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 2nws_1_B DATA FIRST_RESID 2003 DATA SEQUENCE KFLVIAGPNA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCRQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATHSVQLPGG LGDKSGGMRE 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 0.000 176.686 176.600 0.143 0.000 0.988 2003 K CA 0.000 56.361 56.287 0.124 0.000 0.838 2003 K CB 0.000 32.571 32.500 0.118 0.000 1.064 2004 F N 1.663 121.623 119.950 0.016 0.000 2.602 2004 F HA 0.163 4.691 4.527 0.001 0.000 0.385 2004 F C -0.138 175.621 175.800 -0.069 0.000 1.063 2004 F CA -0.299 57.695 58.000 -0.010 0.000 1.233 2004 F CB 0.462 39.449 39.000 -0.022 0.000 1.067 2004 F HN 0.404 nan 8.300 nan 0.000 0.564 2005 L N 6.869 127.695 121.223 -0.663 0.000 2.312 2005 L HA 0.508 4.849 4.340 0.001 0.000 0.281 2005 L C -1.077 175.377 176.870 -0.694 0.000 1.070 2005 L CA -0.306 54.212 54.840 -0.536 0.000 0.805 2005 L CB 1.412 43.242 42.059 -0.382 0.000 1.174 2005 L HN 0.389 nan 8.230 nan 0.000 0.434 2006 V N 6.841 126.456 119.914 -0.498 0.000 2.419 2006 V HA 0.394 4.514 4.120 0.001 0.000 0.287 2006 V C -0.101 175.818 176.094 -0.292 0.000 1.017 2006 V CA -0.439 61.604 62.300 -0.429 0.000 0.844 2006 V CB 1.327 32.778 31.823 -0.619 0.000 1.011 2006 V HN 0.544 nan 8.190 nan 0.000 0.429 2007 I N 4.524 124.939 120.570 -0.258 0.000 2.315 2007 I HA 0.780 4.951 4.170 0.001 0.000 0.291 2007 I C 0.408 176.287 176.117 -0.397 0.000 1.006 2007 I CA 0.011 61.136 61.300 -0.291 0.000 1.265 2007 I CB 1.420 39.242 38.000 -0.297 0.000 1.387 2007 I HN 0.689 nan 8.210 nan 0.000 0.475 2008 A N 4.607 127.229 122.820 -0.331 0.000 2.587 2008 A HA 0.997 5.318 4.320 0.001 0.000 0.293 2008 A C -0.414 176.900 177.584 -0.451 0.000 1.087 2008 A CA -0.200 51.627 52.037 -0.350 0.000 0.692 2008 A CB 1.981 20.904 19.000 -0.128 0.000 1.291 2008 A HN 0.921 nan 8.150 nan 0.000 0.407 2009 G N -0.210 108.316 108.800 -0.458 0.000 2.337 2009 G HA2 0.501 4.462 3.960 0.001 0.000 0.298 2009 G HA3 0.501 4.462 3.960 0.001 0.000 0.298 2009 G C -3.569 171.113 174.900 -0.364 0.000 1.335 2009 G CA -0.202 44.531 45.100 -0.612 0.000 0.875 2009 G HN 0.741 nan 8.290 nan 0.000 0.579 2010 P HA 0.171 nan 4.420 nan 0.000 0.275 2010 P C 0.542 177.820 177.300 -0.037 0.000 1.227 2010 P CA -0.098 62.965 63.100 -0.062 0.000 0.781 2010 P CB 1.671 33.379 31.700 0.013 0.000 0.906 2011 N N 2.934 121.655 118.700 0.034 0.000 2.021 2011 N HA -0.176 4.565 4.740 0.001 0.000 0.198 2011 N C 0.397 175.973 175.510 0.110 0.000 1.041 2011 N CA 1.833 54.927 53.050 0.072 0.000 0.862 2011 N CB -0.311 38.227 38.487 0.084 0.000 1.048 2011 N HN 0.587 nan 8.380 nan 0.000 0.427 2012 A N -0.649 122.268 122.820 0.161 0.000 2.356 2012 A HA 0.561 4.882 4.320 0.001 0.000 0.323 2012 A C -0.456 177.296 177.584 0.280 0.000 1.119 2012 A CA -0.675 51.511 52.037 0.249 0.000 0.790 2012 A CB 0.891 20.133 19.000 0.403 0.000 1.273 2012 A HN 0.272 nan 8.150 nan 0.000 0.452 2013 I N 2.325 123.110 120.570 0.358 0.000 2.270 2013 I HA 0.034 4.204 4.170 0.001 0.000 0.300 2013 I C 0.812 177.238 176.117 0.516 0.000 1.186 2013 I CA 0.231 61.774 61.300 0.405 0.000 1.431 2013 I CB -0.124 38.149 38.000 0.455 0.000 1.485 2013 I HN 0.842 nan 8.210 nan 0.000 0.650 2014 E N 3.074 123.486 120.200 0.353 0.000 2.268 2014 E HA -0.080 4.271 4.350 0.001 0.000 0.195 2014 E C 0.292 177.124 176.600 0.387 0.000 0.995 2014 E CA 0.502 57.061 56.400 0.265 0.000 0.836 2014 E CB 0.085 29.799 29.700 0.025 0.000 0.763 2014 E HN 0.705 nan 8.360 nan 0.000 0.491 2015 S N -0.658 115.246 115.700 0.339 0.000 2.678 2015 S HA 0.024 4.495 4.470 0.001 0.000 0.290 2015 S C 0.131 174.880 174.600 0.248 0.000 1.047 2015 S CA -0.754 57.617 58.200 0.285 0.000 0.851 2015 S CB 0.946 64.238 63.200 0.152 0.000 1.058 2015 S HN 0.213 nan 8.310 nan 0.000 0.451 2016 E N 0.799 121.122 120.200 0.206 0.000 2.409 2016 E HA -0.121 4.230 4.350 0.001 0.000 0.198 2016 E C 1.309 177.941 176.600 0.053 0.000 1.024 2016 E CA 1.127 57.557 56.400 0.050 0.000 0.861 2016 E CB -0.073 29.548 29.700 -0.132 0.000 0.788 2016 E HN 0.772 nan 8.360 nan 0.000 0.521 2017 E N 0.788 121.031 120.200 0.073 0.000 2.028 2017 E HA -0.200 4.151 4.350 0.001 0.000 0.190 2017 E C 2.078 178.707 176.600 0.049 0.000 0.984 2017 E CA 0.983 57.413 56.400 0.050 0.000 0.800 2017 E CB -0.100 29.628 29.700 0.047 0.000 0.758 2017 E HN 0.370 nan 8.360 nan 0.000 0.448 2018 L N 1.204 122.459 121.223 0.055 0.000 2.042 2018 L HA -0.170 4.171 4.340 0.001 0.000 0.210 2018 L C 2.135 179.041 176.870 0.059 0.000 1.076 2018 L CA 1.610 56.460 54.840 0.016 0.000 0.749 2018 L CB -0.418 41.642 42.059 0.001 0.000 0.893 2018 L HN 0.253 nan 8.230 nan 0.000 0.432 2019 L N -1.167 120.135 121.223 0.130 0.000 2.083 2019 L HA -0.227 4.114 4.340 0.001 0.000 0.209 2019 L C 2.522 179.445 176.870 0.089 0.000 1.083 2019 L CA 1.263 56.232 54.840 0.216 0.000 0.752 2019 L CB -0.648 41.532 42.059 0.201 0.000 0.899 2019 L HN 0.352 nan 8.230 nan 0.000 0.433 2020 L N -0.354 120.917 121.223 0.079 0.000 2.217 2020 L HA -0.162 4.178 4.340 0.001 0.000 0.211 2020 L C 2.671 179.601 176.870 0.100 0.000 1.107 2020 L CA 0.948 55.886 54.840 0.163 0.000 0.783 2020 L CB -0.379 41.760 42.059 0.133 0.000 0.919 2020 L HN 0.245 nan 8.230 nan 0.000 0.442 2021 K N 0.290 120.712 120.400 0.037 0.000 2.007 2021 K HA -0.122 4.198 4.320 0.001 0.000 0.206 2021 K C 2.033 178.598 176.600 -0.060 0.000 1.047 2021 K CA 1.296 57.575 56.287 -0.013 0.000 0.937 2021 K CB 0.057 32.542 32.500 -0.025 0.000 0.718 2021 K HN 0.038 nan 8.250 nan 0.000 0.438 2022 V N 0.859 120.765 119.914 -0.012 0.000 2.343 2022 V HA -0.176 3.945 4.120 0.001 0.000 0.247 2022 V C 2.405 178.494 176.094 -0.008 0.000 1.051 2022 V CA 2.108 64.420 62.300 0.021 0.000 1.036 2022 V CB -0.936 30.957 31.823 0.117 0.000 0.654 2022 V HN 0.608 nan 8.190 nan 0.000 0.451 2023 G N -0.471 108.281 108.800 -0.079 0.000 2.432 2023 G HA2 -0.303 3.658 3.960 0.001 0.000 0.219 2023 G HA3 -0.303 3.658 3.960 0.001 0.000 0.219 2023 G C 1.513 175.783 174.900 -1.050 0.000 1.135 2023 G CA 0.996 45.807 45.100 -0.482 0.000 0.767 2023 G HN 0.614 nan 8.290 nan 0.000 0.550 2024 E N 0.184 119.827 120.200 -0.927 0.000 2.047 2024 E HA -0.160 4.191 4.350 0.001 0.000 0.191 2024 E C 2.269 178.607 176.600 -0.437 0.000 0.987 2024 E CA 1.375 57.295 56.400 -0.800 0.000 0.799 2024 E CB -0.149 29.378 29.700 -0.287 0.000 0.752 2024 E HN 0.365 nan 8.360 nan 0.000 0.449 2025 E N 0.768 120.802 120.200 -0.278 0.000 2.106 2025 E HA -0.134 4.216 4.350 0.001 0.000 0.192 2025 E C 1.892 178.365 176.600 -0.211 0.000 0.984 2025 E CA 1.282 57.574 56.400 -0.181 0.000 0.806 2025 E CB -0.249 29.387 29.700 -0.107 0.000 0.750 2025 E HN 0.451 nan 8.360 nan 0.000 0.458 2026 I N 0.156 120.585 120.570 -0.234 0.000 2.394 2026 I HA -0.198 3.973 4.170 0.001 0.000 0.251 2026 I C 2.180 178.048 176.117 -0.414 0.000 1.136 2026 I CA 0.952 62.093 61.300 -0.265 0.000 1.425 2026 I CB -0.218 37.739 38.000 -0.071 0.000 1.079 2026 I HN 0.071 nan 8.210 nan 0.000 0.425 2027 K N 1.602 121.768 120.400 -0.390 0.000 2.057 2027 K HA -0.179 4.142 4.320 0.001 0.000 0.206 2027 K C 2.190 178.636 176.600 -0.257 0.000 1.050 2027 K CA 1.452 57.554 56.287 -0.308 0.000 0.935 2027 K CB -0.293 32.019 32.500 -0.314 0.000 0.715 2027 K HN 0.071 nan 8.250 nan 0.000 0.439 2028 R N -0.266 120.090 120.500 -0.240 0.000 2.073 2028 R HA -0.084 4.257 4.340 0.001 0.000 0.234 2028 R C 1.780 177.966 176.300 -0.191 0.000 1.134 2028 R CA 1.375 57.371 56.100 -0.173 0.000 0.952 2028 R CB -0.230 29.988 30.300 -0.136 0.000 0.850 2028 R HN 0.144 nan 8.270 nan 0.000 0.433 2029 L N 0.500 121.580 121.223 -0.238 0.000 2.141 2029 L HA -0.095 4.246 4.340 0.001 0.000 0.209 2029 L C 2.472 179.184 176.870 -0.263 0.000 1.094 2029 L CA 1.602 56.365 54.840 -0.128 0.000 0.763 2029 L CB -1.410 40.584 42.059 -0.109 0.000 0.908 2029 L HN 0.228 nan 8.230 nan 0.000 0.437 2030 S N -0.711 114.592 115.700 -0.663 0.000 2.382 2030 S HA -0.168 4.302 4.470 0.001 0.000 0.228 2030 S C 1.824 176.400 174.600 -0.041 0.000 1.027 2030 S CA 1.114 59.068 58.200 -0.410 0.000 0.991 2030 S CB 0.045 63.054 63.200 -0.317 0.000 0.823 2030 S HN 0.401 nan 8.310 nan 0.000 0.469 2031 E N 0.801 120.942 120.200 -0.098 0.000 2.216 2031 E HA -0.022 4.329 4.350 0.001 0.000 0.192 2031 E C 1.941 178.489 176.600 -0.087 0.000 0.988 2031 E CA 0.676 57.041 56.400 -0.058 0.000 0.834 2031 E CB -0.186 29.472 29.700 -0.070 0.000 0.772 2031 E HN 0.599 nan 8.360 nan 0.000 0.479 2032 K N -0.403 119.889 120.400 -0.179 0.000 2.186 2032 K HA 0.012 4.333 4.320 0.001 0.000 0.202 2032 K C 0.020 176.328 176.600 -0.488 0.000 1.052 2032 K CA 0.405 56.452 56.287 -0.401 0.000 0.965 2032 K CB 0.235 32.352 32.500 -0.639 0.000 0.746 2032 K HN -0.075 nan 8.250 nan 0.000 0.457 2033 F N 1.613 121.643 119.950 0.133 0.000 2.371 2033 F HA 0.312 4.840 4.527 0.001 0.000 0.343 2033 F C 0.511 176.445 175.800 0.223 0.000 1.150 2033 F CA -0.903 57.218 58.000 0.202 0.000 1.220 2033 F CB 1.308 40.501 39.000 0.322 0.000 1.475 2033 F HN -0.244 nan 8.300 nan 0.000 0.521 2034 K N 0.424 120.970 120.400 0.244 0.000 2.360 2034 K HA -0.158 4.163 4.320 0.001 0.000 0.201 2034 K C 1.543 178.259 176.600 0.193 0.000 1.046 2034 K CA 0.751 57.155 56.287 0.194 0.000 0.945 2034 K CB 0.122 32.689 32.500 0.112 0.000 0.750 2034 K HN 0.444 nan 8.250 nan 0.000 0.464 2035 E N 0.548 120.874 120.200 0.210 0.000 2.482 2035 