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 1fxp_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 ATHSVQXXXX XXXXXXXXRE 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 0.000 176.694 176.600 0.156 0.000 0.988 2003 K CA 0.000 56.363 56.287 0.127 0.000 0.838 2003 K CB 0.000 32.566 32.500 0.110 0.000 1.064 2004 F N 1.554 121.507 119.950 0.005 0.000 2.495 2004 F HA 0.293 4.821 4.527 0.001 0.000 0.365 2004 F C -0.152 175.596 175.800 -0.086 0.000 1.090 2004 F CA -0.683 57.304 58.000 -0.022 0.000 1.235 2004 F CB 0.717 39.697 39.000 -0.033 0.000 1.119 2004 F HN 0.416 nan 8.300 nan 0.000 0.562 2005 L N 6.735 127.584 121.223 -0.624 0.000 2.292 2005 L HA 0.519 4.860 4.340 0.001 0.000 0.284 2005 L C -1.159 175.329 176.870 -0.636 0.000 1.065 2005 L CA -0.321 54.216 54.840 -0.505 0.000 0.806 2005 L CB 1.365 43.199 42.059 -0.375 0.000 1.175 2005 L HN 0.375 nan 8.230 nan 0.000 0.431 2006 V N 6.971 126.587 119.914 -0.496 0.000 2.380 2006 V HA 0.415 4.536 4.120 0.001 0.000 0.286 2006 V C -0.136 175.780 176.094 -0.296 0.000 1.015 2006 V CA -0.416 61.629 62.300 -0.426 0.000 0.834 2006 V CB 1.387 32.852 31.823 -0.597 0.000 1.009 2006 V HN 0.556 nan 8.190 nan 0.000 0.428 2007 I N 4.596 125.008 120.570 -0.263 0.000 2.321 2007 I HA 0.824 4.995 4.170 0.001 0.000 0.291 2007 I C 0.331 176.176 176.117 -0.452 0.000 0.998 2007 I CA -0.139 60.981 61.300 -0.301 0.000 1.227 2007 I CB 1.495 39.330 38.000 -0.274 0.000 1.368 2007 I HN 0.679 nan 8.210 nan 0.000 0.466 2008 A N 4.557 127.149 122.820 -0.379 0.000 2.609 2008 A HA 1.012 5.332 4.320 0.001 0.000 0.291 2008 A C -0.439 176.831 177.584 -0.523 0.000 1.096 2008 A CA -0.267 51.517 52.037 -0.420 0.000 0.684 2008 A CB 2.018 20.897 19.000 -0.201 0.000 1.282 2008 A HN 0.941 nan 8.150 nan 0.000 0.412 2009 G N -0.400 108.093 108.800 -0.511 0.000 2.337 2009 G HA2 0.506 4.467 3.960 0.001 0.000 0.298 2009 G HA3 0.506 4.467 3.960 0.001 0.000 0.298 2009 G C -3.573 171.114 174.900 -0.355 0.000 1.335 2009 G CA -0.219 44.484 45.100 -0.663 0.000 0.875 2009 G HN 0.731 nan 8.290 nan 0.000 0.579 2010 P HA 0.223 nan 4.420 nan 0.000 0.275 2010 P C 1.370 178.672 177.300 0.003 0.000 1.227 2010 P CA 0.037 63.120 63.100 -0.029 0.000 0.781 2010 P CB 1.604 33.333 31.700 0.049 0.000 0.906 2011 C N 3.228 122.569 119.300 0.068 0.000 2.367 2011 C HA -0.040 4.420 4.460 0.001 0.000 0.276 2011 C C 1.278 176.353 174.990 0.142 0.000 1.195 2011 C CA 1.791 60.875 59.018 0.110 0.000 1.756 2011 C CB -1.384 26.430 27.740 0.123 0.000 2.046 2011 C HN 0.704 nan 8.230 nan 0.000 0.453 2012 A N -0.665 122.274 122.820 0.199 0.000 2.356 2012 A HA 0.710 5.031 4.320 0.001 0.000 0.323 2012 A C -0.372 177.400 177.584 0.314 0.000 1.119 2012 A CA -0.615 51.591 52.037 0.283 0.000 0.790 2012 A CB 0.490 19.769 19.000 0.464 0.000 1.273 2012 A HN 0.450 nan 8.150 nan 0.000 0.452 2013 I N 2.290 123.080 120.570 0.366 0.000 2.352 2013 I HA 0.024 4.195 4.170 0.001 0.000 0.303 2013 I C 0.822 177.224 176.117 0.475 0.000 1.194 2013 I CA 0.260 61.794 61.300 0.390 0.000 1.518 2013 I CB -0.176 38.080 38.000 0.426 0.000 1.489 2013 I HN 0.834 nan 8.210 nan 0.000 0.702 2014 E N 3.177 123.589 120.200 0.354 0.000 2.268 2014 E HA -0.072 4.278 4.350 0.001 0.000 0.195 2014 E C 0.272 177.013 176.600 0.236 0.000 0.995 2014 E CA 0.460 57.033 56.400 0.289 0.000 0.836 2014 E CB 0.072 29.824 29.700 0.087 0.000 0.763 2014 E HN 0.719 nan 8.360 nan 0.000 0.491 2015 S N -0.776 115.049 115.700 0.207 0.000 2.714 2015 S HA -0.010 4.461 4.470 0.001 0.000 0.297 2015 S C 0.262 174.979 174.600 0.195 0.000 0.993 2015 S CA -0.669 57.634 58.200 0.171 0.000 0.844 2015 S CB 0.735 63.989 63.200 0.091 0.000 1.043 2015 S HN 0.237 nan 8.310 nan 0.000 0.457 2016 E N 1.085 121.386 120.200 0.169 0.000 2.267 2016 E HA -0.215 4.136 4.350 0.001 0.000 0.197 2016 E C 1.343 177.971 176.600 0.046 0.000 0.998 2016 E CA 1.340 57.765 56.400 0.041 0.000 0.830 2016 E CB -0.156 29.481 29.700 -0.104 0.000 0.751 2016 E HN 0.785 nan 8.360 nan 0.000 0.491 2017 E N 0.674 120.909 120.200 0.059 0.000 2.051 2017 E HA -0.207 4.144 4.350 0.001 0.000 0.192 2017 E C 2.096 178.721 176.600 0.043 0.000 0.991 2017 E CA 1.068 57.493 56.400 0.043 0.000 0.799 2017 E CB -0.067 29.658 29.700 0.041 0.000 0.748 2017 E HN 0.364 nan 8.360 nan 0.000 0.449 2018 L N 0.981 122.234 121.223 0.050 0.000 2.046 2018 L HA -0.147 4.194 4.340 0.001 0.000 0.208 2018 L C 2.121 179.027 176.870 0.060 0.000 1.077 2018 L CA 1.506 56.357 54.840 0.018 0.000 0.747 2018 L CB -0.358 41.706 42.059 0.009 0.000 0.896 2018 L HN 0.225 nan 8.230 nan 0.000 0.432 2019 L N -1.129 120.170 121.223 0.127 0.000 2.079 2019 L HA -0.245 4.095 4.340 0.001 0.000 0.210 2019 L C 2.551 179.474 176.870 0.087 0.000 1.081 2019 L CA 1.373 56.339 54.840 0.211 0.000 0.752 2019 L CB -0.707 41.463 42.059 0.185 0.000 0.896 2019 L HN 0.350 nan 8.230 nan 0.000 0.433 2020 L N -0.170 121.095 121.223 0.069 0.000 2.056 2020 L HA -0.209 4.131 4.340 0.001 0.000 0.207 2020 L C 2.710 179.639 176.870 0.099 0.000 1.078 2020 L CA 1.255 56.175 54.840 0.135 0.000 0.749 2020 L CB -0.498 41.626 42.059 0.108 0.000 0.901 2020 L HN 0.261 nan 8.230 nan 0.000 0.433 2021 K N 0.228 120.655 120.400 0.044 0.000 2.057 2021 K HA -0.142 4.179 4.320 0.001 0.000 0.207 2021 K C 1.979 178.556 176.600 -0.039 0.000 1.049 2021 K CA 1.311 57.598 56.287 0.000 0.000 0.931 2021 K CB 0.085 32.574 32.500 -0.018 0.000 0.714 2021 K HN 0.074 nan 8.250 nan 0.000 0.440 2022 V N 0.531 120.448 119.914 0.006 0.000 2.379 2022 V HA -0.124 3.996 4.120 0.001 0.000 0.245 2022 V C 2.402 178.510 176.094 0.023 0.000 1.044 2022 V CA 2.019 64.344 62.300 0.043 0.000 1.036 2022 V CB -0.801 31.109 31.823 0.145 0.000 0.664 2022 V HN 0.589 nan 8.190 nan 0.000 0.453 2023 G N -0.601 108.172 108.800 -0.045 0.000 2.450 2023 G HA2 -0.295 3.666 3.960 0.001 0.000 0.220 2023 G HA3 -0.295 3.666 3.960 0.001 0.000 0.220 2023 G C 1.517 175.787 174.900 -1.051 0.000 1.130 2023 G CA 0.970 45.785 45.100 -0.475 0.000 0.760 2023 G HN 0.585 nan 8.290 nan 0.000 0.557 2024 E N 0.146 119.840 120.200 -0.844 0.000 2.077 2024 E HA -0.167 4.183 4.350 0.001 0.000 0.193 2024 E C 2.286 178.637 176.600 -0.416 0.000 0.989 2024 E CA 1.329 57.304 56.400 -0.709 0.000 0.800 2024 E CB -0.076 29.510 29.700 -0.191 0.000 0.746 2024 E HN 0.414 nan 8.360 nan 0.000 0.452 2025 E N 0.800 120.838 120.200 -0.270 0.000 2.072 2025 E HA -0.109 4.241 4.350 0.001 0.000 0.190 2025 E C 1.933 178.399 176.600 -0.224 0.000 0.982 2025 E CA 1.089 57.380 56.400 -0.182 0.000 0.803 2025 E CB -0.244 29.391 29.700 -0.108 0.000 0.755 2025 E HN 0.383 nan 8.360 nan 0.000 0.453 2026 I N 0.327 120.752 120.570 -0.243 0.000 2.493 2026 I HA -0.202 3.969 4.170 0.001 0.000 0.254 2026 I C 2.155 178.004 176.117 -0.447 0.000 1.160 2026 I CA 0.954 62.076 61.300 -0.296 0.000 1.445 2026 I CB -0.201 37.750 38.000 -0.083 0.000 1.086 2026 I HN 0.065 nan 8.210 nan 0.000 0.433 2027 K N 1.551 121.703 120.400 -0.414 0.000 2.057 2027 K HA -0.163 4.158 4.320 0.001 0.000 0.206 2027 K C 2.192 178.638 176.600 -0.257 0.000 1.050 2027 K CA 1.407 57.495 56.287 -0.332 0.000 0.935 2027 K CB -0.259 32.013 32.500 -0.379 0.000 0.715 2027 K HN 0.075 nan 8.250 nan 0.000 0.439 2028 R N -0.252 120.105 120.500 -0.238 0.000 2.081 2028 R HA -0.063 4.278 4.340 0.001 0.000 0.235 2028 R C 1.728 177.928 176.300 -0.166 0.000 1.131 2028 R CA 1.279 57.283 56.100 -0.160 0.000 0.960 2028 R CB -0.175 30.052 30.300 -0.122 0.000 0.856 2028 R HN 0.144 nan 8.270 nan 0.000 0.436 2029 L N 0.428 121.516 121.223 -0.225 0.000 2.141 2029 L HA -0.074 4.266 4.340 0.001 0.000 0.209 2029 L C 2.458 179.190 176.870 -0.231 0.000 1.094 2029 L CA 1.525 56.304 54.840 -0.100 0.000 0.763 2029 L CB -1.490 40.490 42.059 -0.132 0.000 0.908 2029 L HN 0.231 nan 8.230 nan 0.000 0.437 2030 S N -0.449 114.867 115.700 -0.640 0.000 2.370 2030 S HA -0.178 4.292 4.470 0.001 0.000 0.226 2030 S C 1.776 176.370 174.600 -0.011 0.000 1.033 2030 S CA 1.235 59.215 58.200 -0.365 0.000 1.011 2030 S CB 0.055 63.085 63.200 -0.282 0.000 0.852 2030 S HN 0.410 nan 8.310 nan 0.000 0.457 2031 E N 0.611 120.769 120.200 -0.070 0.000 2.285 2031 E HA 0.022 4.373 4.350 0.001 0.000 0.194 2031 E C 1.879 178.440 176.600 -0.064 0.000 0.997 2031 E CA 0.548 56.927 56.400 -0.035 0.000 0.845 2031 E CB -0.141 29.530 29.700 -0.049 0.000 0.782 2031 E HN 0.598 nan 8.360 nan 0.000 0.491 2032 K N -0.364 119.958 120.400 -0.130 0.000 2.211 2032 K HA 0.036 4.356 4.320 0.001 0.000 0.201 2032 K C -0.040 176.280 176.600 -0.467 0.000 1.052 2032 K CA 0.347 56.424 56.287 -0.350 0.000 0.973 2032 K CB 0.286 32.462 32.500 -0.539 0.000 0.766 2032 K HN -0.087 nan 8.250 nan 0.000 0.466 2033 F N 1.630 121.663 119.950 0.139 0.000 2.371 2033 F HA 0.316 4.843 4.527 0.001 0.000 0.343 2033 F C 0.495 176.426 175.800 0.217 0.000 1.150 2033 F CA -0.866 57.254 58.000 0.201 0.000 1.220 2033 F CB 1.338 