 0.884 2117 T HN 0.485 nan 8.240 nan 0.000 0.522 2118 G N 1.325 110.138 108.800 0.022 0.000 2.234 2118 G HA2 -0.275 3.686 3.960 0.001 0.000 0.260 2118 G HA3 -0.275 3.686 3.960 0.001 0.000 0.260 2118 G C 0.467 175.385 174.900 0.030 0.000 0.987 2118 G CA 0.107 45.220 45.100 0.021 0.000 0.625 2118 G HN 0.644 nan 8.290 nan 0.000 0.532 2119 R N 0.818 121.340 120.500 0.036 0.000 2.747 2119 R HA 0.668 5.009 4.340 0.001 0.000 0.278 2119 R C 0.940 177.276 176.300 0.061 0.000 1.153 2119 R CA 0.287 56.417 56.100 0.049 0.000 1.206 2119 R CB -0.372 29.959 30.300 0.050 0.000 1.161 2119 R HN 0.775 nan 8.270 nan 0.000 0.589 2120 A N 0.511 123.384 122.820 0.088 0.000 2.371 2120 A HA 0.437 4.758 4.320 0.001 0.000 0.257 2120 A C -0.364 177.299 177.584 0.131 0.000 1.089 2120 A CA -0.451 51.663 52.037 0.129 0.000 0.794 2120 A CB 0.650 19.785 19.000 0.225 0.000 1.029 2120 A HN 0.303 nan 8.150 nan 0.000 0.488 2121 V N 2.702 122.702 119.914 0.142 0.000 2.487 2121 V HA 0.352 4.472 4.120 0.001 0.000 0.298 2121 V C -0.032 176.172 176.094 0.183 0.000 1.028 2121 V CA -0.727 61.644 62.300 0.119 0.000 0.860 2121 V CB 1.596 33.460 31.823 0.068 0.000 0.991 2121 V HN 0.971 nan 8.190 nan 0.000 0.427 2122 N N 3.619 122.400 118.700 0.136 0.000 2.479 2122 N HA 0.541 5.281 4.740 0.001 0.000 0.261 2122 N C -1.307 174.221 175.510 0.031 0.000 0.979 2122 N CA -0.409 52.718 53.050 0.130 0.000 0.930 2122 N CB 1.774 40.289 38.487 0.046 0.000 1.172 2122 N HN 0.446 nan 8.380 nan 0.000 0.499 2123 V N 3.735 123.663 119.914 0.023 0.000 2.407 2123 V HA 0.270 4.391 4.120 0.001 0.000 0.278 2123 V C 0.228 176.265 176.094 -0.096 0.000 1.037 2123 V CA -0.752 61.526 62.300 -0.036 0.000 0.900 2123 V CB 1.193 33.006 31.823 -0.017 0.000 0.983 2123 V HN 0.569 nan 8.190 nan 0.000 0.459 2124 K N 3.837 124.138 120.400 -0.164 0.000 2.349 2124 K HA 0.191 4.512 4.320 0.001 0.000 0.288 2124 K C 0.078 176.532 176.600 -0.242 0.000 1.058 2124 K CA -0.244 55.892 56.287 -0.251 0.000 0.953 2124 K CB 0.764 33.062 32.500 -0.336 0.000 0.997 2124 K HN 0.623 nan 8.250 nan 0.000 0.477 2125 K N 1.791 122.045 120.400 -0.244 0.000 2.436 2125 K HA 0.052 4.372 4.320 0.001 0.000 0.282 2125 K C 0.358 176.714 176.600 -0.406 0.000 1.044 2125 K CA -0.038 56.086 56.287 -0.270 0.000 1.028 2125 K CB 0.347 32.710 32.500 -0.229 0.000 0.919 2125 K HN 0.705 nan 8.250 nan 0.000 0.474 2126 G N 3.229 111.689 108.800 -0.566 0.000 2.474 2126 G HA2 -0.107 3.854 3.960 0.001 0.000 0.233 2126 G HA3 -0.107 3.854 3.960 0.001 0.000 0.233 2126 G C 0.188 174.551 174.900 -0.894 0.000 1.278 2126 G CA -0.402 44.091 45.100 -1.012 0.000 0.861 2126 G HN 0.810 nan 8.290 nan 0.000 0.567 2127 Q N 0.544 119.971 119.800 -0.622 0.000 2.364 2127 Q HA -0.031 4.310 4.340 0.001 0.000 0.207 2127 Q C 1.713 177.615 176.000 -0.164 0.000 0.970 2127 Q CA 1.373 57.017 55.803 -0.265 0.000 0.888 2127 Q CB -0.151 28.573 28.738 -0.023 0.000 0.951 2127 Q HN 0.818 nan 8.270 nan 0.000 0.469 2128 F N -2.657 117.300 119.950 0.012 0.000 2.749 2128 F HA 0.326 4.853 4.527 0.001 0.000 0.300 2128 F C 0.306 176.087 175.800 -0.032 0.000 1.103 2128 F CA -0.849 57.156 58.000 0.008 0.000 1.342 2128 F CB -0.024 38.998 39.000 0.036 0.000 1.098 2128 F HN -0.116 nan 8.300 nan 0.000 0.586 2129 L N 2.118 123.127 121.223 -0.357 0.000 2.305 2129 L HA 0.695 5.035 4.340 0.001 0.000 0.281 2129 L C 0.277 176.990 176.870 -0.262 0.000 1.085 2129 L CA -1.057 53.650 54.840 -0.222 0.000 0.813 2129 L CB 0.748 42.592 42.059 -0.360 0.000 1.157 2129 L HN 0.222 nan 8.230 nan 0.000 0.436 2130 A N 6.446 129.090 122.820 -0.294 0.000 2.371 2130 A HA 0.520 4.840 4.320 0.001 0.000 0.257 2130 A C -1.761 175.409 177.584 -0.691 0.000 1.089 2130 A CA -1.044 50.610 52.037 -0.638 0.000 0.794 2130 A CB -0.131 18.351 19.000 -0.863 0.000 1.029 2130 A HN 0.758 nan 8.150 nan 0.000 0.488 2131 P HA -0.177 nan 4.420 nan 0.000 0.216 2131 P C 0.960 178.240 177.300 -0.034 0.000 1.153 2131 P CA 2.003 64.893 63.100 -0.350 0.000 0.858 2131 P CB -0.159 31.374 31.700 -0.279 0.000 0.789 2132 W N -0.393 121.041 121.300 0.223 0.000 2.525 2132 W HA 0.029 4.690 4.660 0.001 0.000 0.259 2132 W C 0.743 177.331 176.519 0.114 0.000 1.253 2132 W CA 0.572 58.111 57.345 0.323 0.000 1.262 2132 W CB -1.770 27.822 29.460 0.221 0.000 1.122 2132 W HN -0.113 nan 8.180 nan 0.000 0.607 2133 D N 0.729 121.156 120.400 0.044 0.000 2.328 2133 D HA -0.055 4.586 4.640 0.001 0.000 0.226 2133 D C 1.867 178.129 176.300 -0.063 0.000 1.066 2133 D CA 1.509 55.515 54.000 0.009 0.000 0.861 2133 D CB -0.175 40.626 40.800 0.002 0.000 0.912 2133 D HN 0.359 nan 8.370 nan 0.000 0.521 2134 T N -2.524 112.014 114.554 -0.026 0.000 3.081 2134 T HA 0.013 4.364 4.350 0.001 0.000 0.255 2134 T C 1.719 176.248 174.700 -0.286 0.000 1.113 2134 T CA 0.151 62.235 62.100 -0.026 0.000 1.082 2134 T CB 0.378 69.348 68.868 0.169 0.000 0.939 2134 T HN 0.003 nan 8.240 nan 0.000 0.506 2135 K N 1.705 121.664 120.400 -0.736 0.000 2.063 2135 K HA -0.140 4.181 4.320 