E HA -0.011 4.339 4.350 0.001 0.000 0.196 2035 E C -0.350 176.353 176.600 0.172 0.000 1.047 2035 E CA 0.094 56.594 56.400 0.166 0.000 0.869 2035 E CB 0.404 30.193 29.700 0.148 0.000 0.836 2035 E HN -0.125 nan 8.360 nan 0.000 0.520 2036 V N 0.859 120.895 119.914 0.204 0.000 2.628 2036 V HA 0.295 4.415 4.120 0.001 0.000 0.306 2036 V C -0.332 175.801 176.094 0.065 0.000 1.045 2036 V CA -0.961 61.394 62.300 0.091 0.000 0.905 2036 V CB 1.802 33.575 31.823 -0.084 0.000 0.997 2036 V HN 0.027 nan 8.190 nan 0.000 0.436 2037 E N 3.020 123.193 120.200 -0.045 0.000 2.055 2037 E HA 0.440 4.791 4.350 0.001 0.000 0.274 2037 E C -1.428 175.105 176.600 -0.111 0.000 0.949 2037 E CA -0.468 55.939 56.400 0.012 0.000 0.775 2037 E CB 0.608 30.319 29.700 0.019 0.000 1.097 2037 E HN 0.486 nan 8.360 nan 0.000 0.404 2038 F N 3.068 123.042 119.950 0.040 0.000 2.384 2038 F HA 0.353 4.880 4.527 0.001 0.000 0.338 2038 F C -0.032 175.776 175.800 0.014 0.000 1.103 2038 F CA -0.528 57.483 58.000 0.019 0.000 1.157 2038 F CB 1.425 40.452 39.000 0.045 0.000 1.167 2038 F HN 0.153 nan 8.300 nan 0.000 0.529 2039 V N 4.313 124.311 119.914 0.141 0.000 2.569 2039 V HA 0.208 4.329 4.120 0.001 0.000 0.301 2039 V C -0.807 175.344 176.094 0.095 0.000 1.044 2039 V CA -1.022 61.332 62.300 0.091 0.000 0.874 2039 V CB 1.605 33.414 31.823 -0.023 0.000 1.002 2039 V HN 0.543 nan 8.190 nan 0.000 0.424 2040 F N 5.908 125.865 119.950 0.012 0.000 2.467 2040 F HA 0.505 5.033 4.527 0.001 0.000 0.362 2040 F C 0.287 176.065 175.800 -0.037 0.000 1.090 2040 F CA 0.310 58.302 58.000 -0.013 0.000 1.202 2040 F CB 0.473 39.483 39.000 0.016 0.000 1.113 2040 F HN 0.393 nan 8.300 nan 0.000 0.541 2041 K N 4.823 124.842 120.400 -0.635 0.000 2.316 2041 K HA 0.603 4.923 4.320 0.001 0.000 0.251 2041 K C -1.644 174.644 176.600 -0.519 0.000 0.934 2041 K CA -0.450 55.577 56.287 -0.433 0.000 0.802 2041 K CB 1.835 34.076 32.500 -0.432 0.000 1.171 2041 K HN 0.691 nan 8.250 nan 0.000 0.426 2042 S N 1.322 116.923 115.700 -0.166 0.000 2.556 2042 S HA 0.310 4.780 4.470 0.001 0.000 0.280 2042 S C -1.718 172.935 174.600 0.088 0.000 1.141 2042 S CA -0.527 57.653 58.200 -0.035 0.000 0.883 2042 S CB 1.092 64.331 63.200 0.066 0.000 1.103 2042 S HN 0.497 nan 8.310 nan 0.000 0.453 2043 S N 3.374 119.128 115.700 0.088 0.000 2.475 2043 S HA 0.349 4.819 4.470 0.001 0.000 0.281 2043 S C 0.827 175.497 174.600 0.116 0.000 1.198 2043 S CA -0.565 57.655 58.200 0.034 0.000 1.063 2043 S CB 0.187 63.386 63.200 -0.001 0.000 0.972 2043 S HN 0.674 nan 8.310 nan 0.000 0.486 2044 F N 0.919 120.976 119.950 0.178 0.000 2.661 2044 F HA 0.407 4.935 4.527 0.001 0.000 0.298 2044 F C 0.403 176.285 175.800 0.137 0.000 1.137 2044 F CA -0.316 57.798 58.000 0.190 0.000 1.454 2044 F CB -0.100 39.002 39.000 0.170 0.000 1.103 2044 F HN 0.459 nan 8.300 nan 0.000 0.577 2045 D N 0.123 120.396 120.400 -0.212 0.000 2.878 2045 D HA 0.211 4.852 4.640 0.001 0.000 0.211 2045 D C -1.603 174.510 176.300 -0.310 0.000 1.271 2045 D CA -0.623 53.255 54.000 -0.204 0.000 0.845 2045 D CB 1.187 41.914 40.800 -0.121 0.000 1.679 2045 D HN -0.174 nan 8.370 nan 0.000 0.536 2046 K N 2.958 123.209 120.400 -0.249 0.000 2.257 2046 K HA 0.555 4.876 4.320 0.001 0.000 0.270 2046 K C 0.405 176.842 176.600 -0.271 0.000 1.098 2046 K CA -0.356 55.812 56.287 -0.199 0.000 0.943 2046 K CB 0.996 33.452 32.500 -0.074 0.000 1.316 2046 K HN 0.466 nan 8.250 nan 0.000 0.447 2047 A N 2.870 125.423 122.820 -0.445 0.000 2.208 2047 A HA -0.080 4.241 4.320 0.001 0.000 0.209 2047 A C 0.939 178.431 177.584 -0.152 0.000 1.161 2047 A CA 0.638 52.444 52.037 -0.384 0.000 0.782 2047 A CB -0.533 18.045 19.000 -0.702 0.000 0.816 2047 A HN 0.819 nan 8.150 nan 0.000 0.477 2048 N N -1.225 117.425 118.700 -0.083 0.000 2.416 2048 N HA 0.140 4.881 4.740 0.001 0.000 0.267 2048 N C -0.347 175.196 175.510 0.055 0.000 1.294 2048 N CA -0.750 52.325 53.050 0.041 0.000 0.891 2048 N CB 0.510 39.082 38.487 0.140 0.000 1.238 2048 N HN -0.072 nan 8.380 nan 0.000 0.508 2049 R N 0.564 121.069 120.500 0.007 0.000 2.734 2049 R HA 0.091 4.432 4.340 0.001 0.000 0.266 2049 R C 0.957 177.279 176.300 0.037 0.000 1.044 2049 R CA 0.038 56.153 56.100 0.025 0.000 1.128 2049 R CB 0.569 30.873 30.300 0.007 0.000 1.010 2049 R HN 0.210 nan 8.270 nan 0.000 0.461 2050 S N 0.344 116.072 115.700 0.047 0.000 2.368 2050 S HA -0.092 4.379 4.470 0.001 0.000 0.224 2050 S C 1.026 175.629 174.600 0.005 0.000 1.029 2050 S CA 1.023 59.246 58.200 0.037 0.000 0.988 2050 S CB 0.047 63.273 63.200 0.043 0.000 0.838 2050 S HN 0.633 nan 8.310 nan 0.000 0.462 2051 S N 0.023 115.725 115.700 0.004 0.000 2.525 2051 S HA 0.394 4.865 4.470 0.001 0.000 0.290 2051 S C 0.687 175.253 174.600 -0.056 0.000 1.152 2051 S CA -0.712 57.473 58.200 -0.026 0.000 1.072 2051 S CB 1.007 64.216 63.200 0.015 0.000 1.027 2051 S HN 0.178 nan 8.310 nan 0.000 0.500 2052 I N 4.114 124.592 120.570 -0.154 0.000 2.614 2052 I HA -0.010 4.161 4.170 0.001 0.000 0.258 2052 I C 1.343 177.382 176.117 -0.131 0.000 1.189 2052 I CA 1.756 62.946 61.300 -0.184 0.000 1.462 2052 I CB -0.284 37.542 38.000 -0.290 0.000 1.092 2052 I HN 0.857 nan 8.210 nan 0.000 0.442 2053 H N -1.181 117.891 119.070 0.004 0.000 2.539 2053 H HA 0.289 4.846 4.556 0.001 0.000 0.269 2053 H C 0.969 176.312 175.328 0.025 0.000 0.980 2053 H CA -0.276 55.779 56.048 0.011 0.000 1.152 2053 H CB 0.196 29.965 29.762 0.013 0.000 1.407 2053 H HN 0.195 nan 8.280 nan 0.000 0.564 2054 S N 0.349 116.120 115.700 0.118 0.000 2.669 2054 S HA 0.117 4.588 4.470 0.001 0.000 0.270 2054 S C -0.330 174.334 174.600 0.108 0.000 1.225 2054 S CA -0.808 57.460 58.200 0.114 0.000 0.991 2054 S CB 0.835 64.087 63.200 0.087 0.000 0.987 2054 S HN 0.236 nan 8.310 nan 0.000 0.552 2055 F N 1.663 121.614 119.950 0.001 0.000 2.538 2055 F HA 0.228 4.755 4.527 0.001 0.000 0.371 2055 F C 1.252 177.031 175.800 -0.034 0.000 1.087 2055 F CA 0.312 58.298 58.000 -0.023 0.000 1.250 2055 F CB 0.422 39.409 39.000 -0.021 0.000 1.110 2055 F HN 0.539 nan 8.300 nan 0.000 0.570 2056 R N 3.134 123.075 120.500 -0.931 0.000 2.167 2056 R HA 0.490 4.831 4.340 0.001 0.000 0.195 2056 R C 0.487 176.188 176.300 -0.998 0.000 1.027 2056 R CA 0.150 55.829 56.100 -0.701 0.000 1.114 2056 R CB 0.302 30.368 30.300 -0.390 0.000 1.075 2056 R HN 0.888 nan 8.270 nan 0.000 0.538 2057 G N -0.786 107.201 108.800 -1.356 0.000 2.356 2057 G HA2 -0.044 3.916 3.960 0.001 0.000 0.288 2057 G HA3 -0.044 3.916 3.960 0.001 0.000 0.288 2057 G C -1.156 173.414 174.900 -0.550 0.000 1.302 2057 G CA -0.819 43.797 45.100 -0.807 0.000 0.887 2057 G HN 0.306 nan 8.290 nan 0.000 0.521 2058 H N 0.062 119.142 119.070 0.016 0.000 2.542 2058 H HA 0.515 5.071 4.556 0.001 0.000 0.283 2058 H C 1.139 176.505 175.328 0.064 0.000 1.059 2058 H CA 1.038 57.054 56.048 -0.054 0.000 1.162 2058 H CB 0.729 30.252 29.762 -0.398 0.000 1.539 2058 H HN 1.688 nan 8.280 nan 0.000 0.543 2059 G N 0.233 109.164 108.800 0.219 0.000 2.619 2059 G HA2 -0.216 3.744 3.960 0.001 0.000 0.686 2059 G HA3 -0.216 3.744 3.960 0.001 0.000 0.686 2059 G C 0.073 175.128 174.900 0.258 0.000 1.256 2059 G CA -0.334 44.910 45.100 0.240 0.000 0.826 2059 G HN 0.166 nan 8.290 nan 0.000 0.619 2060 L N 0.369 121.650 121.223 0.096 0.000 2.093 2060 L HA 0.149 4.490 4.340 0.001 0.000 0.208 2060 L C 2.529 179.299 176.870 -0.166 0.000 1.085 2060 L CA 2.834 57.463 54.840 -0.352 0.000 0.755 2060 L CB -0.861 40.944 42.059 -0.423 0.000 0.904 2060 L HN 0.752 nan 8.230 nan 0.000 0.435 2061 E N -1.173 119.040 120.200 0.021 0.000 2.028 2061 E HA -0.289 4.061 4.350 0.001 0.000 0.191 2061 E C 2.148 178.804 176.600 0.094 0.000 0.988 2061 E CA 1.740 58.169 56.400 0.049 0.000 0.799 2061 E CB -0.605 29.147 29.700 0.087 0.000 0.755 2061 E HN 0.609 nan 8.360 nan 0.000 0.447 2062 Y N 1.586 121.916 120.300 0.051 0.000 2.274 2062 Y HA -0.152 4.399 4.550 0.001 0.000 0.290 2062 Y C 2.272 178.227 175.900 0.092 0.000 1.145 2062 Y CA 1.773 59.917 58.100 0.073 0.000 1.203 2062 Y CB -0.399 38.132 38.460 0.118 0.000 0.984 2062 Y HN 0.013 nan 8.280 nan 0.000 0.533 2063 G N -0.809 108.152 108.800 0.268 0.000 2.394 2063 G HA2 -0.192 3.768 3.960 0.001 0.000 0.215 2063 G HA3 -0.192 3.768 3.960 0.001 0.000 0.215 2063 G C 1.628 176.576 174.900 0.080 0.000 1.165 2063 G CA 1.050 46.294 45.100 0.239 0.000 0.784 2063 G HN 0.331 nan 8.290 nan 0.000 0.535 2064 V N 0.709 120.614 119.914 -0.015 0.000 2.515 2064 V HA -0.118 4.003 4.120 0.001 0.000 0.250 2064 V C 2.653 178.722 176.094 -0.043 0.000 1.058 2064 V CA 2.125 64.404 62.300 -0.035 0.000 1.064 2064 V CB -0.266 31.505 31.823 -0.087 0.000 0.675 2064 V HN 0.406 nan 8.190 nan 0.000 0.461 2065 K N 0.325 120.678 120.400 -0.079 0.000 2.025 2065 K HA -0.148 4.172 4.320 0.001 0.000 0.207 2065 K C 2.240 178.748 176.600 -0.153 0.000 1.049 2065 K CA 1.511 57.728 56.287 -0.117 0.000 0.933 2065 K CB -0.330 32.080 32.500 -0.149 0.000 0.714 2065 K HN 0.410 nan 8.250 nan 0.000 0.438 2066 A N 1.315 124.002 122.820 -0.221 0.000 1.902 2066 A HA -0.128 4.193 4.320 0.001 0.000 0.217 2066 A C 2.123 179.660 177.584 -0.077 0.000 1.181 2066 A CA 1.269 53.190 52.037 -0.193 0.000 0.623 2066 A CB -0.610 18.254 19.000 -0.226 0.000 0.818 2066 A HN 0.322 nan 8.150 nan 0.000 0.443 2067 L N -1.196 120.024 121.223 -0.005 0.000 2.046 2067 L HA -0.177 4.164 4.340 0.001 0.000 0.208 2067 L C 2.800 179.656 176.870 -0.025 0.000 1.077 2067 L CA 1.751 56.614 