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 1jcx_1_B DATA FIRST_RESID 2003 DATA SEQUENCE KFLVIAGPCA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCRQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATHSVQLPXX XXXXXXGMRE 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 0.000 176.700 176.600 0.167 0.000 0.988 2003 K CA 0.000 56.370 56.287 0.138 0.000 0.838 2003 K CB 0.000 32.575 32.500 0.126 0.000 1.064 2004 F N 1.424 121.388 119.950 0.023 0.000 2.518 2004 F HA 0.281 4.808 4.527 0.001 0.000 0.359 2004 F C -0.249 175.514 175.800 -0.061 0.000 1.118 2004 F CA -0.463 57.534 58.000 -0.005 0.000 1.287 2004 F CB 0.659 39.647 39.000 -0.021 0.000 1.132 2004 F HN 0.419 nan 8.300 nan 0.000 0.587 2005 L N 6.223 127.046 121.223 -0.667 0.000 2.309 2005 L HA 0.552 4.892 4.340 0.001 0.000 0.282 2005 L C -1.206 175.268 176.870 -0.660 0.000 1.036 2005 L CA -0.477 54.051 54.840 -0.519 0.000 0.806 2005 L CB 1.605 43.441 42.059 -0.371 0.000 1.220 2005 L HN 0.369 nan 8.230 nan 0.000 0.429 2006 V N 6.699 126.308 119.914 -0.510 0.000 2.380 2006 V HA 0.415 4.535 4.120 0.001 0.000 0.286 2006 V C -0.162 175.738 176.094 -0.323 0.000 1.015 2006 V CA -0.405 61.618 62.300 -0.462 0.000 0.834 2006 V CB 1.365 32.773 31.823 -0.691 0.000 1.009 2006 V HN 0.542 nan 8.190 nan 0.000 0.428 2007 I N 4.634 125.042 120.570 -0.271 0.000 2.312 2007 I HA 0.798 4.969 4.170 0.001 0.000 0.290 2007 I C 0.375 176.236 176.117 -0.427 0.000 1.008 2007 I CA -0.047 61.085 61.300 -0.279 0.000 1.226 2007 I CB 1.402 39.275 38.000 -0.213 0.000 1.371 2007 I HN 0.672 nan 8.210 nan 0.000 0.468 2008 A N 4.620 127.220 122.820 -0.366 0.000 2.594 2008 A HA 1.013 5.333 4.320 0.001 0.000 0.291 2008 A C -0.416 176.859 177.584 -0.515 0.000 1.105 2008 A CA -0.283 51.504 52.037 -0.417 0.000 0.694 2008 A CB 2.018 20.894 19.000 -0.207 0.000 1.291 2008 A HN 0.918 nan 8.150 nan 0.000 0.410 2009 G N -0.319 108.178 108.800 -0.505 0.000 2.336 2009 G HA2 0.504 4.464 3.960 0.001 0.000 0.300 2009 G HA3 0.504 4.464 3.960 0.001 0.000 0.300 2009 G C -3.574 171.118 174.900 -0.348 0.000 1.375 2009 G CA -0.240 44.480 45.100 -0.634 0.000 0.885 2009 G HN 0.724 nan 8.290 nan 0.000 0.599 2010 P HA 0.224 nan 4.420 nan 0.000 0.275 2010 P C 1.365 178.670 177.300 0.008 0.000 1.227 2010 P CA 0.022 63.105 63.100 -0.027 0.000 0.781 2010 P CB 1.620 33.341 31.700 0.034 0.000 0.906 2011 C N 3.277 122.623 119.300 0.078 0.000 2.367 2011 C HA -0.043 4.417 4.460 0.001 0.000 0.276 2011 C C 1.284 176.363 174.990 0.148 0.000 1.195 2011 C CA 1.788 60.876 59.018 0.117 0.000 1.756 2011 C CB -1.383 26.438 27.740 0.136 0.000 2.046 2011 C HN 0.704 nan 8.230 nan 0.000 0.453 2012 A N -0.609 122.338 122.820 0.212 0.000 2.356 2012 A HA 0.704 5.024 4.320 0.001 0.000 0.323 2012 A C -0.360 177.421 177.584 0.327 0.000 1.119 2012 A CA -0.605 51.606 52.037 0.291 0.000 0.790 2012 A CB 0.467 19.756 19.000 0.481 0.000 1.273 2012 A HN 0.460 nan 8.150 nan 0.000 0.452 2013 I N 2.310 123.098 120.570 0.363 0.000 2.352 2013 I HA 0.010 4.180 4.170 0.001 0.000 0.303 2013 I C 0.898 177.311 176.117 0.494 0.000 1.194 2013 I CA 0.326 61.862 61.300 0.393 0.000 1.518 2013 I CB -0.160 38.091 38.000 0.418 0.000 1.489 2013 I HN 0.856 nan 8.210 nan 0.000 0.702 2014 E N 3.023 123.455 120.200 0.387 0.000 2.268 2014 E HA -0.079 4.271 4.350 0.001 0.000 0.195 2014 E C 0.218 176.980 176.600 0.270 0.000 0.995 2014 E CA 0.551 57.154 56.400 0.339 0.000 0.836 2014 E CB 0.186 29.978 29.700 0.152 0.000 0.763 2014 E HN 0.762 nan 8.360 nan 0.000 0.491 2015 S N -1.281 114.573 115.700 0.256 0.000 2.751 2015 S HA -0.025 4.446 4.470 0.001 0.000 0.289 2015 S C 0.233 174.962 174.600 0.214 0.000 0.965 2015 S CA -0.696 57.644 58.200 0.233 0.000 0.855 2015 S CB 0.528 63.797 63.200 0.115 0.000 1.068 2015 S HN 0.238 nan 8.310 nan 0.000 0.462 2016 E N 0.916 121.210 120.200 0.157 0.000 2.333 2016 E HA -0.185 4.165 4.350 0.001 0.000 0.198 2016 E C 1.347 177.974 176.600 0.046 0.000 1.007 2016 E CA 1.194 57.612 56.400 0.030 0.000 0.845 2016 E CB -0.154 29.478 29.700 -0.115 0.000 0.766 2016 E HN 0.782 nan 8.360 nan 0.000 0.507 2017 E N 0.849 121.089 120.200 0.065 0.000 2.051 2017 E HA -0.216 4.134 4.350 0.001 0.000 0.192 2017 E C 2.099 178.727 176.600 0.047 0.000 0.991 2017 E CA 1.102 57.531 56.400 0.049 0.000 0.799 2017 E CB -0.067 29.663 29.700 0.050 0.000 0.748 2017 E HN 0.361 nan 8.360 nan 0.000 0.449 2018 L N 0.964 122.222 121.223 0.058 0.000 2.083 2018 L HA -0.135 4.206 4.340 0.001 0.000 0.209 2018 L C 2.106 179.007 176.870 0.052 0.000 1.083 2018 L CA 1.485 56.339 54.840 0.023 0.000 0.752 2018 L CB -0.342 41.731 42.059 0.024 0.000 0.899 2018 L HN 0.231 nan 8.230 nan 0.000 0.433 2019 L N -1.195 120.098 121.223 0.116 0.000 2.046 2019 L HA -0.234 4.106 4.340 0.001 0.000 0.208 2019 L C 2.569 179.470 176.870 0.051 0.000 1.077 2019 L CA 1.348 56.299 54.840 0.185 0.000 0.747 2019 L CB -0.724 41.435 42.059 0.166 0.000 0.896 2019 L HN 0.331 nan 8.230 nan 0.000 0.432 2020 L N -0.046 121.208 121.223 0.051 0.000 2.046 2020 L HA -0.234 4.106 4.340 0.001 0.000 0.208 2020 L C 2.736 179.652 176.870 0.077 0.000 1.077 2020 L CA 1.385 56.303 54.840 0.130 0.000 0.747 2020 L CB -0.517 41.613 42.059 0.118 0.000 0.896 2020 L HN 0.282 nan 8.230 nan 0.000 0.432 2021 K N 0.198 120.616 120.400 0.030 0.000 2.026 2021 K HA -0.147 4.173 4.320 0.001 0.000 0.208 2021 K C 2.007 178.571 176.600 -0.060 0.000 1.048 2021 K CA 1.406 57.686 56.287 -0.011 0.000 0.929 2021 K CB 0.038 32.527 32.500 -0.019 0.000 0.713 2021 K HN 0.061 nan 8.250 nan 0.000 0.439 2022 V N 0.697 120.600 119.914 -0.019 0.000 2.358 2022 V HA -0.155 3.966 4.120 0.001 0.000 0.246 2022 V C 2.409 178.497 176.094 -0.009 0.000 1.047 2022 V CA 2.081 64.394 62.300 0.021 0.000 1.035 2022 V CB -0.882 31.018 31.823 0.127 0.000 0.658 2022 V HN 0.612 nan 8.190 nan 0.000 0.452 2023 G N -0.631 108.097 108.800 -0.119 0.000 2.450 2023 G HA2 -0.297 3.664 3.960 0.001 0.000 0.220 2023 G HA3 -0.297 3.664 3.960 0.001 0.000 0.220 2023 G C 1.517 175.744 174.900 -1.122 0.000 1.130 2023 G CA 0.976 45.734 45.100 -0.571 0.000 0.760 2023 G HN 0.600 nan 8.290 nan 0.000 0.557 2024 E N 0.147 119.789 120.200 -0.931 0.000 2.072 2024 E HA -0.160 4.190 4.350 0.001 0.000 0.191 2024 E C 2.277 178.634 176.600 -0.405 0.000 0.985 2024 E CA 1.337 57.293 56.400 -0.740 0.000 0.801 2024 E CB -0.098 29.479 29.700 -0.206 0.000 0.750 2024 E HN 0.402 nan 8.360 nan 0.000 0.452 2025 E N 0.876 120.919 120.200 -0.262 0.000 2.047 2025 E HA -0.129 4.222 4.350 0.001 0.000 0.191 2025 E C 1.959 178.443 176.600 -0.194 0.000 0.987 2025 E CA 1.263 57.564 56.400 -0.164 0.000 0.799 2025 E CB -0.301 29.342 29.700 -0.095 0.000 0.752 2025 E HN 0.396 nan 8.360 nan 0.000 0.449 2026 I N 0.367 120.816 120.570 -0.202 0.000 2.361 2026 I HA -0.239 3.932 4.170 0.001 0.000 0.251 2026 I C 2.209 178.102 176.117 -0.374 0.000 1.133 2026 I CA 1.118 62.288 61.300 -0.216 0.000 1.413 2026 I CB -0.256 37.733 38.000 -0.017 0.000 1.073 2026 I HN 0.089 nan 8.210 nan 0.000 0.424 2027 K N 1.532 121.707 120.400 -0.375 0.000 2.057 2027 K HA -0.179 4.142 4.320 0.001 0.000 0.206 2027 K C 2.184 178.638 176.600 -0.243 0.000 1.050 2027 K CA 1.434 57.541 56.287 -0.301 0.000 0.935 2027 K CB -0.289 32.026 32.500 -0.307 0.000 0.715 2027 K HN 0.088 nan 8.250 nan 0.000 0.439 2028 R N -0.269 120.099 120.500 -0.220 0.000 2.081 2028 R HA -0.069 4.271 4.340 0.001 0.000 0.235 2028 R C 1.768 177.964 176.300 -0.173 0.000 1.131 2028 R CA 1.251 57.259 56.100 -0.153 0.000 0.960 2028 R CB -0.176 30.056 30.300 -0.112 0.000 0.856 2028 R HN 0.143 nan 8.270 nan 0.000 0.436 2029 L N 0.887 121.973 121.223 -0.230 0.000 2.093 2029 L HA -0.113 4.228 4.340 0.001 0.000 0.208 2029 L C 2.562 179.230 176.870 -0.337 0.000 1.085 2029 L CA 2.057 56.807 54.840 -0.149 0.000 0.755 2029 L CB -1.451 40.531 42.059 -0.128 0.000 0.904 2029 L HN 0.338 nan 8.230 nan 0.000 0.435 2030 S N -1.099 114.114 115.700 -0.811 0.000 2.419 2030 S HA -0.149 4.321 4.470 0.001 0.000 0.233 2030 S C 1.666 176.214 174.600 -0.086 0.000 1.016 2030 S CA 0.864 58.739 58.200 -0.542 0.000 0.974 2030 S CB -0.204 62.759 63.200 -0.395 0.000 0.786 2030 S HN 0.398 nan 8.310 nan 0.000 0.492 2031 E N 1.499 121.626 120.200 -0.121 0.000 2.158 2031 E HA 0.052 4.403 4.350 0.001 0.000 0.191 2031 E C 1.944 178.493 176.600 -0.084 0.000 0.982 2031 E CA 0.786 57.148 56.400 -0.065 0.000 0.823 2031 E CB -0.229 29.429 29.700 -0.071 0.000 0.766 2031 E HN 0.730 nan 8.360 nan 0.000 0.468 2032 K N -0.253 120.052 120.400 -0.158 0.000 2.116 2032 K HA -0.007 4.313 4.320 0.001 0.000 0.203 2032 K C 0.025 176.354 176.600 -0.451 0.000 1.052 2032 K CA 0.530 56.600 56.287 -0.361 0.000 0.952 2032 K CB 0.162 32.325 32.500 -0.560 0.000 0.729 2032 K HN -0.080 nan 8.250 nan 0.000 0.446 2033 F N 1.699 121.720 119.950 0.117 0.000 2.319 2033 F HA 0.302 4.830 4.527 0.001 0.000 0.356 2033 F C 0.635 176.570 175.800 0.225 0.000 1.100 2033 F CA -0.852 57.268 58.000 0.200 0.000 1.220 2033 F CB 1.348 40.545 39.000 0.328 0.000 1.506 2033 F HN -0.229 nan 8.300 nan 0.000 