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 1x8m_1_B DATA FIRST_RESID 2002 DATA SEQUENCE SLDVRQSIHS AHAKTLDTQG LRNEFLVEKV FVADEYTMVY SHIDRIIVGG DATA SEQUENCE IMPITKTVSV GGEVGKQLGV SYFLERRELG VINIGGAGTI TVDGQCYEIG DATA SEQUENCE HRDALYVGKG AKEVVFASID TGTPAKFYYN CAPAHTTYPT KKVTPDEVSP DATA SEQUENCE VTLGDNLTSN RRTINKYFVP DVLETCQLSM GLTELAPGNL WNTXXXXXXX DATA SEQUENCE XRMEVYFYFN MDDDACVFHM MGQPQETRHI VMHNEQAVIS PSWSIHSGVG DATA SEQUENCE TKAYTFIWGM VGENQVF 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 2002 S HA 0.000 nan 4.470 nan 0.000 0.327 2002 S C 0.000 174.600 174.600 -0.000 0.000 1.055 2002 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 2002 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 2003 L N 3.203 124.427 121.223 0.001 0.000 2.272 2003 L HA 0.624 4.964 4.340 0.000 0.000 0.289 2003 L C -0.399 176.484 176.870 0.022 0.000 1.032 2003 L CA -0.098 54.751 54.840 0.015 0.000 0.810 2003 L CB 1.237 43.291 42.059 -0.008 0.000 1.205 2003 L HN 0.119 nan 8.230 nan 0.000 0.422 2004 D N 4.308 124.733 120.400 0.041 0.000 2.346 2004 D HA 0.095 4.735 4.640 0.000 0.000 0.267 2004 D C -0.753 175.592 176.300 0.074 0.000 1.320 2004 D CA 0.269 54.297 54.000 0.046 0.000 0.951 2004 D CB 0.352 41.178 40.800 0.042 0.000 1.079 2004 D HN 0.273 nan 8.370 nan 0.000 0.509 2005 V N 5.764 125.718 119.914 0.067 0.000 2.435 2005 V HA 0.457 4.577 4.120 0.000 0.000 0.290 2005 V C 0.369 176.537 176.094 0.123 0.000 1.030 2005 V CA -0.818 61.547 62.300 0.108 0.000 0.881 2005 V CB 1.683 33.547 31.823 0.069 0.000 0.983 2005 V HN 0.341 nan 8.190 nan 0.000 0.445 2006 R N 3.757 124.349 120.500 0.154 0.000 2.393 2006 R HA 0.475 4.815 4.340 0.000 0.000 0.315 2006 R C -0.377 176.053 176.300 0.217 0.000 0.952 2006 R CA -0.501 55.666 56.100 0.112 0.000 0.842 2006 R CB 1.620 31.944 30.300 0.041 0.000 1.163 2006 R HN 0.744 nan 8.270 nan 0.000 0.450 2007 Q N 0.738 120.659 119.800 0.201 0.000 2.317 2007 Q HA 0.267 4.607 4.340 0.000 0.000 0.229 2007 Q C 0.018 176.124 176.000 0.177 0.000 0.984 2007 Q CA -0.404 55.544 55.803 0.242 0.000 0.911 2007 Q CB 0.919 29.733 28.738 0.127 0.000 1.217 2007 Q HN 0.607 nan 8.270 nan 0.000 0.501 2008 S N 0.953 116.773 115.700 0.201 0.000 2.513 2008 S HA 0.565 5.036 4.470 0.000 0.000 0.276 2008 S C -0.021 174.726 174.600 0.246 0.000 1.254 2008 S CA -0.890 57.441 58.200 0.218 0.000 1.053 2008 S CB 0.155 63.489 63.200 0.224 0.000 0.958 2008 S HN 0.560 nan 8.310 nan 0.000 0.491 2009 I N 0.093 120.858 120.570 0.325 0.000 2.493 2009 I HA 0.495 4.665 4.170 0.000 0.000 0.298 2009 I C 0.091 176.499 176.117 0.484 0.000 0.998 2009 I CA -0.917 60.614 61.300 0.387 0.000 1.137 2009 I CB 1.419 39.581 38.000 0.270 0.000 1.310 2009 I HN 0.711 nan 8.210 nan 0.000 0.445 2010 H N 4.303 123.534 119.070 0.269 0.000 2.790 2010 H HA 0.066 4.622 4.556 0.000 0.000 0.358 2010 H C 1.033 176.267 175.328 -0.157 0.000 1.103 2010 H CA 0.883 56.980 56.048 0.081 0.000 1.426 2010 H CB 1.687 31.487 29.762 0.063 0.000 1.424 2010 H HN 0.925 nan 8.280 nan 0.000 0.599 2011 S N 3.239 118.556 115.700 -0.638 0.000 2.382 2011 S HA -0.173 4.297 4.470 0.000 0.000 0.228 2011 S C 2.204 176.652 174.600 -0.253 0.000 1.027 2011 S CA 0.801 58.375 58.200 -1.044 0.000 0.991 2011 S CB -0.409 61.974 63.200 -1.361 0.000 0.823 2011 S HN 0.658 nan 8.310 nan 0.000 0.469 2012 A N 1.425 124.364 122.820 0.198 0.000 2.015 2012 A HA -0.078 4.242 4.320 0.000 0.000 0.219 2012 A C 2.105 179.736 177.584 0.078 0.000 1.163 2012 A CA 1.686 53.756 52.037 0.056 0.000 0.646 2012 A CB -0.984 17.975 19.000 -0.068 0.000 0.806 2012 A HN 0.709 nan 8.150 nan 0.000 0.448 2013 H N -0.084 118.996 119.070 0.017 0.000 2.415 2013 H HA 0.261 4.817 4.556 0.000 0.000 0.297 2013 H C 2.062 177.445 175.328 0.092 0.000 1.048 2013 H CA 1.319 57.389 56.048 0.037 0.000 1.365 2013 H CB -0.378 29.425 29.762 0.068 0.000 1.421 2013 H HN 0.318 nan 8.280 nan 0.000 0.533 2014 A N 1.161 124.010 122.820 0.049 0.000 1.930 2014 A HA -0.118 4.202 4.320 0.000 0.000 0.217 2014 A C 2.365 180.002 177.584 0.088 0.000 1.175 2014 A CA 1.500 53.598 52.037 0.101 0.000 0.627 2014 A CB -0.570 18.646 19.000 0.360 0.000 0.815 2014 A HN 0.487 nan 8.150 nan 0.000 0.443 2015 K N -0.035 120.389 120.400 0.040 0.000 2.113 2015 K HA -0.193 4.127 4.320 0.000 0.000 0.208 2015 K C 1.816 178.443 176.600 0.045 0.000 1.047 2015 K CA 2.025 58.331 56.287 0.031 0.000 0.928 2015 K CB -0.300 32.201 32.500 0.001 0.000 0.716 2015 K HN 0.602 nan 8.250 nan 0.000 0.446 2016 T N -1.186 113.407 114.554 0.064 0.000 3.129 2016 T HA 0.163 4.513 4.350 0.000 0.000 0.251 2016 T C 0.750 175.490 174.700 0.067 0.000 1.117 2016 T CA -0.297 61.844 62.100 0.067 0.000 1.034 2016 T CB -0.152 68.772 68.868 0.092 0.000 0.968 2016 T HN 0.027 nan 8.240 nan 0.000 0.526 2017 L N 3.385 124.644 121.223 0.061 0.000 2.416 2017 L HA 0.326 4.667 4.340 0.000 0.000 0.272 2017 L C 0.681 177.584 176.870 0.054 0.000 1.161 2017 L CA -0.794 54.080 54.840 0.056 0.000 0.845 2017 L CB 0.402 42.499 42.059 0.064 0.000 1.119 2017 L HN 0.419 nan 8.230 nan 0.000 0.464 2018 D N 0.784 121.213 120.400 0.047 0.000 2.478 2018 D HA 0.090 4.730 4.640 0.000 0.000 0.269 2018 D C 0.937 177.259 176.300 0.037 0.000 1.232 2018 D CA -0.547 53.474 54.000 0.035 0.000 1.059 2018 D CB 0.303 41.122 40.800 0.032 0.000 1.104 2018 D HN 0.434 nan 8.370 nan 0.000 0.566 2019 T N -0.722 113.847 114.554 0.026 0.000 2.607 2019 T HA -0.249 4.101 4.350 0.000 0.000 0.267 2019 T C 1.594 176.322 174.700 0.046 0.000 1.049 2019 T CA 2.316 64.434 62.100 0.029 0.000 1.162 2019 T CB -0.396 68.490 68.868 0.030 0.000 0.863 2019 T HN 0.454 nan 8.240 nan 0.000 0.424 2020 Q N 0.758 120.583 119.800 0.041 0.000 2.170 2020 Q HA 0.013 4.354 4.340 0.000 0.000 0.203 2020 Q C 2.351 178.377 176.000 0.043 0.000 0.976 2020 Q CA 1.874 57.700 55.803 0.040 0.000 0.858 2020 Q CB -1.013 27.743 28.738 0.031 0.000 0.907 2020 Q HN 0.556 nan 8.270 nan 0.000 0.433 2021 G N 0.112 108.940 108.800 0.046 0.000 2.421 2021 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 2021 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 2021 G C 1.331 176.267 174.900 0.061 0.000 1.171 2021 G CA 0.890 46.015 45.100 0.041 0.000 0.775 2021 G HN 0.392 nan 8.290 nan 0.000 0.543 2022 L N -0.229 121.069 121.223 0.125 0.000 2.046 2022 L HA -0.040 4.300 4.340 0.000 0.000 0.208 2022 L C 3.201 180.225 176.870 0.256 0.000 1.077 2022 L CA 0.962 55.967 54.840 0.275 0.000 0.747 2022 L CB -0.303 41.892 42.059 0.227 0.000 0.896 2022 L HN 0.144 nan 8.230 nan 0.000 0.432 2023 R N 0.109 120.691 120.500 0.137 0.000 2.073 2023 R HA -0.148 4.192 4.340 0.000 0.000 0.234 2023 R C 1.995 178.331 176.300 0.060 0.000 1.134 2023 R CA 1.819 57.981 56.100 0.103 0.000 0.952 2023 R CB -0.618 29.721 30.300 0.066 0.000 0.850 2023 R HN 0.536 nan 8.270 nan 0.000 0.433 2024 N N 0.032 118.746 118.700 0.023 0.000 2.223 2024 N HA -0.149 4.592 4.740 0.000 0.000 0.185 2024 N C 1.513 176.976 175.510 -0.078 0.000 1.016 2024 N CA 0.743 53.784 53.050 -0.014 0.000 0.863 2024 N CB 0.106 38.586 38.487 -0.011 0.000 0.983 2024 N HN 0.229 nan 8.380 nan 0.000 0.429 2025 E N 0.181 120.268 120.200 -0.188 0.000 2.075 2025 E HA -0.003 4.347 4.350 0.000 0.000 0.190 2025 E C 1.291 177.584 176.600 -0.511 0.000 0.969 2025 E CA 0.909 57.026 56.400 -0.471 0.000 0.815 2025 E CB -0.062 29.092 29.700 -0.909 0.000 0.776 2025 E HN 0.421 nan 8.360 nan 0.000 0.457 2026 F N 0.208 120.181 119.950 0.038 0.000 2.678 2026 F HA 0.237 4.764 4.527 0.000 0.000 0.291 2026 F C 1.283 177.092 175.800 0.014 0.000 1.123 2026 F CA -0.214 57.802 58.000 0.026 0.000 1.395 2026 F CB 0.569 39.583 39.000 0.023 0.000 1.121 2026 F HN -0.115 nan 8.300 nan 0.000 0.592 2027 L N 1.710 123.033 121.223 0.167 0.000 2.350 2027 L HA 0.408 4.748 4.340 0.000 0.000 0.275 2027 L C -0.644 176.268 176.870 0.071 0.000 1.099 2027 L CA -0.436 54.466 54.840 0.104 0.000 0.808 2027 L CB 1.587 43.695 42.059 0.082 0.000 1.149 2027 L HN -0.265 nan 8.230 nan 0.000 0.442 2028 V N 4.765 124.721 119.914 0.071 0.000 2.266 2028 V HA 0.098 4.218 4.120 0.000 0.000 0.271 2028 V C 0.768 176.898 176.094 0.060 0.000 1.032 2028 V CA -0.378 61.957 62.300 0.058 0.000 0.806 2028 V CB 1.193 33.055 31.823 0.065 0.000 1.052 2028 V HN 0.846 nan 8.190 nan 0.000 0.449 2029 E N 3.782 124.009 120.200 0.045 0.000 2.038 2029 E HA -0.112 4.238 4.350 0.000 0.000 0.195 2029 E C 0.568 177.194 176.600 0.043 0.000 1.000 2029 E CA 1.501 57.926 56.400 0.041 0.000 0.803 2029 E CB 0.257 29.974 29.700 0.028 0.000 0.750 2029 E HN 0.612 nan 8.360 nan 0.000 0.448 2030 K N -0.359 120.060 120.400 0.032 0.000 2.425 2030 K HA 0.254 4.574 4.320 0.000 0.000 0.259 2030 K C -0.158 176.442 176.600 -0.001 0.000 0.978 2030 K CA -0.375 55.931 56.287 0.032 0.000 0.883 2030 K CB 2.299 34.818 32.500 0.032 0.000 1.110 2030 K HN -0.084 nan 8.250 nan 0.000 0.436 2031 V N 2.562 122.446 119.914 -0.051 0.000 2.795 2031 V HA 0.137 4.258 4.120 0.000 0.000 0.243 2031 V C 0.128 176.035 176.094 -0.311 0.000 1.069 2031 V CA 0.581 62.723 62.300 -0.264 0.000 1.089 2031 V CB 0.019 31.585 31.823 -0.428 0.000 0.756 2031 V HN 0.566 nan 8.190 nan 0.000 0.471 2032 F N 0.144 120.158 119.950 0.107 0.000 2.427 2032 F HA 0.638 5.165 4.527 0.000 0.000 0.348 2032 F C -0.541 