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 1sfn_1_B DATA FIRST_RESID 2001 DATA SEQUENCE MKHLGQTRSA LHGSHAVITP ETFVRTALAE WPGSAIVLHI APVVGLGARF DATA SEQUENCE VQFTAEMPAG AQATESVYQR FAFVLSGEVD VAVGGETRTL REYDYVYLPA DATA SEQUENCE GEKHMLTAKT DARVSVFEKP YQTVEGVQAP GVYWGNEREN PGYPFEGDDH DATA SEQUENCE LIARKLLPDE PAFDFMVSTM SFAPGASLPY AEVHYMEHGL LMLEGEGLYK DATA SEQUENCE LEENYYPVTA GDIIWMGAHC PQWYGALGRN WSKYLLYKDM NRHPL 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 2001 M HA 0.000 nan 4.480 nan 0.000 0.227 2001 M C 0.000 176.290 176.300 -0.016 0.000 1.140 2001 M CA 0.000 55.341 55.300 0.069 0.000 0.988 2001 M CB 0.000 32.607 32.600 0.011 0.000 1.302 2002 K N 0.404 120.858 120.400 0.089 0.000 2.280 2002 K HA 0.006 4.326 4.320 0.000 0.000 0.202 2002 K C 1.592 178.219 176.600 0.044 0.000 1.047 2002 K CA 1.781 58.097 56.287 0.048 0.000 0.942 2002 K CB -0.735 31.799 32.500 0.056 0.000 0.739 2002 K HN 0.679 nan 8.250 nan 0.000 0.457 2003 H N -0.523 118.547 119.070 0.000 0.000 2.563 2003 H HA 0.036 4.592 4.556 0.000 0.000 0.272 2003 H C 0.817 176.146 175.328 0.002 0.000 1.005 2003 H CA 0.687 56.736 56.048 0.001 0.000 1.171 2003 H CB -0.178 29.585 29.762 0.001 0.000 1.351 2003 H HN 0.163 nan 8.280 nan 0.000 0.602 2004 L N 0.046 121.053 121.223 -0.360 0.000 2.910 2004 L HA 0.323 4.663 4.340 0.000 0.000 0.252 2004 L C 1.126 177.925 176.870 -0.118 0.000 1.195 2004 L CA 0.288 54.981 54.840 -0.244 0.000 1.003 2004 L CB 0.713 42.583 42.059 -0.315 0.000 1.328 2004 L HN 0.521 nan 8.230 nan 0.000 0.540 2005 G N 0.368 109.122 108.800 -0.076 0.000 2.159 2005 G HA2 -0.284 3.676 3.960 0.000 0.000 0.227 2005 G HA3 -0.284 3.676 3.960 0.000 0.000 0.227 2005 G C 0.154 175.038 174.900 -0.025 0.000 0.986 2005 G CA -0.060 45.019 45.100 -0.036 0.000 0.651 2005 G HN 0.416 nan 8.290 nan 0.000 0.523 2006 Q N 1.056 120.834 119.800 -0.036 0.000 2.267 2006 Q HA 0.603 4.943 4.340 0.000 0.000 0.255 2006 Q C 0.231 176.232 176.000 0.001 0.000 0.923 2006 Q CA 0.598 56.392 55.803 -0.016 0.000 0.925 2006 Q CB 0.792 29.516 28.738 -0.024 0.000 1.195 2006 Q HN 0.709 nan 8.270 nan 0.000 0.417 2007 T N 0.462 115.026 114.554 0.017 0.000 2.786 2007 T HA 0.402 4.752 4.350 0.000 0.000 0.316 2007 T C -0.022 174.708 174.700 0.049 0.000 1.503 2007 T CA -1.004 61.110 62.100 0.023 0.000 1.019 2007 T CB 1.082 69.962 68.868 0.019 0.000 1.415 2007 T HN 0.726 nan 8.240 nan 0.000 0.496 2008 R N 0.242 120.775 120.500 0.056 0.000 2.359 2008 R HA 0.337 4.677 4.340 0.000 0.000 0.231 2008 R C 0.358 176.742 176.300 0.139 0.000 0.913 2008 R CA -0.297 55.864 56.100 0.102 0.000 1.075 2008 R CB 0.312 30.667 30.300 0.092 0.000 1.087 2008 R HN 0.518 nan 8.270 nan 0.000 0.515 2009 S N 0.701 116.459 115.700 0.097 0.000 2.617 2009 S HA 0.629 5.099 4.470 0.000 0.000 0.269 2009 S C -0.112 174.577 174.600 0.149 0.000 1.292 2009 S CA -0.499 57.759 58.200 0.097 0.000 1.010 2009 S CB 1.666 64.900 63.200 0.056 0.000 0.944 2009 S HN 0.380 nan 8.310 nan 0.000 0.536 2010 A N 1.827 124.735 122.820 0.147 0.000 2.555 2010 A HA 0.576 4.896 4.320 0.000 0.000 0.297 2010 A C -1.595 176.088 177.584 0.164 0.000 1.060 2010 A CA -0.566 51.597 52.037 0.210 0.000 0.710 2010 A CB 1.054 20.311 19.000 0.427 0.000 1.282 2010 A HN 0.648 nan 8.150 nan 0.000 0.399 2011 L N 2.291 123.589 121.223 0.125 0.000 2.334 2011 L HA 0.906 5.246 4.340 0.000 0.000 0.276 2011 L C -1.062 175.796 176.870 -0.020 0.000 1.014 2011 L CA -0.039 54.839 54.840 0.063 0.000 0.815 2011 L CB 1.489 43.546 42.059 -0.004 0.000 1.268 2011 L HN 0.984 nan 8.230 nan 0.000 0.428 2012 H N 1.423 120.417 119.070 -0.126 0.000 2.966 2012 H HA 0.447 5.003 4.556 0.000 0.000 0.330 2012 H C 0.834 176.172 175.328 0.016 0.000 1.292 2012 H CA 0.143 56.100 56.048 -0.153 0.000 1.127 2012 H CB 1.842 31.309 29.762 -0.492 0.000 1.863 2012 H HN 0.643 nan 8.280 nan 0.000 0.543 2013 G N -0.496 108.397 108.800 0.156 0.000 2.422 2013 G HA2 -0.180 3.780 3.960 0.000 0.000 0.218 2013 G HA3 -0.180 3.780 3.960 0.000 0.000 0.218 2013 G C 0.684 175.757 174.900 0.289 0.000 1.146 2013 G CA 1.247 46.457 45.100 0.183 0.000 0.769 2013 G HN 0.434 nan 8.290 nan 0.000 0.547 2014 S N -0.709 115.108 115.700 0.196 0.000 2.701 2014 S HA 0.311 4.781 4.470 0.000 0.000 0.242 2014 S C -0.261 174.189 174.600 -0.250 0.000 1.025 2014 S CA -0.185 58.031 58.200 0.027 0.000 1.016 2014 S CB 0.356 63.582 63.200 0.042 0.000 0.977 2014 S HN 0.882 nan 8.310 nan 0.000 0.546 2015 H N -1.474 117.551 119.070 -0.075 0.000 3.037 2015 H HA 0.797 5.353 4.556 0.000 0.000 0.336 2015 H C -1.220 174.206 175.328 0.163 0.000 1.323 2015 H CA -0.875 55.066 56.048 -0.179 0.000 1.159 2015 H CB 0.658 30.253 29.762 -0.279 0.000 1.882 2015 H HN 0.031 nan 8.280 nan 0.000 0.535 2016 A N 1.505 124.470 122.820 0.242 0.000 2.517 2016 A HA 0.589 4.909 4.320 0.000 0.000 0.297 2016 A C -1.705 175.902 177.584 0.039 0.000 1.050 2016 A CA -0.534 51.602 52.037 0.166 0.000 0.694 2016 A CB 1.662 20.821 19.000 0.265 0.000 1.277 2016 A HN 0.630 nan 8.150 nan 0.000 0.400 2017 V N 3.315 123.198 119.914 -0.052 0.000 2.357 2017 V HA 0.433 4.553 4.120 0.000 0.000 0.284 2017 V C -0.414 175.678 176.094 -0.003 0.000 1.018 2017 V CA -0.097 62.140 62.300 -0.104 0.000 0.841 2017 V CB 0.989 32.690 31.823 -0.203 0.000 0.991 2017 V HN 0.672 nan 8.190 nan 0.000 0.437 2018 I N 5.084 125.661 120.570 0.012 0.000 2.354 2018 I HA 0.405 4.575 4.170 0.000 0.000 0.286 2018 I C 0.505 176.648 176.117 0.044 0.000 1.007 2018 I CA -0.257 61.082 61.300 0.065 0.000 1.167 2018 I CB 1.908 39.978 38.000 0.117 0.000 1.320 2018 I HN 0.653 nan 8.210 nan 0.000 0.458 2019 T N 2.364 116.898 114.554 -0.034 0.000 2.928 2019 T HA 0.362 4.712 4.350 0.000 0.000 0.284 2019 T C -2.009 172.332 174.700 -0.599 0.000 1.008 2019 T CA -2.099 59.891 62.100 -0.184 0.000 1.057 2019 T CB 1.795 70.596 68.868 -0.111 0.000 1.018 2019 T HN 0.214 nan 8.240 nan 0.000 0.493 2020 P HA -0.191 nan 4.420 nan 0.000 0.217 2020 P C 1.082 177.841 177.300 -0.901 0.000 1.148 2020 P CA 1.352 63.569 63.100 -1.471 0.000 0.834 2020 P CB -0.064 31.299 31.700 -0.562 0.000 0.783 2021 E N -1.110 118.828 120.200 -0.438 0.000 2.418 2021 E HA -0.098 4.252 4.350 0.000 0.000 0.197 2021 E C 1.388 177.901 176.600 -0.146 0.000 1.026 2021 E CA 1.448 57.721 56.400 -0.211 0.000 0.862 2021 E CB -1.408 28.225 29.700 -0.113 0.000 0.799 2021 E HN 0.305 nan 8.360 nan 0.000 0.518 2022 T N -2.199 112.242 114.554 -0.189 0.000 3.069 2022 T HA 0.188 4.538 4.350 0.000 0.000 0.252 2022 T C 0.288 175.072 174.700 0.139 0.000 1.053 2022 T CA -0.623 61.466 62.100 -0.019 0.000 0.964 2022 T CB -0.560 68.316 68.868 0.013 0.000 1.005 2022 T HN 0.105 nan 8.240 nan 0.000 0.532 2023 F N 1.733 121.707 119.950 0.039 0.000 2.602 2023 F HA 0.344 4.871 4.527 0.000 0.000 0.367 2023 F C 0.184 175.995 175.800 0.017 0.000 1.126 2023 F CA -0.978 57.051 58.000 0.048 0.000 1.321 2023 F CB 0.672 39.716 39.000 0.074 0.000 1.094 2023 F HN -0.073 nan 8.300 nan 0.000 0.594 2024 V N 3.940 123.968 119.914 0.189 0.000 2.483 2024 V HA 0.333 4.453 4.120 0.000 0.000 0.297 2024 V C -0.263 175.828 176.094 -0.006 0.000 1.027 2024 V CA -0.946 61.395 62.300 0.067 0.000 0.855 2024 V CB 1.689 33.528 31.823 0.026 0.000 0.995 2024 V HN 0.575 nan 8.190 nan 0.000 0.424 2025 R N 2.903 123.400 120.500 -0.005 0.000 2.438 2025 R HA 0.655 4.995 4.340 0.000 0.000 0.287 2025 R C 0.505 176.759 176.300 -0.076 0.000 1.077 2025 R CA 0.094 56.163 56.100 -0.051 0.000 1.034 2025 R CB 0.988 31.276 30.300 -0.021 0.000 0.993 2025 R HN 0.990 nan 8.270 nan 0.000 0.459 2026 T N -1.346 113.134 114.554 -0.123 0.000 2.669 2026 T HA 0.876 5.226 4.350 0.000 0.000 0.283 2026 T C -0.843 173.774 174.700 -0.139 0.000 1.019 2026 T CA -0.867 61.158 62.100 -0.125 0.000 1.039 2026 T CB 1.624 70.401 68.868 -0.152 0.000 1.374 2026 T HN 0.489 nan 8.240 nan 0.000 0.523 2027 A N 0.019 122.763 122.820 -0.127 0.000 2.469 2027 A HA 0.859 5.179 4.320 0.000 0.000 0.299 2027 A C -1.475 176.042 177.584 -0.112 0.000 1.098 2027 A CA -0.947 51.029 52.037 -0.102 0.000 0.737 2027 A CB 1.287 20.262 19.000 -0.042 0.000 1.312 2027 A HN 0.851 nan 8.150 nan 0.000 0.414 2028 L N 1.021 122.209 121.223 -0.058 0.000 2.381 2028 L HA 0.534 4.874 4.340 0.000 0.000 0.268 2028 L C 1.452 178.383 176.870 0.103 0.000 0.997 2028 L CA -0.626 54.212 54.840 -0.004 0.000 0.818 2028 L CB 2.108 44.147 42.059 -0.034 0.000 1.310 2028 L HN 0.976 nan 8.230 nan 0.000 0.416 2029 A N 2.030 124.892 122.820 0.070 0.000 1.884 2029 A HA -0.201 4.119 4.320 0.000 0.000 0.219 2029 A C 1.736 179.349 177.584 0.049 0.000 1.197 2029 A CA 2.060 54.127 52.037 0.049 0.000 0.637 2029 A CB -0.408 18.610 19.000 0.029 0.000 0.827 2029 A HN 0.863 nan 8.150 nan 0.000 0.450 2030 E N -1.738 118.506 120.200 