54.840 0.038 0.000 0.747 2067 L CB -0.449 41.681 42.059 0.119 0.000 0.896 2067 L HN 0.469 nan 8.230 nan 0.000 0.432 2068 R N 0.699 121.178 120.500 -0.036 0.000 2.105 2068 R HA -0.245 4.096 4.340 0.001 0.000 0.239 2068 R C 2.322 178.570 176.300 -0.087 0.000 1.135 2068 R CA 1.727 57.797 56.100 -0.050 0.000 0.967 2068 R CB -0.035 30.236 30.300 -0.049 0.000 0.861 2068 R HN 0.060 nan 8.270 nan 0.000 0.442 2069 K N 0.117 120.450 120.400 -0.112 0.000 2.057 2069 K HA -0.088 4.233 4.320 0.001 0.000 0.207 2069 K C 1.740 178.224 176.600 -0.194 0.000 1.049 2069 K CA 1.754 57.950 56.287 -0.151 0.000 0.931 2069 K CB -0.325 32.085 32.500 -0.150 0.000 0.714 2069 K HN 0.083 nan 8.250 nan 0.000 0.440 2070 V N 1.065 120.876 119.914 -0.171 0.000 2.358 2070 V HA -0.197 3.923 4.120 0.001 0.000 0.246 2070 V C 2.454 178.487 176.094 -0.102 0.000 1.047 2070 V CA 2.106 64.306 62.300 -0.166 0.000 1.035 2070 V CB -0.490 31.076 31.823 -0.429 0.000 0.658 2070 V HN 0.427 nan 8.190 nan 0.000 0.452 2071 K N -0.088 120.260 120.400 -0.087 0.000 2.097 2071 K HA -0.192 4.129 4.320 0.001 0.000 0.206 2071 K C 2.062 178.628 176.600 -0.056 0.000 1.049 2071 K CA 1.672 57.938 56.287 -0.035 0.000 0.933 2071 K CB 0.002 32.495 32.500 -0.012 0.000 0.717 2071 K HN 0.620 nan 8.250 nan 0.000 0.442 2072 E N -0.121 120.015 120.200 -0.106 0.000 2.086 2072 E HA -0.140 4.211 4.350 0.001 0.000 0.190 2072 E C 1.878 178.363 176.600 -0.191 0.000 0.975 2072 E CA 0.687 57.016 56.400 -0.119 0.000 0.813 2072 E CB 0.082 29.713 29.700 -0.114 0.000 0.768 2072 E HN 0.341 nan 8.360 nan 0.000 0.457 2073 E N -0.190 119.810 120.200 -0.334 0.000 2.150 2073 E HA -0.123 4.227 4.350 0.001 0.000 0.193 2073 E C 0.827 177.015 176.600 -0.687 0.000 0.985 2073 E CA 0.910 56.956 56.400 -0.592 0.000 0.814 2073 E CB 0.192 29.355 29.700 -0.895 0.000 0.752 2073 E HN 0.158 nan 8.360 nan 0.000 0.466 2074 F N -1.395 118.495 119.950 -0.100 0.000 2.728 2074 F HA 0.354 4.881 4.527 0.001 0.000 0.314 2074 F C 1.206 176.969 175.800 -0.062 0.000 1.094 2074 F CA 0.302 58.248 58.000 -0.090 0.000 1.217 2074 F CB 0.997 39.923 39.000 -0.124 0.000 1.056 2074 F HN 0.032 nan 8.300 nan 0.000 0.577 2075 G N 1.968 110.808 108.800 0.066 0.000 2.273 2075 G HA2 -0.302 3.659 3.960 0.001 0.000 0.280 2075 G HA3 -0.302 3.659 3.960 0.001 0.000 0.280 2075 G C -0.115 174.833 174.900 0.080 0.000 1.047 2075 G CA 0.028 45.159 45.100 0.052 0.000 0.869 2075 G HN 0.308 nan 8.290 nan 0.000 0.502 2076 L N -0.404 120.877 121.223 0.097 0.000 2.309 2076 L HA 0.441 4.781 4.340 0.001 0.000 0.282 2076 L C 1.123 178.057 176.870 0.107 0.000 1.036 2076 L CA -0.976 53.931 54.840 0.111 0.000 0.806 2076 L CB 1.209 43.340 42.059 0.121 0.000 1.220 2076 L HN 0.042 nan 8.230 nan 0.000 0.429 2077 K N 2.506 122.976 120.400 0.117 0.000 2.336 2077 K HA 0.332 4.653 4.320 0.001 0.000 0.262 2077 K C -0.570 176.109 176.600 0.131 0.000 0.992 2077 K CA -0.232 56.117 56.287 0.103 0.000 0.927 2077 K CB 0.750 33.303 32.500 0.089 0.000 0.956 2077 K HN 0.305 nan 8.250 nan 0.000 0.495 2078 I N 0.589 121.227 120.570 0.114 0.000 2.740 2078 I HA 0.298 4.469 4.170 0.001 0.000 0.303 2078 I C 0.050 176.228 176.117 0.102 0.000 1.044 2078 I CA -0.414 60.974 61.300 0.146 0.000 1.064 2078 I CB 1.876 39.961 38.000 0.142 0.000 1.249 2078 I HN 0.558 nan 8.210 nan 0.000 0.433 2079 T N 2.458 117.073 114.554 0.102 0.000 3.105 2079 T HA 0.530 4.881 4.350 0.001 0.000 0.321 2079 T C -1.049 173.691 174.700 0.067 0.000 1.135 2079 T CA -0.198 61.937 62.100 0.058 0.000 1.053 2079 T CB 1.307 70.179 68.868 0.007 0.000 1.133 2079 T HN 0.861 nan 8.240 nan 0.000 0.463 2080 T N 2.647 117.247 114.554 0.077 0.000 2.843 2080 T HA 0.614 4.965 4.350 0.001 0.000 0.302 2080 T C -1.888 172.818 174.700 0.009 0.000 1.232 2080 T CA -0.708 61.440 62.100 0.080 0.000 1.009 2080 T CB 1.476 70.471 68.868 0.212 0.000 1.254 2080 T HN 0.774 nan 8.240 nan 0.000 0.504 2081 D N 2.570 122.906 120.400 -0.107 0.000 2.193 2081 D HA 0.491 5.132 4.640 0.001 0.000 0.249 2081 D C 0.349 176.338 176.300 -0.518 0.000 1.034 2081 D CA -0.644 53.201 54.000 -0.259 0.000 0.902 2081 D CB 1.021 41.661 40.800 -0.266 0.000 1.182 2081 D HN 0.758 nan 8.370 nan 0.000 0.436 2082 I N -2.150 118.128 120.570 -0.487 0.000 2.822 2082 I HA 0.484 4.654 4.170 0.001 0.000 0.312 2082 I C -0.272 175.362 176.117 -0.805 0.000 1.011 2082 I CA -0.918 60.074 61.300 -0.514 0.000 1.105 2082 I CB 1.633 39.510 38.000 -0.205 0.000 1.291 2082 I HN 0.327 nan 8.210 nan 0.000 0.474 2083 H N 0.019 119.027 119.070 -0.102 0.000 3.457 2083 H HA 0.438 4.995 4.556 0.001 0.000 0.255 2083 H C -0.547 174.753 175.328 -0.046 0.000 1.082 2083 H CA -0.234 55.771 56.048 -0.072 0.000 1.189 2083 H CB 0.825 30.549 29.762 -0.063 0.000 1.511 2083 H HN 0.596 nan 8.280 nan 0.000 0.527 2084 E N -0.360 119.811 120.200 -0.049 0.000 2.383 2084 E HA 0.273 4.624 4.350 0.001 0.000 0.275 2084 E C 0.055 176.574 176.600 -0.136 0.000 0.918 2084 E CA -0.317 56.072 56.400 -0.017 0.000 0.764 2084 E CB 2.421 32.213 29.700 0.154 0.000 1.252 2084 E HN -0.034 nan 8.360 nan 0.000 0.449 2085 S N 1.259 116.972 115.700 0.021 0.000 2.392 2085 S HA -0.180 4.291 4.470 0.001 0.000 0.232 2085 S C 1.576 176.205 174.600 0.048 0.000 1.041 2085 S CA 1.819 60.042 58.200 0.040 0.000 1.026 2085 S CB -0.268 62.996 63.200 0.106 0.000 0.845 2085 S HN 0.713 nan 8.310 nan 0.000 0.465 2086 W N 1.936 123.270 121.300 0.056 0.000 2.392 2086 W HA -0.078 4.582 4.660 0.001 0.000 0.279 2086 W C 1.268 177.816 176.519 0.048 0.000 1.225 2086 W CA 0.805 58.178 57.345 0.047 0.000 1.233 2086 W CB -0.933 28.553 29.460 0.043 0.000 1.122 2086 W HN 0.401 nan 8.180 nan 0.000 0.561 2087 Q N 1.004 120.364 119.800 -0.734 0.000 2.369 2087 Q HA -0.008 4.333 4.340 0.001 0.000 0.206 2087 Q C 2.673 178.532 176.000 -0.236 0.000 0.963 2087 Q CA 1.351 56.753 55.803 -0.669 0.000 0.894 2087 Q CB -0.380 27.876 28.738 -0.803 0.000 0.965 2087 Q HN 0.317 nan 8.270 nan 0.000 0.475 2088 A N 1.899 124.636 122.820 -0.139 0.000 1.873 2088 A HA -0.312 4.009 4.320 0.001 0.000 0.218 2088 A C 1.987 179.558 177.584 -0.021 0.000 1.193 2088 A CA 1.845 53.848 52.037 -0.057 0.000 0.629 2088 A CB -0.622 18.363 19.000 -0.025 0.000 0.826 2088 A HN 0.445 nan 8.150 nan 0.000 0.447 2089 E N -0.426 119.779 120.200 0.008 0.000 2.023 2089 E HA -0.174 4.177 4.350 0.001 0.000 0.196 2089 E C -0.447 176.162 176.600 0.015 0.000 1.003 2089 E CA 1.617 58.032 56.400 0.025 0.000 0.809 2089 E CB -0.642 29.089 29.700 0.052 0.000 0.755 2089 E HN 0.509 nan 8.360 nan 0.000 0.449 2090 P HA -0.128 nan 4.420 nan 0.000 0.217 2090 P C 1.632 178.910 177.300 -0.035 0.000 1.150 2090 P CA 1.059 64.158 63.100 -0.002 0.000 0.832 2090 P CB -0.030 31.679 31.700 0.014 0.000 0.787 2091 V N 0.822 120.701 119.914 -0.058 0.000 2.515 2091 V HA -0.191 3.930 4.120 0.001 0.000 0.250 2091 V C 2.812 178.909 176.094 0.004 0.000 1.058 2091 V CA 1.956 64.235 62.300 -0.035 0.000 1.064 2091 V CB -1.628 30.195 31.823 -0.000 0.000 0.675 2091 V HN 0.106 nan 8.190 nan 0.000 0.461 2092 A N -0.670 122.153 122.820 0.005 0.000 2.070 2092 A HA -0.185 4.135 4.320 0.001 0.000 0.220 2092 A C 2.143 179.737 177.584 0.016 0.000 1.159 2092 A CA 1.336 53.383 52.037 0.016 0.000 0.656 2092 A CB -0.351 18.658 19.000 0.016 0.000 0.800 2092 A HN 0.509 nan 8.150 nan 0.000 0.453 2093 E N -0.305 119.900 120.200 0.009 0.000 2.130 2093 E HA -0.141 4.210 4.350 0.001 0.000 0.196 2093 E C 1.903 178.509 176.600 0.011 0.000 0.998 2093 E CA 1.696 58.100 56.400 0.008 0.000 0.806 2093 E CB -0.181 29.520 29.700 0.001 0.000 0.738 2093 E HN 0.489 nan 8.360 nan 0.000 0.459 2094 V N -0.001 119.922 119.914 0.015 0.000 3.013 2094 V HA 0.207 4.328 4.120 0.001 0.000 0.238 2094 V C 0.938 177.058 176.094 0.044 0.000 1.161 2094 V CA 0.510 62.824 62.300 0.025 0.000 1.170 2094 V CB -0.009 31.828 31.823 0.023 0.000 0.917 2094 V HN 0.083 nan 8.190 nan 0.000 0.478 2095 A N 0.908 123.758 122.820 0.051 0.000 2.492 2095 A HA 0.137 4.457 4.320 0.001 0.000 0.254 2095 A C 0.958 178.575 177.584 0.054 0.000 1.091 2095 A CA 0.076 52.150 52.037 0.063 0.000 0.768 2095 A CB -0.125 18.915 19.000 0.067 0.000 1.028 2095 A HN 0.439 nan 8.150 nan 0.000 0.498 2096 D N 1.617 122.052 120.400 0.059 0.000 2.213 2096 D HA 0.059 4.700 4.640 0.001 0.000 0.205 2096 D C 0.213 176.552 176.300 0.064 0.000 0.961 2096 D CA 1.373 55.408 54.000 0.059 0.000 0.853 2096 D CB 0.243 41.080 40.800 0.062 0.000 0.967 2096 D HN 0.586 nan 8.370 nan 0.000 0.496 2097 I N 1.519 122.122 120.570 0.055 0.000 2.466 2097 I HA 0.283 4.454 4.170 0.001 0.000 0.289 2097 I C -0.400 175.742 176.117 0.042 0.000 1.026 2097 I CA -0.625 60.708 61.300 0.055 0.000 1.078 2097 I CB 2.711 40.717 38.000 0.010 0.000 1.249 2097 I HN -0.307 nan 8.210 nan 0.000 0.429 2098 I N 5.555 126.150 120.570 0.043 0.000 2.331 2098 I HA 0.253 4.424 4.170 0.001 0.000 0.292 2098 I C 0.035 176.154 176.117 0.002 0.000 0.998 2098 I CA -0.338 60.974 61.300 0.020 0.000 1.267 2098 I CB 1.414 39.422 38.000 0.014 0.000 1.386 2098 I HN 0.584 nan 8.210 nan 0.000 0.476 2099 Q N 6.254 126.038 119.800 -0.027 0.000 2.257 2099 Q HA 0.432 4.772 4.340 0.001 0.000 0.255 2099 Q C -1.111 174.825 176.000 -0.107 0.000 0.920 2099 Q CA -0.760 55.009 55.803 -0.056 0.000 0.927 2099 Q CB 1.518 30.228 28.738 -0.047 0.000 1.229 2099 Q HN 0.481 nan 8.270 nan 0.000 0.433 2100 I N 6.526 127.038 120.570 -0.097 0.000 2.312 2100 I HA 0.329 4.500 4.170 0.001 