175.292 175.800 0.055 0.000 1.125 2032 F CA -0.867 57.177 58.000 0.074 0.000 0.989 2032 F CB 1.839 40.890 39.000 0.086 0.000 1.165 2032 F HN -0.261 nan 8.300 nan 0.000 0.442 2033 V N 3.398 123.456 119.914 0.240 0.000 2.483 2033 V HA 0.536 4.656 4.120 0.000 0.000 0.297 2033 V C 0.124 176.280 176.094 0.104 0.000 1.027 2033 V CA -1.198 61.178 62.300 0.128 0.000 0.855 2033 V CB 1.517 33.378 31.823 0.063 0.000 0.995 2033 V HN 0.880 nan 8.190 nan 0.000 0.424 2034 A N 3.555 126.421 122.820 0.077 0.000 2.603 2034 A HA 0.195 4.515 4.320 0.000 0.000 0.235 2034 A C 0.910 178.523 177.584 0.048 0.000 1.035 2034 A CA 0.602 52.672 52.037 0.055 0.000 0.755 2034 A CB -0.352 18.672 19.000 0.039 0.000 0.954 2034 A HN 1.082 nan 8.150 nan 0.000 0.511 2035 D N 0.713 121.147 120.400 0.056 0.000 2.860 2035 D HA -0.153 4.487 4.640 0.000 0.000 0.229 2035 D C 0.275 176.606 176.300 0.052 0.000 1.169 2035 D CA 2.116 56.152 54.000 0.059 0.000 0.737 2035 D CB -0.985 39.840 40.800 0.041 0.000 1.080 2035 D HN 0.859 nan 8.370 nan 0.000 0.424 2036 E N -1.268 118.967 120.200 0.058 0.000 2.459 2036 E HA 0.520 4.870 4.350 0.000 0.000 0.275 2036 E C -0.646 176.004 176.600 0.083 0.000 0.987 2036 E CA -1.080 55.324 56.400 0.006 0.000 0.828 2036 E CB 1.621 31.275 29.700 -0.076 0.000 1.428 2036 E HN 0.123 nan 8.360 nan 0.000 0.457 2037 Y N -1.646 118.676 120.300 0.037 0.000 2.462 2037 Y HA 0.654 5.204 4.550 0.000 0.000 0.346 2037 Y C -0.612 175.314 175.900 0.045 0.000 0.976 2037 Y CA -0.865 57.256 58.100 0.036 0.000 1.044 2037 Y CB 1.386 39.828 38.460 -0.030 0.000 1.230 2037 Y HN 0.197 nan 8.280 nan 0.000 0.455 2038 T N 5.703 120.420 114.554 0.272 0.000 2.928 2038 T HA 0.628 4.978 4.350 0.000 0.000 0.284 2038 T C -0.989 173.881 174.700 0.283 0.000 1.008 2038 T CA -0.590 61.602 62.100 0.154 0.000 1.057 2038 T CB 0.745 69.638 68.868 0.042 0.000 1.018 2038 T HN 0.825 nan 8.240 nan 0.000 0.493 2039 M N 3.106 122.819 119.600 0.188 0.000 2.265 2039 M HA 0.501 4.981 4.480 0.000 0.000 0.262 2039 M C -2.281 174.086 176.300 0.112 0.000 1.026 2039 M CA -0.489 54.933 55.300 0.203 0.000 0.987 2039 M CB 1.202 33.989 32.600 0.313 0.000 1.937 2039 M HN 0.349 nan 8.290 nan 0.000 0.481 2040 V N 4.855 124.806 119.914 0.062 0.000 2.487 2040 V HA 0.427 4.547 4.120 0.000 0.000 0.298 2040 V C -1.461 174.687 176.094 0.089 0.000 1.028 2040 V CA -0.578 61.760 62.300 0.062 0.000 0.860 2040 V CB 1.814 33.646 31.823 0.015 0.000 0.991 2040 V HN 0.783 nan 8.190 nan 0.000 0.427 2041 Y N 3.688 123.978 120.300 -0.018 0.000 2.342 2041 Y HA 0.582 5.132 4.550 0.000 0.000 0.338 2041 Y C 0.396 176.246 175.900 -0.083 0.000 0.965 2041 Y CA -0.020 58.050 58.100 -0.051 0.000 1.159 2041 Y CB 1.615 40.030 38.460 -0.075 0.000 1.157 2041 Y HN 0.628 nan 8.280 nan 0.000 0.486 2042 S N 5.279 120.833 115.700 -0.244 0.000 2.433 2042 S HA 0.216 4.686 4.470 0.000 0.000 0.310 2042 S C 0.519 174.998 174.600 -0.202 0.000 1.097 2042 S CA -0.627 57.507 58.200 -0.111 0.000 1.103 2042 S CB 0.351 63.515 63.200 -0.060 0.000 0.992 2042 S HN 0.912 nan 8.310 nan 0.000 0.469 2043 H N 3.909 123.037 119.070 0.096 0.000 2.560 2043 H HA 0.087 4.643 4.556 0.000 0.000 0.283 2043 H C 0.210 175.575 175.328 0.062 0.000 1.028 2043 H CA 0.796 56.925 56.048 0.134 0.000 1.221 2043 H CB 0.042 29.915 29.762 0.186 0.000 1.363 2043 H HN 0.557 nan 8.280 nan 0.000 0.594 2044 I N 2.327 122.966 120.570 0.115 0.000 2.311 2044 I HA -0.072 4.098 4.170 0.000 0.000 0.297 2044 I C 0.161 176.290 176.117 0.020 0.000 1.131 2044 I CA 0.198 61.551 61.300 0.087 0.000 1.289 2044 I CB 0.273 38.320 38.000 0.078 0.000 1.446 2044 I HN 0.092 nan 8.210 nan 0.000 0.524 2045 D N 4.751 125.173 120.400 0.038 0.000 3.012 2045 D HA -0.229 4.411 4.640 0.000 0.000 0.222 2045 D C 0.526 176.789 176.300 -0.061 0.000 1.167 2045 D CA 0.559 54.563 54.000 0.007 0.000 0.854 2045 D CB -0.749 40.053 40.800 0.002 0.000 1.107 2045 D HN 0.714 nan 8.370 nan 0.000 0.421 2046 R N -1.114 119.311 120.500 -0.125 0.000 3.502 2046 R HA -0.209 4.131 4.340 0.000 0.000 0.266 2046 R C 0.364 176.417 176.300 -0.412 0.000 1.077 2046 R CA 0.706 56.589 56.100 -0.361 0.000 0.718 2046 R CB -1.063 29.143 30.300 -0.157 0.000 1.120 2046 R HN 0.350 nan 8.270 nan 0.000 0.457 2047 I N 1.405 121.793 120.570 -0.304 0.000 2.474 2047 I HA 0.187 4.358 4.170 0.000 0.000 0.287 2047 I C 0.775 176.728 176.117 -0.275 0.000 1.048 2047 I CA -0.790 60.378 61.300 -0.220 0.000 1.383 2047 I CB 0.754 38.678 38.000 -0.126 0.000 1.412 2047 I HN 0.096 nan 8.210 nan 0.000 0.531 2048 I N 6.659 127.131 120.570 -0.165 0.000 2.530 2048 I HA 0.658 4.828 4.170 0.000 0.000 0.297 2048 I C -0.831 175.220 176.117 -0.110 0.000 1.011 2048 I CA -0.249 61.003 61.300 -0.079 0.000 1.107 2048 I CB 1.908 39.978 38.000 0.117 0.000 1.285 2048 I HN 0.185 nan 8.210 nan 0.000 0.436 2049 V N 5.756 125.556 119.914 -0.191 0.000 2.914 2049 V HA 1.050 5.170 4.120 0.000 0.000 0.314 2049 V C 0.372 176.098 176.094 -0.615 0.000 1.084 2049 V CA 0.053 62.076 62.300 -0.461 0.000 0.963 2049 V CB 1.199 32.872 31.823 -0.250 0.000 1.025 2049 V HN 1.239 nan 8.190 nan 0.000 0.432 2050 G N 1.028 109.127 108.800 -1.169 0.000 2.349 2050 G HA2 0.649 4.610 3.960 0.000 0.000 0.294 2050 G HA3 0.649 4.610 3.960 0.000 0.000 0.294 2050 G C -0.858 173.595 174.900 -0.746 0.000 1.380 2050 G CA 0.064 44.706 45.100 -0.763 0.000 0.811 2050 G HN 1.125 nan 8.290 nan 0.000 0.519 2051 G N -1.308 107.391 108.800 -0.168 0.000 2.605 2051 G HA2 0.731 4.692 3.960 0.000 0.000 0.296 2051 G HA3 0.731 4.692 3.960 0.000 0.000 0.296 2051 G C -1.342 173.782 174.900 0.373 0.000 1.304 2051 G CA -0.762 44.384 45.100 0.077 0.000 0.941 2051 G HN 0.799 nan 8.290 nan 0.000 0.475 2052 I N 0.847 121.682 120.570 0.442 0.000 2.529 2052 I HA 0.337 4.507 4.170 0.000 0.000 0.284 2052 I C -0.564 175.671 176.117 0.197 0.000 1.088 2052 I CA -0.309 61.121 61.300 0.217 0.000 1.062 2052 I CB 2.278 40.159 38.000 -0.198 0.000 1.218 2052 I HN 0.355 nan 8.210 nan 0.000 0.442 2053 M N 9.210 128.894 119.600 0.139 0.000 2.066 2053 M HA 0.421 4.902 4.480 0.000 0.000 0.264 2053 M C -2.762 173.571 176.300 0.055 0.000 0.886 2053 M CA -1.548 53.739 55.300 -0.021 0.000 0.810 2053 M CB 1.330 33.858 32.600 -0.120 0.000 1.451 2053 M HN 0.126 nan 8.290 nan 0.000 0.373 2054 P HA 0.194 nan 4.420 nan 0.000 0.276 2054 P C -0.415 176.925 177.300 0.067 0.000 1.243 2054 P CA 0.032 63.203 63.100 0.119 0.000 0.768 2054 P CB 1.606 33.420 31.700 0.190 0.000 0.856 2055 I N 2.553 123.154 120.570 0.051 0.000 3.632 2055 I HA -0.009 4.161 4.170 0.000 0.000 0.246 2055 I C 2.100 178.238 176.117 0.034 0.000 1.125 2055 I CA 0.820 62.139 61.300 0.032 0.000 1.519 2055 I CB -0.503 37.509 38.000 0.021 0.000 1.555 2055 I HN 0.286 nan 8.210 nan 0.000 0.452 2056 T N -1.551 113.023 114.554 0.033 0.000 3.044 2056 T HA 0.177 4.527 4.350 0.000 0.000 0.250 2056 T C 0.622 175.342 174.700 0.034 0.000 1.081 2056 T CA 0.116 62.233 62.100 0.029 0.000 1.040 2056 T CB 0.331 69.213 68.868 0.022 0.000 0.962 2056 T HN 0.074 nan 8.240 nan 0.000 0.506 2057 K N -0.354 120.072 120.400 0.044 0.000 2.208 2057 K HA 0.609 4.929 4.320 0.000 0.000 0.241 2057 K C -1.121 175.521 176.600 0.069 0.000 1.087 2057 K CA -0.764 55.552 56.287 0.049 0.000 0.883 2057 K CB 2.167 34.695 32.500 0.047 0.000 1.360 2057 K HN -0.028 nan 8.250 nan 0.000 0.496 2058 T N 0.212 114.809 114.554 0.073 0.000 2.924 2058 T HA 0.571 4.921 4.350 0.000 0.000 0.291 2058 T C -1.584 173.185 174.700 0.115 0.000 1.045 2058 T CA -0.609 61.547 62.100 0.093 0.000 1.015 2058 T CB 1.357 70.261 68.868 0.061 0.000 1.103 2058 T HN 0.214 nan 8.240 nan 0.000 0.496 2059 V N 2.677 122.691 119.914 0.168 0.000 2.588 2059 V HA 0.672 4.792 4.120 0.000 0.000 0.304 2059 V C -0.390 175.835 176.094 0.218 0.000 1.042 2059 V CA -0.705 61.718 62.300 0.205 0.000 0.877 2059 V CB 2.022 33.995 31.823 0.250 0.000 0.996 2059 V HN 0.946 nan 8.190 nan 0.000 0.425 2060 S N 2.510 118.306 115.700 0.160 0.000 2.568 2060 S HA 0.802 5.272 4.470 0.000 0.000 0.293 2060 S C -0.953 173.661 174.600 0.024 0.000 1.089 2060 S CA -0.642 57.607 58.200 0.081 0.000 0.945 2060 S CB 2.254 65.466 63.200 0.020 0.000 1.077 2060 S HN 0.688 nan 8.310 nan 0.000 0.485 2061 V N 1.632 121.518 119.914 -0.045 0.000 2.686 2061 V HA 0.913 5.033 4.120 0.000 0.000 0.306 2061 V C 0.133 176.189 176.094 -0.063 0.000 1.065 2061 V CA 0.541 62.721 62.300 -0.200 0.000 0.894 2061 V CB 1.222 32.805 31.823 -0.399 0.000 1.004 2061 V HN 1.092 nan 8.190 nan 0.000 0.424 2062 G N 4.179 112.949 108.800 -0.050 0.000 3.091 2062 G HA2 0.291 4.251 3.960 0.000 0.000 0.137 2062 G HA3 0.291 4.251 3.960 0.000 0.000 0.137 2062 G C 0.905 175.867 174.900 0.104 0.000 1.180 2062 G CA 0.659 45.800 45.100 0.068 0.000 1.466 2062 G HN 1.293 nan 8.290 nan 0.000 0.704 2063 G N 0.406 109.253 108.800 0.077 0.000 2.414 2063 G HA2 0.017 3.978 3.960 0.000 0.000 0.215 2063 G HA3 0.017 3.978 3.960 0.000 0.000 0.215 2063 G C 1.346 176.275 174.900 0.049 0.000 1.188 2063 G CA 1.609 46.763 45.100 0.090 0.000 0.783 2063 G HN 0.537 nan 8.290 nan 0.000 0.537 2064 E N -0.035 120.178 120.200 0.022 0.000 2.153 2064 E HA -0.074 4.276 4.350 0.000 0.000 0.194 2064 E C 2.672 179.270 176.600 -0.003 0.000 0.988 2064 E CA 0.736 57.146 56.400 0.016 0.000 0.811 2064 E CB -0.046 29.669 29.700 0.026 0.000 0.746 2064 E HN 0.316 nan 8.360 nan 0.000 0.466 2065 V N 0.646 120.527 119.914 -0.056 0.000 2.379 2065 V HA -0.135 3.986 4.120 0.000 0.000 0.245 2065 V C 2.358 178.409 176.094 -0.072 0.000 1.044 2065 V CA 1.857 64.069 62.300 -0.146 0.000 1.036 2065 V CB -0.749 30.796 31.823 -0.463 0.000 0.664 2065 V HN 0.384 nan 8.190 nan 0.000 0.453 2066 G N -0.093 108.709 108.800 0.003 0.000 2.450 2066 G HA2 -0.264 3.697 3.960 0.000 0.000 0.220 2066 G HA3 -0.264 3.697 3.960 0.000 0.000 0.220 2066 G C 1.627 176.539 174.900 0.019 0.000 1.130 2066 G CA 0.915 46.045 45.100 0.049 0.000 0.760 2066 G HN 0.482 nan 8.290 nan 0.000 0.557 2067 K N 0.108 120.516 120.400 0.014 0.000 2.032 2067 K HA -0.136 4.184 4.320 0.000 0.000 0.209 2067 K C 2.691 179.289 176.600 -0.004 0.000 1.048 2067 K CA 1.494 57.785 56.287 0.007 0.000 0.927 2067 K CB -0.243 32.263 32.500 0.010 0.000 0.712 2067 K HN 0.363 nan 8.250 nan 0.000 0.441 2068 Q N 0.416 120.211 119.800 -0.009 0.000 2.234 2068 Q HA -0.121 4.220 4.340 0.000 0.000 0.206 2068 Q C 1.793 177.771 176.000 -0.037 0.000 0.980 2068 Q CA 1.026 56.816 55.803 -0.022 0.000 0.869 2068 Q CB -0.056 28.670 28.738 -0.019 0.000 0.912 2068 Q HN 0.358 nan 8.270 nan 0.000 0.436 2069 L N -1.010 120.207 121.223 -0.010 0.000 2.607 2069 L HA 0.204 4.544 4.340 0.000 0.000 0.228 2069 L C 0.906 177.773 176.870 -0.004 0.000 1.123 2069 L CA 0.207 55.048 54.840 0.002 0.000 0.890 2069 L CB 0.197 42.309 42.059 0.088 0.000 1.103 2069 L HN 0.311 nan 8.230 nan 0.000 0.468 2070 G N 1.311 110.104 108.800 -0.011 0.000 2.212 2070 G HA2 -0.200 3.761 3.960 0.000 0.000 0.255 2070 G HA3 -0.200 3.761 3.960 0.000 0.000 0.255 2070 G C -0.047 174.842 174.900 -0.019 0.000 1.062 2070 G CA 0.242 45.335 45.100 -0.012 0.000 0.815 2070 G HN 0.280 nan 8.290 nan 0.000 0.497 2071 V N -4.713 115.185 119.914 -0.027 0.000 3.181 2071 V HA 0.869 4.989 4.120 0.000 0.000 0.308 2071 V C 1.160 177.220 176.094 -0.056 0.000 1.214 2071 V CA 0.370 62.629 62.300 -0.070 0.000 1.053 2071 V CB 1.098 32.843 31.823 -0.130 0.000 1.069 2071 V HN 0.286 nan 8.190 nan 0.000 0.441 2072 S N 0.409 116.061 115.700 -0.081 0.000 2.368 2072 S HA 0.060 4.530 4.470 0.000 0.000 0.225 2072 S C 0.215 174.922 174.600 0.178 0.000 1.030 2072 S CA 2.296 60.537 58.200 0.068 0.000 0.999 2072 S CB -0.564 62.756 63.200 0.199 0.000 0.844 2072 S HN 1.071 nan 8.310 nan 0.000 0.459 2073 Y N -3.604 116.711 120.300 0.026 0.000 2.571 2073 Y HA 0.517 5.068 4.550 0.000 0.000 0.341 2073 Y C 0.624 176.587 175.900 0.106 0.000 1.076 2073 Y CA -1.862 56.266 58.100 0.046 0.000 1.029 2073 Y CB 0.084 38.555 38.460 0.018 0.000 1.308 2073 Y HN -0.056 nan 8.280 nan 0.000 0.461 2074 F N 1.361 121.324 119.950 0.022 0.000 2.050 2074 F HA -0.309 4.218 4.527 0.000 0.000 0.294 2074 F C 1.038 176.779 175.800 -0.098 0.000 1.113 2074 F CA 1.981 59.946 58.000 -0.057 0.000 1.225 2074 F CB 0.086 39.040 39.000 -0.076 0.000 0.953 2074 F HN 0.520 nan 8.300 nan 0.000 0.501 2075 L N 0.463 121.635 121.223 -0.085 0.000 2.805 2075 L HA 0.040 4.380 4.340 0.000 0.000 0.237 2075 L C 1.520 178.263 176.870 -0.213 0.000 1.252 2075 L CA 0.005 54.692 54.840 -0.255 0.000 1.064 2075 L CB -0.511 41.405 42.059 -0.237 0.000 1.361 2075 L HN 0.343 nan 8.230 nan 0.000 0.474 2076 E N 1.260 121.136 120.200 -0.540 0.000 2.110 2076 E HA -0.122 4.228 4.350 0.000 0.000 0.193 2076 E C 0.994 177.417 176.600 -0.294 0.000 0.988 2076 E CA 0.891 56.827 56.400 -0.773 0.000 0.804 2076 E CB 0.417 29.499 29.700 -1.030 0.000 0.745 2076 E HN 0.397 nan 8.360 nan 0.000 0.458 2077 R N 0.154 120.524 120.500 -0.216 0.000 2.698 2077 R HA 0.332 4.672 4.340 0.000 0.000 0.422 2077 R C -0.450 175.791 176.300 -0.098 0.000 1.073 2077 R CA -0.066 55.971 56.100 -0.106 0.000 1.054 2077 R CB 0.988 31.251 30.300 -0.062 0.000 1.373 2077 R HN -0.011 nan 8.270 nan 0.000 0.593 2078 R N 0.654 121.054 120.500 -0.166 0.000 2.799 2078 R HA 0.295 4.635 4.340 0.000 0.000 0.270 2078 R C -0.781 175.366 176.300 -0.254 0.000 1.010 2078 R CA -0.811 55.164 56.100 -0.208 0.000 0.916 2078 R CB 2.193 32.311 30.300 -0.302 0.000 1.228 2078 R HN 0.163 nan 8.270 nan 0.000 0.469 2079 E N 1.601 121.653 120.200 -0.246 0.000 2.256 2079 E HA 0.522 4.872 4.350 0.000 0.000 0.267 2079 E C -1.399 174.984 176.600 -0.360 0.000 0.892 2079 E CA -0.963 55.251 56.400 -0.309 0.000 0.775 2079 E CB 2.265 31.913 29.700 -0.086 0.000 1.207 2079 E HN 0.198 nan 8.360 nan 0.000 0.420 2080 L N 1.331 122.256 121.223 -0.496 0.000 2.346 2080 L HA 0.705 5.045 4.340 0.000 0.000 0.276 2080 L C -0.588 176.095 176.870 -0.312 0.000 1.006 2080 L CA -0.201 54.424 54.840 -0.357 0.000 0.817 2080 L CB 2.051 43.890 42.059 -0.366 0.000 1.272 2080 L HN 0.759 nan 8.230 nan 0.000 0.421 2081 G N 4.316 113.045 108.800 -0.118 0.000 2.574 2081 G HA2 0.610 4.570 3.960 0.000 0.000 0.306 2081 G HA3 0.610 4.570 3.960 0.000 0.000 0.306 2081 G C -1.694 173.319 174.900 0.188 0.000 1.334 2081 G CA -0.374 44.715 45.100 -0.019 0.000 0.954 2081 G HN 0.514 nan 8.290 nan 0.000 0.500 2082 V N 3.504 123.595 119.914 0.295 0.000 2.604 2082 V HA 0.577 4.697 4.120 0.000 0.000 0.305 2082 V C -0.313 175.911 176.094 0.218 0.000 1.043 2082 V CA -0.700 61.744 62.300 0.240 0.000 0.888 2082 V CB 1.847 33.810 31.823 0.233 0.000 0.995 2082 V HN 0.669 nan 8.190 nan 0.000 0.429 2083 I N 3.339 123.972 120.570 0.105 0.000 2.499 2083 I HA 0.383 4.553 4.170 0.000 0.000 0.288 2083 I C -0.584 175.531 176.117 -0.003 0.000 1.048 2083 I CA -0.583 60.672 61.300 -0.074 0.000 1.062 2083 I CB 2.167 39.959 38.000 -0.345 0.000 1.238 2083 I HN 0.587 nan 8.210 nan 0.000 0.426 2084 N N 5.571 124.256 118.700 -0.025 0.000 2.422 2084 N HA 0.259 4.999 4.740 0.000 0.000 0.264 2084 N C 0.150 175.470 175.510 -0.317 0.000 1.063 2084 N CA 0.046 52.990 53.050 -0.177 0.000 0.959 2084 N CB 1.136 39.526 38.487 -0.162 0.000 1.087 2084 N HN 0.514 nan 8.380 nan 0.000 0.483 2085 I N 2.018 122.382 120.570 -0.344 0.000 3.462 2085 I HA 0.296 4.466 4.170 0.000 0.000 0.290 2085 I C 1.419 177.467 176.117 -0.114 0.000 1.236 2085 I CA 0.270 61.357 61.300 -0.354 0.000 1.418 2085 I CB -0.320 37.435 38.000 -0.408 0.000 1.102 2085 I HN 0.658 nan 8.210 nan 0.000 0.441 2086 G N -0.812 107.878 108.800 -0.183 0.000 2.773 2086 G HA2 0.502 4.462 3.960 0.000 0.000 0.186 2086 G HA3 0.502 4.462 3.960 0.000 0.000 0.186 2086 G C 0.340 175.265 174.900 0.042 0.000 1.411 2086 G CA -0.015 45.038 45.100 -0.078 0.000 1.054 2086 G HN 0.327 nan 8.290 nan 0.000 0.579 2087 G N -1.029 107.732 108.800 -0.064 0.000 2.616 2087 G HA2 0.554 4.514 3.960 0.000 0.000 0.268 2087 G HA3 0.554 4.514 3.960 0.000 0.000 0.268 2087 G C 0.495 175.375 174.900 -0.034 0.000 1.213 2087 G CA 0.371 45.451 45.100 -0.033 0.000 0.926 2087 G HN 1.076 nan 8.290 nan 0.000 0.523 2088 A N -0.988 121.838 122.820 0.011 0.000 2.561 2088 A HA 0.557 4.877 4.320 0.000 0.000 0.234 2088 A C 0.913 178.523 177.584 0.043 0.000 1.055 2088 A CA 0.960 53.022 52.037 0.041 0.000 0.756 2088 A CB -0.141 18.889 19.000 0.049 0.000 0.986 2088 A HN 1.804 nan 8.150 nan 0.000 0.505 2089 G N -0.477 108.389 108.800 0.110 0.000 2.749 2089 G HA2 0.630 4.590 3.960 0.000 0.000 0.300 2089 G HA3 0.630 4.590 3.960 0.000 0.000 0.300 2089 G C -0.911 174.169 174.900 0.299 0.000 1.352 2089 G CA 0.115 45.346 45.100 0.218 0.000 0.789 2089 G HN 0.905 nan 8.290 nan 0.000 0.509 2090 T N -0.171 114.597 114.554 0.357 0.000 2.916 2090 T HA 0.617 4.967 4.350 0.000 0.000 0.305 2090 T C -1.487 173.250 174.700 0.062 0.000 1.119 2090 T CA -0.311 61.908 62.100 0.198 0.000 1.008 2090 T CB 1.408 70.339 68.868 0.105 0.000 1.129 2090 T HN 0.676 nan 8.240 nan 0.000 0.480 2091 I N 2.760 123.306 120.570 -0.041 0.000 2.497 2091 I HA 0.463 4.633 4.170 0.000 0.000 0.284 2091 I C -0.865 175.158 176.117 -0.156 0.000 1.060 2091 I CA -0.297 60.822 61.300 -0.301 0.000 1.071 2091 I CB 1.532 39.272 38.000 -0.433 0.000 1.216 2091 I HN 0.505 nan 8.210 nan 0.000 0.442 2092 T N 6.917 121.330 114.554 -0.234 0.000 2.753 2092 T HA 0.355 4.705 4.350 0.000 0.000 0.297 2092 T C -0.268 174.334 174.700 -0.164 0.000 0.981 2092 T CA -0.314 61.699 62.100 -0.145 0.000 0.956 2092 T CB 1.177 69.965 68.868 -0.134 0.000 0.936 2092 T HN 0.286 nan 8.240 nan 0.000 0.463 2093 V N 4.500 124.377 119.914 -0.062 0.000 2.318 2093 V HA 0.206 4.326 4.120 0.000 0.000 0.271 2093 V C 0.126 176.176 176.094 -0.072 0.000 1.030 2093 V CA -0.789 61.471 62.300 -0.067 0.000 0.844 2093 V CB 0.483 32.327 31.823 0.034 0.000 1.015 2093 V HN 0.921 nan 8.190 nan 0.000 0.460 2094 D N 4.924 125.261 120.400 -0.104 0.000 2.697 2094 D HA -0.205 4.435 4.640 0.000 0.000 0.235 2094 D C 1.356 177.599 176.300 -0.095 0.000 1.167 2094 D CA 1.671 55.609 54.000 -0.103 0.000 0.656 2094 D CB -1.036 39.702 40.800 -0.103 0.000 1.025 2094 D HN 1.249 nan 8.370 nan 0.000 0.419 2095 G N -0.055 108.685 108.800 -0.099 0.000 2.320 2095 G HA2 -0.393 3.568 3.960 0.000 0.000 0.242 2095 G HA3 -0.393 3.568 3.960 0.000 0.000 0.242 2095 G C 0.316 175.143 174.900 -0.121 0.000 1.033 2095 G CA 0.508 45.550 45.100 -0.098 0.000 0.620 2095 G HN 0.603 nan 8.290 nan 0.000 0.517 2096 Q N 0.993 120.709 119.800 -0.141 0.000 2.296 2096 Q HA 0.473 4.813 4.340 0.000 0.000 0.263 2096 Q C 0.420 176.232 176.000 -0.312 0.000 1.026 