0.001 0.000 0.208 2135 K C 2.087 178.344 176.600 -0.572 0.000 1.048 2135 K CA 1.788 57.277 56.287 -1.329 0.000 0.928 2135 K CB -0.335 31.260 32.500 -1.509 0.000 0.713 2135 K HN 0.494 nan 8.250 nan 0.000 0.442 2136 N N -0.348 118.146 118.700 -0.344 0.000 2.244 2136 N HA -0.132 4.609 4.740 0.001 0.000 0.183 2136 N C 1.669 177.100 175.510 -0.132 0.000 1.016 2136 N CA 0.869 53.803 53.050 -0.193 0.000 0.866 2136 N CB 0.148 38.559 38.487 -0.127 0.000 0.980 2136 N HN -0.029 nan 8.380 nan 0.000 0.430 2137 V N 0.697 120.541 119.914 -0.117 0.000 2.261 2137 V HA -0.197 3.923 4.120 0.001 0.000 0.246 2137 V C 2.251 178.319 176.094 -0.045 0.000 1.047 2137 V CA 1.346 63.611 62.300 -0.057 0.000 1.015 2137 V CB -0.463 31.340 31.823 -0.034 0.000 0.642 2137 V HN 0.134 nan 8.190 nan 0.000 0.446 2138 V N 0.090 119.964 119.914 -0.067 0.000 2.332 2138 V HA -0.324 3.797 4.120 0.001 0.000 0.248 2138 V C 2.489 178.573 176.094 -0.017 0.000 1.055 2138 V CA 2.450 64.737 62.300 -0.021 0.000 1.038 2138 V CB -0.620 31.204 31.823 0.001 0.000 0.651 2138 V HN 0.716 nan 8.190 nan 0.000 0.450 2139 E N 0.132 120.297 120.200 -0.059 0.000 2.110 2139 E HA -0.251 4.100 4.350 0.001 0.000 0.193 2139 E C 2.259 178.881 176.600 0.037 0.000 0.988 2139 E CA 1.273 57.663 56.400 -0.017 0.000 0.804 2139 E CB -0.040 29.624 29.700 -0.060 0.000 0.745 2139 E HN 0.591 nan 8.360 nan 0.000 0.458 2140 K N 0.282 120.685 120.400 0.004 0.000 2.032 2140 K HA -0.144 4.177 4.320 0.001 0.000 0.209 2140 K C 2.329 178.997 176.600 0.114 0.000 1.048 2140 K CA 1.364 57.670 56.287 0.032 0.000 0.927 2140 K CB -0.164 32.333 32.500 -0.005 0.000 0.712 2140 K HN 0.213 nan 8.250 nan 0.000 0.441 2141 L N 1.142 122.407 121.223 0.071 0.000 2.046 2141 L HA -0.212 4.129 4.340 0.001 0.000 0.208 2141 L C 2.368 179.287 176.870 0.082 0.000 1.077 2141 L CA 1.408 56.291 54.840 0.072 0.000 0.747 2141 L CB -0.323 41.762 42.059 0.044 0.000 0.896 2141 L HN 0.152 nan 8.230 nan 0.000 0.432 2142 K N -0.578 119.870 120.400 0.080 0.000 2.057 2142 K HA -0.221 4.100 4.320 0.001 0.000 0.207 2142 K C 2.082 178.735 176.600 0.089 0.000 1.049 2142 K CA 1.608 57.936 56.287 0.067 0.000 0.931 2142 K CB -0.320 32.216 32.500 0.061 0.000 0.714 2142 K HN 0.099 nan 8.250 nan 0.000 0.440 2143 F N 1.285 121.231 119.950 -0.007 0.000 2.126 2143 F HA -0.141 4.387 4.527 0.001 0.000 0.299 2143 F C 1.856 177.656 175.800 -0.000 0.000 1.096 2143 F CA 1.775 59.772 58.000 -0.005 0.000 1.255 2143 F CB -0.395 38.600 39.000 -0.008 0.000 0.997 2143 F HN -0.005 nan 8.300 nan 0.000 0.479 2144 G N -1.203 107.690 108.800 0.154 0.000 2.956 2144 G HA2 0.283 4.244 3.960 0.001 0.000 0.207 2144 G HA3 0.283 4.244 3.960 0.001 0.000 0.207 2144 G C 1.271 176.161 174.900 -0.017 0.000 1.162 2144 G CA 0.333 45.468 45.100 0.059 0.000 0.796 2144 G HN 1.011 nan 8.290 nan 0.000 0.527 2145 G N -1.452 107.323 108.800 -0.040 0.000 2.157 2145 G HA2 0.102 4.063 3.960 0.001 0.000 0.239 2145 G HA3 0.102 4.063 3.960 0.001 0.000 0.239 2145 G C 0.561 175.457 174.900 -0.008 0.000 0.982 2145 G CA 0.173 45.250 45.100 -0.038 0.000 0.650 2145 G HN 1.344 nan 8.290 nan 0.000 0.527 2146 A N -0.220 122.606 122.820 0.010 0.000 2.462 2146 A HA 0.666 4.987 4.320 0.001 0.000 0.243 2146 A C 1.292 178.878 177.584 0.003 0.000 1.076 2146 A CA 1.064 53.109 52.037 0.014 0.000 0.773 2146 A CB 0.455 19.470 19.000 0.025 0.000 1.010 2146 A HN 0.247 nan 8.150 nan 0.000 0.493 2147 K N 0.871 121.270 120.400 -0.002 0.000 2.362 2147 K HA 0.125 4.446 4.320 0.001 0.000 0.203 2147 K C 0.186 176.761 176.600 -0.042 0.000 1.198 2147 K CA 0.392 56.671 56.287 -0.014 0.000 0.908 2147 K CB 0.318 32.814 32.500 -0.007 0.000 1.236 2147 K HN 0.814 nan 8.250 nan 0.000 0.487 2148 E N 1.856 122.028 120.200 -0.046 0.000 2.035 2148 E HA 0.303 4.654 4.350 0.001 0.000 0.271 2148 E C -1.085 175.411 176.600 -0.173 0.000 0.953 2148 E CA -0.176 56.148 56.400 -0.127 0.000 0.777 2148 E CB 0.386 30.062 29.700 -0.039 0.000 1.104 2148 E HN 0.092 nan 8.360 nan 0.000 0.408 2149 I N 4.492 124.898 120.570 -0.273 0.000 2.433 2149 I HA 0.323 4.494 4.170 0.001 0.000 0.292 2149 I C -0.993 174.927 176.117 -0.329 0.000 1.001 2149 I CA -0.851 60.339 61.300 -0.183 0.000 1.119 2149 I CB 1.043 39.010 38.000 -0.055 0.000 1.289 2149 I HN 0.453 nan 8.210 nan 0.000 0.438 2150 Y N 5.691 126.001 120.300 0.017 0.000 2.485 2150 Y HA 0.646 5.197 4.550 0.001 0.000 0.345 2150 Y C -0.449 175.449 175.900 -0.002 0.000 0.998 2150 Y CA -0.840 57.263 58.100 0.004 0.000 1.059 2150 Y CB 1.876 40.328 38.460 -0.012 0.000 1.234 2150 Y HN 0.281 nan 8.280 nan 0.000 0.461 2151 L N 2.560 123.877 121.223 0.156 0.000 2.333 2151 L HA 0.571 4.912 4.340 0.001 0.000 0.280 2151 L C -0.641 176.242 176.870 0.021 0.000 1.004 2151 L CA -0.554 54.327 54.840 0.069 0.000 0.820 2151 L CB 2.041 44.147 42.059 0.078 0.000 1.247 2151 L HN 0.650 nan 8.230 nan 0.000 0.416 2152 T N 1.358 115.877 114.554 -0.059 0.000 2.758 2152 T HA 0.213 4.564 4.350 0.001 0.000 0.285 2152 