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 2hoz_1_B DATA FIRST_RESID 2007 DATA SEQUENCE FKTIKSDEIF AAAQKLMPGG VSSPVRAFKS VGGQPIVFDR VKDAYAWDVD DATA SEQUENCE GNRYIDYVGT WGPAICGHAH PEVIEALKVA MEKGTSFGAP CALENVLAEM DATA SEQUENCE VNDAVPSIEM VRFVNSGTEA CMAVLRIMRA YTGRDKIIKF EGCYHGHADM DATA SEQUENCE FLVKAXXXXX XXGLPSSPGV PKKTTANTLT TPYNDLEAVK ALFAENPGEI DATA SEQUENCE AGVILEPIVG NSGFIVPDAG FLEGLREITL EHDALLVFDE VMTGFRIAYG DATA SEQUENCE GVQEKFGVTP DLTTLGKIIG GGLPVGAYGG KREIMQLVAP AGPMYQAGTL DATA SEQUENCE SGNPLAMTAG IKTLELLRQP GTYEYLDQIT KRLSDGLLAI AQETGHAACG DATA SEQUENCE GQVSGMFGFF FTEGPVHNYE DAKKSDLQKF SRFHRGMLEQ GIYLAPSQFE DATA SEQUENCE AGFTSLAHTE EDIDATLAAA RTVMSAL 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 2007 F HA 0.000 nan 4.527 nan 0.000 0.279 2007 F C 0.000 175.811 175.800 0.018 0.000 0.967 2007 F CA 0.000 58.001 58.000 0.001 0.000 1.383 2007 F CB 0.000 39.008 39.000 0.012 0.000 1.145 2008 K N 2.104 122.264 120.400 -0.399 0.000 2.182 2008 K HA 0.808 5.225 4.320 0.161 0.000 0.262 2008 K C -0.359 175.909 176.600 -0.553 0.000 0.957 2008 K CA -0.263 55.799 56.287 -0.375 0.000 0.842 2008 K CB 1.898 34.297 32.500 -0.169 0.000 1.099 2008 K HN 0.511 nan 8.250 nan 0.000 0.438 2009 T N -0.148 114.166 114.554 -0.400 0.000 3.571 2009 T HA 0.243 4.690 4.350 0.161 0.000 0.292 2009 T C 1.035 175.660 174.700 -0.125 0.000 0.994 2009 T CA -0.524 61.406 62.100 -0.283 0.000 0.996 2009 T CB -0.637 68.060 68.868 -0.286 0.000 1.185 2009 T HN 0.629 nan 8.240 nan 0.000 0.482 2010 I N 1.349 121.859 120.570 -0.101 0.000 2.127 2010 I HA -0.189 4.077 4.170 0.161 0.000 0.241 2010 I C 2.649 178.756 176.117 -0.018 0.000 1.075 2010 I CA 1.457 62.729 61.300 -0.047 0.000 1.334 2010 I CB -0.194 37.782 38.000 -0.040 0.000 1.040 2010 I HN 0.292 nan 8.210 nan 0.000 0.405 2011 K N 0.340 120.731 120.400 -0.015 0.000 2.057 2011 K HA -0.117 4.300 4.320 0.161 0.000 0.207 2011 K C 2.334 178.950 176.600 0.026 0.000 1.049 2011 K CA 1.545 57.837 56.287 0.008 0.000 0.931 2011 K CB -0.221 32.286 32.500 0.012 0.000 0.714 2011 K HN 0.197 nan 8.250 nan 0.000 0.440 2012 S N 1.574 117.284 115.700 0.017 0.000 2.359 2012 S HA -0.154 4.412 4.470 0.161 0.000 0.224 2012 S C 1.454 176.093 174.600 0.064 0.000 1.035 2012 S CA 1.626 59.842 58.200 0.027 0.000 1.018 2012 S CB -0.310 62.882 63.200 -0.015 0.000 0.876 2012 S HN 0.281 nan 8.310 nan 0.000 0.448 2013 D N 1.167 121.597 120.400 0.049 0.000 2.104 2013 D HA -0.108 4.629 4.640 0.161 0.000 0.194 2013 D C 1.973 178.343 176.300 0.117 0.000 0.994 2013 D CA 1.032 55.096 54.000 0.106 0.000 0.830 2013 D CB -0.415 40.420 40.800 0.060 0.000 0.959 2013 D HN 0.519 nan 8.370 nan 0.000 0.452 2014 E N 0.299 120.538 120.200 0.065 0.000 2.051 2014 E HA -0.119 4.328 4.350 0.161 0.000 0.192 2014 E C 2.407 179.039 176.600 0.053 0.000 0.991 2014 E CA 0.561 56.988 56.400 0.045 0.000 0.799 2014 E CB -0.062 29.653 29.700 0.026 0.000 0.748 2014 E HN 0.288 nan 8.360 nan 0.000 0.449 2015 I N 0.309 120.923 120.570 0.072 0.000 2.252 2015 I HA -0.232 4.034 4.170 0.161 0.000 0.245 2015 I C 2.268 178.455 176.117 0.116 0.000 1.102 2015 I CA 0.684 62.030 61.300 0.077 0.000 1.385 2015 I CB -0.166 37.882 38.000 0.079 0.000 1.064 2015 I HN 0.091 nan 8.210 nan 0.000 0.414 2016 F N 1.952 121.891 119.950 -0.018 0.000 2.102 2016 F HA -0.193 4.436 4.527 0.170 0.000 0.298 2016 F C 2.478 178.271 175.800 -0.013 0.000 1.105 2016 F CA 1.245 59.232 58.000 -0.023 0.000 1.239 2016 F CB -0.587 38.388 39.000 -0.042 0.000 0.991 2016 F HN 0.002 nan 8.300 nan 0.000 0.474 2017 A N 0.533 123.305 122.820 -0.080 0.000 1.883 2017 A HA -0.130 4.287 4.320 0.161 0.000 0.217 2017 A C 2.449 179.929 177.584 -0.174 0.000 1.186 2017 A CA 2.241 54.171 52.037 -0.179 0.000 0.624 2017 A CB -1.651 17.320 19.000 -0.047 0.000 0.822 2017 A HN 0.505 nan 8.150 nan 0.000 0.444 2018 A N -0.463 122.305 122.820 -0.088 0.000 1.972 2018 A HA 0.201 4.617 4.320 0.161 0.000 0.219 2018 A C 2.442 179.973 177.584 -0.087 0.000 1.169 2018 A CA 1.931 53.927 52.037 -0.068 0.000 0.635 2018 A CB -0.866 18.118 19.000 -0.026 0.000 0.810 2018 A HN 1.075 nan 8.150 nan 0.000 0.446 2019 A N -0.457 122.300 122.820 -0.106 0.000 1.930 2019 A HA -0.192 4.225 4.320 0.161 0.000 0.217 2019 A C 2.013 179.501 177.584 -0.159 0.000 1.175 2019 A CA 1.475 53.456 52.037 -0.093 0.000 0.627 2019 A CB -0.543 18.444 19.000 -0.022 0.000 0.815 2019 A HN 0.647 nan 8.150 nan 0.000 0.443 2020 Q N -0.398 119.220 119.800 -0.304 0.000 2.439 2020 Q HA -0.125 4.312 4.340 0.161 0.000 0.211 2020 Q C 1.396 177.307 176.000 -0.150 0.000 0.978 2020 Q CA 1.313 56.947 55.803 -0.282 0.000 0.897 2020 Q CB -0.128 28.367 28.738 -0.406 0.000 0.956 2020 Q HN 0.655 nan 8.270 nan 0.000 0.483 2021 K N -0.336 119.993 120.400 -0.117 0.000 2.361 2021 K HA 0.105 4.522 4.320 0.161 0.000 0.194 2021 K C 1.457 178.027 176.600 -0.051 0.000 1.032 2021 K CA 0.277 56.520 56.287 -0.073 0.000 1.048 2021 K CB 0.562 33.025 32.500 -0.061 0.000 0.842 2021 K HN 0.141 nan 8.250 nan 0.000 0.526 2022 L N -0.323 120.870 121.223 -0.050 0.000 2.500 2022 L HA 0.273 4.709 4.340 0.161 0.000 0.219 2022 L C 0.666 177.523 176.870 -0.022 0.000 1.057 2022 L CA 0.169 54.992 54.840 -0.029 0.000 0.854 2022 L CB 0.252 42.298 42.059 -0.021 0.000 1.078 2022 L HN 0.044 nan 8.230 nan 0.000 0.480 2023 M N -0.481 119.102 119.600 -0.029 0.000 2.501 2023 M HA 0.420 4.996 4.480 0.161 0.000 0.293 2023 M C -2.630 173.657 176.300 -0.022 0.000 1.192 2023 M CA -1.853 53.438 55.300 -0.015 0.000 0.886 2023 M CB 2.212 34.813 32.600 0.003 0.000 1.710 2023 M HN -0.384 nan 8.290 nan 0.000 0.457 2024 P HA 0.071 nan 4.420 nan 0.000 0.258 2024 P C 0.804 178.106 177.300 0.002 0.000 1.187 2024 P CA 1.158 64.252 63.100 -0.010 0.000 0.767 2024 P CB 0.208 31.904 31.700 -0.007 0.000 0.770 2025 G N 3.543 112.338 108.800 -0.009 0.000 2.189 2025 G HA2 -0.212 3.845 3.960 0.161 0.000 0.267 2025 G HA3 -0.212 3.845 3.960 0.161 0.000 0.267 2025 G C 0.903 175.811 174.900 0.015 0.000 0.975 2025 G CA 0.480 45.593 45.100 0.022 0.000 0.644 2025 G HN 1.021 nan 8.290 nan 0.000 0.537 2026 G N -2.360 106.410 108.800 -0.050 0.000 2.179 2026 G HA2 0.141 4.197 3.960 0.161 0.000 0.257 2026 G HA3 0.141 4.197 3.960 0.161 0.000 0.257 2026 G C 0.826 175.806 174.900 0.134 0.000 1.010 2026 G CA 1.612 46.672 45.100 -0.066 0.000 0.736 2026 G HN 2.439 nan 8.290 nan 0.000 0.513 2027 V N -4.985 115.002 119.914 0.122 0.000 3.159 2027 V HA 0.895 5.111 4.120 0.161 0.000 0.308 2027 V C 0.767 176.902 176.094 0.067 0.000 1.190 2027 V CA 0.292 62.668 62.300 0.127 0.000 1.037 2027 V CB 1.454 33.375 31.823 0.164 0.000 1.060 2027 V HN 0.257 nan 8.190 nan 0.000 0.437 2028 S N 0.480 116.215 115.700 0.057 0.000 2.524 2028 S HA 0.301 4.867 4.470 0.161 0.000 0.216 2028 S C 0.656 175.266 174.600 0.016 0.000 0.987 2028 S CA 0.848 59.069 58.200 0.034 0.000 0.909 2028 S CB 0.054 63.277 63.200 0.039 0.000 0.781 2028 S HN 0.979 nan 8.310 nan 0.000 0.521 2029 S N 0.110 115.820 115.700 0.018 0.000 2.566 2029 S HA 0.410 4.977 4.470 0.161 0.000 0.273 2029 S C -2.370 172.221 174.600 -0.014 0.000 1.157 2029 S CA -1.390 56.796 58.200 -0.022 0.000 0.938 2029 S CB 1.379 64.544 63.200 -0.058 0.000 1.087 2029 S HN -0.182 nan 8.310 nan 0.000 0.474 2030 P HA -0.191 nan 4.420 nan 0.000 0.218 2030 P C 1.537 178.838 177.300 0.001 0.000 1.165 2030 P CA 1.170 64.259 63.100 -0.018 0.000 0.922 2030 P CB 0.058 31.722 31.700 -0.060 0.000 0.794 2031 V N -0.148 119.725 119.914 -0.068 0.000 2.453 2031 V HA -0.303 3.914 4.120 0.161 0.000 0.252 2031 V C 2.232 178.396 176.094 0.117 0.000 1.068 2031 V CA 1.900 64.177 62.300 -0.039 0.000 1.070 2031 V CB -0.811 30.890 31.823 -0.203 0.000 0.664 2031 V HN 0.081 nan 8.190 nan 0.000 0.461 2032 R N 0.177 120.767 120.500 0.150 0.000 2.241 2032 R HA -0.060 4.377 4.340 0.161 0.000 0.224 2032 R C 2.130 178.600 176.300 0.284 0.000 1.101 2032 R CA 1.165 57.425 56.100 0.267 0.000 0.995 2032 R CB -0.517 29.883 30.300 0.168 0.000 0.870 2032 R HN 0.590 nan 8.270 nan 0.000 0.463 2033 A N 0.350 123.311 122.820 0.234 0.000 2.209 2033 A HA -0.039 4.378 4.320 0.161 0.000 0.212 2033 A C 0.253 178.007 177.584 0.284 0.000 1.158 2033 A CA 0.194 52.369 52.037 0.229 0.000 0.742 2033 A CB -0.365 18.792 19.000 0.263 0.000 0.790 2033 A HN 0.380 nan 8.150 nan 0.000 0.472 2034 F N -1.943 117.993 119.950 -0.023 0.000 3.069 2034 F HA -0.271 4.378 4.527 0.204 0.000 0.285 2034 F C 1.450 177.255 175.800 0.008 0.000 0.827 2034 F CA 0.777 58.755 58.000 -0.036 0.000 1.108 2034 F CB -1.682 37.271 39.000 -0.078 0.000 1.252 2034 F HN 0.210 nan 8.300 nan 0.000 0.483 2035 K N -0.050 120.457 120.400 0.179 0.000 2.160 2035 K HA -0.145 4.271 4.320 0.161 0.000 0.206 2035 K C 1.964 178.626 176.600 0.102 0.000 1.047 2035 K CA 1.647 58.016 56.287 0.136 0.000 0.930 2035 K CB -0.575 31.992 32.500 0.111 0.000 0.720 2035 K HN 0.566 nan 8.250 nan 0.000 0.450 2036 S N -0.422 115.320 115.700 0.070 0.000 2.593 2036 S HA 0.042 4.608 4.470 0.161 0.000 0.217 2036 S C 1.167 175.808 174.600 0.068 0.000 0.966 2036 S CA -0.059 58.188 58.200 0.078 0.000 0.914 2036 S CB 0.479 63.735 63.200 0.093 0.000 0.776 2036 S HN 0.013 nan 8.310 nan 0.000 0.523 2037 V N 0.522 120.447 119.914 