0.000 0.290 2100 I C -2.181 173.858 176.117 -0.129 0.000 1.008 2100 I CA -2.563 58.676 61.300 -0.102 0.000 1.226 2100 I CB 0.892 38.859 38.000 -0.055 0.000 1.371 2100 I HN 0.471 nan 8.210 nan 0.000 0.468 2101 P HA 0.047 nan 4.420 nan 0.000 0.267 2101 P C 0.658 177.873 177.300 -0.142 0.000 1.200 2101 P CA 0.144 63.149 63.100 -0.159 0.000 0.772 2101 P CB 0.917 32.572 31.700 -0.075 0.000 0.855 2102 A N 2.886 125.551 122.820 -0.258 0.000 1.873 2102 A HA -0.231 4.090 4.320 0.001 0.000 0.218 2102 A C 1.705 179.315 177.584 0.043 0.000 1.193 2102 A CA 1.802 53.705 52.037 -0.224 0.000 0.629 2102 A CB -1.682 17.097 19.000 -0.370 0.000 0.826 2102 A HN 0.509 nan 8.150 nan 0.000 0.447 2103 F N -0.229 119.759 119.950 0.062 0.000 2.333 2103 F HA -0.023 4.504 4.527 0.001 0.000 0.300 2103 F C 1.680 177.607 175.800 0.211 0.000 1.083 2103 F CA 0.442 58.579 58.000 0.229 0.000 1.395 2103 F CB -0.663 38.417 39.000 0.133 0.000 1.056 2103 F HN 0.111 nan 8.300 nan 0.000 0.529 2104 L N -0.474 120.918 121.223 0.281 0.000 2.667 2104 L HA 0.062 4.403 4.340 0.001 0.000 0.232 2104 L C 2.043 178.994 176.870 0.134 0.000 1.138 2104 L CA -0.010 54.937 54.840 0.179 0.000 0.921 2104 L CB -0.746 41.378 42.059 0.109 0.000 1.180 2104 L HN 0.244 nan 8.230 nan 0.000 0.487 2105 C N -0.993 118.396 119.300 0.147 0.000 2.409 2105 C HA -0.054 4.407 4.460 0.001 0.000 0.288 2105 C C 2.177 177.227 174.990 0.100 0.000 1.395 2105 C CA 0.083 59.148 59.018 0.079 0.000 1.792 2105 C CB -0.964 26.778 27.740 0.003 0.000 1.847 2105 C HN 0.469 nan 8.230 nan 0.000 0.534 2106 R N 0.098 120.691 120.500 0.155 0.000 2.397 2106 R HA 0.147 4.488 4.340 0.001 0.000 0.241 2106 R C 0.052 176.387 176.300 0.059 0.000 0.914 2106 R CA -0.029 56.133 56.100 0.103 0.000 1.071 2106 R CB -0.075 30.300 30.300 0.125 0.000 1.116 2106 R HN 0.568 nan 8.270 nan 0.000 0.524 2107 Q N 1.474 121.312 119.800 0.063 0.000 2.431 2107 Q HA 0.085 4.425 4.340 0.001 0.000 0.234 2107 Q C 0.784 176.806 176.000 0.036 0.000 1.203 2107 Q CA 0.275 56.104 55.803 0.044 0.000 0.902 2107 Q CB 0.807 29.576 28.738 0.052 0.000 1.455 2107 Q HN 0.071 nan 8.270 nan 0.000 0.515 2108 T N 1.527 116.097 114.554 0.026 0.000 2.620 2108 T HA -0.219 4.131 4.350 0.001 0.000 0.267 2108 T C 0.976 175.700 174.700 0.040 0.000 1.044 2108 T CA 1.939 64.053 62.100 0.025 0.000 1.161 2108 T CB 0.033 68.906 68.868 0.007 0.000 0.862 2108 T HN 0.498 nan 8.240 nan 0.000 0.438 2109 D N 0.678 121.103 120.400 0.042 0.000 2.149 2109 D HA -0.052 4.589 4.640 0.001 0.000 0.198 2109 D C 2.068 178.396 176.300 0.047 0.000 0.990 2109 D CA 0.618 54.650 54.000 0.052 0.000 0.839 2109 D CB -0.468 40.365 40.800 0.056 0.000 0.948 2109 D HN 0.189 nan 8.370 nan 0.000 0.460 2110 L N 0.644 121.889 121.223 0.038 0.000 2.017 2110 L HA -0.113 4.228 4.340 0.001 0.000 0.208 2110 L C 2.289 179.169 176.870 0.017 0.000 1.073 2110 L CA 1.286 56.138 54.840 0.020 0.000 0.745 2110 L CB -0.518 41.549 42.059 0.013 0.000 0.894 2110 L HN -0.003 nan 8.230 nan 0.000 0.432 2111 L N -1.369 119.871 121.223 0.027 0.000 2.017 2111 L HA -0.263 4.078 4.340 0.001 0.000 0.208 2111 L C 2.491 179.388 176.870 0.045 0.000 1.073 2111 L CA 1.443 56.302 54.840 0.031 0.000 0.745 2111 L CB -0.636 41.445 42.059 0.036 0.000 0.894 2111 L HN 0.279 nan 8.230 nan 0.000 0.432 2112 L N -0.582 120.678 121.223 0.061 0.000 2.046 2112 L HA -0.194 4.147 4.340 0.001 0.000 0.208 2112 L C 2.898 179.799 176.870 0.052 0.000 1.077 2112 L CA 1.076 55.962 54.840 0.077 0.000 0.747 2112 L CB -0.785 41.337 42.059 0.106 0.000 0.896 2112 L HN 0.252 nan 8.230 nan 0.000 0.432 2113 A N 0.238 123.085 122.820 0.043 0.000 1.883 2113 A HA -0.229 4.092 4.320 0.001 0.000 0.217 2113 A C 2.555 180.152 177.584 0.021 0.000 1.186 2113 A CA 1.994 54.051 52.037 0.033 0.000 0.624 2113 A CB -0.815 18.201 19.000 0.028 0.000 0.822 2113 A HN 0.406 nan 8.150 nan 0.000 0.444 2114 A N -0.198 122.631 122.820 0.014 0.000 1.877 2114 A HA 0.127 4.448 4.320 0.001 0.000 0.216 2114 A C 2.554 180.151 177.584 0.021 0.000 1.186 2114 A CA 2.365 54.409 52.037 0.011 0.000 0.620 2114 A CB -1.188 17.816 19.000 0.006 0.000 0.822 2114 A HN 1.176 nan 8.150 nan 0.000 0.443 2115 A N -0.311 122.525 122.820 0.027 0.000 1.908 2115 A HA -0.231 4.090 4.320 0.001 0.000 0.218 2115 A C 2.154 179.747 177.584 0.015 0.000 1.181 2115 A CA 2.145 54.197 52.037 0.025 0.000 0.627 2115 A CB -0.522 18.498 19.000 0.034 0.000 0.818 2115 A HN 0.560 nan 8.150 nan 0.000 0.445 2116 K N -0.299 120.110 120.400 0.015 0.000 2.103 2116 K HA -0.171 4.149 4.320 0.001 0.000 0.207 2116 K C 2.026 178.633 176.600 0.010 0.000 1.048 2116 K CA 1.932 58.224 56.287 0.008 0.000 0.930 2116 K CB -0.402 32.107 32.500 0.015 0.000 0.716 2116 K HN 0.665 nan 8.250 nan 0.000 0.444 2117 T N -2.771 111.792 114.554 0.015 0.000 2.996 2117 T HA -0.052 4.299 4.350 0.001 0.000 0.271 2117 T C 1.465 176.174 174.700 0.016 0.000 1.126 2117 T CA 1.347 63.456 62.100 0.016 0.000 1.103 2117 T CB -0.501 68.378 68.868 0.017 0.000 0.870 2117 T HN 0.479 nan 8.240 nan 0.000 0.528 2118 G N 1.141 109.950 108.800 0.014 0.000 2.205 2118 G HA2 -0.260 3.701 3.960 0.001 0.000 0.261 2118 G HA3 -0.260 3.701 3.960 0.001 0.000 0.261 2118 G C 0.401 175.315 174.900 0.023 0.000 0.980 2118 G CA 0.094 45.203 45.100 0.014 0.000 0.632 2118 G HN 0.652 nan 8.290 nan 0.000 0.533 2119 R N 0.670 121.187 120.500 0.029 0.000 2.652 2119 R HA 0.702 5.042 4.340 0.001 0.000 0.271 2119 R C 0.876 177.209 176.300 0.054 0.000 1.129 2119 R CA 0.258 56.383 56.100 0.042 0.000 1.200 2119 R CB -0.095 30.230 30.300 0.043 0.000 1.146 2119 R HN 0.708 nan 8.270 nan 0.000 0.581 2120 A N 0.627 123.496 122.820 0.081 0.000 2.322 2120 A HA 0.460 4.781 4.320 0.001 0.000 0.269 2120 A C -0.368 177.293 177.584 0.128 0.000 1.094 2120 A CA -0.458 51.651 52.037 0.121 0.000 0.807 2120 A CB 0.663 19.792 19.000 0.215 0.000 1.047 2120 A HN 0.317 nan 8.150 nan 0.000 0.487 2121 V N 2.419 122.418 119.914 0.142 0.000 2.540 2121 V HA 0.392 4.513 4.120 0.001 0.000 0.302 2121 V C -0.054 176.153 176.094 0.189 0.000 1.035 2121 V CA -0.781 61.591 62.300 0.120 0.000 0.873 2121 V CB 1.692 33.555 31.823 0.066 0.000 0.992 2121 V HN 0.974 nan 8.190 nan 0.000 0.428 2122 N N 3.116 121.895 118.700 0.130 0.000 2.442 2122 N HA 0.582 5.323 4.740 0.001 0.000 0.274 2122 N C -1.448 174.073 175.510 0.018 0.000 1.002 2122 N CA -0.399 52.721 53.050 0.117 0.000 0.910 2122 N CB 1.922 40.418 38.487 0.015 0.000 1.244 2122 N HN 0.454 nan 8.380 nan 0.000 0.492 2123 V N 3.601 123.523 119.914 0.014 0.000 2.394 2123 V HA 0.299 4.420 4.120 0.001 0.000 0.282 2123 V C 0.150 176.181 176.094 -0.105 0.000 1.031 2123 V CA -0.827 61.447 62.300 -0.043 0.000 0.881 2123 V CB 1.250 33.063 31.823 -0.017 0.000 0.982 2123 V HN 0.576 nan 8.190 nan 0.000 0.451 2124 K N 3.767 124.064 120.400 -0.172 0.000 2.349 2124 K HA 0.186 4.507 4.320 0.001 0.000 0.288 2124 K C 0.078 176.544 176.600 -0.224 0.000 1.058 2124 K CA -0.202 55.932 56.287 -0.255 0.000 0.953 2124 K CB 0.768 33.062 32.500 -0.344 0.000 0.997 2124 K HN 0.647 nan 8.250 nan 0.000 0.477 2125 K N 1.796 122.061 120.400 -0.225 0.000 2.412 2125 K HA 0.071 4.392 4.320 0.001 0.000 0.284 2125 K C 0.322 176.715 176.600 -0.346 0.000 1.046 2125 K CA -0.091 56.054 56.287 -0.236 0.000 0.999 2125 K CB 0.385 32.764 32.500 -0.201 0.000 0.941 2125 K HN 0.698 nan 8.250 nan 0.000 0.474 2126 G N 3.288 111.793 108.800 -0.491 0.000 2.391 2126 G HA2 -0.111 3.850 3.960 0.001 0.000 0.234 2126 G HA3 -0.111 3.850 3.960 0.001 0.000 0.234 2126 G C 0.188 174.612 174.900 -0.792 0.000 1.284 2126 G CA -0.371 44.185 45.100 -0.907 0.000 0.873 2126 G HN 0.821 nan 8.290 nan 0.000 0.549 2127 Q N 0.738 120.234 119.800 -0.507 0.000 2.437 2127 Q HA -0.031 4.310 4.340 0.001 0.000 0.210 2127 Q C 1.651 177.567 176.000 -0.141 0.000 0.972 2127 Q CA 1.282 56.966 55.803 -0.200 0.000 0.903 2127 Q CB -0.137 28.629 28.738 0.047 0.000 0.967 2127 Q HN 0.828 nan 8.270 nan 0.000 0.486 2128 F N -2.712 117.254 119.950 0.026 0.000 2.727 2128 F HA 0.347 4.875 4.527 0.001 0.000 0.302 2128 F C 0.224 176.008 175.800 -0.026 0.000 1.097 2128 F CA -0.805 57.197 58.000 0.004 0.000 1.330 2128 F CB -0.022 38.982 39.000 0.007 0.000 1.084 2128 F HN -0.131 nan 8.300 nan 0.000 0.578 2129 L N 1.708 122.763 121.223 -0.281 0.000 2.357 2129 L HA 0.718 5.059 4.340 0.001 0.000 0.273 2129 L C 0.218 176.952 176.870 -0.227 0.000 1.080 2129 L CA -1.091 53.642 54.840 -0.178 0.000 0.803 2129 L CB 1.204 43.092 42.059 -0.286 0.000 1.174 2129 L HN 0.213 nan 8.230 nan 0.000 0.443 2130 A N 5.030 127.685 122.820 -0.275 0.000 2.304 2130 A HA 0.608 4.929 4.320 0.001 0.000 0.301 2130 A C -1.884 175.289 177.584 -0.684 0.000 1.132 2130 A CA -1.268 50.408 52.037 -0.601 0.000 0.819 2130 A CB 0.189 18.725 19.000 -0.773 0.000 1.094 2130 A HN 0.716 nan 8.150 nan 0.000 0.492 2131 P HA -0.214 nan 4.420 nan 0.000 0.215 2131 P C 0.991 178.253 177.300 -0.063 0.000 1.163 2131 P CA 2.362 65.229 63.100 -0.388 0.000 0.894 2131 P CB -0.159 31.320 31.700 -0.368 0.000 0.791 2132 W N -0.330 121.107 121.300 0.227 0.000 2.421 2132 W HA -0.043 4.618 4.660 0.001 0.000 0.270 2132 W C 1.115 177.688 176.519 0.089 0.000 1.233 2132 W CA 0.723 58.250 57.345 0.302 0.000 1.226 2132 W CB -1.924 27.662 29.460 0.210 0.000 1.121 2132 W HN -0.092 nan 8.180 nan 0.000 0.579 2133 D N 0.892 121.308 120.400 0.027 0.000 2.350 2133 D HA -0.134 4.507 4.640 0.001 0.000 0.216 2133 D C 2.122 178.384 