40.523 39.000 0.309 0.000 1.475 2033 F HN -0.257 nan 8.300 nan 0.000 0.521 2034 K N 0.431 120.972 120.400 0.235 0.000 2.442 2034 K HA -0.141 4.179 4.320 0.001 0.000 0.198 2034 K C 1.484 178.198 176.600 0.190 0.000 1.042 2034 K CA 0.635 57.036 56.287 0.189 0.000 0.958 2034 K CB 0.109 32.674 32.500 0.109 0.000 0.766 2034 K HN 0.415 nan 8.250 nan 0.000 0.474 2035 E N 0.572 120.902 120.200 0.217 0.000 2.494 2035 E HA 0.018 4.369 4.350 0.001 0.000 0.193 2035 E C -0.655 176.047 176.600 0.171 0.000 1.074 2035 E CA -0.026 56.478 56.400 0.173 0.000 0.867 2035 E CB 0.298 30.096 29.700 0.164 0.000 0.924 2035 E HN -0.169 nan 8.360 nan 0.000 0.502 2036 V N 0.578 120.606 119.914 0.189 0.000 2.789 2036 V HA 0.298 4.419 4.120 0.001 0.000 0.311 2036 V C -0.580 175.530 176.094 0.026 0.000 1.073 2036 V CA -1.084 61.245 62.300 0.047 0.000 0.921 2036 V CB 2.032 33.755 31.823 -0.167 0.000 1.009 2036 V HN 0.034 nan 8.190 nan 0.000 0.426 2037 E N 2.882 123.034 120.200 -0.080 0.000 2.081 2037 E HA 0.449 4.800 4.350 0.001 0.000 0.276 2037 E C -1.561 174.960 176.600 -0.131 0.000 0.950 2037 E CA -0.451 55.944 56.400 -0.009 0.000 0.776 2037 E CB 0.675 30.377 29.700 0.003 0.000 1.094 2037 E HN 0.493 nan 8.360 nan 0.000 0.402 2038 F N 3.131 123.098 119.950 0.029 0.000 2.394 2038 F HA 0.305 4.832 4.527 0.001 0.000 0.340 2038 F C -0.005 175.799 175.800 0.006 0.000 1.105 2038 F CA -0.529 57.475 58.000 0.007 0.000 1.124 2038 F CB 1.440 40.458 39.000 0.031 0.000 1.145 2038 F HN 0.142 nan 8.300 nan 0.000 0.505 2039 V N 4.694 124.684 119.914 0.126 0.000 2.483 2039 V HA 0.234 4.354 4.120 0.001 0.000 0.297 2039 V C -0.722 175.423 176.094 0.085 0.000 1.027 2039 V CA -1.044 61.306 62.300 0.082 0.000 0.855 2039 V CB 1.578 33.383 31.823 -0.029 0.000 0.995 2039 V HN 0.542 nan 8.190 nan 0.000 0.424 2040 F N 5.846 125.802 119.950 0.009 0.000 2.438 2040 F HA 0.533 5.061 4.527 0.001 0.000 0.356 2040 F C 0.262 176.045 175.800 -0.028 0.000 1.099 2040 F CA 0.245 58.237 58.000 -0.014 0.000 1.185 2040 F CB 0.521 39.527 39.000 0.009 0.000 1.115 2040 F HN 0.386 nan 8.300 nan 0.000 0.526 2041 K N 4.639 124.681 120.400 -0.596 0.000 2.316 2041 K HA 0.622 4.942 4.320 0.001 0.000 0.251 2041 K C -1.658 174.704 176.600 -0.397 0.000 0.934 2041 K CA -0.469 55.608 56.287 -0.349 0.000 0.802 2041 K CB 1.881 34.179 32.500 -0.337 0.000 1.171 2041 K HN 0.690 nan 8.250 nan 0.000 0.426 2042 S N 1.086 116.743 115.700 -0.072 0.000 2.578 2042 S HA 0.321 4.792 4.470 0.001 0.000 0.285 2042 S C -1.753 172.917 174.600 0.118 0.000 1.126 2042 S CA -0.534 57.686 58.200 0.033 0.000 0.878 2042 S CB 1.050 64.335 63.200 0.141 0.000 1.091 2042 S HN 0.506 nan 8.310 nan 0.000 0.450 2043 S N 3.217 118.979 115.700 0.103 0.000 2.499 2043 S HA 0.386 4.856 4.470 0.001 0.000 0.279 2043 S C 0.758 175.420 174.600 0.103 0.000 1.219 2043 S CA -0.597 57.617 58.200 0.024 0.000 1.062 2043 S CB 0.341 63.529 63.200 -0.020 0.000 0.978 2043 S HN 0.676 nan 8.310 nan 0.000 0.489 2044 F N 0.550 120.607 119.950 0.178 0.000 2.710 2044 F HA 0.441 4.969 4.527 0.001 0.000 0.298 2044 F C 0.387 176.261 175.800 0.124 0.000 1.137 2044 F CA -0.355 57.756 58.000 0.185 0.000 1.444 2044 F CB -0.031 39.072 39.000 0.173 0.000 1.111 2044 F HN 0.443 nan 8.300 nan 0.000 0.580 2045 D N 0.289 120.537 120.400 -0.255 0.000 2.931 2045 D HA 0.213 4.853 4.640 0.001 0.000 0.215 2045 D C -1.467 174.643 176.300 -0.318 0.000 1.297 2045 D CA -0.596 53.269 54.000 -0.224 0.000 0.892 2045 D CB 1.229 41.950 40.800 -0.131 0.000 1.642 2045 D HN -0.174 nan 8.370 nan 0.000 0.560 2046 K N 3.032 123.279 120.400 -0.255 0.000 2.184 2046 K HA 0.504 4.825 4.320 0.001 0.000 0.259 2046 K C 0.460 176.908 176.600 -0.254 0.000 1.119 2046 K CA -0.317 55.857 56.287 -0.188 0.000 0.991 2046 K CB 0.869 33.317 32.500 -0.085 0.000 1.522 2046 K HN 0.460 nan 8.250 nan 0.000 0.405 2047 A N 2.595 125.153 122.820 -0.436 0.000 2.235 2047 A HA -0.090 4.230 4.320 0.001 0.000 0.208 2047 A C 0.978 178.472 177.584 -0.149 0.000 1.172 2047 A CA 0.653 52.451 52.037 -0.397 0.000 0.786 2047 A CB -0.565 17.956 19.000 -0.797 0.000 0.804 2047 A HN 0.803 nan 8.150 nan 0.000 0.479 2048 N N -1.278 117.385 118.700 -0.060 0.000 2.433 2048 N HA 0.126 4.867 4.740 0.001 0.000 0.270 2048 N C -0.398 175.161 175.510 0.081 0.000 1.354 2048 N CA -0.738 52.353 53.050 0.069 0.000 0.889 2048 N CB 0.509 39.121 38.487 0.209 0.000 1.285 2048 N HN -0.050 nan 8.380 nan 0.000 0.503 2049 R N 0.616 121.129 120.500 0.022 0.000 2.679 2049 R HA 0.102 4.442 4.340 0.001 0.000 0.268 2049 R C 0.927 177.251 176.300 0.040 0.000 1.044 2049 R CA 0.034 56.156 56.100 0.036 0.000 1.105 2049 R CB 0.674 30.981 30.300 0.012 0.000 0.989 2049 R HN 0.202 nan 8.270 nan 0.000 0.447 2050 S N 0.533 116.264 115.700 0.051 0.000 2.368 2050 S HA -0.101 4.370 4.470 0.001 0.000 0.224 2050 S C 1.065 175.668 174.600 0.005 0.000 1.029 2050 S CA 1.028 59.249 58.200 0.035 0.000 0.988 2050 S CB 0.028 63.254 63.200 0.044 0.000 0.838 2050 S HN 0.643 nan 8.310 nan 0.000 0.462 2051 S N 0.154 115.859 115.700 0.007 0.000 2.541 2051 S HA 0.366 4.837 4.470 0.001 0.000 0.283 2051 S C 0.741 175.308 174.600 -0.056 0.000 1.196 2051 S CA -0.694 57.495 58.200 -0.018 0.000 1.062 2051 S CB 0.910 64.125 63.200 0.026 0.000 1.009 2051 S HN 0.172 nan 8.310 nan 0.000 0.502 2052 I N 4.098 124.576 120.570 -0.154 0.000 2.676 2052 I HA 0.038 4.208 4.170 0.001 0.000 0.259 2052 I C 0.956 176.966 176.117 -0.178 0.000 1.194 2052 I CA 1.563 62.739 61.300 -0.207 0.000 1.473 2052 I CB -0.373 37.431 38.000 -0.326 0.000 1.096 2052 I HN 0.815 nan 8.210 nan 0.000 0.443 2053 H N -0.440 118.633 119.070 0.006 0.000 2.727 2053 H HA 0.390 4.946 4.556 0.001 0.000 0.312 2053 H C 0.141 175.485 175.328 0.026 0.000 1.204 2053 H CA -0.393 55.662 56.048 0.012 0.000 1.122 2053 H CB 0.021 29.790 29.762 0.012 0.000 1.453 2053 H HN 0.114 nan 8.280 nan 0.000 0.514 2054 S N 0.330 116.095 115.700 0.109 0.000 2.600 2054 S HA 0.207 4.677 4.470 0.001 0.000 0.300 2054 S C -0.697 173.968 174.600 0.109 0.000 1.087 2054 S CA -0.860 57.407 58.200 0.111 0.000 0.965 2054 S CB 1.339 64.590 63.200 0.084 0.000 1.089 2054 S HN 0.343 nan 8.310 nan 0.000 0.496 2055 F N 2.432 122.386 119.950 0.006 0.000 2.543 2055 F HA 0.236 4.764 4.527 0.001 0.000 0.375 2055 F C 1.210 177.000 175.800 -0.016 0.000 1.075 2055 F CA 0.391 58.383 58.000 -0.013 0.000 1.225 2055 F CB 0.387 39.382 39.000 -0.008 0.000 1.099 2055 F HN 0.573 nan 8.300 nan 0.000 0.561 2056 R N 3.390 123.409 120.500 -0.802 0.000 2.164 2056 R HA 0.452 4.793 4.340 0.001 0.000 0.198 2056 R C 0.635 176.345 176.300 -0.983 0.000 1.028 2056 R CA 0.227 55.929 56.100 -0.664 0.000 1.083 2056 R CB 0.292 30.381 30.300 -0.351 0.000 1.026 2056 R HN 0.921 nan 8.270 nan 0.000 0.514 2057 G N -0.799 107.192 108.800 -1.348 0.000 2.340 2057 G HA2 -0.094 3.867 3.960 0.001 0.000 0.282 2057 G HA3 -0.094 3.867 3.960 0.001 0.000 0.282 2057 G C -1.068 173.581 174.900 -0.418 0.000 1.312 2057 G CA -0.814 43.810 45.100 -0.794 0.000 0.942 2057 G HN 0.268 nan 8.290 nan 0.000 0.495 2058 H N 0.240 119.286 119.070 -0.039 0.000 2.549 2058 H HA 0.511 5.067 4.556 0.001 0.000 0.279 2058 H C 1.212 176.568 175.328 0.048 0.000 1.018 2058 H CA 1.250 57.242 56.048 -0.093 0.000 1.175 2058 H CB 0.637 30.102 29.762 -0.495 0.000 1.485 2058 H HN 1.784 nan 8.280 nan 0.000 0.543 2059 G N 0.023 108.952 108.800 0.215 0.000 2.662 2059 G HA2 -0.224 3.737 3.960 0.001 0.000 0.686 2059 G HA3 -0.224 3.737 3.960 0.001 0.000 0.686 2059 G C 0.226 175.285 174.900 0.264 0.000 1.271 2059 G CA -0.271 44.972 45.100 0.239 0.000 0.816 2059 G HN 0.194 nan 8.290 nan 0.000 0.608 2060 L N 0.410 121.690 121.223 0.095 0.000 2.017 2060 L HA 0.096 4.437 4.340 0.001 0.000 0.208 2060 L C 2.589 179.358 176.870 -0.168 0.000 1.073 2060 L CA 3.064 57.682 54.840 -0.370 0.000 0.745 2060 L CB -0.844 40.944 42.059 -0.451 0.000 0.894 2060 L HN 0.800 nan 8.230 nan 0.000 0.432 2061 E N -1.534 118.669 120.200 0.004 0.000 2.051 2061 E HA -0.300 4.051 4.350 0.001 0.000 0.192 2061 E C 2.145 178.790 176.600 0.075 0.000 0.991 2061 E CA 1.789 58.208 56.400 0.032 0.000 0.799 2061 E CB -0.453 29.288 29.700 0.067 0.000 0.748 2061 E HN 0.626 nan 8.360 nan 0.000 0.449 2062 Y N 1.149 121.477 120.300 0.047 0.000 2.181 2062 Y HA -0.175 4.375 4.550 0.001 0.000 0.288 2062 Y C 2.294 178.238 175.900 0.074 0.000 1.146 2062 Y CA 1.816 59.957 58.100 0.067 0.000 1.164 2062 Y CB -0.466 38.068 38.460 0.122 0.000 0.982 2062 Y HN -0.003 nan 8.280 nan 0.000 0.515 2063 G N -0.648 108.336 108.800 0.306 0.000 2.404 2063 G HA2 -0.227 3.733 3.960 0.001 0.000 0.215 2063 G HA3 -0.227 3.733 3.960 0.001 0.000 0.215 2063 G C 1.665 176.626 174.900 0.102 0.000 1.174 2063 G CA 1.246 46.512 45.100 0.277 0.000 0.780 2063 G HN 0.343 nan 8.290 nan 0.000 0.537 2064 V N 0.893 120.809 119.914 0.002 0.000 2.407 2064 V HA -0.167 3.954 4.120 0.001 0.000 0.248 2064 V C 