0.074 0.000 2.478 2030 E HA -0.146 4.204 4.350 0.000 0.000 0.198 2030 E C -0.228 176.224 176.600 -0.247 0.000 1.046 2030 E CA 0.382 56.731 56.400 -0.085 0.000 0.870 2030 E CB -0.322 29.304 29.700 -0.124 0.000 0.818 2030 E HN 0.859 nan 8.360 nan 0.000 0.527 2031 W N 3.098 124.385 121.300 -0.022 0.000 1.788 2031 W HA 0.319 4.979 4.660 0.000 0.000 0.318 2031 W C -2.215 174.292 176.519 -0.021 0.000 0.785 2031 W CA -2.548 54.790 57.345 -0.012 0.000 2.625 2031 W CB 0.368 29.814 29.460 -0.023 0.000 2.210 2031 W HN -0.122 nan 8.180 nan 0.000 0.591 2032 P HA 0.060 nan 4.420 nan 0.000 0.265 2032 P C 1.103 178.444 177.300 0.068 0.000 1.193 2032 P CA 1.513 64.648 63.100 0.057 0.000 0.765 2032 P CB 1.279 32.986 31.700 0.011 0.000 0.823 2033 G N 1.871 110.706 108.800 0.059 0.000 2.212 2033 G HA2 -0.223 3.737 3.960 0.000 0.000 0.266 2033 G HA3 -0.223 3.737 3.960 0.000 0.000 0.266 2033 G C 0.262 175.209 174.900 0.078 0.000 0.978 2033 G CA 0.287 45.421 45.100 0.056 0.000 0.632 2033 G HN 0.660 nan 8.290 nan 0.000 0.537 2034 S N -0.101 115.669 115.700 0.118 0.000 2.638 2034 S HA 0.821 5.291 4.470 0.000 0.000 0.298 2034 S C 0.294 174.930 174.600 0.060 0.000 1.111 2034 S CA 0.147 58.425 58.200 0.130 0.000 1.027 2034 S CB 1.902 65.264 63.200 0.269 0.000 1.064 2034 S HN 1.499 nan 8.310 nan 0.000 0.525 2035 A N 2.268 125.099 122.820 0.018 0.000 2.292 2035 A HA 0.710 5.030 4.320 0.000 0.000 0.319 2035 A C -0.714 176.792 177.584 -0.129 0.000 1.206 2035 A CA -0.527 51.484 52.037 -0.044 0.000 0.835 2035 A CB 0.140 19.127 19.000 -0.022 0.000 1.164 2035 A HN 0.620 nan 8.150 nan 0.000 0.505 2036 I N 3.054 123.493 120.570 -0.218 0.000 2.404 2036 I HA 0.307 4.477 4.170 0.000 0.000 0.293 2036 I C -0.428 175.469 176.117 -0.366 0.000 0.992 2036 I CA -0.696 60.374 61.300 -0.382 0.000 1.149 2036 I CB 1.518 39.155 38.000 -0.605 0.000 1.315 2036 I HN 0.274 nan 8.210 nan 0.000 0.446 2037 V N 7.369 127.023 119.914 -0.435 0.000 2.257 2037 V HA 0.283 4.403 4.120 0.000 0.000 0.269 2037 V C 0.351 176.005 176.094 -0.735 0.000 1.040 2037 V CA -0.559 61.414 62.300 -0.545 0.000 0.813 2037 V CB 0.942 32.355 31.823 -0.684 0.000 1.065 2037 V HN 0.442 nan 8.190 nan 0.000 0.457 2038 L N 4.743 125.674 121.223 -0.487 0.000 2.536 2038 L HA 0.204 4.544 4.340 0.000 0.000 0.282 2038 L C 1.466 178.155 176.870 -0.302 0.000 1.147 2038 L CA 0.267 54.881 54.840 -0.377 0.000 0.936 2038 L CB -0.367 41.506 42.059 -0.310 0.000 1.279 2038 L HN 0.686 nan 8.230 nan 0.000 0.461 2039 H N 2.948 121.902 119.070 -0.192 0.000 2.307 2039 H HA 0.125 4.681 4.556 0.000 0.000 0.303 2039 H C 0.223 175.440 175.328 -0.184 0.000 1.073 2039 H CA 0.676 56.612 56.048 -0.186 0.000 1.338 2039 H CB 0.279 29.927 29.762 -0.189 0.000 1.389 2039 H HN 0.389 nan 8.280 nan 0.000 0.503 2040 I N 0.424 120.932 120.570 -0.104 0.000 2.465 2040 I HA 0.548 4.718 4.170 0.000 0.000 0.291 2040 I C -0.694 175.167 176.117 -0.428 0.000 1.014 2040 I CA -0.812 60.307 61.300 -0.302 0.000 1.093 2040 I CB 2.195 40.012 38.000 -0.304 0.000 1.267 2040 I HN 0.158 nan 8.210 nan 0.000 0.431 2041 A N 6.349 128.883 122.820 -0.478 0.000 2.527 2041 A HA 0.758 5.078 4.320 0.000 0.000 0.293 2041 A C -2.465 174.839 177.584 -0.468 0.000 1.117 2041 A CA -1.511 50.268 52.037 -0.430 0.000 0.723 2041 A CB 1.308 20.128 19.000 -0.300 0.000 1.313 2041 A HN 0.482 nan 8.150 nan 0.000 0.411 2042 P HA -0.088 nan 4.420 nan 0.000 0.226 2042 P C 1.114 178.267 177.300 -0.245 0.000 1.146 2042 P CA 1.690 64.628 63.100 -0.269 0.000 0.773 2042 P CB -0.068 31.530 31.700 -0.170 0.000 0.772 2043 V N -5.155 114.601 119.914 -0.265 0.000 3.649 2043 V HA 0.082 4.202 4.120 0.000 0.000 0.275 2043 V C 0.660 176.576 176.094 -0.297 0.000 1.281 2043 V CA -0.104 62.060 62.300 -0.226 0.000 1.143 2043 V CB -1.049 30.670 31.823 -0.173 0.000 0.892 2043 V HN -0.232 nan 8.190 nan 0.000 0.441 2044 V N 2.456 122.082 119.914 -0.479 0.000 2.485 2044 V HA 0.556 4.676 4.120 0.000 0.000 0.287 2044 V C 1.856 177.571 176.094 -0.633 0.000 1.022 2044 V CA 0.742 62.648 62.300 -0.656 0.000 1.067 2044 V CB -0.674 30.447 31.823 -1.170 0.000 0.967 2044 V HN 0.765 nan 8.190 nan 0.000 0.479 2045 G N 4.219 112.821 108.800 -0.329 0.000 2.699 2045 G HA2 -0.362 3.598 3.960 0.000 0.000 0.351 2045 G HA3 -0.362 3.598 3.960 0.000 0.000 0.351 2045 G C 0.811 175.699 174.900 -0.019 0.000 1.191 2045 G CA 1.043 46.087 45.100 -0.094 0.000 0.953 2045 G HN 0.671 nan 8.290 nan 0.000 0.557 2046 L N 2.430 123.743 121.223 0.150 0.000 2.554 2046 L HA 0.469 4.809 4.340 0.000 0.000 0.226 2046 L C 1.410 178.355 176.870 0.126 0.000 1.137 2046 L CA 0.684 55.622 54.840 0.164 0.000 0.863 2046 L CB -0.566 41.643 42.059 0.250 0.000 0.985 2046 L HN 1.490 nan 8.230 nan 0.000 0.451 2047 G N -0.435 108.389 108.800 0.040 0.000 2.402 2047 G HA2 0.330 4.290 3.960 0.000 0.000 0.666 2047 G HA3 0.330 4.290 3.960 0.000 0.000 0.666 2047 G C -1.474 173.475 174.900 0.082 0.000 1.402 2047 G CA -0.462 44.639 45.100 0.002 0.000 0.920 2047 G HN 0.221 nan 8.290 nan 0.000 0.651 2048 A N 0.388 123.183 122.820 -0.042 0.000 2.498 2048 A HA 0.923 5.243 4.320 0.000 0.000 0.298 2048 A C 0.263 177.875 177.584 0.048 0.000 1.075 2048 A CA -0.662 51.390 52.037 0.026 0.000 0.714 2048 A CB 1.764 20.519 19.000 -0.409 0.000 1.299 2048 A HN 1.002 nan 8.150 nan 0.000 0.407 2049 R N 0.012 120.679 120.500 0.278 0.000 2.546 2049 R HA 0.423 4.763 4.340 0.000 0.000 0.320 2049 R C -0.598 175.881 176.300 0.297 0.000 1.021 2049 R CA 0.270 56.514 56.100 0.240 0.000 1.088 2049 R CB -0.038 30.413 30.300 0.251 0.000 1.278 2049 R HN 0.652 nan 8.270 nan 0.000 0.557 2050 F N -2.791 117.118 119.950 -0.069 0.000 3.129 2050 F HA 0.763 5.290 4.527 0.000 0.000 0.326 2050 F C -1.237 174.447 175.800 -0.194 0.000 1.202 2050 F CA -2.061 55.846 58.000 -0.155 0.000 0.929 2050 F CB 0.719 39.566 39.000 -0.256 0.000 1.473 2050 F HN -0.266 nan 8.300 nan 0.000 0.512 2051 V N -0.616 119.124 119.914 -0.291 0.000 2.808 2051 V HA 0.704 4.825 4.120 0.000 0.000 0.308 2051 V C -1.384 174.610 176.094 -0.167 0.000 1.099 2051 V CA -0.618 61.475 62.300 -0.344 0.000 0.920 2051 V CB 1.274 33.020 31.823 -0.129 0.000 1.014 2051 V HN 1.171 nan 8.190 nan 0.000 0.425 2052 Q N 3.551 123.222 119.800 -0.215 0.000 2.337 2052 Q HA 0.817 5.157 4.340 0.000 0.000 0.270 2052 Q C -1.745 174.156 176.000 -0.166 0.000 1.043 2052 Q CA -0.628 55.047 55.803 -0.213 0.000 0.794 2052 Q CB 2.430 31.135 28.738 -0.054 0.000 1.281 2052 Q HN 1.021 nan 8.270 nan 0.000 0.446 2053 F N -0.981 118.754 119.950 -0.359 0.000 2.741 2053 F HA 0.693 5.220 4.527 0.000 0.000 0.313 2053 F C -1.399 174.110 175.800 -0.486 0.000 1.153 2053 F CA -0.875 56.790 58.000 -0.558 0.000 0.931 2053 F CB 1.149 39.813 39.000 -0.560 0.000 1.335 2053 F HN 0.378 nan 8.300 nan 0.000 0.460 2054 T N -0.260 114.130 114.554 -0.274 0.000 2.885 2054 T HA 0.891 5.241 4.350 0.000 0.000 0.285 2054 T C -0.856 173.784 174.700 -0.100 0.000 1.019 2054 T CA -0.404 61.602 62.100 -0.158 0.000 1.010 2054 T CB 1.552 70.397 68.868 -0.037 0.000 1.022 2054 T HN 1.417 nan 8.240 nan 0.000 0.466 2055 A N 2.150 124.902 122.820 -0.114 0.000 2.318 2055 A HA 0.638 4.958 4.320 0.000 0.000 0.317 2055 A C -0.168 177.413 177.584 -0.005 0.000 1.159 2055 A CA -0.925 51.023 52.037 -0.149 0.000 0.799 2055 A CB 0.686 19.461 19.000 -0.376 0.000 1.194 2055 A HN 0.884 nan 8.150 nan 0.000 0.479 2056 E N 3.219 123.423 120.200 0.007 0.000 2.028 2056 E HA 0.306 4.656 4.350 0.000 0.000 0.266 2056 E C -0.914 175.738 176.600 0.086 0.000 0.962 2056 E CA -0.017 56.416 56.400 0.054 0.000 0.784 2056 E CB 0.841 30.565 29.700 0.041 0.000 1.114 2056 E HN 0.677 nan 8.360 nan 0.000 0.414 2057 M N 3.998 123.672 119.600 0.124 0.000 2.144 2057 M HA 0.314 4.794 4.480 0.000 0.000 0.356 2057 M C -2.380 173.981 176.300 0.101 0.000 1.217 2057 M CA -1.942 53.444 55.300 0.143 0.000 1.087 2057 M CB 0.765 33.483 32.600 0.196 0.000 1.609 2057 M HN 0.050 nan 8.290 nan 0.000 0.467 2058 P HA 0.214 nan 4.420 nan 0.000 0.278 2058 P C -0.805 176.530 177.300 0.059 0.000 1.238 2058 P CA -0.448 62.690 63.100 0.063 0.000 0.794 2058 P CB 0.719 32.451 31.700 0.053 0.000 0.955 2059 A N 2.744 125.593 122.820 0.048 0.000 2.580 2059 A HA 0.365 4.685 4.320 0.000 0.000 0.244 2059 A C 1.531 179.136 177.584 0.036 0.000 1.045 2059 A CA 1.193 53.255 52.037 0.041 0.000 0.761 2059 A CB -1.635 17.385 19.000 0.032 0.000 0.962 2059 A HN 0.871 nan 8.150 nan 0.000 0.512 2060 G N 1.144 109.965 108.800 0.035 0.000 2.259 2060 G HA2 0.179 4.139 3.960 0.000 0.000 0.217 2060 G HA3 0.179 4.139 3.960 0.000 0.000 0.217 2060 G C 0.680 175.596 174.900 0.027 0.000 1.001 2060 G CA 0.335 45.450 45.100 0.026 0.000 0.627 2060 G HN 2.247 nan 8.290 nan 0.000 0.501 2061 A N 0.260 123.106 122.820 0.042 0.000 