0.018 0.000 2.792 2037 V HA 0.618 4.835 4.120 0.161 0.000 0.360 2037 V C 0.892 177.051 176.094 0.108 0.000 1.306 2037 V CA 0.454 62.754 62.300 -0.000 0.000 1.245 2037 V CB -0.154 31.497 31.823 -0.286 0.000 1.382 2037 V HN 0.657 nan 8.190 nan 0.000 0.636 2038 G N 0.502 109.382 108.800 0.133 0.000 2.284 2038 G HA2 -0.021 4.036 3.960 0.161 0.000 0.216 2038 G HA3 -0.021 4.036 3.960 0.161 0.000 0.216 2038 G C 1.441 176.445 174.900 0.174 0.000 1.009 2038 G CA 0.364 45.557 45.100 0.156 0.000 0.625 2038 G HN 1.982 nan 8.290 nan 0.000 0.501 2039 G N -0.897 108.035 108.800 0.220 0.000 2.136 2039 G HA2 -0.120 3.936 3.960 0.161 0.000 0.242 2039 G HA3 -0.120 3.936 3.960 0.161 0.000 0.242 2039 G C 0.121 175.078 174.900 0.095 0.000 0.989 2039 G CA 1.052 46.272 45.100 0.200 0.000 0.682 2039 G HN 1.293 nan 8.290 nan 0.000 0.522 2040 Q N 0.483 120.298 119.800 0.026 0.000 2.788 2040 Q HA 0.292 4.728 4.340 0.161 0.000 0.261 2040 Q C -2.353 173.303 176.000 -0.572 0.000 1.029 2040 Q CA -1.494 54.201 55.803 -0.180 0.000 0.848 2040 Q CB 2.154 30.896 28.738 0.007 0.000 1.185 2040 Q HN 0.484 nan 8.270 nan 0.000 0.482 2041 P HA 0.152 nan 4.420 nan 0.000 0.272 2041 P C 0.012 176.783 177.300 -0.882 0.000 1.230 2041 P CA -0.301 61.676 63.100 -1.871 0.000 0.788 2041 P CB 1.022 31.849 31.700 -1.454 0.000 0.949 2042 I N -0.421 119.807 120.570 -0.571 0.000 2.336 2042 I HA 0.307 4.573 4.170 0.161 0.000 0.292 2042 I C -0.159 175.935 176.117 -0.037 0.000 0.991 2042 I CA -1.168 60.069 61.300 -0.105 0.000 1.227 2042 I CB 1.018 39.114 38.000 0.160 0.000 1.366 2042 I HN -0.049 nan 8.210 nan 0.000 0.466 2043 V N 6.982 126.914 119.914 0.029 0.000 2.455 2043 V HA 0.270 4.487 4.120 0.161 0.000 0.273 2043 V C 0.335 176.597 176.094 0.280 0.000 1.045 2043 V CA -0.176 62.171 62.300 0.078 0.000 0.976 2043 V CB 0.276 32.140 31.823 0.068 0.000 0.993 2043 V HN 0.490 nan 8.190 nan 0.000 0.475 2044 F N 2.810 122.740 119.950 -0.035 0.000 2.389 2044 F HA 0.161 4.782 4.527 0.156 0.000 0.337 2044 F C 1.218 177.025 175.800 0.013 0.000 1.112 2044 F CA -0.316 57.667 58.000 -0.027 0.000 1.192 2044 F CB 1.435 40.386 39.000 -0.082 0.000 1.185 2044 F HN 0.587 nan 8.300 nan 0.000 0.552 2045 D N 0.892 121.411 120.400 0.197 0.000 2.463 2045 D HA 0.078 4.815 4.640 0.161 0.000 0.237 2045 D C -0.009 176.349 176.300 0.097 0.000 1.013 2045 D CA 0.314 54.386 54.000 0.120 0.000 0.910 2045 D CB 0.552 41.402 40.800 0.084 0.000 1.080 2045 D HN 0.592 nan 8.370 nan 0.000 0.498 2046 R N -0.903 119.653 120.500 0.093 0.000 2.712 2046 R HA 0.544 4.980 4.340 0.161 0.000 0.272 2046 R C -1.775 174.546 176.300 0.034 0.000 1.032 2046 R CA -0.995 55.145 56.100 0.066 0.000 0.874 2046 R CB 1.226 31.549 30.300 0.038 0.000 1.256 2046 R HN -0.068 nan 8.270 nan 0.000 0.468 2047 V N -1.196 118.717 119.914 -0.002 0.000 2.760 2047 V HA 0.844 5.060 4.120 0.161 0.000 0.309 2047 V C -1.129 175.011 176.094 0.077 0.000 1.077 2047 V CA -0.825 61.398 62.300 -0.128 0.000 0.910 2047 V CB 1.800 33.236 31.823 -0.644 0.000 1.008 2047 V HN 0.919 nan 8.190 nan 0.000 0.424 2048 K N 2.883 123.409 120.400 0.210 0.000 2.535 2048 K HA 0.562 4.979 4.320 0.161 0.000 0.251 2048 K C -0.145 176.561 176.600 0.176 0.000 0.942 2048 K CA 0.162 56.600 56.287 0.252 0.000 0.798 2048 K CB 1.644 34.347 32.500 0.339 0.000 1.267 2048 K HN 0.968 nan 8.250 nan 0.000 0.434 2049 D N 1.721 122.168 120.400 0.078 0.000 3.771 2049 D HA -0.307 4.430 4.640 0.161 0.000 0.145 2049 D C 0.255 176.404 176.300 -0.252 0.000 0.892 2049 D CA 2.374 56.311 54.000 -0.105 0.000 1.080 2049 D CB -1.044 39.650 40.800 -0.176 0.000 0.498 2049 D HN 0.602 nan 8.370 nan 0.000 0.499 2050 A N 0.321 122.711 122.820 -0.716 0.000 2.379 2050 A HA 0.341 4.758 4.320 0.161 0.000 0.236 2050 A C -0.096 176.974 177.584 -0.856 0.000 1.272 2050 A CA 0.130 51.571 52.037 -0.994 0.000 0.886 2050 A CB -0.234 17.802 19.000 -1.606 0.000 0.962 2050 A HN 0.352 nan 8.150 nan 0.000 0.504 2051 Y N -1.585 118.609 120.300 -0.175 0.000 2.549 2051 Y HA 0.671 5.316 4.550 0.158 0.000 0.339 2051 Y C 0.368 176.056 175.900 -0.353 0.000 1.053 2051 Y CA -1.061 56.831 58.100 -0.347 0.000 1.105 2051 Y CB 1.779 39.851 38.460 -0.647 0.000 1.258 2051 Y HN 0.096 nan 8.280 nan 0.000 0.478 2052 A N 1.451 124.053 122.820 -0.364 0.000 2.371 2052 A HA 0.607 5.024 4.320 0.161 0.000 0.311 2052 A C -1.940 175.312 177.584 -0.554 0.000 1.068 2052 A CA -0.567 51.079 52.037 -0.652 0.000 0.744 2052 A CB 1.078 19.345 19.000 -1.222 0.000 1.239 2052 A HN 0.751 nan 8.150 nan 0.000 0.435 2053 W N 2.091 123.148 121.300 -0.404 0.000 2.471 2053 W HA 0.269 5.029 4.660 0.166 0.000 0.318 2053 W C -0.797 175.625 176.519 -0.163 0.000 1.034 2053 W CA -0.494 56.725 57.345 -0.210 0.000 1.224 2053 W CB 1.780 31.152 29.460 -0.146 0.000 1.335 2053 W HN 0.763 nan 8.180 nan 0.000 0.452 2054 D N 0.803 121.304 120.400 0.169 0.000 2.352 2054 D HA -0.078 4.659 4.640 0.161 0.000 0.238 2054 D C 0.931 177.327 176.300 0.160 0.000 1.286 2054 D CA 0.262 54.385 54.000 0.205 0.000 0.923 2054 D CB 1.580 42.526 40.800 0.244 0.000 1.146 2054 D HN 0.170 nan 8.370 nan 0.000 0.471 2055 V N 0.747 120.741 119.914 0.133 0.000 3.623 2055 V HA -0.029 4.188 4.120 0.161 0.000 0.271 2055 V C 0.656 176.783 176.094 0.055 0.000 1.248 2055 V CA 1.025 63.377 62.300 0.086 0.000 1.156 2055 V CB -0.079 31.791 31.823 0.078 0.000 0.870 2055 V HN 0.374 nan 8.190 nan 0.000 0.453 2056 D N 0.093 120.528 120.400 0.057 0.000 2.398 2056 D HA 0.248 4.985 4.640 0.161 0.000 0.210 2056 D C 1.570 177.884 176.300 0.023 0.000 1.094 2056 D CA 0.932 54.942 54.000 0.016 0.000 0.839 2056 D CB 1.040 41.820 40.800 -0.032 0.000 0.963 2056 D HN 0.560 nan 8.370 nan 0.000 0.506 2057 G N 1.600 110.440 108.800 0.068 0.000 2.157 2057 G HA2 -0.249 3.807 3.960 0.161 0.000 0.239 2057 G HA3 -0.249 3.807 3.960 0.161 0.000 0.239 2057 G C 0.043 175.007 174.900 0.107 0.000 0.982 2057 G CA -0.370 44.783 45.100 0.089 0.000 0.650 2057 G HN 0.298 nan 8.290 nan 0.000 0.527 2058 N N 0.275 119.003 118.700 0.047 0.000 2.518 2058 N HA 0.565 5.402 4.740 0.161 0.000 0.283 2058 N C 0.215 175.522 175.510 -0.340 0.000 1.119 2058 N CA -0.493 52.474 53.050 -0.138 0.000 0.983 2058 N CB 0.831 39.224 38.487 -0.158 0.000 1.139 2058 N HN 0.250 nan 8.380 nan 0.000 0.465 2059 R N 2.162 122.290 120.500 -0.619 0.000 2.664 2059 R HA 0.403 4.839 4.340 0.161 0.000 0.286 2059 R C -1.627 174.113 176.300 -0.933 0.000 0.967 2059 R CA -0.382 55.109 56.100 -1.014 0.000 0.933 2059 R CB 0.679 30.326 30.300 -1.088 0.000 1.146 2059 R HN 0.607 nan 8.270 nan 0.000 0.468 2060 Y N 2.542 122.505 120.300 -0.562 0.000 2.492 2060 Y HA 0.431 5.080 4.550 0.164 0.000 0.346 2060 Y C 0.273 176.065 175.900 -0.179 0.000 0.997 2060 Y CA -0.858 57.074 58.100 -0.281 0.000 1.025 2060 Y CB 1.933 40.308 38.460 -0.142 0.000 1.263 2060 Y HN 0.347 nan 8.280 nan 0.000 0.454 2061 I N 3.068 123.705 120.570 0.111 0.000 2.379 2061 I HA 0.056 4.322 4.170 0.161 0.000 0.290 2061 I C -0.223 175.890 176.117 -0.006 0.000 1.063 2061 I CA 0.046 61.395 61.300 0.081 0.000 1.351 2061 I CB 0.326 38.404 38.000 0.129 0.000 1.410 2061 I HN 0.566 nan 8.210 nan 0.000 0.505 2062 D N 6.480 126.812 120.400 -0.113 0.000 2.295 2062 D HA 0.089 4.826 4.640 0.161 0.000 0.248 2062 D C -0.384 175.849 176.300 -0.112 0.000 1.154 2062 D CA 0.075 54.090 54.000 0.025 0.000 0.857 2062 D CB 0.672 41.545 40.800 0.122 0.000 1.117 2062 D HN 0.308 nan 8.370 nan 0.000 0.468 2063 Y N 2.434 122.930 120.300 0.326 0.000 2.696 2063 Y HA 0.178 4.823 4.550 0.158 0.000 0.260 2063 Y C 1.349 177.352 175.900 0.172 0.000 1.165 2063 Y CA -0.257 57.997 58.100 0.258 0.000 1.189 2063 Y CB 0.789 39.408 38.460 0.265 0.000 1.180 2063 Y HN 0.274 nan 8.280 nan 0.000 0.538 2064 V N -1.489 118.553 119.914 0.214 0.000 3.307 2064 V HA 0.213 4.429 4.120 0.161 0.000 0.244 2064 V C 1.615 177.685 176.094 -0.040 0.000 1.196 2064 V CA 0.756 63.029 62.300 -0.044 0.000 1.132 2064 V CB -0.109 31.532 31.823 -0.304 0.000 0.875 2064 V HN 0.461 nan 8.190 nan 0.000 0.468 2065 G N 1.530 110.378 108.800 0.081 0.000 2.393 2065 G HA2 -0.370 3.687 3.960 0.161 0.000 0.299 2065 G HA3 -0.370 3.687 3.960 0.161 0.000 0.299 2065 G C 0.604 175.497 174.900 -0.011 0.000 0.990 2065 G CA 1.383 46.471 45.100 -0.020 0.000 1.118 2065 G HN 0.869 nan 8.290 nan 0.000 0.513 2066 T N -1.841 112.763 114.554 0.083 0.000 3.935 2066 T HA -0.315 4.132 4.350 0.161 0.000 0.346 2066 T C 1.120 175.885 174.700 0.109 0.000 0.758 2066 T CA 2.274 64.422 62.100 0.081 0.000 1.874 2066 T CB -1.753 67.255 68.868 0.233 0.000 1.875 2066 T HN 2.101 nan 8.240 nan 0.000 0.802 2067 W N -2.981 118.335 121.300 0.026 0.000 3.653 2067 W HA -0.122 4.624 4.660 0.142 0.000 0.339 2067 W C 1.289 177.502 176.519 -0.510 0.000 1.296 2067 W CA 0.659 57.922 57.345 -0.137 0.000 0.693 2067 W CB -1.975 27.491 29.460 0.011 0.000 2.388 2067 W HN 1.242 nan 8.180 nan 0.000 1.300 2068 G N -4.003 104.468 108.800 -0.549 0.000 2.697 2068 G HA2 -0.251 3.806 3.960 0.161 0.000 0.200 2068 G HA3 -0.251 3.806 3.960 0.161 0.000 0.200 2068 G C -0.563 174.215 174.900 -0.203 0.000 1.106 2068 G CA 0.010 44.775 45.100 -0.558 0.000 0.748 2068 G HN 0.168 nan 8.290 nan 0.000 0.503 2069 P HA 0.077 nan 4.420 nan 0.000 0.216 