T C -0.294 174.303 174.700 -0.173 0.000 0.981 2152 T CA -0.433 61.589 62.100 -0.131 0.000 0.965 2152 T CB 1.452 70.175 68.868 -0.242 0.000 0.927 2152 T HN 0.414 nan 8.240 nan 0.000 0.448 2153 E N 2.756 122.879 120.200 -0.127 0.000 2.290 2153 E HA 0.250 4.600 4.350 0.001 0.000 0.277 2153 E C 0.488 176.948 176.600 -0.233 0.000 1.035 2153 E CA -0.442 55.877 56.400 -0.136 0.000 0.873 2153 E CB 0.447 30.138 29.700 -0.015 0.000 1.029 2153 E HN 0.618 nan 8.360 nan 0.000 0.419 2154 R N 3.016 123.362 120.500 -0.257 0.000 2.615 2154 R HA 0.492 4.833 4.340 0.001 0.000 0.448 2154 R C 0.156 176.331 176.300 -0.208 0.000 1.009 2154 R CA -0.179 55.753 56.100 -0.281 0.000 1.111 2154 R CB 0.053 30.146 30.300 -0.344 0.000 1.461 2154 R HN 0.667 nan 8.270 nan 0.000 0.587 2155 G N -0.072 108.615 108.800 -0.187 0.000 2.662 2155 G HA2 -0.013 3.948 3.960 0.001 0.000 0.686 2155 G HA3 -0.013 3.948 3.960 0.001 0.000 0.686 2155 G C -0.903 173.904 174.900 -0.155 0.000 1.271 2155 G CA -0.443 44.565 45.100 -0.154 0.000 0.816 2155 G HN 0.209 nan 8.290 nan 0.000 0.608 2156 T N 0.760 115.247 114.554 -0.111 0.000 2.893 2156 T HA 0.632 4.983 4.350 0.001 0.000 0.293 2156 T C 0.364 175.077 174.700 0.021 0.000 1.027 2156 T CA -0.000 62.053 62.100 -0.079 0.000 0.988 2156 T CB 1.705 70.514 68.868 -0.098 0.000 1.043 2156 T HN 0.911 nan 8.240 nan 0.000 0.461 2157 T N 3.070 117.656 114.554 0.053 0.000 2.822 2157 T HA 0.122 4.472 4.350 0.001 0.000 0.288 2157 T C -0.699 174.101 174.700 0.166 0.000 0.991 2157 T CA 0.604 62.770 62.100 0.111 0.000 1.176 2157 T CB -0.470 68.469 68.868 0.118 0.000 0.951 2157 T HN 0.415 nan 8.240 nan 0.000 0.526 2158 F N 4.143 124.082 119.950 -0.019 0.000 2.691 2158 F HA 0.522 5.050 4.527 0.001 0.000 0.371 2158 F C 0.712 176.479 175.800 -0.056 0.000 1.159 2158 F CA 0.047 58.023 58.000 -0.041 0.000 1.174 2158 F CB -0.127 38.850 39.000 -0.039 0.000 1.419 2158 F HN 0.921 nan 8.300 nan 0.000 0.514 2159 G N 2.882 111.428 108.800 -0.425 0.000 2.598 2159 G HA2 -0.295 3.666 3.960 0.001 0.000 0.244 2159 G HA3 -0.295 3.666 3.960 0.001 0.000 0.244 2159 G C -1.275 173.456 174.900 -0.282 0.000 1.302 2159 G CA -0.309 44.486 45.100 -0.509 0.000 0.903 2159 G HN 0.506 nan 8.290 nan 0.000 0.575 2160 Y N 1.696 121.954 120.300 -0.070 0.000 2.310 2160 Y HA 0.468 5.019 4.550 0.001 0.000 0.326 2160 Y C 1.452 177.359 175.900 0.012 0.000 1.151 2160 Y CA -0.508 57.582 58.100 -0.016 0.000 1.195 2160 Y CB 0.944 39.393 38.460 -0.018 0.000 1.210 2160 Y HN 0.646 nan 8.280 nan 0.000 0.483 2161 N N 1.880 120.711 118.700 0.220 0.000 2.727 2161 N HA -0.319 4.422 4.740 0.001 0.000 0.249 2161 N C -0.808 174.782 175.510 0.133 0.000 1.048 2161 N CA 0.996 54.134 53.050 0.147 0.000 0.714 2161 N CB -1.116 37.443 38.487 0.119 0.000 0.959 2161 N HN 0.890 nan 8.380 nan 0.000 0.544 2162 N N -0.344 118.441 118.700 0.141 0.000 2.504 2162 N HA 0.526 5.266 4.740 0.001 0.000 0.268 2162 N C -1.557 174.053 175.510 0.166 0.000 1.184 2162 N CA -0.526 52.617 53.050 0.154 0.000 0.875 2162 N CB 1.563 40.168 38.487 0.196 0.000 1.630 2162 N HN -0.012 nan 8.380 nan 0.000 0.486 2163 L N 2.215 123.512 121.223 0.124 0.000 2.386 2163 L HA 0.657 4.997 4.340 0.001 0.000 0.271 2163 L C -0.689 176.183 176.870 0.004 0.000 0.993 2163 L CA -0.961 53.924 54.840 0.074 0.000 0.819 2163 L CB 2.057 44.131 42.059 0.024 0.000 1.294 2163 L HN 0.276 nan 8.230 nan 0.000 0.414 2164 V N 3.423 123.297 119.914 -0.067 0.000 2.715 2164 V HA 0.566 4.687 4.120 0.001 0.000 0.310 2164 V C -0.709 175.261 176.094 -0.207 0.000 1.054 2164 V CA -0.483 61.681 62.300 -0.227 0.000 0.928 2164 V CB 2.536 34.050 31.823 -0.517 0.000 1.007 2164 V HN 0.415 nan 8.190 nan 0.000 0.437 2165 V N 5.011 124.780 119.914 -0.242 0.000 2.328 2165 V HA 0.365 4.486 4.120 0.001 0.000 0.278 2165 V C -0.353 175.487 176.094 -0.423 0.000 1.021 2165 V CA -0.481 61.594 62.300 -0.374 0.000 0.838 2165 V CB 1.350 32.851 31.823 -0.537 0.000 0.999 2165 V HN 0.920 nan 8.190 nan 0.000 0.447 2166 D N 4.072 124.264 120.400 -0.346 0.000 2.441 2166 D HA 0.244 4.885 4.640 0.001 0.000 0.221 2166 D C 0.713 176.870 176.300 -0.238 0.000 1.156 2166 D CA -0.361 53.511 54.000 -0.215 0.000 0.896 2166 D CB 0.519 41.228 40.800 -0.151 0.000 1.028 2166 D HN 0.400 nan 8.370 nan 0.000 0.509 2167 F N 1.884 121.784 119.950 -0.083 0.000 2.583 2167 F HA -0.009 4.519 4.527 0.001 0.000 0.297 2167 F C 2.249 178.008 175.800 -0.069 0.000 1.131 2167 F CA 0.419 58.366 58.000 -0.089 0.000 1.467 2167 F CB 0.009 38.940 39.000 -0.115 0.000 1.097 2167 F HN 0.280 nan 8.300 nan 0.000 0.586 2168 R N -0.161 120.385 120.500 0.076 0.000 2.189 2168 R HA -0.137 4.204 4.340 0.001 0.000 0.223 2168 R C 2.501 178.812 176.300 0.019 0.000 1.092 2168 R CA 1.313 57.447 56.100 0.056 0.000 0.989 2168 R CB -0.532 29.811 30.300 0.071 0.000 0.876 2168 R HN 0.360 nan 8.270 nan 0.000 0.457 2169 S N 0.674 116.352 115.700 -0.037 0.000 2.399 2169 S HA -0.126 4.345 4.470 0.001 0.000 0.231 2169 S C 1.862 176.425 