0.512 2034 K N 1.027 121.568 120.400 0.235 0.000 2.283 2034 K HA -0.120 4.200 4.320 0.001 0.000 0.202 2034 K C 1.101 177.821 176.600 0.200 0.000 1.048 2034 K CA 0.847 57.248 56.287 0.190 0.000 0.948 2034 K CB 0.003 32.566 32.500 0.105 0.000 0.742 2034 K HN 0.545 nan 8.250 nan 0.000 0.458 2035 E N -0.003 120.326 120.200 0.215 0.000 2.476 2035 E HA 0.060 4.410 4.350 0.001 0.000 0.191 2035 E C 0.056 176.771 176.600 0.192 0.000 1.064 2035 E CA -0.117 56.388 56.400 0.177 0.000 0.866 2035 E CB 0.001 29.790 29.700 0.147 0.000 0.952 2035 E HN -0.197 nan 8.360 nan 0.000 0.492 2036 V N 1.102 121.158 119.914 0.237 0.000 2.540 2036 V HA 0.229 4.350 4.120 0.001 0.000 0.302 2036 V C -0.343 175.826 176.094 0.126 0.000 1.035 2036 V CA -1.022 61.357 62.300 0.132 0.000 0.873 2036 V CB 1.999 33.816 31.823 -0.010 0.000 0.992 2036 V HN 0.159 nan 8.190 nan 0.000 0.428 2037 E N 3.696 123.901 120.200 0.007 0.000 2.081 2037 E HA 0.393 4.744 4.350 0.001 0.000 0.281 2037 E C -1.458 175.108 176.600 -0.056 0.000 0.986 2037 E CA -0.446 55.989 56.400 0.058 0.000 0.796 2037 E CB 0.600 30.322 29.700 0.037 0.000 1.085 2037 E HN 0.490 nan 8.360 nan 0.000 0.398 2038 F N 3.034 123.006 119.950 0.035 0.000 2.385 2038 F HA 0.308 4.835 4.527 0.001 0.000 0.336 2038 F C 0.055 175.861 175.800 0.010 0.000 1.100 2038 F CA -0.562 57.446 58.000 0.013 0.000 1.116 2038 F CB 1.469 40.492 39.000 0.038 0.000 1.166 2038 F HN 0.128 nan 8.300 nan 0.000 0.511 2039 V N 4.385 124.375 119.914 0.126 0.000 2.483 2039 V HA 0.244 4.364 4.120 0.001 0.000 0.297 2039 V C -0.778 175.368 176.094 0.088 0.000 1.027 2039 V CA -1.040 61.310 62.300 0.083 0.000 0.855 2039 V CB 1.638 33.442 31.823 -0.031 0.000 0.995 2039 V HN 0.540 nan 8.190 nan 0.000 0.424 2040 F N 5.785 125.744 119.950 0.015 0.000 2.438 2040 F HA 0.549 5.076 4.527 0.001 0.000 0.356 2040 F C 0.234 176.023 175.800 -0.019 0.000 1.099 2040 F CA 0.215 58.212 58.000 -0.007 0.000 1.185 2040 F CB 0.547 39.553 39.000 0.011 0.000 1.115 2040 F HN 0.384 nan 8.300 nan 0.000 0.526 2041 K N 4.641 124.651 120.400 -0.651 0.000 2.316 2041 K HA 0.610 4.931 4.320 0.001 0.000 0.251 2041 K C -1.675 174.667 176.600 -0.430 0.000 0.934 2041 K CA -0.461 55.599 56.287 -0.378 0.000 0.802 2041 K CB 1.866 34.176 32.500 -0.317 0.000 1.171 2041 K HN 0.685 nan 8.250 nan 0.000 0.426 2042 S N 1.211 116.853 115.700 -0.095 0.000 2.560 2042 S HA 0.320 4.790 4.470 0.001 0.000 0.283 2042 S C -1.709 172.959 174.600 0.113 0.000 1.141 2042 S CA -0.520 57.690 58.200 0.017 0.000 0.902 2042 S CB 1.052 64.324 63.200 0.120 0.000 1.104 2042 S HN 0.505 nan 8.310 nan 0.000 0.454 2043 S N 3.235 118.993 115.700 0.097 0.000 2.499 2043 S HA 0.376 4.846 4.470 0.001 0.000 0.279 2043 S C 0.755 175.407 174.600 0.088 0.000 1.219 2043 S CA -0.574 57.639 58.200 0.021 0.000 1.062 2043 S CB 0.270 63.454 63.200 -0.027 0.000 0.978 2043 S HN 0.675 nan 8.310 nan 0.000 0.489 2044 F N 0.526 120.574 119.950 0.163 0.000 2.780 2044 F HA 0.463 4.990 4.527 0.001 0.000 0.299 2044 F C 0.371 176.232 175.800 0.101 0.000 1.146 2044 F CA -0.422 57.679 58.000 0.168 0.000 1.428 2044 F CB -0.015 39.081 39.000 0.160 0.000 1.115 2044 F HN 0.444 nan 8.300 nan 0.000 0.583 2045 D N 0.229 120.433 120.400 -0.326 0.000 2.878 2045 D HA 0.213 4.854 4.640 0.001 0.000 0.211 2045 D C -1.513 174.561 176.300 -0.376 0.000 1.271 2045 D CA -0.596 53.222 54.000 -0.302 0.000 0.845 2045 D CB 1.233 41.882 40.800 -0.253 0.000 1.679 2045 D HN -0.175 nan 8.370 nan 0.000 0.536 2046 K N 2.977 123.200 120.400 -0.296 0.000 2.231 2046 K HA 0.528 4.848 4.320 0.001 0.000 0.255 2046 K C 0.442 176.887 176.600 -0.258 0.000 1.108 2046 K CA -0.337 55.825 56.287 -0.209 0.000 0.997 2046 K CB 0.888 33.321 32.500 -0.111 0.000 1.549 2046 K HN 0.459 nan 8.250 nan 0.000 0.419 2047 A N 2.625 125.200 122.820 -0.408 0.000 2.206 2047 A HA -0.093 4.228 4.320 0.001 0.000 0.211 2047 A C 0.958 178.470 177.584 -0.121 0.000 1.158 2047 A CA 0.680 52.504 52.037 -0.356 0.000 0.761 2047 A CB -0.564 18.030 19.000 -0.676 0.000 0.801 2047 A HN 0.804 nan 8.150 nan 0.000 0.473 2048 N N -1.271 117.405 118.700 -0.040 0.000 2.433 2048 N HA 0.133 4.874 4.740 0.001 0.000 0.270 2048 N C -0.371 175.189 175.510 0.084 0.000 1.354 2048 N CA -0.749 52.348 53.050 0.078 0.000 0.889 2048 N CB 0.519 39.139 38.487 0.223 0.000 1.285 2048 N HN -0.054 nan 8.380 nan 0.000 0.503 2049 R N 0.598 121.112 120.500 0.023 0.000 2.734 2049 R HA 0.097 4.438 4.340 0.001 0.000 0.266 2049 R C 0.940 177.265 176.300 0.042 0.000 1.044 2049 R CA 0.043 56.164 56.100 0.036 0.000 1.128 2049 R CB 0.605 30.911 30.300 0.010 0.000 1.010 2049 R HN 0.204 nan 8.270 nan 0.000 0.461 2050 S N 0.427 116.159 115.700 0.053 0.000 2.368 2050 S HA -0.094 4.376 4.470 0.001 0.000 0.224 2050 S C 1.048 175.653 174.600 0.008 0.000 1.029 2050 S CA 0.977 59.201 58.200 0.039 0.000 0.988 2050 S CB 0.037 63.266 63.200 0.048 0.000 0.838 2050 S HN 0.637 nan 8.310 nan 0.000 0.462 2051 S N 0.198 115.903 115.700 0.009 0.000 2.541 2051 S HA 0.367 4.838 4.470 0.001 0.000 0.283 2051 S C 0.728 175.291 174.600 -0.062 0.000 1.196 2051 S CA -0.691 57.499 58.200 -0.017 0.000 1.062 2051 S CB 0.911 64.130 63.200 0.031 0.000 1.009 2051 S HN 0.177 nan 8.310 nan 0.000 0.502 2052 I N 4.230 124.699 120.570 -0.168 0.000 2.614 2052 I HA 0.000 4.170 4.170 0.001 0.000 0.258 2052 I C 1.245 177.232 176.117 -0.216 0.000 1.189 2052 I CA 1.718 62.882 61.300 -0.226 0.000 1.462 2052 I CB -0.356 37.446 38.000 -0.330 0.000 1.092 2052 I HN 0.845 nan 8.210 nan 0.000 0.442 2053 H N -1.091 117.983 119.070 0.008 0.000 2.526 2053 H HA 0.310 4.867 4.556 0.001 0.000 0.274 2053 H C 0.881 176.226 175.328 0.029 0.000 0.999 2053 H CA -0.217 55.839 56.048 0.014 0.000 1.157 2053 H CB 0.103 29.874 29.762 0.014 0.000 1.407 2053 H HN 0.165 nan 8.280 nan 0.000 0.568 2054 S N 0.481 116.245 115.700 0.106 0.000 2.652 2054 S HA 0.106 4.576 4.470 0.001 0.000 0.270 2054 S C -0.298 174.370 174.600 0.113 0.000 1.243 2054 S CA -0.825 57.442 58.200 0.112 0.000 0.999 2054 S CB 0.738 63.990 63.200 0.086 0.000 0.973 2054 S HN 0.278 nan 8.310 nan 0.000 0.544 2055 F N 2.084 122.038 119.950 0.007 0.000 2.578 2055 F HA 0.177 4.705 4.527 0.001 0.000 0.381 2055 F C 1.234 177.022 175.800 -0.019 0.000 1.069 2055 F CA 0.286 58.278 58.000 -0.012 0.000 1.231 2055 F CB 0.358 39.354 39.000 -0.006 0.000 1.086 2055 F HN 0.554 nan 8.300 nan 0.000 0.564 2056 R N 3.338 123.358 120.500 -0.800 0.000 2.164 2056 R HA 0.450 4.791 4.340 0.001 0.000 0.198 2056 R C 0.646 176.349 176.300 -0.996 0.000 1.028 2056 R CA 0.227 55.916 56.100 -0.685 0.000 1.083 2056 R CB 0.275 30.361 30.300 -0.356 0.000 1.026 2056 R HN 0.930 nan 8.270 nan 0.000 0.514 2057 G N -0.666 107.362 108.800 -1.287 0.000 2.340 2057 G HA2 -0.112 3.849 3.960 0.001 0.000 0.282 2057 G HA3 -0.112 3.849 3.960 0.001 0.000 0.282 2057 G C -1.012 173.653 174.900 -0.393 0.000 1.312 2057 G CA -0.794 43.860 45.100 -0.742 0.000 0.942 2057 G HN 0.286 nan 8.290 nan 0.000 0.495 2058 H N 0.312 119.381 119.070 -0.001 0.000 2.549 2058 H HA 0.511 5.068 4.556 0.001 0.000 0.279 2058 H C 1.207 176.580 175.328 0.076 0.000 1.018 2058 H CA 1.307 57.328 56.048 -0.045 0.000 1.175 2058 H CB 0.668 30.206 29.762 -0.374 0.000 1.485 2058 H HN 1.811 nan 8.280 nan 0.000 0.543 2059 G N -0.019 108.920 108.800 0.230 0.000 2.619 2059 G HA2 -0.214 3.746 3.960 0.001 0.000 0.686 2059 G HA3 -0.214 3.746 3.960 0.001 0.000 0.686 2059 G C 0.170 175.243 174.900 0.288 0.000 1.256 2059 G CA -0.290 44.962 45.100 0.252 0.000 0.826 2059 G HN 0.182 nan 8.290 nan 0.000 0.619 2060 L N 0.388 121.692 121.223 0.135 0.000 2.046 2060 L HA 0.124 4.465 4.340 0.001 0.000 0.208 2060 L C 2.535 179.310 176.870 -0.159 0.000 1.077 2060 L CA 3.057 57.702 54.840 -0.325 0.000 0.747 2060 L CB -0.846 40.977 42.059 -0.393 0.000 0.896 2060 L HN 0.808 nan 8.230 nan 0.000 0.432 2061 E N -1.485 118.724 120.200 0.016 0.000 2.031 2061 E HA -0.308 4.042 4.350 0.001 0.000 0.193 2061 E C 2.147 178.795 176.600 0.081 0.000 0.994 2061 E CA 1.838 58.263 56.400 0.042 0.000 0.800 2061 E CB -0.489 29.260 29.700 0.082 0.000 0.752 2061 E HN 0.604 nan 8.360 nan 0.000 0.447 2062 Y N 1.103 121.435 120.300 0.054 0.000 2.207 2062 Y HA -0.185 4.365 4.550 0.001 0.000 0.287 2062 Y C 2.194 178.143 175.900 0.081 0.000 1.156 2062 Y CA 1.749 59.892 58.100 0.072 0.000 1.182 2062 Y CB -0.448 38.086 38.460 0.123 0.000 0.979 2062 Y HN 0.015 nan 8.280 nan 0.000 0.521 2063 G N -0.735 108.215 108.800 0.250 0.000 2.404 2063 G HA2 -0.218 3.742 3.960 0.001 0.000 0.215 2063 G HA3 -0.218 3.742 3.960 0.001 0.000 0.215 2063 G C 1.664 176.604 174.900 0.067 0.000 1.174 2063 G CA 1.211 46.448 45.100 0.228 0.000 0.780 2063 G HN 0.331 nan 8.290 nan 0.000 0.537 2064 V N 1.003 120.900 119.914 -0.028 0.000 2.407 2064 V HA -0.169 3.951 4.120 0.001 0.000 0.248 2064 V C 2.666 178.728 176.094 -0.053 0.000 1.055 2064 V CA 2.243 64.515 62.300 -0.047 0.000 1.049 2064 V CB -0.383 31.385 31.823 -0.093 0.000 0.662 2064 V HN 0.459 nan 8.190 nan 0.000 0.455 2065 K N 0.426 120.770 120.400 -0.094 0.000 2.026 2065 K HA -0.188 4.133 