2096 Q CA -0.228 55.430 55.803 -0.240 0.000 0.912 2096 Q CB 0.354 28.932 28.738 -0.266 0.000 1.198 2096 Q HN 0.561 nan 8.270 nan 0.000 0.407 2097 C N 6.006 125.123 119.300 -0.304 0.000 2.452 2097 C HA 0.487 4.948 4.460 0.000 0.000 0.379 2097 C C -1.145 173.643 174.990 -0.338 0.000 1.275 2097 C CA -0.385 58.496 59.018 -0.228 0.000 2.056 2097 C CB -0.555 27.109 27.740 -0.127 0.000 2.506 2097 C HN 0.826 nan 8.230 nan 0.000 0.560 2098 Y N 3.162 123.434 120.300 -0.048 0.000 2.376 2098 Y HA 0.413 4.964 4.550 0.000 0.000 0.340 2098 Y C 0.341 176.250 175.900 0.015 0.000 0.965 2098 Y CA -0.472 57.619 58.100 -0.014 0.000 1.078 2098 Y CB 1.167 39.615 38.460 -0.020 0.000 1.193 2098 Y HN 0.611 nan 8.280 nan 0.000 0.452 2099 E N 4.631 124.945 120.200 0.190 0.000 2.089 2099 E HA 0.352 4.702 4.350 0.000 0.000 0.284 2099 E C -1.157 175.550 176.600 0.179 0.000 1.023 2099 E CA -0.671 55.821 56.400 0.153 0.000 0.819 2099 E CB 0.743 30.506 29.700 0.105 0.000 1.076 2099 E HN 0.393 nan 8.360 nan 0.000 0.396 2100 I N 0.546 121.242 120.570 0.210 0.000 2.390 2100 I HA 0.392 4.562 4.170 0.000 0.000 0.283 2100 I C 0.598 176.830 176.117 0.192 0.000 1.016 2100 I CA -0.844 60.589 61.300 0.220 0.000 1.151 2100 I CB 1.185 39.364 38.000 0.297 0.000 1.293 2100 I HN 0.353 nan 8.210 nan 0.000 0.458 2101 G N 3.850 112.734 108.800 0.141 0.000 2.563 2101 G HA2 0.109 4.069 3.960 0.000 0.000 0.283 2101 G HA3 0.109 4.069 3.960 0.000 0.000 0.283 2101 G C -0.407 174.560 174.900 0.112 0.000 1.309 2101 G CA -0.592 44.579 45.100 0.119 0.000 1.022 2101 G HN 0.850 nan 8.290 nan 0.000 0.501 2102 H N 0.784 119.865 119.070 0.018 0.000 3.070 2102 H HA -0.012 4.544 4.556 0.000 0.000 0.313 2102 H C 0.694 176.048 175.328 0.043 0.000 0.997 2102 H CA 0.653 56.703 56.048 0.003 0.000 1.438 2102 H CB 0.208 29.974 29.762 0.006 0.000 1.455 2102 H HN 0.596 nan 8.280 nan 0.000 0.575 2103 R N 1.937 122.198 120.500 -0.398 0.000 3.963 2103 R HA -0.171 4.169 4.340 0.000 0.000 0.394 2103 R C -0.658 175.674 176.300 0.054 0.000 1.131 2103 R CA 0.796 56.774 56.100 -0.204 0.000 1.059 2103 R CB -1.890 28.362 30.300 -0.081 0.000 1.614 2103 R HN 0.626 nan 8.270 nan 0.000 0.546 2104 D N 0.071 120.504 120.400 0.055 0.000 2.312 2104 D HA 0.702 5.342 4.640 0.000 0.000 0.248 2104 D C 0.156 176.535 176.300 0.131 0.000 1.086 2104 D CA 0.270 54.355 54.000 0.143 0.000 0.948 2104 D CB 1.441 42.321 40.800 0.133 0.000 1.162 2104 D HN 0.311 nan 8.370 nan 0.000 0.446 2105 A N 0.794 123.723 122.820 0.181 0.000 2.527 2105 A HA 0.733 5.053 4.320 0.000 0.000 0.293 2105 A C -1.736 175.994 177.584 0.243 0.000 1.117 2105 A CA -0.538 51.602 52.037 0.172 0.000 0.723 2105 A CB 1.514 20.544 19.000 0.051 0.000 1.313 2105 A HN 0.390 nan 8.150 nan 0.000 0.411 2106 L N 0.286 121.701 121.223 0.321 0.000 2.455 2106 L HA 0.654 4.994 4.340 0.000 0.000 0.264 2106 L C -1.665 175.304 176.870 0.166 0.000 0.968 2106 L CA -0.327 54.608 54.840 0.159 0.000 0.827 2106 L CB 1.952 43.977 42.059 -0.057 0.000 1.317 2106 L HN 0.765 nan 8.230 nan 0.000 0.407 2107 Y N 4.907 125.112 120.300 -0.158 0.000 2.328 2107 Y HA 0.755 5.306 4.550 0.000 0.000 0.336 2107 Y C -1.401 174.321 175.900 -0.296 0.000 0.960 2107 Y CA -0.773 57.060 58.100 -0.444 0.000 1.134 2107 Y CB 1.624 39.677 38.460 -0.678 0.000 1.166 2107 Y HN 0.350 nan 8.280 nan 0.000 0.464 2108 V N 7.132 126.503 119.914 -0.904 0.000 2.357 2108 V HA 0.558 4.678 4.120 0.000 0.000 0.284 2108 V C 0.638 176.181 176.094 -0.919 0.000 1.018 2108 V CA -0.393 61.492 62.300 -0.691 0.000 0.841 2108 V CB 0.907 32.474 31.823 -0.427 0.000 0.991 2108 V HN 1.028 nan 8.190 nan 0.000 0.437 2109 G N 3.063 111.460 108.800 -0.671 0.000 2.580 2109 G HA2 0.320 4.280 3.960 0.000 0.000 0.278 2109 G HA3 0.320 4.280 3.960 0.000 0.000 0.278 2109 G C -0.108 174.657 174.900 -0.226 0.000 1.212 2109 G CA -0.654 44.203 45.100 -0.406 0.000 0.939 2109 G HN 0.735 nan 8.290 nan 0.000 0.513 2110 K N -0.392 119.931 120.400 -0.130 0.000 2.491 2110 K HA 0.334 4.654 4.320 0.000 0.000 0.279 2110 K C 1.197 177.779 176.600 -0.029 0.000 1.026 2110 K CA 1.143 57.378 56.287 -0.087 0.000 1.070 2110 K CB -0.117 32.345 32.500 -0.064 0.000 0.887 2110 K HN 1.037 nan 8.250 nan 0.000 0.481 2111 G N 2.371 111.203 108.800 0.054 0.000 2.541 2111 G HA2 -0.222 3.738 3.960 0.000 0.000 0.201 2111 G HA3 -0.222 3.738 3.960 0.000 0.000 0.201 2111 G C 0.028 174.986 174.900 0.097 0.000 1.026 2111 G CA -0.146 45.029 45.100 0.125 0.000 0.687 2111 G HN 0.961 nan 8.290 nan 0.000 0.492 2112 A N 1.162 123.986 122.820 0.007 0.000 2.566 2112 A HA 0.488 4.808 4.320 0.000 0.000 0.245 2112 A C 1.523 179.061 177.584 -0.076 0.000 1.056 2112 A CA 1.365 53.363 52.037 -0.065 0.000 0.757 2112 A CB 0.332 19.271 19.000 -0.102 0.000 0.979 2112 A HN 0.290 nan 8.150 nan 0.000 0.508 2113 K N 1.161 121.396 120.400 -0.274 0.000 2.098 2113 K HA 0.042 4.362 4.320 0.000 0.000 0.203 2113 K C 0.614 177.111 176.600 -0.173 0.000 1.051 2113 K CA 1.225 57.220 56.287 -0.486 0.000 0.957 2113 K CB 0.173 32.362 32.500 -0.518 0.000 0.738 2113 K HN 0.885 nan 8.250 nan 0.000 0.447 2114 E N 0.246 120.368 120.200 -0.129 0.000 2.321 2114 E HA 0.282 4.632 4.350 0.000 0.000 0.278 2114 E C -1.722 174.801 176.600 -0.127 0.000 0.902 2114 E CA -0.446 55.901 56.400 -0.088 0.000 0.758 2114 E CB 2.110 31.755 29.700 -0.093 0.000 1.213 2114 E HN -0.263 nan 8.360 nan 0.000 0.426 2115 V N 3.939 123.764 119.914 -0.147 0.000 2.487 2115 V HA 0.432 4.552 4.120 0.000 0.000 0.298 2115 V C -0.505 175.336 176.094 -0.421 0.000 1.028 2115 V CA -0.825 61.284 62.300 -0.319 0.000 0.860 2115 V CB 1.592 33.194 31.823 -0.367 0.000 0.991 2115 V HN 0.506 nan 8.190 nan 0.000 0.427 2116 V N 5.325 124.949 119.914 -0.483 0.000 2.384 2116 V HA 0.521 4.641 4.120 0.000 0.000 0.287 2116 V C -0.601 175.169 176.094 -0.540 0.000 1.020 2116 V CA -0.433 61.648 62.300 -0.366 0.000 0.850 2116 V CB 1.325 33.043 31.823 -0.176 0.000 0.987 2116 V HN 0.652 nan 8.190 nan 0.000 0.436 2117 F N 3.054 122.923 119.950 -0.135 0.000 2.404 2117 F HA 0.828 5.355 4.527 0.000 0.000 0.339 2117 F C 0.515 176.328 175.800 0.022 0.000 1.105 2117 F CA -0.281 57.610 58.000 -0.182 0.000 1.087 2117 F CB 1.812 40.678 39.000 -0.224 0.000 1.143 2117 F HN 0.604 nan 8.300 nan 0.000 0.491 2118 A N 1.318 124.309 122.820 0.286 0.000 2.589 2118 A HA 0.740 5.061 4.320 0.000 0.000 0.296 2118 A C -1.198 176.567 177.584 0.303 0.000 1.062 2118 A CA -0.755 51.431 52.037 0.249 0.000 0.686 2118 A CB 1.200 20.274 19.000 0.124 0.000 1.282 2118 A HN 0.560 nan 8.150 nan 0.000 0.404 2119 S N 0.646 116.461 115.700 0.192 0.000 2.565 2119 S HA 0.542 5.012 4.470 0.000 0.000 0.290 2119 S C 0.704 175.355 174.600 0.085 0.000 1.150 2119 S CA -0.264 58.008 58.200 0.121 0.000 1.058 2119 S CB 1.090 64.322 63.200 0.054 0.000 1.032 2119 S HN 1.074 nan 8.310 nan 0.000 0.510 2120 I N -0.878 119.731 120.570 0.066 0.000 3.850 2120 I HA 0.541 4.711 4.170 0.000 0.000 0.333 2120 I C -0.483 175.652 176.117 0.030 0.000 1.511 2120 I CA -0.091 61.239 61.300 0.050 0.000 1.199 2120 I CB -0.314 37.717 38.000 0.052 0.000 1.217 2120 I HN 0.451 nan 8.210 nan 0.000 0.423 2121 D N 0.608 121.022 120.400 0.024 0.000 2.365 2121 D HA -0.059 4.581 4.640 0.000 0.000 0.131 2121 D C 0.927 177.231 176.300 0.006 0.000 1.072 2121 D CA 0.426 54.433 54.000 0.013 0.000 1.280 2121 D CB 0.691 41.495 40.800 0.007 0.000 2.399 2121 D HN 0.254 nan 8.370 nan 0.000 0.669 2122 T N 0.030 114.589 114.554 0.009 0.000 2.946 2122 T HA -0.016 4.335 4.350 0.000 0.000 0.271 2122 T C 1.936 176.634 174.700 -0.002 0.000 1.104 2122 T CA 1.381 63.484 62.100 0.006 0.000 1.114 2122 T CB -0.178 68.697 68.868 0.011 0.000 0.867 2122 T HN 0.395 nan 8.240 nan 0.000 0.513 2123 G N 1.928 110.726 108.800 -0.003 0.000 2.421 2123 G HA2 -0.012 3.948 3.960 0.000 0.000 0.216 2123 G HA3 -0.012 3.948 3.960 0.000 0.000 0.216 2123 G C 1.071 175.963 174.900 -0.013 0.000 1.171 2123 G CA 1.080 46.177 45.100 -0.005 0.000 0.775 2123 G HN 0.778 nan 8.290 nan 0.000 0.543 2124 T N -0.425 114.117 114.554 -0.020 0.000 3.410 2124 T HA 0.531 4.882 4.350 0.000 0.000 0.328 2124 T C -2.709 171.962 174.700 -0.049 0.000 1.567 2124 T CA -1.663 60.418 62.100 -0.033 0.000 1.626 2124 T CB 2.271 71.118 68.868 -0.034 0.000 0.939 2124 T HN 0.088 nan 8.240 nan 0.000 0.656 2125 P HA 0.249 nan 4.420 nan 0.000 0.269 2125 P C 0.081 177.279 177.300 -0.171 0.000 1.211 2125 P CA -0.145 62.903 63.100 -0.087 0.000 0.781 2125 P CB 0.507 32.160 31.700 -0.078 0.000 0.877 2126 A N 2.477 125.158 122.820 -0.232 0.000 2.340 2126 A HA 0.307 4.627 4.320 0.000 0.000 0.268 2126 A C 0.186 177.374 177.584 -0.660 0.000 1.100 2126 A CA -0.320 51.422 52.037 -0.492 0.000 0.803 2126 A CB 0.022 18.602 19.000 -0.699 0.000 1.043 2126 A HN 0.461 nan 8.150 nan 0.000 0.488 2127 K N 1.984 121.902 120.400 -0.803 0.000 2.530 2127 K HA 0.337 4.657 4.320 0.000 0.000 0.230 2127 K C -1.735 174.439 176.600 -0.710 0.000 1.002 2127 K CA 0.062 55.714 56.287 -1.059 0.000 1.014 2127 K CB 0.892 32.687 32.500 -1.175 0.000 1.286 2127 K HN 0.543 nan 8.250 nan 0.000 0.480 2128 F N 2.590 122.422 119.950 -0.198 0.000 2.413 2128 F HA 0.149 4.676 4.527 0.000 0.000 0.359 2128 F C 0.216 176.129 175.800 0.189 0.000 1.122 2128 F CA -0.640 57.352 58.000 -0.013 0.000 1.160 2128 F CB 