174.600 -0.061 0.000 1.022 2169 S CA 0.809 58.965 58.200 -0.073 0.000 0.983 2169 S CB -0.168 62.949 63.200 -0.138 0.000 0.803 2169 S HN 0.064 nan 8.310 nan 0.000 0.480 2170 L N 2.751 123.951 121.223 -0.037 0.000 1.970 2170 L HA 0.044 4.385 4.340 0.001 0.000 0.212 2170 L C -0.369 176.452 176.870 -0.082 0.000 1.071 2170 L CA 1.912 56.728 54.840 -0.039 0.000 0.751 2170 L CB -1.670 40.392 42.059 0.005 0.000 0.889 2170 L HN 0.273 nan 8.230 nan 0.000 0.432 2171 P HA -0.135 nan 4.420 nan 0.000 0.219 2171 P C 2.060 179.269 177.300 -0.150 0.000 1.150 2171 P CA 1.523 64.565 63.100 -0.097 0.000 0.814 2171 P CB 0.101 31.769 31.700 -0.053 0.000 0.787 2172 I N -0.696 119.803 120.570 -0.118 0.000 2.202 2172 I HA -0.205 3.966 4.170 0.001 0.000 0.242 2172 I C 2.744 178.592 176.117 -0.449 0.000 1.091 2172 I CA 1.562 62.761 61.300 -0.169 0.000 1.368 2172 I CB -0.626 37.399 38.000 0.041 0.000 1.058 2172 I HN -0.164 nan 8.210 nan 0.000 0.410 2173 M N 0.108 119.522 119.600 -0.310 0.000 2.296 2173 M HA -0.163 4.318 4.480 0.001 0.000 0.265 2173 M C 2.161 178.116 176.300 -0.574 0.000 1.064 2173 M CA 1.193 56.255 55.300 -0.397 0.000 1.109 2173 M CB -0.366 32.187 32.600 -0.078 0.000 1.396 2173 M HN -0.004 nan 8.290 nan 0.000 0.430 2174 K N 1.182 121.354 120.400 -0.380 0.000 2.360 2174 K HA -0.152 4.169 4.320 0.001 0.000 0.201 2174 K C 1.640 178.024 176.600 -0.359 0.000 1.046 2174 K CA 1.446 57.565 56.287 -0.280 0.000 0.940 2174 K CB -0.177 32.214 32.500 -0.182 0.000 0.748 2174 K HN 0.435 nan 8.250 nan 0.000 0.465 2175 Q N -1.230 118.190 119.800 -0.633 0.000 2.226 2175 Q HA -0.134 4.206 4.340 0.001 0.000 0.204 2175 Q C 0.765 176.590 176.000 -0.292 0.000 0.975 2175 Q CA 1.713 57.198 55.803 -0.531 0.000 0.866 2175 Q CB -0.094 28.174 28.738 -0.783 0.000 0.915 2175 Q HN 0.675 nan 8.270 nan 0.000 0.440 2176 W N -2.246 119.059 121.300 0.009 0.000 2.534 2176 W HA 0.698 5.359 4.660 0.001 0.000 0.339 2176 W C -0.018 176.489 176.519 -0.020 0.000 0.961 2176 W CA -0.154 57.191 57.345 -0.000 0.000 1.545 2176 W CB 0.362 29.828 29.460 0.010 0.000 1.104 2176 W HN -0.097 nan 8.180 nan 0.000 0.538 2177 A N 0.776 123.635 122.820 0.064 0.000 2.599 2177 A HA 0.621 4.942 4.320 0.001 0.000 0.290 2177 A C -1.008 176.554 177.584 -0.036 0.000 1.101 2177 A CA -1.246 50.812 52.037 0.035 0.000 0.674 2177 A CB 0.973 20.039 19.000 0.111 0.000 1.277 2177 A HN 0.018 nan 8.150 nan 0.000 0.419 2178 K N 0.362 120.715 120.400 -0.078 0.000 2.270 2178 K HA 0.496 4.817 4.320 0.001 0.000 0.276 2178 K C -0.852 175.801 176.600 0.088 0.000 1.023 2178 K CA -0.208 56.071 56.287 -0.012 0.000 0.955 2178 K CB 1.198 33.671 32.500 -0.045 0.000 0.975 2178 K HN 0.355 nan 8.250 nan 0.000 0.471 2179 V N 4.817 124.773 119.914 0.069 0.000 2.435 2179 V HA 0.327 4.448 4.120 0.001 0.000 0.290 2179 V C -0.155 175.980 176.094 0.069 0.000 1.030 2179 V CA -0.864 61.471 62.300 0.060 0.000 0.881 2179 V CB 1.273 33.098 31.823 0.003 0.000 0.983 2179 V HN 0.580 nan 8.190 nan 0.000 0.445 2180 I N 4.315 124.919 120.570 0.057 0.000 2.530 2180 I HA 0.380 4.551 4.170 0.001 0.000 0.297 2180 I C -0.771 175.382 176.117 0.060 0.000 1.011 2180 I CA -0.875 60.438 61.300 0.023 0.000 1.107 2180 I CB 1.713 39.689 38.000 -0.041 0.000 1.285 2180 I HN 0.662 nan 8.210 nan 0.000 0.436 2181 Y N 4.920 125.213 120.300 -0.012 0.000 2.331 2181 Y HA 0.325 4.876 4.550 0.001 0.000 0.338 2181 Y C -0.075 175.839 175.900 0.023 0.000 0.976 2181 Y CA -0.826 57.277 58.100 0.005 0.000 1.137 2181 Y CB 0.813 39.324 38.460 0.085 0.000 1.172 2181 Y HN 0.502 nan 8.280 nan 0.000 0.478 2182 D N 5.171 125.103 120.400 -0.780 0.000 2.411 2182 D HA 0.255 4.896 4.640 0.001 0.000 0.225 2182 D C 0.476 176.222 176.300 -0.924 0.000 1.156 2182 D CA 0.250 53.864 54.000 -0.643 0.000 0.874 2182 D CB 1.324 41.742 40.800 -0.637 0.000 1.034 2182 D HN 0.794 nan 8.370 nan 0.000 0.502 2183 A N 3.138 125.620 122.820 -0.562 0.000 2.119 2183 A HA -0.040 4.281 4.320 0.001 0.000 0.216 2183 A C 1.908 179.447 177.584 -0.075 0.000 1.152 2183 A CA 0.938 52.828 52.037 -0.244 0.000 0.708 2183 A CB 0.065 19.152 19.000 0.146 0.000 0.805 2183 A HN 0.555 nan 8.150 nan 0.000 0.460 2184 T N -0.808 113.682 114.554 -0.106 0.000 2.755 2184 T HA -0.024 4.327 4.350 0.001 0.000 0.251 2184 T C 1.625 176.174 174.700 -0.252 0.000 1.044 2184 T CA 1.633 63.629 62.100 -0.173 0.000 1.154 2184 T CB -0.413 68.305 68.868 -0.250 0.000 0.866 2184 T HN 0.698 nan 8.240 nan 0.000 0.416 2185 H N 0.740 119.757 119.070 -0.089 0.000 2.546 2185 H HA 0.224 4.781 4.556 0.001 0.000 0.277 2185 H C 2.294 177.551 175.328 -0.119 0.000 1.004 2185 H CA 0.627 56.607 56.048 -0.113 0.000 1.231 2185 H CB -0.012 29.635 29.762 -0.193 0.000 1.382 2185 H HN 0.166 nan 8.280 nan 0.000 0.580 2186 S N 0.115 115.778 115.700 -0.062 0.000 2.481 2186 S HA -0.071 4.399 4.470 0.001 0.000 0.231 2186 S C 1.912 176.525 174.600 0.022 0.000 0.996 2186 S CA 1.021 59.192 58.200 -0.049 0.000 0.942 2186 S CB 0.058 63.217 63.200 -0.069 0.000 0.768 2186 S HN 0.485 nan 8.310 nan 0.000 0.520 2187 V N -0.262 119.685 119.914 0.055 0.000 3.528 2187 V HA 0.247 4.367 4.120 0.001 0.000 0.294 2187 V C 0.395 176.551 176.094 0.103 0.000 1.404 2187 V CA -0.531 61.834 62.300 0.107 0.000 1.065 2187 V CB -0.632 31.308 31.823 0.195 0.000 0.904 2187 V HN 0.457 nan 8.190 nan 0.000 0.435 2188 Q N 1.423 121.266 119.800 0.071 0.000 2.354 2188 Q HA 0.588 4.929 4.340 0.001 0.000 0.244 2188 Q C -0.698 175.353 176.000 0.085 0.000 0.969 2188 Q CA -0.569 55.280 55.803 0.077 0.000 0.885 2188 Q CB 1.564 30.342 28.738 0.067 0.000 1.241 2188 Q HN 0.502 nan 8.270 nan 0.000 0.461 2189 L N 2.766 124.044 121.223 0.091 0.000 2.259 2189 L HA 0.394 4.734 4.340 0.001 0.000 0.288 2189 L C -2.130 174.797 176.870 0.094 0.000 1.051 2189 L CA -2.244 52.653 54.840 0.095 0.000 0.824 2189 L CB 0.553 42.670 42.059 0.096 0.000 1.206 2189 L HN 0.456 nan 8.230 nan 0.000 0.429 2190 P HA 0.130 nan 4.420 nan 0.000 0.264 2190 P C 0.504 177.863 177.300 0.098 0.000 1.179 2190 P CA 0.585 63.753 63.100 0.115 0.000 0.763 2190 P CB 0.620 32.405 31.700 0.142 0.000 0.806 2199 G N 1.186 110.161 108.800 0.291 0.000 1.912 2199 G HA2 -0.051 3.909 3.960 0.001 0.000 0.243 2199 G HA3 -0.051 3.909 3.960 0.001 0.000 0.243 2199 G C 1.402 176.339 174.900 0.061 0.000 0.677 2199 G CA 1.490 46.659 45.100 0.114 0.000 0.900 2199 G HN 0.638 nan 8.290 nan 0.000 0.397 2200 M N -0.381 119.324 119.600 0.174 0.000 3.948 2200 M HA -0.406 4.074 4.480 0.001 0.000 0.286 2200 M C 2.648 179.003 176.300 0.092 0.000 0.972 2200 M CA 2.955 58.361 55.300 0.177 0.000 1.017 2200 M CB -0.491 32.171 32.600 0.103 0.000 1.295 2200 M HN 0.498 nan 8.290 nan 0.000 0.629 2201 R N 0.497 121.001 120.500 0.006 0.000 2.119 2201 R HA -0.237 4.104 4.340 0.001 0.000 0.246 2201 R C 2.018 178.277 176.300 -0.068 0.000 1.146 2201 R CA 2.299 58.389 56.100 -0.018 0.000 0.962 2201 R CB -0.518 29.764 30.300 -0.030 0.000 0.863 2201 R HN 0.723 nan 8.270 nan 0.000 0.442 2202 E N -0.719 119.340 120.200 -0.234 0.000 2.331 2202 E HA -0.199 4.152 4.350 0.001 0.000 0.199 2202 E C 0.845 177.237 176.600 -0.346 0.000 1.008 2202 E CA 1.033 57.223 56.400 -0.351 0.000 0.843 2202 E CB -0.169 29.192 29.700 -0.565 0.000 0.761 2202 E HN 0.437 nan 8.360 nan 0.000 0.507 2203 F N 0.472 120.471 119.950 0.082 0.000 2.721 2203 F HA 0.327 4.855 4.527 0.001 0.000 0.301 2203 F C 1.810 177.693 175.800 0.138 0.000 1.096 2203 F CA -0.506 57.551 58.000 0.095 0.000 1.308 2203 F CB -0.022 39.027 39.000 0.081 0.000 1.086 2203 F HN -0.059 nan 8.300 nan 0.000 0.587 2204 I N -0.466 120.265 120.570 0.269 0.000 2.127 2204 I HA -0.354 3.817 4.170 0.001 0.000 0.241 2204 I C 2.523 178.846 176.117 0.344 0.000 1.075 2204 I CA 1.845 63.303 61.300 0.262 0.000 1.334 2204 I CB -0.485 37.610 38.000 0.158 0.000 1.040 2204 I HN 0.148 nan 8.210 nan 0.000 0.405 2205 F N 1.978 121.994 119.950 0.111 0.000 2.113 2205 F HA -0.130 4.397 4.527 0.001 0.000 0.297 2205 F C -0.395 175.460 175.800 0.092 0.000 1.103 2205 F CA 1.018 59.072 58.000 0.090 0.000 1.248 2205 F CB -0.975 38.054 39.000 0.049 0.000 0.999 2205 F HN 0.009 nan 8.300 nan 0.000 0.475 2206 P HA -0.211 nan 4.420 nan 0.000 0.215 2206 P C 1.784 179.100 177.300 0.028 0.000 1.157 2206 P CA 1.598 64.689 63.100 -0.014 0.000 0.868 2206 P CB -0.099 31.652 31.700 0.084 0.000 0.788 2207 L N -1.691 119.633 121.223 0.169 0.000 2.217 2207 L HA -0.095 4.246 4.340 0.001 0.000 0.211 2207 L C 2.385 179.319 176.870 0.108 0.000 1.107 2207 L CA 1.107 56.059 54.840 0.188 0.000 0.783 2207 L CB -0.715 41.576 42.059 0.386 0.000 0.919 2207 L HN -0.016 nan 8.230 nan 0.000 0.442 2208 I N -0.202 120.526 120.570 0.263 0.000 2.226 2208 I HA -0.278 3.892 4.170 0.001 0.000 0.245 2208 I C 2.775 178.949 176.117 0.095 0.000 1.100 2208 I CA 1.198 62.670 61.300 0.286 0.000 1.374 2208 I CB -0.217 38.035 38.000 0.420 0.000 1.057 2208 I HN 0.240 nan 8.210 nan 0.000 0.413 2209 R N 0.643 121.165 120.500 0.036 0.000 2.081 2209 R HA -0.144 4.197 4.340 0.001 0.000 0.235 2209 R C 2.418 178.619 176.300 -0.166 0.000 1.131 2209 R CA 1.485 57.541 56.100 -0.074 0.000 0.960 2209 R CB -0.476 29.703 30.300 -0.202 0.000 0.856 2209 R HN 0.358 nan 8.270 nan 0.000 0.436 2210 A N 1.387 124.035 122.820 -0.288 0.000 1.902 2210 A HA -0.100 4.220 4.320 0.001 0.000 0.217 2210 A C 2.401 179.645 177.584 -0.566 0.000 1.181 2210 A CA 1.625 53.334 52.037 -0.547 0.000 0.623 2210 A CB -0.573 17.855 19.000 -0.953 0.000 0.818 2210 A HN 0.390 nan 8.150 nan 0.000 0.443 2211 A N -0.008 122.558 122.820 -0.423 0.000 1.877 2211 A HA -0.048 4.273 4.320 0.001 0.000 0.216 2211 A C 2.315 179.849 177.584 -0.084 0.000 1.186 2211 A CA 2.377 54.282 52.037 -0.220 0.000 0.620 2211 A CB -1.239 17.505 19.000 -0.426 0.000 0.822 2211 A HN 1.151 nan 8.150 nan 0.000 0.443 2212 V N -2.777 117.121 119.914 -0.027 0.000 2.667 2212 V HA 0.098 4.218 4.120 0.001 0.000 0.252 2212 V C 2.463 178.607 176.094 0.084 0.000 1.065 2212 V CA 1.536 63.866 