2.483 2061 A HA 0.610 4.930 4.320 0.000 0.000 0.238 2061 A C 0.372 177.974 177.584 0.030 0.000 1.070 2061 A CA 0.906 52.971 52.037 0.047 0.000 0.770 2061 A CB 0.203 19.254 19.000 0.085 0.000 1.008 2061 A HN 0.603 nan 8.150 nan 0.000 0.497 2062 Q N -0.169 119.630 119.800 -0.001 0.000 2.347 2062 Q HA 0.625 4.965 4.340 0.000 0.000 0.271 2062 Q C -0.815 175.105 176.000 -0.133 0.000 1.064 2062 Q CA -0.581 55.190 55.803 -0.053 0.000 0.800 2062 Q CB 2.456 31.163 28.738 -0.052 0.000 1.304 2062 Q HN 0.957 nan 8.270 nan 0.000 0.438 2063 A N 1.277 123.938 122.820 -0.265 0.000 2.386 2063 A HA 0.839 5.159 4.320 0.000 0.000 0.311 2063 A C -0.265 177.022 177.584 -0.495 0.000 1.068 2063 A CA -0.516 51.189 52.037 -0.554 0.000 0.743 2063 A CB 1.380 19.633 19.000 -1.245 0.000 1.258 2063 A HN 0.708 nan 8.150 nan 0.000 0.429 2064 T N -0.632 113.629 114.554 -0.490 0.000 2.870 2064 T HA 0.676 5.027 4.350 0.000 0.000 0.277 2064 T C -0.109 174.268 174.700 -0.538 0.000 1.000 2064 T CA -0.694 61.126 62.100 -0.465 0.000 0.982 2064 T CB 0.409 69.092 68.868 -0.309 0.000 1.249 2064 T HN 0.626 nan 8.240 nan 0.000 0.589 2065 E N 0.992 120.825 120.200 -0.611 0.000 2.408 2065 E HA 0.463 4.813 4.350 0.000 0.000 0.259 2065 E C 0.300 176.820 176.600 -0.134 0.000 1.110 2065 E CA -0.647 55.517 56.400 -0.394 0.000 0.929 2065 E CB 0.160 29.671 29.700 -0.315 0.000 0.971 2065 E HN 0.800 nan 8.360 nan 0.000 0.438 2066 S N -0.263 115.444 115.700 0.012 0.000 2.798 2066 S HA 0.375 4.845 4.470 0.000 0.000 0.312 2066 S C 0.648 175.195 174.600 -0.089 0.000 1.122 2066 S CA -0.826 57.395 58.200 0.034 0.000 0.949 2066 S CB 0.877 64.234 63.200 0.262 0.000 1.235 2066 S HN 0.258 nan 8.310 nan 0.000 0.552 2067 V N 0.198 119.910 119.914 -0.337 0.000 3.461 2067 V HA 0.133 4.253 4.120 0.000 0.000 0.267 2067 V C -0.175 175.666 176.094 -0.421 0.000 1.186 2067 V CA 0.726 62.763 62.300 -0.438 0.000 1.154 2067 V CB -1.677 29.799 31.823 -0.578 0.000 0.802 2067 V HN 0.681 nan 8.190 nan 0.000 0.474 2068 Y N -0.720 119.653 120.300 0.121 0.000 2.565 2068 Y HA 0.532 5.083 4.550 0.000 0.000 0.325 2068 Y C 0.768 176.756 175.900 0.147 0.000 1.221 2068 Y CA -1.367 56.821 58.100 0.147 0.000 1.316 2068 Y CB 0.247 38.806 38.460 0.165 0.000 1.404 2068 Y HN -0.048 nan 8.280 nan 0.000 0.527 2069 Q N 1.338 121.355 119.800 0.361 0.000 2.352 2069 Q HA 0.247 4.588 4.340 0.000 0.000 0.260 2069 Q C -0.509 175.652 176.000 0.269 0.000 0.976 2069 Q CA -0.151 55.798 55.803 0.244 0.000 0.881 2069 Q CB 1.005 29.985 28.738 0.403 0.000 1.235 2069 Q HN 0.449 nan 8.270 nan 0.000 0.419 2070 R N 2.724 123.317 120.500 0.156 0.000 2.502 2070 R HA 0.335 4.675 4.340 0.000 0.000 0.300 2070 R C -1.920 174.527 176.300 0.246 0.000 0.984 2070 R CA -0.509 55.731 56.100 0.233 0.000 0.882 2070 R CB 0.801 31.245 30.300 0.239 0.000 1.180 2070 R HN 0.597 nan 8.270 nan 0.000 0.444 2071 F N 4.178 124.298 119.950 0.283 0.000 2.347 2071 F HA 0.608 5.135 4.527 0.000 0.000 0.366 2071 F C -0.952 175.049 175.800 0.335 0.000 1.107 2071 F CA -0.450 57.790 58.000 0.401 0.000 1.058 2071 F CB 1.370 40.767 39.000 0.663 0.000 1.236 2071 F HN 0.645 nan 8.300 nan 0.000 0.456 2072 A N 6.497 129.204 122.820 -0.190 0.000 2.276 2072 A HA 0.625 4.945 4.320 0.000 0.000 0.316 2072 A C -1.823 175.679 177.584 -0.137 0.000 1.229 2072 A CA -0.430 51.563 52.037 -0.074 0.000 0.851 2072 A CB 0.312 19.334 19.000 0.035 0.000 1.165 2072 A HN 0.751 nan 8.150 nan 0.000 0.513 2073 F N 3.447 123.335 119.950 -0.103 0.000 2.499 2073 F HA 0.495 5.022 4.527 0.000 0.000 0.333 2073 F C -0.450 175.412 175.800 0.104 0.000 1.138 2073 F CA -0.640 57.383 58.000 0.038 0.000 0.945 2073 F CB 1.716 40.822 39.000 0.176 0.000 1.181 2073 F HN 0.340 nan 8.300 nan 0.000 0.435 2074 V N 8.123 127.952 119.914 -0.141 0.000 2.470 2074 V HA 0.033 4.153 4.120 0.000 0.000 0.276 2074 V C 0.990 177.148 176.094 0.108 0.000 1.040 2074 V CA 0.237 62.538 62.300 0.001 0.000 1.008 2074 V CB 0.892 32.702 31.823 -0.023 0.000 0.990 2074 V HN 0.902 nan 8.190 nan 0.000 0.477 2075 L N 3.663 125.025 121.223 0.231 0.000 2.202 2075 L HA 0.174 4.514 4.340 0.000 0.000 0.205 2075 L C 0.801 177.795 176.870 0.206 0.000 1.083 2075 L CA 0.736 55.763 54.840 0.311 0.000 0.790 2075 L CB 0.226 42.448 42.059 0.272 0.000 0.942 2075 L HN 0.853 nan 8.230 nan 0.000 0.452 2076 S N -1.663 114.118 115.700 0.135 0.000 2.543 2076 S HA 0.688 5.158 4.470 0.000 0.000 0.274 2076 S C -0.349 174.294 174.600 0.070 0.000 1.149 2076 S CA -0.303 57.949 58.200 0.087 0.000 0.866 2076 S CB 1.819 65.071 63.200 0.087 0.000 1.111 2076 S HN 0.467 nan 8.310 nan 0.000 0.457 2077 G N 1.259 110.087 108.800 0.047 0.000 2.627 2077 G HA2 0.147 4.107 3.960 0.000 0.000 0.214 2077 G HA3 0.147 4.107 3.960 0.000 0.000 0.214 2077 G C -1.348 173.573 174.900 0.035 0.000 1.331 2077 G CA -0.331 44.794 45.100 0.043 0.000 0.891 2077 G HN 1.031 nan 8.290 nan 0.000 0.539 2078 E N -1.320 118.902 120.200 0.037 0.000 2.275 2078 E HA 0.568 4.918 4.350 0.000 0.000 0.270 2078 E C -0.845 175.782 176.600 0.045 0.000 0.882 2078 E CA -0.793 55.626 56.400 0.031 0.000 0.758 2078 E CB 2.674 32.384 29.700 0.017 0.000 1.195 2078 E HN 0.563 nan 8.360 nan 0.000 0.419 2079 V N 2.687 122.632 119.914 0.051 0.000 2.531 2079 V HA 0.265 4.385 4.120 0.000 0.000 0.301 2079 V C -0.676 175.456 176.094 0.064 0.000 1.034 2079 V CA -1.018 61.322 62.300 0.067 0.000 0.865 2079 V CB 1.943 33.822 31.823 0.094 0.000 0.995 2079 V HN 0.662 nan 8.190 nan 0.000 0.424 2080 D N 3.062 123.497 120.400 0.058 0.000 2.264 2080 D HA 0.416 5.056 4.640 0.000 0.000 0.250 2080 D C -0.478 175.876 176.300 0.090 0.000 1.113 2080 D CA 0.075 54.111 54.000 0.060 0.000 0.871 2080 D CB 2.223 43.046 40.800 0.038 0.000 1.167 2080 D HN 0.271 nan 8.370 nan 0.000 0.447 2081 V N 1.714 121.711 119.914 0.140 0.000 2.357 2081 V HA 0.546 4.666 4.120 0.000 0.000 0.284 2081 V C 0.167 176.386 176.094 0.208 0.000 1.018 2081 V CA -0.920 61.491 62.300 0.185 0.000 0.841 2081 V CB 1.440 33.425 31.823 0.270 0.000 0.991 2081 V HN 0.631 nan 8.190 nan 0.000 0.437 2082 A N 5.619 128.534 122.820 0.158 0.000 2.322 2082 A HA 0.823 5.143 4.320 0.000 0.000 0.327 2082 A C -0.612 177.066 177.584 0.157 0.000 1.394 2082 A CA -0.377 51.742 52.037 0.137 0.000 0.921 2082 A CB 0.573 19.620 19.000 0.078 0.000 1.153 2082 A HN 0.706 nan 8.150 nan 0.000 0.523 2083 V N 1.765 121.793 119.914 0.190 0.000 2.962 2083 V HA 0.854 4.974 4.120 0.000 0.000 0.313 2083 V C 1.081 177.265 176.094 0.151 0.000 1.099 2083 V CA 0.140 62.538 62.300 0.163 0.000 0.971 2083 V CB 0.951 32.849 31.823 0.125 0.000 1.028 2083 V HN 1.941 nan 8.190 nan 0.000 0.430 2084 G N 3.032 111.896 108.800 0.107 0.000 2.611 2084 G HA2 -0.123 3.837 3.960 0.000 0.000 0.301 2084 G HA3 -0.123 3.837 3.960 0.000 0.000 0.301 2084 G C 0.882 175.826 174.900 0.074 0.000 1.233 2084 G CA 0.617 45.770 45.100 0.090 0.000 0.993 2084 G HN 1.879 nan 8.290 nan 0.000 0.553 2085 G N 0.698 109.539 108.800 0.068 0.000 3.159 2085 G HA2 0.541 4.501 3.960 0.000 0.000 0.232 2085 G HA3 0.541 4.501 3.960 0.000 0.000 0.232 2085 G C 0.462 175.387 174.900 0.041 0.000 1.116 2085 G CA 1.200 46.327 45.100 0.046 0.000 0.767 2085 G HN 1.080 nan 8.290 nan 0.000 0.547 2086 E N -0.184 120.053 120.200 0.062 0.000 2.281 2086 E HA 0.658 5.008 4.350 0.000 0.000 0.262 2086 E C -1.027 175.609 176.600 0.060 0.000 0.933 2086 E CA -0.821 55.600 56.400 0.036 0.000 0.809 2086 E CB 1.590 31.292 29.700 0.003 0.000 1.242 2086 E HN 0.017 nan 8.360 nan 0.000 0.418 2087 T N -0.566 113.992 114.554 0.007 0.000 2.916 2087 T HA 0.633 4.983 4.350 0.000 0.000 0.298 2087 T C -0.601 174.057 174.700 -0.069 0.000 1.031 2087 T CA -1.074 61.039 62.100 0.023 0.000 0.993 2087 T CB 1.430 70.311 68.868 0.023 0.000 1.045 2087 T HN 0.537 nan 8.240 nan 0.000 0.454 2088 R N 1.296 121.753 120.500 -0.070 0.000 2.673 2088 R HA 0.651 4.991 4.340 0.000 0.000 0.281 2088 R C -0.444 175.823 176.300 -0.054 0.000 0.991 2088 R CA -0.998 54.995 56.100 -0.179 0.000 0.896 2088 R CB 2.124 32.114 30.300 -0.518 0.000 1.201 2088 R HN 0.914 nan 8.270 nan 0.000 0.457 2089 T N 0.327 114.841 114.554 -0.066 0.000 2.817 2089 T HA 0.483 4.833 4.350 0.000 0.000 0.293 2089 T C 0.187 174.877 174.700 -0.017 0.000 0.964 2089 T CA -0.656 61.431 62.100 -0.021 0.000 1.085 2089 T CB 0.655 69.507 68.868 -0.028 0.000 0.921 2089 T HN 0.260 nan 8.240 nan 0.000 0.502 2090 L N 3.885 125.120 121.223 0.021 0.000 2.329 2090 L HA 0.659 4.999 4.340 0.000 0.000 0.279 2090 L C 0.754 177.627 176.870 0.005 0.000 1.014 2090 L CA -1.144 53.707 54.840 0.018 0.000 0.814 2090 L CB 1.743 43.836 42.059 0.057 0.000 1.257 2090 L HN 0.844 nan 8.230 nan 0.000 0.424 2091 R N 0.890 121.381 120.500 -0.014 0.000 3.151 2091 R HA 0.427 4.767 4.340 0.000 0.000 0.231 2091 