4.320 0.001 0.000 0.208 2065 K C 2.222 178.723 176.600 -0.164 0.000 1.048 2065 K CA 1.653 57.859 56.287 -0.136 0.000 0.929 2065 K CB -0.351 32.035 32.500 -0.190 0.000 0.713 2065 K HN 0.408 nan 8.250 nan 0.000 0.439 2066 A N 1.452 124.140 122.820 -0.221 0.000 1.877 2066 A HA -0.126 4.195 4.320 0.001 0.000 0.216 2066 A C 2.154 179.697 177.584 -0.069 0.000 1.186 2066 A CA 1.401 53.333 52.037 -0.175 0.000 0.620 2066 A CB -0.703 18.201 19.000 -0.160 0.000 0.822 2066 A HN 0.348 nan 8.150 nan 0.000 0.443 2067 L N -1.137 120.085 121.223 -0.000 0.000 2.131 2067 L HA -0.185 4.156 4.340 0.001 0.000 0.210 2067 L C 2.875 179.733 176.870 -0.019 0.000 1.092 2067 L CA 0.943 55.805 54.840 0.036 0.000 0.759 2067 L CB -0.502 41.624 42.059 0.112 0.000 0.903 2067 L HN 0.318 nan 8.230 nan 0.000 0.435 2068 R N 0.433 120.910 120.500 -0.039 0.000 2.073 2068 R HA -0.181 4.159 4.340 0.001 0.000 0.234 2068 R C 2.266 178.520 176.300 -0.077 0.000 1.134 2068 R CA 1.278 57.348 56.100 -0.050 0.000 0.952 2068 R CB -0.344 29.922 30.300 -0.056 0.000 0.850 2068 R HN 0.126 nan 8.270 nan 0.000 0.433 2069 K N 0.609 120.950 120.400 -0.099 0.000 2.147 2069 K HA -0.074 4.247 4.320 0.001 0.000 0.205 2069 K C 1.905 178.416 176.600 -0.147 0.000 1.049 2069 K CA 1.096 57.308 56.287 -0.126 0.000 0.936 2069 K CB -0.293 32.132 32.500 -0.126 0.000 0.722 2069 K HN -0.036 nan 8.250 nan 0.000 0.446 2070 V N 0.872 120.710 119.914 -0.126 0.000 2.323 2070 V HA -0.182 3.939 4.120 0.001 0.000 0.244 2070 V C 2.426 178.493 176.094 -0.046 0.000 1.041 2070 V CA 2.060 64.295 62.300 -0.109 0.000 1.025 2070 V CB -0.485 31.092 31.823 -0.410 0.000 0.656 2070 V HN 0.423 nan 8.190 nan 0.000 0.451 2071 K N 0.166 120.532 120.400 -0.057 0.000 2.097 2071 K HA -0.206 4.114 4.320 0.001 0.000 0.206 2071 K C 2.044 178.619 176.600 -0.041 0.000 1.049 2071 K CA 1.799 58.077 56.287 -0.015 0.000 0.933 2071 K CB -0.067 32.433 32.500 0.000 0.000 0.717 2071 K HN 0.591 nan 8.250 nan 0.000 0.442 2072 E N 0.234 120.383 120.200 -0.086 0.000 2.072 2072 E HA -0.172 4.178 4.350 0.001 0.000 0.190 2072 E C 1.866 178.357 176.600 -0.183 0.000 0.982 2072 E CA 0.973 57.308 56.400 -0.108 0.000 0.803 2072 E CB 0.070 29.706 29.700 -0.107 0.000 0.755 2072 E HN 0.398 nan 8.360 nan 0.000 0.453 2073 E N -0.607 119.406 120.200 -0.312 0.000 2.285 2073 E HA -0.087 4.263 4.350 0.001 0.000 0.194 2073 E C 0.612 176.741 176.600 -0.785 0.000 0.997 2073 E CA 0.618 56.662 56.400 -0.593 0.000 0.845 2073 E CB 0.287 29.483 29.700 -0.839 0.000 0.782 2073 E HN 0.165 nan 8.360 nan 0.000 0.491 2074 F N -1.566 118.327 119.950 -0.096 0.000 2.817 2074 F HA 0.343 4.870 4.527 0.001 0.000 0.333 2074 F C 1.249 177.013 175.800 -0.060 0.000 1.085 2074 F CA 0.298 58.246 58.000 -0.087 0.000 1.170 2074 F CB 1.151 40.078 39.000 -0.121 0.000 1.066 2074 F HN 0.033 nan 8.300 nan 0.000 0.564 2075 G N 1.874 110.721 108.800 0.079 0.000 2.198 2075 G HA2 -0.305 3.656 3.960 0.001 0.000 0.260 2075 G HA3 -0.305 3.656 3.960 0.001 0.000 0.260 2075 G C 0.024 174.973 174.900 0.082 0.000 1.025 2075 G CA 0.085 45.220 45.100 0.058 0.000 0.769 2075 G HN 0.291 nan 8.290 nan 0.000 0.507 2076 L N -0.226 121.058 121.223 0.102 0.000 2.334 2076 L HA 0.420 4.761 4.340 0.001 0.000 0.277 2076 L C 1.178 178.114 176.870 0.110 0.000 1.075 2076 L CA -0.844 54.063 54.840 0.111 0.000 0.804 2076 L CB 0.982 43.109 42.059 0.114 0.000 1.174 2076 L HN 0.035 nan 8.230 nan 0.000 0.438 2077 K N 2.422 122.896 120.400 0.122 0.000 2.276 2077 K HA 0.359 4.679 4.320 0.001 0.000 0.259 2077 K C -0.624 176.060 176.600 0.139 0.000 1.001 2077 K CA -0.295 56.057 56.287 0.108 0.000 0.927 2077 K CB 0.789 33.344 32.500 0.092 0.000 0.969 2077 K HN 0.298 nan 8.250 nan 0.000 0.490 2078 I N 0.743 121.384 120.570 0.119 0.000 2.740 2078 I HA 0.295 4.465 4.170 0.001 0.000 0.303 2078 I C 0.066 176.247 176.117 0.106 0.000 1.044 2078 I CA -0.401 60.991 61.300 0.153 0.000 1.064 2078 I CB 1.880 39.966 38.000 0.144 0.000 1.249 2078 I HN 0.573 nan 8.210 nan 0.000 0.433 2079 T N 2.685 117.305 114.554 0.110 0.000 2.956 2079 T HA 0.630 4.980 4.350 0.001 0.000 0.312 2079 T C -1.059 173.691 174.700 0.083 0.000 1.151 2079 T CA -0.212 61.928 62.100 0.066 0.000 1.024 2079 T CB 1.620 70.498 68.868 0.016 0.000 1.140 2079 T HN 0.865 nan 8.240 nan 0.000 0.473 2080 T N 2.247 116.849 114.554 0.081 0.000 2.802 2080 T HA 0.552 4.902 4.350 0.001 0.000 0.311 2080 T C -2.068 172.645 174.700 0.021 0.000 1.405 2080 T CA -0.702 61.454 62.100 0.093 0.000 1.016 2080 T CB 1.472 70.475 68.868 0.226 0.000 1.352 2080 T HN 0.790 nan 8.240 nan 0.000 0.498 2081 D N 2.473 122.821 120.400 -0.087 0.000 2.193 2081 D HA 0.540 5.180 4.640 0.001 0.000 0.249 2081 D C 0.303 176.349 176.300 -0.425 0.000 1.034 2081 D CA -0.660 53.193 54.000 -0.246 0.000 0.902 2081 D CB 1.028 41.644 40.800 -0.307 0.000 1.182 2081 D HN 0.786 nan 8.370 nan 0.000 0.436 2082 I N -2.357 117.947 120.570 -0.443 0.000 2.750 2082 I HA 0.494 4.665 4.170 0.001 0.000 0.308 2082 I C -0.380 175.297 176.117 -0.734 0.000 1.016 2082 I CA -0.937 60.103 61.300 -0.433 0.000 1.098 2082 I CB 1.849 39.745 38.000 -0.174 0.000 1.279 2082 I HN 0.304 nan 8.210 nan 0.000 0.454 2083 H N 0.518 119.531 119.070 -0.095 0.000 3.255 2083 H HA 0.444 5.000 4.556 0.001 0.000 0.256 2083 H C -0.546 174.752 175.328 -0.049 0.000 1.049 2083 H CA -0.199 55.808 56.048 -0.068 0.000 1.202 2083 H CB 0.737 30.464 29.762 -0.057 0.000 1.497 2083 H HN 0.594 nan 8.280 nan 0.000 0.503 2084 E N -0.323 119.848 120.200 -0.049 0.000 2.356 2084 E HA 0.272 4.622 4.350 0.001 0.000 0.275 2084 E C 0.058 176.558 176.600 -0.166 0.000 0.904 2084 E CA -0.312 56.064 56.400 -0.039 0.000 0.757 2084 E CB 2.466 32.233 29.700 0.112 0.000 1.232 2084 E HN -0.032 nan 8.360 nan 0.000 0.442 2085 S N 1.451 117.149 115.700 -0.003 0.000 2.392 2085 S HA -0.178 4.293 4.470 0.001 0.000 0.232 2085 S C 1.541 176.161 174.600 0.032 0.000 1.041 2085 S CA 1.771 59.984 58.200 0.022 0.000 1.026 2085 S CB -0.249 63.007 63.200 0.093 0.000 0.845 2085 S HN 0.722 nan 8.310 nan 0.000 0.465 2086 W N 1.824 123.157 121.300 0.055 0.000 2.465 2086 W HA -0.053 4.608 4.660 0.001 0.000 0.268 2086 W C 1.170 177.718 176.519 0.048 0.000 1.242 2086 W CA 0.671 58.043 57.345 0.046 0.000 1.248 2086 W CB -0.824 28.661 29.460 0.042 0.000 1.118 2086 W HN 0.405 nan 8.180 nan 0.000 0.587 2087 Q N 0.913 120.280 119.800 -0.722 0.000 2.378 2087 Q HA 0.020 4.360 4.340 0.001 0.000 0.205 2087 Q C 2.653 178.511 176.000 -0.237 0.000 0.954 2087 Q CA 1.169 56.568 55.803 -0.674 0.000 0.901 2087 Q CB -0.276 27.992 28.738 -0.783 0.000 0.981 2087 Q HN 0.312 nan 8.270 nan 0.000 0.483 2088 A N 1.851 124.589 122.820 -0.136 0.000 1.865 2088 A HA -0.294 4.027 4.320 0.001 0.000 0.217 2088 A C 1.977 179.549 177.584 -0.021 0.000 1.191 2088 A CA 1.776 53.779 52.037 -0.056 0.000 0.623 2088 A CB -0.536 18.450 19.000 -0.025 0.000 0.826 2088 A HN 0.427 nan 8.150 nan 0.000 0.444 2089 E N -0.428 119.777 120.200 0.009 0.000 2.023 2089 E HA -0.162 4.188 4.350 0.001 0.000 0.196 2089 E C -0.467 176.142 176.600 0.016 0.000 1.003 2089 E CA 1.538 57.953 56.400 0.026 0.000 0.809 2089 E CB -0.605 29.128 29.700 0.055 0.000 0.755 2089 E HN 0.500 nan 8.360 nan 0.000 0.449 2090 P HA -0.126 nan 4.420 nan 0.000 0.217 2090 P C 1.628 178.905 177.300 -0.039 0.000 1.150 2090 P CA 1.065 64.165 63.100 -0.000 0.000 0.832 2090 P CB -0.002 31.711 31.700 0.022 0.000 0.787 2091 V N 0.980 120.855 119.914 -0.064 0.000 2.427 2091 V HA -0.173 3.947 4.120 0.001 0.000 0.248 2091 V C 2.811 178.902 176.094 -0.004 0.000 1.051 2091 V CA 1.983 64.254 62.300 -0.048 0.000 1.048 2091 V CB -1.669 30.143 31.823 -0.018 0.000 0.666 2091 V HN 0.099 nan 8.190 nan 0.000 0.456 2092 A N -0.356 122.465 122.820 0.000 0.000 2.125 2092 A HA -0.182 4.139 4.320 0.001 0.000 0.219 2092 A C 2.077 179.670 177.584 0.014 0.000 1.156 2092 A CA 1.328 53.373 52.037 0.013 0.000 0.671 2092 A CB -0.336 18.672 19.000 0.013 0.000 0.794 2092 A HN 0.584 nan 8.150 nan 0.000 0.459 2093 E N -0.389 119.816 120.200 0.007 0.000 2.204 2093 E HA -0.088 4.262 4.350 0.001 0.000 0.194 2093 E C 1.692 178.298 176.600 0.009 0.000 0.989 2093 E CA 1.493 57.897 56.400 0.007 0.000 0.824 2093 E CB -0.153 29.547 29.700 -0.000 0.000 0.756 2093 E HN 0.518 nan 8.360 nan 0.000 0.477 2094 V N 0.262 120.185 119.914 0.014 0.000 3.090 2094 V HA 0.214 4.335 4.120 0.001 0.000 0.237 2094 V C 0.943 177.062 176.094 0.042 0.000 1.209 2094 V CA 0.436 62.750 62.300 0.023 0.000 1.209 2094 V CB 0.013 31.848 31.823 0.021 0.000 0.971 2094 V HN 0.078 nan 8.190 nan 0.000 0.477 2095 A N 1.035 123.884 122.820 0.049 0.000 2.491 2095 A HA 0.110 4.431 4.320 0.001 0.000 0.261 2095 A C 0.978 178.593 177.584 0.052 0.000 1.101 2095 A CA 0.172 52.246 52.037 0.061 0.000 0.772 2095 A CB -0.175 18.864 19.000 0.065 0.000 1.043 2095 A HN 0.459 nan 8.150 nan 0.000 0.501 2096 D N 1.629 122.063 120.400 0.057 0.000 2.194 2096 D HA 0.051 4.691 4.640 0.001 0.000 0.204 2096 D C 0.194 176.527 176.300 0.055 0.000 0.964 2096 D CA 1.385 55.417 54.000 0.054 0.000 0.846 2096 D CB 0.232 41.067 