2.671 178.741 176.094 -0.040 0.000 1.055 2064 V CA 2.263 64.548 62.300 -0.025 0.000 1.049 2064 V CB -0.360 31.415 31.823 -0.079 0.000 0.662 2064 V HN 0.452 nan 8.190 nan 0.000 0.455 2065 K N 0.253 120.602 120.400 -0.083 0.000 2.057 2065 K HA -0.137 4.183 4.320 0.001 0.000 0.206 2065 K C 2.214 178.720 176.600 -0.157 0.000 1.050 2065 K CA 1.445 57.655 56.287 -0.127 0.000 0.935 2065 K CB -0.300 32.095 32.500 -0.175 0.000 0.715 2065 K HN 0.412 nan 8.250 nan 0.000 0.439 2066 A N 1.409 124.107 122.820 -0.205 0.000 1.902 2066 A HA -0.115 4.205 4.320 0.001 0.000 0.217 2066 A C 2.116 179.661 177.584 -0.064 0.000 1.181 2066 A CA 1.293 53.230 52.037 -0.167 0.000 0.623 2066 A CB -0.626 18.288 19.000 -0.143 0.000 0.818 2066 A HN 0.319 nan 8.150 nan 0.000 0.443 2067 L N -1.361 119.864 121.223 0.004 0.000 2.093 2067 L HA -0.146 4.195 4.340 0.001 0.000 0.208 2067 L C 2.791 179.648 176.870 -0.022 0.000 1.085 2067 L CA 1.450 56.311 54.840 0.034 0.000 0.755 2067 L CB -0.491 41.640 42.059 0.119 0.000 0.904 2067 L HN 0.395 nan 8.230 nan 0.000 0.435 2068 R N 0.551 121.031 120.500 -0.034 0.000 2.105 2068 R HA -0.228 4.112 4.340 0.001 0.000 0.239 2068 R C 2.346 178.600 176.300 -0.076 0.000 1.135 2068 R CA 1.604 57.677 56.100 -0.045 0.000 0.967 2068 R CB -0.024 30.247 30.300 -0.050 0.000 0.861 2068 R HN 0.058 nan 8.270 nan 0.000 0.442 2069 K N 0.098 120.439 120.400 -0.099 0.000 2.057 2069 K HA -0.082 4.238 4.320 0.001 0.000 0.207 2069 K C 1.737 178.242 176.600 -0.157 0.000 1.049 2069 K CA 1.399 57.608 56.287 -0.131 0.000 0.931 2069 K CB -0.289 32.131 32.500 -0.133 0.000 0.714 2069 K HN 0.011 nan 8.250 nan 0.000 0.440 2070 V N 1.250 121.079 119.914 -0.142 0.000 2.343 2070 V HA -0.219 3.902 4.120 0.001 0.000 0.247 2070 V C 2.462 178.517 176.094 -0.064 0.000 1.051 2070 V CA 2.158 64.377 62.300 -0.135 0.000 1.036 2070 V CB -0.506 31.064 31.823 -0.421 0.000 0.654 2070 V HN 0.447 nan 8.190 nan 0.000 0.451 2071 K N -0.025 120.335 120.400 -0.067 0.000 2.148 2071 K HA -0.190 4.130 4.320 0.001 0.000 0.204 2071 K C 2.022 178.594 176.600 -0.047 0.000 1.050 2071 K CA 1.637 57.911 56.287 -0.021 0.000 0.942 2071 K CB -0.029 32.469 32.500 -0.004 0.000 0.724 2071 K HN 0.598 nan 8.250 nan 0.000 0.446 2072 E N 0.140 120.282 120.200 -0.096 0.000 2.112 2072 E HA -0.148 4.203 4.350 0.001 0.000 0.190 2072 E C 1.734 178.217 176.600 -0.196 0.000 0.979 2072 E CA 0.787 57.116 56.400 -0.118 0.000 0.814 2072 E CB 0.135 29.767 29.700 -0.114 0.000 0.762 2072 E HN 0.372 nan 8.360 nan 0.000 0.460 2073 E N -0.650 119.346 120.200 -0.340 0.000 2.371 2073 E HA -0.067 4.284 4.350 0.001 0.000 0.194 2073 E C 0.549 176.665 176.600 -0.807 0.000 1.012 2073 E CA 0.559 56.582 56.400 -0.628 0.000 0.860 2073 E CB 0.326 29.484 29.700 -0.902 0.000 0.811 2073 E HN 0.161 nan 8.360 nan 0.000 0.502 2074 F N -1.522 118.372 119.950 -0.092 0.000 2.831 2074 F HA 0.337 4.864 4.527 0.001 0.000 0.334 2074 F C 1.193 176.959 175.800 -0.055 0.000 1.071 2074 F CA 0.295 58.246 58.000 -0.082 0.000 1.172 2074 F CB 1.069 40.001 39.000 -0.113 0.000 1.054 2074 F HN 0.015 nan 8.300 nan 0.000 0.572 2075 G N 2.045 110.895 108.800 0.084 0.000 2.221 2075 G HA2 -0.296 3.665 3.960 0.001 0.000 0.265 2075 G HA3 -0.296 3.665 3.960 0.001 0.000 0.265 2075 G C -0.102 174.850 174.900 0.086 0.000 1.041 2075 G CA 0.039 45.176 45.100 0.062 0.000 0.807 2075 G HN 0.289 nan 8.290 nan 0.000 0.502 2076 L N -0.332 120.952 121.223 0.102 0.000 2.325 2076 L HA 0.437 4.778 4.340 0.001 0.000 0.279 2076 L C 1.148 178.082 176.870 0.107 0.000 1.054 2076 L CA -0.936 53.971 54.840 0.111 0.000 0.804 2076 L CB 1.109 43.236 42.059 0.113 0.000 1.200 2076 L HN 0.045 nan 8.230 nan 0.000 0.436 2077 K N 2.512 122.983 120.400 0.119 0.000 2.380 2077 K HA 0.329 4.650 4.320 0.001 0.000 0.267 2077 K C -0.622 176.059 176.600 0.136 0.000 0.990 2077 K CA -0.217 56.133 56.287 0.105 0.000 0.946 2077 K CB 0.756 33.310 32.500 0.090 0.000 0.937 2077 K HN 0.297 nan 8.250 nan 0.000 0.491 2078 I N 0.795 121.436 120.570 0.118 0.000 2.740 2078 I HA 0.298 4.468 4.170 0.001 0.000 0.303 2078 I C 0.085 176.269 176.117 0.111 0.000 1.044 2078 I CA -0.406 60.986 61.300 0.153 0.000 1.064 2078 I CB 1.889 39.974 38.000 0.141 0.000 1.249 2078 I HN 0.573 nan 8.210 nan 0.000 0.433 2079 T N 2.630 117.253 114.554 0.116 0.000 3.041 2079 T HA 0.607 4.957 4.350 0.001 0.000 0.321 2079 T C -1.063 173.692 174.700 0.090 0.000 1.184 2079 T CA -0.209 61.935 62.100 0.074 0.000 1.050 2079 T CB 1.564 70.449 68.868 0.028 0.000 1.159 2079 T HN 0.859 nan 8.240 nan 0.000 0.469 2080 T N 2.372 116.977 114.554 0.085 0.000 2.821 2080 T HA 0.564 4.915 4.350 0.001 0.000 0.306 2080 T C -1.989 172.716 174.700 0.009 0.000 1.313 2080 T CA -0.701 61.450 62.100 0.086 0.000 1.012 2080 T CB 1.472 70.465 68.868 0.209 0.000 1.298 2080 T HN 0.794 nan 8.240 nan 0.000 0.502 2081 D N 2.427 122.761 120.400 -0.109 0.000 2.229 2081 D HA 0.540 5.180 4.640 0.001 0.000 0.249 2081 D C 0.298 176.328 176.300 -0.451 0.000 1.027 2081 D CA -0.653 53.191 54.000 -0.260 0.000 0.923 2081 D CB 0.973 41.590 40.800 -0.305 0.000 1.174 2081 D HN 0.777 nan 8.370 nan 0.000 0.443 2082 I N -2.624 117.671 120.570 -0.459 0.000 2.750 2082 I HA 0.491 4.662 4.170 0.001 0.000 0.308 2082 I C -0.385 175.294 176.117 -0.730 0.000 1.016 2082 I CA -0.972 60.055 61.300 -0.456 0.000 1.098 2082 I CB 1.924 39.808 38.000 -0.194 0.000 1.279 2082 I HN 0.311 nan 8.210 nan 0.000 0.454 2083 H N 0.434 119.445 119.070 -0.099 0.000 3.255 2083 H HA 0.444 5.000 4.556 0.001 0.000 0.256 2083 H C -0.559 174.740 175.328 -0.050 0.000 1.049 2083 H CA -0.192 55.816 56.048 -0.068 0.000 1.202 2083 H CB 0.810 30.542 29.762 -0.050 0.000 1.497 2083 H HN 0.598 nan 8.280 nan 0.000 0.503 2084 E N -0.452 119.712 120.200 -0.061 0.000 2.390 2084 E HA 0.264 4.615 4.350 0.001 0.000 0.277 2084 E C 0.048 176.541 176.600 -0.178 0.000 0.939 2084 E CA -0.303 56.069 56.400 -0.046 0.000 0.769 2084 E CB 2.426 32.191 29.700 0.107 0.000 1.251 2084 E HN -0.036 nan 8.360 nan 0.000 0.450 2085 S N 1.363 117.055 115.700 -0.013 0.000 2.380 2085 S HA -0.185 4.286 4.470 0.001 0.000 0.229 2085 S C 1.564 176.172 174.600 0.014 0.000 1.043 2085 S CA 1.878 60.086 58.200 0.013 0.000 1.038 2085 S CB -0.280 62.974 63.200 0.090 0.000 0.872 2085 S HN 0.736 nan 8.310 nan 0.000 0.456 2086 W N 1.854 123.186 121.300 0.053 0.000 2.421 2086 W HA -0.072 4.588 4.660 0.001 0.000 0.270 2086 W C 1.165 177.712 176.519 0.047 0.000 1.233 2086 W CA 0.731 58.102 57.345 0.044 0.000 1.226 2086 W CB -0.792 28.692 29.460 0.041 0.000 1.121 2086 W HN 0.410 nan 8.180 nan 0.000 0.579 2087 Q N 0.853 120.193 119.800 -0.766 0.000 2.378 2087 Q HA 0.029 4.370 4.340 0.001 0.000 0.205 2087 Q C 2.675 178.527 176.000 -0.247 0.000 0.954 2087 Q CA 1.116 56.494 55.803 -0.708 0.000 0.901 2087 Q CB -0.243 28.003 28.738 -0.821 0.000 0.981 2087 Q HN 0.308 nan 8.270 nan 0.000 0.483 2088 A N 1.861 124.593 122.820 -0.146 0.000 1.865 2088 A HA -0.300 4.021 4.320 0.001 0.000 0.217 2088 A C 1.976 179.546 177.584 -0.023 0.000 1.191 2088 A CA 1.805 53.806 52.037 -0.061 0.000 0.623 2088 A CB -0.559 18.422 19.000 -0.031 0.000 0.826 2088 A HN 0.440 nan 8.150 nan 0.000 0.444 2089 E N -0.367 119.837 120.200 0.006 0.000 2.023 2089 E HA -0.172 4.179 4.350 0.001 0.000 0.196 2089 E C -0.477 176.134 176.600 0.018 0.000 1.003 2089 E CA 1.616 58.031 56.400 0.026 0.000 0.809 2089 E CB -0.651 29.082 29.700 0.055 0.000 0.755 2089 E HN 0.499 nan 8.360 nan 0.000 0.449 2090 P HA -0.120 nan 4.420 nan 0.000 0.218 2090 P C 1.599 178.880 177.300 -0.031 0.000 1.149 2090 P CA 1.032 64.135 63.100 0.005 0.000 0.817 2090 P CB 0.033 31.750 31.700 0.028 0.000 0.785 2091 V N 0.933 120.817 119.914 -0.049 0.000 2.453 2091 V HA -0.129 3.992 4.120 0.001 0.000 0.247 2091 V C 2.761 178.859 176.094 0.007 0.000 1.048 2091 V CA 1.860 64.143 62.300 -0.028 0.000 1.049 2091 V CB -1.608 30.218 31.823 0.004 0.000 0.672 2091 V HN 0.090 nan 8.190 nan 0.000 0.457 2092 A N -0.327 122.497 122.820 0.007 0.000 2.225 2092 A HA -0.168 4.153 4.320 0.001 0.000 0.215 2092 A C 2.059 179.653 177.584 0.017 0.000 1.164 2092 A CA 1.231 53.278 52.037 0.017 0.000 0.710 2092 A CB -0.332 18.677 19.000 0.015 0.000 0.780 2092 A HN 0.591 nan 8.150 nan 0.000 0.473 2093 E N -0.428 119.778 120.200 0.011 0.000 2.152 2093 E HA -0.077 4.274 4.350 0.001 0.000 0.192 2093 E C 1.705 178.313 176.600 0.012 0.000 0.983 2093 E CA 1.472 57.878 56.400 0.009 0.000 0.818 2093 E CB -0.144 29.557 29.700 0.002 0.000 0.758 2093 E HN 0.507 nan 8.360 nan 0.000 0.467 2094 V N 0.506 120.431 119.914 0.018 0.000 3.013 2094 V HA 0.206 4.327 4.120 0.001 0.000 0.238 2094 V C 0.978 177.100 176.094 0.046 0.000 1.161 2094 V CA 0.458 62.774 62.300 0.027 0.000 1.170 2094 V CB -0.000 31.839 31.823 0.027 0.000 0.917 2094 V HN 0.077 nan 8.190 nan 0.000 0.478 2095 A N 1.023 123.875 122.820 0.054 0.000 2.491 2095 A HA 0.090 4.411 