62.300 0.050 0.000 1.083 2212 V CB -1.283 30.564 31.823 0.040 0.000 0.692 2212 V HN 0.489 nan 8.190 nan 0.000 0.468 2213 A N 0.449 123.267 122.820 -0.002 0.000 1.930 2213 A HA -0.020 4.301 4.320 0.001 0.000 0.217 2213 A C 2.341 179.977 177.584 0.088 0.000 1.175 2213 A CA 1.978 54.041 52.037 0.042 0.000 0.627 2213 A CB -0.683 18.272 19.000 -0.076 0.000 0.815 2213 A HN 0.424 nan 8.150 nan 0.000 0.443 2214 V N -0.906 118.972 119.914 -0.060 0.000 2.323 2214 V HA 0.266 4.386 4.120 0.001 0.000 0.244 2214 V C 1.323 177.293 176.094 -0.206 0.000 1.041 2214 V CA 1.435 63.687 62.300 -0.080 0.000 1.025 2214 V CB -1.078 30.684 31.823 -0.102 0.000 0.656 2214 V HN 1.232 nan 8.190 nan 0.000 0.451 2215 G N -0.343 108.239 108.800 -0.362 0.000 3.305 2215 G HA2 0.121 4.082 3.960 0.001 0.000 0.649 2215 G HA3 0.121 4.082 3.960 0.001 0.000 0.649 2215 G C -0.783 173.885 174.900 -0.388 0.000 1.255 2215 G CA -0.636 43.917 45.100 -0.911 0.000 1.137 2215 G HN 0.999 nan 8.290 nan 0.000 0.535 2216 C N 0.329 119.518 119.300 -0.186 0.000 3.291 2216 C HA 0.873 5.334 4.460 0.001 0.000 0.316 2216 C C 0.517 175.591 174.990 0.139 0.000 1.391 2216 C CA -0.561 58.463 59.018 0.009 0.000 1.394 2216 C CB 1.914 29.716 27.740 0.105 0.000 1.744 2216 C HN 0.624 nan 8.230 nan 0.000 0.461 2217 D N 0.298 120.749 120.400 0.085 0.000 2.360 2217 D HA 0.393 5.033 4.640 0.001 0.000 0.210 2217 D C 0.760 176.905 176.300 -0.260 0.000 1.047 2217 D CA 1.266 55.305 54.000 0.066 0.000 0.854 2217 D CB 0.987 41.835 40.800 0.080 0.000 0.936 2217 D HN 1.089 nan 8.370 nan 0.000 0.514 2218 G N -0.379 108.198 108.800 -0.371 0.000 2.368 2218 G HA2 0.395 4.356 3.960 0.001 0.000 0.293 2218 G HA3 0.395 4.356 3.960 0.001 0.000 0.293 2218 G C -1.843 172.856 174.900 -0.336 0.000 1.467 2218 G CA -0.514 44.066 45.100 -0.866 0.000 0.804 2218 G HN -0.056 nan 8.290 nan 0.000 0.535 2219 V N 0.275 120.005 119.914 -0.307 0.000 2.823 2219 V HA 0.746 4.866 4.120 0.001 0.000 0.312 2219 V C -1.284 174.814 176.094 0.006 0.000 1.072 2219 V CA -0.724 61.593 62.300 0.029 0.000 0.937 2219 V CB 1.934 33.884 31.823 0.212 0.000 1.013 2219 V HN 0.832 nan 8.190 nan 0.000 0.430 2220 F N 5.334 125.205 119.950 -0.130 0.000 2.467 2220 F HA 0.834 5.361 4.527 0.001 0.000 0.336 2220 F C -0.507 175.214 175.800 -0.132 0.000 1.123 2220 F CA -0.868 57.042 58.000 -0.151 0.000 0.964 2220 F CB 1.511 40.412 39.000 -0.166 0.000 1.136 2220 F HN 0.394 nan 8.300 nan 0.000 0.447 2221 M N 5.725 125.204 119.600 -0.202 0.000 2.271 2221 M HA 0.286 4.767 4.480 0.001 0.000 0.285 2221 M C -1.146 174.988 176.300 -0.277 0.000 1.059 2221 M CA -0.540 54.688 55.300 -0.118 0.000 0.940 2221 M CB 2.605 35.160 32.600 -0.074 0.000 1.636 2221 M HN 0.523 nan 8.290 nan 0.000 0.460 2222 E N 1.622 121.723 120.200 -0.165 0.000 2.283 2222 E HA 0.419 4.770 4.350 0.001 0.000 0.278 2222 E C -0.550 175.988 176.600 -0.103 0.000 1.027 2222 E CA -0.207 56.095 56.400 -0.165 0.000 0.843 2222 E CB 2.026 31.674 29.700 -0.086 0.000 1.062 2222 E HN 0.466 nan 8.360 nan 0.000 0.401 2223 T N 2.095 116.593 114.554 -0.093 0.000 2.909 2223 T HA 0.254 4.605 4.350 0.001 0.000 0.299 2223 T C -1.642 173.079 174.700 0.035 0.000 1.073 2223 T CA -0.616 61.464 62.100 -0.033 0.000 0.999 2223 T CB 1.270 70.102 68.868 -0.059 0.000 1.098 2223 T HN 0.453 nan 8.240 nan 0.000 0.477 2224 H N 3.154 122.197 119.070 -0.045 0.000 2.974 2224 H HA 0.355 4.911 4.556 0.001 0.000 0.366 2224 H C -2.442 172.875 175.328 -0.019 0.000 1.155 2224 H CA -1.689 54.344 56.048 -0.025 0.000 1.186 2224 H CB 2.786 32.535 29.762 -0.023 0.000 1.799 2224 H HN 0.326 nan 8.280 nan 0.000 0.541 2225 P HA -0.080 nan 4.420 nan 0.000 0.215 2225 P C -0.602 176.788 177.300 0.150 0.000 1.153 2225 P CA 1.453 64.576 63.100 0.038 0.000 0.853 2225 P CB 0.432 32.105 31.700 -0.046 0.000 0.788 2226 E N -2.201 118.224 120.200 0.374 0.000 2.914 2226 E HA 0.151 4.502 4.350 0.001 0.000 0.246 2226 E C -2.196 174.438 176.600 0.056 0.000 1.146 2226 E CA -1.633 54.883 56.400 0.192 0.000 0.803 2226 E CB 1.107 30.884 29.700 0.129 0.000 1.409 2226 E HN 0.074 nan 8.360 nan 0.000 0.392 2227 P HA -0.317 nan 4.420 nan 0.000 0.218 2227 P C 1.226 178.392 177.300 -0.223 0.000 1.154 2227 P CA 1.581 64.571 63.100 -0.182 0.000 0.872 2227 P CB 0.174 31.837 31.700 -0.062 0.000 0.790 2228 E N 0.437 120.566 120.200 -0.119 0.000 2.171 2228 E HA -0.231 4.120 4.350 0.001 0.000 0.197 2228 E C 1.281 177.813 176.600 -0.114 0.000 0.997 2228 E CA 1.304 57.650 56.400 -0.090 0.000 0.810 2228 E CB -0.789 28.883 29.700 -0.047 0.000 0.738 2228 E HN 0.320 nan 8.360 nan 0.000 0.467 2229 K N 0.551 120.861 120.400 -0.150 0.000 2.374 2229 K HA 0.303 4.624 4.320 0.001 0.000 0.196 2229 K C 0.375 176.842 176.600 -0.222 0.000 1.023 2229 K CA 0.160 56.370 56.287 -0.129 0.000 1.103 2229 K CB 0.762 33.240 32.500 -0.037 0.000 0.848 2229 K HN 0.119 nan 8.250 nan 0.000 0.528 2230 A N 1.384 123.934 122.820 -0.450 0.000 2.540 2230 A HA 0.026 4.347 4.320 0.001 0.000 