R C -0.411 175.876 176.300 -0.021 0.000 1.511 2091 R CA -0.934 55.158 56.100 -0.013 0.000 1.047 2091 R CB 0.667 30.953 30.300 -0.023 0.000 1.565 2091 R HN 0.492 nan 8.270 nan 0.000 0.513 2092 E N 0.521 120.707 120.200 -0.024 0.000 2.820 2092 E HA -0.205 4.145 4.350 0.000 0.000 0.251 2092 E C -0.865 175.757 176.600 0.036 0.000 0.944 2092 E CA 0.412 56.798 56.400 -0.024 0.000 0.955 2092 E CB -0.028 29.587 29.700 -0.142 0.000 0.904 2092 E HN 0.567 nan 8.360 nan 0.000 0.513 2093 Y N 0.904 121.049 120.300 -0.258 0.000 4.841 2093 Y HA -0.255 4.295 4.550 0.000 0.000 0.242 2093 Y C -0.387 175.317 175.900 -0.326 0.000 1.002 2093 Y CA 0.945 58.807 58.100 -0.398 0.000 2.011 2093 Y CB -1.974 36.490 38.460 0.006 0.000 1.554 2093 Y HN 0.593 nan 8.280 nan 0.000 0.618 2094 D N 0.544 120.854 120.400 -0.151 0.000 2.210 2094 D HA 0.542 5.182 4.640 0.000 0.000 0.249 2094 D C 0.222 176.443 176.300 -0.132 0.000 1.062 2094 D CA 0.094 54.026 54.000 -0.113 0.000 0.891 2094 D CB 0.916 41.677 40.800 -0.065 0.000 1.186 2094 D HN 0.276 nan 8.370 nan 0.000 0.432 2095 Y N -1.515 118.748 120.300 -0.063 0.000 2.644 2095 Y HA 0.753 5.303 4.550 0.000 0.000 0.338 2095 Y C -1.393 174.478 175.900 -0.048 0.000 1.119 2095 Y CA -1.159 56.871 58.100 -0.118 0.000 1.060 2095 Y CB 1.073 39.512 38.460 -0.036 0.000 1.294 2095 Y HN 0.067 nan 8.280 nan 0.000 0.472 2096 V N 1.615 121.508 119.914 -0.035 0.000 2.851 2096 V HA 0.265 4.385 4.120 0.000 0.000 0.307 2096 V C -1.706 174.366 176.094 -0.037 0.000 1.129 2096 V CA -0.902 61.304 62.300 -0.157 0.000 0.932 2096 V CB 1.838 33.392 31.823 -0.448 0.000 1.024 2096 V HN 0.839 nan 8.190 nan 0.000 0.426 2097 Y N 5.335 125.672 120.300 0.061 0.000 2.328 2097 Y HA 0.785 5.335 4.550 0.000 0.000 0.337 2097 Y C -0.988 174.931 175.900 0.031 0.000 1.008 2097 Y CA -0.703 57.559 58.100 0.270 0.000 1.129 2097 Y CB 1.319 40.079 38.460 0.501 0.000 1.185 2097 Y HN 0.574 nan 8.280 nan 0.000 0.476 2098 L N 9.548 130.386 121.223 -0.642 0.000 2.319 2098 L HA 0.509 4.849 4.340 0.000 0.000 0.281 2098 L C -2.357 174.154 176.870 -0.598 0.000 1.005 2098 L CA -2.200 52.324 54.840 -0.527 0.000 0.828 2098 L CB 1.671 43.481 42.059 -0.416 0.000 1.227 2098 L HN 0.577 nan 8.230 nan 0.000 0.415 2099 P HA -0.034 nan 4.420 nan 0.000 0.267 2099 P C -0.446 176.785 177.300 -0.116 0.000 1.201 2099 P CA -0.211 62.752 63.100 -0.229 0.000 0.775 2099 P CB 0.573 32.209 31.700 -0.106 0.000 0.854 2100 A N 2.696 125.484 122.820 -0.052 0.000 2.505 2100 A HA 0.408 4.728 4.320 0.000 0.000 0.271 2100 A C 1.543 179.127 177.584 -0.000 0.000 1.112 2100 A CA 0.971 53.026 52.037 0.031 0.000 0.781 2100 A CB -1.643 17.423 19.000 0.110 0.000 1.059 2100 A HN 0.837 nan 8.150 nan 0.000 0.508 2101 G N 1.450 110.250 108.800 0.001 0.000 2.313 2101 G HA2 -0.190 3.770 3.960 0.000 0.000 0.215 2101 G HA3 -0.190 3.770 3.960 0.000 0.000 0.215 2101 G C 0.214 175.111 174.900 -0.004 0.000 1.023 2101 G CA 0.051 45.140 45.100 -0.018 0.000 0.626 2101 G HN 0.775 nan 8.290 nan 0.000 0.503 2102 E N 2.284 122.493 120.200 0.015 0.000 2.966 2102 E HA 0.030 4.380 4.350 0.000 0.000 0.254 2102 E C 0.665 177.312 176.600 0.078 0.000 0.923 2102 E CA 0.708 57.132 56.400 0.040 0.000 0.960 2102 E CB 0.279 29.999 29.700 0.033 0.000 0.901 2102 E HN 0.499 nan 8.360 nan 0.000 0.525 2103 K N 3.127 123.540 120.400 0.023 0.000 2.350 2103 K HA 0.106 4.426 4.320 0.000 0.000 0.279 2103 K C 0.100 176.725 176.600 0.042 0.000 1.027 2103 K CA 0.163 56.430 56.287 -0.032 0.000 0.969 2103 K CB 0.418 32.896 32.500 -0.037 0.000 0.954 2103 K HN 0.605 nan 8.250 nan 0.000 0.474 2104 H N 0.071 119.110 119.070 -0.051 0.000 2.950 2104 H HA 0.463 5.019 4.556 0.000 0.000 0.307 2104 H C -1.582 173.703 175.328 -0.072 0.000 1.403 2104 H CA -1.069 54.951 56.048 -0.047 0.000 1.145 2104 H CB 0.981 30.710 29.762 -0.054 0.000 1.844 2104 H HN 0.491 nan 8.280 nan 0.000 0.515 2105 M N 1.961 121.616 119.600 0.091 0.000 2.501 2105 M HA 0.556 5.036 4.480 0.000 0.000 0.293 2105 M C -2.049 174.302 176.300 0.084 0.000 1.192 2105 M CA -0.920 54.376 55.300 -0.006 0.000 0.886 2105 M CB 2.164 34.738 32.600 -0.043 0.000 1.710 2105 M HN 0.647 nan 8.290 nan 0.000 0.457 2106 L N 3.578 124.800 121.223 -0.001 0.000 2.319 2106 L HA 0.548 4.888 4.340 0.000 0.000 0.281 2106 L C -0.849 176.021 176.870 -0.001 0.000 1.005 2106 L CA -0.577 54.274 54.840 0.018 0.000 0.828 2106 L CB 1.869 43.920 42.059 -0.014 0.000 1.227 2106 L HN 0.681 nan 8.230 nan 0.000 0.415 2107 T N 1.985 116.557 114.554 0.030 0.000 2.807 2107 T HA 0.559 4.909 4.350 0.000 0.000 0.279 2107 T C 0.095 174.824 174.700 0.047 0.000 0.993 2107 T CA -0.477 61.639 62.100 0.028 0.000 0.970 2107 T CB 1.878 70.758 68.868 0.019 0.000 0.950 2107 T HN 0.618 nan 8.240 nan 0.000 0.441 2108 A N 3.122 125.975 122.820 0.055 0.000 2.347 2108 A HA 0.338 4.658 4.320 0.000 0.000 0.287 2108 A C 1.383 178.994 177.584 0.044 0.000 1.199 2108 A CA -0.395 51.680 52.037 0.063 0.000 0.851 2108 A CB 0.223 19.270 19.000 0.078 0.000 1.118 2108 A HN 0.869 nan 8.150 nan 0.000 0.525 2109 K N 0.809 121.232 120.400 0.038 0.000 2.103 2109 K HA -0.033 4.287 4.320 0.000 0.000 0.204 2109 K C 0.779 177.396 176.600 0.027 0.000 1.052 2109 K CA 1.747 58.050 56.287 0.027 0.000 0.945 2109 K CB 0.010 32.522 32.500 0.020 0.000 0.722 2109 K HN 0.908 nan 8.250 nan 0.000 0.443 2110 T N -1.655 112.920 114.554 0.034 0.000 2.838 2110 T HA 0.219 4.569 4.350 0.000 0.000 0.292 2110 T C -0.906 173.822 174.700 0.046 0.000 1.113 2110 T CA -1.134 60.986 62.100 0.034 0.000 1.008 2110 T CB 1.721 70.607 68.868 0.029 0.000 1.259 2110 T HN -0.193 nan 8.240 nan 0.000 0.520 2111 D N 1.287 121.714 120.400 0.045 0.000 2.531 2111 D HA 0.475 5.115 4.640 0.000 0.000 0.239 2111 D C 0.040 176.378 176.300 0.063 0.000 1.144 2111 D CA 0.559 54.592 54.000 0.054 0.000 0.869 2111 D CB 0.565 41.394 40.800 0.049 0.000 1.160 2111 D HN 0.920 nan 8.370 nan 0.000 0.484 2112 A N 3.444 126.311 122.820 0.079 0.000 2.469 2112 A HA 0.783 5.104 4.320 0.000 0.000 0.299 2112 A C -0.369 177.276 177.584 0.102 0.000 1.098 2112 A CA -0.836 51.255 52.037 0.090 0.000 0.737 2112 A CB 1.665 20.724 19.000 0.098 0.000 1.312 2112 A HN 0.474 nan 8.150 nan 0.000 0.414 2113 R N 0.191 120.756 120.500 0.107 0.000 2.513 2113 R HA 0.606 4.946 4.340 0.000 0.000 0.301 2113 R C -1.739 174.635 176.300 0.123 0.000 0.968 2113 R CA -0.532 55.634 56.100 0.110 0.000 0.872 2113 R CB 2.266 32.635 30.300 0.116 0.000 1.177 2113 R HN 0.447 nan 8.270 nan 0.000 0.444 2114 V N 1.451 121.427 119.914 0.104 0.000 2.531 2114 V HA 0.304 4.424 4.120 0.000 0.000 0.301 2114 V C -0.148 175.954 176.094 0.014 0.000 1.034 2114 V CA -0.804 61.559 62.300 0.106 0.000 0.865 2114 V CB 1.897 33.812 31.823 0.154 0.000 0.995 2114 V HN 0.744 nan 8.190 nan 0.000 0.424 2115 S N 3.920 119.652 115.700 0.054 0.000 2.465 2115 S HA 0.654 5.124 4.470 0.000 0.000 0.279 2115 S C -0.603 173.837 174.600 -0.267 0.000 1.201 2115 S CA -0.339 57.786 58.200 -0.125 0.000 1.053 2115 S CB 0.704 63.877 63.200 -0.046 0.000 0.953 2115 S HN 0.542 nan 8.310 nan 0.000 0.488 2116 V N 6.225 125.753 119.914 -0.643 0.000 2.540 2116 V HA 0.557 4.677 4.120 0.000 0.000 0.302 2116 V C -1.023 174.576 176.094 -0.824 0.000 1.035 2116 V CA -0.725 61.156 62.300 -0.699 0.000 0.873 2116 V CB 1.378 32.566 31.823 -1.058 0.000 0.992 2116 V HN 0.867 nan 8.190 nan 0.000 0.428 2117 F N 2.370 122.252 119.950 -0.112 0.000 2.449 2117 F HA 0.595 5.122 4.527 0.000 0.000 0.342 2117 F C 0.453 176.228 175.800 -0.042 0.000 1.127 2117 F CA -0.351 57.578 58.000 -0.119 0.000 0.975 2117 F CB 1.600 40.590 39.000 -0.017 0.000 1.146 2117 F HN 0.434 nan 8.300 nan 0.000 0.444 2118 E N 3.288 123.549 120.200 0.101 0.000 2.288 2118 E HA 0.686 5.036 4.350 0.000 0.000 0.268 2118 E C -1.189 175.455 176.600 0.073 0.000 0.885 2118 E CA -1.201 55.292 56.400 0.154 0.000 0.767 2118 E CB 3.005 32.844 29.700 0.232 0.000 1.220 2118 E HN 0.636 nan 8.360 nan 0.000 0.427 2119 K N 0.411 120.895 120.400 0.139 0.000 2.703 2119 K HA 0.395 4.715 4.320 0.000 0.000 0.285 2119 K C -3.268 173.516 176.600 0.307 0.000 1.014 2119 K CA -1.443 54.915 56.287 0.119 0.000 0.858 2119 K CB 1.148 33.731 32.500 0.139 0.000 1.467 2119 K HN 0.095 nan 8.250 nan 0.000 0.383 2120 P HA 0.044 nan 4.420 nan 0.000 0.274 2120 P C -1.464 176.066 177.300 0.383 0.000 1.260 2120 P CA -0.277 63.066 63.100 0.405 0.000 0.793 2120 P CB 0.162 32.053 31.700 0.317 0.000 1.048 2121 Y N -0.017 120.412 120.300 0.215 0.000 2.341 2121 Y HA 0.296 4.846 4.550 0.000 0.000 0.338 2121 Y C -0.247 175.737 175.900 0.141 0.000 0.965 2121 Y CA -0.577 57.635 58.100 0.187 0.000 1.108 2121 Y CB 1.279 39.836 38.460 0.162 0.000 1.180 2121 Y HN 0.245 nan 8.280 nan 0.000 0.458 2122 Q N 4.876 124.392 119.800 -0.473 