2069 P C 1.602 178.874 177.300 -0.047 0.000 1.153 2069 P CA 2.361 65.444 63.100 -0.028 0.000 0.858 2069 P CB -0.144 31.571 31.700 0.025 0.000 0.789 2070 A N -1.000 121.769 122.820 -0.084 0.000 2.478 2070 A HA 0.014 4.431 4.320 0.161 0.000 0.239 2070 A C 1.642 179.145 177.584 -0.134 0.000 1.480 2070 A CA -0.015 51.928 52.037 -0.156 0.000 1.308 2070 A CB -2.007 16.725 19.000 -0.447 0.000 0.899 2070 A HN 0.200 nan 8.150 nan 0.000 0.600 2071 I N -1.407 119.125 120.570 -0.063 0.000 2.454 2071 I HA -0.235 4.032 4.170 0.161 0.000 0.254 2071 I C 1.329 177.439 176.117 -0.011 0.000 1.156 2071 I CA 1.440 62.728 61.300 -0.019 0.000 1.433 2071 I CB 0.130 38.143 38.000 0.022 0.000 1.082 2071 I HN 0.475 nan 8.210 nan 0.000 0.432 2072 C N 1.954 121.242 119.300 -0.021 0.000 2.754 2072 C HA 0.549 5.105 4.460 0.161 0.000 0.276 2072 C C 0.944 175.981 174.990 0.078 0.000 1.264 2072 C CA 0.190 59.216 59.018 0.012 0.000 1.700 2072 C CB -1.734 25.964 27.740 -0.070 0.000 1.885 2072 C HN 0.764 nan 8.230 nan 0.000 0.607 2073 G N -0.034 108.761 108.800 -0.008 0.000 2.587 2073 G HA2 -0.053 4.003 3.960 0.161 0.000 0.686 2073 G HA3 -0.053 4.003 3.960 0.161 0.000 0.686 2073 G C -1.024 173.847 174.900 -0.049 0.000 1.236 2073 G CA -0.950 44.117 45.100 -0.055 0.000 0.820 2073 G HN 0.554 nan 8.290 nan 0.000 0.645 2074 H N 0.333 119.410 119.070 0.011 0.000 2.764 2074 H HA 0.465 5.117 4.556 0.159 0.000 0.341 2074 H C 1.291 176.648 175.328 0.049 0.000 1.072 2074 H CA 1.184 57.252 56.048 0.033 0.000 1.444 2074 H CB 1.245 31.021 29.762 0.022 0.000 1.458 2074 H HN 2.099 nan 8.280 nan 0.000 0.572 2075 A N 2.290 125.230 122.820 0.200 0.000 2.640 2075 A HA -0.260 4.157 4.320 0.161 0.000 0.300 2075 A C 0.370 178.021 177.584 0.111 0.000 1.499 2075 A CA 0.644 52.760 52.037 0.131 0.000 0.759 2075 A CB -2.296 16.767 19.000 0.104 0.000 1.048 2075 A HN 0.844 nan 8.150 nan 0.000 0.450 2076 H N 1.097 120.186 119.070 0.031 0.000 3.070 2076 H HA 0.110 4.762 4.556 0.160 0.000 0.313 2076 H C -0.713 174.620 175.328 0.008 0.000 0.997 2076 H CA -0.325 55.729 56.048 0.009 0.000 1.438 2076 H CB 0.902 30.661 29.762 -0.005 0.000 1.455 2076 H HN 0.322 nan 8.280 nan 0.000 0.575 2077 P HA -0.202 nan 4.420 nan 0.000 0.216 2077 P C 0.871 178.257 177.300 0.142 0.000 1.154 2077 P CA 1.529 64.634 63.100 0.008 0.000 0.865 2077 P CB 0.340 31.983 31.700 -0.095 0.000 0.789 2078 E N -0.473 119.938 120.200 0.352 0.000 2.106 2078 E HA -0.074 4.373 4.350 0.161 0.000 0.192 2078 E C 2.175 178.844 176.600 0.115 0.000 0.984 2078 E CA 0.778 57.304 56.400 0.210 0.000 0.806 2078 E CB -0.397 29.418 29.700 0.191 0.000 0.750 2078 E HN 0.083 nan 8.360 nan 0.000 0.458 2079 V N 2.366 122.360 119.914 0.134 0.000 2.307 2079 V HA -0.226 3.991 4.120 0.161 0.000 0.245 2079 V C 2.430 178.552 176.094 0.047 0.000 1.045 2079 V CA 1.721 64.046 62.300 0.042 0.000 1.024 2079 V CB -0.583 31.256 31.823 0.026 0.000 0.651 2079 V HN 0.369 nan 8.190 nan 0.000 0.449 2080 I N -0.825 119.788 120.570 0.071 0.000 2.394 2080 I HA -0.153 4.113 4.170 0.161 0.000 0.251 2080 I C 2.371 178.506 176.117 0.031 0.000 1.136 2080 I CA 2.017 63.344 61.300 0.045 0.000 1.425 2080 I CB -0.515 37.512 38.000 0.045 0.000 1.079 2080 I HN 0.300 nan 8.210 nan 0.000 0.425 2081 E N 2.182 122.405 120.200 0.038 0.000 2.072 2081 E HA -0.104 4.342 4.350 0.161 0.000 0.190 2081 E C 2.219 178.829 176.600 0.018 0.000 0.982 2081 E CA 1.838 58.253 56.400 0.026 0.000 0.803 2081 E CB -0.298 29.421 29.700 0.030 0.000 0.755 2081 E HN 0.531 nan 8.360 nan 0.000 0.453 2082 A N 0.592 123.423 122.820 0.018 0.000 1.940 2082 A HA -0.140 4.277 4.320 0.161 0.000 0.219 2082 A C 2.352 179.936 177.584 0.000 0.000 1.176 2082 A CA 1.436 53.477 52.037 0.007 0.000 0.631 2082 A CB -0.751 18.248 19.000 -0.002 0.000 0.814 2082 A HN 0.353 nan 8.150 nan 0.000 0.446 2083 L N -0.894 120.329 121.223 -0.000 0.000 2.027 2083 L HA -0.198 4.239 4.340 0.161 0.000 0.206 2083 L C 2.593 179.459 176.870 -0.007 0.000 1.074 2083 L CA 1.802 56.637 54.840 -0.008 0.000 0.745 2083 L CB -0.385 41.671 42.059 -0.005 0.000 0.898 2083 L HN 0.356 nan 8.230 nan 0.000 0.433 2084 K N -0.667 119.734 120.400 0.001 0.000 2.097 2084 K HA -0.139 4.277 4.320 0.161 0.000 0.206 2084 K C 1.937 178.538 176.600 0.002 0.000 1.049 2084 K CA 1.103 57.391 56.287 0.001 0.000 0.933 2084 K CB -0.187 32.315 32.500 0.004 0.000 0.717 2084 K HN 0.114 nan 8.250 nan 0.000 0.442 2085 V N 1.096 121.013 119.914 0.005 0.000 2.379 2085 V HA -0.191 4.025 4.120 0.161 0.000 0.245 2085 V C 2.296 178.397 176.094 0.012 0.000 1.044 2085 V CA 1.952 64.258 62.300 0.010 0.000 1.036 2085 V CB -0.523 31.307 31.823 0.012 0.000 0.664 2085 V HN 0.349 nan 8.190 nan 0.000 0.453 2086 A N 1.066 123.890 122.820 0.006 0.000 1.930 2086 A HA -0.229 4.188 4.320 0.161 0.000 0.217 2086 A C 2.269 179.849 177.584 -0.007 0.000 1.175 2086 A CA 2.147 54.188 52.037 0.006 0.000 0.627 2086 A CB -0.529 18.465 19.000 -0.010 0.000 0.815 2086 A HN 0.674 nan 8.150 nan 0.000 0.443 2087 M N -1.732 117.854 119.600 -0.022 0.000 2.358 2087 M HA -0.036 4.541 4.480 0.161 0.000 0.264 2087 M C 1.419 177.711 176.300 -0.013 0.000 1.064 2087 M CA 2.174 57.452 55.300 -0.036 0.000 1.093 2087 M CB -0.478 32.102 32.600 -0.034 0.000 1.401 2087 M HN 0.155 nan 8.290 nan 0.000 0.440 2088 E N 1.873 122.076 120.200 0.006 0.000 2.265 2088 E HA -0.094 4.352 4.350 0.161 0.000 0.196 2088 E C 1.211 177.835 176.600 0.039 0.000 0.996 2088 E CA 1.213 57.624 56.400 0.018 0.000 0.832 2088 E CB -0.090 29.621 29.700 0.019 0.000 0.756 2088 E HN 0.665 nan 8.360 nan 0.000 0.491 2089 K N -1.203 119.232 120.400 0.059 0.000 2.374 2089 K HA 0.349 4.765 4.320 0.161 0.000 0.196 2089 K C 0.098 176.800 176.600 0.171 0.000 1.023 2089 K CA 0.429 56.791 56.287 0.125 0.000 1.103 2089 K CB 1.150 33.752 32.500 0.171 0.000 0.848 2089 K HN 0.096 nan 8.250 nan 0.000 0.528 2090 G N 0.964 109.786 108.800 0.037 0.000 2.535 2090 G HA2 -0.168 3.889 3.960 0.161 0.000 0.662 2090 G HA3 -0.168 3.889 3.960 0.161 0.000 0.662 2090 G C 0.333 175.087 174.900 -0.244 0.000 1.417 2090 G CA -0.330 44.736 45.100 -0.057 0.000 0.866 2090 G HN 0.009 nan 8.290 nan 0.000 0.647 2091 T N -2.194 112.240 114.554 -0.200 0.000 3.043 2091 T HA 0.530 4.977 4.350 0.161 0.000 0.263 2091 T C 1.115 175.629 174.700 -0.310 0.000 1.094 2091 T CA 1.441 63.417 62.100 -0.206 0.000 1.127 2091 T CB 0.262 69.063 68.868 -0.112 0.000 0.905 2091 T HN 1.958 nan 8.240 nan 0.000 0.490 2092 S N -1.165 114.295 115.700 -0.400 0.000 2.543 2092 S HA 0.575 5.141 4.470 0.161 0.000 0.274 2092 S C -1.148 173.245 174.600 -0.345 0.000 1.149 2092 S CA -0.811 57.150 58.200 -0.398 0.000 0.866 2092 S CB 0.700 63.804 63.200 -0.159 0.000 1.111 2092 S HN 0.047 nan 8.310 nan 0.000 0.457 2093 F N 2.004 121.956 119.950 0.004 0.000 2.637 2093 F HA 0.429 5.053 4.527 0.162 0.000 0.284 2093 F C 2.148 177.955 175.800 0.012 0.000 1.105 2093 F CA 0.403 58.407 58.000 0.007 0.000 1.356 2093 F CB -0.418 38.585 39.000 0.005 0.000 1.096 2093 F HN 0.989 nan 8.300 nan 0.000 0.616 2094 G N 0.920 109.828 108.800 0.180 0.000 2.179 2094 G HA2 0.050 4.106 3.960 0.161 0.000 0.257 2094 G HA3 0.050 4.106 3.960 0.161 0.000 0.257 2094 G C 0.114 175.086 174.900 0.121 0.000 1.010 2094 G CA 0.328 45.499 45.100 0.117 0.000 0.736 2094 G HN 0.858 nan 8.290 nan 0.000 0.513 2095 A N -1.252 121.665 122.820 0.161 0.000 2.599 2095 A HA 0.881 5.298 4.320 0.161 0.000 0.290 2095 A C -2.861 174.793 177.584 0.116 0.000 1.101 2095 A CA -0.860 51.241 52.037 0.107 0.000 0.674 2095 A CB 0.765 19.803 19.000 0.064 0.000 1.277 2095 A HN 0.178 nan 8.150 nan 0.000 0.419 2096 P HA 0.404 nan 4.420 nan 0.000 0.266 2096 P C -0.412 176.905 177.300 0.028 0.000 1.195 2096 P CA 0.036 63.171 63.100 0.058 0.000 0.768 2096 P CB 0.130 31.848 31.700 0.030 0.000 0.838 2097 C N -0.126 119.216 119.300 0.069 0.000 2.994 2097 C HA 0.793 5.349 4.460 0.161 0.000 0.305 2097 C C 1.594 176.615 174.990 0.053 0.000 1.251 2097 C CA -0.252 58.790 59.018 0.040 0.000 1.478 2097 C CB 1.086 28.947 27.740 0.201 0.000 1.922 2097 C HN 0.636 nan 8.230 nan 0.000 0.472 2098 A N 1.094 123.930 122.820 0.027 0.000 2.032 2098 A HA -0.054 4.363 4.320 0.161 0.000 0.221 2098 A C 1.887 179.499 177.584 0.048 0.000 1.165 2098 A CA 1.782 53.839 52.037 0.033 0.000 0.645 2098 A CB -0.659 18.352 19.000 0.019 0.000 0.807 2098 A HN 0.961 nan 8.150 nan 0.000 0.453 2099 L N -0.969 120.287 121.223 0.056 0.000 2.191 2099 L HA -0.217 4.220 4.340 0.161 0.000 0.212 2099 L C 2.480 179.358 176.870 0.012 0.000 1.103 2099 L CA 1.479 56.338 54.840 0.032 0.000 0.769 2099 L CB -0.491 41.586 42.059 0.030 0.000 0.908 2099 L HN 0.502 nan 8.230 nan 0.000 0.438 2100 E N -0.095 120.133 120.200 0.047 0.000 2.072 2100 E HA -0.172 4.274 4.350 0.161 0.000 0.190 2100 E C 1.870 178.591 176.600 0.201 0.000 0.982 2100 E CA 1.058 57.518 56.400 0.100 0.000 0.803 2100 E CB 0.007 29.799 29.700 0.155 0.000 0.755 2100 E HN 0.449 nan 8.360 nan 0.000 0.453 2101 N N 0.196 118.972 118.700 0.127 0.000 2.069 2101 N HA -0.149 4.688 4.740 0.161 0.000 0.191 2101 N C 1.789 177.364 175.510 0.108 0.000 1.031 2101 N CA 0.978 54.093 53.050 0.108 0.000 0.852 2101 N CB -0.324 38.202 38.487 0.065 0.000 1.018 2101 N HN -0.037 