4.320 0.001 0.000 0.261 2095 A C 0.995 178.612 177.584 0.055 0.000 1.101 2095 A CA 0.194 52.271 52.037 0.065 0.000 0.772 2095 A CB -0.189 18.853 19.000 0.070 0.000 1.043 2095 A HN 0.453 nan 8.150 nan 0.000 0.501 2096 D N 1.654 122.091 120.400 0.060 0.000 2.213 2096 D HA 0.057 4.698 4.640 0.001 0.000 0.205 2096 D C 0.206 176.543 176.300 0.061 0.000 0.961 2096 D CA 1.359 55.394 54.000 0.058 0.000 0.853 2096 D CB 0.238 41.075 40.800 0.061 0.000 0.967 2096 D HN 0.598 nan 8.370 nan 0.000 0.496 2097 I N 1.583 122.185 120.570 0.053 0.000 2.447 2097 I HA 0.270 4.441 4.170 0.001 0.000 0.287 2097 I C -0.370 175.770 176.117 0.039 0.000 1.023 2097 I CA -0.581 60.748 61.300 0.049 0.000 1.083 2097 I CB 2.646 40.646 38.000 0.000 0.000 1.245 2097 I HN -0.308 nan 8.210 nan 0.000 0.434 2098 I N 5.846 126.439 120.570 0.038 0.000 2.325 2098 I HA 0.210 4.380 4.170 0.001 0.000 0.291 2098 I C 0.158 176.271 176.117 -0.006 0.000 1.019 2098 I CA -0.233 61.076 61.300 0.015 0.000 1.302 2098 I CB 1.260 39.266 38.000 0.008 0.000 1.401 2098 I HN 0.606 nan 8.210 nan 0.000 0.485 2099 Q N 6.621 126.400 119.800 -0.035 0.000 2.243 2099 Q HA 0.411 4.751 4.340 0.001 0.000 0.252 2099 Q C -1.126 174.800 176.000 -0.123 0.000 0.909 2099 Q CA -0.712 55.047 55.803 -0.073 0.000 0.922 2099 Q CB 1.414 30.109 28.738 -0.071 0.000 1.215 2099 Q HN 0.476 nan 8.270 nan 0.000 0.427 2100 I N 6.280 126.777 120.570 -0.122 0.000 2.339 2100 I HA 0.354 4.524 4.170 0.001 0.000 0.290 2100 I C -2.188 173.830 176.117 -0.165 0.000 0.994 2100 I CA -2.692 58.530 61.300 -0.130 0.000 1.191 2100 I CB 0.908 38.861 38.000 -0.078 0.000 1.343 2100 I HN 0.532 nan 8.210 nan 0.000 0.458 2101 P HA 0.067 nan 4.420 nan 0.000 0.267 2101 P C 0.619 177.811 177.300 -0.181 0.000 1.200 2101 P CA 0.084 63.066 63.100 -0.197 0.000 0.772 2101 P CB 0.881 32.514 31.700 -0.112 0.000 0.855 2102 A N 2.438 125.078 122.820 -0.300 0.000 1.883 2102 A HA -0.217 4.104 4.320 0.001 0.000 0.217 2102 A C 1.665 179.226 177.584 -0.039 0.000 1.186 2102 A CA 1.750 53.620 52.037 -0.278 0.000 0.624 2102 A CB -1.627 17.122 19.000 -0.419 0.000 0.822 2102 A HN 0.507 nan 8.150 nan 0.000 0.444 2103 F N -0.237 119.740 119.950 0.045 0.000 2.333 2103 F HA 0.009 4.536 4.527 0.001 0.000 0.300 2103 F C 1.583 177.503 175.800 0.199 0.000 1.083 2103 F CA 0.430 58.557 58.000 0.211 0.000 1.395 2103 F CB -0.542 38.537 39.000 0.131 0.000 1.056 2103 F HN 0.107 nan 8.300 nan 0.000 0.529 2104 L N -0.471 120.907 121.223 0.259 0.000 2.700 2104 L HA 0.094 4.434 4.340 0.001 0.000 0.234 2104 L C 1.890 178.827 176.870 0.111 0.000 1.156 2104 L CA -0.053 54.885 54.840 0.164 0.000 0.946 2104 L CB -0.721 41.396 42.059 0.097 0.000 1.216 2104 L HN 0.237 nan 8.230 nan 0.000 0.493 2105 C N -1.333 118.035 119.300 0.114 0.000 2.430 2105 C HA 0.014 4.475 4.460 0.001 0.000 0.288 2105 C C 2.179 177.217 174.990 0.080 0.000 1.448 2105 C CA -0.064 58.984 59.018 0.048 0.000 1.784 2105 C CB -0.818 26.902 27.740 -0.033 0.000 1.776 2105 C HN 0.446 nan 8.230 nan 0.000 0.547 2106 R N -0.016 120.569 120.500 0.141 0.000 2.397 2106 R HA 0.176 4.517 4.340 0.001 0.000 0.241 2106 R C 0.126 176.462 176.300 0.060 0.000 0.914 2106 R CA 0.121 56.282 56.100 0.102 0.000 1.071 2106 R CB -0.128 30.254 30.300 0.136 0.000 1.116 2106 R HN 0.589 nan 8.270 nan 0.000 0.524 2107 Q N 1.262 121.098 119.800 0.061 0.000 2.381 2107 Q HA 0.092 4.432 4.340 0.001 0.000 0.243 2107 Q C 0.795 176.816 176.000 0.035 0.000 1.154 2107 Q CA 0.220 56.050 55.803 0.044 0.000 0.899 2107 Q CB 0.898 29.666 28.738 0.050 0.000 1.396 2107 Q HN 0.031 nan 8.270 nan 0.000 0.485 2108 T N 1.635 116.205 114.554 0.028 0.000 2.624 2108 T HA -0.181 4.170 4.350 0.001 0.000 0.268 2108 T C 0.911 175.636 174.700 0.042 0.000 1.041 2108 T CA 1.734 63.851 62.100 0.028 0.000 1.159 2108 T CB 0.075 68.952 68.868 0.015 0.000 0.863 2108 T HN 0.489 nan 8.240 nan 0.000 0.434 2109 D N 0.638 121.063 120.400 0.043 0.000 2.178 2109 D HA -0.029 4.612 4.640 0.001 0.000 0.201 2109 D C 2.015 178.341 176.300 0.044 0.000 0.980 2109 D CA 0.503 54.534 54.000 0.051 0.000 0.842 2109 D CB -0.367 40.466 40.800 0.055 0.000 0.948 2109 D HN 0.188 nan 8.370 nan 0.000 0.472 2110 L N 0.519 121.762 121.223 0.033 0.000 2.056 2110 L HA -0.063 4.278 4.340 0.001 0.000 0.207 2110 L C 2.220 179.096 176.870 0.010 0.000 1.078 2110 L CA 1.207 56.055 54.840 0.014 0.000 0.749 2110 L CB -0.443 41.620 42.059 0.006 0.000 0.901 2110 L HN -0.016 nan 8.230 nan 0.000 0.433 2111 L N -1.404 119.832 121.223 0.021 0.000 2.017 2111 L HA -0.242 4.099 4.340 0.001 0.000 0.208 2111 L C 2.484 179.377 176.870 0.038 0.000 1.073 2111 L CA 1.308 56.163 54.840 0.024 0.000 0.745 2111 L CB -0.617 41.459 42.059 0.030 0.000 0.894 2111 L HN 0.268 nan 8.230 nan 0.000 0.432 2112 L N -0.419 120.837 121.223 0.056 0.000 2.046 2112 L HA -0.201 4.139 4.340 0.001 0.000 0.208 2112 L C 2.888 179.784 176.870 0.043 0.000 1.077 2112 L CA 1.145 56.027 54.840 0.069 0.000 0.747 2112 L CB -0.766 41.352 42.059 0.099 0.000 0.896 2112 L HN 0.256 nan 8.230 nan 0.000 0.432 2113 A N 0.066 122.907 122.820 0.036 0.000 1.902 2113 A HA -0.163 4.158 4.320 0.001 0.000 0.217 2113 A C 2.538 180.130 177.584 0.013 0.000 1.181 2113 A CA 1.751 53.803 52.037 0.026 0.000 0.623 2113 A CB -0.659 18.355 19.000 0.023 0.000 0.818 2113 A HN 0.402 nan 8.150 nan 0.000 0.443 2114 A N -0.152 122.672 122.820 0.007 0.000 1.898 2114 A HA 0.186 4.507 4.320 0.001 0.000 0.216 2114 A C 2.507 180.098 177.584 0.013 0.000 1.181 2114 A CA 2.023 54.062 52.037 0.003 0.000 0.620 2114 A CB -1.037 17.962 19.000 -0.003 0.000 0.819 2114 A HN 1.075 nan 8.150 nan 0.000 0.442 2115 A N -0.274 122.557 122.820 0.017 0.000 1.972 2115 A HA -0.176 4.145 4.320 0.001 0.000 0.219 2115 A C 2.104 179.691 177.584 0.005 0.000 1.169 2115 A CA 1.968 54.014 52.037 0.015 0.000 0.635 2115 A CB -0.447 18.565 19.000 0.020 0.000 0.810 2115 A HN 0.552 nan 8.150 nan 0.000 0.446 2116 K N -0.062 120.341 120.400 0.005 0.000 2.209 2116 K HA -0.136 4.185 4.320 0.001 0.000 0.204 2116 K C 1.893 178.494 176.600 0.003 0.000 1.048 2116 K CA 1.716 58.002 56.287 -0.001 0.000 0.940 2116 K CB -0.283 32.220 32.500 0.006 0.000 0.729 2116 K HN 0.648 nan 8.250 nan 0.000 0.451 2117 T N -3.239 111.321 114.554 0.009 0.000 3.072 2117 T HA 0.050 4.401 4.350 0.001 0.000 0.266 2117 T C 1.466 176.174 174.700 0.012 0.000 1.127 2117 T CA 0.983 63.090 62.100 0.012 0.000 1.107 2117 T CB -0.196 68.680 68.868 0.014 0.000 0.910 2117 T HN 0.412 nan 8.240 nan 0.000 0.513 2118 G N 1.342 110.147 108.800 0.010 0.000 2.205 2118 G HA2 -0.251 3.709 3.960 0.001 0.000 0.261 2118 G HA3 -0.251 3.709 3.960 0.001 0.000 0.261 2118 G C 0.392 175.304 174.900 0.021 0.000 0.980 2118 G CA 0.031 45.138 45.100 0.011 0.000 0.632 2118 G HN 0.628 nan 8.290 nan 0.000 0.533 2119 R N 0.716 121.232 120.500 0.027 0.000 2.652 2119 R HA 0.703 5.044 4.340 0.001 0.000 0.271 2119 R C 0.926 177.258 176.300 0.053 0.000 1.129 2119 R CA 0.242 56.367 56.100 0.040 0.000 1.200 2119 R CB -0.095 30.229 30.300 0.040 0.000 1.146 2119 R HN 0.706 nan 8.270 nan 0.000 0.581 2120 A N 0.609 123.477 122.820 0.080 0.000 2.351 2120 A HA 0.434 4.754 4.320 0.001 0.000 0.257 2120 A C -0.370 177.286 177.584 0.121 0.000 1.087 2120 A CA -0.383 51.728 52.037 0.124 0.000 0.798 2120 A CB 0.612 19.744 19.000 0.219 0.000 1.033 2120 A HN 0.318 nan 8.150 nan 0.000 0.488 2121 V N 2.294 122.292 119.914 0.141 0.000 2.531 2121 V HA 0.360 4.480 4.120 0.001 0.000 0.301 2121 V C -0.134 176.063 176.094 0.171 0.000 1.034 2121 V CA -0.740 61.625 62.300 0.109 0.000 0.865 2121 V CB 1.699 33.557 31.823 0.058 0.000 0.995 2121 V HN 0.976 nan 8.190 nan 0.000 0.424 2122 N N 3.342 122.109 118.700 0.111 0.000 2.479 2122 N HA 0.560 5.301 4.740 0.001 0.000 0.261 2122 N C -1.365 174.143 175.510 -0.005 0.000 0.979 2122 N CA -0.401 52.706 53.050 0.096 0.000 0.930 2122 N CB 1.782 40.268 38.487 -0.002 0.000 1.172 2122 N HN 0.451 nan 8.380 nan 0.000 0.499 2123 V N 4.003 123.914 119.914 -0.004 0.000 2.370 2123 V HA 0.258 4.378 4.120 0.001 0.000 0.279 2123 V C 0.206 176.228 176.094 -0.120 0.000 1.029 2123 V CA -0.769 61.494 62.300 -0.061 0.000 0.870 2123 V CB 1.101 32.903 31.823 -0.035 0.000 0.984 2123 V HN 0.577 nan 8.190 nan 0.000 0.451 2124 K N 3.907 124.191 120.400 -0.192 0.000 2.379 2124 K HA 0.171 4.492 4.320 0.001 0.000 0.284 2124 K C 0.107 176.562 176.600 -0.242 0.000 1.044 2124 K CA -0.190 55.935 56.287 -0.271 0.000 0.974 2124 K CB 0.744 33.024 32.500 -0.367 0.000 0.962 2124 K HN 0.610 nan 8.250 nan 0.000 0.474 2125 K N 1.766 122.023 120.400 -0.239 0.000 2.412 2125 K HA 0.071 4.391 4.320 0.001 0.000 0.284 2125 K C 0.308 176.688 176.600 -0.366 0.000 1.046 2125 K CA -0.097 56.037 56.287 -0.255 0.000 0.999 2125 K CB 0.382 32.756 32.500 -0.210 0.000 0.941 2125 K HN 0.701 nan 8.250 nan 0.000 0.474 2126 G N 3.286 111.771 108.800 -0.525 0.000 2.391 2126 G HA2 -0.104 3.857 