0.000 2.349 2122 Q HA 0.266 4.607 4.340 0.000 0.000 0.254 2122 Q C -0.538 175.065 176.000 -0.661 0.000 0.980 2122 Q CA -0.472 55.109 55.803 -0.370 0.000 0.924 2122 Q CB 1.142 29.768 28.738 -0.187 0.000 1.209 2122 Q HN 0.657 nan 8.270 nan 0.000 0.445 2123 T N 1.777 116.124 114.554 -0.345 0.000 2.910 2123 T HA 0.330 4.680 4.350 0.000 0.000 0.293 2123 T C 0.250 174.898 174.700 -0.086 0.000 1.015 2123 T CA -0.527 61.471 62.100 -0.170 0.000 1.094 2123 T CB 1.002 69.908 68.868 0.063 0.000 0.968 2123 T HN 0.219 nan 8.240 nan 0.000 0.521 2124 V N 2.189 122.084 119.914 -0.031 0.000 2.975 2124 V HA 0.299 4.419 4.120 0.000 0.000 0.318 2124 V C 1.472 177.577 176.094 0.019 0.000 1.077 2124 V CA -0.690 61.606 62.300 -0.008 0.000 1.000 2124 V CB 1.752 33.577 31.823 0.003 0.000 1.066 2124 V HN 0.829 nan 8.190 nan 0.000 0.452 2125 E N 2.659 122.867 120.200 0.014 0.000 2.001 2125 E HA -0.063 4.287 4.350 0.000 0.000 0.195 2125 E C 1.846 178.462 176.600 0.026 0.000 1.002 2125 E CA 1.734 58.145 56.400 0.020 0.000 0.819 2125 E CB -0.614 29.093 29.700 0.011 0.000 0.769 2125 E HN 0.871 nan 8.360 nan 0.000 0.454 2126 G N -0.193 108.620 108.800 0.022 0.000 3.379 2126 G HA2 0.249 4.209 3.960 0.000 0.000 0.253 2126 G HA3 0.249 4.209 3.960 0.000 0.000 0.253 2126 G C -0.644 174.273 174.900 0.030 0.000 1.262 2126 G CA -0.126 44.988 45.100 0.023 0.000 0.959 2126 G HN 0.057 nan 8.290 nan 0.000 0.524 2127 V N 0.316 120.255 119.914 0.041 0.000 2.444 2127 V HA 0.296 4.416 4.120 0.000 0.000 0.294 2127 V C -0.097 176.039 176.094 0.071 0.000 1.022 2127 V CA -0.958 61.373 62.300 0.052 0.000 0.850 2127 V CB 1.693 33.552 31.823 0.059 0.000 0.992 2127 V HN 0.389 nan 8.190 nan 0.000 0.426 2128 Q N 3.337 123.165 119.800 0.047 0.000 2.286 2128 Q HA 0.629 4.969 4.340 0.000 0.000 0.257 2128 Q C 0.312 176.315 176.000 0.005 0.000 0.941 2128 Q CA -0.455 55.368 55.803 0.033 0.000 0.912 2128 Q CB 1.389 30.134 28.738 0.013 0.000 1.192 2128 Q HN 0.948 nan 8.270 nan 0.000 0.410 2129 A N 6.096 128.900 122.820 -0.027 0.000 2.540 2129 A HA 0.237 4.557 4.320 0.000 0.000 0.239 2129 A C -2.012 175.415 177.584 -0.261 0.000 1.061 2129 A CA -0.923 50.968 52.037 -0.243 0.000 0.758 2129 A CB -0.380 18.321 19.000 -0.499 0.000 0.991 2129 A HN 0.697 nan 8.150 nan 0.000 0.502 2130 P HA 0.262 nan 4.420 nan 0.000 0.272 2130 P C 0.427 177.624 177.300 -0.172 0.000 1.223 2130 P CA 0.209 63.068 63.100 -0.402 0.000 0.784 2130 P CB 0.808 31.840 31.700 -1.113 0.000 0.923 2131 G N 0.695 109.484 108.800 -0.018 0.000 2.537 2131 G HA2 0.386 4.346 3.960 0.000 0.000 0.297 2131 G HA3 0.386 4.346 3.960 0.000 0.000 0.297 2131 G C -0.339 174.696 174.900 0.224 0.000 1.310 2131 G CA -0.753 44.398 45.100 0.086 0.000 1.027 2131 G HN 0.384 nan 8.290 nan 0.000 0.505 2132 V N -0.224 119.785 119.914 0.158 0.000 2.928 2132 V HA 0.161 4.282 4.120 0.000 0.000 0.307 2132 V C -0.365 175.854 176.094 0.209 0.000 1.105 2132 V CA 0.691 63.055 62.300 0.107 0.000 1.223 2132 V CB 0.307 32.078 31.823 -0.087 0.000 0.930 2132 V HN 0.584 nan 8.190 nan 0.000 0.499 2133 Y N 3.535 123.841 120.300 0.009 0.000 2.470 2133 Y HA 0.603 5.153 4.550 0.000 0.000 0.341 2133 Y C -1.195 174.676 175.900 -0.048 0.000 1.021 2133 Y CA -1.198 56.959 58.100 0.094 0.000 1.025 2133 Y CB 1.553 40.163 38.460 0.250 0.000 1.266 2133 Y HN 0.677 nan 8.280 nan 0.000 0.448 2134 W N 3.805 124.802 121.300 -0.504 0.000 2.719 2134 W HA 0.859 5.519 4.660 0.000 0.000 0.352 2134 W C -0.084 176.013 176.519 -0.704 0.000 1.085 2134 W CA -0.853 56.228 57.345 -0.440 0.000 1.187 2134 W CB 2.032 31.300 29.460 -0.320 0.000 1.417 2134 W HN 0.851 nan 8.180 nan 0.000 0.557 2135 G N 0.804 109.246 108.800 -0.597 0.000 2.523 2135 G HA2 0.404 4.364 3.960 0.000 0.000 0.291 2135 G HA3 0.404 4.364 3.960 0.000 0.000 0.291 2135 G C -2.329 172.094 174.900 -0.794 0.000 1.450 2135 G CA -1.059 43.627 45.100 -0.691 0.000 0.790 2135 G HN 0.519 nan 8.290 nan 0.000 0.496 2136 N N -0.511 118.076 118.700 -0.188 0.000 2.430 2136 N HA 0.272 5.012 4.740 0.000 0.000 0.290 2136 N C 0.852 176.562 175.510 0.333 0.000 1.063 2136 N CA -0.514 52.577 53.050 0.069 0.000 0.883 2136 N CB 2.242 40.747 38.487 0.031 0.000 1.465 2136 N HN 0.446 nan 8.380 nan 0.000 0.493 2137 E N 2.830 123.332 120.200 0.503 0.000 2.086 2137 E HA -0.248 4.102 4.350 0.000 0.000 0.200 2137 E C 0.818 177.604 176.600 0.310 0.000 1.012 2137 E CA 1.618 58.288 56.400 0.449 0.000 0.812 2137 E CB 0.171 30.114 29.700 0.404 0.000 0.743 2137 E HN 0.640 nan 8.360 nan 0.000 0.453 2138 R N 0.065 120.743 120.500 0.295 0.000 2.115 2138 R HA -0.074 4.266 4.340 0.000 0.000 0.230 2138 R C 2.397 178.773 176.300 0.126 0.000 1.111 2138 R CA 1.011 57.225 56.100 0.190 0.000 0.976 2138 R CB -0.191 30.201 30.300 0.154 0.000 0.870 2138 R HN 0.313 nan 8.270 nan 0.000 0.445 2139 E N 1.004 121.279 120.200 0.126 0.000 2.058 2139 E HA -0.156 4.194 4.350 0.000 0.000 0.194 2139 E C 0.696 177.356 176.600 0.100 0.000 0.997 2139 E CA 0.496 56.950 56.400 0.089 0.000 0.801 2139 E CB -0.236 29.510 29.700 0.076 0.000 0.746 2139 E HN 0.152 nan 8.360 nan 0.000 0.450 2140 N N 2.047 120.833 118.700 0.143 0.000 2.412 2140 N HA -0.025 4.715 4.740 0.000 0.000 0.279 2140 N C -2.380 173.195 175.510 0.109 0.000 1.287 2140 N CA -0.689 52.448 53.050 0.144 0.000 0.948 2140 N CB 0.615 39.218 38.487 0.193 0.000 1.255 2140 N HN -0.053 nan 8.380 nan 0.000 0.485 2141 P HA 0.175 nan 4.420 nan 0.000 0.241 2141 P C 0.664 178.018 177.300 0.091 0.000 1.780 2141 P CA -0.388 62.754 63.100 0.069 0.000 1.111 2141 P CB -0.037 31.697 31.700 0.057 0.000 1.852 2142 G N 3.390 112.240 108.800 0.083 0.000 2.492 2142 G HA2 0.030 3.990 3.960 0.000 0.000 0.353 2142 G HA3 0.030 3.990 3.960 0.000 0.000 0.353 2142 G C -0.577 174.415 174.900 0.153 0.000 1.297 2142 G CA -0.005 45.155 45.100 0.102 0.000 1.192 2142 G HN 0.533 nan 8.290 nan 0.000 0.677 2143 Y N -2.428 117.893 120.300 0.036 0.000 2.485 2143 Y HA 0.678 5.228 4.550 0.000 0.000 0.345 2143 Y C -2.471 173.459 175.900 0.050 0.000 0.998 2143 Y CA -4.000 54.120 58.100 0.032 0.000 1.059 2143 Y CB 0.979 39.449 38.460 0.015 0.000 1.234 2143 Y HN 0.336 nan 8.280 nan 0.000 0.461 2144 P HA -0.032 nan 4.420 nan 0.000 0.271 2144 P C 0.548 177.883 177.300 0.058 0.000 1.233 2144 P CA 0.154 63.274 63.100 0.034 0.000 0.764 2144 P CB 0.722 32.458 31.700 0.059 0.000 0.825 2145 F N 4.269 124.107 119.950 -0.187 0.000 2.094 2145 F HA -0.252 4.276 4.527 0.000 0.000 0.300 2145 F C 1.691 177.515 175.800 0.039 0.000 1.217 2145 F CA 2.002 59.925 58.000 -0.129 0.000 1.229 2145 F CB -0.643 38.238 39.000 -0.198 0.000 0.934 2145 F HN 0.275 nan 8.300 nan 0.000 0.542 2146 E N 0.051 120.185 120.200 -0.111 0.000 2.311 2146 E HA 0.255 4.605 4.350 0.000 0.000 0.198 2146 E C 0.698 177.277 176.600 -0.035 0.000 1.115 2146 E CA 0.574 56.873 56.400 -0.168 0.000 1.140 2146 E CB -0.546 29.145 29.700 -0.015 0.000 1.204 2146 E HN 0.658 nan 8.360 nan 0.000 0.446 2147 G N 0.862 109.658 108.800 -0.006 0.000 2.157 2147 G HA2 -0.261 3.699 3.960 0.000 0.000 0.239 2147 G HA3 -0.261 3.699 3.960 0.000 0.000 0.239 2147 G C -0.122 174.784 174.900 0.011 0.000 0.982 2147 G CA 0.046 45.153 45.100 0.011 0.000 0.650 2147 G HN 0.389 nan 8.290 nan 0.000 0.527 2148 D N 1.386 121.800 120.400 0.022 0.000 2.359 2148 D HA 0.367 5.008 4.640 0.000 0.000 0.230 2148 D C 1.354 177.655 176.300 0.002 0.000 1.118 2148 D CA -0.183 53.816 54.000 -0.002 0.000 0.844 2148 D CB 0.559 41.372 40.800 0.022 0.000 1.059 2148 D HN 0.282 nan 8.370 nan 0.000 0.493 2149 D N 2.672 123.055 120.400 -0.028 0.000 2.371 2149 D HA -0.161 4.479 4.640 0.000 0.000 0.234 2149 D C 0.323 176.747 176.300 0.207 0.000 1.049 2149 D CA 0.248 54.279 54.000 0.052 0.000 0.907 2149 D CB 0.026 40.849 40.800 0.037 0.000 0.891 2149 D HN 0.404 nan 8.370 nan 0.000 0.531 2150 H N -0.001 119.071 119.070 0.003 0.000 2.594 2150 H HA 0.389 4.945 4.556 0.000 0.000 0.279 2150 H C -0.067 175.111 175.328 -0.250 0.000 1.042 2150 H CA -0.312 55.662 56.048 -0.123 0.000 1.177 2150 H CB 0.859 30.512 29.762 -0.181 0.000 1.524 2150 H HN 0.149 nan 8.280 nan 0.000 0.537 2151 L N 1.587 122.773 121.223 -0.062 0.000 2.490 2151 L HA 0.304 4.644 4.340 0.000 0.000 0.256 2151 L C -1.307 175.437 176.870 -0.211 0.000 1.089 2151 L CA -0.701 53.953 54.840 -0.311 0.000 0.916 2151 L CB 0.579 42.446 42.059 -0.320 0.000 1.188 2151 L HN -0.066 nan 8.230 nan 0.000 0.476 2152 I N 3.107 123.586 120.570 -0.151 0.000 2.315 2152 I HA 0.395 4.565 4.170 0.000 0.000 0.291 2152 I C 0.634 176.573 176.117 -0.297 0.000 1.006 2152 I CA 0.180 61.388 61.300 -0.154 0.000 1.265 2152 I CB 1.697 39.695 38.000 -0.004 0.000 1.387 2152 I HN 0.466 nan 8.210 nan 0.000 0.475 2153 A N 7.354 129.888 122.820 -0.476 0.000 2.305 2153 A HA 0.811 5.131 4.320 