nan 8.380 nan 0.000 0.423 2102 V N 1.049 121.013 119.914 0.084 0.000 2.261 2102 V HA -0.168 4.049 4.120 0.161 0.000 0.246 2102 V C 2.311 178.463 176.094 0.097 0.000 1.047 2102 V CA 1.267 63.611 62.300 0.072 0.000 1.015 2102 V CB -0.581 31.268 31.823 0.044 0.000 0.642 2102 V HN 0.340 nan 8.190 nan 0.000 0.446 2103 L N -0.154 121.127 121.223 0.097 0.000 2.017 2103 L HA -0.177 4.260 4.340 0.161 0.000 0.208 2103 L C 2.670 179.743 176.870 0.338 0.000 1.073 2103 L CA 1.881 56.799 54.840 0.131 0.000 0.745 2103 L CB -0.659 41.353 42.059 -0.078 0.000 0.894 2103 L HN 0.400 nan 8.230 nan 0.000 0.432 2104 A N -0.488 122.610 122.820 0.463 0.000 1.917 2104 A HA -0.310 4.106 4.320 0.161 0.000 0.219 2104 A C 2.166 179.824 177.584 0.124 0.000 1.182 2104 A CA 2.110 54.301 52.037 0.257 0.000 0.633 2104 A CB -0.623 18.449 19.000 0.120 0.000 0.819 2104 A HN 0.555 nan 8.150 nan 0.000 0.448 2105 E N -0.960 119.312 120.200 0.120 0.000 2.106 2105 E HA -0.160 4.287 4.350 0.161 0.000 0.192 2105 E C 2.048 178.715 176.600 0.112 0.000 0.984 2105 E CA 1.232 57.685 56.400 0.089 0.000 0.806 2105 E CB -0.156 29.590 29.700 0.077 0.000 0.750 2105 E HN 0.685 nan 8.360 nan 0.000 0.458 2106 M N -0.291 119.392 119.600 0.138 0.000 2.175 2106 M HA -0.142 4.435 4.480 0.161 0.000 0.264 2106 M C 2.194 178.617 176.300 0.205 0.000 1.063 2106 M CA 0.824 56.228 55.300 0.173 0.000 1.119 2106 M CB 0.180 32.873 32.600 0.154 0.000 1.377 2106 M HN 0.043 nan 8.290 nan 0.000 0.415 2107 V N 0.661 120.692 119.914 0.194 0.000 2.323 2107 V HA -0.238 3.978 4.120 0.161 0.000 0.244 2107 V C 2.001 178.170 176.094 0.125 0.000 1.041 2107 V CA 1.582 64.023 62.300 0.235 0.000 1.025 2107 V CB -0.793 31.156 31.823 0.211 0.000 0.656 2107 V HN 0.465 nan 8.190 nan 0.000 0.451 2108 N N 0.558 119.301 118.700 0.072 0.000 2.104 2108 N HA -0.183 4.654 4.740 0.161 0.000 0.190 2108 N C 1.514 177.051 175.510 0.044 0.000 1.024 2108 N CA 1.824 54.891 53.050 0.028 0.000 0.853 2108 N CB -0.413 38.081 38.487 0.012 0.000 1.008 2108 N HN 0.474 nan 8.380 nan 0.000 0.424 2109 D N 0.433 120.884 120.400 0.086 0.000 2.224 2109 D HA 0.016 4.753 4.640 0.161 0.000 0.205 2109 D C 1.768 178.145 176.300 0.128 0.000 0.965 2109 D CA 0.728 54.792 54.000 0.105 0.000 0.852 2109 D CB -0.146 40.739 40.800 0.140 0.000 0.947 2109 D HN 0.248 nan 8.370 nan 0.000 0.494 2110 A N 0.249 123.143 122.820 0.123 0.000 1.898 2110 A HA 0.037 4.453 4.320 0.161 0.000 0.214 2110 A C 1.200 178.700 177.584 -0.139 0.000 1.183 2110 A CA 0.517 52.562 52.037 0.012 0.000 0.622 2110 A CB -0.033 18.834 19.000 -0.222 0.000 0.824 2110 A HN 0.151 nan 8.150 nan 0.000 0.444 2111 V N -0.507 119.323 119.914 -0.139 0.000 2.398 2111 V HA 0.420 4.636 4.120 0.161 0.000 0.286 2111 V C -2.000 174.046 176.094 -0.081 0.000 1.026 2111 V CA -1.829 60.375 62.300 -0.160 0.000 0.868 2111 V CB 1.547 33.248 31.823 -0.203 0.000 0.982 2111 V HN 0.198 nan 8.190 nan 0.000 0.443 2112 P HA -0.212 nan 4.420 nan 0.000 0.219 2112 P C 1.636 178.899 177.300 -0.060 0.000 1.158 2112 P CA 2.558 65.628 63.100 -0.050 0.000 0.895 2112 P CB 0.137 31.810 31.700 -0.044 0.000 0.792 2113 S N -2.242 113.411 115.700 -0.078 0.000 2.528 2113 S HA 0.074 4.641 4.470 0.161 0.000 0.219 2113 S C 0.809 175.360 174.600 -0.081 0.000 0.985 2113 S CA -0.037 58.107 58.200 -0.093 0.000 0.914 2113 S CB -0.784 62.338 63.200 -0.130 0.000 0.776 2113 S HN 0.014 nan 8.310 nan 0.000 0.526 2114 I N 2.305 122.834 120.570 -0.068 0.000 2.352 2114 I HA 0.267 4.534 4.170 0.161 0.000 0.290 2114 I C 0.770 176.852 176.117 -0.059 0.000 1.036 2114 I CA -0.159 61.101 61.300 -0.067 0.000 1.336 2114 I CB 1.203 39.167 38.000 -0.059 0.000 1.407 2114 I HN 0.270 nan 8.210 nan 0.000 0.497 2115 E N 5.387 125.546 120.200 -0.068 0.000 2.453 2115 E HA 0.254 4.700 4.350 0.161 0.000 0.211 2115 E C 0.072 176.631 176.600 -0.069 0.000 0.897 2115 E CA 0.123 56.489 56.400 -0.056 0.000 1.063 2115 E CB 1.284 30.953 29.700 -0.052 0.000 1.080 2115 E HN 0.568 nan 8.360 nan 0.000 0.512 2116 M N 1.765 121.306 119.600 -0.099 0.000 2.371 2116 M HA 0.325 4.901 4.480 0.161 0.000 0.287 2116 M C -2.002 174.174 176.300 -0.207 0.000 1.149 2116 M CA -0.829 54.391 55.300 -0.134 0.000 0.929 2116 M CB 2.314 34.845 32.600 -0.115 0.000 1.683 2116 M HN -0.128 nan 8.290 nan 0.000 0.470 2117 V N 1.372 121.109 119.914 -0.295 0.000 2.876 2117 V HA 0.838 5.054 4.120 0.161 0.000 0.312 2117 V C -1.206 174.516 176.094 -0.619 0.000 1.085 2117 V CA -0.840 61.179 62.300 -0.468 0.000 0.945 2117 V CB 1.788 33.280 31.823 -0.552 0.000 1.017 2117 V HN 0.951 nan 8.190 nan 0.000 0.428 2118 R N 2.145 122.188 120.500 -0.763 0.000 2.409 2118 R HA 0.616 5.052 4.340 0.161 0.000 0.313 2118 R C -1.597 174.378 176.300 -0.542 0.000 0.953 2118 R CA -0.877 54.811 56.100 -0.688 0.000 0.849 2118 R CB 0.736 30.506 30.300 -0.883 0.000 1.171 2118 R HN 0.658 nan 8.270 nan 0.000 0.458 2119 F N 4.615 124.489 119.950 -0.126 0.000 2.399 2119 F HA 0.408 5.032 4.527 0.160 0.000 0.342 2119 F C 1.010 176.819 175.800 0.014 0.000 1.106 2119 F CA -0.107 57.871 58.000 -0.038 0.000 1.196 2119 F CB 1.130 40.117 39.000 -0.021 0.000 1.163 2119 F HN 0.380 nan 8.300 nan 0.000 0.547 2120 V N -0.162 119.910 119.914 0.264 0.000 3.119 2120 V HA 0.511 4.727 4.120 0.161 0.000 0.309 2120 V C -0.455 175.728 176.094 0.148 0.000 1.304 2120 V CA -0.920 61.494 62.300 0.191 0.000 1.057 2120 V CB 1.818 33.764 31.823 0.205 0.000 1.150 2120 V HN 0.653 nan 8.190 nan 0.000 0.474 2121 N N 0.548 119.314 118.700 0.110 0.000 2.184 2121 N HA 0.420 5.256 4.740 0.161 0.000 0.206 2121 N C -0.134 175.424 175.510 0.080 0.000 1.151 2121 N CA 0.576 53.676 53.050 0.083 0.000 0.878 2121 N CB 0.609 39.136 38.487 0.067 0.000 1.014 2121 N HN 0.985 nan 8.380 nan 0.000 0.512 2122 S N -3.170 112.583 115.700 0.088 0.000 2.627 2122 S HA 0.450 5.016 4.470 0.161 0.000 0.268 2122 S C 0.797 175.440 174.600 0.072 0.000 1.130 2122 S CA -0.579 57.668 58.200 0.080 0.000 0.819 2122 S CB 0.656 63.902 63.200 0.076 0.000 1.100 2122 S HN -0.029 nan 8.310 nan 0.000 0.465 2123 G N 0.667 109.504 108.800 0.062 0.000 2.408 2123 G HA2 -0.006 4.051 3.960 0.161 0.000 0.217 2123 G HA3 -0.006 4.051 3.960 0.161 0.000 0.217 2123 G C 1.064 175.950 174.900 -0.023 0.000 1.150 2123 G CA 1.507 46.629 45.100 0.037 0.000 0.776 2123 G HN 0.798 nan 8.290 nan 0.000 0.542 2124 T N 0.944 115.475 114.554 -0.040 0.000 2.708 2124 T HA -0.087 4.360 4.350 0.161 0.000 0.266 2124 T C 2.193 176.846 174.700 -0.079 0.000 1.037 2124 T CA 1.546 63.574 62.100 -0.120 0.000 1.146 2124 T CB -0.168 68.583 68.868 -0.195 0.000 0.865 2124 T HN 0.464 nan 8.240 nan 0.000 0.435 2125 E N 0.917 121.101 120.200 -0.027 0.000 2.072 2125 E HA -0.038 4.409 4.350 0.161 0.000 0.191 2125 E C 2.603 179.192 176.600 -0.018 0.000 0.985 2125 E CA 0.886 57.281 56.400 -0.008 0.000 0.801 2125 E CB -0.212 29.513 29.700 0.041 0.000 0.750 2125 E HN 0.470 nan 8.360 nan 0.000 0.452 2126 A N 1.027 123.865 122.820 0.029 0.000 1.865 2126 A HA -0.214 4.203 4.320 0.161 0.000 0.217 2126 A C 2.476 180.008 177.584 -0.087 0.000 1.191 2126 A CA 1.408 53.474 52.037 0.048 0.000 0.623 2126 A CB -0.946 18.132 19.000 0.130 0.000 0.826 2126 A HN 0.362 nan 8.150 nan 0.000 0.444 2127 C N -0.015 119.257 119.300 -0.048 0.000 2.446 2127 C HA -0.121 4.436 4.460 0.161 0.000 0.277 2127 C C 3.029 178.087 174.990 0.114 0.000 1.275 2127 C CA 1.358 60.364 59.018 -0.021 0.000 1.727 2127 C CB -1.306 26.333 27.740 -0.168 0.000 2.010 2127 C HN 0.806 nan 8.230 nan 0.000 0.486 2128 M N 1.275 120.930 119.600 0.092 0.000 2.229 2128 M HA -0.001 4.575 4.480 0.161 0.000 0.264 2128 M C 2.169 178.389 176.300 -0.133 0.000 1.063 2128 M CA 2.284 57.599 55.300 0.026 0.000 1.114 2128 M CB -0.726 31.861 32.600 -0.020 0.000 1.387 2128 M HN 0.201 nan 8.290 nan 0.000 0.420 2129 A N 0.729 123.389 122.820 -0.267 0.000 1.897 2129 A HA -0.026 4.391 4.320 0.161 0.000 0.215 2129 A C 2.284 179.500 177.584 -0.614 0.000 1.181 2129 A CA 1.582 53.305 52.037 -0.523 0.000 0.620 2129 A CB -1.069 17.381 19.000 -0.916 0.000 0.821 2129 A HN 0.362 nan 8.150 nan 0.000 0.443 2130 V N -0.510 119.076 119.914 -0.546 0.000 2.427 2130 V HA -0.183 4.034 4.120 0.161 0.000 0.248 2130 V C 2.399 178.413 176.094 -0.133 0.000 1.051 2130 V CA 2.082 64.207 62.300 -0.292 0.000 1.048 2130 V CB -0.330 31.421 31.823 -0.119 0.000 0.666 2130 V HN 0.545 nan 8.190 nan 0.000 0.456 2131 L N 0.124 121.291 121.223 -0.093 0.000 2.046 2131 L HA -0.144 4.292 4.340 0.161 0.000 0.208 2131 L C 2.598 179.408 176.870 -0.100 0.000 1.077 2131 L CA 2.353 57.147 54.840 -0.077 0.000 0.747 2131 L CB -0.590 41.389 42.059 -0.133 0.000 0.896 2131 L HN 0.261 nan 8.230 nan 0.000 0.432 2132 R N -0.907 119.522 120.500 -0.118 0.000 2.092 2132 R HA -0.164 4.273 4.340 0.161 0.000 0.231 2132 R C 2.196 178.473 176.300 -0.038 0.000 1.119 2132 R CA 1.620 57.671 56.100 -0.082 0.000 0.970 2132 R CB -0.331 29.920 30.300 -0.082 0.000 0.864 2132 R HN 0.401 nan 8.270 nan 0.000 0.440 2133 I N 0.402 120.944 120.570 -0.047 0.000 2.353 2133 I HA -0.180 4.086 4.170 0.161 0.000 0.248 2133 I C 1.735 177.887 176.117 0.057 0.000 1.119 2133 I CA 1.441 62.756 61.300 0.025 0.000 1.417 2133 I CB -0.077 37.951 38.000 0.047 0.000 1.078 2133 I HN 