40.800 0.058 0.000 0.962 2096 D HN 0.593 nan 8.370 nan 0.000 0.490 2097 I N 1.451 122.047 120.570 0.044 0.000 2.466 2097 I HA 0.272 4.442 4.170 0.001 0.000 0.289 2097 I C -0.404 175.730 176.117 0.028 0.000 1.026 2097 I CA -0.609 60.713 61.300 0.036 0.000 1.078 2097 I CB 2.748 40.735 38.000 -0.021 0.000 1.249 2097 I HN -0.308 nan 8.210 nan 0.000 0.429 2098 I N 5.623 126.210 120.570 0.030 0.000 2.331 2098 I HA 0.237 4.407 4.170 0.001 0.000 0.292 2098 I C 0.087 176.196 176.117 -0.014 0.000 0.998 2098 I CA -0.311 60.995 61.300 0.010 0.000 1.267 2098 I CB 1.360 39.364 38.000 0.006 0.000 1.386 2098 I HN 0.599 nan 8.210 nan 0.000 0.476 2099 Q N 6.410 126.184 119.800 -0.043 0.000 2.256 2099 Q HA 0.413 4.754 4.340 0.001 0.000 0.254 2099 Q C -1.129 174.792 176.000 -0.131 0.000 0.916 2099 Q CA -0.710 55.042 55.803 -0.084 0.000 0.932 2099 Q CB 1.416 30.101 28.738 -0.089 0.000 1.207 2099 Q HN 0.476 nan 8.270 nan 0.000 0.426 2100 I N 6.474 126.968 120.570 -0.127 0.000 2.339 2100 I HA 0.346 4.516 4.170 0.001 0.000 0.290 2100 I C -2.175 173.842 176.117 -0.168 0.000 0.994 2100 I CA -2.624 58.596 61.300 -0.134 0.000 1.191 2100 I CB 0.910 38.862 38.000 -0.079 0.000 1.343 2100 I HN 0.528 nan 8.210 nan 0.000 0.458 2101 P HA 0.051 nan 4.420 nan 0.000 0.268 2101 P C 0.636 177.829 177.300 -0.178 0.000 1.208 2101 P CA 0.124 63.103 63.100 -0.201 0.000 0.777 2101 P CB 0.889 32.511 31.700 -0.130 0.000 0.875 2102 A N 2.271 124.916 122.820 -0.292 0.000 1.883 2102 A HA -0.219 4.102 4.320 0.001 0.000 0.217 2102 A C 1.677 179.242 177.584 -0.032 0.000 1.186 2102 A CA 1.789 53.660 52.037 -0.276 0.000 0.624 2102 A CB -1.648 17.093 19.000 -0.432 0.000 0.822 2102 A HN 0.512 nan 8.150 nan 0.000 0.444 2103 F N -0.261 119.713 119.950 0.040 0.000 2.451 2103 F HA 0.025 4.553 4.527 0.000 0.000 0.299 2103 F C 1.590 177.501 175.800 0.185 0.000 1.101 2103 F CA 0.413 58.532 58.000 0.198 0.000 1.436 2103 F CB -0.531 38.543 39.000 0.123 0.000 1.074 2103 F HN 0.104 nan 8.300 nan 0.000 0.553 2104 L N -0.536 120.838 121.223 0.252 0.000 2.667 2104 L HA 0.091 4.431 4.340 0.001 0.000 0.232 2104 L C 1.927 178.862 176.870 0.108 0.000 1.138 2104 L CA -0.041 54.893 54.840 0.157 0.000 0.921 2104 L CB -0.720 41.391 42.059 0.088 0.000 1.180 2104 L HN 0.235 nan 8.230 nan 0.000 0.487 2105 C N -1.258 118.110 119.300 0.113 0.000 2.430 2105 C HA 0.005 4.466 4.460 0.001 0.000 0.288 2105 C C 2.216 177.256 174.990 0.083 0.000 1.448 2105 C CA -0.036 59.013 59.018 0.051 0.000 1.784 2105 C CB -0.833 26.892 27.740 -0.026 0.000 1.776 2105 C HN 0.444 nan 8.230 nan 0.000 0.547 2106 R N -0.059 120.526 120.500 0.141 0.000 2.397 2106 R HA 0.170 4.511 4.340 0.001 0.000 0.241 2106 R C 0.208 176.541 176.300 0.055 0.000 0.914 2106 R CA 0.136 56.296 56.100 0.100 0.000 1.071 2106 R CB -0.156 30.222 30.300 0.130 0.000 1.116 2106 R HN 0.595 nan 8.270 nan 0.000 0.524 2107 Q N 1.350 121.184 119.800 0.056 0.000 2.381 2107 Q HA 0.081 4.422 4.340 0.001 0.000 0.243 2107 Q C 0.788 176.806 176.000 0.029 0.000 1.154 2107 Q CA 0.225 56.052 55.803 0.039 0.000 0.899 2107 Q CB 0.723 29.489 28.738 0.046 0.000 1.396 2107 Q HN 0.038 nan 8.270 nan 0.000 0.485 2108 T N 1.597 116.163 114.554 0.021 0.000 2.624 2108 T HA -0.193 4.157 4.350 0.001 0.000 0.268 2108 T C 0.906 175.627 174.700 0.034 0.000 1.041 2108 T CA 1.836 63.947 62.100 0.019 0.000 1.159 2108 T CB 0.064 68.934 68.868 0.004 0.000 0.863 2108 T HN 0.489 nan 8.240 nan 0.000 0.434 2109 D N 0.594 121.016 120.400 0.037 0.000 2.178 2109 D HA -0.019 4.621 4.640 0.001 0.000 0.201 2109 D C 2.007 178.333 176.300 0.043 0.000 0.980 2109 D CA 0.448 54.477 54.000 0.048 0.000 0.842 2109 D CB -0.390 40.441 40.800 0.052 0.000 0.948 2109 D HN 0.193 nan 8.370 nan 0.000 0.472 2110 L N 0.487 121.729 121.223 0.032 0.000 2.056 2110 L HA -0.062 4.278 4.340 0.001 0.000 0.207 2110 L C 2.168 179.044 176.870 0.011 0.000 1.078 2110 L CA 1.256 56.105 54.840 0.014 0.000 0.749 2110 L CB -0.447 41.616 42.059 0.006 0.000 0.901 2110 L HN -0.019 nan 8.230 nan 0.000 0.433 2111 L N -1.383 119.851 121.223 0.019 0.000 2.046 2111 L HA -0.224 4.116 4.340 0.001 0.000 0.208 2111 L C 2.452 179.345 176.870 0.038 0.000 1.077 2111 L CA 1.149 56.002 54.840 0.023 0.000 0.747 2111 L CB -0.534 41.541 42.059 0.026 0.000 0.896 2111 L HN 0.283 nan 8.230 nan 0.000 0.432 2112 L N -0.560 120.696 121.223 0.054 0.000 2.093 2112 L HA -0.149 4.191 4.340 0.001 0.000 0.208 2112 L C 2.867 179.766 176.870 0.049 0.000 1.085 2112 L CA 1.004 55.886 54.840 0.071 0.000 0.755 2112 L CB -0.709 41.408 42.059 0.097 0.000 0.904 2112 L HN 0.229 nan 8.230 nan 0.000 0.435 2113 A N 0.103 122.947 122.820 0.040 0.000 1.933 2113 A HA -0.141 4.180 4.320 0.001 0.000 0.218 2113 A C 2.521 180.116 177.584 0.018 0.000 1.175 2113 A CA 1.681 53.737 52.037 0.031 0.000 0.628 2113 A CB -0.565 18.451 19.000 0.028 0.000 0.814 2113 A HN 0.397 nan 8.150 nan 0.000 0.444 2114 A N -0.135 122.692 122.820 0.012 0.000 1.873 2114 A HA 0.222 4.542 4.320 0.001 0.000 0.215 2114 A C 2.498 180.093 177.584 0.018 0.000 1.186 2114 A CA 1.887 53.928 52.037 0.007 0.000 0.616 2114 A CB -1.026 17.974 19.000 0.000 0.000 0.823 2114 A HN 1.049 nan 8.150 nan 0.000 0.442 2115 A N -0.278 122.557 122.820 0.024 0.000 1.972 2115 A HA -0.164 4.156 4.320 0.001 0.000 0.219 2115 A C 2.097 179.690 177.584 0.015 0.000 1.169 2115 A CA 1.931 53.982 52.037 0.024 0.000 0.635 2115 A CB -0.432 18.587 19.000 0.032 0.000 0.810 2115 A HN 0.547 nan 8.150 nan 0.000 0.446 2116 K N -0.006 120.403 120.400 0.016 0.000 2.283 2116 K HA -0.124 4.197 4.320 0.001 0.000 0.202 2116 K C 1.869 178.475 176.600 0.011 0.000 1.048 2116 K CA 1.660 57.953 56.287 0.009 0.000 0.948 2116 K CB -0.267 32.242 32.500 0.016 0.000 0.742 2116 K HN 0.633 nan 8.250 nan 0.000 0.458 2117 T N -3.235 111.328 114.554 0.015 0.000 3.072 2117 T HA 0.059 4.410 4.350 0.001 0.000 0.266 2117 T C 1.462 176.171 174.700 0.016 0.000 1.127 2117 T CA 0.992 63.102 62.100 0.016 0.000 1.107 2117 T CB -0.153 68.725 68.868 0.017 0.000 0.910 2117 T HN 0.412 nan 8.240 nan 0.000 0.513 2118 G N 1.346 110.155 108.800 0.015 0.000 2.225 2118 G HA2 -0.249 3.711 3.960 0.001 0.000 0.254 2118 G HA3 -0.249 3.711 3.960 0.001 0.000 0.254 2118 G C 0.414 175.328 174.900 0.025 0.000 0.988 2118 G CA -0.001 45.109 45.100 0.016 0.000 0.625 2118 G HN 0.629 nan 8.290 nan 0.000 0.527 2119 R N 0.830 121.348 120.500 0.030 0.000 2.738 2119 R HA 0.683 5.023 4.340 0.001 0.000 0.275 2119 R C 0.929 177.263 176.300 0.056 0.000 1.121 2119 R CA 0.303 56.428 56.100 0.042 0.000 1.207 2119 R CB -0.184 30.141 30.300 0.040 0.000 1.141 2119 R HN 0.741 nan 8.270 nan 0.000 0.571 2120 A N 0.583 123.453 122.820 0.083 0.000 2.351 2120 A HA 0.453 4.773 4.320 0.001 0.000 0.257 2120 A C -0.384 177.275 177.584 0.124 0.000 1.087 2120 A CA -0.427 51.687 52.037 0.129 0.000 0.798 2120 A CB 0.674 19.808 19.000 0.223 0.000 1.033 2120 A HN 0.317 nan 8.150 nan 0.000 0.488 2121 V N 2.151 122.154 119.914 0.148 0.000 2.588 2121 V HA 0.365 4.485 4.120 0.001 0.000 0.304 2121 V C -0.138 176.061 176.094 0.175 0.000 1.042 2121 V CA -0.739 61.628 62.300 0.112 0.000 0.877 2121 V CB 1.730 33.590 31.823 0.062 0.000 0.996 2121 V HN 0.975 nan 8.190 nan 0.000 0.425 2122 N N 3.295 122.056 118.700 0.103 0.000 2.479 2122 N HA 0.552 5.293 4.740 0.001 0.000 0.261 2122 N C -1.334 174.169 175.510 -0.010 0.000 0.979 2122 N CA -0.397 52.703 53.050 0.082 0.000 0.930 2122 N CB 1.728 40.196 38.487 -0.031 0.000 1.172 2122 N HN 0.454 nan 8.380 nan 0.000 0.499 2123 V N 3.845 123.756 119.914 -0.006 0.000 2.383 2123 V HA 0.261 4.381 4.120 0.001 0.000 0.275 2123 V C 0.224 176.247 176.094 -0.118 0.000 1.036 2123 V CA -0.729 61.535 62.300 -0.061 0.000 0.889 2123 V CB 1.132 32.935 31.823 -0.033 0.000 0.985 2123 V HN 0.569 nan 8.190 nan 0.000 0.459 2124 K N 3.927 124.214 120.400 -0.189 0.000 2.349 2124 K HA 0.182 4.503 4.320 0.001 0.000 0.288 2124 K C 0.094 176.551 176.600 -0.240 0.000 1.058 2124 K CA -0.196 55.931 56.287 -0.267 0.000 0.953 2124 K CB 0.736 33.021 32.500 -0.359 0.000 0.997 2124 K HN 0.619 nan 8.250 nan 0.000 0.477 2125 K N 1.814 122.072 120.400 -0.237 0.000 2.412 2125 K HA 0.076 4.396 4.320 0.001 0.000 0.284 2125 K C 0.321 176.702 176.600 -0.364 0.000 1.046 2125 K CA -0.096 56.039 56.287 -0.254 0.000 0.999 2125 K CB 0.372 32.745 32.500 -0.212 0.000 0.941 2125 K HN 0.700 nan 8.250 nan 0.000 0.474 2126 G N 3.239 111.728 108.800 -0.518 0.000 2.474 2126 G HA2 -0.106 3.854 3.960 0.001 0.000 0.233 2126 G HA3 -0.106 3.854 3.960 0.001 0.000 0.233 2126 G C 0.186 174.632 174.900 -0.757 0.000 1.278 2126 G CA -0.391 44.181 45.100 -0.880 0.000 0.861 2126 G HN 0.811 nan 8.290 nan 0.000 0.567 2127 Q N 0.653 120.179 119.800 -0.456 0.000 2.437 2127 Q HA -0.032 4.309 4.340 0.001 0.000 0.210 2127 Q C 1.617 177.555 176.000 -0.105 0.000 0.972 2127 Q CA 1.282 56.980 55.803 -0.175 0.000 0.903 2127 Q CB -0.159 28.605 28.738 0.044 0.000 0.967 2127 Q HN 0.821 nan 8.270 nan 0.000 0.486 2128 F N -2.956 117.007 119.950 0.023 0.000 2.721 2128 F HA 0.345 4.873 4.527 0.001 0.000 0.301 2128 F C 