3.960 0.001 0.000 0.234 2126 G HA3 -0.104 3.857 3.960 0.001 0.000 0.234 2126 G C 0.193 174.638 174.900 -0.758 0.000 1.284 2126 G CA -0.394 44.168 45.100 -0.898 0.000 0.873 2126 G HN 0.813 nan 8.290 nan 0.000 0.549 2127 Q N 0.817 120.352 119.800 -0.442 0.000 2.508 2127 Q HA -0.055 4.286 4.340 0.001 0.000 0.214 2127 Q C 1.605 177.548 176.000 -0.094 0.000 0.979 2127 Q CA 1.352 57.055 55.803 -0.167 0.000 0.911 2127 Q CB -0.190 28.577 28.738 0.048 0.000 0.969 2127 Q HN 0.835 nan 8.270 nan 0.000 0.504 2128 F N -2.997 116.968 119.950 0.025 0.000 2.731 2128 F HA 0.339 4.866 4.527 0.001 0.000 0.298 2128 F C 0.293 176.074 175.800 -0.031 0.000 1.106 2128 F CA -0.876 57.129 58.000 0.007 0.000 1.329 2128 F CB -0.014 38.998 39.000 0.020 0.000 1.100 2128 F HN -0.120 nan 8.300 nan 0.000 0.592 2129 L N 2.015 123.070 121.223 -0.281 0.000 2.326 2129 L HA 0.700 5.041 4.340 0.001 0.000 0.278 2129 L C 0.272 177.000 176.870 -0.237 0.000 1.092 2129 L CA -0.986 53.748 54.840 -0.177 0.000 0.810 2129 L CB 0.955 42.837 42.059 -0.294 0.000 1.153 2129 L HN 0.231 nan 8.230 nan 0.000 0.439 2130 A N 5.919 128.563 122.820 -0.292 0.000 2.340 2130 A HA 0.547 4.868 4.320 0.001 0.000 0.268 2130 A C -1.825 175.331 177.584 -0.713 0.000 1.100 2130 A CA -1.131 50.526 52.037 -0.633 0.000 0.803 2130 A CB -0.030 18.471 19.000 -0.831 0.000 1.043 2130 A HN 0.748 nan 8.150 nan 0.000 0.488 2131 P HA -0.194 nan 4.420 nan 0.000 0.215 2131 P C 0.988 178.265 177.300 -0.038 0.000 1.157 2131 P CA 2.176 65.062 63.100 -0.357 0.000 0.874 2131 P CB -0.163 31.369 31.700 -0.279 0.000 0.790 2132 W N -0.380 121.069 121.300 0.248 0.000 2.525 2132 W HA -0.006 4.655 4.660 0.001 0.000 0.259 2132 W C 0.837 177.395 176.519 0.066 0.000 1.253 2132 W CA 0.641 58.184 57.345 0.330 0.000 1.262 2132 W CB -1.817 27.781 29.460 0.230 0.000 1.122 2132 W HN -0.094 nan 8.180 nan 0.000 0.607 2133 D N 0.771 121.155 120.400 -0.027 0.000 2.349 2133 D HA -0.073 4.567 4.640 0.001 0.000 0.224 2133 D C 1.900 178.124 176.300 -0.126 0.000 1.029 2133 D CA 1.624 55.599 54.000 -0.041 0.000 0.879 2133 D CB -0.231 40.546 40.800 -0.037 0.000 0.906 2133 D HN 0.379 nan 8.370 nan 0.000 0.528 2134 T N -2.260 112.226 114.554 -0.115 0.000 3.088 2134 T HA 0.001 4.352 4.350 0.001 0.000 0.259 2134 T C 1.710 176.130 174.700 -0.467 0.000 1.122 2134 T CA 0.192 62.216 62.100 -0.125 0.000 1.095 2134 T CB 0.344 69.283 68.868 0.119 0.000 0.930 2134 T HN 0.025 nan 8.240 nan 0.000 0.508 2135 K N 1.699 121.505 120.400 -0.990 0.000 2.057 2135 K HA -0.110 4.210 4.320 0.001 0.000 0.207 2135 K C 2.063 178.295 176.600 -0.614 0.000 1.049 2135 K CA 1.632 57.038 56.287 -1.468 0.000 0.931 2135 K CB -0.331 31.215 32.500 -1.591 0.000 0.714 2135 K HN 0.484 nan 8.250 nan 0.000 0.440 2136 N N -0.227 118.245 118.700 -0.381 0.000 2.309 2136 N HA -0.126 4.615 4.740 0.001 0.000 0.182 2136 N C 1.634 177.053 175.510 -0.152 0.000 1.018 2136 N CA 0.771 53.695 53.050 -0.210 0.000 0.876 2136 N CB 0.168 38.572 38.487 -0.138 0.000 0.972 2136 N HN -0.019 nan 8.380 nan 0.000 0.434 2137 V N 0.605 120.427 119.914 -0.154 0.000 2.307 2137 V HA -0.175 3.946 4.120 0.001 0.000 0.245 2137 V C 2.229 178.284 176.094 -0.065 0.000 1.045 2137 V CA 1.263 63.513 62.300 -0.083 0.000 1.024 2137 V CB -0.373 31.411 31.823 -0.065 0.000 0.651 2137 V HN 0.128 nan 8.190 nan 0.000 0.449 2138 V N 0.038 119.892 119.914 -0.100 0.000 2.343 2138 V HA -0.298 3.822 4.120 0.001 0.000 0.247 2138 V C 2.467 178.547 176.094 -0.024 0.000 1.051 2138 V CA 2.342 64.617 62.300 -0.041 0.000 1.036 2138 V CB -0.587 31.221 31.823 -0.025 0.000 0.654 2138 V HN 0.688 nan 8.190 nan 0.000 0.451 2139 E N 0.297 120.460 120.200 -0.062 0.000 2.085 2139 E HA -0.277 4.074 4.350 0.001 0.000 0.194 2139 E C 2.269 178.892 176.600 0.039 0.000 0.994 2139 E CA 1.532 57.921 56.400 -0.018 0.000 0.801 2139 E CB -0.064 29.598 29.700 -0.062 0.000 0.743 2139 E HN 0.578 nan 8.360 nan 0.000 0.453 2140 K N 0.185 120.593 120.400 0.013 0.000 2.032 2140 K HA -0.160 4.161 4.320 0.001 0.000 0.209 2140 K C 2.324 179.001 176.600 0.128 0.000 1.048 2140 K CA 1.505 57.829 56.287 0.062 0.000 0.927 2140 K CB -0.200 32.313 32.500 0.021 0.000 0.712 2140 K HN 0.225 nan 8.250 nan 0.000 0.441 2141 L N 1.049 122.315 121.223 0.071 0.000 2.046 2141 L HA -0.207 4.134 4.340 0.001 0.000 0.208 2141 L C 2.364 179.273 176.870 0.066 0.000 1.077 2141 L CA 1.376 56.253 54.840 0.062 0.000 0.747 2141 L CB -0.335 41.745 42.059 0.035 0.000 0.896 2141 L HN 0.156 nan 8.230 nan 0.000 0.432 2142 K N -0.477 119.966 120.400 0.071 0.000 2.057 2142 K HA -0.202 4.119 4.320 0.001 0.000 0.206 2142 K C 2.085 178.733 176.600 0.080 0.000 1.050 2142 K CA 1.517 57.841 56.287 0.061 0.000 0.935 2142 K CB -0.298 32.239 32.500 0.060 0.000 0.715 2142 K HN 0.096 nan 8.250 nan 0.000 0.439 2143 F N 1.305 121.249 119.950 -0.008 0.000 2.161 2143 F HA -0.115 4.412 4.527 0.001 0.000 0.300 2143 F C 1.817 177.616 175.800 -0.002 0.000 1.089 2143 F CA 1.679 59.676 58.000 -0.006 0.000 1.282 2143 F CB -0.407 38.588 39.000 -0.009 0.000 1.010 2143 F HN -0.020 nan 8.300 nan 0.000 0.485 2144 G N -1.079 107.738 108.800 0.028 0.000 2.848 2144 G HA2 0.265 4.226 3.960 0.001 0.000 0.208 2144 G HA3 0.265 4.226 3.960 0.001 0.000 0.208 2144 G C 1.284 176.129 174.900 -0.092 0.000 1.152 2144 G CA 0.351 45.416 45.100 -0.059 0.000 0.789 2144 G HN 1.037 nan 8.290 nan 0.000 0.531 2145 G N -1.612 107.137 108.800 -0.085 0.000 2.144 2145 G HA2 0.159 4.119 3.960 0.001 0.000 0.218 2145 G HA3 0.159 4.119 3.960 0.001 0.000 0.218 2145 G C 0.386 175.271 174.900 -0.026 0.000 0.988 2145 G CA 0.101 45.162 45.100 -0.065 0.000 0.659 2145 G HN 1.262 nan 8.290 nan 0.000 0.522 2146 A N -0.178 122.637 122.820 -0.008 0.000 2.363 2146 A HA 0.773 5.093 4.320 0.001 0.000 0.270 2146 A C 1.087 178.669 177.584 -0.003 0.000 1.121 2146 A CA 0.616 52.654 52.037 0.002 0.000 0.800 2146 A CB 0.598 19.607 19.000 0.014 0.000 1.052 2146 A HN 0.280 nan 8.150 nan 0.000 0.493 2147 K N 0.659 121.055 120.400 -0.006 0.000 2.424 2147 K HA 0.108 4.429 4.320 0.001 0.000 0.198 2147 K C 0.112 176.688 176.600 -0.040 0.000 1.190 2147 K CA 0.263 56.541 56.287 -0.016 0.000 0.935 2147 K CB 0.649 33.144 32.500 -0.010 0.000 1.087 2147 K HN 0.804 nan 8.250 nan 0.000 0.524 2148 E N 2.004 122.180 120.200 -0.041 0.000 2.035 2148 E HA 0.291 4.641 4.350 0.001 0.000 0.271 2148 E C -1.217 175.298 176.600 -0.141 0.000 0.953 2148 E CA -0.206 56.130 56.400 -0.107 0.000 0.777 2148 E CB 0.517 30.207 29.700 -0.015 0.000 1.104 2148 E HN 0.089 nan 8.360 nan 0.000 0.408 2149 I N 4.484 124.898 120.570 -0.259 0.000 2.465 2149 I HA 0.331 4.501 4.170 0.001 0.000 0.291 2149 I C -1.056 174.866 176.117 -0.325 0.000 1.014 2149 I CA -0.858 60.337 61.300 -0.174 0.000 1.093 2149 I CB 1.138 39.105 38.000 -0.056 0.000 1.267 2149 I HN 0.466 nan 8.210 nan 0.000 0.431 2150 Y N 5.681 125.986 120.300 0.009 0.000 2.485 2150 Y HA 0.663 5.214 4.550 0.001 0.000 0.345 2150 Y C -0.457 175.437 175.900 -0.010 0.000 0.998 2150 Y CA -0.836 57.262 58.100 -0.003 0.000 1.059 2150 Y CB 1.864 40.312 38.460 -0.021 0.000 1.234 2150 Y HN 0.274 nan 8.280 nan 0.000 0.461 2151 L N 2.380 123.692 121.223 0.148 0.000 2.362 2151 L HA 0.588 4.929 4.340 0.001 0.000 0.275 2151 L C -0.691 176.190 176.870 0.017 0.000 0.998 2151 L CA -0.552 54.327 54.840 0.066 0.000 0.820 2151 L CB 2.150 44.264 42.059 0.091 0.000 1.270 2151 L HN 0.646 nan 8.230 nan 0.000 0.415 2152 T N 1.255 115.768 114.554 -0.068 0.000 2.779 2152 T HA 0.228 4.579 4.350 0.001 0.000 0.280 2152 T C -0.384 174.214 174.700 -0.170 0.000 0.987 2152 T CA -0.441 61.577 62.100 -0.137 0.000 0.966 2152 T CB 1.553 70.261 68.868 -0.266 0.000 0.933 2152 T HN 0.405 nan 8.240 nan 0.000 0.442 2153 E N 2.707 122.831 120.200 -0.126 0.000 2.223 2153 E HA 0.273 4.623 4.350 0.001 0.000 0.282 2153 E C 0.476 176.940 176.600 -0.227 0.000 1.046 2153 E CA -0.502 55.820 56.400 -0.131 0.000 0.857 2153 E CB 0.433 30.124 29.700 -0.014 0.000 1.055 2153 E HN 0.622 nan 8.360 nan 0.000 0.409 2154 R N 3.068 123.422 120.500 -0.243 0.000 2.592 2154 R HA 0.495 4.836 4.340 0.001 0.000 0.439 2154 R C 0.202 176.393 176.300 -0.181 0.000 0.995 2154 R CA -0.197 55.746 56.100 -0.262 0.000 1.141 2154 R CB 0.095 30.201 30.300 -0.324 0.000 1.495 2154 R HN 0.641 nan 8.270 nan 0.000 0.579 2155 G N 0.034 108.736 108.800 -0.164 0.000 2.699 2155 G HA2 -0.048 3.913 3.960 0.001 0.000 0.686 2155 G HA3 -0.048 3.913 3.960 0.001 0.000 0.686 2155 G C -0.847 173.981 174.900 -0.121 0.000 1.301 2155 G CA -0.440 44.583 45.100 -0.129 0.000 0.816 2155 G HN 0.194 nan 8.290 nan 0.000 0.595 2156 T N 0.750 115.253 114.554 -0.085 0.000 2.893 2156 T HA 0.657 5.008 4.350 0.001 0.000 0.291 2156 T C 0.417 175.140 174.700 0.039 0.000 1.028 2156 T CA -0.052 62.018 62.100 -0.051 0.000 0.995 2156 T CB 1.721 70.545 68.868 -0.073 0.000 1.051 2156 T HN 0.882 nan 8.240 nan 0.000 0.470 2157 T N 2.928 117.526 