0.249 nan 8.210 nan 0.000 0.421 2134 M N -0.136 119.476 119.600 0.019 0.000 2.065 2134 M HA -0.244 4.333 4.480 0.161 0.000 0.259 2134 M C 2.436 178.778 176.300 0.070 0.000 1.069 2134 M CA 1.969 57.295 55.300 0.044 0.000 1.110 2134 M CB -0.523 32.081 32.600 0.007 0.000 1.328 2134 M HN 0.153 nan 8.290 nan 0.000 0.405 2135 R N -0.092 120.420 120.500 0.021 0.000 2.092 2135 R HA -0.052 4.385 4.340 0.161 0.000 0.231 2135 R C 2.309 178.628 176.300 0.030 0.000 1.119 2135 R CA 1.395 57.502 56.100 0.011 0.000 0.970 2135 R CB -0.530 29.753 30.300 -0.028 0.000 0.864 2135 R HN 0.390 nan 8.270 nan 0.000 0.440 2136 A N 0.400 123.249 122.820 0.047 0.000 1.930 2136 A HA -0.197 4.220 4.320 0.161 0.000 0.217 2136 A C 1.949 179.578 177.584 0.076 0.000 1.175 2136 A CA 0.992 53.061 52.037 0.054 0.000 0.627 2136 A CB -0.571 18.468 19.000 0.065 0.000 0.815 2136 A HN 0.400 nan 8.150 nan 0.000 0.443 2137 Y N 1.519 121.820 120.300 0.003 0.000 2.220 2137 Y HA -0.168 4.479 4.550 0.161 0.000 0.291 2137 Y C 2.832 178.736 175.900 0.006 0.000 1.129 2137 Y CA 2.362 60.466 58.100 0.006 0.000 1.161 2137 Y CB -0.343 38.122 38.460 0.008 0.000 0.997 2137 Y HN 0.417 nan 8.280 nan 0.000 0.522 2138 T N -3.660 110.929 114.554 0.059 0.000 3.067 2138 T HA 0.213 4.660 4.350 0.161 0.000 0.257 2138 T C 1.704 176.380 174.700 -0.040 0.000 1.105 2138 T CA 0.620 62.716 62.100 -0.006 0.000 1.104 2138 T CB -0.507 68.414 68.868 0.087 0.000 0.925 2138 T HN 0.639 nan 8.240 nan 0.000 0.498 2139 G N 1.687 110.470 108.800 -0.028 0.000 2.153 2139 G HA2 -0.259 3.798 3.960 0.161 0.000 0.252 2139 G HA3 -0.259 3.798 3.960 0.161 0.000 0.252 2139 G C 0.047 174.935 174.900 -0.019 0.000 0.994 2139 G CA 0.136 45.218 45.100 -0.031 0.000 0.698 2139 G HN 0.727 nan 8.290 nan 0.000 0.521 2140 R N -0.721 119.773 120.500 -0.010 0.000 2.832 2140 R HA 0.592 5.029 4.340 0.161 0.000 0.271 2140 R C 0.082 176.364 176.300 -0.030 0.000 0.996 2140 R CA -0.783 55.308 56.100 -0.016 0.000 0.977 2140 R CB 1.088 31.385 30.300 -0.005 0.000 1.168 2140 R HN 0.022 nan 8.270 nan 0.000 0.482 2141 D N 0.713 121.086 120.400 -0.045 0.000 2.431 2141 D HA 0.025 4.762 4.640 0.161 0.000 0.227 2141 D C -0.284 175.965 176.300 -0.085 0.000 1.030 2141 D CA 0.720 54.683 54.000 -0.062 0.000 0.897 2141 D CB 0.542 41.306 40.800 -0.059 0.000 1.058 2141 D HN 0.231 nan 8.370 nan 0.000 0.500 2142 K N 1.156 121.500 120.400 -0.094 0.000 2.368 2142 K HA 0.206 4.623 4.320 0.161 0.000 0.282 2142 K C -0.109 176.402 176.600 -0.149 0.000 1.035 2142 K CA 0.031 56.243 56.287 -0.126 0.000 0.973 2142 K CB 1.514 33.929 32.500 -0.142 0.000 0.957 2142 K HN -0.090 nan 8.250 nan 0.000 0.474 2143 I N 4.193 124.670 120.570 -0.155 0.000 2.569 2143 I HA 0.351 4.617 4.170 0.161 0.000 0.296 2143 I C -0.035 175.976 176.117 -0.175 0.000 1.028 2143 I CA -0.807 60.403 61.300 -0.151 0.000 1.082 2143 I CB 1.779 39.701 38.000 -0.131 0.000 1.264 2143 I HN 0.524 nan 8.210 nan 0.000 0.429 2144 I N 5.896 126.348 120.570 -0.196 0.000 2.330 2144 I HA 0.275 4.542 4.170 0.161 0.000 0.289 2144 I C -0.049 175.922 176.117 -0.243 0.000 1.001 2144 I CA -0.600 60.545 61.300 -0.257 0.000 1.193 2144 I CB 1.138 38.937 38.000 -0.335 0.000 1.345 2144 I HN 0.548 nan 8.210 nan 0.000 0.461 2145 K N 5.322 125.590 120.400 -0.219 0.000 2.350 2145 K HA 0.685 5.101 4.320 0.161 0.000 0.241 2145 K C -1.407 175.039 176.600 -0.256 0.000 0.994 2145 K CA -0.693 55.540 56.287 -0.090 0.000 0.839 2145 K CB 1.788 34.398 32.500 0.182 0.000 1.244 2145 K HN 0.130 nan 8.250 nan 0.000 0.443 2146 F N 0.793 120.898 119.950 0.257 0.000 2.422 2146 F HA 0.262 4.885 4.527 0.160 0.000 0.333 2146 F C 0.576 176.467 175.800 0.152 0.000 1.095 2146 F CA -0.680 57.467 58.000 0.246 0.000 1.038 2146 F CB 1.759 41.014 39.000 0.425 0.000 1.156 2146 F HN 0.643 nan 8.300 nan 0.000 0.483 2147 E N 1.106 121.481 120.200 0.291 0.000 2.376 2147 E HA 0.353 4.799 4.350 0.161 0.000 0.266 2147 E C 0.941 177.567 176.600 0.042 0.000 1.009 2147 E CA 0.956 57.425 56.400 0.115 0.000 0.902 2147 E CB 0.395 30.182 29.700 0.145 0.000 0.972 2147 E HN 0.894 nan 8.360 nan 0.000 0.439 2148 G N 3.275 111.924 108.800 -0.252 0.000 2.232 2148 G HA2 -0.266 3.791 3.960 0.161 0.000 0.226 2148 G HA3 -0.266 3.791 3.960 0.161 0.000 0.226 2148 G C 0.172 174.951 174.900 -0.201 0.000 0.996 2148 G CA -0.018 44.869 45.100 -0.355 0.000 0.626 2148 G HN 0.648 nan 8.290 nan 0.000 0.509 2149 C N 0.714 119.953 119.300 -0.101 0.000 2.463 2149 C HA 0.680 5.237 4.460 0.161 0.000 0.380 2149 C C 0.093 174.901 174.990 -0.304 0.000 1.264 2149 C CA -0.414 58.506 59.018 -0.163 0.000 2.161 2149 C CB 0.210 27.956 27.740 0.009 0.000 2.515 2149 C HN 0.408 nan 8.230 nan 0.000 0.565 2150 Y N 2.599 122.556 120.300 -0.572 0.000 2.376 2150 Y HA 0.447 5.099 4.550 0.169 0.000 0.340 2150 Y C 0.422 175.861 175.900 -0.768 0.000 0.965 2150 Y CA -0.448 57.328 58.100 -0.539 0.000 1.078 2150 Y CB 0.632 38.919 38.460 -0.289 0.000 1.193 2150 Y HN 0.765 nan 8.280 nan 0.000 0.452 2151 H N 4.335 122.778 119.070 -1.045 0.000 2.651 2151 H HA 0.437 5.091 4.556 0.164 0.000 0.241 2151 H C 0.588 175.206 175.328 -1.183 0.000 1.225 2151 H CA 0.062 55.444 56.048 -1.108 0.000 0.942 2151 H CB 0.384 29.214 29.762 -1.554 0.000 1.996 2151 H HN 0.940 nan 8.280 nan 0.000 0.600 2152 G N 1.298 109.247 108.800 -1.418 0.000 2.710 2152 G HA2 -0.253 3.803 3.960 0.161 0.000 0.668 2152 G HA3 -0.253 3.803 3.960 0.161 0.000 0.668 2152 G C 0.119 174.783 174.900 -0.393 0.000 1.320 2152 G CA -0.205 44.466 45.100 -0.715 0.000 0.860 2152 G HN 0.665 nan 8.290 nan 0.000 0.538 2153 H N -0.792 118.282 119.070 0.008 0.000 2.519 2153 H HA 0.718 5.371 4.556 0.160 0.000 0.289 2153 H C 1.281 176.692 175.328 0.138 0.000 1.040 2153 H CA 0.872 56.998 56.048 0.129 0.000 1.165 2153 H CB -0.197 29.653 29.762 0.147 0.000 1.462 2153 H HN 1.207 nan 8.280 nan 0.000 0.555 2154 A N 0.915 123.745 122.820 0.016 0.000 2.531 2154 A HA -0.048 4.369 4.320 0.161 0.000 0.236 2154 A C 0.916 178.543 177.584 0.073 0.000 1.062 2154 A CA 0.151 52.213 52.037 0.042 0.000 0.760 2154 A CB 0.216 19.267 19.000 0.084 0.000 0.995 2154 A HN 0.513 nan 8.150 nan 0.000 0.501 2155 D N 2.124 122.530 120.400 0.009 0.000 2.126 2155 D HA -0.250 4.487 4.640 0.161 0.000 0.190 2155 D C 1.895 178.147 176.300 -0.080 0.000 1.001 2155 D CA 2.497 56.492 54.000 -0.009 0.000 0.841 2155 D CB -0.353 40.434 40.800 -0.022 0.000 0.949 2155 D HN 0.722 nan 8.370 nan 0.000 0.446 2156 M N -0.875 118.586 119.600 -0.232 0.000 2.337 2156 M HA -0.083 4.493 4.480 0.161 0.000 0.261 2156 M C 1.890 178.000 176.300 -0.317 0.000 1.067 2156 M CA 1.324 56.422 55.300 -0.337 0.000 1.074 2156 M CB -0.946 31.343 32.600 -0.519 0.000 1.395 2156 M HN -0.027 nan 8.290 nan 0.000 0.431 2157 F N -0.462 119.474 119.950 -0.023 0.000 2.569 2157 F HA 0.131 4.755 4.527 0.162 0.000 0.295 2157 F C 0.763 176.570 175.800 0.012 0.000 1.115 2157 F CA -0.295 57.704 58.000 -0.003 0.000 1.450 2157 F CB -0.003 38.984 39.000 -0.021 0.000 1.107 2157 F HN -0.022 nan 8.300 nan 0.000 0.563 2158 L N 1.568 122.894 121.223 0.170 0.000 2.803 2158 L HA 0.110 4.546 4.340 0.161 0.000 0.241 2158 L C 0.110 177.020 176.870 0.066 0.000 1.404 2158 L CA 0.009 54.921 54.840 0.121 0.000 1.211 2158 L CB -1.078 41.046 42.059 0.108 0.000 1.585 2158 L HN -0.129 nan 8.230 nan 0.000 0.430 2159 V N 0.562 120.516 119.914 0.065 0.000 2.532 2159 V HA 0.357 4.573 4.120 0.161 0.000 0.295 2159 V C 0.422 176.532 176.094 0.025 0.000 1.041 2159 V CA -0.930 61.388 62.300 0.031 0.000 0.926 2159 V CB 2.017 33.851 31.823 0.018 0.000 0.992 2159 V HN 0.504 nan 8.190 nan 0.000 0.457 2160 K N 4.254 124.663 120.400 0.014 0.000 2.185 2160 K HA 0.740 5.157 4.320 0.161 0.000 0.271 2160 K C -0.400 176.208 176.600 0.014 0.000 1.013 2160 K CA 0.414 56.709 56.287 0.013 0.000 0.943 2160 K CB 1.241 33.748 32.500 0.011 0.000 0.998 2160 K HN 1.041 nan 8.250 nan 0.000 0.468 2170 L N 0.545 121.759 121.223 -0.014 0.000 2.325 2170 L HA 0.580 5.017 4.340 0.161 0.000 0.278 2170 L C -2.274 174.595 176.870 -0.003 0.000 1.023 2170 L CA -2.211 52.624 54.840 -0.009 0.000 0.811 2170 L CB 1.640 43.697 42.059 -0.004 0.000 1.249 2170 L HN 0.030 nan 8.230 nan 0.000 0.431 2171 P HA 0.057 nan 4.420 nan 0.000 0.268 2171 P C 0.326 177.633 177.300 0.011 0.000 1.205 2171 P CA 0.135 63.239 63.100 0.006 0.000 0.771 2171 P CB 0.661 32.364 31.700 0.005 0.000 0.858 2172 S N 0.183 115.894 115.700 0.018 0.000 2.511 2172 S HA 0.185 4.752 4.470 0.161 0.000 0.214 2172 S C 0.540 175.150 174.600 0.017 0.000 0.997 2172 S CA 0.049 58.259 58.200 0.017 0.000 0.908 2172 S CB -0.300 62.911 63.200 0.019 0.000 0.803 2172 S HN 0.528 nan 8.310 nan 0.000 0.504 2173 S N 1.114 116.827 115.700 0.022 0.000 2.618 2173 S HA 0.729 5.295 4.470 0.161 0.000 0.277 2173 S C -3.354 171.257 174.600 0.019 0.000 1.138 2173 S CA -1.409 56.804 58.200 0.021 0.000 0.844 2173 S CB 1.300 64.517 63.200 0.028 0.000 1.127 2173 S HN 0.115 nan 8.310 nan 0.000 0.474 2174 P HA 0.461 nan 4.420 nan 0.000 0.274 2174 P C 0.968 178.278 177.300 0.016 0.000 1.246 2174 P CA 0.785 63.892 63.100 0.013 0.000 0.795 2174 P CB 0.216 31.922 31.700 0.010 0.000 1.006 2175 G N -0.849 107.959 108.800 0.013 0.000 2.176 2175 G HA2 -0.195 3.862 3.960 