0.240 176.019 175.800 -0.036 0.000 1.096 2128 F CA -0.864 57.138 58.000 0.004 0.000 1.308 2128 F CB 0.014 39.024 39.000 0.017 0.000 1.086 2128 F HN -0.128 nan 8.300 nan 0.000 0.587 2129 L N 2.026 123.068 121.223 -0.303 0.000 2.312 2129 L HA 0.707 5.048 4.340 0.001 0.000 0.281 2129 L C 0.284 177.000 176.870 -0.257 0.000 1.070 2129 L CA -1.084 53.639 54.840 -0.195 0.000 0.805 2129 L CB 0.948 42.818 42.059 -0.314 0.000 1.174 2129 L HN 0.232 nan 8.230 nan 0.000 0.434 2130 A N 6.022 128.650 122.820 -0.321 0.000 2.322 2130 A HA 0.533 4.854 4.320 0.001 0.000 0.269 2130 A C -1.789 175.345 177.584 -0.751 0.000 1.094 2130 A CA -1.082 50.540 52.037 -0.692 0.000 0.807 2130 A CB -0.075 18.337 19.000 -0.980 0.000 1.047 2130 A HN 0.749 nan 8.150 nan 0.000 0.487 2131 P HA -0.192 nan 4.420 nan 0.000 0.215 2131 P C 0.982 178.264 177.300 -0.030 0.000 1.157 2131 P CA 2.203 65.093 63.100 -0.351 0.000 0.874 2131 P CB -0.142 31.405 31.700 -0.255 0.000 0.790 2132 W N -0.559 120.882 121.300 0.234 0.000 2.525 2132 W HA 0.013 4.674 4.660 0.001 0.000 0.259 2132 W C 0.787 177.354 176.519 0.079 0.000 1.253 2132 W CA 0.594 58.128 57.345 0.315 0.000 1.262 2132 W CB -1.741 27.849 29.460 0.216 0.000 1.122 2132 W HN -0.102 nan 8.180 nan 0.000 0.607 2133 D N 0.820 121.204 120.400 -0.028 0.000 2.336 2133 D HA -0.060 4.580 4.640 0.001 0.000 0.229 2133 D C 1.846 178.082 176.300 -0.106 0.000 1.061 2133 D CA 1.535 55.514 54.000 -0.036 0.000 0.875 2133 D CB -0.160 40.618 40.800 -0.037 0.000 0.904 2133 D HN 0.378 nan 8.370 nan 0.000 0.525 2134 T N -2.497 112.006 114.554 -0.085 0.000 3.081 2134 T HA 0.013 4.363 4.350 0.001 0.000 0.255 2134 T C 1.713 176.171 174.700 -0.402 0.000 1.113 2134 T CA 0.123 62.172 62.100 -0.084 0.000 1.082 2134 T CB 0.393 69.355 68.868 0.155 0.000 0.939 2134 T HN 0.005 nan 8.240 nan 0.000 0.506 2135 K N 1.681 121.534 120.400 -0.911 0.000 2.063 2135 K HA -0.130 4.191 4.320 0.001 0.000 0.208 2135 K C 2.048 178.277 176.600 -0.619 0.000 1.048 2135 K CA 1.689 57.098 56.287 -1.464 0.000 0.928 2135 K CB -0.334 31.211 32.500 -1.590 0.000 0.713 2135 K HN 0.491 nan 8.250 nan 0.000 0.442 2136 N N -0.260 118.214 118.700 -0.377 0.000 2.244 2136 N HA -0.128 4.613 4.740 0.001 0.000 0.183 2136 N C 1.683 177.102 175.510 -0.151 0.000 1.016 2136 N CA 0.804 53.728 53.050 -0.210 0.000 0.866 2136 N CB 0.154 38.557 38.487 -0.139 0.000 0.980 2136 N HN -0.031 nan 8.380 nan 0.000 0.430 2137 V N 0.695 120.523 119.914 -0.145 0.000 2.295 2137 V HA -0.193 3.927 4.120 0.001 0.000 0.246 2137 V C 2.234 178.293 176.094 -0.059 0.000 1.049 2137 V CA 1.331 63.585 62.300 -0.076 0.000 1.024 2137 V CB -0.416 31.374 31.823 -0.055 0.000 0.648 2137 V HN 0.138 nan 8.190 nan 0.000 0.447 2138 V N -0.012 119.849 119.914 -0.089 0.000 2.343 2138 V HA -0.309 3.812 4.120 0.001 0.000 0.247 2138 V C 2.471 178.553 176.094 -0.021 0.000 1.051 2138 V CA 2.377 64.658 62.300 -0.032 0.000 1.036 2138 V CB -0.599 31.217 31.823 -0.012 0.000 0.654 2138 V HN 0.701 nan 8.190 nan 0.000 0.451 2139 E N 0.277 120.439 120.200 -0.063 0.000 2.085 2139 E HA -0.281 4.069 4.350 0.001 0.000 0.194 2139 E C 2.270 178.892 176.600 0.036 0.000 0.994 2139 E CA 1.579 57.967 56.400 -0.020 0.000 0.801 2139 E CB -0.078 29.581 29.700 -0.067 0.000 0.743 2139 E HN 0.578 nan 8.360 nan 0.000 0.453 2140 K N 0.204 120.607 120.400 0.005 0.000 2.032 2140 K HA -0.166 4.154 4.320 0.001 0.000 0.209 2140 K C 2.340 179.014 176.600 0.124 0.000 1.048 2140 K CA 1.556 57.871 56.287 0.047 0.000 0.927 2140 K CB -0.218 32.287 32.500 0.008 0.000 0.712 2140 K HN 0.223 nan 8.250 nan 0.000 0.441 2141 L N 1.113 122.380 121.223 0.072 0.000 2.017 2141 L HA -0.225 4.116 4.340 0.001 0.000 0.208 2141 L C 2.396 179.312 176.870 0.076 0.000 1.073 2141 L CA 1.454 56.335 54.840 0.069 0.000 0.745 2141 L CB -0.379 41.705 42.059 0.041 0.000 0.894 2141 L HN 0.165 nan 8.230 nan 0.000 0.432 2142 K N -0.540 119.906 120.400 0.077 0.000 2.057 2142 K HA -0.221 4.099 4.320 0.001 0.000 0.207 2142 K C 2.088 178.739 176.600 0.086 0.000 1.049 2142 K CA 1.619 57.946 56.287 0.066 0.000 0.931 2142 K CB -0.328 32.211 32.500 0.064 0.000 0.714 2142 K HN 0.101 nan 8.250 nan 0.000 0.440 2143 F N 1.259 121.204 119.950 -0.007 0.000 2.161 2143 F HA -0.121 4.406 4.527 0.001 0.000 0.300 2143 F C 1.878 177.678 175.800 -0.001 0.000 1.089 2143 F CA 1.697 59.694 58.000 -0.005 0.000 1.282 2143 F CB -0.380 38.615 39.000 -0.008 0.000 1.010 2143 F HN -0.012 nan 8.300 nan 0.000 0.485 2144 G N -1.218 107.636 108.800 0.091 0.000 2.848 2144 G HA2 0.270 4.230 3.960 0.001 0.000 0.208 2144 G HA3 0.270 4.230 3.960 0.001 0.000 0.208 2144 G C 1.328 176.197 174.900 -0.052 0.000 1.152 2144 G CA 0.397 45.501 45.100 0.005 0.000 0.789 2144 G HN 0.989 nan 8.290 nan 0.000 0.531 2145 G N -1.546 107.220 108.800 -0.057 0.000 2.179 2145 G HA2 0.140 4.100 3.960 0.001 0.000 0.220 2145 G HA3 0.140 4.100 3.960 0.001 0.000 0.220 2145 G C 0.498 175.389 174.900 -0.014 0.000 0.990 2145 G CA 0.132 45.203 45.100 -0.048 0.000 0.646 2145 G HN 1.275 nan 8.290 nan 0.000 0.517 2146 A N -0.018 122.804 122.820 0.004 0.000 2.425 2146 A HA 0.718 5.039 4.320 0.001 0.000 0.249 2146 A C 1.111 178.698 177.584 0.005 0.000 1.084 2146 A CA 1.045 53.089 52.037 0.012 0.000 0.781 2146 A CB 0.434 19.448 19.000 0.024 0.000 1.019 2146 A HN 0.375 nan 8.150 nan 0.000 0.490 2147 K N 0.610 121.011 120.400 0.001 0.000 2.462 2147 K HA 0.117 4.438 4.320 0.001 0.000 0.201 2147 K C 0.154 176.735 176.600 -0.031 0.000 1.268 2147 K CA 0.197 56.479 56.287 -0.009 0.000 0.933 2147 K CB 0.705 33.203 32.500 -0.004 0.000 1.162 2147 K HN 0.791 nan 8.250 nan 0.000 0.527 2148 E N 2.139 122.322 120.200 -0.029 0.000 2.063 2148 E HA 0.299 4.649 4.350 0.001 0.000 0.265 2148 E C -1.225 175.306 176.600 -0.115 0.000 0.919 2148 E CA -0.224 56.123 56.400 -0.088 0.000 0.756 2148 E CB 0.538 30.240 29.700 0.005 0.000 1.120 2148 E HN 0.095 nan 8.360 nan 0.000 0.414 2149 I N 4.408 124.836 120.570 -0.237 0.000 2.465 2149 I HA 0.343 4.513 4.170 0.001 0.000 0.291 2149 I C -1.044 174.890 176.117 -0.306 0.000 1.014 2149 I CA -0.878 60.332 61.300 -0.149 0.000 1.093 2149 I CB 1.161 39.134 38.000 -0.044 0.000 1.267 2149 I HN 0.465 nan 8.210 nan 0.000 0.431 2150 Y N 5.553 125.858 120.300 0.008 0.000 2.524 2150 Y HA 0.675 5.225 4.550 0.001 0.000 0.344 2150 Y C -0.476 175.417 175.900 -0.012 0.000 1.012 2150 Y CA -0.860 57.236 58.100 -0.006 0.000 1.068 2150 Y CB 1.885 40.330 38.460 -0.026 0.000 1.249 2150 Y HN 0.264 nan 8.280 nan 0.000 0.468 2151 L N 2.230 123.540 121.223 0.146 0.000 2.356 2151 L HA 0.583 4.924 4.340 0.001 0.000 0.277 2151 L C -0.763 176.115 176.870 0.013 0.000 0.996 2151 L CA -0.574 54.303 54.840 0.062 0.000 0.822 2151 L CB 2.195 44.303 42.059 0.081 0.000 1.256 2151 L HN 0.642 nan 8.230 nan 0.000 0.413 2152 T N 1.200 115.712 114.554 -0.070 0.000 2.770 2152 T HA 0.229 4.579 4.350 0.001 0.000 0.283 2152 T C -0.351 174.246 174.700 -0.172 0.000 0.988 2152 T CA -0.439 61.578 62.100 -0.138 0.000 0.957 2152 T CB 1.565 70.274 68.868 -0.265 0.000 0.930 2152 T HN 0.414 nan 8.240 nan 0.000 0.443 2153 E N 2.702 122.828 120.200 -0.124 0.000 2.290 2153 E HA 0.270 4.621 4.350 0.001 0.000 0.277 2153 E C 0.500 176.968 176.600 -0.220 0.000 1.035 2153 E CA -0.471 55.853 56.400 -0.126 0.000 0.873 2153 E CB 0.442 30.139 29.700 -0.005 0.000 1.029 2153 E HN 0.624 nan 8.360 nan 0.000 0.419 2154 R N 3.018 123.374 120.500 -0.240 0.000 2.592 2154 R HA 0.488 4.828 4.340 0.001 0.000 0.439 2154 R C 0.143 176.335 176.300 -0.180 0.000 0.995 2154 R CA -0.179 55.764 56.100 -0.262 0.000 1.141 2154 R CB 0.081 30.180 30.300 -0.336 0.000 1.495 2154 R HN 0.651 nan 8.270 nan 0.000 0.579 2155 G N -0.011 108.693 108.800 -0.161 0.000 2.662 2155 G HA2 -0.026 3.934 3.960 0.001 0.000 0.686 2155 G HA3 -0.026 3.934 3.960 0.001 0.000 0.686 2155 G C -0.879 173.947 174.900 -0.123 0.000 1.271 2155 G CA -0.452 44.572 45.100 -0.127 0.000 0.816 2155 G HN 0.187 nan 8.290 nan 0.000 0.608 2156 T N 0.869 115.369 114.554 -0.089 0.000 2.893 2156 T HA 0.656 5.007 4.350 0.001 0.000 0.291 2156 T C 0.436 175.158 174.700 0.036 0.000 1.028 2156 T CA -0.044 62.022 62.100 -0.056 0.000 0.995 2156 T CB 1.699 70.519 68.868 -0.079 0.000 1.051 2156 T HN 0.878 nan 8.240 nan 0.000 0.470 2157 T N 2.973 117.568 114.554 0.069 0.000 2.871 2157 T HA 0.156 4.507 4.350 0.001 0.000 0.296 2157 T C -0.736 174.071 174.700 0.178 0.000 0.998 2157 T CA 0.502 62.675 62.100 0.121 0.000 1.162 2157 T CB -0.447 68.492 68.868 0.119 0.000 0.947 2157 T HN 0.421 nan 8.240 nan 0.000 0.536 2158 F N 4.008 123.949 119.950 -0.015 0.000 2.691 2158 F HA 0.524 5.051 4.527 0.001 0.000 0.371 2158 F C 0.698 176.464 175.800 -0.056 0.000 1.159 2158 F CA 0.035 58.013 58.000 -0.037 0.000 1.174 2158 F CB -0.123 38.858 39.000 -0.031 0.000 1.419 2158 F HN 0.923 nan 8.300 nan 0.000 0.514 2159 G N 2.873 111.444 108.800 -0.381 0.000 2.598 2159 G HA2 -0.286 3.674 3.960 0.001 0.000 0.244 2159 G HA3 -0.286 3.674 3.960 0.001 0.000 0.244 2159 G C -1.341 173.387 174.900 -0.287 0.000 1.302 2159 G CA -0.324 44.485 45.100 -0.484 0.000 