0.239 2230 A C 0.982 178.442 177.584 -0.208 0.000 1.061 2230 A CA 0.058 51.814 52.037 -0.469 0.000 0.758 2230 A CB 0.031 18.700 19.000 -0.551 0.000 0.991 2230 A HN 0.304 nan 8.150 nan 0.000 0.502 2231 L N 1.579 122.690 121.223 -0.187 0.000 2.599 2231 L HA 0.097 4.438 4.340 0.001 0.000 0.230 2231 L C 1.054 177.913 176.870 -0.019 0.000 1.141 2231 L CA 0.863 55.575 54.840 -0.212 0.000 0.877 2231 L CB -0.255 41.398 42.059 -0.676 0.000 1.009 2231 L HN 0.702 nan 8.230 nan 0.000 0.447 2232 S N -0.941 114.769 115.700 0.017 0.000 2.543 2232 S HA 0.291 4.762 4.470 0.001 0.000 0.271 2232 S C -0.667 173.960 174.600 0.045 0.000 1.148 2232 S CA -0.648 57.607 58.200 0.092 0.000 0.914 2232 S CB 1.161 64.472 63.200 0.184 0.000 1.096 2232 S HN 0.242 nan 8.310 nan 0.000 0.471 2233 D N 1.836 122.267 120.400 0.051 0.000 2.751 2233 D HA -0.177 4.464 4.640 0.001 0.000 0.233 2233 D C 1.201 177.487 176.300 -0.024 0.000 1.149 2233 D CA 1.113 55.129 54.000 0.027 0.000 0.682 2233 D CB -1.255 39.568 40.800 0.039 0.000 1.068 2233 D HN 0.749 nan 8.370 nan 0.000 0.429 2234 A N 0.003 122.798 122.820 -0.043 0.000 1.917 2234 A HA -0.231 4.090 4.320 0.001 0.000 0.219 2234 A C 2.257 179.805 177.584 -0.061 0.000 1.182 2234 A CA 2.382 54.368 52.037 -0.085 0.000 0.633 2234 A CB -0.492 18.458 19.000 -0.084 0.000 0.819 2234 A HN 0.560 nan 8.150 nan 0.000 0.448 2235 S N -1.085 114.597 115.700 -0.030 0.000 2.515 2235 S HA -0.065 4.405 4.470 0.001 0.000 0.231 2235 S C 1.422 176.012 174.600 -0.017 0.000 0.987 2235 S CA 1.590 59.779 58.200 -0.018 0.000 0.936 2235 S CB -0.663 62.538 63.200 0.003 0.000 0.766 2235 S HN 0.821 nan 8.310 nan 0.000 0.528 2236 T N -2.519 112.018 114.554 -0.029 0.000 3.004 2236 T HA 0.271 4.622 4.350 0.001 0.000 0.266 2236 T C 0.365 175.032 174.700 -0.054 0.000 0.986 2236 T CA -0.472 61.606 62.100 -0.037 0.000 0.902 2236 T CB -0.171 68.665 68.868 -0.054 0.000 1.118 2236 T HN 0.289 nan 8.240 nan 0.000 0.522 2237 Q N 1.213 120.981 119.800 -0.053 0.000 2.337 2237 Q HA 0.384 4.725 4.340 0.001 0.000 0.270 2237 Q C -0.841 175.145 176.000 -0.024 0.000 1.002 2237 Q CA -0.388 55.391 55.803 -0.040 0.000 0.888 2237 Q CB 1.238 29.965 28.738 -0.018 0.000 1.222 2237 Q HN 0.319 nan 8.270 nan 0.000 0.400 2238 L N 5.469 126.678 121.223 -0.024 0.000 2.349 2238 L HA 0.261 4.602 4.340 0.001 0.000 0.275 2238 L C -2.309 174.557 176.870 -0.005 0.000 1.115 2238 L CA -1.560 53.266 54.840 -0.023 0.000 0.820 2238 L CB 0.793 42.827 42.059 -0.041 0.000 1.135 2238 L HN 0.392 nan 8.230 nan 0.000 0.445 2239 P HA -0.015 nan 4.420 nan 0.000 0.263 2239 P C 0.939 178.237 177.300 -0.003 0.000 1.195 2239 P CA 0.130 63.236 63.100 0.010 0.000 0.762 2239 P CB 0.551 32.251 31.700 -0.001 0.000 0.799 2240 L N 2.951 124.178 121.223 0.006 0.000 2.089 2240 L HA -0.276 4.065 4.340 0.001 0.000 0.213 2240 L C 2.058 178.919 176.870 -0.016 0.000 1.079 2240 L CA 2.441 57.273 54.840 -0.012 0.000 0.758 2240 L CB -0.575 41.473 42.059 -0.018 0.000 0.891 2240 L HN 0.455 nan 8.230 nan 0.000 0.433 2241 S N -1.683 114.010 115.700 -0.011 0.000 2.474 2241 S HA -0.216 4.255 4.470 0.001 0.000 0.235 2241 S C 1.630 176.218 174.600 -0.019 0.000 0.997 2241 S CA 0.789 58.982 58.200 -0.012 0.000 0.949 2241 S CB -0.144 63.051 63.200 -0.007 0.000 0.766 2241 S HN 0.563 nan 8.310 nan 0.000 0.517 2242 Q N -0.279 119.501 119.800 -0.034 0.000 2.408 2242 Q HA 0.291 4.632 4.340 0.001 0.000 0.205 2242 Q C 1.771 177.720 176.000 -0.086 0.000 0.919 2242 Q CA 0.031 55.795 55.803 -0.065 0.000 0.932 2242 Q CB -0.129 28.558 28.738 -0.085 0.000 1.058 2242 Q HN 0.427 nan 8.270 nan 0.000 0.517 2243 L N 1.662 122.854 121.223 -0.052 0.000 2.013 2243 L HA -0.243 4.098 4.340 0.001 0.000 0.212 2243 L C 2.139 179.001 176.870 -0.013 0.000 1.073 2243 L CA 1.980 56.797 54.840 -0.039 0.000 0.753 2243 L CB -0.464 41.593 42.059 -0.005 0.000 0.890 2243 L HN 0.237 nan 8.230 nan 0.000 0.432 2244 E N -1.015 119.209 120.200 0.039 0.000 2.038 2244 E HA -0.218 4.133 4.350 0.001 0.000 0.195 2244 E C 2.083 178.725 176.600 0.069 0.000 1.000 2244 E CA 1.246 57.723 56.400 0.128 0.000 0.803 2244 E CB -0.523 29.273 29.700 0.159 0.000 0.750 2244 E HN 0.610 nan 8.360 nan 0.000 0.448 2245 G N 1.203 110.009 108.800 0.009 0.000 2.442 2245 G HA2 -0.253 3.707 3.960 0.001 0.000 0.219 2245 G HA3 -0.253 3.707 3.960 0.001 0.000 0.219 2245 G C 1.607 176.439 174.900 -0.113 0.000 1.141 2245 G CA 0.935 46.021 45.100 -0.023 0.000 0.763 2245 G HN 0.270 nan 8.290 nan 0.000 0.554 2246 I N 0.250 120.674 120.570 -0.243 0.000 2.286 2246 I HA -0.066 4.104 4.170 0.001 0.000 0.245 2246 I C 2.635 178.663 176.117 -0.149 0.000 1.104 2246 I CA 0.602 61.678 61.300 -0.374 0.000 1.397 2246 I CB -0.121 37.605 38.000 -0.456 0.000 1.072 2246 I HN 0.156 nan 8.210 nan 0.000 0.417 2247 I N 0.563 121.040 120.570 -0.155 0.000 2.179 2247 I HA -0.284 3.886 4.170 0.001 0.000 0.242 2247 I C 2.604 178.529 176.117 -0.319 0.000 1.088 2247 I CA 1.290 62.441 61.300 -0.248 0.000 1.357 