176.300 -0.063 0.000 0.968 2133 D CA 2.009 56.012 54.000 0.005 0.000 0.894 2133 D CB -0.571 40.217 40.800 -0.021 0.000 0.909 2133 D HN 0.403 nan 8.370 nan 0.000 0.520 2134 T N -1.750 112.788 114.554 -0.026 0.000 3.072 2134 T HA -0.068 4.282 4.350 0.001 0.000 0.266 2134 T C 1.723 176.249 174.700 -0.290 0.000 1.127 2134 T CA 0.525 62.608 62.100 -0.027 0.000 1.107 2134 T CB 0.115 69.091 68.868 0.180 0.000 0.910 2134 T HN 0.073 nan 8.240 nan 0.000 0.513 2135 K N 1.584 121.540 120.400 -0.741 0.000 2.063 2135 K HA -0.159 4.161 4.320 0.001 0.000 0.208 2135 K C 2.027 178.286 176.600 -0.568 0.000 1.048 2135 K CA 1.805 57.297 56.287 -1.326 0.000 0.928 2135 K CB -0.354 31.216 32.500 -1.549 0.000 0.713 2135 K HN 0.531 nan 8.250 nan 0.000 0.442 2136 N N -0.272 118.225 118.700 -0.339 0.000 2.244 2136 N HA -0.131 4.609 4.740 0.001 0.000 0.183 2136 N C 1.676 177.109 175.510 -0.129 0.000 1.016 2136 N CA 0.967 53.904 53.050 -0.189 0.000 0.866 2136 N CB 0.118 38.532 38.487 -0.122 0.000 0.980 2136 N HN -0.043 nan 8.380 nan 0.000 0.430 2137 V N 0.634 120.479 119.914 -0.114 0.000 2.261 2137 V HA -0.196 3.924 4.120 0.001 0.000 0.246 2137 V C 2.246 178.317 176.094 -0.039 0.000 1.047 2137 V CA 1.351 63.620 62.300 -0.053 0.000 1.015 2137 V CB -0.529 31.276 31.823 -0.031 0.000 0.642 2137 V HN 0.139 nan 8.190 nan 0.000 0.446 2138 V N 0.174 120.052 119.914 -0.060 0.000 2.332 2138 V HA -0.332 3.788 4.120 0.001 0.000 0.248 2138 V C 2.499 178.587 176.094 -0.009 0.000 1.055 2138 V CA 2.447 64.740 62.300 -0.013 0.000 1.038 2138 V CB -0.668 31.163 31.823 0.013 0.000 0.651 2138 V HN 0.725 nan 8.190 nan 0.000 0.450 2139 E N 0.213 120.382 120.200 -0.052 0.000 2.118 2139 E HA -0.273 4.078 4.350 0.001 0.000 0.195 2139 E C 2.253 178.878 176.600 0.041 0.000 0.992 2139 E CA 1.467 57.858 56.400 -0.015 0.000 0.804 2139 E CB -0.072 29.590 29.700 -0.064 0.000 0.741 2139 E HN 0.590 nan 8.360 nan 0.000 0.458 2140 K N 0.191 120.601 120.400 0.016 0.000 2.026 2140 K HA -0.137 4.183 4.320 0.001 0.000 0.208 2140 K C 2.322 179.004 176.600 0.137 0.000 1.048 2140 K CA 1.377 57.698 56.287 0.057 0.000 0.929 2140 K CB -0.144 32.366 32.500 0.016 0.000 0.713 2140 K HN 0.212 nan 8.250 nan 0.000 0.439 2141 L N 1.120 122.393 121.223 0.083 0.000 2.017 2141 L HA -0.219 4.122 4.340 0.001 0.000 0.208 2141 L C 2.367 179.285 176.870 0.080 0.000 1.073 2141 L CA 1.447 56.332 54.840 0.076 0.000 0.745 2141 L CB -0.354 41.733 42.059 0.047 0.000 0.894 2141 L HN 0.142 nan 8.230 nan 0.000 0.432 2142 K N -0.538 119.909 120.400 0.079 0.000 2.032 2142 K HA -0.240 4.080 4.320 0.001 0.000 0.209 2142 K C 2.083 178.734 176.600 0.084 0.000 1.048 2142 K CA 1.761 58.087 56.287 0.066 0.000 0.927 2142 K CB -0.388 32.151 32.500 0.065 0.000 0.712 2142 K HN 0.085 nan 8.250 nan 0.000 0.441 2143 F N 1.301 121.248 119.950 -0.006 0.000 2.120 2143 F HA -0.161 4.366 4.527 0.001 0.000 0.300 2143 F C 1.894 177.694 175.800 0.000 0.000 1.095 2143 F CA 1.873 59.871 58.000 -0.004 0.000 1.249 2143 F CB -0.498 38.498 39.000 -0.006 0.000 0.995 2143 F HN 0.008 nan 8.300 nan 0.000 0.480 2144 G N -1.332 107.508 108.800 0.067 0.000 2.848 2144 G HA2 0.281 4.242 3.960 0.001 0.000 0.208 2144 G HA3 0.281 4.242 3.960 0.001 0.000 0.208 2144 G C 1.271 176.134 174.900 -0.061 0.000 1.152 2144 G CA 0.344 45.431 45.100 -0.021 0.000 0.789 2144 G HN 1.050 nan 8.290 nan 0.000 0.531 2145 G N -1.502 107.258 108.800 -0.065 0.000 2.141 2145 G HA2 0.126 4.087 3.960 0.001 0.000 0.231 2145 G HA3 0.126 4.087 3.960 0.001 0.000 0.231 2145 G C 0.471 175.361 174.900 -0.017 0.000 0.984 2145 G CA 0.141 45.211 45.100 -0.051 0.000 0.660 2145 G HN 1.301 nan 8.290 nan 0.000 0.525 2146 A N -0.323 122.498 122.820 0.001 0.000 2.388 2146 A HA 0.747 5.068 4.320 0.001 0.000 0.257 2146 A C 1.061 178.645 177.584 -0.000 0.000 1.095 2146 A CA 0.944 52.986 52.037 0.008 0.000 0.791 2146 A CB 0.494 19.506 19.000 0.021 0.000 1.029 2146 A HN 0.388 nan 8.150 nan 0.000 0.489 2147 K N 0.332 120.728 120.400 -0.006 0.000 2.474 2147 K HA 0.125 4.445 4.320 0.001 0.000 0.204 2147 K C 0.092 176.667 176.600 -0.042 0.000 1.220 2147 K CA 0.249 56.527 56.287 -0.016 0.000 0.966 2147 K CB 0.787 33.281 32.500 -0.010 0.000 1.049 2147 K HN 0.781 nan 8.250 nan 0.000 0.554 2148 E N 2.089 122.261 120.200 -0.048 0.000 2.121 2148 E HA 0.293 4.644 4.350 0.001 0.000 0.255 2148 E C -1.245 175.260 176.600 -0.158 0.000 0.906 2148 E CA -0.235 56.091 56.400 -0.123 0.000 0.745 2148 E CB 0.594 30.269 29.700 -0.042 0.000 1.155 2148 E HN 0.092 nan 8.360 nan 0.000 0.424 2149 I N 4.177 124.600 120.570 -0.244 0.000 2.433 2149 I HA 0.351 4.522 4.170 0.001 0.000 0.292 2149 I C -0.944 175.000 176.117 -0.288 0.000 1.001 2149 I CA -0.858 60.348 61.300 -0.156 0.000 1.119 2149 I CB 1.060 39.034 38.000 -0.043 0.000 1.289 2149 I HN 0.445 nan 8.210 nan 0.000 0.438 2150 Y N 5.574 125.883 120.300 0.014 0.000 2.485 2150 Y HA 0.661 5.212 4.550 0.001 0.000 0.345 2150 Y C -0.461 175.437 175.900 -0.004 0.000 0.998 2150 Y CA -0.860 57.242 58.100 0.002 0.000 1.059 2150 Y CB 1.925 40.376 38.460 -0.015 0.000 1.234 2150 Y HN 0.271 nan 8.280 nan 0.000 0.461 2151 L N 2.398 123.717 121.223 0.160 0.000 2.356 2151 L HA 0.551 4.892 4.340 0.001 0.000 0.277 2151 L C -0.777 176.104 176.870 0.017 0.000 0.996 2151 L CA -0.548 54.334 54.840 0.070 0.000 0.822 2151 L CB 2.126 44.235 42.059 0.084 0.000 1.256 2151 L HN 0.654 nan 8.230 nan 0.000 0.413 2152 T N 1.270 115.786 114.554 -0.065 0.000 2.771 2152 T HA 0.229 4.579 4.350 0.001 0.000 0.281 2152 T C -0.305 174.290 174.700 -0.175 0.000 0.982 2152 T CA -0.426 61.591 62.100 -0.137 0.000 0.978 2152 T CB 1.596 70.307 68.868 -0.261 0.000 0.930 2152 T HN 0.413 nan 8.240 nan 0.000 0.447 2153 E N 2.642 122.762 120.200 -0.133 0.000 2.259 2153 E HA 0.286 4.637 4.350 0.001 0.000 0.281 2153 E C 0.482 176.939 176.600 -0.239 0.000 1.037 2153 E CA -0.523 55.794 56.400 -0.138 0.000 0.854 2153 E CB 0.457 30.145 29.700 -0.020 0.000 1.051 2153 E HN 0.614 nan 8.360 nan 0.000 0.409 2154 R N 2.971 123.319 120.500 -0.253 0.000 2.592 2154 R HA 0.487 4.828 4.340 0.001 0.000 0.439 2154 R C 0.061 176.251 176.300 -0.184 0.000 0.995 2154 R CA -0.161 55.773 56.100 -0.277 0.000 1.141 2154 R CB 0.086 30.171 30.300 -0.357 0.000 1.495 2154 R HN 0.653 nan 8.270 nan 0.000 0.579 2155 G N -0.113 108.590 108.800 -0.162 0.000 2.629 2155 G HA2 0.029 3.990 3.960 0.001 0.000 0.686 2155 G HA3 0.029 3.990 3.960 0.001 0.000 0.686 2155 G C -0.954 173.876 174.900 -0.116 0.000 1.232 2155 G CA -0.480 44.548 45.100 -0.120 0.000 0.803 2155 G HN 0.170 nan 8.290 nan 0.000 0.638 2156 T N 1.004 115.509 114.554 -0.082 0.000 2.893 2156 T HA 0.641 4.991 4.350 0.001 0.000 0.293 2156 T C 0.445 175.169 174.700 0.041 0.000 1.027 2156 T CA -0.061 62.007 62.100 -0.053 0.000 0.988 2156 T CB 1.679 70.498 68.868 -0.083 0.000 1.043 2156 T HN 0.873 nan 8.240 nan 0.000 0.461 2157 T N 3.199 117.795 114.554 0.070 0.000 2.822 2157 T HA 0.124 4.475 4.350 0.001 0.000 0.288 2157 T C -0.703 174.104 174.700 0.179 0.000 0.991 2157 T CA 0.587 62.761 62.100 0.122 0.000 1.176 2157 T CB -0.501 68.439 68.868 0.119 0.000 0.951 2157 T HN 0.415 nan 8.240 nan 0.000 0.526 2158 F N 4.180 124.124 119.950 -0.010 0.000 2.691 2158 F HA 0.525 5.052 4.527 0.001 0.000 0.371 2158 F C 0.681 176.451 175.800 -0.050 0.000 1.159 2158 F CA 0.033 58.014 58.000 -0.033 0.000 1.174 2158 F CB -0.138 38.845 39.000 -0.029 0.000 1.419 2158 F HN 0.908 nan 8.300 nan 0.000 0.514 2159 G N 2.820 111.392 108.800 -0.380 0.000 2.562 2159 G HA2 -0.284 3.676 3.960 0.001 0.000 0.250 2159 G HA3 -0.284 3.676 3.960 0.001 0.000 0.250 2159 G C -1.340 173.397 174.900 -0.272 0.000 1.269 2159 G CA -0.288 44.513 45.100 -0.500 0.000 0.919 2159 G HN 0.497 nan 8.290 nan 0.000 0.574 2160 Y N 1.674 121.925 120.300 -0.082 0.000 2.334 2160 Y HA 0.491 5.041 4.550 0.001 0.000 0.328 2160 Y C 1.448 177.350 175.900 0.003 0.000 1.130 2160 Y CA -0.583 57.501 58.100 -0.026 0.000 1.163 2160 Y CB 1.069 39.513 38.460 -0.027 0.000 1.207 2160 Y HN 0.643 nan 8.280 nan 0.000 0.471 2161 N N 1.475 120.302 118.700 0.212 0.000 2.708 2161 N HA -0.326 4.415 4.740 0.001 0.000 0.249 2161 N C -0.749 174.838 175.510 0.129 0.000 1.097 2161 N CA 1.061 54.195 53.050 0.140 0.000 0.710 2161 N CB -1.108 37.444 38.487 0.109 0.000 1.032 2161 N HN 0.872 nan 8.380 nan 0.000 0.551 2162 N N -0.425 118.358 118.700 0.139 0.000 2.331 2162 N HA 0.588 5.329 4.740 0.001 0.000 0.280 2162 N C -1.397 174.219 175.510 0.177 0.000 1.155 2162 N CA -0.541 52.602 53.050 0.154 0.000 0.822 2162 N CB 1.618 40.213 38.487 0.180 0.000 1.619 2162 N HN -0.034 nan 8.380 nan 0.000 0.476 2163 L N 1.876 123.187 121.223 0.147 0.000 2.370 2163 L HA 0.700 5.040 4.340 0.001 0.000 0.266 2163 L C -0.787 176.106 176.870 0.039 0.000 1.002 2163 L CA -0.978 53.923 54.840 0.102 0.000 0.818 2163 L CB 2.109 44.199 42.059 0.053 0.000 1.325 2163 L HN 0.256 nan 8.230 nan 0.000 0.418 2164 V N 2.461 122.347 119.914 -0.046 0.000 2.823 2164 V HA 0.558 4.679 4.120 0.001 0.000 0.312 2164 V C -0.891 175.094 176.094 -0.183 0.000 1.072 2164 V CA -0.514 61.666 62.300 -0.200 0.000 0.937 2164 V CB 2.647 34.170 31.823 -0.500 0.000 1.013 2164 V HN 0.399 nan 8.190 nan 0.000 0.430 2165 V N 4.969 124.762 119.914 -0.203 0.000 2.328 2165 V HA 0.368 4.489 4.120 0.001 0.000 0.278 2165 V C -0.309 175.567 176.094 -0.363 0.000 1.021 2165 V CA -0.489 61.615 62.300 -0.328 0.000 0.838 2165 V CB 1.352 