0.903 2159 G HN 0.503 nan 8.290 nan 0.000 0.575 2160 Y N 1.614 121.878 120.300 -0.060 0.000 2.334 2160 Y HA 0.495 5.045 4.550 0.001 0.000 0.328 2160 Y C 1.414 177.324 175.900 0.017 0.000 1.130 2160 Y CA -0.498 57.596 58.100 -0.011 0.000 1.163 2160 Y CB 1.055 39.506 38.460 -0.014 0.000 1.207 2160 Y HN 0.649 nan 8.280 nan 0.000 0.471 2161 N N 1.914 120.746 118.700 0.220 0.000 2.727 2161 N HA -0.320 4.420 4.740 0.001 0.000 0.249 2161 N C -0.828 174.762 175.510 0.133 0.000 1.048 2161 N CA 1.026 54.165 53.050 0.148 0.000 0.714 2161 N CB -1.095 37.464 38.487 0.120 0.000 0.959 2161 N HN 0.897 nan 8.380 nan 0.000 0.544 2162 N N -0.352 118.433 118.700 0.142 0.000 2.446 2162 N HA 0.504 5.244 4.740 0.001 0.000 0.272 2162 N C -1.532 174.080 175.510 0.170 0.000 1.127 2162 N CA -0.530 52.612 53.050 0.153 0.000 0.896 2162 N CB 1.542 40.140 38.487 0.185 0.000 1.658 2162 N HN -0.017 nan 8.380 nan 0.000 0.483 2163 L N 2.154 123.455 121.223 0.130 0.000 2.381 2163 L HA 0.693 5.033 4.340 0.001 0.000 0.268 2163 L C -0.696 176.184 176.870 0.017 0.000 0.997 2163 L CA -1.013 53.879 54.840 0.087 0.000 0.818 2163 L CB 2.046 44.129 42.059 0.041 0.000 1.310 2163 L HN 0.280 nan 8.230 nan 0.000 0.416 2164 V N 2.919 122.798 119.914 -0.060 0.000 2.769 2164 V HA 0.559 4.680 4.120 0.001 0.000 0.312 2164 V C -0.755 175.225 176.094 -0.190 0.000 1.061 2164 V CA -0.490 61.682 62.300 -0.214 0.000 0.931 2164 V CB 2.581 34.096 31.823 -0.514 0.000 1.010 2164 V HN 0.415 nan 8.190 nan 0.000 0.433 2165 V N 5.017 124.803 119.914 -0.214 0.000 2.333 2165 V HA 0.375 4.495 4.120 0.001 0.000 0.274 2165 V C -0.348 175.518 176.094 -0.380 0.000 1.028 2165 V CA -0.462 61.636 62.300 -0.338 0.000 0.851 2165 V CB 1.375 32.912 31.823 -0.478 0.000 1.000 2165 V HN 0.916 nan 8.190 nan 0.000 0.456 2166 D N 4.069 124.279 120.400 -0.317 0.000 2.441 2166 D HA 0.244 4.884 4.640 0.001 0.000 0.221 2166 D C 0.700 176.870 176.300 -0.217 0.000 1.156 2166 D CA -0.368 53.520 54.000 -0.188 0.000 0.896 2166 D CB 0.579 41.301 40.800 -0.129 0.000 1.028 2166 D HN 0.399 nan 8.370 nan 0.000 0.509 2167 F N 1.944 121.852 119.950 -0.071 0.000 2.583 2167 F HA -0.013 4.514 4.527 0.001 0.000 0.297 2167 F C 2.226 177.991 175.800 -0.059 0.000 1.131 2167 F CA 0.461 58.414 58.000 -0.078 0.000 1.467 2167 F CB 0.033 38.970 39.000 -0.105 0.000 1.097 2167 F HN 0.282 nan 8.300 nan 0.000 0.586 2168 R N -0.264 120.286 120.500 0.082 0.000 2.237 2168 R HA -0.121 4.219 4.340 0.001 0.000 0.219 2168 R C 2.445 178.762 176.300 0.029 0.000 1.080 2168 R CA 1.241 57.380 56.100 0.064 0.000 0.995 2168 R CB -0.499 29.849 30.300 0.080 0.000 0.875 2168 R HN 0.345 nan 8.270 nan 0.000 0.462 2169 S N 0.545 116.231 115.700 -0.024 0.000 2.423 2169 S HA -0.101 4.369 4.470 0.001 0.000 0.231 2169 S C 1.842 176.409 174.600 -0.054 0.000 1.014 2169 S CA 0.695 58.860 58.200 -0.058 0.000 0.965 2169 S CB -0.132 62.996 63.200 -0.120 0.000 0.785 2169 S HN 0.057 nan 8.310 nan 0.000 0.495 2170 L N 2.754 123.957 121.223 -0.033 0.000 1.970 2170 L HA 0.044 4.385 4.340 0.001 0.000 0.212 2170 L C -0.364 176.457 176.870 -0.082 0.000 1.071 2170 L CA 1.890 56.708 54.840 -0.037 0.000 0.751 2170 L CB -1.654 40.411 42.059 0.010 0.000 0.889 2170 L HN 0.273 nan 8.230 nan 0.000 0.432 2171 P HA -0.129 nan 4.420 nan 0.000 0.221 2171 P C 2.051 179.257 177.300 -0.157 0.000 1.150 2171 P CA 1.492 64.533 63.100 -0.099 0.000 0.800 2171 P CB 0.126 31.795 31.700 -0.052 0.000 0.787 2172 I N -0.685 119.809 120.570 -0.126 0.000 2.202 2172 I HA -0.185 3.985 4.170 0.001 0.000 0.242 2172 I C 2.731 178.550 176.117 -0.496 0.000 1.091 2172 I CA 1.489 62.681 61.300 -0.180 0.000 1.368 2172 I CB -0.573 37.454 38.000 0.044 0.000 1.058 2172 I HN -0.161 nan 8.210 nan 0.000 0.410 2173 M N 0.116 119.511 119.600 -0.343 0.000 2.296 2173 M HA -0.161 4.320 4.480 0.001 0.000 0.265 2173 M C 2.130 178.050 176.300 -0.633 0.000 1.064 2173 M CA 1.161 56.196 55.300 -0.443 0.000 1.109 2173 M CB -0.348 32.205 32.600 -0.078 0.000 1.396 2173 M HN -0.009 nan 8.290 nan 0.000 0.430 2174 K N 1.158 121.308 120.400 -0.417 0.000 2.360 2174 K HA -0.145 4.176 4.320 0.001 0.000 0.201 2174 K C 1.623 177.997 176.600 -0.376 0.000 1.046 2174 K CA 1.406 57.510 56.287 -0.305 0.000 0.945 2174 K CB -0.160 32.221 32.500 -0.198 0.000 0.750 2174 K HN 0.434 nan 8.250 nan 0.000 0.464 2175 Q N -1.252 118.158 119.800 -0.651 0.000 2.224 2175 Q HA -0.120 4.220 4.340 0.001 0.000 0.203 2175 Q C 0.643 176.490 176.000 -0.256 0.000 0.970 2175 Q CA 1.612 57.108 55.803 -0.510 0.000 0.865 2175 Q CB -0.059 28.260 28.738 -0.698 0.000 0.922 2175 Q HN 0.664 nan 8.270 nan 0.000 0.445 2176 W N -2.290 119.012 121.300 0.004 0.000 2.324 2176 W HA 0.709 5.370 4.660 0.001 0.000 0.316 2176 W C -0.112 176.391 176.519 -0.026 0.000 0.927 2176 W CA -0.214 57.128 57.345 -0.005 0.000 1.438 2176 W CB 0.302 29.766 29.460 0.006 0.000 1.085 2176 W HN -0.095 nan 8.180 nan 0.000 0.532 2177 A N 0.719 123.575 122.820 0.060 0.000 2.586 2177 A HA 0.607 4.927 4.320 0.001 0.000 0.290 2177 A C -1.050 176.501 177.584 -0.056 0.000 1.086 2177 A CA -1.257 50.799 52.037 0.031 0.000 0.665 2177 A CB 0.920 19.995 19.000 0.125 0.000 1.279 2177 A HN 0.026 nan 8.150 nan 0.000 0.423 2178 K N 0.285 120.620 120.400 -0.108 0.000 2.270 2178 K HA 0.521 4.842 4.320 0.001 0.000 0.276 2178 K C -0.856 175.765 176.600 0.034 0.000 1.023 2178 K CA -0.243 56.002 56.287 -0.070 0.000 0.955 2178 K CB 1.253 33.650 32.500 -0.172 0.000 0.975 2178 K HN 0.360 nan 8.250 nan 0.000 0.471 2179 V N 4.553 124.492 119.914 0.042 0.000 2.459 2179 V HA 0.344 4.464 4.120 0.001 0.000 0.295 2179 V C -0.274 175.860 176.094 0.067 0.000 1.029 2179 V CA -0.905 61.424 62.300 0.048 0.000 0.874 2179 V CB 1.401 33.223 31.823 -0.003 0.000 0.985 2179 V HN 0.584 nan 8.190 nan 0.000 0.438 2180 I N 4.211 124.817 120.570 0.060 0.000 2.493 2180 I HA 0.386 4.557 4.170 0.001 0.000 0.298 2180 I C -0.777 175.383 176.117 0.071 0.000 0.998 2180 I CA -0.853 60.465 61.300 0.031 0.000 1.137 2180 I CB 1.719 39.701 38.000 -0.029 0.000 1.310 2180 I HN 0.684 nan 8.210 nan 0.000 0.445 2181 Y N 5.003 125.304 120.300 0.003 0.000 2.331 2181 Y HA 0.321 4.871 4.550 0.001 0.000 0.338 2181 Y C -0.028 175.907 175.900 0.058 0.000 0.976 2181 Y CA -0.806 57.307 58.100 0.022 0.000 1.137 2181 Y CB 0.841 39.359 38.460 0.098 0.000 1.172 2181 Y HN 0.510 nan 8.280 nan 0.000 0.478 2182 D N 5.139 125.133 120.400 -0.676 0.000 2.365 2182 D HA 0.232 4.873 4.640 0.001 0.000 0.237 2182 D C 0.455 176.275 176.300 -0.798 0.000 1.190 2182 D CA 0.313 54.014 54.000 -0.498 0.000 0.867 2182 D CB 1.375 41.871 40.800 -0.507 0.000 1.050 2182 D HN 0.805 nan 8.370 nan 0.000 0.491 2183 A N 2.962 125.539 122.820 -0.404 0.000 2.119 2183 A HA -0.060 4.260 4.320 0.001 0.000 0.216 2183 A C 1.886 179.470 177.584 0.000 0.000 1.152 2183 A CA 1.432 53.372 52.037 -0.162 0.000 0.708 2183 A CB -0.184 18.923 19.000 0.180 0.000 0.805 2183 A HN 0.624 nan 8.150 nan 0.000 0.460 2184 T N -3.795 110.773 114.554 0.023 0.000 2.983 2184 T HA 0.012 4.363 4.350 0.001 0.000 0.250 2184 T C 1.601 176.221 174.700 -0.133 0.000 1.037 2184 T CA 1.245 63.321 62.100 -0.039 0.000 1.142 2184 T CB -0.515 68.303 68.868 -0.083 0.000 0.876 2184 T HN 0.519 nan 8.240 nan 0.000 0.455 2185 H N 1.127 120.167 119.070 -0.050 0.000 2.535 2185 H HA 0.396 4.953 4.556 0.001 0.000 0.273 2185 H C 2.380 177.656 175.328 -0.087 0.000 0.983 2185 H CA 0.781 56.781 56.048 -0.079 0.000 1.238 2185 H CB -0.037 29.635 29.762 -0.150 0.000 1.412 2185 H HN 0.295 nan 8.280 nan 0.000 0.562 2186 S N 0.136 115.829 115.700 -0.011 0.000 2.447 2186 S HA -0.087 4.384 4.470 0.001 0.000 0.233 2186 S C 1.971 176.597 174.600 0.044 0.000 1.006 2186 S CA 1.106 59.294 58.200 -0.020 0.000 0.957 2186 S CB -0.055 63.116 63.200 -0.049 0.000 0.773 2186 S HN 0.475 nan 8.310 nan 0.000 0.507 2187 V N -1.306 118.653 119.914 0.076 0.000 3.621 2187 V HA 0.284 4.404 4.120 0.001 0.000 0.285 2187 V C 0.340 176.494 176.094 0.101 0.000 1.346 2187 V CA -0.281 62.091 62.300 0.120 0.000 1.104 2187 V CB -0.542 31.406 31.823 0.209 0.000 0.913 2187 V HN 0.214 nan 8.190 nan 0.000 0.432 2188 Q N 1.178 121.014 119.800 0.061 0.000 2.373 2188 Q HA 0.509 4.850 4.340 0.001 0.000 0.255 2188 Q C -0.793 175.251 176.000 0.073 0.000 0.980 2188 Q CA 0.044 55.878 55.803 0.053 0.000 0.882 2188 Q CB 1.451 30.206 28.738 0.028 0.000 1.249 2188 Q HN 0.533 nan 8.270 nan 0.000 0.438 2189 L N 4.916 126.186 121.223 0.078 0.000 2.277 2189 L HA 0.380 4.720 4.340 0.001 0.000 0.284 2189 L C -1.943 174.981 176.870 0.089 0.000 1.028 2189 L CA -2.026 52.868 54.840 0.089 0.000 0.835 2189 L CB 0.599 42.713 42.059 0.092 0.000 1.215 2189 L HN 0.441 nan 8.230 nan 0.000 0.425 2200 M N 2.088 121.787 119.600 0.165 0.000 2.077 2200 M HA 0.435 4.916 4.480 0.001 0.000 0.348 2200 M C 1.543 177.872 176.300 0.048 0.000 1.252 2200 M CA -0.549 54.818 55.300 0.110 0.000 1.096 2200 M CB 1.551 34.264 32.600 0.189 0.000 1.568 2200 M HN 0.680 nan 8.290 nan 0.000 0.456 2201 R N 2.623 123.113 120.500 -0.018 0.000 2.193 2201 R HA -0.175 4.166 4.340 0.001 0.000 