0.161 0.000 0.253 2175 G HA3 -0.195 3.862 3.960 0.161 0.000 0.253 2175 G C -0.141 174.769 174.900 0.017 0.000 0.979 2175 G CA 0.123 45.232 45.100 0.015 0.000 0.641 2175 G HN 0.790 nan 8.290 nan 0.000 0.530 2176 V N 1.023 120.946 119.914 0.015 0.000 2.376 2176 V HA 0.733 4.950 4.120 0.161 0.000 0.287 2176 V C -2.243 173.852 176.094 0.001 0.000 1.015 2176 V CA -2.278 60.029 62.300 0.011 0.000 0.834 2176 V CB 1.626 33.461 31.823 0.019 0.000 1.001 2176 V HN 0.045 nan 8.190 nan 0.000 0.428 2177 P HA 0.176 nan 4.420 nan 0.000 0.262 2177 P C 0.474 177.765 177.300 -0.015 0.000 1.182 2177 P CA 0.135 63.230 63.100 -0.009 0.000 0.761 2177 P CB 0.470 32.162 31.700 -0.012 0.000 0.795 2178 K N 2.820 123.212 120.400 -0.014 0.000 2.113 2178 K HA -0.236 4.180 4.320 0.161 0.000 0.208 2178 K C 1.797 178.382 176.600 -0.025 0.000 1.047 2178 K CA 1.480 57.757 56.287 -0.017 0.000 0.928 2178 K CB -0.163 32.328 32.500 -0.014 0.000 0.716 2178 K HN 0.395 nan 8.250 nan 0.000 0.446 2179 K N 0.885 121.270 120.400 -0.025 0.000 2.160 2179 K HA -0.182 4.235 4.320 0.161 0.000 0.206 2179 K C 2.084 178.659 176.600 -0.040 0.000 1.047 2179 K CA 1.966 58.235 56.287 -0.030 0.000 0.930 2179 K CB -0.085 32.399 32.500 -0.026 0.000 0.720 2179 K HN 0.355 nan 8.250 nan 0.000 0.450 2180 T N -2.878 111.650 114.554 -0.043 0.000 3.043 2180 T HA -0.048 4.399 4.350 0.161 0.000 0.263 2180 T C 1.721 176.376 174.700 -0.076 0.000 1.094 2180 T CA 1.198 63.262 62.100 -0.060 0.000 1.127 2180 T CB -0.202 68.632 68.868 -0.057 0.000 0.905 2180 T HN 0.312 nan 8.240 nan 0.000 0.490 2181 T N -1.410 113.108 114.554 -0.059 0.000 3.081 2181 T HA 0.545 4.992 4.350 0.161 0.000 0.250 2181 T C 2.169 176.833 174.700 -0.060 0.000 1.100 2181 T CA 0.383 62.446 62.100 -0.062 0.000 1.038 2181 T CB -0.259 68.587 68.868 -0.037 0.000 0.962 2181 T HN 0.406 nan 8.240 nan 0.000 0.516 2182 A N 2.945 125.732 122.820 -0.055 0.000 1.933 2182 A HA -0.069 4.348 4.320 0.161 0.000 0.218 2182 A C 2.111 179.654 177.584 -0.067 0.000 1.175 2182 A CA 1.178 53.183 52.037 -0.053 0.000 0.628 2182 A CB -0.595 18.378 19.000 -0.045 0.000 0.814 2182 A HN 0.515 nan 8.150 nan 0.000 0.444 2183 N N 0.232 118.884 118.700 -0.080 0.000 2.362 2183 N HA 0.019 4.855 4.740 0.161 0.000 0.204 2183 N C -0.670 174.771 175.510 -0.115 0.000 1.166 2183 N CA 0.447 53.440 53.050 -0.095 0.000 0.831 2183 N CB 0.190 38.619 38.487 -0.096 0.000 1.008 2183 N HN 0.264 nan 8.380 nan 0.000 0.472 2184 T N 1.679 116.169 114.554 -0.106 0.000 2.809 2184 T HA 0.402 4.848 4.350 0.161 0.000 0.296 2184 T C -0.281 174.365 174.700 -0.091 0.000 1.015 2184 T CA -0.514 61.522 62.100 -0.107 0.000 0.954 2184 T CB 1.251 70.059 68.868 -0.100 0.000 0.950 2184 T HN -0.147 nan 8.240 nan 0.000 0.450 2185 L N 3.950 125.104 121.223 -0.116 0.000 2.309 2185 L HA 0.668 5.104 4.340 0.161 0.000 0.282 2185 L C 0.961 177.757 176.870 -0.124 0.000 1.036 2185 L CA -0.443 54.325 54.840 -0.119 0.000 0.806 2185 L CB 1.336 43.297 42.059 -0.163 0.000 1.220 2185 L HN 0.721 nan 8.230 nan 0.000 0.429 2186 T N -1.328 113.173 114.554 -0.089 0.000 2.932 2186 T HA 0.872 5.319 4.350 0.161 0.000 0.289 2186 T C -0.260 174.400 174.700 -0.067 0.000 1.039 2186 T CA -0.621 61.429 62.100 -0.082 0.000 1.024 2186 T CB 2.125 70.987 68.868 -0.010 0.000 1.090 2186 T HN 0.654 nan 8.240 nan 0.000 0.496 2187 T N 0.779 115.304 114.554 -0.048 0.000 2.821 2187 T HA 0.629 5.075 4.350 0.161 0.000 0.306 2187 T C -3.158 171.707 174.700 0.275 0.000 1.313 2187 T CA -1.438 60.704 62.100 0.069 0.000 1.012 2187 T CB 1.491 70.379 68.868 0.034 0.000 1.298 2187 T HN 0.510 nan 8.240 nan 0.000 0.502 2188 P HA 0.233 nan 4.420 nan 0.000 0.271 2188 P C -1.177 176.368 177.300 0.408 0.000 1.216 2188 P CA -0.215 63.060 63.100 0.292 0.000 0.776 2188 P CB 0.037 31.832 31.700 0.158 0.000 0.881 2189 Y N 3.136 123.532 120.300 0.160 0.000 2.550 2189 Y HA -0.046 4.603 4.550 0.165 0.000 0.343 2189 Y C 1.325 176.909 175.900 -0.525 0.000 1.245 2189 Y CA 1.024 58.988 58.100 -0.227 0.000 1.462 2189 Y CB -0.235 38.104 38.460 -0.201 0.000 1.340 2189 Y HN 0.589 nan 8.280 nan 0.000 0.604 2190 N N 1.521 119.124 118.700 -1.829 0.000 2.741 2190 N HA -0.261 4.576 4.740 0.161 0.000 0.251 2190 N C -1.528 173.578 175.510 -0.674 0.000 1.112 2190 N CA 0.897 52.925 53.050 -1.702 0.000 0.750 2190 N CB -0.672 37.377 38.487 -0.730 0.000 1.119 2190 N HN 0.504 nan 8.380 nan 0.000 0.561 2191 D N 0.672 120.907 120.400 -0.276 0.000 2.434 2191 D HA 0.233 4.969 4.640 0.161 0.000 0.275 2191 D C 1.014 177.458 176.300 0.240 0.000 1.172 2191 D CA -0.389 53.634 54.000 0.039 0.000 0.916 2191 D CB 0.330 41.182 40.800 0.087 0.000 1.041 2191 D HN 0.156 nan 8.370 nan 0.000 0.501 2192 L N 1.502 122.873 121.223 0.246 0.000 2.042 2192 L HA -0.149 4.288 4.340 0.161 0.000 0.210 2192 L C 2.164 179.137 176.870 0.172 0.000 1.076 2192 L CA 0.892 55.880 54.840 0.247 0.000 0.749 2192 L CB -0.070 42.096 42.059 0.178 0.000 0.893 2192 L HN 0.289 nan 8.230 nan 0.000 0.432 2193 E N 0.261 120.532 120.200 0.119 0.000 2.118 2193 E HA -0.231 4.216 4.350 0.161 0.000 0.195 2193 E C 2.277 178.938 176.600 0.102 0.000 0.992 2193 E CA 1.466 57.921 56.400 0.091 0.000 0.804 2193 E CB -0.260 29.475 29.700 0.059 0.000 0.741 2193 E HN 0.502 nan 8.360 nan 0.000 0.458 2194 A N 0.963 123.854 122.820 0.119 0.000 1.902 2194 A HA -0.135 4.281 4.320 0.161 0.000 0.217 2194 A C 2.645 180.299 177.584 0.117 0.000 1.181 2194 A CA 1.533 53.635 52.037 0.109 0.000 0.623 2194 A CB -0.681 18.395 19.000 0.126 0.000 0.818 2194 A HN 0.140 nan 8.150 nan 0.000 0.443 2195 V N 0.336 120.359 119.914 0.182 0.000 2.295 2195 V HA -0.309 3.908 4.120 0.161 0.000 0.246 2195 V C 2.437 178.658 176.094 0.211 0.000 1.049 2195 V CA 2.409 64.822 62.300 0.189 0.000 1.024 2195 V CB -0.808 31.194 31.823 0.298 0.000 0.648 2195 V HN 0.549 nan 8.190 nan 0.000 0.447 2196 K N 0.479 120.986 120.400 0.178 0.000 2.032 2196 K HA -0.191 4.225 4.320 0.161 0.000 0.209 2196 K C 2.345 179.024 176.600 0.132 0.000 1.048 2196 K CA 1.644 58.018 56.287 0.145 0.000 0.927 2196 K CB -0.538 32.024 32.500 0.102 0.000 0.712 2196 K HN 0.476 nan 8.250 nan 0.000 0.441 2197 A N 1.530 124.408 122.820 0.096 0.000 1.940 2197 A HA -0.158 4.258 4.320 0.161 0.000 0.219 2197 A C 2.152 179.763 177.584 0.045 0.000 1.176 2197 A CA 1.340 53.416 52.037 0.066 0.000 0.631 2197 A CB -0.672 18.358 19.000 0.050 0.000 0.814 2197 A HN 0.173 nan 8.150 nan 0.000 0.446 2198 L N -2.317 118.919 121.223 0.022 0.000 2.046 2198 L HA -0.172 4.265 4.340 0.161 0.000 0.208 2198 L C 2.510 179.318 176.870 -0.103 0.000 1.077 2198 L CA 1.442 56.241 54.840 -0.067 0.000 0.747 2198 L CB -0.576 41.397 42.059 -0.143 0.000 0.896 2198 L HN 0.402 nan 8.230 nan 0.000 0.432 2199 F N -0.012 119.855 119.950 -0.138 0.000 2.171 2199 F HA -0.246 4.378 4.527 0.161 0.000 0.300 2199 F C 2.574 178.312 175.800 -0.105 0.000 1.090 2199 F CA 1.332 59.200 58.000 -0.221 0.000 1.293 2199 F CB -0.379 38.275 39.000 -0.577 0.000 1.013 2199 F HN 0.030 nan 8.300 nan 0.000 0.486 2200 A N -0.213 122.692 122.820 0.140 0.000 1.930 2200 A HA -0.168 4.249 4.320 0.161 0.000 0.217 2200 A C 1.932 179.555 177.584 0.065 0.000 1.175 2200 A CA 1.566 53.673 52.037 0.117 0.000 0.627 2200 A CB -0.655 18.405 19.000 0.100 0.000 0.815 2200 A HN 0.440 nan 8.150 nan 0.000 0.443 2201 E N 0.072 120.290 120.200 0.031 0.000 2.482 2201 E HA -0.017 4.429 4.350 0.161 0.000 0.196 2201 E C -0.312 176.282 176.600 -0.010 0.000 1.047 2201 E CA 0.357 56.761 56.400 0.006 0.000 0.869 2201 E CB 0.009 29.703 29.700 -0.009 0.000 0.836 2201 E HN 0.537 nan 8.360 nan 0.000 0.520 2202 N N 1.356 120.046 118.700 -0.017 0.000 2.664 2202 N HA 0.121 4.958 4.740 0.161 0.000 0.287 2202 N C -2.780 172.733 175.510 0.005 0.000 1.869 2202 N CA -0.862 52.167 53.050 -0.035 0.000 0.832 2202 N CB 1.213 39.639 38.487 -0.103 0.000 1.293 2202 N HN 0.048 nan 8.380 nan 0.000 0.498 2203 P HA -0.012 nan 4.420 nan 0.000 0.262 2203 P C 1.014 178.362 177.300 0.079 0.000 1.182 2203 P CA 1.104 64.266 63.100 0.104 0.000 0.761 2203 P CB 0.596 32.349 31.700 0.089 0.000 0.795 2204 G N 3.259 112.129 108.800 0.117 0.000 2.175 2204 G HA2 -0.290 3.767 3.960 0.161 0.000 0.265 2204 G HA3 -0.290 3.767 3.960 0.161 0.000 0.265 2204 G C 0.623 175.549 174.900 0.043 0.000 0.979 2204 G CA 0.470 45.619 45.100 0.081 0.000 0.663 2204 G HN 0.620 nan 8.290 nan 0.000 0.533 2205 E N -0.859 119.352 120.200 0.019 0.000 2.490 2205 E HA 0.211 4.658 4.350 0.161 0.000 0.209 2205 E C 0.545 177.105 176.600 -0.066 0.000 0.971 2205 E CA -0.444 55.940 56.400 -0.027 0.000 0.988 2205 E CB 0.657 30.329 29.700 -0.047 0.000 1.029 2205 E HN 0.432 nan 8.360 nan 0.000 0.496 2206 I N 1.842 122.359 120.570 -0.088 0.000 2.363 2206 I HA 0.102 4.369 4.170 0.161 0.000 0.292 2206 I C 1.273 177.370 176.117 -0.034 0.000 1.075 2206 I CA 0.025 61.208 61.300 -0.196 0.000 1.333 2206 I CB 0.425 38.042 38.000 -0.639 0.000 1.415 2206 I HN -0.012 nan 8.210 nan 0.000 0.502 2207 A N 5.434 128.227 122.820 -0.044 0.000 1.898 2207 A HA 0.375 4.792 4.320 0.161 0.000 0.216 2207 A C 1.161 178.781 177.584 0.061 0.000 1.181 2207 A CA 1.335 53.385 52.037 0.021 0.000 0.620 2207 A CB -0.202 18.795 19.000 -0.005 0.000 0.819 2207 A HN 0.866 nan 8.150 