0.176 39.084 39.000 -0.152 0.000 1.146 2128 F HN 0.387 nan 8.300 nan 0.000 0.514 2129 Y N 6.216 126.599 120.300 0.139 0.000 2.330 2129 Y HA 0.494 5.044 4.550 0.000 0.000 0.336 2129 Y C -1.052 174.805 175.900 -0.072 0.000 1.036 2129 Y CA -1.487 56.515 58.100 -0.162 0.000 1.125 2129 Y CB 0.559 38.696 38.460 -0.539 0.000 1.194 2129 Y HN 0.525 nan 8.280 nan 0.000 0.469 2130 Y N 2.994 122.694 120.300 -1.001 0.000 2.581 2130 Y HA 0.707 5.257 4.550 0.000 0.000 0.345 2130 Y C -1.778 173.679 175.900 -0.738 0.000 1.036 2130 Y CA -1.475 56.225 58.100 -0.667 0.000 1.042 2130 Y CB 1.376 39.646 38.460 -0.316 0.000 1.289 2130 Y HN 0.546 nan 8.280 nan 0.000 0.471 2131 N N 0.941 119.453 118.700 -0.313 0.000 2.258 2131 N HA 0.549 5.289 4.740 0.000 0.000 0.299 2131 N C -1.987 173.521 175.510 -0.003 0.000 1.047 2131 N CA -0.419 52.495 53.050 -0.227 0.000 0.814 2131 N CB 2.127 40.523 38.487 -0.151 0.000 1.413 2131 N HN 0.969 nan 8.380 nan 0.000 0.478 2132 C N 2.036 121.342 119.300 0.010 0.000 2.431 2132 C HA 0.934 5.394 4.460 0.000 0.000 0.321 2132 C C -0.680 174.260 174.990 -0.083 0.000 1.202 2132 C CA -0.200 58.797 59.018 -0.035 0.000 1.398 2132 C CB -0.435 27.319 27.740 0.022 0.000 2.047 2132 C HN 0.785 nan 8.230 nan 0.000 0.465 2133 A N 6.437 129.192 122.820 -0.109 0.000 2.423 2133 A HA 0.955 5.275 4.320 0.000 0.000 0.304 2133 A C -3.023 174.500 177.584 -0.103 0.000 1.104 2133 A CA -1.472 50.507 52.037 -0.097 0.000 0.757 2133 A CB 1.278 20.236 19.000 -0.069 0.000 1.313 2133 A HN 0.653 nan 8.150 nan 0.000 0.423 2134 P HA 0.359 nan 4.420 nan 0.000 0.268 2134 P C -0.714 176.525 177.300 -0.102 0.000 1.205 2134 P CA 0.459 63.523 63.100 -0.059 0.000 0.771 2134 P CB 0.934 32.627 31.700 -0.010 0.000 0.858 2135 A N 2.435 125.215 122.820 -0.067 0.000 2.381 2135 A HA 0.467 4.787 4.320 0.000 0.000 0.299 2135 A C -0.041 177.573 177.584 0.051 0.000 1.049 2135 A CA -0.324 51.669 52.037 -0.073 0.000 0.715 2135 A CB 0.614 19.589 19.000 -0.041 0.000 1.222 2135 A HN 0.559 nan 8.150 nan 0.000 0.428 2136 H N 1.115 120.175 119.070 -0.016 0.000 2.520 2136 H HA 0.156 4.712 4.556 0.000 0.000 0.279 2136 H C 0.358 175.644 175.328 -0.070 0.000 0.990 2136 H CA 1.543 57.571 56.048 -0.033 0.000 1.288 2136 H CB 0.360 30.115 29.762 -0.013 0.000 1.446 2136 H HN 0.622 nan 8.280 nan 0.000 0.538 2137 T N -0.151 114.399 114.554 -0.007 0.000 2.907 2137 T HA 0.411 4.761 4.350 0.000 0.000 0.292 2137 T C 0.118 174.660 174.700 -0.262 0.000 1.043 2137 T CA -1.020 60.977 62.100 -0.173 0.000 1.003 2137 T CB 2.493 71.156 68.868 -0.341 0.000 1.084 2137 T HN 0.188 nan 8.240 nan 0.000 0.483 2138 T N 0.175 114.569 114.554 -0.267 0.000 2.799 2138 T HA 0.631 4.981 4.350 0.000 0.000 0.286 2138 T C -1.023 173.500 174.700 -0.296 0.000 0.973 2138 T CA -0.517 61.469 62.100 -0.190 0.000 1.035 2138 T CB 0.084 68.898 68.868 -0.090 0.000 0.932 2138 T HN 0.552 nan 8.240 nan 0.000 0.469 2139 Y N 2.605 122.955 120.300 0.084 0.000 2.549 2139 Y HA 0.536 5.086 4.550 0.000 0.000 0.339 2139 Y C -1.848 174.128 175.900 0.127 0.000 1.053 2139 Y CA -2.679 55.480 58.100 0.098 0.000 1.105 2139 Y CB 1.830 40.349 38.460 0.098 0.000 1.258 2139 Y HN 0.578 nan 8.280 nan 0.000 0.478 2140 P HA -0.010 nan 4.420 nan 0.000 0.268 2140 P C -0.483 176.942 177.300 0.209 0.000 1.205 2140 P CA -0.021 63.186 63.100 0.178 0.000 0.771 2140 P CB 0.681 32.462 31.700 0.135 0.000 0.858 2141 T N 3.189 117.806 114.554 0.105 0.000 2.930 2141 T HA 0.182 4.532 4.350 0.000 0.000 0.306 2141 T C 0.236 174.961 174.700 0.041 0.000 1.045 2141 T CA 0.405 62.516 62.100 0.019 0.000 1.134 2141 T CB 0.101 68.941 68.868 -0.047 0.000 0.961 2141 T HN 0.444 nan 8.240 nan 0.000 0.545 2142 K N 2.162 122.574 120.400 0.019 0.000 2.543 2142 K HA 0.380 4.701 4.320 0.000 0.000 0.255 2142 K C -1.124 175.471 176.600 -0.009 0.000 0.934 2142 K CA -0.877 55.419 56.287 0.015 0.000 0.810 2142 K CB 1.604 34.155 32.500 0.085 0.000 1.315 2142 K HN 0.482 nan 8.250 nan 0.000 0.433 2143 K N 3.092 123.473 120.400 -0.031 0.000 2.172 2143 K HA 0.404 4.725 4.320 0.000 0.000 0.276 2143 K C -1.339 175.323 176.600 0.104 0.000 1.013 2143 K CA -0.590 55.711 56.287 0.023 0.000 0.913 2143 K CB 1.365 33.886 32.500 0.035 0.000 1.055 2143 K HN 0.315 nan 8.250 nan 0.000 0.461 2144 V N 3.659 123.663 119.914 0.149 0.000 2.525 2144 V HA 0.283 4.403 4.120 0.000 0.000 0.299 2144 V C -0.204 175.931 176.094 0.069 0.000 1.034 2144 V CA -0.844 61.512 62.300 0.094 0.000 0.863 2144 V CB 1.519 33.406 31.823 0.107 0.000 0.999 2144 V HN 1.042 nan 8.190 nan 0.000 0.423 2145 T N 2.153 116.702 114.554 -0.008 0.000 2.952 2145 T HA 0.519 4.869 4.350 0.000 0.000 0.286 2145 T C -2.042 172.574 174.700 -0.139 0.000 1.024 2145 T CA -2.202 59.893 62.100 -0.007 0.000 1.029 2145 T CB 2.193 71.072 68.868 0.018 0.000 1.094 2145 T HN 0.321 nan 8.240 nan 0.000 0.515 2146 P HA -0.149 nan 4.420 nan 0.000 0.217 2146 P C 1.173 178.386 177.300 -0.145 0.000 1.151 2146 P CA 1.175 64.182 63.100 -0.155 0.000 0.849 2146 P CB -0.004 31.682 31.700 -0.023 0.000 0.787 2147 D N -0.142 120.210 120.400 -0.081 0.000 2.137 2147 D HA -0.207 4.433 4.640 0.000 0.000 0.189 2147 D C 1.808 178.058 176.300 -0.083 0.000 0.998 2147 D CA 1.482 55.446 54.000 -0.060 0.000 0.839 2147 D CB -0.578 40.205 40.800 -0.029 0.000 0.962 2147 D HN 0.445 nan 8.370 nan 0.000 0.446 2148 E N 0.832 120.976 120.200 -0.094 0.000 2.333 2148 E HA -0.066 4.284 4.350 0.000 0.000 0.198 2148 E C 0.769 177.286 176.600 -0.139 0.000 1.007 2148 E CA 0.252 56.596 56.400 -0.094 0.000 0.845 2148 E CB -0.003 29.653 29.700 -0.075 0.000 0.766 2148 E HN 0.058 nan 8.360 nan 0.000 0.507 2149 V N 2.064 121.844 119.914 -0.223 0.000 2.614 2149 V HA 0.012 4.133 4.120 0.000 0.000 0.291 2149 V C 0.272 176.276 176.094 -0.150 0.000 1.049 2149 V CA -0.166 61.974 62.300 -0.266 0.000 1.038 2149 V CB 1.558 33.087 31.823 -0.492 0.000 0.980 2149 V HN 0.098 nan 8.190 nan 0.000 0.481 2150 S N 6.765 122.407 115.700 -0.098 0.000 3.170 2150 S HA 0.274 4.744 4.470 0.000 0.000 0.257 2150 S C -2.037 172.546 174.600 -0.028 0.000 1.284 2150 S CA -0.834 57.336 58.200 -0.049 0.000 0.973 2150 S CB 0.166 63.352 63.200 -0.024 0.000 1.330 2150 S HN 0.717 nan 8.310 nan 0.000 0.493 2151 P HA 0.083 nan 4.420 nan 0.000 0.264 2151 P C -0.745 176.565 177.300 0.017 0.000 1.183 2151 P CA -0.047 63.050 63.100 -0.005 0.000 0.763 2151 P CB 0.642 32.335 31.700 -0.011 0.000 0.807 2152 V N 3.759 123.697 119.914 0.040 0.000 2.540 2152 V HA 0.293 4.413 4.120 0.000 0.000 0.302 2152 V C 0.413 176.534 176.094 0.045 0.000 1.035 2152 V CA -0.302 62.025 62.300 0.044 0.000 0.873 2152 V CB 2.037 33.899 31.823 0.065 0.000 0.992 2152 V HN 0.549 nan 8.190 nan 0.000 0.428 2153 T N 6.360 120.932 114.554 0.031 0.000 2.767 2153 T HA 0.723 5.073 4.350 0.000 0.000 0.284 2153 T C -0.651 174.067 174.700 0.029 0.000 0.973 2153 T CA -0.190 61.927 62.100 0.028 0.000 0.996 2153 T CB 1.092 69.971 68.868 0.019 0.000 0.927 2153 T HN 0.229 nan 8.240 nan 0.000 0.456 2154 L N 1.762 123.005 121.223 0.034 0.000 2.322 2154 L HA 0.881 5.221 4.340 0.000 0.000 0.252 2154 L C 0.691 177.580 176.870 0.031 0.000 1.055 2154 L CA 0.129 54.986 54.840 0.030 0.000 0.849 2154 L CB 1.330 43.411 42.059 0.035 0.000 1.446 2154 L HN 0.938 nan 8.230 nan 0.000 0.416 2155 G N 0.889 109.703 108.800 0.024 0.000 2.828 2155 G HA2 0.032 3.992 3.960 0.000 0.000 0.463 2155 G HA3 0.032 3.992 3.960 0.000 0.000 0.463 2155 G C -1.316 173.595 174.900 0.018 0.000 1.394 2155 G CA -0.106 45.009 45.100 0.025 0.000 0.862 2155 G HN 0.805 nan 8.290 nan 0.000 0.540 2156 D N -1.263 119.147 120.400 0.018 0.000 2.756 2156 D HA 0.356 4.997 4.640 0.000 0.000 0.226 2156 D C 1.353 177.665 176.300 0.020 0.000 1.186 2156 D CA -0.377 53.630 54.000 0.013 0.000 0.845 2156 D CB 0.854 41.655 40.800 0.001 0.000 1.610 2156 D HN 0.409 nan 8.370 nan 0.000 0.465 2157 N N 1.445 120.157 118.700 0.019 0.000 2.348 2157 N HA -0.161 4.579 4.740 0.000 0.000 0.185 2157 N C 1.552 177.076 175.510 0.023 0.000 1.019 2157 N CA 0.287 53.352 53.050 0.024 0.000 0.880 2157 N CB 0.352 38.850 38.487 0.018 0.000 0.965 2157 N HN 0.270 nan 8.380 nan 0.000 0.437 2158 L N 1.415 122.644 121.223 0.010 0.000 1.961 2158 L HA -0.126 4.214 4.340 0.000 0.000 0.210 2158 L C 2.270 179.139 176.870 -0.001 0.000 1.072 2158 L CA 1.738 56.579 54.840 0.002 0.000 0.749 2158 L CB -0.991 41.062 42.059 -0.009 0.000 0.889 2158 L HN 0.210 nan 8.230 nan 0.000 0.432 2159 T N -3.750 110.798 114.554 -0.010 0.000 3.160 2159 T HA 0.024 4.374 4.350 0.000 0.000 0.257 2159 T C 1.155 175.868 174.700 0.022 0.000 1.147 2159 T CA 0.656 62.734 62.100 -0.035 0.000 1.064 2159 T CB -0.330 68.499 68.868 -0.065 0.000 0.949 2159 T HN 0.405 nan 8.240 nan 0.000 0.526 2160 S N 0.778 116.519 115.700 0.069 0.000 3.635 2160 S HA -0.242 4.228 4.470 0.000 0.000 0.328 2160 S C 0.797 175.501 174.600 0.173 0.000 1.135 2160 S CA 1.093 59.375 58.200 0.137 0.000 0.942 2160 S CB -2.180 61.161 63.200 0.236 0.000 0.930 2160 S HN 0.881 nan 8.310 nan 0.000 0.512 2161 N N 0.540 119.309 118.700 0.116 0.000 2.349 2161 N HA 0.204 4.944 4.740 0.000 0.000 0.216 2161 N C 0.369 175.928 175.510 0.082 0.000 1.025 2161 N CA -0.196 52.928 53.050 0.123 0.000 1.074 2161 N CB -0.086 38.451 38.487 0.084 0.000 1.323 2161 N HN 0.317 nan 