0.229 2201 R C 1.489 177.750 176.300 -0.065 0.000 1.110 2201 R CA 1.880 57.969 56.100 -0.018 0.000 0.988 2201 R CB 0.070 30.354 30.300 -0.027 0.000 0.871 2201 R HN 0.882 nan 8.270 nan 0.000 0.458 2202 E N -0.657 119.405 120.200 -0.229 0.000 2.265 2202 E HA -0.190 4.161 4.350 0.001 0.000 0.196 2202 E C 0.668 177.041 176.600 -0.378 0.000 0.996 2202 E CA 0.984 57.164 56.400 -0.368 0.000 0.832 2202 E CB -0.167 29.169 29.700 -0.606 0.000 0.756 2202 E HN 0.385 nan 8.360 nan 0.000 0.491 2203 F N 0.517 120.519 119.950 0.087 0.000 2.721 2203 F HA 0.330 4.857 4.527 0.001 0.000 0.301 2203 F C 1.767 177.656 175.800 0.148 0.000 1.096 2203 F CA -0.525 57.537 58.000 0.102 0.000 1.308 2203 F CB -0.029 39.026 39.000 0.090 0.000 1.086 2203 F HN -0.055 nan 8.300 nan 0.000 0.587 2204 I N -0.412 120.317 120.570 0.265 0.000 2.099 2204 I HA -0.361 3.810 4.170 0.001 0.000 0.239 2204 I C 2.541 178.867 176.117 0.347 0.000 1.066 2204 I CA 1.866 63.325 61.300 0.264 0.000 1.324 2204 I CB -0.516 37.581 38.000 0.160 0.000 1.037 2204 I HN 0.140 nan 8.210 nan 0.000 0.401 2205 F N 1.962 121.979 119.950 0.112 0.000 2.102 2205 F HA -0.155 4.373 4.527 0.001 0.000 0.298 2205 F C -0.361 175.497 175.800 0.096 0.000 1.105 2205 F CA 1.150 59.205 58.000 0.092 0.000 1.239 2205 F CB -1.015 38.015 39.000 0.050 0.000 0.991 2205 F HN 0.017 nan 8.300 nan 0.000 0.474 2206 P HA -0.213 nan 4.420 nan 0.000 0.215 2206 P C 1.757 179.085 177.300 0.045 0.000 1.157 2206 P CA 1.628 64.731 63.100 0.006 0.000 0.874 2206 P CB -0.095 31.666 31.700 0.101 0.000 0.790 2207 L N -1.694 119.640 121.223 0.185 0.000 2.217 2207 L HA -0.089 4.252 4.340 0.001 0.000 0.211 2207 L C 2.347 179.294 176.870 0.129 0.000 1.107 2207 L CA 0.988 55.947 54.840 0.199 0.000 0.783 2207 L CB -0.641 41.660 42.059 0.404 0.000 0.919 2207 L HN -0.027 nan 8.230 nan 0.000 0.442 2208 I N -0.392 120.344 120.570 0.277 0.000 2.252 2208 I HA -0.262 3.909 4.170 0.001 0.000 0.245 2208 I C 2.723 178.908 176.117 0.114 0.000 1.102 2208 I CA 1.124 62.601 61.300 0.295 0.000 1.385 2208 I CB -0.288 37.961 38.000 0.415 0.000 1.064 2208 I HN 0.234 nan 8.210 nan 0.000 0.414 2209 R N 0.863 121.399 120.500 0.060 0.000 2.091 2209 R HA -0.153 4.188 4.340 0.001 0.000 0.238 2209 R C 2.462 178.673 176.300 -0.149 0.000 1.136 2209 R CA 1.546 57.613 56.100 -0.056 0.000 0.959 2209 R CB -0.521 29.669 30.300 -0.183 0.000 0.856 2209 R HN 0.361 nan 8.270 nan 0.000 0.437 2210 A N 1.459 124.120 122.820 -0.265 0.000 1.902 2210 A HA -0.135 4.186 4.320 0.001 0.000 0.217 2210 A C 2.424 179.693 177.584 -0.525 0.000 1.181 2210 A CA 1.735 53.457 52.037 -0.525 0.000 0.623 2210 A CB -0.652 17.788 19.000 -0.933 0.000 0.818 2210 A HN 0.402 nan 8.150 nan 0.000 0.443 2211 A N -0.070 122.528 122.820 -0.370 0.000 1.908 2211 A HA -0.066 4.255 4.320 0.001 0.000 0.218 2211 A C 2.313 179.867 177.584 -0.050 0.000 1.181 2211 A CA 2.482 54.421 52.037 -0.163 0.000 0.627 2211 A CB -1.255 17.554 19.000 -0.318 0.000 0.818 2211 A HN 1.172 nan 8.150 nan 0.000 0.445 2212 V N -2.913 116.998 119.914 -0.005 0.000 2.719 2212 V HA 0.135 4.256 4.120 0.001 0.000 0.252 2212 V C 2.441 178.594 176.094 0.098 0.000 1.065 2212 V CA 1.486 63.821 62.300 0.058 0.000 1.086 2212 V CB -1.214 30.627 31.823 0.029 0.000 0.700 2212 V HN 0.490 nan 8.190 nan 0.000 0.467 2213 A N 0.461 123.287 122.820 0.011 0.000 1.929 2213 A HA 0.001 4.321 4.320 0.001 0.000 0.216 2213 A C 2.326 179.969 177.584 0.098 0.000 1.176 2213 A CA 1.907 53.974 52.037 0.051 0.000 0.628 2213 A CB -0.633 18.325 19.000 -0.069 0.000 0.816 2213 A HN 0.412 nan 8.150 nan 0.000 0.444 2214 V N -0.864 119.025 119.914 -0.042 0.000 2.323 2214 V HA 0.272 4.393 4.120 0.001 0.000 0.244 2214 V C 1.322 177.309 176.094 -0.179 0.000 1.041 2214 V CA 1.421 63.685 62.300 -0.060 0.000 1.025 2214 V CB -1.095 30.686 31.823 -0.069 0.000 0.656 2214 V HN 1.227 nan 8.190 nan 0.000 0.451 2215 G N -0.336 108.272 108.800 -0.321 0.000 3.400 2215 G HA2 0.110 4.070 3.960 0.001 0.000 0.679 2215 G HA3 0.110 4.070 3.960 0.001 0.000 0.679 2215 G C -0.775 173.905 174.900 -0.367 0.000 1.239 2215 G CA -0.639 43.953 45.100 -0.847 0.000 1.049 2215 G HN 1.016 nan 8.290 nan 0.000 0.539 2216 C N 0.334 119.537 119.300 -0.161 0.000 3.323 2216 C HA 0.878 5.339 4.460 0.001 0.000 0.324 2216 C C 0.541 175.617 174.990 0.143 0.000 1.428 2216 C CA -0.524 58.506 59.018 0.020 0.000 1.368 2216 C CB 1.903 29.714 27.740 0.117 0.000 1.731 2216 C HN 0.634 nan 8.230 nan 0.000 0.455 2217 D N 0.300 120.747 120.400 0.078 0.000 2.360 2217 D HA 0.395 5.036 4.640 0.001 0.000 0.210 2217 D C 0.760 176.891 176.300 -0.282 0.000 1.047 2217 D CA 1.275 55.305 54.000 0.049 0.000 0.854 2217 D CB 0.978 41.813 40.800 0.058 0.000 0.936 2217 D HN 1.095 nan 8.370 nan 0.000 0.514 2218 G N -0.358 108.184 108.800 -0.430 0.000 2.368 2218 G HA2 0.384 4.345 3.960 0.001 0.000 0.293 2218 G HA3 0.384 4.345 3.960 0.001 0.000 0.293 2218 G C -1.811 172.866 174.900 -0.373 0.000 1.467 2218 G CA -0.548 43.982 45.100 -0.950 0.000 0.804 2218 G HN -0.056 nan 8.290 nan 0.000 0.535 2219 V N 0.222 119.946 119.914 -0.318 0.000 2.823 2219 V HA 0.749 4.869 4.120 0.001 0.000 0.312 2219 V C -1.220 174.875 176.094 0.002 0.000 1.072 2219 V CA -0.729 61.590 62.300 0.032 0.000 0.937 2219 V CB 1.944 33.892 31.823 0.209 0.000 1.013 2219 V HN 0.829 nan 8.190 nan 0.000 0.430 2220 F N 5.074 124.955 119.950 -0.115 0.000 2.467 2220 F HA 0.828 5.356 4.527 0.001 0.000 0.336 2220 F C -0.468 175.273 175.800 -0.099 0.000 1.123 2220 F CA -0.694 57.224 58.000 -0.137 0.000 0.964 2220 F CB 1.456 40.357 39.000 -0.165 0.000 1.136 2220 F HN 0.391 nan 8.300 nan 0.000 0.447 2221 M N 5.598 124.966 119.600 -0.388 0.000 2.271 2221 M HA 0.294 4.774 4.480 0.001 0.000 0.285 2221 M C -1.165 174.918 176.300 -0.362 0.000 1.059 2221 M CA -0.551 54.617 55.300 -0.221 0.000 0.940 2221 M CB 2.613 35.141 32.600 -0.119 0.000 1.636 2221 M HN 0.516 nan 8.290 nan 0.000 0.460 2222 E N 1.686 121.771 120.200 -0.192 0.000 2.229 2222 E HA 0.380 4.731 4.350 0.001 0.000 0.283 2222 E C -0.607 175.930 176.600 -0.105 0.000 1.030 2222 E CA -0.205 56.097 56.400 -0.163 0.000 0.836 2222 E CB 1.916 31.588 29.700 -0.047 0.000 1.068 2222 E HN 0.450 nan 8.360 nan 0.000 0.401 2223 T N 2.494 116.987 114.554 -0.101 0.000 2.893 2223 T HA 0.247 4.598 4.350 0.001 0.000 0.293 2223 T C -1.583 173.130 174.700 0.022 0.000 1.027 2223 T CA -0.627 61.447 62.100 -0.043 0.000 0.988 2223 T CB 1.132 69.958 68.868 -0.069 0.000 1.043 2223 T HN 0.437 nan 8.240 nan 0.000 0.461 2224 H N 3.704 122.745 119.070 -0.048 0.000 2.894 2224 H HA 0.357 4.914 4.556 0.001 0.000 0.367 2224 H C -2.444 172.871 175.328 -0.020 0.000 1.144 2224 H CA -1.725 54.306 56.048 -0.027 0.000 1.180 2224 H CB 2.750 32.497 29.762 -0.025 0.000 1.758 2224 H HN 0.326 nan 8.280 nan 0.000 0.541 2225 P HA -0.104 nan 4.420 nan 0.000 0.216 2225 P C -0.652 176.755 177.300 0.179 0.000 1.153 2225 P CA 1.516 64.651 63.100 0.057 0.000 0.858 2225 P CB 0.408 32.084 31.700 -0.041 0.000 0.789 2226 E N -2.485 117.969 120.200 0.422 0.000 2.914 2226 E HA 0.152 4.503 4.350 0.001 0.000 0.246 2226 E C -2.222 174.364 176.600 -0.024 0.000 1.146 2226 E CA -1.614 54.888 56.400 0.170 0.000 0.803 2226 E CB 1.092 30.860 29.700 0.113 0.000 1.409 2226 E HN 0.072 nan 8.360 nan 0.000 0.392 2227 P HA -0.318 nan 4.420 nan 0.000 0.216 2227 P C 1.291 178.467 177.300 -0.208 0.000 1.157 2227 P CA 1.559 64.548 63.100 -0.184 0.000 0.880 2227 P CB 0.187 31.847 31.700 -0.065 0.000 0.791 2228 E N 0.381 120.510 120.200 -0.119 0.000 2.160 2228 E HA -0.212 4.138 4.350 0.001 0.000 0.195 2228 E C 1.323 177.852 176.600 -0.119 0.000 0.991 2228 E CA 1.237 57.580 56.400 -0.096 0.000 0.810 2228 E CB -0.727 28.940 29.700 -0.055 0.000 0.742 2228 E HN 0.278 nan 8.360 nan 0.000 0.466 2229 K N 0.619 120.930 120.400 -0.149 0.000 2.404 2229 K HA 0.268 4.588 4.320 0.001 0.000 0.194 2229 K C 0.428 176.888 176.600 -0.234 0.000 1.023 2229 K CA 0.131 56.336 56.287 -0.136 0.000 1.094 2229 K CB 0.663 33.128 32.500 -0.058 0.000 0.841 2229 K HN 0.137 nan 8.250 nan 0.000 0.523 2230 A N 1.080 123.646 122.820 -0.424 0.000 2.483 2230 A HA 0.081 4.401 4.320 0.001 0.000 0.238 2230 A C 0.861 178.291 177.584 -0.256 0.000 1.070 2230 A CA -0.042 51.692 52.037 -0.505 0.000 0.770 2230 A CB 0.135 18.780 19.000 -0.592 0.000 1.008 2230 A HN 0.291 nan 8.150 nan 0.000 0.497 2231 L N 1.042 122.115 121.223 -0.250 0.000 2.591 2231 L HA 0.167 4.507 4.340 0.001 0.000 0.228 2231 L C 0.846 177.642 176.870 -0.124 0.000 1.133 2231 L CA 0.570 55.210 54.840 -0.334 0.000 0.880 2231 L CB -0.234 41.291 42.059 -0.889 0.000 1.033 2231 L HN 0.654 nan 8.230 nan 0.000 0.450 2232 S N -0.693 114.983 115.700 -0.039 0.000 2.542 2232 S HA 0.209 4.679 4.470 0.001 0.000 0.276 2232 S C -1.050 173.556 174.600 0.009 0.000 1.148 2232 S CA -0.748 57.489 58.200 0.062 0.000 0.886 2232 S CB 0.941 64.254 63.200 0.188 0.000 1.109 2232 S HN 0.304 nan 8.310 nan 0.000 0.458 2233 D N 1.732 122.138 120.400 0.010 0.000 2.686 2233 D HA -0.187 4.454 4.640 0.001 0.000 0.235 2233 D C 0.988 177.253 176.300 -0.059 