nan 0.000 0.442 2208 G N -3.266 105.543 108.800 0.014 0.000 2.321 2208 G HA2 0.440 4.496 3.960 0.161 0.000 0.296 2208 G HA3 0.440 4.496 3.960 0.161 0.000 0.296 2208 G C -1.746 173.165 174.900 0.018 0.000 1.287 2208 G CA 0.046 45.190 45.100 0.073 0.000 0.846 2208 G HN 0.555 nan 8.290 nan 0.000 0.508 2209 V N 0.748 120.710 119.914 0.081 0.000 2.540 2209 V HA 0.695 4.912 4.120 0.161 0.000 0.302 2209 V C -0.309 175.857 176.094 0.120 0.000 1.035 2209 V CA -0.644 61.702 62.300 0.077 0.000 0.873 2209 V CB 1.505 33.430 31.823 0.171 0.000 0.992 2209 V HN 0.802 nan 8.190 nan 0.000 0.428 2210 I N 6.654 127.282 120.570 0.098 0.000 2.530 2210 I HA 0.841 5.107 4.170 0.161 0.000 0.297 2210 I C -1.137 175.136 176.117 0.260 0.000 1.011 2210 I CA -0.678 60.676 61.300 0.090 0.000 1.107 2210 I CB 1.661 39.584 38.000 -0.127 0.000 1.285 2210 I HN 0.773 nan 8.210 nan 0.000 0.436 2211 L N 3.033 124.467 121.223 0.351 0.000 2.940 2211 L HA 0.551 4.988 4.340 0.161 0.000 0.270 2211 L C -1.710 175.398 176.870 0.396 0.000 1.030 2211 L CA -0.990 54.190 54.840 0.565 0.000 0.928 2211 L CB 1.848 44.308 42.059 0.668 0.000 1.506 2211 L HN 0.494 nan 8.230 nan 0.000 0.405 2212 E N 2.619 123.028 120.200 0.348 0.000 2.105 2212 E HA 0.231 4.677 4.350 0.161 0.000 0.285 2212 E C -1.804 174.827 176.600 0.052 0.000 1.055 2212 E CA -1.714 54.770 56.400 0.140 0.000 0.843 2212 E CB 1.233 30.967 29.700 0.056 0.000 1.067 2212 E HN 0.472 nan 8.360 nan 0.000 0.398 2213 P HA -0.160 nan 4.420 nan 0.000 0.220 2213 P C 0.139 177.400 177.300 -0.065 0.000 1.144 2213 P CA 1.359 64.178 63.100 -0.467 0.000 0.800 2213 P CB 0.576 31.673 31.700 -1.006 0.000 0.772 2214 I N -0.780 119.763 120.570 -0.045 0.000 2.571 2214 I HA 0.169 4.436 4.170 0.161 0.000 0.289 2214 I C -0.384 175.667 176.117 -0.111 0.000 1.115 2214 I CA -1.208 60.062 61.300 -0.050 0.000 1.045 2214 I CB 3.262 41.220 38.000 -0.071 0.000 1.238 2214 I HN -0.410 nan 8.210 nan 0.000 0.424 2215 V N 5.091 124.839 119.914 -0.276 0.000 2.583 2215 V HA 0.395 4.611 4.120 0.161 0.000 0.287 2215 V C 0.985 177.008 176.094 -0.119 0.000 1.051 2215 V CA 0.294 62.429 62.300 -0.274 0.000 1.010 2215 V CB 1.302 32.808 31.823 -0.529 0.000 0.988 2215 V HN 1.045 nan 8.190 nan 0.000 0.478 2216 G N 2.130 110.936 108.800 0.010 0.000 2.801 2216 G HA2 0.003 4.060 3.960 0.161 0.000 0.213 2216 G HA3 0.003 4.060 3.960 0.161 0.000 0.213 2216 G C 0.711 175.670 174.900 0.098 0.000 1.052 2216 G CA -0.157 45.011 45.100 0.114 0.000 0.868 2216 G HN 0.582 nan 8.290 nan 0.000 0.589 2217 N N 1.195 119.927 118.700 0.054 0.000 2.398 2217 N HA 0.006 4.842 4.740 0.161 0.000 0.188 2217 N C 1.009 176.536 175.510 0.028 0.000 1.122 2217 N CA 0.938 54.003 53.050 0.026 0.000 0.866 2217 N CB 0.577 39.072 38.487 0.013 0.000 0.970 2217 N HN 0.391 nan 8.380 nan 0.000 0.462 2218 S N -1.194 114.567 115.700 0.102 0.000 2.941 2218 S HA 0.488 5.055 4.470 0.161 0.000 0.248 2218 S C 0.423 175.271 174.600 0.414 0.000 0.962 2218 S CA -0.058 58.317 58.200 0.292 0.000 1.092 2218 S CB 0.617 63.956 63.200 0.232 0.000 1.113 2218 S HN 0.328 nan 8.310 nan 0.000 0.512 2219 G N 1.384 110.323 108.800 0.231 0.000 2.712 2219 G HA2 -0.004 4.052 3.960 0.161 0.000 0.683 2219 G HA3 -0.004 4.052 3.960 0.161 0.000 0.683 2219 G C -0.854 174.160 174.900 0.190 0.000 1.320 2219 G CA -0.720 44.446 45.100 0.109 0.000 0.847 2219 G HN 0.811 nan 8.290 nan 0.000 0.553 2220 F N 1.051 120.964 119.950 -0.061 0.000 2.438 2220 F HA 0.700 5.321 4.527 0.157 0.000 0.360 2220 F C 0.704 176.591 175.800 0.144 0.000 1.118 2220 F CA -0.896 57.093 58.000 -0.020 0.000 1.164 2220 F CB 0.152 39.076 39.000 -0.126 0.000 1.131 2220 F HN 0.417 nan 8.300 nan 0.000 0.527 2221 I N 7.311 127.636 120.570 -0.409 0.000 2.439 2221 I HA 0.267 4.534 4.170 0.161 0.000 0.285 2221 I C -0.912 174.919 176.117 -0.476 0.000 1.021 2221 I CA -1.026 60.048 61.300 -0.377 0.000 1.091 2221 I CB 1.720 39.528 38.000 -0.321 0.000 1.242 2221 I HN 0.132 nan 8.210 nan 0.000 0.439 2222 V N 7.844 127.543 119.914 -0.358 0.000 2.607 2222 V HA 0.325 4.542 4.120 0.161 0.000 0.289 2222 V C -1.852 174.286 176.094 0.074 0.000 1.053 2222 V CA -1.458 60.752 62.300 -0.150 0.000 0.996 2222 V CB 1.368 33.147 31.823 -0.073 0.000 0.995 2222 V HN 0.583 nan 8.190 nan 0.000 0.476 2223 P HA 0.173 nan 4.420 nan 0.000 0.275 2223 P C -0.789 176.547 177.300 0.060 0.000 1.228 2223 P CA -0.403 62.815 63.100 0.196 0.000 0.786 2223 P CB 0.805 32.723 31.700 0.363 0.000 0.927 2224 D N 0.532 120.927 120.400 -0.007 0.000 2.357 2224 D HA 0.207 4.944 4.640 0.161 0.000 0.242 2224 D C 0.488 176.790 176.300 0.003 0.000 1.153 2224 D CA 0.135 54.134 54.000 -0.001 0.000 0.918 2224 D CB 0.621 41.389 40.800 -0.054 0.000 1.181 2224 D HN 0.370 nan 8.370 nan 0.000 0.435 2225 A N 0.358 123.157 122.820 -0.034 0.000 2.566 2225 A HA 0.398 4.815 4.320 0.161 0.000 0.245 2225 A C 1.438 179.018 177.584 -0.007 0.000 1.056 2225 A CA 0.765 52.770 52.037 -0.054 0.000 0.757 2225 A CB -0.343 18.625 19.000 -0.052 0.000 0.979 2225 A HN 0.801 nan 8.150 nan 0.000 0.508 2226 G N 1.474 110.271 108.800 -0.006 0.000 2.253 2226 G HA2 -0.349 3.708 3.960 0.161 0.000 0.251 2226 G HA3 -0.349 3.708 3.960 0.161 0.000 0.251 2226 G C 0.877 175.813 174.900 0.061 0.000 0.998 2226 G CA 0.999 46.111 45.100 0.019 0.000 0.621 2226 G HN 1.356 nan 8.290 nan 0.000 0.524 2227 F N 1.594 121.494 119.950 -0.084 0.000 2.046 2227 F HA 0.082 4.706 4.527 0.162 0.000 0.297 2227 F C 2.609 178.370 175.800 -0.065 0.000 1.123 2227 F CA 2.369 60.302 58.000 -0.113 0.000 1.199 2227 F CB -0.647 38.228 39.000 -0.208 0.000 0.972 2227 F HN 0.200 nan 8.300 nan 0.000 0.474 2228 L N -0.211 120.894 121.223 -0.197 0.000 2.046 2228 L HA -0.209 4.228 4.340 0.161 0.000 0.208 2228 L C 2.336 179.168 176.870 -0.064 0.000 1.077 2228 L CA 1.672 56.409 54.840 -0.171 0.000 0.747 2228 L CB -0.903 41.220 42.059 0.106 0.000 0.896 2228 L HN 0.124 nan 8.230 nan 0.000 0.432 2229 E N 0.486 120.674 120.200 -0.021 0.000 2.077 2229 E HA -0.155 4.292 4.350 0.161 0.000 0.193 2229 E C 2.228 178.805 176.600 -0.038 0.000 0.989 2229 E CA 1.278 57.672 56.400 -0.009 0.000 0.800 2229 E CB -0.535 29.165 29.700 0.000 0.000 0.746 2229 E HN 0.467 nan 8.360 nan 0.000 0.452 2230 G N 0.505 109.271 108.800 -0.058 0.000 2.418 2230 G HA2 -0.222 3.834 3.960 0.161 0.000 0.217 2230 G HA3 -0.222 3.834 3.960 0.161 0.000 0.217 2230 G C 1.513 176.370 174.900 -0.072 0.000 1.158 2230 G CA 0.561 45.633 45.100 -0.048 0.000 0.771 2230 G HN 0.153 nan 8.290 nan 0.000 0.545 2231 L N -0.042 121.088 121.223 -0.155 0.000 2.083 2231 L HA -0.040 4.397 4.340 0.161 0.000 0.209 2231 L C 2.904 179.752 176.870 -0.036 0.000 1.083 2231 L CA 1.118 55.896 54.840 -0.104 0.000 0.752 2231 L CB -0.277 41.658 42.059 -0.205 0.000 0.899 2231 L HN 0.165 nan 8.230 nan 0.000 0.433 2232 R N 0.772 121.246 120.500 -0.043 0.000 2.092 2232 R HA -0.134 4.303 4.340 0.161 0.000 0.231 2232 R C 1.907 178.182 176.300 -0.043 0.000 1.119 2232 R CA 1.472 57.547 56.100 -0.043 0.000 0.970 2232 R CB -0.340 29.933 30.300 -0.046 0.000 0.864 2232 R HN 0.382 nan 8.270 nan 0.000 0.440 2233 E N 0.324 120.499 120.200 -0.042 0.000 2.028 2233 E HA -0.152 4.294 4.350 0.161 0.000 0.191 2233 E C 2.003 178.569 176.600 -0.057 0.000 0.988 2233 E CA 1.714 58.088 56.400 -0.044 0.000 0.799 2233 E CB -0.397 29.282 29.700 -0.035 0.000 0.755 2233 E HN 0.562 nan 8.360 nan 0.000 0.447 2234 I N 0.409 120.940 120.570 -0.065 0.000 2.315 2234 I HA -0.196 4.071 4.170 0.161 0.000 0.248 2234 I C 2.485 178.488 176.117 -0.190 0.000 1.117 2234 I CA 1.799 63.032 61.300 -0.112 0.000 1.404 2234 I CB -0.650 37.252 38.000 -0.163 0.000 1.071 2234 I HN 0.045 nan 8.210 nan 0.000 0.419 2235 T N 0.347 114.826 114.554 -0.125 0.000 2.788 2235 T HA -0.091 4.356 4.350 0.161 0.000 0.268 2235 T C 1.960 176.644 174.700 -0.026 0.000 1.044 2235 T CA 1.499 63.569 62.100 -0.050 0.000 1.139 2235 T CB -0.896 68.008 68.868 0.059 0.000 0.867 2235 T HN 0.453 nan 8.240 nan 0.000 0.454 2236 L N 0.687 121.886 121.223 -0.039 0.000 2.056 2236 L HA -0.043 4.393 4.340 0.161 0.000 0.207 2236 L C 3.038 179.872 176.870 -0.060 0.000 1.078 2236 L CA 1.613 56.432 54.840 -0.035 0.000 0.749 2236 L CB -0.560 41.474 42.059 -0.042 0.000 0.901 2236 L HN 0.354 nan 8.230 nan 0.000 0.433 2237 E N -0.516 119.624 120.200 -0.100 0.000 2.085 2237 E HA -0.226 4.220 4.350 0.161 0.000 0.194 2237 E C 1.261 177.677 176.600 -0.306 0.000 0.994 2237 E CA 1.368 57.647 56.400 -0.202 0.000 0.801 2237 E CB -0.100 29.449 29.700 -0.252 0.000 0.743 2237 E HN 0.599 nan 8.360 nan 0.000 0.453 2238 H N -0.070 118.864 119.070 -0.228 0.000 2.537 2238 H HA 0.090 4.743 4.556 0.161 0.000 0.295 2238 H C -0.443 174.880 175.328 -0.009 0.000 1.054 2238 H CA 0.173 56.134 56.048 -0.145 0.000 1.156 2238 H CB 0.094 29.677 29.762 -0.298 0.000 1.468 2238 H HN 0.031 nan 8.280 nan 0.000 0.551 2239 D N 0.263 120.696 120.400 0.055 0.000 2.686 2239 D HA -0.194 4.543 4.640 0.161 0.000 0.235 2239 D C -0.463 175.922 176.300 0.141 0.000 1.160 2239 D CA 0.772 54.819 54.000 0.078 0.000 0.645 2239 D CB -1.028 39.807 40.800 0.060 0.000 1.039 2239 D HN 0.545 nan 8.370 nan 0.000 0.423 2240 A N -0.017 122.901 122.820 0.164 0.000 2.384 2240 A HA 0.704 5.121 4.320 