8.380 nan 0.000 0.560 2162 R N 1.969 122.502 120.500 0.055 0.000 2.533 2162 R HA -0.179 4.162 4.340 0.000 0.000 0.280 2162 R C -1.193 175.124 176.300 0.027 0.000 0.989 2162 R CA 0.620 56.741 56.100 0.035 0.000 0.864 2162 R CB -1.039 29.276 30.300 0.026 0.000 2.274 2162 R HN 0.490 nan 8.270 nan 0.000 0.522 2163 R N 0.597 121.117 120.500 0.033 0.000 2.740 2163 R HA 0.618 4.959 4.340 0.000 0.000 0.273 2163 R C -1.160 175.156 176.300 0.026 0.000 0.998 2163 R CA -1.004 55.108 56.100 0.020 0.000 0.900 2163 R CB 1.457 31.786 30.300 0.049 0.000 1.223 2163 R HN 0.189 nan 8.270 nan 0.000 0.466 2164 T N 3.313 117.873 114.554 0.010 0.000 2.758 2164 T HA 0.389 4.739 4.350 0.000 0.000 0.285 2164 T C 0.302 175.025 174.700 0.039 0.000 0.981 2164 T CA -0.754 61.360 62.100 0.024 0.000 0.965 2164 T CB 0.514 69.390 68.868 0.013 0.000 0.927 2164 T HN 0.519 nan 8.240 nan 0.000 0.448 2165 I N 1.506 122.125 120.570 0.083 0.000 2.304 2165 I HA 0.559 4.729 4.170 0.000 0.000 0.291 2165 I C -0.761 175.438 176.117 0.137 0.000 1.018 2165 I CA -0.915 60.474 61.300 0.148 0.000 1.260 2165 I CB 0.649 38.790 38.000 0.234 0.000 1.390 2165 I HN 0.354 nan 8.210 nan 0.000 0.475 2166 N N 6.253 125.033 118.700 0.133 0.000 2.501 2166 N HA 0.313 5.053 4.740 0.000 0.000 0.245 2166 N C -1.133 174.430 175.510 0.088 0.000 0.974 2166 N CA -0.780 52.307 53.050 0.061 0.000 0.941 2166 N CB 1.404 39.918 38.487 0.045 0.000 1.122 2166 N HN 0.534 nan 8.380 nan 0.000 0.507 2167 K N 2.205 122.632 120.400 0.045 0.000 2.273 2167 K HA 0.155 4.475 4.320 0.000 0.000 0.287 2167 K C -0.073 176.450 176.600 -0.128 0.000 1.089 2167 K CA -0.239 56.073 56.287 0.042 0.000 0.909 2167 K CB 0.710 33.288 32.500 0.130 0.000 1.123 2167 K HN 0.596 nan 8.250 nan 0.000 0.473 2168 Y N 1.319 121.381 120.300 -0.397 0.000 2.177 2168 Y HA 0.004 4.554 4.550 0.000 0.000 0.291 2168 Y C 0.571 176.203 175.900 -0.446 0.000 1.117 2168 Y CA 0.640 58.410 58.100 -0.549 0.000 1.114 2168 Y CB 0.318 38.190 38.460 -0.979 0.000 1.017 2168 Y HN 0.378 nan 8.280 nan 0.000 0.505 2169 F N 1.391 121.332 119.950 -0.015 0.000 2.293 2169 F HA 0.497 5.024 4.527 0.000 0.000 0.370 2169 F C -0.474 175.275 175.800 -0.084 0.000 1.090 2169 F CA -0.923 57.024 58.000 -0.090 0.000 1.133 2169 F CB 0.723 39.657 39.000 -0.110 0.000 1.360 2169 F HN -0.314 nan 8.300 nan 0.000 0.489 2170 V N 0.619 120.587 119.914 0.090 0.000 3.216 2170 V HA 0.445 4.565 4.120 0.000 0.000 0.302 2170 V C -2.539 173.553 176.094 -0.005 0.000 1.286 2170 V CA -2.276 60.060 62.300 0.061 0.000 1.048 2170 V CB 1.785 33.670 31.823 0.102 0.000 1.081 2170 V HN 0.130 nan 8.190 nan 0.000 0.442 2171 P HA -0.215 nan 4.420 nan 0.000 0.217 2171 P C 0.823 178.095 177.300 -0.047 0.000 1.158 2171 P CA 2.385 65.454 63.100 -0.052 0.000 0.887 2171 P CB -0.035 31.652 31.700 -0.022 0.000 0.792 2172 D N -1.373 119.018 120.400 -0.015 0.000 2.363 2172 D HA -0.060 4.580 4.640 0.000 0.000 0.226 2172 D C 1.595 177.880 176.300 -0.025 0.000 1.020 2172 D CA 0.384 54.375 54.000 -0.016 0.000 0.892 2172 D CB -0.780 40.020 40.800 0.001 0.000 0.900 2172 D HN 0.182 nan 8.370 nan 0.000 0.531 2173 V N -0.471 119.424 119.914 -0.031 0.000 3.151 2173 V HA 0.341 4.461 4.120 0.000 0.000 0.241 2173 V C 0.326 176.394 176.094 -0.043 0.000 1.173 2173 V CA 0.699 62.980 62.300 -0.032 0.000 1.154 2173 V CB 0.261 32.068 31.823 -0.027 0.000 0.898 2173 V HN 0.357 nan 8.190 nan 0.000 0.473 2174 L N -1.894 119.279 121.223 -0.083 0.000 3.041 2174 L HA 0.660 5.000 4.340 0.000 0.000 0.278 2174 L C -1.435 175.266 176.870 -0.281 0.000 1.051 2174 L CA -0.973 53.773 54.840 -0.157 0.000 0.957 2174 L CB 1.734 43.696 42.059 -0.161 0.000 1.538 2174 L HN -0.015 nan 8.230 nan 0.000 0.393 2175 E N 0.803 120.742 120.200 -0.434 0.000 2.191 2175 E HA 0.646 4.996 4.350 0.000 0.000 0.278 2175 E C -1.059 174.981 176.600 -0.934 0.000 0.972 2175 E CA -0.392 55.580 56.400 -0.714 0.000 0.804 2175 E CB 2.141 31.238 29.700 -1.005 0.000 1.110 2175 E HN 0.763 nan 8.360 nan 0.000 0.394 2176 T N -1.824 112.283 114.554 -0.745 0.000 2.843 2176 T HA 0.250 4.600 4.350 0.000 0.000 0.302 2176 T C 0.624 175.251 174.700 -0.121 0.000 1.232 2176 T CA -0.790 61.052 62.100 -0.430 0.000 1.009 2176 T CB 0.771 69.383 68.868 -0.428 0.000 1.254 2176 T HN 0.540 nan 8.240 nan 0.000 0.504 2177 C N -0.000 119.374 119.300 0.124 0.000 2.518 2177 C HA 0.144 4.604 4.460 0.000 0.000 0.279 2177 C C 2.486 177.480 174.990 0.006 0.000 1.279 2177 C CA 0.584 59.671 59.018 0.115 0.000 1.703 2177 C CB -0.919 26.856 27.740 0.058 0.000 2.072 2177 C HN 0.948 nan 8.230 nan 0.000 0.487 2178 Q N -1.609 118.185 119.800 -0.010 0.000 2.563 2178 Q HA 0.231 4.571 4.340 0.000 0.000 0.236 2178 Q C -0.021 175.982 176.000 0.005 0.000 0.792 2178 Q CA -0.387 55.408 55.803 -0.013 0.000 0.960 2178 Q CB -0.080 28.637 28.738 -0.035 0.000 1.304 2178 Q HN 0.309 nan 8.270 nan 0.000 0.566 2179 L N 1.936 123.161 121.223 0.004 0.000 2.578 2179 L HA 0.021 4.361 4.340 0.000 0.000 0.279 2179 L C -0.793 176.103 176.870 0.043 0.000 1.227 2179 L CA 1.173 56.025 54.840 0.021 0.000 0.900 2179 L CB 0.643 42.711 42.059 0.015 0.000 1.144 2179 L HN -0.055 nan 8.230 nan 0.000 0.496 2180 S N 6.170 121.927 115.700 0.095 0.000 2.672 2180 S HA 0.735 5.205 4.470 0.000 0.000 0.291 2180 S C -0.613 174.029 174.600 0.071 0.000 1.145 2180 S CA -0.659 57.628 58.200 0.145 0.000 1.013 2180 S CB 1.282 64.619 63.200 0.229 0.000 1.017 2180 S HN 0.601 nan 8.310 nan 0.000 0.487 2181 M N 1.964 121.482 119.600 -0.137 0.000 2.593 2181 M HA 0.785 5.265 4.480 0.000 0.000 0.290 2181 M C 0.063 175.527 176.300 -1.393 0.000 1.244 2181 M CA -0.565 54.334 55.300 -0.668 0.000 0.857 2181 M CB 2.721 35.189 32.600 -0.220 0.000 1.738 2181 M HN 0.778 nan 8.290 nan 0.000 0.461 2182 G N 0.893 108.319 108.800 -2.289 0.000 2.649 2182 G HA2 0.730 4.690 3.960 0.000 0.000 0.290 2182 G HA3 0.730 4.690 3.960 0.000 0.000 0.290 2182 G C -2.584 171.598 174.900 -1.197 0.000 1.426 2182 G CA -0.721 43.362 45.100 -1.695 0.000 0.794 2182 G HN 0.739 nan 8.290 nan 0.000 0.483 2183 L N 0.509 121.499 121.223 -0.388 0.000 2.376 2183 L HA 0.766 5.106 4.340 0.000 0.000 0.275 2183 L C -0.802 176.033 176.870 -0.057 0.000 0.987 2183 L CA -0.420 54.303 54.840 -0.195 0.000 0.828 2183 L CB 2.118 44.137 42.059 -0.067 0.000 1.249 2183 L HN 0.527 nan 8.230 nan 0.000 0.409 2184 T N 3.648 118.038 114.554 -0.272 0.000 2.792 2184 T HA 0.355 4.705 4.350 0.000 0.000 0.280 2184 T C -0.988 173.481 174.700 -0.385 0.000 0.990 2184 T CA -0.325 61.583 62.100 -0.320 0.000 0.960 2184 T CB 1.526 70.075 68.868 -0.532 0.000 0.939 2184 T HN 0.613 nan 8.240 nan 0.000 0.439 2185 E N 3.347 123.437 120.200 -0.185 0.000 2.191 2185 E HA 0.437 4.788 4.350 0.000 0.000 0.263 2185 E C -0.832 175.691 176.600 -0.128 0.000 0.881 2185 E CA -0.637 55.661 56.400 -0.170 0.000 0.757 2185 E CB 0.922 30.558 29.700 -0.105 0.000 1.147 2185 E HN 0.510 nan 8.360 nan 0.000 0.414 2186 L N 3.220 124.329 121.223 -0.190 0.000 2.367 2186 L HA 0.360 4.700 4.340 0.000 0.000 0.275 2186 L C 0.359 177.166 176.870 -0.106 0.000 1.129 2186 L CA -0.527 54.217 54.840 -0.159 0.000 0.839 2186 L CB 1.070 42.942 42.059 -0.312 0.000 1.133 2186 L HN 0.633 nan 8.230 nan 0.000 0.453 2187 A N 6.192 128.981 122.820 -0.051 0.000 2.454 2187 A HA 0.378 4.698 4.320 0.000 0.000 0.260 2187 A C -2.166 175.403 177.584 -0.026 0.000 1.106 2187 A CA -1.177 50.843 52.037 -0.029 0.000 0.780 2187 A CB -0.453 18.542 19.000 -0.008 0.000 1.044 2187 A HN 0.466 nan 8.150 nan 0.000 0.498 2188 P HA 0.053 nan 4.420 nan 0.000 0.263 2188 P C 1.188 178.488 177.300 0.001 0.000 1.162 2188 P CA 2.299 65.392 63.100 -0.011 0.000 0.758 2188 P CB 0.377 32.074 31.700 -0.004 0.000 0.773 2189 G N 1.702 110.507 108.800 0.008 0.000 2.234 2189 G HA2 -0.200 3.761 3.960 0.000 0.000 0.235 2189 G HA3 -0.200 3.761 3.960 0.000 0.000 0.235 2189 G C 0.170 175.090 174.900 0.033 0.000 0.997 2189 G CA -0.424 44.687 45.100 0.019 0.000 0.623 2189 G HN 0.599 nan 8.290 nan 0.000 0.514 2190 N N 0.128 118.843 118.700 0.025 0.000 2.443 2190 N HA 0.672 5.412 4.740 0.000 0.000 0.295 2190 N C 0.671 176.204 175.510 0.039 0.000 1.076 2190 N CA -0.175 52.905 53.050 0.050 0.000 0.919 2190 N CB 1.462 39.971 38.487 0.036 0.000 1.176 2190 N HN 0.199 nan 8.380 nan 0.000 0.487 2191 L N -0.415 120.865 121.223 0.095 0.000 3.217 2191 L HA 0.387 4.727 4.340 0.000 0.000 0.288 2191 L C -0.614 176.264 176.870 0.014 0.000 1.202 2191 L CA -0.281 54.590 54.840 0.052 0.000 1.027 2191 L CB 0.351 42.382 42.059 -0.047 0.000 1.427 2191 L HN 0.371 nan 8.230 nan 0.000 0.600 2192 W N 1.596 122.967 121.300 0.119 0.000 2.606 2192 W HA 0.313 4.973 4.660 0.000 0.000 0.332 2192 W C 0.830 177.438 176.519 0.150 0.000 1.052 2192 W CA -0.543 56.876 57.345 0.123 0.000 1.223 2192 W CB 0.950 30.441 29.460 0.052 0.000 1.383 2192 W HN 0.013 nan 8.180 nan 0.000 0.524 2193 N N 1.054 120.017 118.700 0.439 0.000 2.380 2193 N HA 0.321 5.061 4.740 0.000 0.000 0.255 2193 N C -0.658 175.038 175.510 0.310 0.000 1.158 2193 N CA -0.263 53.027 53.050 0.399 0.000 0.878 2193 N CB 0.356 39.125 38.487 0.470 0.000 1.138 2193 N HN 0.359 nan 8.380 nan 0.000 0.509 2204 M N 1.055 120.673 119.600 0.030 0.000 2.578 2204 M HA 0.820 5.300 4.480 0.000 0.000 0.321 2204 M C -1.034 175.259 176.300 -0.012 0.000 1.182 2204 M CA 0.131 55.428 55.300 -0.005 0.000 0.965 2204 M CB 2.212 34.810 32.600 -0.004 0.000 1.694 2204 M HN 0.412 nan 8.290 nan 0.000 0.461 2205 E N 0.927 121.099 120.200 -0.045 0.000 2.393 2205 E HA 0.806 5.156 4.350 0.000 0.000 0.273 2205 E C -1.544 175.057 176.600 0.003 0.000 0.918 2205 E CA -0.975 55.398 56.400 -0.046 0.000 0.773 2205 E CB 2.601 32.235 29.700 -0.110 0.000 1.275 2205 E HN 0.568 nan 8.360 nan 0.000 0.451 2206 V N 1.764 121.639 119.914 -0.066 0.000 2.588 2206 V HA 0.440 4.561 4.120 0.000 0.000 0.304 2206 V C -1.404 174.617 176.094 -0.121 0.000 1.042 2206 V CA -0.829 61.482 62.300 0.018 0.000 0.877 2206 V CB 0.926 32.775 31.823 0.042 0.000 0.996 2206 V HN 0.581 nan 8.190 nan 0.000 0.425 2207 Y N 3.956 124.259 120.300 0.004 0.000 2.328 2207 Y HA 0.574 5.124 4.550 0.000 0.000 0.336 2207 Y C -0.525 175.275 175.900 -0.167 0.000 0.960 2207 Y CA -0.849 57.195 58.100 -0.094 0.000 1.134 2207 Y CB 1.849 40.142 38.460 -0.280 0.000 1.166 2207 Y HN 0.639 nan 8.280 nan 0.000 0.464 2208 F N 4.864 124.667 119.950 -0.245 0.000 2.382 2208 F HA 0.506 5.033 4.527 0.000 0.000 0.361 2208 F C -1.468 174.244 175.800 -0.147 0.000 1.109 2208 F CA -1.110 56.695 58.000 -0.324 0.000 1.031 2208 F CB 0.309 38.757 39.000 -0.920 0.000 1.234 2208 F HN 0.373 nan 8.300 nan 0.000 0.445 2209 Y N 7.283 127.319 120.300 -0.440 0.000 2.336 2209 Y HA 0.418 4.968 4.550 0.000 0.000 0.335 2209 Y C -0.175 175.482 175.900 -0.405 0.000 1.046 2209 Y CA -0.340 57.601 58.100 -0.265 0.000 1.198 2209 Y CB 0.561 38.859 38.460 -0.270 0.000 1.182 2209 Y HN 0.572 nan 8.280 nan 0.000 0.502 2210 F N -1.212 118.637 119.950 -0.168 0.000 2.950 2210 F HA 0.445 4.972 4.527 0.000 0.000 0.327 2210 F C 0.150 175.994 175.800 0.073 0.000 1.197 2210 F CA -2.007 55.925 58.000 -0.113 0.000 0.954 2210 F CB 1.042 40.002 39.000 -0.067 0.000 1.442 2210 F HN 0.495 nan 8.300 nan 0.000 0.509 2211 N N 0.812 119.681 118.700 0.282 0.000 2.740 2211 N HA -0.196 4.544 4.740 0.000 0.000 0.248 2211 N C -1.279 174.273 175.510 0.070 0.000 1.062 2211 N CA 0.685 53.822 53.050 0.145 0.000 0.704 2211 N CB -0.654 37.816 38.487 -0.028 0.000 0.968 2211 N HN 0.723 nan 8.380 nan 0.000 0.547 2212 M N -0.937 118.717 119.600 0.090 0.000 2.457 2212 M HA 0.440 4.920 4.480 0.000 0.000 0.300 2212 M C -0.908 175.428 176.300 0.061 0.000 1.141 2212 M CA -0.936 54.404 55.300 0.066 0.000 0.901 2212 M CB 1.444 34.074 32.600 0.050 0.000 1.687 2212 M HN -0.167 nan 8.290 nan 0.000 0.449 2213 D N 1.904 122.334 120.400 0.049 0.000 2.429 2213 D HA -0.002 4.638 4.640 0.000 0.000 0.233 2213 D C 0.104 176.432 176.300 0.047 0.000 1.202 2213 D CA 0.459 54.486 54.000 0.044 0.000 0.879 2213 D CB 0.522 41.342 40.800 0.034 0.000 1.212 2213 D HN 0.617 nan 8.370 nan 0.000 0.465 2214 D N -0.251 120.176 120.400 0.046 0.000 2.310 2214 D HA -0.095 4.545 4.640 0.000 0.000 0.212 2214 D C 1.009 177.342 176.300 0.055 0.000 0.965 2214 D CA 0.776 54.805 54.000 0.048 0.000 0.879 2214 D CB -0.040 40.779 40.800 0.032 0.000 0.921 2214 D HN 0.491 nan 8.370 nan 0.000 0.510 2215 D N -0.229 120.198 120.400 0.045 0.000 2.360 2215 D HA 0.121 4.761 4.640 0.000 0.000 0.210 2215 D C 0.490 176.815 176.300 0.041 0.000 1.047 2215 D CA -0.188 53.839 54.000 0.045 0.000 0.854 2215 D CB -0.185 40.633 40.800 0.029 0.000 0.936 2215 D HN 0.063 nan 8.370 nan 0.000 0.514 2216 A N 0.000 122.837 122.820 0.028 0.000 2.279 2216 A HA 0.713 5.033 4.320 0.000 0.000 0.303 2216 A C 0.292 177.814 177.584 -0.103 0.000 1.108 2216 A CA -0.272 51.751 52.037 -0.023 0.000 0.830 2216 A CB 0.826 19.816 19.000 -0.016 0.000 1.106 2216 A HN 0.668 nan 8.150 nan 0.000 0.493 2217 C N -1.073 118.085 119.300 -0.235 0.000 3.318 2217 C HA 0.854 5.314 4.460 0.000 0.000 0.322 2217 C C -0.971 173.694 174.990 -0.543 0.000 1.398 2217 C CA -0.702 58.008 59.018 -0.512 0.000 1.339 2217 C CB 0.757 28.034 27.740 -0.772 0.000 1.668 2217 C HN 0.791 nan 8.230 nan 0.000 0.462 2218 V N 0.985 120.437 119.914 -0.771 0.000 2.588 2218 V HA 0.504 4.624 4.120 0.000 0.000 0.304 2218 V C -1.065 174.540 176.094 -0.816 0.000 1.042 2218 V CA -0.096 61.706 62.300 -0.829 0.000 0.877 2218 V CB 1.647 32.678 31.823 -1.320 0.000 0.996 2218 V HN 0.757 nan 8.190 nan 0.000 0.425 2219 F N 3.955 123.567 119.950 -0.565 0.000 2.368 2219 F HA 0.341 4.868 4.527 0.000 0.000 0.362 2219 F C 0.680 176.256 175.800 -0.374 0.000 1.137 2219 F CA -0.167 57.568 58.000 -0.442 0.000 1.161 2219 F CB 0.205 38.913 39.000 -0.486 0.000 1.265 2219 F HN 0.497 nan 8.300 nan 0.000 0.530 2220 H N 5.760 124.660 119.070 -0.283 0.000 2.723 2220 H HA 0.256 4.813 4.556 0.000 0.000 0.294 2220 H C -0.437 174.856 175.328 -0.058 0.000 1.079 2220 H CA -0.650 55.274 56.048 -0.205 0.000 1.411 2220 H CB 0.816 30.463 29.762 -0.192 0.000 1.439 2220 H HN 0.336 nan 8.280 nan 0.000 0.474 2221 M N 7.085 126.434 119.600 -0.419 0.000 2.185 2221 M HA 0.208 4.688 4.480 0.000 0.000 0.357 2221 M C 0.289 176.440 176.300 -0.248 0.000 1.260 2221 M CA -0.066 55.113 55.300 -0.202 0.000 1.124 2221 M CB 0.423 32.955 32.600 -0.114 0.000 1.600 2221 M HN 0.693 nan 8.290 nan 0.000 0.467 2222 M N 0.727 120.278 119.600 -0.082 0.000 3.079 2222 M HA 0.975 5.455 4.480 0.000 0.000 0.277 2222 M C -0.096 176.200 176.300 -0.007 0.000 1.317 2222 M CA -0.397 54.858 55.300 -0.075 0.000 0.793 2222 M CB 2.267 34.800 32.600 -0.111 0.000 1.690 2222 M HN 0.760 nan 8.290 nan 0.000 0.451 2223 G N 0.506 109.343 108.800 0.061 0.000 2.603 2223 G HA2 -0.025 3.935 3.960 0.000 0.000 0.686 2223 G HA3 -0.025 3.935 3.960 0.000 0.000 0.686 2223 G C -1.595 173.473 174.900 0.281 0.000 1.286 2223 G CA -0.734 44.526 45.100 0.266 0.000 0.871 2223 G HN 1.031 nan 8.290 nan 0.000 0.568 2224 Q N 1.207 121.186 119.800 0.298 0.000 2.421 2224 Q HA 0.249 4.589 4.340 0.000 0.000 0.255 2224 Q C -1.003 175.057 176.000 0.099 0.000 1.013 2224 Q CA -0.845 55.084 55.803 0.210 0.000 0.895 2224 Q CB 1.025 29.828 28.738 0.108 0.000 1.271 2224 Q HN 0.434 nan 8.270 nan 0.000 0.460 2225 P HA -0.254 nan 4.420 nan 0.000 0.218 2225 P C 0.459 177.769 177.300 0.015 0.000 1.146 2225 P CA 1.540 64.651 63.100 0.019 0.000 0.820 2225 P CB 0.386 32.089 31.700 0.005 0.000 0.778 2226 Q N -1.041 118.773 119.800 0.023 0.000 2.392 2226 Q HA 0.079 4.419 4.340 0.000 0.000 0.219 2226 Q C 0.804 176.814 176.000 0.017 0.000 0.895 2226 Q CA 0.733 56.544 55.803 0.013 0.000 0.929 2226 Q CB 0.369 29.112 28.738 0.008 0.000 1.077 2226 Q HN 0.339 nan 8.270 nan 0.000 0.532 2227 E N 2.081 122.298 120.200 0.028 0.000 3.351 2227 E HA 0.116 4.466 4.350 0.000 0.000 0.220 2227 E C -0.404 176.222 176.600 0.043 0.000 1.150 2227 E CA -0.109 56.307 56.400 0.027 0.000 1.359 2227 E CB 0.578 30.288 29.700 0.018 0.000 1.365 2227 E HN 0.191 nan 8.360 nan 0.000 0.434 2228 T N -0.578 113.997 114.554 0.035 0.000 2.907 2228 T HA 0.469 4.819 4.350 0.000 0.000 0.298 2228 T C 0.477 175.191 174.700 0.024 0.000 1.017 2228 T CA -0.648 61.474 62.100 0.036 0.000 1.118 2228 T CB 1.601 70.488 68.868 0.031 0.000 0.948 2228 T HN -0.002 nan 8.240 nan 0.000 0.531 2229 R N 1.271 121.778 120.500 0.012 0.000 2.905 2229 R HA 0.542 4.882 4.340 0.000 0.000 0.260 2229 R C -0.761 175.539 176.300 -0.001 0.000 1.086 2229 R CA -0.832 55.240 56.100 -0.047 0.000 0.978 2229 R CB 1.310 31.577 30.300 -0.055 0.000 1.215 2229 R HN 1.052 nan 8.270 nan 0.000 0.480 2230 H N -1.977 117.121 119.070 0.046 0.000 2.821 2230 H HA 0.676 5.232 4.556 0.000 0.000 0.373 2230 H C -0.823 174.525 175.328 0.033 0.000 1.165 2230 H CA -0.853 55.224 56.048 0.047 0.000 1.154 2230 H CB 1.316 31.147 29.762 0.115 0.000 1.765 2230 H HN 0.418 nan 8.280 nan 0.000 0.549 2231 I N 2.469 123.160 120.570 0.201 0.000 2.418 2231 I HA 0.249 4.419 4.170 0.000 0.000 0.287 2231 I C -0.568 175.505 176.117 -0.074 0.000 1.008 2231 I CA -1.313 60.040 61.300 0.089 0.000 1.104 2231 I CB 2.108 40.147 38.000 0.065 0.000 1.264 2231 I HN 0.411 nan 8.210 nan 0.000 0.438 2232 V N 7.301 127.112 119.914 -0.173 0.000 2.479 2232 V HA 0.246 4.366 4.120 0.000 0.000 0.281 2232 V C 0.317 176.148 176.094 -0.439 0.000 1.031 2232 V CA 0.243 62.220 62.300 -0.539 0.000 1.038 2232 V CB 0.574 32.080 31.823 -0.527 0.000 0.981 2232 V HN 0.644 nan 8.190 nan 0.000 0.478 2233 M N 4.641 123.870 119.600 -0.618 0.000 2.393 2233 M HA 0.525 5.005 4.480 0.000 0.000 0.316 2233 M C -0.842 175.091 176.300 -0.613 0.000 1.087 2233 M CA -0.518 54.502 55.300 -0.467 0.000 0.937 2233 M CB 2.149 34.513 32.600 -0.395 0.000 1.668 2233 M HN 0.697 nan 8.290 nan 0.000 0.438 2234 H N 0.028 118.973 119.070 -0.209 0.000 2.630 2234 H HA 0.334 4.890 4.556 0.000 0.000 0.343 2234 H C -0.320 174.938 175.328 -0.117 0.000 1.232 2234 H CA -0.580 55.371 56.048 -0.162 0.000 1.294 2234 H CB 0.617 30.316 29.762 -0.106 0.000 1.746 2234 H HN 0.552 nan 8.280 nan 0.000 0.593 2235 N N 1.220 119.956 118.700 0.059 0.000 2.293 2235 N HA -0.127 4.613 4.740 0.000 0.000 0.253 2235 N C -0.745 174.784 175.510 0.030 0.000 1.248 2235 N CA 0.622 53.696 53.050 0.041 0.000 0.845 2235 N CB 0.046 38.583 38.487 0.084 0.000 1.073 2235 N HN 0.698 nan 8.380 nan 0.000 0.464 2236 E N -0.233 119.924 120.200 -0.071 0.000 2.271 2236 E HA -0.289 4.061 4.350 0.000 0.000 0.223 2236 E C -1.001 175.553 176.600 -0.075 0.000 1.223 2236 E CA 0.612 56.920 