0.000 0.000 0.322 2153 A C -0.047 177.328 177.584 -0.347 0.000 1.187 2153 A CA -0.687 51.061 52.037 -0.483 0.000 0.825 2153 A CB 0.538 19.181 19.000 -0.595 0.000 1.164 2153 A HN 0.683 nan 8.150 nan 0.000 0.498 2154 R N 2.208 122.633 120.500 -0.125 0.000 2.422 2154 R HA 0.255 4.595 4.340 0.000 0.000 0.307 2154 R C -1.049 175.272 176.300 0.035 0.000 1.004 2154 R CA -0.481 55.630 56.100 0.017 0.000 0.882 2154 R CB 1.913 32.234 30.300 0.034 0.000 1.164 2154 R HN 0.683 nan 8.270 nan 0.000 0.489 2155 K N 3.368 123.826 120.400 0.097 0.000 2.349 2155 K HA 0.129 4.449 4.320 0.000 0.000 0.288 2155 K C 0.918 177.512 176.600 -0.010 0.000 1.058 2155 K CA -0.031 56.256 56.287 -0.001 0.000 0.953 2155 K CB 0.970 33.464 32.500 -0.010 0.000 0.997 2155 K HN 0.444 nan 8.250 nan 0.000 0.477 2156 L N 3.150 124.316 121.223 -0.094 0.000 2.375 2156 L HA 0.124 4.464 4.340 0.000 0.000 0.215 2156 L C 0.417 177.299 176.870 0.020 0.000 1.108 2156 L CA 0.410 55.245 54.840 -0.009 0.000 0.830 2156 L CB -0.040 41.828 42.059 -0.319 0.000 0.959 2156 L HN 0.448 nan 8.230 nan 0.000 0.457 2157 L N 0.673 121.705 121.223 -0.318 0.000 2.342 2157 L HA 0.448 4.788 4.340 0.000 0.000 0.271 2157 L C -2.226 174.144 176.870 -0.833 0.000 1.008 2157 L CA -2.078 52.344 54.840 -0.697 0.000 0.818 2157 L CB 1.901 43.395 42.059 -0.942 0.000 1.296 2157 L HN -0.244 nan 8.230 nan 0.000 0.427 2158 P HA -0.067 nan 4.420 nan 0.000 0.265 2158 P C -0.853 176.032 177.300 -0.691 0.000 1.193 2158 P CA -0.051 62.603 63.100 -0.743 0.000 0.765 2158 P CB 0.744 32.056 31.700 -0.645 0.000 0.823 2159 D N 2.788 122.959 120.400 -0.382 0.000 2.713 2159 D HA 0.085 4.725 4.640 0.000 0.000 0.229 2159 D C -0.241 175.954 176.300 -0.175 0.000 1.136 2159 D CA 0.026 53.858 54.000 -0.280 0.000 1.010 2159 D CB -0.231 40.452 40.800 -0.196 0.000 1.084 2159 D HN 0.306 nan 8.370 nan 0.000 0.495 2160 E N 0.455 120.569 120.200 -0.143 0.000 2.227 2160 E HA 0.298 4.648 4.350 0.000 0.000 0.268 2160 E C -1.843 174.789 176.600 0.052 0.000 0.907 2160 E CA -2.053 54.340 56.400 -0.011 0.000 0.786 2160 E CB 1.646 31.380 29.700 0.056 0.000 1.191 2160 E HN -0.081 nan 8.360 nan 0.000 0.411 2161 P HA -0.175 nan 4.420 nan 0.000 0.223 2161 P C 0.803 178.148 177.300 0.074 0.000 1.144 2161 P CA 1.073 64.200 63.100 0.045 0.000 0.783 2161 P CB 0.180 31.897 31.700 0.028 0.000 0.771 2162 A N -1.412 121.468 122.820 0.099 0.000 1.930 2162 A HA -0.089 4.231 4.320 0.000 0.000 0.217 2162 A C 0.823 178.449 177.584 0.070 0.000 1.175 2162 A CA 0.739 52.819 52.037 0.070 0.000 0.627 2162 A CB -1.245 17.751 19.000 -0.007 0.000 0.815 2162 A HN 0.057 nan 8.150 nan 0.000 0.443 2163 F N 0.249 120.167 119.950 -0.054 0.000 2.471 2163 F HA 0.124 4.651 4.527 0.000 0.000 0.353 2163 F C 1.467 177.248 175.800 -0.030 0.000 1.113 2163 F CA -0.048 57.888 58.000 -0.107 0.000 1.262 2163 F CB 0.505 39.274 39.000 -0.384 0.000 1.146 2163 F HN 0.159 nan 8.300 nan 0.000 0.578 2164 D N 1.907 122.454 120.400 0.245 0.000 2.234 2164 D HA -0.058 4.583 4.640 0.000 0.000 0.205 2164 D C -0.034 176.415 176.300 0.248 0.000 0.962 2164 D CA 0.994 55.140 54.000 0.244 0.000 0.855 2164 D CB 0.235 41.309 40.800 0.456 0.000 0.951 2164 D HN 0.302 nan 8.370 nan 0.000 0.500 2165 F N -1.376 118.571 119.950 -0.004 0.000 3.016 2165 F HA 0.590 5.117 4.527 0.000 0.000 0.324 2165 F C -1.176 174.420 175.800 -0.339 0.000 1.196 2165 F CA -1.518 56.317 58.000 -0.275 0.000 0.929 2165 F CB 1.006 39.716 39.000 -0.483 0.000 1.440 2165 F HN -0.253 nan 8.300 nan 0.000 0.505 2166 M N 1.693 121.048 119.600 -0.409 0.000 2.484 2166 M HA 0.781 5.261 4.480 0.000 0.000 0.289 2166 M C -2.359 173.619 176.300 -0.538 0.000 1.206 2166 M CA -0.677 54.301 55.300 -0.537 0.000 0.892 2166 M CB 2.352 34.696 32.600 -0.427 0.000 1.712 2166 M HN 0.548 nan 8.290 nan 0.000 0.462 2167 V N 2.980 122.538 119.914 -0.594 0.000 2.735 2167 V HA 0.976 5.096 4.120 0.000 0.000 0.310 2167 V C -0.713 175.113 176.094 -0.447 0.000 1.061 2167 V CA -0.203 61.703 62.300 -0.656 0.000 0.913 2167 V CB 1.870 33.046 31.823 -1.078 0.000 1.005 2167 V HN 1.052 nan 8.190 nan 0.000 0.428 2168 S N 1.635 117.136 115.700 -0.330 0.000 2.656 2168 S HA 0.831 5.301 4.470 0.000 0.000 0.273 2168 S C -0.647 173.865 174.600 -0.146 0.000 1.168 2168 S CA -0.470 57.610 58.200 -0.200 0.000 0.817 2168 S CB 2.219 65.332 63.200 -0.145 0.000 1.146 2168 S HN 1.063 nan 8.310 nan 0.000 0.475 2169 T N -0.697 113.785 114.554 -0.120 0.000 2.841 2169 T HA 0.708 5.058 4.350 0.000 0.000 0.283 2169 T C -0.743 173.832 174.700 -0.209 0.000 1.000 2169 T CA -0.808 61.214 62.100 -0.131 0.000 0.977 2169 T CB 1.165 69.972 68.868 -0.102 0.000 0.979 2169 T HN 0.563 nan 8.240 nan 0.000 0.446 2170 M N 2.882 122.256 119.600 -0.377 0.000 2.181 2170 M HA 0.464 4.944 4.480 0.000 0.000 0.323 2170 M C -0.583 175.428 176.300 -0.482 0.000 1.004 2170 M CA -0.509 54.446 55.300 -0.575 0.000 0.941 2170 M CB 1.631 33.747 32.600 -0.807 0.000 1.579 2170 M HN 0.764 nan 8.290 nan 0.000 0.427 2171 S N 3.514 118.999 115.700 -0.358 0.000 2.454 2171 S HA 0.814 5.285 4.470 0.000 0.000 0.306 2171 S C -0.992 173.536 174.600 -0.119 0.000 1.100 2171 S CA -0.473 57.736 58.200 0.014 0.000 1.087 2171 S CB 1.033 64.359 63.200 0.211 0.000 1.019 2171 S HN 0.406 nan 8.310 nan 0.000 0.480 2172 F N 1.379 121.324 119.950 -0.008 0.000 2.520 2172 F HA 0.675 5.202 4.527 0.000 0.000 0.322 2172 F C 0.506 175.789 175.800 -0.862 0.000 1.103 2172 F CA -1.087 56.722 58.000 -0.318 0.000 0.926 2172 F CB 1.178 40.066 39.000 -0.187 0.000 1.154 2172 F HN 0.633 nan 8.300 nan 0.000 0.453 2173 A N 3.854 125.869 122.820 -1.342 0.000 2.351 2173 A HA 0.467 4.787 4.320 0.000 0.000 0.257 2173 A C -1.659 175.440 177.584 -0.808 0.000 1.087 2173 A CA -1.284 49.599 52.037 -1.924 0.000 0.798 2173 A CB 0.070 18.049 19.000 -1.701 0.000 1.033 2173 A HN 0.641 nan 8.150 nan 0.000 0.488 2174 P HA -0.244 nan 4.420 nan 0.000 0.222 2174 P C 1.259 178.426 177.300 -0.222 0.000 1.155 2174 P CA 2.544 65.479 63.100 -0.276 0.000 0.890 2174 P CB 0.180 31.774 31.700 -0.177 0.000 0.790 2175 G N -2.688 105.979 108.800 -0.223 0.000 3.126 2175 G HA2 0.366 4.326 3.960 0.000 0.000 0.224 2175 G HA3 0.366 4.326 3.960 0.000 0.000 0.224 2175 G C 0.459 175.305 174.900 -0.091 0.000 1.142 2175 G CA 0.399 45.422 45.100 -0.128 0.000 0.759 2175 G HN 0.458 nan 8.290 nan 0.000 0.550 2176 A N 0.496 123.247 122.820 -0.115 0.000 2.386 2176 A HA 0.678 4.998 4.320 0.000 0.000 0.246 2176 A C 0.654 178.268 177.584 0.050 0.000 1.089 2176 A CA 0.631 52.668 52.037 0.000 0.000 0.790 2176 A CB 0.376 19.362 19.000 -0.024 0.000 1.042 2176 A HN 1.213 nan 8.150 nan 0.000 0.497 2177 S N -0.508 115.268 115.700 0.126 0.000 2.587 2177 S HA 0.555 5.025 4.470 0.000 0.000 0.269 2177 S C -0.782 173.876 174.600 0.098 0.000 1.154 2177 S CA -0.878 57.326 58.200 0.006 0.000 0.824 2177 S CB 0.148 63.388 63.200 0.066 0.000 1.118 2177 S HN 0.712 nan 8.310 nan 0.000 0.462 2178 L N 2.196 123.377 121.223 -0.070 0.000 2.483 2178 L HA 0.267 4.607 4.340 0.000 0.000 0.276 2178 L C -0.884 176.049 176.870 0.104 0.000 1.213 2178 L CA -1.601 53.194 54.840 -0.075 0.000 0.843 2178 L CB 0.473 42.415 42.059 -0.195 0.000 1.107 2178 L HN 0.661 nan 8.230 nan 0.000 0.487 2179 P HA -0.120 nan 4.420 nan 0.000 0.223 2179 P C -0.774 176.640 177.300 0.190 0.000 1.151 2179 P CA 1.391 64.558 63.100 0.113 0.000 0.787 2179 P CB 0.129 31.917 31.700 0.146 0.000 0.788 2180 Y N -3.292 117.162 120.300 0.258 0.000 2.656 2180 Y HA 0.719 5.269 4.550 0.000 0.000 0.334 2180 Y C -1.061 174.969 175.900 0.217 0.000 1.179 2180 Y CA -2.609 55.599 58.100 0.180 0.000 1.050 2180 Y CB 0.170 38.697 38.460 0.112 0.000 1.308 2180 Y HN -0.082 nan 8.280 nan 0.000 0.456 2181 A N 1.459 124.495 122.820 0.359 0.000 2.409 2181 A HA 0.438 4.758 4.320 0.000 0.000 0.262 2181 A C -0.314 177.447 177.584 0.294 0.000 1.113 2181 A CA -0.441 51.750 52.037 0.257 0.000 0.790 2181 A CB -0.116 18.948 19.000 0.107 0.000 1.046 2181 A HN 0.739 nan 8.150 nan 0.000 0.496 2182 E N 0.781 121.067 120.200 0.144 0.000 2.266 2182 E HA 0.531 4.881 4.350 0.000 0.000 0.277 2182 E C -1.215 175.260 176.600 -0.208 0.000 1.018 2182 E CA -0.427 55.973 56.400 0.000 0.000 0.840 2182 E CB 1.787 31.383 29.700 -0.173 0.000 1.082 2182 E HN 0.355 nan 8.360 nan 0.000 0.395 2183 V N 4.359 124.112 119.914 -0.269 0.000 2.567 2183 V HA 0.308 4.428 4.120 0.000 0.000 0.298 2183 V C -0.821 175.160 176.094 -0.188 0.000 1.047 2183 V CA -0.676 61.505 62.300 -0.197 0.000 0.880 2183 V CB 1.141 32.944 31.823 -0.033 0.000 1.009 2183 V HN 0.757 nan 8.190 nan 0.000 0.429 2184 H N 2.203 121.171 119.070 -0.169 0.000 3.037 2184 H HA 0.381 4.937 4.556 0.000 0.000 0.355 2184 H C 0.383 175.405 175.328 -0.510 0.000 1.263 2184 H CA -0.722 55.200 56.048 -0.211 0.000 1.129 2184 H CB 1.581 31.311 29.762 -0.052 0.000 1.861 2184 H HN 0.530 nan 8.280 nan 0.000 0.546 2185 Y N 1.502 121.537 120.300 -0.442 0.000 2.181 2185 Y HA -0.053 4.497 4.550 0.000 0.000 0.288 2185 Y C 1.197 177.023 175.900 -0.124 0.000 1.146 2185 Y CA 0.110 57.986 58.100 -0.372 0.000 1.164 2185 Y CB -0.205 38.253 38.460 -0.003 0.000 0.982 2185 Y HN 0.477 nan 8.280 nan 0.000 0.515 2186 M N 2.128 121.038 119.600 -1.151 0.000 2.252 2186 M HA 0.119 4.600 4.480 0.000 0.000 0.348 2186 M C -0.330 175.758 176.300 -0.353 0.000 1.334 2186 M CA 0.579 55.351 55.300 -0.881 0.000 1.071 2186 M CB 0.532 32.533 32.600 -0.999 0.000 1.763 2186 M HN 0.283 nan 8.290 nan 0.000 0.452 2187 E N 1.289 121.406 120.200 -0.137 0.000 2.376 2187 E HA 0.284 4.634 4.350 0.000 0.000 0.254 2187 E C -1.056 175.630 176.600 0.143 0.000 1.213 2187 E CA -0.324 56.121 56.400 0.075 0.000 0.945 2187 E CB 0.678 30.550 29.700 0.285 0.000 1.057 2187 E HN 0.612 nan 8.360 nan 0.000 0.479 2188 H N -1.424 117.599 119.070 -0.078 0.000 2.717 2188 H HA 0.456 5.012 4.556 0.000 0.000 0.366 2188 H C -0.520 174.909 175.328 0.168 0.000 1.132 2188 H CA -0.627 55.394 56.048 -0.046 0.000 1.180 2188 H CB 2.091 31.769 29.762 -0.141 0.000 1.678 2188 H HN 0.538 nan 8.280 nan 0.000 0.537 2189 G N 2.655 111.614 108.800 0.265 0.000 2.533 2189 G HA2 0.476 4.436 3.960 0.000 0.000 0.310 2189 G HA3 0.476 4.436 3.960 0.000 0.000 0.310 2189 G C -1.422 173.615 174.900 0.228 0.000 1.266 2189 G CA -0.352 44.985 45.100 0.395 0.000 0.967 2189 G HN 0.402 nan 8.290 nan 0.000 0.493 2190 L N 3.519 124.801 121.223 0.098 0.000 2.346 2190 L HA 0.816 5.156 4.340 0.000 0.000 0.276 2190 L C -1.485 175.349 176.870 -0.060 0.000 1.006 2190 L CA -1.214 53.590 54.840 -0.060 0.000 0.817 2190 L CB 1.812 43.684 42.059 -0.311 0.000 1.272 2190 L HN 0.432 nan 8.230 nan 0.000 0.421 2191 L N 5.668 126.870 121.223 -0.035 0.000 2.406 2191 L HA 0.500 4.840 4.340 0.000 0.000 0.272 2191 L C -0.818 176.057 176.870 0.008 0.000 0.980 2191 L CA -0.427 54.392 54.840 -0.035 0.000 0.831 2191 L CB 1.757 43.797 42.059 -0.032 0.000 1.253 2191 L HN 0.538 nan 8.230 nan 0.000 0.406 2192 M N 5.989 125.593 119.600 0.007 0.000 2.184 2192 M HA 0.183 4.663 4.480 0.000 0.000 0.351 2192 M C 0.675 177.040 176.300 0.107 0.000 1.395 2192 M CA 0.364 55.705 55.300 0.067 0.000 1.117 2192 M CB 1.042 33.668 32.600 0.043 0.000 1.708 2192 M HN 0.766 nan 8.290 nan 0.000 0.468 2193 L N 1.417 122.726 121.223 0.144 0.000 2.286 2193 L HA 0.140 4.480 4.340 0.000 0.000 0.203 2193 L C 0.489 177.496 176.870 0.228 0.000 1.068 2193 L CA 0.785 55.742 54.840 0.196 0.000 0.811 2193 L CB 0.282 42.452 42.059 0.186 0.000 0.989 2193 L HN 0.658 nan 8.230 nan 0.000 0.467 2194 E N -1.628 118.697 120.200 0.208 0.000 2.408 2194 E HA 0.515 4.865 4.350 0.000 0.000 0.275 2194 E C -0.344 176.366 176.600 0.183 0.000 0.935 2194 E CA -0.185 56.337 56.400 0.203 0.000 0.775 2194 E CB 2.328 32.170 29.700 0.236 0.000 1.277 2194 E HN 0.108 nan 8.360 nan 0.000 0.455 2195 G N 1.501 110.402 108.800 0.168 0.000 2.598 2195 G HA2 -0.212 3.748 3.960 0.000 0.000 0.244 2195 G HA3 -0.212 3.748 3.960 0.000 0.000 0.244 2195 G C -0.645 174.340 174.900 0.141 0.000 1.302 2195 G CA 0.347 45.541 45.100 0.157 0.000 0.903 2195 G HN 0.797 nan 8.290 nan 0.000 0.575 2196 E N -2.010 118.278 120.200 0.148 0.000 2.409 2196 E HA 0.665 5.015 4.350 0.000 0.000 0.280 2196 E C 0.013 176.697 176.600 0.140 0.000 1.079 2196 E CA -0.431 56.059 56.400 0.149 0.000 0.840 2196 E CB 1.213 30.969 29.700 0.094 0.000 1.309 2196 E HN 2.354 nan 8.360 nan 0.000 0.447 2197 G N 0.095 108.975 108.800 0.133 0.000 2.392 2197 G HA2 0.364 4.325 3.960 0.000 0.000 0.260 2197 G HA3 0.364 4.325 3.960 0.000 0.000 0.260 2197 G C -1.864 173.034 174.900 -0.003 0.000 1.226 2197 G CA -0.894 44.165 45.100 -0.069 0.000 0.913 2197 G HN 0.400 nan 8.290 nan 0.000 0.483 2198 L N 0.497 121.605 121.223 -0.193 0.000 2.349 2198 L HA 0.531 4.871 4.340 0.000 0.000 0.278 2198 L C -1.385 175.541 176.870 0.093 0.000 0.996 2198 L CA -0.691 54.191 54.840 0.071 0.000 0.825 2198 L CB 2.186 44.337 42.059 0.154 0.000 1.243 2198 L HN 0.583 nan 8.230 nan 0.000 0.412 2199 Y N 3.512 123.968 120.300 0.259 0.000 2.331 2199 Y HA 0.294 4.844 4.550 0.000 0.000 0.338 2199 Y C 0.091 176.112 175.900 0.202 0.000 0.976 2199 Y CA -0.417 57.824 58.100 0.234 0.000 1.137 2199 Y CB 1.575 40.109 38.460 0.125 0.000 1.172 2199 Y HN 0.425 nan 8.280 nan 0.000 0.478 2200 K N 6.680 127.250 120.400 0.283 0.000 2.234 2200 K HA 0.483 4.803 4.320 0.000 0.000 0.277 2200 K C -1.739 174.886 176.600 0.042 0.000 1.038 2200 K CA -0.385 55.894 56.287 -0.014 0.000 0.888 2200 K CB 0.473 32.804 32.500 -0.283 0.000 1.091 2200 K HN 0.721 nan 8.250 nan 0.000 0.467 2201 L N 5.197 126.350 121.223 -0.117 0.000 2.372 2201 L HA 0.265 4.605 4.340 0.000 0.000 0.274 2201 L C 0.260 176.889 176.870 -0.402 0.000 0.988 2201 L CA -0.380 54.223 54.840 -0.395 0.000 0.833 2201 L CB 1.508 42.988 42.059 -0.966 0.000 1.236 2201 L HN 0.994 nan 8.230 nan 0.000 0.410 2202 E N 1.329 121.388 120.200 -0.236 0.000 3.141 2202 E HA -0.357 3.993 4.350 0.000 0.000 0.398 2202 E C 0.390 176.922 176.600 -0.114 0.000 1.504 2202 E CA 1.666 57.997 56.400 -0.115 0.000 1.266 2202 E CB -0.386 29.299 29.700 -0.025 0.000 1.586 2202 E HN 0.694 nan 8.360 nan 0.000 0.497 2203 E N 1.135 121.294 120.200 -0.068 0.000 2.476 2203 E HA 0.152 4.502 4.350 0.000 0.000 0.199 2203 E C -0.404 176.140 176.600 -0.093 0.000 1.021 2203 E CA 0.082 56.443 56.400 -0.065 0.000 0.907 2203 E CB 0.332 30.032 29.700 -0.001 0.000 0.974 2203 E HN 0.168 nan 8.360 nan 0.000 0.489 2204 N N -0.350 118.289 118.700 -0.102 0.000 2.443 2204 N HA 0.204 4.944 4.740 0.000 0.000 0.293 2204 N C -1.083 174.298 175.510 -0.215 0.000 1.159 2204 N CA -0.389 52.589 53.050 -0.121 0.000 0.904 2204 N CB 0.898 39.295 38.487 -0.150 0.000 1.214 2204 N HN -0.057 nan 8.380 nan 0.000 0.513 2205 Y N 0.437 120.665 120.300 -0.120 0.000 2.352 2205 Y HA 0.371 4.921 4.550 0.000 0.000 0.339 2205 Y C -0.706 175.113 175.900 -0.135 0.000 0.992 2205 Y CA -0.534 57.571 58.100 0.009 0.000 1.100 2205 Y CB 1.053 39.517 38.460 0.007 0.000 1.192 2205 Y HN 0.362 nan 8.280 nan 0.000 0.458 2206 Y N 4.198 124.625 120.300 0.211 0.000 2.350 2206 Y HA 0.400 4.950 4.550 0.000 0.000 0.338 2206 Y C -2.473 173.529 175.900 0.170 0.000 0.961 2206 Y CA -3.133 55.064 58.100 0.162 0.000 1.100 2206 Y CB 1.717 40.249 38.460 0.121 0.000 1.179 2206 Y HN 0.371 nan 8.280 nan 0.000 0.454 2207 P HA 0.260 nan 4.420 nan 0.000 0.282 2207 P C -0.887 176.527 177.300 0.191 0.000 1.262 2207 P CA -0.104 63.103 63.100 0.179 0.000 0.773 2207 P CB 1.722 33.487 31.700 0.108 0.000 0.879 2208 V N 0.771 120.800 119.914 0.192 0.000 3.130 2208 V HA 0.922 5.042 4.120 0.000 0.000 0.310 2208 V C -0.467 175.710 176.094 0.138 0.000 1.158 2208 V CA -0.700 61.694 62.300 0.158 0.000 1.029 2208 V CB 1.918 33.840 31.823 0.165 0.000 1.057 2208 V HN 0.685 nan 8.190 nan 0.000 0.436 2209 T N -0.554 114.058 114.554 0.097 0.000 2.812 2209 T HA 0.853 5.203 4.350 0.000 0.000 0.294 2209 T C 0.120 174.868 174.700 0.080 0.000 1.159 2209 T CA -0.338 61.817 62.100 0.092 0.000 1.008 2209 T CB 1.204 70.116 68.868 0.073 0.000 1.289 2209 T HN 1.985 nan 8.240 nan 0.000 0.514 2210 A N -0.240 122.636 122.820 0.094 0.000 2.567 2210 A HA 0.497 4.817 4.320 0.000 0.000 0.240 2210 A C 1.596 179.231 177.584 0.085 0.000 1.053 2210 A CA 0.868 52.966 52.037 0.102 0.000 0.755 2210 A CB -1.309 17.763 19.000 0.120 0.000 0.978 2210 A HN 2.320 nan 8.150 nan 0.000 0.507 2211 G N 2.045 110.899 108.800 0.089 0.000 2.376 2211 G HA2 -0.175 3.785 3.960 0.000 0.000 0.208 2211 G HA3 -0.175 3.785 3.960 0.000 0.000 0.208 2211 G C -0.044 174.903 174.900 0.077 0.000 1.032 2211 G CA 0.173 45.330 45.100 0.095 0.000 0.641 2211 G HN 0.815 nan 8.290 nan 0.000 0.503 2212 D N 1.203 121.622 120.400 0.031 0.000 2.455 2212 D HA 0.508 5.148 4.640 0.000 0.000 0.241 2212 D C 0.273 176.550 176.300 -0.039 0.000 1.138 2212 D CA 0.354 54.353 54.000 -0.002 0.000 0.877 2212 D CB 1.285 42.079 40.800 -0.010 0.000 1.187 2212 D HN 0.260 nan 8.370 nan 0.000 0.451 2213 I N 2.161 122.697 120.570 -0.057 0.000 2.525 2213 I HA 0.407 4.577 4.170 0.000 0.000 0.301 2213 I C -0.059 176.000 176.117 -0.097 0.000 0.992 2213 I CA -0.468 60.762 61.300 -0.116 0.000 1.162 2213 I CB 1.401 39.260 38.000 -0.235 0.000 1.332 2213 I HN 0.207 nan 8.210 nan 0.000 0.458 2214 I N 3.944 124.445 120.570 -0.115 0.000 2.569 2214 I HA 0.240 4.410 4.170 0.000 0.000 0.290 2214 I C -1.690 174.425 176.117 -0.002 0.000 1.088 2214 I CA -0.610 60.605 61.300 -0.142 0.000 1.047 2214 I CB 1.975 39.732 38.000 -0.405 0.000 1.237 2214 I HN 0.585 nan 8.210 nan 0.000 0.421 2215 W N 8.538 129.779 