114.554 0.073 0.000 2.831 2157 T HA 0.159 4.509 4.350 0.001 0.000 0.291 2157 T C -0.744 174.062 174.700 0.176 0.000 0.981 2157 T CA 0.492 62.666 62.100 0.122 0.000 1.174 2157 T CB -0.476 68.465 68.868 0.122 0.000 0.929 2157 T HN 0.428 nan 8.240 nan 0.000 0.532 2158 F N 4.062 124.004 119.950 -0.013 0.000 2.691 2158 F HA 0.527 5.054 4.527 0.001 0.000 0.371 2158 F C 0.691 176.458 175.800 -0.056 0.000 1.159 2158 F CA 0.039 58.017 58.000 -0.036 0.000 1.174 2158 F CB -0.133 38.849 39.000 -0.031 0.000 1.419 2158 F HN 0.918 nan 8.300 nan 0.000 0.514 2159 G N 2.924 111.494 108.800 -0.384 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 -1.347 173.379 174.900 -0.290 0.000 1.302 2159 G CA -0.311 44.491 45.100 -0.497 0.000 0.903 2159 G HN 0.512 nan 8.290 nan 0.000 0.575 2160 Y N 1.695 121.954 120.300 -0.069 0.000 2.334 2160 Y HA 0.487 5.038 4.550 0.001 0.000 0.328 2160 Y C 1.417 177.323 175.900 0.011 0.000 1.130 2160 Y CA -0.537 57.553 58.100 -0.017 0.000 1.163 2160 Y CB 1.015 39.464 38.460 -0.019 0.000 1.207 2160 Y HN 0.647 nan 8.280 nan 0.000 0.471 2161 N N 1.985 120.816 118.700 0.218 0.000 2.727 2161 N HA -0.323 4.418 4.740 0.001 0.000 0.249 2161 N C -0.807 174.781 175.510 0.130 0.000 1.048 2161 N CA 0.994 54.131 53.050 0.145 0.000 0.714 2161 N CB -1.063 37.495 38.487 0.117 0.000 0.959 2161 N HN 0.888 nan 8.380 nan 0.000 0.544 2162 N N -0.251 118.532 118.700 0.139 0.000 2.446 2162 N HA 0.488 5.229 4.740 0.001 0.000 0.272 2162 N C -1.534 174.076 175.510 0.166 0.000 1.127 2162 N CA -0.517 52.623 53.050 0.150 0.000 0.896 2162 N CB 1.554 40.151 38.487 0.183 0.000 1.658 2162 N HN -0.012 nan 8.380 nan 0.000 0.483 2163 L N 2.347 123.646 121.223 0.127 0.000 2.386 2163 L HA 0.660 5.000 4.340 0.001 0.000 0.271 2163 L C -0.646 176.236 176.870 0.021 0.000 0.993 2163 L CA -0.984 53.907 54.840 0.085 0.000 0.819 2163 L CB 2.037 44.120 42.059 0.041 0.000 1.294 2163 L HN 0.277 nan 8.230 nan 0.000 0.414 2164 V N 3.507 123.393 119.914 -0.047 0.000 2.715 2164 V HA 0.543 4.664 4.120 0.001 0.000 0.310 2164 V C -0.640 175.346 176.094 -0.179 0.000 1.054 2164 V CA -0.487 61.696 62.300 -0.194 0.000 0.928 2164 V CB 2.536 34.072 31.823 -0.479 0.000 1.007 2164 V HN 0.417 nan 8.190 nan 0.000 0.437 2165 V N 5.195 124.987 119.914 -0.202 0.000 2.333 2165 V HA 0.364 4.485 4.120 0.001 0.000 0.274 2165 V C -0.282 175.596 176.094 -0.360 0.000 1.028 2165 V CA -0.454 61.650 62.300 -0.327 0.000 0.851 2165 V CB 1.352 32.887 31.823 -0.481 0.000 1.000 2165 V HN 0.913 nan 8.190 nan 0.000 0.456 2166 D N 4.077 124.295 120.400 -0.302 0.000 2.441 2166 D HA 0.250 4.890 4.640 0.001 0.000 0.221 2166 D C 0.676 176.858 176.300 -0.196 0.000 1.156 2166 D CA -0.385 53.511 54.000 -0.173 0.000 0.896 2166 D CB 0.600 41.327 40.800 -0.122 0.000 1.028 2166 D HN 0.398 nan 8.370 nan 0.000 0.509 2167 F N 1.944 121.856 119.950 -0.064 0.000 2.583 2167 F HA 0.000 4.528 4.527 0.001 0.000 0.297 2167 F C 2.222 177.991 175.800 -0.053 0.000 1.131 2167 F CA 0.428 58.387 58.000 -0.069 0.000 1.467 2167 F CB 0.035 38.978 39.000 -0.095 0.000 1.097 2167 F HN 0.277 nan 8.300 nan 0.000 0.586 2168 R N -0.255 120.300 120.500 0.092 0.000 2.189 2168 R HA -0.120 4.221 4.340 0.001 0.000 0.223 2168 R C 2.447 178.766 176.300 0.032 0.000 1.092 2168 R CA 1.244 57.385 56.100 0.068 0.000 0.989 2168 R CB -0.500 29.849 30.300 0.081 0.000 0.876 2168 R HN 0.346 nan 8.270 nan 0.000 0.457 2169 S N 0.574 116.263 115.700 -0.019 0.000 2.402 2169 S HA -0.104 4.367 4.470 0.001 0.000 0.229 2169 S C 1.847 176.418 174.600 -0.048 0.000 1.021 2169 S CA 0.707 58.874 58.200 -0.055 0.000 0.974 2169 S CB -0.140 62.990 63.200 -0.116 0.000 0.800 2169 S HN 0.060 nan 8.310 nan 0.000 0.484 2170 L N 2.743 123.952 121.223 -0.025 0.000 1.976 2170 L HA 0.043 4.383 4.340 0.001 0.000 0.209 2170 L C -0.374 176.451 176.870 -0.075 0.000 1.071 2170 L CA 1.898 56.721 54.840 -0.028 0.000 0.746 2170 L CB -1.610 40.462 42.059 0.021 0.000 0.890 2170 L HN 0.275 nan 8.230 nan 0.000 0.432 2171 P HA -0.128 nan 4.420 nan 0.000 0.221 2171 P C 2.009 179.214 177.300 -0.157 0.000 1.150 2171 P CA 1.489 64.531 63.100 -0.097 0.000 0.800 2171 P CB 0.110 31.780 31.700 -0.050 0.000 0.787 2172 I N -0.706 119.787 120.570 -0.129 0.000 2.202 2172 I HA -0.172 3.999 4.170 0.001 0.000 0.242 2172 I C 2.701 178.507 176.117 -0.518 0.000 1.091 2172 I CA 1.456 62.641 61.300 -0.192 0.000 1.368 2172 I CB -0.590 37.431 38.000 0.036 0.000 1.058 2172 I HN -0.156 nan 8.210 nan 0.000 0.410 2173 M N 0.151 119.546 119.600 -0.342 0.000 2.394 2173 M HA -0.144 4.336 4.480 0.001 0.000 0.264 2173 M C 2.098 178.039 176.300 -0.597 0.000 1.073 2173 M CA 1.094 56.140 55.300 -0.422 0.000 1.111 2173 M CB -0.323 32.250 32.600 -0.045 0.000 1.401 2173 M HN -0.011 nan 8.290 nan 0.000 0.448 2174 K N 1.149 121.308 120.400 -0.402 0.000 2.360 2174 K HA -0.128 4.193 4.320 0.001 0.000 0.201 2174 K C 1.638 178.023 176.600 -0.358 0.000 1.046 2174 K CA 1.371 57.485 56.287 -0.289 0.000 0.945 2174 K CB -0.140 32.248 32.500 -0.187 0.000 0.750 2174 K HN 0.430 nan 8.250 nan 0.000 0.464 2175 Q N -1.235 118.192 119.800 -0.622 0.000 2.224 2175 Q HA -0.123 4.217 4.340 0.001 0.000 0.203 2175 Q C 0.702 176.554 176.000 -0.247 0.000 0.970 2175 Q CA 1.634 57.145 55.803 -0.486 0.000 0.865 2175 Q CB -0.077 28.266 28.738 -0.659 0.000 0.922 2175 Q HN 0.645 nan 8.270 nan 0.000 0.445 2176 W N -2.076 119.228 121.300 0.007 0.000 2.534 2176 W HA 0.709 5.370 4.660 0.001 0.000 0.339 2176 W C -0.096 176.409 176.519 -0.023 0.000 0.961 2176 W CA -0.215 57.129 57.345 -0.002 0.000 1.545 2176 W CB 0.343 29.808 29.460 0.008 0.000 1.104 2176 W HN -0.092 nan 8.180 nan 0.000 0.538 2177 A N 0.683 123.555 122.820 0.087 0.000 2.586 2177 A HA 0.569 4.890 4.320 0.001 0.000 0.291 2177 A C -1.006 176.558 177.584 -0.033 0.000 1.062 2177 A CA -1.241 50.826 52.037 0.050 0.000 0.666 2177 A CB 0.887 19.971 19.000 0.140 0.000 1.281 2177 A HN 0.026 nan 8.150 nan 0.000 0.421 2178 K N 0.340 120.691 120.400 -0.082 0.000 2.326 2178 K HA 0.491 4.811 4.320 0.001 0.000 0.275 2178 K C -0.784 175.849 176.600 0.056 0.000 1.018 2178 K CA -0.162 56.101 56.287 -0.039 0.000 0.962 2178 K CB 1.114 33.549 32.500 -0.109 0.000 0.953 2178 K HN 0.372 nan 8.250 nan 0.000 0.475 2179 V N 4.666 124.614 119.914 0.057 0.000 2.459 2179 V HA 0.336 4.457 4.120 0.001 0.000 0.295 2179 V C -0.237 175.901 176.094 0.073 0.000 1.029 2179 V CA -0.900 61.435 62.300 0.059 0.000 0.874 2179 V CB 1.414 33.243 31.823 0.009 0.000 0.985 2179 V HN 0.575 nan 8.190 nan 0.000 0.438 2180 I N 4.278 124.886 120.570 0.063 0.000 2.441 2180 I HA 0.374 4.545 4.170 0.001 0.000 0.295 2180 I C -0.736 175.421 176.117 0.067 0.000 0.994 2180 I CA -0.841 60.477 61.300 0.031 0.000 1.144 2180 I CB 1.649 39.631 38.000 -0.030 0.000 1.314 2180 I HN 0.676 nan 8.210 nan 0.000 0.445 2181 Y N 5.120 125.424 120.300 0.007 0.000 2.328 2181 Y HA 0.319 4.869 4.550 0.001 0.000 0.337 2181 Y C -0.010 175.924 175.900 0.056 0.000 1.008 2181 Y CA -0.722 57.393 58.100 0.025 0.000 1.129 2181 Y CB 0.835 39.357 38.460 0.103 0.000 1.185 2181 Y HN 0.507 nan 8.280 nan 0.000 0.476 2182 D N 5.124 125.104 120.400 -0.699 0.000 2.365 2182 D HA 0.251 4.891 4.640 0.001 0.000 0.237 2182 D C 0.452 176.274 176.300 -0.797 0.000 1.190 2182 D CA 0.289 53.987 54.000 -0.504 0.000 0.867 2182 D CB 1.397 41.911 40.800 -0.476 0.000 1.050 2182 D HN 0.813 nan 8.370 nan 0.000 0.491 2183 A N 2.889 125.470 122.820 -0.398 0.000 2.067 2183 A HA -0.072 4.249 4.320 0.001 0.000 0.217 2183 A C 1.866 179.448 177.584 -0.003 0.000 1.156 2183 A CA 1.494 53.449 52.037 -0.136 0.000 0.683 2183 A CB -0.170 18.951 19.000 0.201 0.000 0.808 2183 A HN 0.615 nan 8.150 nan 0.000 0.455 2184 T N -4.283 110.269 114.554 -0.003 0.000 3.039 2184 T HA 0.056 4.407 4.350 0.001 0.000 0.250 2184 T C 1.486 176.084 174.700 -0.169 0.000 1.052 2184 T CA 1.143 63.202 62.100 -0.067 0.000 1.125 2184 T CB -0.432 68.367 68.868 -0.115 0.000 0.908 2184 T HN 0.538 nan 8.240 nan 0.000 0.473 2185 H N 0.883 119.913 119.070 -0.067 0.000 2.563 2185 H HA 0.420 4.976 4.556 0.001 0.000 0.264 2185 H C 2.202 177.470 175.328 -0.101 0.000 0.957 2185 H CA 0.621 56.614 56.048 -0.092 0.000 1.173 2185 H CB 0.193 29.856 29.762 -0.166 0.000 1.420 2185 H HN 0.280 nan 8.280 nan 0.000 0.551 2186 S N 0.100 115.786 115.700 -0.024 0.000 2.522 2186 S HA -0.063 4.407 4.470 0.001 0.000 0.227 2186 S C 1.931 176.552 174.600 0.035 0.000 0.986 2186 S CA 0.965 59.146 58.200 -0.032 0.000 0.929 2186 S CB 0.067 63.223 63.200 -0.074 0.000 0.769 2186 S HN 0.468 nan 8.310 nan 0.000 0.529 2187 V N -0.217 119.737 119.914 0.066 0.000 3.645 2187 V HA 0.216 4.336 4.120 0.001 0.000 0.275 2187 V C 0.693 176.846 176.094 0.098 0.000 1.356 2187 V CA -0.403 61.963 62.300 0.110 0.000 1.051 2187 V CB -0.669 31.274 31.823 0.200 0.000 0.828 2187 V HN 0.479 nan 8.190 nan 0.000 0.441 2202 E N 0.290 120.349 120.200 -0.236 