0.000 1.160 2233 D CA 0.958 54.941 54.000 -0.029 0.000 0.645 2233 D CB -1.202 39.567 40.800 -0.051 0.000 1.039 2233 D HN 0.726 nan 8.370 nan 0.000 0.423 2234 A N -0.544 122.236 122.820 -0.067 0.000 2.178 2234 A HA -0.076 4.244 4.320 0.001 0.000 0.218 2234 A C 2.305 179.848 177.584 -0.069 0.000 1.157 2234 A CA 1.590 53.569 52.037 -0.097 0.000 0.689 2234 A CB 0.150 19.093 19.000 -0.095 0.000 0.787 2234 A HN 0.321 nan 8.150 nan 0.000 0.465 2235 S N -0.887 114.785 115.700 -0.047 0.000 2.427 2235 S HA -0.060 4.411 4.470 0.001 0.000 0.224 2235 S C 2.040 176.619 174.600 -0.035 0.000 1.047 2235 S CA 1.445 59.625 58.200 -0.033 0.000 0.953 2235 S CB -0.145 63.046 63.200 -0.014 0.000 0.824 2235 S HN 0.859 nan 8.310 nan 0.000 0.502 2236 T N -0.337 114.188 114.554 -0.049 0.000 3.037 2236 T HA 0.212 4.562 4.350 0.001 0.000 0.251 2236 T C 0.566 175.228 174.700 -0.063 0.000 1.079 2236 T CA -0.101 61.966 62.100 -0.055 0.000 1.067 2236 T CB -0.154 68.662 68.868 -0.088 0.000 0.948 2236 T HN 0.154 nan 8.240 nan 0.000 0.496 2237 Q N 1.295 121.056 119.800 -0.064 0.000 2.274 2237 Q HA 0.262 4.603 4.340 0.001 0.000 0.280 2237 Q C -0.698 175.286 176.000 -0.026 0.000 1.047 2237 Q CA -0.403 55.374 55.803 -0.044 0.000 0.907 2237 Q CB 0.671 29.397 28.738 -0.021 0.000 1.171 2237 Q HN 0.328 nan 8.270 nan 0.000 0.381 2238 L N 6.693 127.900 121.223 -0.027 0.000 2.410 2238 L HA 0.189 4.530 4.340 0.001 0.000 0.273 2238 L C -2.292 174.571 176.870 -0.011 0.000 1.152 2238 L CA -1.320 53.504 54.840 -0.027 0.000 0.855 2238 L CB 0.556 42.587 42.059 -0.046 0.000 1.129 2238 L HN 0.408 nan 8.230 nan 0.000 0.463 2239 P HA -0.004 nan 4.420 nan 0.000 0.267 2239 P C 1.004 178.300 177.300 -0.006 0.000 1.209 2239 P CA 0.111 63.214 63.100 0.005 0.000 0.763 2239 P CB 0.568 32.265 31.700 -0.005 0.000 0.816 2240 L N 3.154 124.379 121.223 0.004 0.000 2.064 2240 L HA -0.312 4.029 4.340 0.001 0.000 0.216 2240 L C 2.082 178.943 176.870 -0.016 0.000 1.077 2240 L CA 2.589 57.420 54.840 -0.014 0.000 0.766 2240 L CB -0.620 41.427 42.059 -0.020 0.000 0.890 2240 L HN 0.443 nan 8.230 nan 0.000 0.435 2241 S N -1.620 114.073 115.700 -0.011 0.000 2.469 2241 S HA -0.235 4.235 4.470 0.001 0.000 0.238 2241 S C 1.620 176.210 174.600 -0.017 0.000 0.998 2241 S CA 0.962 59.156 58.200 -0.010 0.000 0.957 2241 S CB -0.229 62.968 63.200 -0.005 0.000 0.764 2241 S HN 0.578 nan 8.310 nan 0.000 0.514 2242 Q N -0.235 119.545 119.800 -0.034 0.000 2.392 2242 Q HA 0.293 4.634 4.340 0.001 0.000 0.203 2242 Q C 1.767 177.713 176.000 -0.089 0.000 0.917 2242 Q CA 0.046 55.810 55.803 -0.065 0.000 0.939 2242 Q CB -0.126 28.562 28.738 -0.083 0.000 1.063 2242 Q HN 0.446 nan 8.270 nan 0.000 0.516 2243 L N 1.458 122.647 121.223 -0.056 0.000 2.012 2243 L HA -0.220 4.120 4.340 0.001 0.000 0.210 2243 L C 2.163 179.017 176.870 -0.028 0.000 1.073 2243 L CA 1.955 56.766 54.840 -0.049 0.000 0.748 2243 L CB -0.379 41.672 42.059 -0.013 0.000 0.891 2243 L HN 0.215 nan 8.230 nan 0.000 0.431 2244 E N -0.987 119.231 120.200 0.030 0.000 2.058 2244 E HA -0.222 4.129 4.350 0.001 0.000 0.194 2244 E C 2.074 178.714 176.600 0.066 0.000 0.997 2244 E CA 1.248 57.717 56.400 0.115 0.000 0.801 2244 E CB -0.506 29.292 29.700 0.162 0.000 0.746 2244 E HN 0.619 nan 8.360 nan 0.000 0.450 2245 G N 1.261 110.066 108.800 0.009 0.000 2.440 2245 G HA2 -0.249 3.712 3.960 0.001 0.000 0.218 2245 G HA3 -0.249 3.712 3.960 0.001 0.000 0.218 2245 G C 1.608 176.448 174.900 -0.101 0.000 1.154 2245 G CA 0.940 46.030 45.100 -0.017 0.000 0.767 2245 G HN 0.266 nan 8.290 nan 0.000 0.552 2246 I N 0.359 120.784 120.570 -0.241 0.000 2.315 2246 I HA -0.097 4.074 4.170 0.001 0.000 0.248 2246 I C 2.642 178.672 176.117 -0.145 0.000 1.117 2246 I CA 0.684 61.765 61.300 -0.364 0.000 1.404 2246 I CB -0.185 37.544 38.000 -0.452 0.000 1.071 2246 I HN 0.167 nan 8.210 nan 0.000 0.419 2247 I N 0.625 121.099 120.570 -0.160 0.000 2.179 2247 I HA -0.280 3.891 4.170 0.001 0.000 0.242 2247 I C 2.635 178.592 176.117 -0.265 0.000 1.088 2247 I CA 1.300 62.447 61.300 -0.255 0.000 1.357 2247 I CB -0.316 37.408 38.000 -0.460 0.000 1.051 2247 I HN 0.198 nan 8.210 nan 0.000 0.409 2248 E N 1.594 121.703 120.200 -0.152 0.000 2.085 2248 E HA -0.224 4.126 4.350 0.001 0.000 0.194 2248 E C 2.078 178.707 176.600 0.047 0.000 0.994 2248 E CA 1.847 58.275 56.400 0.047 0.000 0.801 2248 E CB -0.224 29.601 29.700 0.208 0.000 0.743 2248 E HN 0.417 nan 8.360 nan 0.000 0.453 2249 A N 1.195 124.060 122.820 0.075 0.000 1.877 2249 A HA -0.145 4.175 4.320 0.001 0.000 0.216 2249 A C 2.401 180.042 177.584 0.095 0.000 1.186 2249 A CA 1.882 54.010 52.037 0.151 0.000 0.620 2249 A CB -1.047 18.186 19.000 0.388 0.000 0.822 2249 A HN 0.536 nan 8.150 nan 0.000 0.443 2250 I N -2.836 117.770 120.570 0.060 0.000 2.546 2250 I HA -0.109 4.062 4.170 0.001 0.000 0.255 2250 I C 2.050 178.076 176.117 -0.152 0.000 1.163 2250 I CA 1.091 62.382 61.300 -0.015 0.000 1.457 2250 I CB -0.414 37.592 38.000 0.010 0.000 1.092 2250 I HN 0.198 nan 8.210 nan 0.000 0.434 2251 L N 1.102 122.235 121.223 -0.151 0.000 2.093 2251 L HA -0.110 4.230 4.340 0.001 0.000 0.208 2251 L C 2.672 179.490 176.870 -0.087 0.000 1.085 2251 L CA 1.469 56.209 54.840 -0.166 0.000 0.755 2251 L CB -0.513 41.496 42.059 -0.083 0.000 0.904 2251 L HN 0.267 nan 8.230 nan 0.000 0.435 2252 E N 0.331 120.513 120.200 -0.029 0.000 2.072 2252 E HA -0.198 4.153 4.350 0.001 0.000 0.191 2252 E C 2.266 178.848 176.600 -0.031 0.000 0.985 2252 E CA 1.162 57.555 56.400 -0.011 0.000 0.801 2252 E CB -0.058 29.655 29.700 0.020 0.000 0.750 2252 E HN 0.450 nan 8.360 nan 0.000 0.452 2253 I N 0.828 121.379 120.570 -0.032 0.000 2.226 2253 I HA -0.269 3.902 4.170 0.001 0.000 0.245 2253 I C 2.730 178.819 176.117 -0.047 0.000 1.100 2253 I CA 1.018 62.298 61.300 -0.033 0.000 1.374 2253 I CB -0.231 37.754 38.000 -0.024 0.000 1.057 2253 I HN 0.035 nan 8.210 nan 0.000 0.413 2254 R N 1.037 121.488 120.500 -0.082 0.000 2.081 2254 R HA -0.230 4.111 4.340 0.001 0.000 0.235 2254 R C 2.364 178.584 176.300 -0.133 0.000 1.131 2254 R CA 1.630 57.676 56.100 -0.089 0.000 0.960 2254 R CB -0.270 29.895 30.300 -0.225 0.000 0.856 2254 R HN 0.253 nan 8.270 nan 0.000 0.436 2255 E N 0.307 120.439 120.200 -0.113 0.000 2.070 2255 E HA -0.169 4.182 4.350 0.001 0.000 0.197 2255 E C 1.858 178.384 176.600 -0.122 0.000 1.004 2255 E CA 1.853 58.191 56.400 -0.104 0.000 0.805 2255 E CB -0.015 29.648 29.700 -0.061 0.000 0.744 2255 E HN 0.296 nan 8.360 nan 0.000 0.451 2256 V N 0.899 120.760 119.914 -0.089 0.000 2.346 2256 V HA -0.138 3.982 4.120 0.001 0.000 0.244 2256 V C 2.544 178.596 176.094 -0.070 0.000 1.037 2256 V CA 1.618 63.880 62.300 -0.063 0.000 1.029 2256 V CB -0.780 31.035 31.823 -0.014 0.000 0.663 2256 V HN 0.328 nan 8.190 nan 0.000 0.454 2257 A N 0.926 123.697 122.820 -0.080 0.000 1.969 2257 A HA -0.160 4.161 4.320 0.001 0.000 0.218 2257 A C 2.498 179.797 177.584 -0.475 0.000 1.169 2257 A CA 1.801 53.802 52.037 -0.059 0.000 0.635 2257 A CB -0.723 18.305 19.000 0.046 0.000 0.810 2257 A HN 0.671 nan 8.150 nan 0.000 0.445 2258 S N 0.455 115.636 115.700 -0.864 0.000 2.420 2258 S HA -0.279 4.192 4.470 0.001 0.000 0.237 2258 S C 1.837 175.953 174.600 -0.806 0.000 1.023 2258 S CA 1.689 59.006 58.200 -1.472 0.000 0.991 2258 S CB -0.471 62.304 63.200 -0.708 0.000 0.792 2258 S HN 0.674 nan 8.310 nan 0.000 0.488 2259 K N 0.509 120.563 120.400 -0.576 0.000 2.211 2259 K HA -0.135 4.185 4.320 0.001 0.000 0.204 2259 K C 0.898 177.108 176.600 -0.650 0.000 1.047 2259 K CA 1.417 57.338 56.287 -0.609 0.000 0.935 2259 K CB -0.239 31.787 32.500 -0.789 0.000 0.728 2259 K HN 0.646 nan 8.250 nan 0.000 0.452 2260 Y N -0.764 119.426 120.300 -0.184 0.000 2.458 2260 Y HA 0.127 4.678 4.550 0.001 0.000 0.256 2260 Y C -0.252 175.698 175.900 0.085 0.000 1.159 2260 Y CA -0.980 57.091 58.100 -0.048 0.000 1.261 2260 Y CB 0.214 38.657 38.460 -0.029 0.000 1.119 2260 Y HN -0.131 nan 8.280 nan 0.000 0.524 2261 Y N 2.198 122.540 120.300 0.070 0.000 2.632 2261 Y HA 0.072 4.623 4.550 0.001 0.000 0.329 2261 Y C 0.679 176.597 175.900 0.030 0.000 1.174 2261 Y CA -1.057 57.070 58.100 0.045 0.000 1.469 2261 Y CB -0.175 38.299 38.460 0.023 0.000 1.242 2261 Y HN 0.125 nan 8.280 nan 0.000 0.540 2262 E N 0.782 121.089 120.200 0.179 0.000 2.398 2262 E HA 0.100 4.451 4.350 0.001 0.000 0.263 2262 E C -0.085 176.555 176.600 0.067 0.000 1.046 2262 E CA 0.012 56.469 56.400 0.095 0.000 0.908 2262 E CB 0.261 29.996 29.700 0.058 0.000 0.963 2262 E HN 0.424 nan 8.360 nan 0.000 0.431 2263 T N 4.076 118.658 114.554 0.046 0.000 2.784 2263 T HA 0.134 4.485 4.350 0.001 0.000 0.291 2263 T C 0.920 175.624 174.700 0.007 0.000 0.942 2263 T CA -0.062 62.055 62.100 0.029 0.000 1.161 2263 T CB -0.352 68.529 68.868 0.022 0.000 0.885 2263 T HN 0.540 nan 8.240 nan 0.000 0.534 2264 I N 0.000 120.567 120.570 -0.005 0.000 2.984 2264 I HA 0.000 4.170 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.279 61.300 -0.034 0.000 1.566 2264 I CB 0.000 37.986 38.000 -0.024 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494