2247 I CB -0.292 37.480 38.000 -0.382 0.000 1.051 2247 I HN 0.214 nan 8.210 nan 0.000 0.409 2248 E N 1.583 121.643 120.200 -0.232 0.000 2.085 2248 E HA -0.223 4.128 4.350 0.001 0.000 0.194 2248 E C 2.056 178.655 176.600 -0.001 0.000 0.994 2248 E CA 1.847 58.215 56.400 -0.052 0.000 0.801 2248 E CB -0.195 29.599 29.700 0.157 0.000 0.743 2248 E HN 0.424 nan 8.360 nan 0.000 0.453 2249 A N 1.158 124.004 122.820 0.044 0.000 1.898 2249 A HA -0.102 4.218 4.320 0.001 0.000 0.216 2249 A C 2.370 180.001 177.584 0.078 0.000 1.181 2249 A CA 1.626 53.740 52.037 0.129 0.000 0.620 2249 A CB -0.955 18.265 19.000 0.367 0.000 0.819 2249 A HN 0.532 nan 8.150 nan 0.000 0.442 2250 I N -2.935 117.662 120.570 0.044 0.000 2.546 2250 I HA -0.085 4.085 4.170 0.001 0.000 0.255 2250 I C 2.004 178.029 176.117 -0.152 0.000 1.163 2250 I CA 1.022 62.313 61.300 -0.014 0.000 1.457 2250 I CB -0.428 37.588 38.000 0.028 0.000 1.092 2250 I HN 0.190 nan 8.210 nan 0.000 0.434 2251 L N 1.210 122.329 121.223 -0.174 0.000 2.056 2251 L HA -0.113 4.228 4.340 0.001 0.000 0.207 2251 L C 2.701 179.503 176.870 -0.113 0.000 1.078 2251 L CA 1.501 56.220 54.840 -0.202 0.000 0.749 2251 L CB -0.504 41.468 42.059 -0.146 0.000 0.901 2251 L HN 0.257 nan 8.230 nan 0.000 0.433 2252 E N 0.362 120.532 120.200 -0.051 0.000 2.051 2252 E HA -0.209 4.142 4.350 0.001 0.000 0.192 2252 E C 2.257 178.833 176.600 -0.041 0.000 0.991 2252 E CA 1.238 57.623 56.400 -0.026 0.000 0.799 2252 E CB -0.096 29.609 29.700 0.008 0.000 0.748 2252 E HN 0.447 nan 8.360 nan 0.000 0.449 2253 I N 0.859 121.406 120.570 -0.038 0.000 2.179 2253 I HA -0.285 3.885 4.170 0.001 0.000 0.242 2253 I C 2.755 178.840 176.117 -0.052 0.000 1.088 2253 I CA 1.110 62.388 61.300 -0.037 0.000 1.357 2253 I CB -0.273 37.711 38.000 -0.027 0.000 1.051 2253 I HN 0.039 nan 8.210 nan 0.000 0.409 2254 R N 1.030 121.478 120.500 -0.087 0.000 2.091 2254 R HA -0.238 4.103 4.340 0.001 0.000 0.238 2254 R C 2.379 178.588 176.300 -0.152 0.000 1.136 2254 R CA 1.712 57.751 56.100 -0.102 0.000 0.959 2254 R CB -0.279 29.875 30.300 -0.242 0.000 0.856 2254 R HN 0.266 nan 8.270 nan 0.000 0.437 2255 E N 0.265 120.385 120.200 -0.132 0.000 2.058 2255 E HA -0.161 4.189 4.350 0.001 0.000 0.194 2255 E C 1.860 178.377 176.600 -0.138 0.000 0.997 2255 E CA 1.788 58.114 56.400 -0.123 0.000 0.801 2255 E CB -0.006 29.648 29.700 -0.078 0.000 0.746 2255 E HN 0.296 nan 8.360 nan 0.000 0.450 2256 V N 0.926 120.779 119.914 -0.102 0.000 2.346 2256 V HA -0.136 3.984 4.120 0.001 0.000 0.244 2256 V C 2.548 178.587 176.094 -0.091 0.000 1.037 2256 V CA 1.606 63.858 62.300 -0.078 0.000 1.029 2256 V CB -0.775 31.035 31.823 -0.022 0.000 0.663 2256 V HN 0.327 nan 8.190 nan 0.000 0.454 2257 A N 0.911 123.678 122.820 -0.087 0.000 1.969 2257 A HA -0.165 4.156 4.320 0.001 0.000 0.218 2257 A C 2.494 179.803 177.584 -0.457 0.000 1.169 2257 A CA 1.828 53.831 52.037 -0.057 0.000 0.635 2257 A CB -0.731 18.306 19.000 0.062 0.000 0.810 2257 A HN 0.674 nan 8.150 nan 0.000 0.445 2258 S N 0.392 115.591 115.700 -0.834 0.000 2.440 2258 S HA -0.265 4.206 4.470 0.001 0.000 0.240 2258 S C 1.811 175.909 174.600 -0.837 0.000 1.014 2258 S CA 1.660 58.965 58.200 -1.491 0.000 0.980 2258 S CB -0.464 62.278 63.200 -0.763 0.000 0.775 2258 S HN 0.679 nan 8.310 nan 0.000 0.499 2259 K N 0.535 120.570 120.400 -0.608 0.000 2.211 2259 K HA -0.130 4.191 4.320 0.001 0.000 0.204 2259 K C 0.783 176.982 176.600 -0.668 0.000 1.047 2259 K CA 1.385 57.286 56.287 -0.644 0.000 0.935 2259 K CB -0.236 31.758 32.500 -0.844 0.000 0.728 2259 K HN 0.652 nan 8.250 nan 0.000 0.452 2260 Y N -0.769 119.420 120.300 -0.184 0.000 2.507 2260 Y HA 0.147 4.698 4.550 0.001 0.000 0.254 2260 Y C -0.353 175.602 175.900 0.092 0.000 1.171 2260 Y CA -1.081 56.993 58.100 -0.043 0.000 1.238 2260 Y CB 0.261 38.706 38.460 -0.024 0.000 1.148 2260 Y HN -0.134 nan 8.280 nan 0.000 0.525 2261 Y N 2.268 122.609 120.300 0.069 0.000 2.650 2261 Y HA 0.062 4.613 4.550 0.001 0.000 0.331 2261 Y C 0.661 176.581 175.900 0.033 0.000 1.165 2261 Y CA -1.022 57.104 58.100 0.044 0.000 1.473 2261 Y CB -0.270 38.203 38.460 0.021 0.000 1.224 2261 Y HN 0.145 nan 8.280 nan 0.000 0.533 2262 E N 0.949 121.259 120.200 0.183 0.000 2.413 2262 E HA 0.071 4.422 4.350 0.001 0.000 0.263 2262 E C -0.011 176.632 176.600 0.071 0.000 1.015 2262 E CA 0.094 56.554 56.400 0.099 0.000 0.916 2262 E CB 0.226 29.961 29.700 0.058 0.000 0.947 2262 E HN 0.421 nan 8.360 nan 0.000 0.440 2263 T N 4.192 118.777 114.554 0.052 0.000 2.829 2263 T HA 0.260 4.611 4.350 0.001 0.000 0.293 2263 T C 0.159 174.865 174.700 0.011 0.000 0.970 2263 T CA 0.276 62.396 62.100 0.034 0.000 1.168 2263 T CB -0.107 68.777 68.868 0.026 0.000 0.911 2263 T HN 0.244 nan 8.240 nan 0.000 0.535 2264 I N 0.000 120.570 120.570 0.001 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.283 61.300 -0.028 0.000 1.566 2264 I CB 0.000 37.967 38.000 -0.055 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494