0.000 2.333 2202 E HA -0.126 4.224 4.350 0.001 0.000 0.198 2202 E C 0.340 176.707 176.600 -0.387 0.000 1.007 2202 E CA 1.113 57.287 56.400 -0.376 0.000 0.845 2202 E CB -0.066 29.269 29.700 -0.609 0.000 0.766 2202 E HN 0.355 nan 8.360 nan 0.000 0.507 2203 F N 0.600 120.603 119.950 0.088 0.000 2.749 2203 F HA 0.323 4.851 4.527 0.001 0.000 0.300 2203 F C 1.799 177.689 175.800 0.151 0.000 1.103 2203 F CA -0.504 57.559 58.000 0.105 0.000 1.342 2203 F CB -0.049 39.006 39.000 0.092 0.000 1.098 2203 F HN -0.062 nan 8.300 nan 0.000 0.586 2204 I N -0.367 120.363 120.570 0.267 0.000 2.099 2204 I HA -0.372 3.798 4.170 0.001 0.000 0.239 2204 I C 2.541 178.867 176.117 0.348 0.000 1.066 2204 I CA 1.909 63.367 61.300 0.264 0.000 1.324 2204 I CB -0.554 37.540 38.000 0.156 0.000 1.037 2204 I HN 0.143 nan 8.210 nan 0.000 0.401 2205 F N 1.898 121.916 119.950 0.113 0.000 2.102 2205 F HA -0.151 4.376 4.527 0.001 0.000 0.298 2205 F C -0.320 175.537 175.800 0.094 0.000 1.105 2205 F CA 1.175 59.230 58.000 0.092 0.000 1.239 2205 F CB -1.028 38.002 39.000 0.050 0.000 0.991 2205 F HN 0.014 nan 8.300 nan 0.000 0.474 2206 P HA -0.216 nan 4.420 nan 0.000 0.215 2206 P C 1.731 179.066 177.300 0.059 0.000 1.157 2206 P CA 1.654 64.769 63.100 0.025 0.000 0.874 2206 P CB -0.098 31.666 31.700 0.107 0.000 0.790 2207 L N -1.588 119.751 121.223 0.194 0.000 2.156 2207 L HA -0.085 4.255 4.340 0.001 0.000 0.208 2207 L C 2.433 179.372 176.870 0.116 0.000 1.095 2207 L CA 0.947 55.911 54.840 0.207 0.000 0.770 2207 L CB -0.611 41.695 42.059 0.411 0.000 0.914 2207 L HN -0.026 nan 8.230 nan 0.000 0.439 2208 I N -0.140 120.594 120.570 0.273 0.000 2.315 2208 I HA -0.258 3.912 4.170 0.001 0.000 0.248 2208 I C 2.802 178.987 176.117 0.113 0.000 1.117 2208 I CA 1.062 62.529 61.300 0.279 0.000 1.404 2208 I CB -0.033 38.217 38.000 0.417 0.000 1.071 2208 I HN 0.214 nan 8.210 nan 0.000 0.419 2209 R N 0.684 121.230 120.500 0.076 0.000 2.081 2209 R HA -0.162 4.178 4.340 0.001 0.000 0.235 2209 R C 2.344 178.560 176.300 -0.140 0.000 1.131 2209 R CA 1.507 57.581 56.100 -0.043 0.000 0.960 2209 R CB -0.564 29.632 30.300 -0.173 0.000 0.856 2209 R HN 0.439 nan 8.270 nan 0.000 0.436 2210 A N 1.425 124.094 122.820 -0.252 0.000 1.902 2210 A HA -0.115 4.205 4.320 0.001 0.000 0.217 2210 A C 2.420 179.695 177.584 -0.515 0.000 1.181 2210 A CA 1.677 53.410 52.037 -0.507 0.000 0.623 2210 A CB -0.617 17.847 19.000 -0.894 0.000 0.818 2210 A HN 0.395 nan 8.150 nan 0.000 0.443 2211 A N -0.018 122.587 122.820 -0.359 0.000 1.883 2211 A HA -0.076 4.244 4.320 0.001 0.000 0.217 2211 A C 2.317 179.872 177.584 -0.048 0.000 1.186 2211 A CA 2.510 54.455 52.037 -0.153 0.000 0.624 2211 A CB -1.283 17.520 19.000 -0.330 0.000 0.822 2211 A HN 1.179 nan 8.150 nan 0.000 0.444 2212 V N -2.906 117.004 119.914 -0.007 0.000 2.719 2212 V HA 0.128 4.249 4.120 0.001 0.000 0.252 2212 V C 2.430 178.581 176.094 0.094 0.000 1.065 2212 V CA 1.524 63.855 62.300 0.051 0.000 1.086 2212 V CB -1.212 30.620 31.823 0.015 0.000 0.700 2212 V HN 0.499 nan 8.190 nan 0.000 0.467 2213 A N 0.464 123.289 122.820 0.009 0.000 1.929 2213 A HA 0.007 4.327 4.320 0.001 0.000 0.216 2213 A C 2.324 179.972 177.584 0.105 0.000 1.176 2213 A CA 1.890 53.958 52.037 0.051 0.000 0.628 2213 A CB -0.632 18.327 19.000 -0.069 0.000 0.816 2213 A HN 0.414 nan 8.150 nan 0.000 0.444 2214 V N -0.840 119.051 119.914 -0.039 0.000 2.323 2214 V HA 0.271 4.392 4.120 0.001 0.000 0.244 2214 V C 1.325 177.311 176.094 -0.178 0.000 1.041 2214 V CA 1.416 63.681 62.300 -0.057 0.000 1.025 2214 V CB -1.129 30.651 31.823 -0.072 0.000 0.656 2214 V HN 1.229 nan 8.190 nan 0.000 0.451 2215 G N -0.340 108.270 108.800 -0.318 0.000 3.313 2215 G HA2 0.119 4.079 3.960 0.001 0.000 0.659 2215 G HA3 0.119 4.079 3.960 0.001 0.000 0.659 2215 G C -0.785 173.902 174.900 -0.356 0.000 1.286 2215 G CA -0.646 43.952 45.100 -0.837 0.000 1.077 2215 G HN 1.025 nan 8.290 nan 0.000 0.551 2216 C N 0.369 119.580 119.300 -0.149 0.000 3.291 2216 C HA 0.865 5.326 4.460 0.001 0.000 0.316 2216 C C 0.552 175.642 174.990 0.166 0.000 1.391 2216 C CA -0.556 58.483 59.018 0.036 0.000 1.394 2216 C CB 1.910 29.730 27.740 0.133 0.000 1.744 2216 C HN 0.642 nan 8.230 nan 0.000 0.461 2217 D N 0.361 120.812 120.400 0.085 0.000 2.350 2217 D HA 0.389 5.029 4.640 0.001 0.000 0.213 2217 D C 0.790 176.915 176.300 -0.292 0.000 1.031 2217 D CA 1.320 55.349 54.000 0.047 0.000 0.861 2217 D CB 0.902 41.742 40.800 0.066 0.000 0.926 2217 D HN 1.093 nan 8.370 nan 0.000 0.520 2218 G N -0.424 108.114 108.800 -0.436 0.000 2.356 2218 G HA2 0.391 4.352 3.960 0.001 0.000 0.294 2218 G HA3 0.391 4.352 3.960 0.001 0.000 0.294 2218 G C -1.848 172.830 174.900 -0.369 0.000 1.423 2218 G CA -0.543 44.001 45.100 -0.926 0.000 0.806 2218 G HN -0.052 nan 8.290 nan 0.000 0.527 2219 V N 0.181 119.911 119.914 -0.307 0.000 2.789 2219 V HA 0.739 4.859 4.120 0.001 0.000 0.311 2219 V C -1.318 174.787 176.094 0.018 0.000 1.073 2219 V CA -0.714 61.612 62.300 0.043 0.000 0.921 2219 V CB 1.959 33.916 31.823 0.223 0.000 1.009 2219 V HN 0.822 nan 8.190 nan 0.000 0.426 2220 F N 6.502 126.390 119.950 -0.103 0.000 2.467 2220 F HA 0.852 5.380 4.527 0.001 0.000 0.336 2220 F C -0.326 175.421 175.800 -0.088 0.000 1.123 2220 F CA -0.831 57.094 58.000 -0.124 0.000 0.964 2220 F CB 1.484 40.392 39.000 -0.154 0.000 1.136 2220 F HN 0.533 nan 8.300 nan 0.000 0.447 2221 M N 4.329 123.777 119.600 -0.254 0.000 2.322 2221 M HA 0.494 4.975 4.480 0.001 0.000 0.286 2221 M C -1.803 174.339 176.300 -0.262 0.000 1.111 2221 M CA -0.723 54.505 55.300 -0.120 0.000 0.941 2221 M CB 2.336 34.908 32.600 -0.047 0.000 1.671 2221 M HN 0.452 nan 8.290 nan 0.000 0.470 2222 E N 1.845 121.964 120.200 -0.135 0.000 2.289 2222 E HA 0.441 4.792 4.350 0.001 0.000 0.278 2222 E C -0.677 175.867 176.600 -0.092 0.000 1.032 2222 E CA -0.291 56.029 56.400 -0.133 0.000 0.854 2222 E CB 1.951 31.629 29.700 -0.038 0.000 1.046 2222 E HN 0.655 nan 8.360 nan 0.000 0.409 2223 T N 2.423 116.922 114.554 -0.092 0.000 2.893 2223 T HA 0.237 4.588 4.350 0.001 0.000 0.293 2223 T C -1.594 173.123 174.700 0.028 0.000 1.027 2223 T CA -0.662 61.415 62.100 -0.038 0.000 0.988 2223 T CB 1.125 69.953 68.868 -0.066 0.000 1.043 2223 T HN 0.469 nan 8.240 nan 0.000 0.461 2224 H N 3.929 122.968 119.070 -0.051 0.000 2.894 2224 H HA 0.371 4.928 4.556 0.001 0.000 0.367 2224 H C -2.504 172.810 175.328 -0.024 0.000 1.144 2224 H CA -1.737 54.293 56.048 -0.030 0.000 1.180 2224 H CB 2.638 32.383 29.762 -0.028 0.000 1.758 2224 H HN 0.322 nan 8.280 nan 0.000 0.541 2225 P HA -0.128 nan 4.420 nan 0.000 0.216 2225 P C -0.595 176.825 177.300 0.199 0.000 1.157 2225 P CA 1.632 64.758 63.100 0.043 0.000 0.880 2225 P CB 0.379 32.030 31.700 -0.082 0.000 0.791 2226 E N -2.466 118.025 120.200 0.485 0.000 3.108 2226 E HA 0.154 4.504 4.350 0.001 0.000 0.228 2226 E C -2.165 174.405 176.600 -0.050 0.000 1.176 2226 E CA -1.622 54.895 56.400 0.196 0.000 0.881 2226 E CB 1.015 30.794 29.700 0.131 0.000 1.354 2226 E HN 0.095 nan 8.360 nan 0.000 0.400 2227 P HA -0.322 nan 4.420 nan 0.000 0.218 2227 P C 1.279 178.431 177.300 -0.248 0.000 1.154 2227 P CA 1.593 64.548 63.100 -0.240 0.000 0.872 2227 P CB 0.186 31.834 31.700 -0.086 0.000 0.790 2228 E N 0.304 120.419 120.200 -0.143 0.000 2.153 2228 E HA -0.197 4.154 4.350 0.001 0.000 0.194 2228 E C 1.350 177.872 176.600 -0.129 0.000 0.988 2228 E CA 1.175 57.510 56.400 -0.108 0.000 0.811 2228 E CB -0.697 28.968 29.700 -0.060 0.000 0.746 2228 E HN 0.259 nan 8.360 nan 0.000 0.466 2229 K N 0.670 120.973 120.400 -0.162 0.000 2.404 2229 K HA 0.258 4.579 4.320 0.001 0.000 0.194 2229 K C 0.444 176.910 176.600 -0.223 0.000 1.023 2229 K CA 0.133 56.339 56.287 -0.134 0.000 1.094 2229 K CB 0.598 33.072 32.500 -0.043 0.000 0.841 2229 K HN 0.147 nan 8.250 nan 0.000 0.523 2230 A N 1.022 123.588 122.820 -0.424 0.000 2.425 2230 A HA 0.106 4.427 4.320 0.001 0.000 0.242 2230 A C 0.826 178.281 177.584 -0.215 0.000 1.077 2230 A CA -0.070 51.704 52.037 -0.440 0.000 0.781 2230 A CB 0.157 18.842 19.000 -0.526 0.000 1.020 2230 A HN 0.284 nan 8.150 nan 0.000 0.494 2231 L N 0.934 122.035 121.223 -0.203 0.000 2.611 2231 L HA 0.195 4.536 4.340 0.001 0.000 0.229 2231 L C 0.820 177.670 176.870 -0.032 0.000 1.137 2231 L CA 0.515 55.213 54.840 -0.238 0.000 0.901 2231 L CB -0.195 41.419 42.059 -0.742 0.000 1.098 2231 L HN 0.644 nan 8.230 nan 0.000 0.456 2232 S N -0.690 115.010 115.700 -0.000 0.000 2.542 2232 S HA 0.230 4.700 4.470 0.001 0.000 0.276 2232 S C -1.029 173.579 174.600 0.015 0.000 1.148 2232 S CA -0.705 57.538 58.200 0.072 0.000 0.886 2232 S CB 0.993 64.296 63.200 0.172 0.000 1.109 2232 S HN 0.285 nan 8.310 nan 0.000 0.458 2233 D N 1.702 122.109 120.400 0.012 0.000 2.686 2233 D HA -0.185 4.455 4.640 0.001 0.000 0.235 2233 D C 1.020 177.284 176.300 -0.060 0.000 1.160 2233 D CA 0.995 54.977 54.000 -0.029 0.000 