32.890 31.823 -0.476 0.000 0.999 2165 V HN 0.901 nan 8.190 nan 0.000 0.447 2166 D N 4.043 124.260 120.400 -0.304 0.000 2.393 2166 D HA 0.218 4.858 4.640 0.001 0.000 0.232 2166 D C 0.691 176.861 176.300 -0.215 0.000 1.192 2166 D CA -0.277 53.613 54.000 -0.183 0.000 0.882 2166 D CB 0.636 41.351 40.800 -0.143 0.000 1.038 2166 D HN 0.403 nan 8.370 nan 0.000 0.499 2167 F N 2.120 122.022 119.950 -0.080 0.000 2.641 2167 F HA 0.018 4.546 4.527 0.001 0.000 0.298 2167 F C 2.301 178.061 175.800 -0.066 0.000 1.146 2167 F CA 0.370 58.319 58.000 -0.084 0.000 1.464 2167 F CB 0.047 38.983 39.000 -0.108 0.000 1.101 2167 F HN 0.291 nan 8.300 nan 0.000 0.585 2168 R N -0.107 120.440 120.500 0.079 0.000 2.152 2168 R HA -0.152 4.189 4.340 0.001 0.000 0.232 2168 R C 2.493 178.804 176.300 0.018 0.000 1.117 2168 R CA 1.412 57.546 56.100 0.057 0.000 0.981 2168 R CB -0.537 29.806 30.300 0.073 0.000 0.870 2168 R HN 0.364 nan 8.270 nan 0.000 0.451 2169 S N 0.653 116.328 115.700 -0.042 0.000 2.399 2169 S HA -0.125 4.346 4.470 0.001 0.000 0.231 2169 S C 1.879 176.439 174.600 -0.065 0.000 1.022 2169 S CA 0.787 58.941 58.200 -0.078 0.000 0.983 2169 S CB -0.227 62.889 63.200 -0.140 0.000 0.803 2169 S HN 0.061 nan 8.310 nan 0.000 0.480 2170 L N 2.816 124.013 121.223 -0.044 0.000 1.971 2170 L HA -0.003 4.338 4.340 0.001 0.000 0.215 2170 L C -0.285 176.536 176.870 -0.080 0.000 1.072 2170 L CA 2.073 56.888 54.840 -0.042 0.000 0.758 2170 L CB -1.655 40.406 42.059 0.004 0.000 0.889 2170 L HN 0.298 nan 8.230 nan 0.000 0.433 2171 P HA -0.123 nan 4.420 nan 0.000 0.219 2171 P C 2.055 179.262 177.300 -0.155 0.000 1.150 2171 P CA 1.479 64.521 63.100 -0.096 0.000 0.814 2171 P CB 0.114 31.783 31.700 -0.052 0.000 0.787 2172 I N -0.633 119.864 120.570 -0.122 0.000 2.179 2172 I HA -0.208 3.962 4.170 0.001 0.000 0.242 2172 I C 2.763 178.598 176.117 -0.471 0.000 1.088 2172 I CA 1.594 62.790 61.300 -0.174 0.000 1.357 2172 I CB -0.605 37.425 38.000 0.050 0.000 1.051 2172 I HN -0.158 nan 8.210 nan 0.000 0.409 2173 M N 0.081 119.490 119.600 -0.318 0.000 2.296 2173 M HA -0.167 4.314 4.480 0.001 0.000 0.265 2173 M C 2.150 178.096 176.300 -0.589 0.000 1.064 2173 M CA 1.195 56.257 55.300 -0.397 0.000 1.109 2173 M CB -0.304 32.257 32.600 -0.065 0.000 1.396 2173 M HN -0.019 nan 8.290 nan 0.000 0.430 2174 K N 1.105 121.273 120.400 -0.386 0.000 2.360 2174 K HA -0.154 4.166 4.320 0.001 0.000 0.201 2174 K C 1.612 177.997 176.600 -0.359 0.000 1.046 2174 K CA 1.448 57.565 56.287 -0.284 0.000 0.940 2174 K CB -0.189 32.202 32.500 -0.182 0.000 0.748 2174 K HN 0.442 nan 8.250 nan 0.000 0.465 2175 Q N -1.305 118.112 119.800 -0.638 0.000 2.291 2175 Q HA -0.123 4.218 4.340 0.001 0.000 0.205 2175 Q C 0.617 176.463 176.000 -0.256 0.000 0.970 2175 Q CA 1.577 57.068 55.803 -0.520 0.000 0.876 2175 Q CB -0.051 28.235 28.738 -0.754 0.000 0.935 2175 Q HN 0.656 nan 8.270 nan 0.000 0.455 2176 W N -2.289 119.018 121.300 0.012 0.000 2.324 2176 W HA 0.699 5.360 4.660 0.001 0.000 0.316 2176 W C -0.087 176.423 176.519 -0.016 0.000 0.927 2176 W CA -0.205 57.142 57.345 0.003 0.000 1.438 2176 W CB 0.353 29.821 29.460 0.013 0.000 1.085 2176 W HN -0.099 nan 8.180 nan 0.000 0.532 2177 A N 0.747 123.616 122.820 0.082 0.000 2.586 2177 A HA 0.582 4.903 4.320 0.001 0.000 0.291 2177 A C -1.014 176.553 177.584 -0.028 0.000 1.062 2177 A CA -1.244 50.822 52.037 0.047 0.000 0.666 2177 A CB 0.919 19.997 19.000 0.129 0.000 1.281 2177 A HN 0.027 nan 8.150 nan 0.000 0.421 2178 K N 0.396 120.755 120.400 -0.069 0.000 2.326 2178 K HA 0.489 4.810 4.320 0.001 0.000 0.275 2178 K C -0.777 175.866 176.600 0.072 0.000 1.018 2178 K CA -0.190 56.082 56.287 -0.025 0.000 0.962 2178 K CB 1.114 33.556 32.500 -0.096 0.000 0.953 2178 K HN 0.371 nan 8.250 nan 0.000 0.475 2179 V N 4.684 124.636 119.914 0.063 0.000 2.459 2179 V HA 0.349 4.469 4.120 0.001 0.000 0.295 2179 V C -0.163 175.973 176.094 0.070 0.000 1.029 2179 V CA -0.890 61.445 62.300 0.059 0.000 0.874 2179 V CB 1.351 33.177 31.823 0.005 0.000 0.985 2179 V HN 0.580 nan 8.190 nan 0.000 0.438 2180 I N 4.201 124.805 120.570 0.058 0.000 2.530 2180 I HA 0.389 4.559 4.170 0.001 0.000 0.297 2180 I C -0.830 175.321 176.117 0.057 0.000 1.011 2180 I CA -0.824 60.490 61.300 0.023 0.000 1.107 2180 I CB 1.788 39.764 38.000 -0.041 0.000 1.285 2180 I HN 0.693 nan 8.210 nan 0.000 0.436 2181 Y N 4.914 125.209 120.300 -0.010 0.000 2.331 2181 Y HA 0.329 4.880 4.550 0.001 0.000 0.338 2181 Y C -0.065 175.852 175.900 0.029 0.000 0.976 2181 Y CA -0.764 57.336 58.100 -0.000 0.000 1.137 2181 Y CB 0.880 39.384 38.460 0.073 0.000 1.172 2181 Y HN 0.505 nan 8.280 nan 0.000 0.478 2182 D N 5.226 125.181 120.400 -0.742 0.000 2.393 2182 D HA 0.234 4.875 4.640 0.001 0.000 0.232 2182 D C 0.504 176.283 176.300 -0.869 0.000 1.192 2182 D CA 0.283 53.928 54.000 -0.592 0.000 0.882 2182 D CB 1.276 41.702 40.800 -0.623 0.000 1.038 2182 D HN 0.808 nan 8.370 nan 0.000 0.499 2183 A N 3.098 125.614 122.820 -0.508 0.000 2.167 2183 A HA -0.039 4.281 4.320 0.001 0.000 0.214 2183 A C 1.901 179.473 177.584 -0.020 0.000 1.151 2183 A CA 0.893 52.814 52.037 -0.193 0.000 0.735 2183 A CB 0.124 19.247 19.000 0.206 0.000 0.802 2183 A HN 0.547 nan 8.150 nan 0.000 0.467 2184 T N -1.309 113.237 114.554 -0.013 0.000 2.925 2184 T HA 0.017 4.368 4.350 0.001 0.000 0.245 2184 T C 1.655 176.279 174.700 -0.127 0.000 1.025 2184 T CA 1.450 63.528 62.100 -0.037 0.000 1.149 2184 T CB -0.316 68.539 68.868 -0.022 0.000 0.866 2184 T HN 0.667 nan 8.240 nan 0.000 0.437 2185 H N 0.729 119.743 119.070 -0.094 0.000 2.529 2185 H HA 0.235 4.792 4.556 0.001 0.000 0.277 2185 H C 2.401 177.665 175.328 -0.107 0.000 0.999 2185 H CA 0.720 56.700 56.048 -0.113 0.000 1.256 2185 H CB -0.020 29.624 29.762 -0.197 0.000 1.402 2185 H HN 0.162 nan 8.280 nan 0.000 0.566 2186 S N 0.059 115.738 115.700 -0.034 0.000 2.442 2186 S HA -0.098 4.373 4.470 0.001 0.000 0.236 2186 S C 1.952 176.578 174.600 0.043 0.000 1.007 2186 S CA 1.170 59.355 58.200 -0.025 0.000 0.965 2186 S CB -0.078 63.099 63.200 -0.039 0.000 0.773 2186 S HN 0.479 nan 8.310 nan 0.000 0.504 2187 V N 0.136 120.091 119.914 0.069 0.000 3.578 2187 V HA 0.240 4.360 4.120 0.001 0.000 0.290 2187 V C 0.432 176.585 176.094 0.097 0.000 1.376 2187 V CA -0.497 61.873 62.300 0.116 0.000 1.083 2187 V CB -0.848 31.093 31.823 0.198 0.000 0.911 2187 V HN 0.493 nan 8.190 nan 0.000 0.433 2188 Q N 1.334 121.167 119.800 0.054 0.000 2.368 2188 Q HA 0.567 4.907 4.340 0.001 0.000 0.237 2188 Q C -0.654 175.390 176.000 0.073 0.000 0.987 2188 Q CA -0.483 55.349 55.803 0.048 0.000 0.896 2188 Q CB 1.287 30.034 28.738 0.014 0.000 1.241 2188 Q HN 0.505 nan 8.270 nan 0.000 0.485 2189 L N 2.415 123.683 121.223 0.075 0.000 2.297 2189 L HA 0.410 4.751 4.340 0.001 0.000 0.277 2189 L C -2.261 174.660 176.870 0.085 0.000 1.040 2189 L CA -2.427 52.465 54.840 0.087 0.000 0.867 2189 L CB 1.057 43.168 42.059 0.087 0.000 1.244 2189 L HN 0.501 nan 8.230 nan 0.000 0.433 2190 P HA -0.097 nan 4.420 nan 0.000 0.257 2190 P C 1.049 178.406 177.300 0.095 0.000 1.162 2190 P CA 0.843 64.012 63.100 0.115 0.000 0.762 2190 P CB 0.512 32.301 31.700 0.148 0.000 0.753 2191 G N 3.522 112.373 108.800 0.084 0.000 2.269 2191 G HA2 -0.331 3.630 3.960 0.001 0.000 0.277 2191 G HA3 -0.331 3.630 3.960 0.001 0.000 0.277 2191 G C 1.342 176.272 174.900 0.049 0.000 1.008 2191 G CA 0.465 45.601 45.100 0.061 0.000 0.774 2191 G HN 0.713 nan 8.290 nan 0.000 0.511 2192 G N -0.475 108.358 108.800 0.056 0.000 2.442 2192 G HA2 0.004 3.965 3.960 0.001 0.000 0.219 2192 G HA3 0.004 3.965 3.960 0.001 0.000 0.219 2192 G C 1.245 176.169 174.900 0.039 0.000 1.141 2192 G CA 1.091 46.222 45.100 0.051 0.000 0.763 2192 G HN 0.508 nan 8.290 nan 0.000 0.554 2193 L N 1.077 122.321 121.223 0.035 0.000 2.653 2193 L HA 0.316 4.657 4.340 0.001 0.000 0.232 2193 L C 2.004 178.890 176.870 0.025 0.000 1.169 2193 L CA 0.433 55.290 54.840 0.028 0.000 0.951 2193 L CB -0.815 41.260 42.059 0.026 0.000 1.181 2193 L HN 0.436 nan 8.230 nan 0.000 0.460 2194 G N 1.309 110.123 108.800 0.023 0.000 5.426 2194 G HA2 -0.400 3.561 3.960 0.001 0.000 0.297 2194 G HA3 -0.400 3.561 3.960 0.001 0.000 0.297 2194 G C 0.866 175.779 174.900 0.021 0.000 1.422 2194 G CA 0.418 45.528 45.100 0.017 0.000 0.938 2194 G HN 0.444 nan 8.290 nan 0.000 0.754 2195 D N 1.793 122.209 120.400 0.028 0.000 2.340 2195 D HA 0.226 4.867 4.640 0.001 0.000 0.220 2195 D C 0.850 177.173 176.300 0.039 0.000 1.039 2195 D CA 0.949 54.969 54.000 0.034 0.000 0.866 2195 D CB 0.348 41.175 40.800 0.046 0.000 0.913 2195 D HN 0.608 nan 8.370 nan 0.000 0.523 2196 K N -0.794 119.629 120.400 0.037 0.000 2.533 2196 K HA 0.392 4.713 4.320 0.001 0.000 0.284 2196 K C -1.142 175.484 176.600 0.043 0.000 1.025 2196 K CA -0.757 55.555 56.287 0.041 0.000 0.900 2196 K CB 2.191 34.712 32.500 0.036 0.000 1.519 2196 K HN -0.221 nan 8.250 nan 0.000 0.432 2197 S N -0.157 115.570 115.700 0.046 0.000 2.616 2197 S HA 0.512 4.983 4.470 0.001 0.000 0.277 2197 S C 0.123 174.746 174.600 0.038 0.000 1.234 2197 S CA -0.619 57.611 58.200 0.050 0.000 1.028 2197 S CB 1.509 64.744 63.200 0.059 0.000 0.988 2197 S HN 0.706 nan 8.310 nan 0.000 0.522 2198 G N 0.104 108.931 108.800 0.045 0.000 2.945 2198 G HA2 0.789 4.750 3.960 0.001 0.000 0.156 2198 G HA3 0.789 4.750 3.960 0.001 0.000 0.156 2198 G C 0.098 175.023 174.900 0.041 0.000 1.375 2198 G CA -0.282 44.842 45.100 0.041 