121.300 -0.099 0.000 2.376 2215 W HA 0.657 5.317 4.660 0.000 0.000 0.312 2215 W C -1.451 175.065 176.519 -0.004 0.000 1.060 2215 W CA -0.933 56.405 57.345 -0.012 0.000 1.221 2215 W CB 1.257 30.714 29.460 -0.004 0.000 1.281 2215 W HN 0.288 nan 8.180 nan 0.000 0.456 2216 M N 6.712 125.877 119.600 -0.724 0.000 2.114 2216 M HA 0.391 4.871 4.480 0.000 0.000 0.332 2216 M C 0.763 176.445 176.300 -1.031 0.000 1.014 2216 M CA -0.630 54.221 55.300 -0.748 0.000 0.956 2216 M CB 1.451 33.793 32.600 -0.430 0.000 1.551 2216 M HN 0.643 nan 8.290 nan 0.000 0.427 2217 G N 1.931 110.048 108.800 -1.138 0.000 2.539 2217 G HA2 0.550 4.510 3.960 0.000 0.000 0.258 2217 G HA3 0.550 4.510 3.960 0.000 0.000 0.258 2217 G C -0.084 174.689 174.900 -0.211 0.000 1.202 2217 G CA -0.657 44.009 45.100 -0.724 0.000 0.851 2217 G HN 0.903 nan 8.290 nan 0.000 0.556 2218 A N 0.353 123.183 122.820 0.017 0.000 2.567 2218 A HA 0.359 4.679 4.320 0.000 0.000 0.240 2218 A C 0.814 178.542 177.584 0.241 0.000 1.053 2218 A CA 0.754 52.870 52.037 0.132 0.000 0.755 2218 A CB -0.531 18.656 19.000 0.311 0.000 0.978 2218 A HN 1.407 nan 8.150 nan 0.000 0.507 2219 H N -1.416 117.697 119.070 0.071 0.000 2.992 2219 H HA -0.174 4.382 4.556 0.000 0.000 0.266 2219 H C 0.239 175.569 175.328 0.004 0.000 1.200 2219 H CA 0.830 56.917 56.048 0.064 0.000 1.135 2219 H CB -2.289 27.515 29.762 0.070 0.000 1.282 2219 H HN 0.901 nan 8.280 nan 0.000 0.351 2220 C N 2.215 121.518 119.300 0.005 0.000 2.349 2220 C HA 0.336 4.796 4.460 0.000 0.000 0.348 2220 C C -1.867 173.074 174.990 -0.082 0.000 1.223 2220 C CA -1.895 57.090 59.018 -0.055 0.000 1.746 2220 C CB -0.424 27.221 27.740 -0.158 0.000 2.360 2220 C HN 0.198 nan 8.230 nan 0.000 0.533 2221 P HA 0.111 nan 4.420 nan 0.000 0.261 2221 P C -0.983 176.281 177.300 -0.059 0.000 1.183 2221 P CA 0.836 63.906 63.100 -0.050 0.000 0.761 2221 P CB 0.240 31.919 31.700 -0.035 0.000 0.785 2222 Q N 2.482 122.269 119.800 -0.021 0.000 2.389 2222 Q HA 0.738 5.078 4.340 0.000 0.000 0.277 2222 Q C -1.644 174.447 176.000 0.151 0.000 1.082 2222 Q CA -1.010 54.833 55.803 0.067 0.000 0.810 2222 Q CB 2.387 31.154 28.738 0.048 0.000 1.374 2222 Q HN 0.454 nan 8.270 nan 0.000 0.422 2223 W N 1.957 123.186 121.300 -0.118 0.000 3.248 2223 W HA 0.620 5.280 4.660 0.000 0.000 0.311 2223 W C -2.504 173.718 176.519 -0.495 0.000 1.258 2223 W CA -0.716 56.498 57.345 -0.219 0.000 1.191 2223 W CB 1.557 30.931 29.460 -0.144 0.000 1.389 2223 W HN 0.754 nan 8.180 nan 0.000 0.561 2224 Y N 2.958 122.171 120.300 -1.812 0.000 2.504 2224 Y HA 0.690 5.240 4.550 0.000 0.000 0.344 2224 Y C -0.417 174.200 175.900 -2.138 0.000 1.023 2224 Y CA -0.808 56.147 58.100 -1.908 0.000 1.020 2224 Y CB 2.349 39.883 38.460 -1.543 0.000 1.282 2224 Y HN 0.708 nan 8.280 nan 0.000 0.454 2225 G N 3.070 110.431 108.800 -2.399 0.000 2.626 2225 G HA2 0.620 4.580 3.960 0.000 0.000 0.304 2225 G HA3 0.620 4.580 3.960 0.000 0.000 0.304 2225 G C -1.492 172.532 174.900 -1.461 0.000 1.385 2225 G CA -0.583 43.625 45.100 -1.487 0.000 0.957 2225 G HN 0.869 nan 8.290 nan 0.000 0.504 2226 A N 2.574 124.812 122.820 -0.969 0.000 2.363 2226 A HA 0.813 5.133 4.320 0.000 0.000 0.270 2226 A C -0.002 177.398 177.584 -0.307 0.000 1.121 2226 A CA -0.193 51.508 52.037 -0.561 0.000 0.800 2226 A CB 0.485 19.337 19.000 -0.247 0.000 1.052 2226 A HN 0.668 nan 8.150 nan 0.000 0.493 2227 L N 1.372 122.478 121.223 -0.194 0.000 2.230 2227 L HA 0.814 5.154 4.340 0.000 0.000 0.255 2227 L C 0.870 177.710 176.870 -0.051 0.000 1.039 2227 L CA -0.168 54.604 54.840 -0.113 0.000 0.846 2227 L CB 1.852 43.855 42.059 -0.094 0.000 1.419 2227 L HN 1.249 nan 8.230 nan 0.000 0.435 2228 G N 0.301 109.081 108.800 -0.032 0.000 2.681 2228 G HA2 -0.200 3.760 3.960 0.000 0.000 0.220 2228 G HA3 -0.200 3.760 3.960 0.000 0.000 0.220 2228 G C 0.112 175.013 174.900 0.000 0.000 1.353 2228 G CA -0.066 45.032 45.100 -0.003 0.000 0.872 2228 G HN 0.660 nan 8.290 nan 0.000 0.557 2229 R N 0.271 120.787 120.500 0.026 0.000 2.223 2229 R HA 0.103 4.443 4.340 0.000 0.000 0.198 2229 R C 0.627 176.977 176.300 0.083 0.000 0.984 2229 R CA 0.289 56.413 56.100 0.040 0.000 1.018 2229 R CB -0.019 30.307 30.300 0.043 0.000 0.945 2229 R HN 0.529 nan 8.270 nan 0.000 0.479 2230 N N 0.162 118.925 118.700 0.105 0.000 2.482 2230 N HA 0.082 4.822 4.740 0.000 0.000 0.279 2230 N C -0.545 175.108 175.510 0.239 0.000 1.182 2230 N CA -0.341 52.823 53.050 0.189 0.000 0.969 2230 N CB 0.588 39.172 38.487 0.161 0.000 1.201 2230 N HN -0.113 nan 8.380 nan 0.000 0.523 2231 W N 0.543 121.871 121.300 0.045 0.000 2.150 2231 W HA 0.202 4.862 4.660 0.000 0.000 0.341 2231 W C 0.685 177.267 176.519 0.104 0.000 1.276 2231 W CA 0.051 57.435 57.345 0.066 0.000 1.238 2231 W CB 0.293 29.787 29.460 0.056 0.000 1.128 2231 W HN 0.203 nan 8.180 nan 0.000 0.581 2232 S N 1.871 117.772 115.700 0.336 0.000 2.608 2232 S HA 0.604 5.074 4.470 0.000 0.000 0.291 2232 S C -0.624 174.162 174.600 0.311 0.000 1.146 2232 S CA -0.865 57.503 58.200 0.281 0.000 1.043 2232 S CB 1.576 64.924 63.200 0.247 0.000 1.037 2232 S HN 0.335 nan 8.310 nan 0.000 0.520 2233 K N 1.727 122.248 120.400 0.202 0.000 2.561 2233 K HA 0.394 4.714 4.320 0.000 0.000 0.254 2233 K C -2.197 174.464 176.600 0.101 0.000 0.942 2233 K CA -0.589 55.767 56.287 0.116 0.000 0.818 2233 K CB 1.246 33.847 32.500 0.168 0.000 1.306 2233 K HN 0.734 nan 8.250 nan 0.000 0.435 2234 Y N 1.654 121.972 120.300 0.030 0.000 2.492 2234 Y HA 0.489 5.039 4.550 0.000 0.000 0.346 2234 Y C -1.300 174.548 175.900 -0.086 0.000 0.997 2234 Y CA -1.383 56.690 58.100 -0.045 0.000 1.025 2234 Y CB 1.017 39.421 38.460 -0.093 0.000 1.263 2234 Y HN 0.388 nan 8.280 nan 0.000 0.454 2235 L N 4.504 125.789 121.223 0.104 0.000 2.331 2235 L HA 0.422 4.762 4.340 0.000 0.000 0.278 2235 L C -1.129 175.798 176.870 0.095 0.000 1.106 2235 L CA -0.733 54.084 54.840 -0.039 0.000 0.824 2235 L CB 1.286 43.224 42.059 -0.202 0.000 1.142 2235 L HN 0.819 nan 8.230 nan 0.000 0.443 2236 L N 5.479 126.712 121.223 0.017 0.000 2.362 2236 L HA 0.463 4.803 4.340 0.000 0.000 0.271 2236 L C -1.248 175.457 176.870 -0.275 0.000 1.002 2236 L CA -0.318 54.500 54.840 -0.037 0.000 0.818 2236 L CB 1.823 43.899 42.059 0.028 0.000 1.298 2236 L HN 0.431 nan 8.230 nan 0.000 0.420 2237 Y N 4.378 124.380 120.300 -0.498 0.000 2.446 2237 Y HA 0.745 5.295 4.550 0.000 0.000 0.345 2237 Y C -1.270 174.172 175.900 -0.762 0.000 0.984 2237 Y CA -0.845 56.757 58.100 -0.829 0.000 1.058 2237 Y CB 1.429 39.161 38.460 -1.213 0.000 1.220 2237 Y HN 0.648 nan 8.280 nan 0.000 0.455 2238 K N 3.134 122.659 120.400 -1.457 0.000 2.579 2238 K HA 0.322 4.642 4.320 0.000 0.000 0.257 2238 K C -2.070 173.952 176.600 -0.963 0.000 0.950 2238 K CA -0.926 54.697 56.287 -1.107 0.000 0.862 2238 K CB 1.298 33.236 32.500 -0.936 0.000 1.317 2238 K HN 0.562 nan 8.250 nan 0.000 0.436 2239 D N 3.669 123.646 120.400 -0.706 0.000 2.400 2239 D HA 0.223 4.863 4.640 0.000 0.000 0.238 2239 D C 0.216 176.354 176.300 -0.270 0.000 1.157 2239 D CA 0.109 53.897 54.000 -0.355 0.000 0.889 2239 D CB 0.471 41.173 40.800 -0.163 0.000 1.199 2239 D HN 0.390 nan 8.370 nan 0.000 0.436 2240 M N 0.427 119.955 119.600 -0.120 0.000 2.721 2240 M HA 0.259 4.739 4.480 0.000 0.000 0.271 2240 M C -0.456 175.847 176.300 0.005 0.000 1.259 2240 M CA -0.770 54.487 55.300 -0.073 0.000 0.835 2240 M CB 1.912 34.432 32.600 -0.133 0.000 1.689 2240 M HN 0.468 nan 8.290 nan 0.000 0.470 2241 N N 0.122 118.838 118.700 0.027 0.000 2.713 2241 N HA -0.173 4.567 4.740 0.000 0.000 0.251 2241 N C -0.734 174.803 175.510 0.045 0.000 1.117 2241 N CA 0.893 53.964 53.050 0.034 0.000 0.770 2241 N CB -0.881 37.619 38.487 0.022 0.000 1.137 2241 N HN 0.508 nan 8.380 nan 0.000 0.566 2242 R N 0.438 120.980 120.500 0.069 0.000 2.686 2242 R HA 0.304 4.644 4.340 0.000 0.000 0.286 2242 R C -0.233 176.125 176.300 0.096 0.000 0.969 2242 R CA -0.750 55.395 56.100 0.074 0.000 0.898 2242 R CB 0.848 31.184 30.300 0.061 0.000 1.183 2242 R HN 0.263 nan 8.270 nan 0.000 0.456 2243 H N 3.112 122.187 119.070 0.009 0.000 2.886 2243 H HA 0.112 4.668 4.556 0.000 0.000 0.329 2243 H C -1.230 174.100 175.328 0.003 0.000 1.044 2243 H CA -0.754 55.285 56.048 -0.016 0.000 1.456 2243 H CB 1.025 30.776 29.762 -0.019 0.000 1.464 2243 H HN 0.278 nan 8.280 nan 0.000 0.573 2244 P HA -0.111 nan 4.420 nan 0.000 0.221 2244 P C -0.158 177.192 177.300 0.083 0.000 1.145 2244 P CA 0.972 64.039 63.100 -0.056 0.000 0.795 2244 P CB 0.285 31.851 31.700 -0.223 0.000 0.775 2245 L N 0.000 121.373 121.223 0.250 0.000 2.949 2245 L HA 0.000 4.340 4.340 0.000 0.000 0.249 2245 L CA 0.000 54.978 54.840 0.230 0.000 0.813 2245 L CB 0.000 42.227 42.059 0.280 0.000 0.961 2245 L HN 0.000 nan 8.230 nan 0.000 0.502