0.645 2233 D CB -1.182 39.583 40.800 -0.058 0.000 1.039 2233 D HN 0.711 nan 8.370 nan 0.000 0.423 2234 A N -0.516 122.266 122.820 -0.063 0.000 2.121 2234 A HA -0.068 4.252 4.320 0.001 0.000 0.218 2234 A C 2.237 179.779 177.584 -0.070 0.000 1.154 2234 A CA 1.407 53.387 52.037 -0.095 0.000 0.679 2234 A CB 0.187 19.131 19.000 -0.093 0.000 0.795 2234 A HN 0.274 nan 8.150 nan 0.000 0.458 2235 S N -1.126 114.547 115.700 -0.046 0.000 2.548 2235 S HA 0.011 4.482 4.470 0.001 0.000 0.215 2235 S C 1.574 176.156 174.600 -0.031 0.000 0.976 2235 S CA 1.076 59.258 58.200 -0.030 0.000 0.908 2235 S CB 0.114 63.309 63.200 -0.009 0.000 0.781 2235 S HN 0.877 nan 8.310 nan 0.000 0.519 2236 T N -1.757 112.766 114.554 -0.051 0.000 2.969 2236 T HA 0.247 4.597 4.350 0.001 0.000 0.258 2236 T C 0.359 175.017 174.700 -0.071 0.000 0.962 2236 T CA -0.304 61.760 62.100 -0.059 0.000 0.903 2236 T CB -0.034 68.777 68.868 -0.094 0.000 1.177 2236 T HN 0.088 nan 8.240 nan 0.000 0.511 2237 Q N 1.397 121.153 119.800 -0.073 0.000 2.311 2237 Q HA 0.339 4.680 4.340 0.001 0.000 0.272 2237 Q C -0.757 175.222 176.000 -0.034 0.000 1.012 2237 Q CA -0.394 55.377 55.803 -0.055 0.000 0.891 2237 Q CB 0.956 29.673 28.738 -0.036 0.000 1.201 2237 Q HN 0.319 nan 8.270 nan 0.000 0.391 2238 L N 6.218 127.421 121.223 -0.032 0.000 2.410 2238 L HA 0.207 4.548 4.340 0.001 0.000 0.273 2238 L C -2.306 174.555 176.870 -0.014 0.000 1.152 2238 L CA -1.350 53.472 54.840 -0.030 0.000 0.855 2238 L CB 0.584 42.616 42.059 -0.046 0.000 1.129 2238 L HN 0.405 nan 8.230 nan 0.000 0.463 2239 P HA -0.002 nan 4.420 nan 0.000 0.267 2239 P C 0.944 178.239 177.300 -0.008 0.000 1.205 2239 P CA 0.062 63.164 63.100 0.004 0.000 0.765 2239 P CB 0.596 32.293 31.700 -0.005 0.000 0.828 2240 L N 2.912 124.137 121.223 0.002 0.000 2.089 2240 L HA -0.275 4.065 4.340 0.001 0.000 0.213 2240 L C 2.042 178.900 176.870 -0.021 0.000 1.079 2240 L CA 2.486 57.316 54.840 -0.017 0.000 0.758 2240 L CB -0.600 41.445 42.059 -0.023 0.000 0.891 2240 L HN 0.452 nan 8.230 nan 0.000 0.433 2241 S N -1.656 114.035 115.700 -0.014 0.000 2.474 2241 S HA -0.218 4.253 4.470 0.001 0.000 0.235 2241 S C 1.608 176.196 174.600 -0.020 0.000 0.997 2241 S CA 0.809 59.001 58.200 -0.013 0.000 0.949 2241 S CB -0.175 63.021 63.200 -0.007 0.000 0.766 2241 S HN 0.567 nan 8.310 nan 0.000 0.517 2242 Q N -0.258 119.520 119.800 -0.037 0.000 2.408 2242 Q HA 0.304 4.644 4.340 0.001 0.000 0.205 2242 Q C 1.753 177.695 176.000 -0.097 0.000 0.919 2242 Q CA 0.000 55.762 55.803 -0.069 0.000 0.932 2242 Q CB -0.115 28.571 28.738 -0.087 0.000 1.058 2242 Q HN 0.434 nan 8.270 nan 0.000 0.517 2243 L N 1.563 122.747 121.223 -0.064 0.000 2.012 2243 L HA -0.230 4.111 4.340 0.001 0.000 0.210 2243 L C 2.161 179.005 176.870 -0.043 0.000 1.073 2243 L CA 1.982 56.787 54.840 -0.059 0.000 0.748 2243 L CB -0.410 41.634 42.059 -0.026 0.000 0.891 2243 L HN 0.220 nan 8.230 nan 0.000 0.431 2244 E N -0.998 119.211 120.200 0.015 0.000 2.058 2244 E HA -0.224 4.127 4.350 0.001 0.000 0.194 2244 E C 2.071 178.700 176.600 0.049 0.000 0.997 2244 E CA 1.262 57.719 56.400 0.095 0.000 0.801 2244 E CB -0.516 29.280 29.700 0.160 0.000 0.746 2244 E HN 0.626 nan 8.360 nan 0.000 0.450 2245 G N 1.252 110.054 108.800 0.004 0.000 2.440 2245 G HA2 -0.253 3.708 3.960 0.001 0.000 0.218 2245 G HA3 -0.253 3.708 3.960 0.001 0.000 0.218 2245 G C 1.611 176.455 174.900 -0.094 0.000 1.154 2245 G CA 0.957 46.049 45.100 -0.013 0.000 0.767 2245 G HN 0.265 nan 8.290 nan 0.000 0.552 2246 I N 0.359 120.777 120.570 -0.252 0.000 2.252 2246 I HA -0.106 4.064 4.170 0.001 0.000 0.245 2246 I C 2.656 178.688 176.117 -0.142 0.000 1.102 2246 I CA 0.709 61.776 61.300 -0.388 0.000 1.385 2246 I CB -0.178 37.521 38.000 -0.502 0.000 1.064 2246 I HN 0.162 nan 8.210 nan 0.000 0.414 2247 I N 0.602 121.076 120.570 -0.160 0.000 2.179 2247 I HA -0.285 3.886 4.170 0.001 0.000 0.242 2247 I C 2.626 178.588 176.117 -0.258 0.000 1.088 2247 I CA 1.325 62.481 61.300 -0.241 0.000 1.357 2247 I CB -0.295 37.445 38.000 -0.433 0.000 1.051 2247 I HN 0.212 nan 8.210 nan 0.000 0.409 2248 E N 1.555 121.656 120.200 -0.165 0.000 2.077 2248 E HA -0.211 4.140 4.350 0.001 0.000 0.193 2248 E C 2.071 178.700 176.600 0.048 0.000 0.989 2248 E CA 1.783 58.203 56.400 0.033 0.000 0.800 2248 E CB -0.201 29.620 29.700 0.202 0.000 0.746 2248 E HN 0.413 nan 8.360 nan 0.000 0.452 2249 A N 1.209 124.078 122.820 0.081 0.000 1.877 2249 A HA -0.133 4.187 4.320 0.001 0.000 0.216 2249 A C 2.386 180.027 177.584 0.095 0.000 1.186 2249 A CA 1.815 53.945 52.037 0.156 0.000 0.620 2249 A CB -1.023 18.221 19.000 0.407 0.000 0.822 2249 A HN 0.526 nan 8.150 nan 0.000 0.443 2250 I N -2.780 117.828 120.570 0.064 0.000 2.493 2250 I HA -0.118 4.052 4.170 0.001 0.000 0.254 2250 I C 2.083 178.105 176.117 -0.159 0.000 1.160 2250 I CA 1.089 62.378 61.300 -0.019 0.000 1.445 2250 I CB -0.449 37.555 38.000 0.006 0.000 1.086 2250 I HN 0.193 nan 8.210 nan 0.000 0.433 2251 L N 1.084 122.217 121.223 -0.150 0.000 2.056 2251 L HA -0.118 4.222 4.340 0.001 0.000 0.207 2251 L C 2.692 179.508 176.870 -0.089 0.000 1.078 2251 L CA 1.507 56.250 54.840 -0.162 0.000 0.749 2251 L CB -0.524 41.492 42.059 -0.073 0.000 0.901 2251 L HN 0.266 nan 8.230 nan 0.000 0.433 2252 E N 0.348 120.529 120.200 -0.031 0.000 2.051 2252 E HA -0.209 4.142 4.350 0.001 0.000 0.192 2252 E C 2.265 178.844 176.600 -0.036 0.000 0.991 2252 E CA 1.222 57.614 56.400 -0.015 0.000 0.799 2252 E CB -0.075 29.635 29.700 0.017 0.000 0.748 2252 E HN 0.437 nan 8.360 nan 0.000 0.449 2253 I N 0.815 121.363 120.570 -0.037 0.000 2.179 2253 I HA -0.288 3.882 4.170 0.001 0.000 0.242 2253 I C 2.746 178.830 176.117 -0.055 0.000 1.088 2253 I CA 1.104 62.380 61.300 -0.039 0.000 1.357 2253 I CB -0.260 37.722 38.000 -0.031 0.000 1.051 2253 I HN 0.046 nan 8.210 nan 0.000 0.409 2254 R N 1.003 121.448 120.500 -0.091 0.000 2.091 2254 R HA -0.235 4.105 4.340 0.001 0.000 0.238 2254 R C 2.362 178.576 176.300 -0.142 0.000 1.136 2254 R CA 1.674 57.716 56.100 -0.098 0.000 0.959 2254 R CB -0.280 29.876 30.300 -0.241 0.000 0.856 2254 R HN 0.269 nan 8.270 nan 0.000 0.437 2255 E N 0.320 120.448 120.200 -0.120 0.000 2.070 2255 E HA -0.166 4.185 4.350 0.001 0.000 0.197 2255 E C 1.865 178.386 176.600 -0.132 0.000 1.004 2255 E CA 1.814 58.147 56.400 -0.111 0.000 0.805 2255 E CB -0.030 29.630 29.700 -0.067 0.000 0.744 2255 E HN 0.292 nan 8.360 nan 0.000 0.451 2256 V N 0.902 120.757 119.914 -0.098 0.000 2.407 2256 V HA -0.141 3.980 4.120 0.001 0.000 0.245 2256 V C 2.521 178.563 176.094 -0.087 0.000 1.041 2256 V CA 1.612 63.867 62.300 -0.075 0.000 1.040 2256 V CB -0.706 31.104 31.823 -0.022 0.000 0.671 2256 V HN 0.335 nan 8.190 nan 0.000 0.455 2257 A N 0.799 123.559 122.820 -0.099 0.000 1.968 2257 A HA -0.144 4.176 4.320 0.001 0.000 0.217 2257 A C 2.487 179.757 177.584 -0.523 0.000 1.169 2257 A CA 1.683 53.671 52.037 -0.083 0.000 0.638 2257 A CB -0.673 18.349 19.000 0.037 0.000 0.812 2257 A HN 0.664 nan 8.150 nan 0.000 0.446 2258 S N 0.472 115.634 115.700 -0.898 0.000 2.420 2258 S HA -0.277 4.194 4.470 0.001 0.000 0.237 2258 S C 1.835 175.955 174.600 -0.801 0.000 1.023 2258 S CA 1.685 59.005 58.200 -1.467 0.000 0.991 2258 S CB -0.462 62.323 63.200 -0.692 0.000 0.792 2258 S HN 0.667 nan 8.310 nan 0.000 0.488 2259 K N 0.515 120.563 120.400 -0.587 0.000 2.152 2259 K HA -0.135 4.186 4.320 0.001 0.000 0.206 2259 K C 0.931 177.135 176.600 -0.660 0.000 1.048 2259 K CA 1.452 57.368 56.287 -0.619 0.000 0.933 2259 K CB -0.238 31.782 32.500 -0.799 0.000 0.721 2259 K HN 0.647 nan 8.250 nan 0.000 0.447 2260 Y N -0.801 119.390 120.300 -0.181 0.000 2.458 2260 Y HA 0.126 4.677 4.550 0.001 0.000 0.256 2260 Y C -0.232 175.719 175.900 0.084 0.000 1.159 2260 Y CA -0.990 57.082 58.100 -0.047 0.000 1.261 2260 Y CB 0.190 38.633 38.460 -0.028 0.000 1.119 2260 Y HN -0.133 nan 8.280 nan 0.000 0.524 2261 Y N 2.199 122.540 120.300 0.067 0.000 2.717 2261 Y HA 0.047 4.597 4.550 0.001 0.000 0.330 2261 Y C 0.685 176.604 175.900 0.031 0.000 1.217 2261 Y CA -0.967 57.160 58.100 0.044 0.000 1.506 2261 Y CB -0.133 38.341 38.460 0.022 0.000 1.268 2261 Y HN 0.124 nan 8.280 nan 0.000 0.561 2262 E N 0.843 121.152 120.200 0.182 0.000 2.392 2262 E HA 0.101 4.451 4.350 0.001 0.000 0.264 2262 E C -0.103 176.538 176.600 0.068 0.000 1.024 2262 E CA 0.021 56.479 56.400 0.097 0.000 0.903 2262 E CB 0.247 29.982 29.700 0.057 0.000 0.963 2262 E HN 0.420 nan 8.360 nan 0.000 0.432 2263 T N 4.305 118.888 114.554 0.048 0.000 2.784 2263 T HA 0.130 4.481 4.350 0.001 0.000 0.291 2263 T C 0.947 175.653 174.700 0.009 0.000 0.942 2263 T CA -0.101 62.017 62.100 0.031 0.000 1.161 2263 T CB -0.315 68.567 68.868 0.024 0.000 0.885 2263 T HN 0.555 nan 8.240 nan 0.000 0.534 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 61.282 61.300 -0.030 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