0.000 1.039 2198 G HN 1.218 nan 8.290 nan 0.000 0.586 2199 G N -2.100 106.735 108.800 0.059 0.000 2.333 2199 G HA2 0.398 4.359 3.960 0.001 0.000 0.330 2199 G HA3 0.398 4.359 3.960 0.001 0.000 0.330 2199 G C -1.168 173.786 174.900 0.090 0.000 1.465 2199 G CA -0.754 44.390 45.100 0.074 0.000 0.996 2199 G HN 0.593 nan 8.290 nan 0.000 0.655 2200 M N 1.347 121.033 119.600 0.144 0.000 2.022 2200 M HA 0.376 4.856 4.480 0.001 0.000 0.298 2200 M C 1.244 177.582 176.300 0.063 0.000 0.909 2200 M CA -0.737 54.635 55.300 0.119 0.000 0.914 2200 M CB 2.069 34.837 32.600 0.280 0.000 1.486 2200 M HN 0.692 nan 8.290 nan 0.000 0.415 2201 R N 2.385 122.883 120.500 -0.004 0.000 2.127 2201 R HA -0.179 4.162 4.340 0.001 0.000 0.238 2201 R C 1.696 177.966 176.300 -0.049 0.000 1.134 2201 R CA 2.364 58.459 56.100 -0.008 0.000 0.975 2201 R CB 0.099 30.386 30.300 -0.021 0.000 0.865 2201 R HN 0.813 nan 8.270 nan 0.000 0.447 2202 E N -0.621 119.457 120.200 -0.204 0.000 2.331 2202 E HA -0.199 4.152 4.350 0.001 0.000 0.199 2202 E C 0.661 177.058 176.600 -0.339 0.000 1.008 2202 E CA 0.979 57.183 56.400 -0.327 0.000 0.843 2202 E CB -0.159 29.220 29.700 -0.536 0.000 0.761 2202 E HN 0.419 nan 8.360 nan 0.000 0.507 2203 F N 0.429 120.433 119.950 0.089 0.000 2.721 2203 F HA 0.328 4.856 4.527 0.001 0.000 0.301 2203 F C 1.814 177.704 175.800 0.150 0.000 1.096 2203 F CA -0.577 57.485 58.000 0.104 0.000 1.308 2203 F CB -0.008 39.047 39.000 0.091 0.000 1.086 2203 F HN -0.068 nan 8.300 nan 0.000 0.587 2204 I N -0.326 120.413 120.570 0.282 0.000 2.099 2204 I HA -0.377 3.794 4.170 0.001 0.000 0.239 2204 I C 2.551 178.881 176.117 0.355 0.000 1.066 2204 I CA 1.907 63.371 61.300 0.274 0.000 1.324 2204 I CB -0.541 37.561 38.000 0.170 0.000 1.037 2204 I HN 0.138 nan 8.210 nan 0.000 0.401 2205 F N 1.898 121.921 119.950 0.121 0.000 2.102 2205 F HA -0.167 4.361 4.527 0.001 0.000 0.298 2205 F C -0.351 175.509 175.800 0.100 0.000 1.105 2205 F CA 1.221 59.281 58.000 0.099 0.000 1.239 2205 F CB -1.024 38.010 39.000 0.057 0.000 0.991 2205 F HN 0.029 nan 8.300 nan 0.000 0.474 2206 P HA -0.205 nan 4.420 nan 0.000 0.215 2206 P C 1.744 179.080 177.300 0.061 0.000 1.157 2206 P CA 1.605 64.719 63.100 0.024 0.000 0.868 2206 P CB -0.092 31.672 31.700 0.108 0.000 0.788 2207 L N -1.590 119.748 121.223 0.192 0.000 2.217 2207 L HA -0.080 4.261 4.340 0.001 0.000 0.211 2207 L C 2.419 179.368 176.870 0.132 0.000 1.107 2207 L CA 0.921 55.883 54.840 0.205 0.000 0.783 2207 L CB -0.576 41.717 42.059 0.391 0.000 0.919 2207 L HN -0.026 nan 8.230 nan 0.000 0.442 2208 I N -0.091 120.646 120.570 0.278 0.000 2.353 2208 I HA -0.259 3.912 4.170 0.001 0.000 0.248 2208 I C 2.760 178.957 176.117 0.133 0.000 1.119 2208 I CA 1.065 62.543 61.300 0.296 0.000 1.417 2208 I CB -0.011 38.245 38.000 0.426 0.000 1.078 2208 I HN 0.222 nan 8.210 nan 0.000 0.421 2209 R N 0.599 121.155 120.500 0.095 0.000 2.096 2209 R HA -0.139 4.202 4.340 0.001 0.000 0.235 2209 R C 2.325 178.553 176.300 -0.119 0.000 1.127 2209 R CA 1.406 57.495 56.100 -0.017 0.000 0.968 2209 R CB -0.510 29.705 30.300 -0.141 0.000 0.861 2209 R HN 0.404 nan 8.270 nan 0.000 0.440 2210 A N 1.496 124.178 122.820 -0.229 0.000 1.902 2210 A HA -0.096 4.224 4.320 0.001 0.000 0.217 2210 A C 2.415 179.725 177.584 -0.458 0.000 1.181 2210 A CA 1.609 53.363 52.037 -0.472 0.000 0.623 2210 A CB -0.562 17.918 19.000 -0.866 0.000 0.818 2210 A HN 0.384 nan 8.150 nan 0.000 0.443 2211 A N -0.009 122.634 122.820 -0.295 0.000 1.908 2211 A HA -0.055 4.265 4.320 0.001 0.000 0.218 2211 A C 2.299 179.862 177.584 -0.036 0.000 1.181 2211 A CA 2.378 54.341 52.037 -0.124 0.000 0.627 2211 A CB -1.218 17.581 19.000 -0.335 0.000 0.818 2211 A HN 1.142 nan 8.150 nan 0.000 0.445 2212 V N -2.857 117.062 119.914 0.007 0.000 2.719 2212 V HA 0.127 4.247 4.120 0.001 0.000 0.252 2212 V C 2.455 178.609 176.094 0.100 0.000 1.065 2212 V CA 1.461 63.801 62.300 0.066 0.000 1.086 2212 V CB -1.250 30.600 31.823 0.045 0.000 0.700 2212 V HN 0.485 nan 8.190 nan 0.000 0.467 2213 A N 0.478 123.309 122.820 0.018 0.000 1.930 2213 A HA -0.012 4.309 4.320 0.001 0.000 0.217 2213 A C 2.326 179.964 177.584 0.090 0.000 1.175 2213 A CA 1.974 54.044 52.037 0.055 0.000 0.627 2213 A CB -0.636 18.325 19.000 -0.065 0.000 0.815 2213 A HN 0.420 nan 8.150 nan 0.000 0.443 2214 V N -0.959 118.926 119.914 -0.048 0.000 2.346 2214 V HA 0.294 4.415 4.120 0.001 0.000 0.244 2214 V C 1.309 177.275 176.094 -0.214 0.000 1.037 2214 V CA 1.383 63.641 62.300 -0.071 0.000 1.029 2214 V CB -1.034 30.748 31.823 -0.068 0.000 0.663 2214 V HN 1.217 nan 8.190 nan 0.000 0.454 2215 G N -0.177 108.407 108.800 -0.361 0.000 3.305 2215 G HA2 0.117 4.078 3.960 0.001 0.000 0.649 2215 G HA3 0.117 4.078 3.960 0.001 0.000 0.649 2215 G C -0.783 173.899 174.900 -0.363 0.000 1.255 2215 G CA -0.633 43.944 45.100 -0.871 0.000 1.137 2215 G HN 1.036 nan 8.290 nan 0.000 0.535 2216 C N 0.498 119.697 119.300 -0.168 0.000 3.241 2216 C HA 0.842 5.303 4.460 0.001 0.000 0.312 2216 C C 0.590 175.659 174.990 0.131 0.000 1.350 2216 C CA -0.608 58.418 59.018 0.014 0.000 1.415 2216 C CB 1.958 29.761 27.740 0.106 0.000 1.770 2216 C HN 0.645 nan 8.230 nan 0.000 0.466 2217 D N 0.492 120.936 120.400 0.074 0.000 2.349 2217 D HA 0.361 5.002 4.640 0.001 0.000 0.215 2217 D C 0.833 176.999 176.300 -0.223 0.000 1.016 2217 D CA 1.459 55.492 54.000 0.054 0.000 0.870 2217 D CB 0.798 41.640 40.800 0.070 0.000 0.917 2217 D HN 1.079 nan 8.370 nan 0.000 0.524 2218 G N -0.483 108.126 108.800 -0.319 0.000 2.466 2218 G HA2 0.401 4.362 3.960 0.001 0.000 0.291 2218 G HA3 0.401 4.362 3.960 0.001 0.000 0.291 2218 G C -1.792 172.924 174.900 -0.307 0.000 1.460 2218 G CA -0.531 44.101 45.100 -0.779 0.000 0.791 2218 G HN -0.053 nan 8.290 nan 0.000 0.505 2219 V N 0.221 119.960 119.914 -0.293 0.000 2.823 2219 V HA 0.740 4.861 4.120 0.001 0.000 0.312 2219 V C -1.270 174.834 176.094 0.017 0.000 1.072 2219 V CA -0.726 61.602 62.300 0.047 0.000 0.937 2219 V CB 1.941 33.902 31.823 0.230 0.000 1.013 2219 V HN 0.805 nan 8.190 nan 0.000 0.430 2220 F N 5.317 125.199 119.950 -0.114 0.000 2.467 2220 F HA 0.829 5.356 4.527 0.001 0.000 0.336 2220 F C -0.416 175.322 175.800 -0.105 0.000 1.123 2220 F CA -0.782 57.135 58.000 -0.138 0.000 0.964 2220 F CB 1.517 40.417 39.000 -0.166 0.000 1.136 2220 F HN 0.511 nan 8.300 nan 0.000 0.447 2221 M N 6.158 125.659 119.600 -0.165 0.000 2.206 2221 M HA 0.342 4.823 4.480 0.001 0.000 0.272 2221 M C -1.768 174.405 176.300 -0.212 0.000 1.012 2221 M CA -0.266 54.993 55.300 -0.069 0.000 0.986 2221 M CB 1.675 34.258 32.600 -0.028 0.000 1.740 2221 M HN 0.646 nan 8.290 nan 0.000 0.472 2222 E N 2.326 122.455 120.200 -0.118 0.000 2.283 2222 E HA 0.412 4.763 4.350 0.001 0.000 0.278 2222 E C -0.726 175.826 176.600 -0.079 0.000 1.027 2222 E CA -0.291 56.027 56.400 -0.137 0.000 0.843 2222 E CB 1.945 31.615 29.700 -0.051 0.000 1.062 2222 E HN 0.547 nan 8.360 nan 0.000 0.401 2223 T N 1.964 116.471 114.554 -0.077 0.000 2.903 2223 T HA 0.270 4.621 4.350 0.001 0.000 0.299 2223 T C -1.716 173.011 174.700 0.045 0.000 1.093 2223 T CA -0.631 61.457 62.100 -0.021 0.000 1.002 2223 T CB 1.264 70.108 68.868 -0.041 0.000 1.127 2223 T HN 0.471 nan 8.240 nan 0.000 0.488 2224 H N 3.129 122.173 119.070 -0.044 0.000 3.029 2224 H HA 0.338 4.895 4.556 0.001 0.000 0.358 2224 H C -2.519 172.797 175.328 -0.021 0.000 1.129 2224 H CA -1.563 54.468 56.048 -0.028 0.000 1.230 2224 H CB 2.625 32.369 29.762 -0.031 0.000 1.827 2224 H HN 0.327 nan 8.280 nan 0.000 0.530 2225 P HA -0.127 nan 4.420 nan 0.000 0.216 2225 P C -0.593 176.814 177.300 0.177 0.000 1.154 2225 P CA 1.591 64.722 63.100 0.053 0.000 0.865 2225 P CB 0.390 32.059 31.700 -0.052 0.000 0.789 2226 E N -2.581 117.873 120.200 0.423 0.000 3.132 2226 E HA 0.151 4.502 4.350 0.001 0.000 0.241 2226 E C -2.196 174.395 176.600 -0.014 0.000 1.196 2226 E CA -1.615 54.894 56.400 0.181 0.000 0.869 2226 E CB 1.059 30.833 29.700 0.123 0.000 1.387 2226 E HN 0.082 nan 8.360 nan 0.000 0.393 2227 P HA -0.303 nan 4.420 nan 0.000 0.217 2227 P C 0.970 178.128 177.300 -0.237 0.000 1.158 2227 P CA 1.643 64.610 63.100 -0.222 0.000 0.887 2227 P CB 0.217 31.868 31.700 -0.081 0.000 0.792 2228 E N 0.076 120.198 120.200 -0.130 0.000 2.219 2228 E HA -0.209 4.142 4.350 0.001 0.000 0.198 2228 E C 1.450 177.977 176.600 -0.122 0.000 0.998 2228 E CA 1.377 57.717 56.400 -0.100 0.000 0.818 2228 E CB -0.868 28.799 29.700 -0.055 0.000 0.741 2228 E HN 0.334 nan 8.360 nan 0.000 0.477 2229 K N 0.496 120.800 120.400 -0.159 0.000 2.393 2229 K HA 0.304 4.625 4.320 0.001 0.000 0.193 2229 K C 0.531 176.993 176.600 -0.229 0.000 1.026 2229 K CA 0.240 56.445 56.287 -0.137 0.000 1.064 2229 K CB 0.441 32.910 32.500 -0.051 0.000 0.833 2229 K HN 0.145 nan 8.250 nan 0.000 0.521 2230 A N 1.318 123.868 122.820 -0.450 0.000 2.561 2230 A HA -0.031 4.290 4.320 0.001 0.000 0.234 2230 A C 0.999 178.447 177.584 -0.228 0.000 1.055 2230 A CA 0.237 51.990 52.037 -0.474 0.000 0.756 2230 A CB 0.052 18.746 19.000 -0.510 0.000 0.986 2230 A HN 0.284 nan 8.150 nan 0.000 0.505 2231 L N 1.176 122.270 121.223 -0.216 0.000 2.492 2231 L HA 0.114 4.455 4.340 0.001 0.000 0.223 2231 L C 1.130 177.967 176.870 -0.056 0.000 1.132 2231 L CA 0.790 55.495 54.840 -0.224 0.000 0.850 2231 L CB -0.185 41.488 42.059 -0.643 0.000 0.966 2231 L HN 0.685 nan 8.230 nan 0.000 0.454 2232 S N -1.317 114.367 115.700 -0.026 0.000 