56.400 -0.153 0.000 0.704 2236 E CB -0.903 28.952 29.700 0.257 0.000 1.194 2236 E HN 0.649 nan 8.360 nan 0.000 0.375 2237 Q N -0.850 118.817 119.800 -0.222 0.000 2.495 2237 Q HA 0.850 5.190 4.340 0.000 0.000 0.287 2237 Q C -0.866 175.168 176.000 0.057 0.000 1.078 2237 Q CA -0.582 55.233 55.803 0.020 0.000 0.793 2237 Q CB 2.451 31.207 28.738 0.029 0.000 1.459 2237 Q HN 0.181 nan 8.270 nan 0.000 0.422 2238 A N 0.518 123.443 122.820 0.175 0.000 2.469 2238 A HA 0.879 5.199 4.320 0.000 0.000 0.299 2238 A C -1.115 176.530 177.584 0.101 0.000 1.098 2238 A CA -0.635 51.513 52.037 0.184 0.000 0.737 2238 A CB 1.606 20.791 19.000 0.309 0.000 1.312 2238 A HN 0.447 nan 8.150 nan 0.000 0.414 2239 V N -0.502 119.450 119.914 0.063 0.000 2.760 2239 V HA 0.611 4.731 4.120 0.000 0.000 0.309 2239 V C -0.742 175.405 176.094 0.089 0.000 1.077 2239 V CA -0.859 61.457 62.300 0.027 0.000 0.910 2239 V CB 1.580 33.277 31.823 -0.210 0.000 1.008 2239 V HN 0.646 nan 8.190 nan 0.000 0.424 2240 I N 2.811 123.476 120.570 0.158 0.000 2.352 2240 I HA 0.375 4.545 4.170 0.000 0.000 0.290 2240 I C 0.595 176.794 176.117 0.138 0.000 1.036 2240 I CA 0.397 61.798 61.300 0.167 0.000 1.336 2240 I CB 1.212 39.343 38.000 0.218 0.000 1.407 2240 I HN 0.866 nan 8.210 nan 0.000 0.497 2241 S N 9.349 125.094 115.700 0.075 0.000 2.488 2241 S HA 0.442 4.912 4.470 0.000 0.000 0.310 2241 S C -2.219 172.304 174.600 -0.129 0.000 1.093 2241 S CA -1.424 56.763 58.200 -0.023 0.000 1.129 2241 S CB 0.425 63.676 63.200 0.085 0.000 0.989 2241 S HN 0.374 nan 8.310 nan 0.000 0.479 2242 P HA 0.085 nan 4.420 nan 0.000 0.270 2242 P C 0.749 177.766 177.300 -0.471 0.000 1.227 2242 P CA -0.088 62.751 63.100 -0.434 0.000 0.788 2242 P CB 0.491 31.743 31.700 -0.747 0.000 0.926 2243 S N 0.905 116.427 115.700 -0.296 0.000 2.372 2243 S HA -0.158 4.312 4.470 0.000 0.000 0.227 2243 S C 1.577 176.146 174.600 -0.051 0.000 1.044 2243 S CA 1.653 59.796 58.200 -0.095 0.000 1.050 2243 S CB -0.832 62.389 63.200 0.035 0.000 0.901 2243 S HN 0.721 nan 8.310 nan 0.000 0.447 2244 W N 1.697 123.043 121.300 0.076 0.000 3.077 2244 W HA 0.444 5.104 4.660 0.000 0.000 0.245 2244 W C 0.670 177.215 176.519 0.044 0.000 1.316 2244 W CA 0.014 57.387 57.345 0.047 0.000 1.537 2244 W CB -0.691 28.779 29.460 0.016 0.000 1.131 2244 W HN 0.211 nan 8.180 nan 0.000 0.695 2245 S N 0.947 116.524 115.700 -0.206 0.000 2.690 2245 S HA 0.573 5.043 4.470 0.000 0.000 0.291 2245 S C 0.019 174.604 174.600 -0.025 0.000 1.138 2245 S CA -0.658 57.472 58.200 -0.116 0.000 1.013 2245 S CB 1.149 64.050 63.200 -0.498 0.000 1.053 2245 S HN -0.006 nan 8.310 nan 0.000 0.539 2246 I N 2.756 123.278 120.570 -0.080 0.000 2.783 2246 I HA 0.372 4.542 4.170 0.000 0.000 0.312 2246 I C 0.135 176.093 176.117 -0.264 0.000 0.988 2246 I CA -0.448 60.678 61.300 -0.290 0.000 1.182 2246 I CB 0.923 38.809 38.000 -0.191 0.000 1.368 2246 I HN 0.786 nan 8.210 nan 0.000 0.511 2247 H N 0.815 119.784 119.070 -0.168 0.000 2.616 2247 H HA 0.458 5.014 4.556 0.000 0.000 0.229 2247 H C -0.632 174.432 175.328 -0.440 0.000 1.418 2247 H CA -0.395 55.435 56.048 -0.362 0.000 1.248 2247 H CB 0.038 29.612 29.762 -0.314 0.000 1.822 2247 H HN 0.296 nan 8.280 nan 0.000 0.522 2248 S N 0.527 116.026 115.700 -0.335 0.000 2.687 2248 S HA 0.772 5.242 4.470 0.000 0.000 0.283 2248 S C 0.757 175.179 174.600 -0.296 0.000 1.170 2248 S CA -0.330 57.776 58.200 -0.156 0.000 1.008 2248 S CB 2.006 65.238 63.200 0.053 0.000 1.026 2248 S HN 0.731 nan 8.310 nan 0.000 0.541 2249 G N 0.078 108.801 108.800 -0.128 0.000 2.746 2249 G HA2 0.574 4.534 3.960 0.000 0.000 0.297 2249 G HA3 0.574 4.534 3.960 0.000 0.000 0.297 2249 G C -1.644 173.016 174.900 -0.399 0.000 1.426 2249 G CA -0.533 44.399 45.100 -0.281 0.000 0.989 2249 G HN 0.637 nan 8.290 nan 0.000 0.520 2250 V N 0.400 119.930 119.914 -0.640 0.000 2.656 2250 V HA 0.916 5.036 4.120 0.000 0.000 0.307 2250 V C 0.669 176.464 176.094 -0.498 0.000 1.051 2250 V CA -0.426 61.340 62.300 -0.890 0.000 0.893 2250 V CB 1.517 32.546 31.823 -1.325 0.000 0.999 2250 V HN 1.100 nan 8.190 nan 0.000 0.426 2251 G N 1.276 109.892 108.800 -0.307 0.000 2.454 2251 G HA2 0.508 4.468 3.960 0.000 0.000 0.329 2251 G HA3 0.508 4.468 3.960 0.000 0.000 0.329 2251 G C 0.532 175.372 174.900 -0.099 0.000 1.177 2251 G CA -0.101 44.875 45.100 -0.207 0.000 0.951 2251 G HN 0.630 nan 8.290 nan 0.000 0.485 2252 T N 0.028 114.539 114.554 -0.071 0.000 2.951 2252 T HA 0.090 4.441 4.350 0.000 0.000 0.268 2252 T C 0.816 175.512 174.700 -0.007 0.000 1.073 2252 T CA 1.140 63.222 62.100 -0.031 0.000 1.134 2252 T CB -0.129 68.726 68.868 -0.022 0.000 0.884 2252 T HN 0.419 nan 8.240 nan 0.000 0.479 2253 K N -0.653 119.760 120.400 0.021 0.000 2.499 2253 K HA 0.689 5.009 4.320 0.000 0.000 0.277 2253 K C -1.008 175.665 176.600 0.121 0.000 1.025 2253 K CA -1.010 55.306 56.287 0.049 0.000 0.900 2253 K CB 1.674 34.195 32.500 0.036 0.000 1.494 2253 K HN 0.049 nan 8.250 nan 0.000 0.442 2254 A N 0.610 123.475 122.820 0.075 0.000 2.507 2254 A HA 0.365 4.685 4.320 0.000 0.000 0.235 2254 A C -0.834 176.821 177.584 0.118 0.000 1.070 2254 A CA 0.664 52.722 52.037 0.035 0.000 0.768 2254 A CB -0.459 18.527 19.000 -0.023 0.000 1.011 2254 A HN 0.655 nan 8.150 nan 0.000 0.502 2255 Y N -1.710 118.590 120.300 -0.000 0.000 2.689 2255 Y HA 0.724 5.274 4.550 0.000 0.000 0.333 2255 Y C -0.440 175.452 175.900 -0.013 0.000 1.208 2255 Y CA -0.470 57.620 58.100 -0.016 0.000 1.055 2255 Y CB 0.809 39.282 38.460 0.020 0.000 1.304 2255 Y HN 0.916 nan 8.280 nan 0.000 0.455 2256 T N 0.995 115.516 114.554 -0.055 0.000 2.906 2256 T HA 0.844 5.194 4.350 0.000 0.000 0.295 2256 T C -1.543 173.014 174.700 -0.239 0.000 1.075 2256 T CA -0.553 61.375 62.100 -0.286 0.000 1.005 2256 T CB 1.454 70.001 68.868 -0.535 0.000 1.136 2256 T HN 1.201 nan 8.240 nan 0.000 0.498 2257 F N 1.427 121.265 119.950 -0.186 0.000 2.668 2257 F HA 0.809 5.336 4.527 0.000 0.000 0.309 2257 F C -1.774 174.137 175.800 0.185 0.000 1.117 2257 F CA -1.590 56.406 58.000 -0.008 0.000 0.951 2257 F CB 1.027 39.985 39.000 -0.070 0.000 1.323 2257 F HN 0.407 nan 8.300 nan 0.000 0.451 2258 I N 3.053 123.829 120.570 0.343 0.000 2.437 2258 I HA 0.318 4.489 4.170 0.000 0.000 0.298 2258 I C -0.801 175.360 176.117 0.072 0.000 0.984 2258 I CA -0.894 60.417 61.300 0.018 0.000 1.214 2258 I CB 1.359 39.298 38.000 -0.102 0.000 1.365 2258 I HN 0.880 nan 8.210 nan 0.000 0.469 2259 W N 4.043 125.317 121.300 -0.044 0.000 2.844 2259 W HA 0.826 5.486 4.660 0.000 0.000 0.340 2259 W C -0.676 175.738 176.519 -0.176 0.000 1.093 2259 W CA -1.412 55.801 57.345 -0.219 0.000 1.212 2259 W CB 1.534 30.862 29.460 -0.221 0.000 1.422 2259 W HN 0.604 nan 8.180 nan 0.000 0.515 2260 G N 2.377 111.204 108.800 0.046 0.000 2.667 2260 G HA2 0.804 4.765 3.960 0.000 0.000 0.298 2260 G HA3 0.804 4.765 3.960 0.000 0.000 0.298 2260 G C -1.319 173.646 174.900 0.108 0.000 1.377 2260 G CA -1.249 43.879 45.100 0.048 0.000 0.964 2260 G HN 0.689 nan 8.290 nan 0.000 0.493 2261 M N -0.062 119.622 119.600 0.140 0.000 2.682 2261 M HA 0.813 5.293 4.480 0.000 0.000 0.272 2261 M C -1.086 175.268 176.300 0.090 0.000 1.232 2261 M CA -1.125 54.242 55.300 0.112 0.000 0.849 2261 M CB 2.102 34.801 32.600 0.166 0.000 1.695 2261 M HN 1.116 nan 8.290 nan 0.000 0.481 2262 V N -2.195 117.756 119.914 0.062 0.000 3.206 2262 V HA 1.083 5.203 4.120 0.000 0.000 0.305 2262 V C -0.341 175.783 176.094 0.049 0.000 1.257 2262 V CA 0.510 62.837 62.300 0.045 0.000 1.057 2262 V CB 1.255 33.086 31.823 0.013 0.000 1.075 2262 V HN 1.535 nan 8.190 nan 0.000 0.443 2263 G N 0.558 109.384 108.800 0.043 0.000 2.294 2263 G HA2 0.170 4.130 3.960 0.000 0.000 0.061 2263 G HA3 0.170 4.130 3.960 0.000 0.000 0.061 2263 G C -0.034 174.895 174.900 0.047 0.000 0.835 2263 G CA 0.485 45.614 45.100 0.049 0.000 1.182 2263 G HN 0.705 nan 8.290 nan 0.000 0.449 2264 E N 0.895 121.126 120.200 0.052 0.000 2.372 2264 E HA 0.106 4.456 4.350 0.000 0.000 0.201 2264 E C 0.900 177.527 176.600 0.046 0.000 0.938 2264 E CA 1.037 57.466 56.400 0.048 0.000 0.944 2264 E CB 0.601 30.330 29.700 0.049 0.000 0.937 2264 E HN 0.582 nan 8.360 nan 0.000 0.495 2265 N N -0.659 118.072 118.700 0.051 0.000 2.127 2265 N HA -0.047 4.693 4.740 0.000 0.000 0.229 2265 N C -0.274 175.270 175.510 0.057 0.000 1.374 2265 N CA 0.066 53.145 53.050 0.048 0.000 0.763 2265 N CB -0.024 38.489 38.487 0.044 0.000 1.269 2265 N HN -0.140 nan 8.380 nan 0.000 0.516 2266 Q N -0.090 119.752 119.800 0.071 0.000 2.436 2266 Q HA -0.143 4.197 4.340 0.000 0.000 0.264 2266 Q C -1.022 175.049 176.000 0.117 0.000 1.093 2266 Q CA 0.907 56.765 55.803 0.091 0.000 0.994 2266 Q CB -1.427 27.344 28.738 0.055 0.000 1.434 2266 Q HN 0.293 nan 8.270 nan 0.000 0.520 2267 V N 1.728 121.710 119.914 0.113 0.000 2.318 2267 V HA 0.328 4.448 4.120 0.000 0.000 0.271 2267 V C -0.033 176.149 176.094 0.147 0.000 1.030 2267 V CA -0.380 61.988 62.300 0.113 0.000 0.844 2267 V CB 0.373 32.233 31.823 0.062 0.000 1.015 2267 V HN 0.220 nan 8.190 nan 0.000 0.460 2268 F N 0.000 119.954 119.950 0.007 0.000 2.286 2268 F HA 0.000 4.527 4.527 0.000 0.000 0.279 2268 F CA 0.000 57.963 58.000 -0.061 0.000 1.383 2268 F CB 0.000 38.937 39.000 -0.104 0.000 1.145 2268 F HN 0.000 nan 8.300 nan 0.000 0.574