2.579 2232 S HA 0.297 4.768 4.470 0.001 0.000 0.272 2232 S C -0.878 173.718 174.600 -0.006 0.000 1.141 2232 S CA -0.651 57.577 58.200 0.047 0.000 0.843 2232 S CB 1.323 64.608 63.200 0.142 0.000 1.122 2232 S HN 0.255 nan 8.310 nan 0.000 0.468 2233 D N 1.163 121.560 120.400 -0.005 0.000 2.702 2233 D HA -0.181 4.460 4.640 0.001 0.000 0.233 2233 D C 1.064 177.321 176.300 -0.072 0.000 1.164 2233 D CA 1.071 55.041 54.000 -0.049 0.000 0.638 2233 D CB -1.029 39.720 40.800 -0.085 0.000 1.041 2233 D HN 0.650 nan 8.370 nan 0.000 0.422 2234 A N -0.670 122.107 122.820 -0.071 0.000 1.933 2234 A HA -0.165 4.155 4.320 0.001 0.000 0.218 2234 A C 2.347 179.888 177.584 -0.073 0.000 1.175 2234 A CA 1.772 53.750 52.037 -0.098 0.000 0.628 2234 A CB -0.197 18.746 19.000 -0.095 0.000 0.814 2234 A HN 0.331 nan 8.150 nan 0.000 0.444 2235 S N -0.468 115.203 115.700 -0.048 0.000 2.419 2235 S HA -0.103 4.368 4.470 0.001 0.000 0.233 2235 S C 1.827 176.408 174.600 -0.032 0.000 1.016 2235 S CA 1.789 59.971 58.200 -0.031 0.000 0.974 2235 S CB -0.320 62.874 63.200 -0.010 0.000 0.786 2235 S HN 0.889 nan 8.310 nan 0.000 0.492 2236 T N -1.220 113.303 114.554 -0.052 0.000 3.010 2236 T HA 0.254 4.604 4.350 0.001 0.000 0.257 2236 T C 0.382 175.046 174.700 -0.061 0.000 1.020 2236 T CA -0.285 61.782 62.100 -0.055 0.000 0.938 2236 T CB 0.061 68.873 68.868 -0.093 0.000 1.049 2236 T HN 0.178 nan 8.240 nan 0.000 0.522 2237 Q N 1.048 120.808 119.800 -0.065 0.000 2.352 2237 Q HA 0.444 4.785 4.340 0.001 0.000 0.260 2237 Q C -0.945 175.040 176.000 -0.025 0.000 0.976 2237 Q CA -0.532 55.243 55.803 -0.046 0.000 0.881 2237 Q CB 1.207 29.922 28.738 -0.039 0.000 1.235 2237 Q HN 0.273 nan 8.270 nan 0.000 0.419 2238 L N 4.853 126.066 121.223 -0.016 0.000 2.326 2238 L HA 0.316 4.657 4.340 0.001 0.000 0.278 2238 L C -2.347 174.522 176.870 -0.001 0.000 1.092 2238 L CA -1.711 53.119 54.840 -0.016 0.000 0.810 2238 L CB 0.944 42.985 42.059 -0.030 0.000 1.153 2238 L HN 0.401 nan 8.230 nan 0.000 0.439 2239 P HA 0.030 nan 4.420 nan 0.000 0.267 2239 P C 0.947 178.248 177.300 0.001 0.000 1.209 2239 P CA 0.042 63.150 63.100 0.012 0.000 0.763 2239 P CB 0.598 32.300 31.700 0.003 0.000 0.816 2240 L N 2.849 124.078 121.223 0.009 0.000 2.089 2240 L HA -0.293 4.048 4.340 0.001 0.000 0.213 2240 L C 2.082 178.944 176.870 -0.013 0.000 1.079 2240 L CA 2.488 57.322 54.840 -0.009 0.000 0.758 2240 L CB -0.591 41.457 42.059 -0.017 0.000 0.891 2240 L HN 0.457 nan 8.230 nan 0.000 0.433 2241 S N -1.516 114.179 115.700 -0.009 0.000 2.442 2241 S HA -0.237 4.234 4.470 0.001 0.000 0.236 2241 S C 1.643 176.235 174.600 -0.014 0.000 1.007 2241 S CA 0.912 59.107 58.200 -0.008 0.000 0.965 2241 S CB -0.240 62.958 63.200 -0.004 0.000 0.773 2241 S HN 0.572 nan 8.310 nan 0.000 0.504 2242 Q N -0.145 119.638 119.800 -0.028 0.000 2.424 2242 Q HA 0.271 4.612 4.340 0.001 0.000 0.204 2242 Q C 1.789 177.739 176.000 -0.084 0.000 0.933 2242 Q CA 0.064 55.833 55.803 -0.058 0.000 0.929 2242 Q CB -0.167 28.527 28.738 -0.074 0.000 1.037 2242 Q HN 0.433 nan 8.270 nan 0.000 0.511 2243 L N 1.569 122.761 121.223 -0.052 0.000 2.012 2243 L HA -0.231 4.110 4.340 0.001 0.000 0.210 2243 L C 2.159 179.015 176.870 -0.023 0.000 1.073 2243 L CA 1.961 56.775 54.840 -0.044 0.000 0.748 2243 L CB -0.426 41.628 42.059 -0.009 0.000 0.891 2243 L HN 0.217 nan 8.230 nan 0.000 0.431 2244 E N -1.016 119.203 120.200 0.031 0.000 2.038 2244 E HA -0.213 4.138 4.350 0.001 0.000 0.195 2244 E C 2.078 178.717 176.600 0.065 0.000 1.000 2244 E CA 1.205 57.674 56.400 0.115 0.000 0.803 2244 E CB -0.512 29.281 29.700 0.156 0.000 0.750 2244 E HN 0.613 nan 8.360 nan 0.000 0.448 2245 G N 1.189 109.997 108.800 0.012 0.000 2.442 2245 G HA2 -0.245 3.715 3.960 0.001 0.000 0.219 2245 G HA3 -0.245 3.715 3.960 0.001 0.000 0.219 2245 G C 1.590 176.431 174.900 -0.098 0.000 1.141 2245 G CA 0.889 45.984 45.100 -0.009 0.000 0.763 2245 G HN 0.263 nan 8.290 nan 0.000 0.554 2246 I N 0.256 120.675 120.570 -0.252 0.000 2.353 2246 I HA -0.058 4.112 4.170 0.001 0.000 0.248 2246 I C 2.615 178.629 176.117 -0.173 0.000 1.119 2246 I CA 0.566 61.618 61.300 -0.413 0.000 1.417 2246 I CB -0.154 37.520 38.000 -0.544 0.000 1.078 2246 I HN 0.160 nan 8.210 nan 0.000 0.421 2247 I N 0.668 121.134 120.570 -0.173 0.000 2.179 2247 I HA -0.283 3.887 4.170 0.001 0.000 0.242 2247 I C 2.633 178.573 176.117 -0.296 0.000 1.088 2247 I CA 1.329 62.473 61.300 -0.259 0.000 1.357 2247 I CB -0.315 37.430 38.000 -0.426 0.000 1.051 2247 I HN 0.198 nan 8.210 nan 0.000 0.409 2248 E N 1.566 121.637 120.200 -0.215 0.000 2.085 2248 E HA -0.229 4.122 4.350 0.001 0.000 0.194 2248 E C 2.071 178.681 176.600 0.018 0.000 0.994 2248 E CA 1.851 58.239 56.400 -0.020 0.000 0.801 2248 E CB -0.223 29.584 29.700 0.179 0.000 0.743 2248 E HN 0.421 nan 8.360 nan 0.000 0.453 2249 A N 1.187 124.042 122.820 0.059 0.000 1.877 2249 A HA -0.153 4.168 4.320 0.001 0.000 0.216 2249 A C 2.402 180.040 177.584 0.091 0.000 1.186 2249 A CA 1.904 54.029 52.037 0.148 0.000 0.620 2249 A CB -1.056 18.184 19.000 0.401 0.000 0.822 2249 A HN 0.538 nan 8.150 nan 0.000 0.443 2250 I N -2.820 117.782 120.570 0.054 0.000 2.493 2250 I HA -0.121 4.050 4.170 0.001 0.000 0.254 2250 I C 2.068 178.090 176.117 -0.158 0.000 1.160 2250 I CA 1.141 62.430 61.300 -0.018 0.000 1.445 2250 I CB -0.436 37.567 38.000 0.006 0.000 1.086 2250 I HN 0.201 nan 8.210 nan 0.000 0.433 2251 L N 1.066 122.185 121.223 -0.173 0.000 2.093 2251 L HA -0.117 4.224 4.340 0.001 0.000 0.208 2251 L C 2.663 179.471 176.870 -0.104 0.000 1.085 2251 L CA 1.495 56.218 54.840 -0.194 0.000 0.755 2251 L CB -0.503 41.481 42.059 -0.125 0.000 0.904 2251 L HN 0.286 nan 8.230 nan 0.000 0.435 2252 E N 0.347 120.521 120.200 -0.043 0.000 2.047 2252 E HA -0.194 4.157 4.350 0.001 0.000 0.191 2252 E C 2.255 178.835 176.600 -0.034 0.000 0.987 2252 E CA 1.132 57.521 56.400 -0.019 0.000 0.799 2252 E CB -0.052 29.657 29.700 0.014 0.000 0.752 2252 E HN 0.439 nan 8.360 nan 0.000 0.449 2253 I N 0.843 121.395 120.570 -0.031 0.000 2.226 2253 I HA -0.272 3.898 4.170 0.001 0.000 0.245 2253 I C 2.707 178.801 176.117 -0.039 0.000 1.100 2253 I CA 1.029 62.312 61.300 -0.027 0.000 1.374 2253 I CB -0.212 37.779 38.000 -0.016 0.000 1.057 2253 I HN 0.031 nan 8.210 nan 0.000 0.413 2254 R N 0.973 121.427 120.500 -0.076 0.000 2.081 2254 R HA -0.216 4.124 4.340 0.001 0.000 0.235 2254 R C 2.363 178.585 176.300 -0.131 0.000 1.131 2254 R CA 1.530 57.581 56.100 -0.081 0.000 0.960 2254 R CB -0.243 29.925 30.300 -0.221 0.000 0.856 2254 R HN 0.253 nan 8.270 nan 0.000 0.436 2255 E N 0.323 120.454 120.200 -0.116 0.000 2.058 2255 E HA -0.162 4.188 4.350 0.001 0.000 0.194 2255 E C 1.861 178.385 176.600 -0.127 0.000 0.997 2255 E CA 1.767 58.101 56.400 -0.110 0.000 0.801 2255 E CB 0.002 29.662 29.700 -0.067 0.000 0.746 2255 E HN 0.280 nan 8.360 nan 0.000 0.450 2256 V N 1.022 120.882 119.914 -0.090 0.000 2.323 2256 V HA -0.165 3.956 4.120 0.001 0.000 0.244 2256 V C 2.574 178.623 176.094 -0.075 0.000 1.041 2256 V CA 1.655 63.916 62.300 -0.064 0.000 1.025 2256 V CB -0.839 30.977 31.823 -0.010 0.000 0.656 2256 V HN 0.333 nan 8.190 nan 0.000 0.451 2257 A N 0.973 123.747 122.820 -0.077 0.000 1.930 2257 A HA -0.197 4.124 4.320 0.001 0.000 0.217 2257 A C 2.528 179.813 177.584 -0.498 0.000 1.175 2257 A CA 2.051 54.055 52.037 -0.055 0.000 0.627 2257 A CB -0.847 18.198 19.000 0.076 0.000 0.815 2257 A HN 0.690 nan 8.150 nan 0.000 0.443 2258 S N 0.449 115.596 115.700 -0.923 0.000 2.407 2258 S HA -0.320 4.151 4.470 0.001 0.000 0.235 2258 S C 1.853 175.954 174.600 -0.830 0.000 1.036 2258 S CA 1.844 59.138 58.200 -1.510 0.000 1.013 2258 S CB -0.535 62.249 63.200 -0.694 0.000 0.820 2258 S HN 0.677 nan 8.310 nan 0.000 0.476 2259 K N 0.458 120.501 120.400 -0.596 0.000 2.211 2259 K HA -0.142 4.178 4.320 0.001 0.000 0.204 2259 K C 0.834 177.028 176.600 -0.676 0.000 1.047 2259 K CA 1.499 57.405 56.287 -0.635 0.000 0.935 2259 K CB -0.226 31.778 32.500 -0.827 0.000 0.728 2259 K HN 0.677 nan 8.250 nan 0.000 0.452 2260 Y N -0.966 119.233 120.300 -0.169 0.000 2.467 2260 Y HA 0.151 4.702 4.550 0.001 0.000 0.250 2260 Y C -0.335 175.630 175.900 0.107 0.000 1.155 2260 Y CA -1.046 57.037 58.100 -0.030 0.000 1.249 2260 Y CB 0.261 38.712 38.460 -0.014 0.000 1.146 2260 Y HN -0.141 nan 8.280 nan 0.000 0.524 2261 Y N 2.338 122.681 120.300 0.071 0.000 2.632 2261 Y HA 0.063 4.614 4.550 0.001 0.000 0.329 2261 Y C 0.767 176.687 175.900 0.033 0.000 1.174 2261 Y CA -0.964 57.164 58.100 0.047 0.000 1.469 2261 Y CB -0.205 38.270 38.460 0.025 0.000 1.242 2261 Y HN 0.146 nan 8.280 nan 0.000 0.540 2262 E N 0.780 121.087 120.200 0.179 0.000 2.418 2262 E HA 0.096 4.447 4.350 0.001 0.000 0.261 2262 E C 0.001 176.643 176.600 0.069 0.000 1.070 2262 E CA 0.087 56.545 56.400 0.097 0.000 0.931 2262 E CB 0.300 30.034 29.700 0.057 0.000 0.954 2262 E HN 0.442 nan 8.360 nan 0.000 0.439 2263 T N 2.999 117.581 114.554 0.046 0.000 2.884 2263 T HA 0.291 4.642 4.350 0.001 0.000 0.298 2263 T C 0.758 175.463 174.700 0.007 0.000 0.998 2263 T CA -0.182 61.935 62.100 0.029 0.000 1.124 2263 T CB -0.068 68.814 68.868 0.023 0.000 0.931 2263 T HN 0.549 nan 8.240 nan 0.000 0.531 2264 I N 0.000 120.569 120.570 -0.002 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.284 61.300 -0.026 0.000 1.566 2264 I CB 0.000 37.988 38.000 -0.020 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494