0.161 0.000 0.312 2240 A C -0.531 177.144 177.584 0.151 0.000 1.113 2240 A CA -0.757 51.411 52.037 0.217 0.000 0.779 2240 A CB 1.112 20.361 19.000 0.416 0.000 1.307 2240 A HN 0.145 nan 8.150 nan 0.000 0.436 2241 L N 0.605 121.907 121.223 0.131 0.000 2.418 2241 L HA 0.495 4.931 4.340 0.161 0.000 0.265 2241 L C -0.237 176.666 176.870 0.056 0.000 1.143 2241 L CA -0.194 54.683 54.840 0.061 0.000 0.809 2241 L CB 1.056 43.135 42.059 0.033 0.000 1.124 2241 L HN 0.640 nan 8.230 nan 0.000 0.456 2242 L N 3.226 124.446 121.223 -0.006 0.000 2.325 2242 L HA 0.634 5.071 4.340 0.161 0.000 0.281 2242 L C -0.964 175.874 176.870 -0.052 0.000 1.004 2242 L CA -0.210 54.626 54.840 -0.007 0.000 0.823 2242 L CB 1.609 43.620 42.059 -0.080 0.000 1.236 2242 L HN 0.254 nan 8.230 nan 0.000 0.415 2243 V N 5.744 125.694 119.914 0.060 0.000 2.409 2243 V HA 0.451 4.667 4.120 0.161 0.000 0.291 2243 V C -0.613 175.663 176.094 0.304 0.000 1.020 2243 V CA -0.474 61.875 62.300 0.081 0.000 0.848 2243 V CB 1.298 33.150 31.823 0.047 0.000 0.990 2243 V HN 0.468 nan 8.190 nan 0.000 0.430 2244 F N 2.840 122.807 119.950 0.028 0.000 2.405 2244 F HA 0.375 5.000 4.527 0.163 0.000 0.355 2244 F C 0.542 176.374 175.800 0.054 0.000 1.121 2244 F CA -1.505 56.527 58.000 0.053 0.000 1.112 2244 F CB 1.201 40.220 39.000 0.032 0.000 1.126 2244 F HN 0.508 nan 8.300 nan 0.000 0.481 2245 D N 3.831 124.375 120.400 0.240 0.000 2.441 2245 D HA 0.075 4.811 4.640 0.161 0.000 0.221 2245 D C 0.181 176.570 176.300 0.149 0.000 1.156 2245 D CA 0.148 54.254 54.000 0.177 0.000 0.896 2245 D CB 0.271 41.222 40.800 0.253 0.000 1.028 2245 D HN 0.565 nan 8.370 nan 0.000 0.509 2246 E N 2.791 123.075 120.200 0.140 0.000 2.499 2246 E HA 0.055 4.501 4.350 0.161 0.000 0.207 2246 E C 1.488 178.166 176.600 0.130 0.000 1.034 2246 E CA -0.167 56.300 56.400 0.112 0.000 1.098 2246 E CB 1.016 30.769 29.700 0.089 0.000 1.148 2246 E HN 0.311 nan 8.360 nan 0.000 0.447 2247 V N 0.872 120.864 119.914 0.131 0.000 2.392 2247 V HA -0.273 3.944 4.120 0.161 0.000 0.249 2247 V C 2.184 178.361 176.094 0.138 0.000 1.059 2247 V CA 1.842 64.222 62.300 0.132 0.000 1.051 2247 V CB -0.237 31.650 31.823 0.107 0.000 0.658 2247 V HN 0.408 nan 8.190 nan 0.000 0.455 2248 M N -0.212 119.477 119.600 0.148 0.000 2.447 2248 M HA -0.071 4.506 4.480 0.161 0.000 0.266 2248 M C 2.186 178.610 176.300 0.206 0.000 1.120 2248 M CA 1.692 57.099 55.300 0.178 0.000 1.166 2248 M CB 0.094 32.844 32.600 0.250 0.000 1.349 2248 M HN 0.538 nan 8.290 nan 0.000 0.463 2249 T N -1.951 112.706 114.554 0.171 0.000 3.035 2249 T HA 0.182 4.629 4.350 0.161 0.000 0.259 2249 T C 1.191 175.954 174.700 0.105 0.000 1.078 2249 T CA 0.359 62.545 62.100 0.144 0.000 1.132 2249 T CB -1.041 67.865 68.868 0.063 0.000 0.900 2249 T HN 0.402 nan 8.240 nan 0.000 0.480 2250 G N 0.602 109.463 108.800 0.102 0.000 2.265 2250 G HA2 0.313 4.369 3.960 0.161 0.000 0.240 2250 G HA3 0.313 4.369 3.960 0.161 0.000 0.240 2250 G C -0.018 175.006 174.900 0.205 0.000 1.270 2250 G CA -0.417 44.714 45.100 0.051 0.000 0.901 2250 G HN 0.394 nan 8.290 nan 0.000 0.507 2251 F N -0.757 119.211 119.950 0.030 0.000 2.935 2251 F HA -0.280 4.343 4.527 0.160 0.000 0.317 2251 F C 1.968 177.952 175.800 0.308 0.000 0.699 2251 F CA 1.671 59.740 58.000 0.115 0.000 1.127 2251 F CB -0.984 38.052 39.000 0.060 0.000 1.491 2251 F HN 0.601 nan 8.300 nan 0.000 0.337 2252 R N 0.215 120.930 120.500 0.358 0.000 2.144 2252 R HA 0.207 4.643 4.340 0.161 0.000 0.195 2252 R C 2.016 178.540 176.300 0.374 0.000 1.077 2252 R CA 0.470 56.800 56.100 0.382 0.000 1.120 2252 R CB 0.052 30.528 30.300 0.293 0.000 1.060 2252 R HN 0.200 nan 8.270 nan 0.000 0.520 2253 I N 1.431 122.120 120.570 0.197 0.000 2.493 2253 I HA 0.047 4.314 4.170 0.161 0.000 0.254 2253 I C 0.792 176.909 176.117 0.000 0.000 1.160 2253 I CA 1.078 62.438 61.300 0.099 0.000 1.445 2253 I CB -0.668 37.310 38.000 -0.037 0.000 1.086 2253 I HN 0.330 nan 8.210 nan 0.000 0.433 2254 A N -2.034 120.697 122.820 -0.148 0.000 2.567 2254 A HA 0.271 4.688 4.320 0.161 0.000 0.291 2254 A C 0.091 177.307 177.584 -0.614 0.000 1.048 2254 A CA -0.579 51.095 52.037 -0.605 0.000 0.661 2254 A CB -0.212 18.578 19.000 -0.351 0.000 1.288 2254 A HN 0.033 nan 8.150 nan 0.000 0.424 2255 Y N 0.965 120.681 120.300 -0.973 0.000 2.193 2255 Y HA -0.035 4.611 4.550 0.161 0.000 0.285 2255 Y C 1.983 177.631 175.900 -0.419 0.000 1.166 2255 Y CA 3.097 61.017 58.100 -0.301 0.000 1.181 2255 Y CB 0.014 38.428 38.460 -0.077 0.000 0.976 2255 Y HN 0.755 nan 8.280 nan 0.000 0.520 2256 G N -0.893 107.688 108.800 -0.365 0.000 3.284 2256 G HA2 0.415 4.472 3.960 0.161 0.000 0.236 2256 G HA3 0.415 4.472 3.960 0.161 0.000 0.236 2256 G C 0.661 175.344 174.900 -0.363 0.000 1.158 2256 G CA 0.314 45.168 45.100 -0.409 0.000 0.774 2256 G HN 0.810 nan 8.290 nan 0.000 0.545 2257 G N -0.682 107.902 108.800 -0.359 0.000 2.693 2257 G HA2 -0.223 3.834 3.960 0.161 0.000 0.226 2257 G HA3 -0.223 3.834 3.960 0.161 0.000 0.226 2257 G C 0.971 175.753 174.900 -0.197 0.000 1.354 2257 G CA -0.213 44.749 45.100 -0.230 0.000 0.873 2257 G HN 0.571 nan 8.290 nan 0.000 0.562 2258 V N 1.565 121.364 119.914 -0.191 0.000 2.343 2258 V HA -0.246 3.971 4.120 0.161 0.000 0.247 2258 V C 3.090 179.093 176.094 -0.152 0.000 1.051 2258 V CA 3.219 65.314 62.300 -0.342 0.000 1.036 2258 V CB -0.896 30.695 31.823 -0.387 0.000 0.654 2258 V HN 0.871 nan 8.190 nan 0.000 0.451 2259 Q N 0.459 120.309 119.800 0.085 0.000 2.152 2259 Q HA -0.311 4.126 4.340 0.161 0.000 0.206 2259 Q C 2.118 178.164 176.000 0.078 0.000 0.985 2259 Q CA 2.314 58.251 55.803 0.223 0.000 0.863 2259 Q CB -0.471 28.397 28.738 0.216 0.000 0.904 2259 Q HN 0.776 nan 8.270 nan 0.000 0.422 2260 E N 1.450 121.639 120.200 -0.018 0.000 2.016 2260 E HA -0.179 4.267 4.350 0.161 0.000 0.190 2260 E C 2.108 178.708 176.600 -0.001 0.000 0.985 2260 E CA 0.867 57.251 56.400 -0.028 0.000 0.802 2260 E CB 0.049 29.698 29.700 -0.084 0.000 0.762 2260 E HN 0.323 nan 8.360 nan 0.000 0.448 2261 K N -0.109 120.252 120.400 -0.065 0.000 2.020 2261 K HA -0.152 4.264 4.320 0.161 0.000 0.212 2261 K C 1.890 178.629 176.600 0.231 0.000 1.050 2261 K CA 1.867 58.147 56.287 -0.013 0.000 0.929 2261 K CB -0.252 32.136 32.500 -0.188 0.000 0.714 2261 K HN 0.212 nan 8.250 nan 0.000 0.443 2262 F N -0.439 119.539 119.950 0.048 0.000 2.789 2262 F HA 0.115 4.737 4.527 0.159 0.000 0.300 2262 F C 1.350 177.184 175.800 0.057 0.000 1.132 2262 F CA -0.052 57.981 58.000 0.055 0.000 1.404 2262 F CB 0.504 39.542 39.000 0.063 0.000 1.114 2262 F HN 0.396 nan 8.300 nan 0.000 0.584 2263 G N 1.403 110.338 108.800 0.225 0.000 2.160 2263 G HA2 -0.284 3.772 3.960 0.161 0.000 0.251 2263 G HA3 -0.284 3.772 3.960 0.161 0.000 0.251 2263 G C -0.240 174.733 174.900 0.122 0.000 1.008 2263 G CA 0.069 45.251 45.100 0.136 0.000 0.724 2263 G HN 0.162 nan 8.290 nan 0.000 0.514 2264 V N 0.955 120.978 119.914 0.181 0.000 2.384 2264 V HA 0.594 4.811 4.120 0.161 0.000 0.287 2264 V C 0.464 176.586 176.094 0.048 0.000 1.020 2264 V CA -0.213 62.171 62.300 0.139 0.000 0.850 2264 V CB 1.807 33.780 31.823 0.250 0.000 0.987 2264 V HN 0.277 nan 8.190 nan 0.000 0.436 2265 T N 8.192 122.700 114.554 -0.078 0.000 2.743 2265 T HA 0.398 4.845 4.350 0.161 0.000 0.292 2265 T C -2.284 172.208 174.700 -0.346 0.000 0.972 2265 T CA -0.883 61.107 62.100 -0.182 0.000 0.967 2265 T CB 1.486 70.288 68.868 -0.110 0.000 0.926 2265 T HN 0.523 nan 8.240 nan 0.000 0.459 2266 P HA 0.359 nan 4.420 nan 0.000 0.279 2266 P C -0.043 177.061 177.300 -0.326 0.000 1.276 2266 P CA -0.456 62.255 63.100 -0.649 0.000 0.801 2266 P CB 1.317 32.366 31.700 -1.086 0.000 1.127 2267 D N -0.739 119.515 120.400 -0.243 0.000 2.240 2267 D HA 0.104 4.841 4.640 0.161 0.000 0.206 2267 D C 0.350 176.556 176.300 -0.155 0.000 0.963 2267 D CA 1.282 55.175 54.000 -0.177 0.000 0.863 2267 D CB 0.144 40.851 40.800 -0.155 0.000 0.973 2267 D HN 0.114 nan 8.370 nan 0.000 0.501 2268 L N -0.407 120.737 121.223 -0.131 0.000 2.434 2268 L HA 0.394 4.831 4.340 0.161 0.000 0.260 2268 L C -0.264 176.590 176.870 -0.026 0.000 0.983 2268 L CA -0.657 54.143 54.840 -0.066 0.000 0.820 2268 L CB 2.225 44.264 42.059 -0.032 0.000 1.361 2268 L HN -0.173 nan 8.230 nan 0.000 0.410 2269 T N -1.395 113.174 114.554 0.024 0.000 2.956 2269 T HA 0.766 5.212 4.350 0.161 0.000 0.312 2269 T C -0.542 174.223 174.700 0.108 0.000 1.151 2269 T CA -0.252 61.898 62.100 0.082 0.000 1.024 2269 T CB 1.605 70.524 68.868 0.086 0.000 1.140 2269 T HN 0.726 nan 8.240 nan 0.000 0.473 2270 T N 2.294 116.924 114.554 0.126 0.000 2.929 2270 T HA 0.808 5.255 4.350 0.161 0.000 0.284 2270 T C -0.162 174.622 174.700 0.140 0.000 1.014 2270 T CA -0.813 61.369 62.100 0.138 0.000 1.051 2270 T CB 0.940 69.869 68.868 0.103 0.000 1.028 2270 T HN 0.685 nan 8.240 nan 0.000 0.485 2271 L N 0.448 121.766 121.223 0.158 0.000 2.341 2271 L HA 0.902 5.338 4.340 0.161 0.000 0.254 2271 L C 0.555 177.528 176.870 0.171 0.000 1.040 2271 L CA -0.946 54.004 54.840 0.182 0.000 0.837 2271 L CB 2.284 44.484 42.059 0.235 0.000 1.425 2271 L HN 1.098 nan 8.230 nan 0.000 0.414 2272 G N -1.241 107.660 108.800 0.169 0.000 2.364 2272 G HA2 0.319 4.376 3.960 0.161 0.000 0.286 2272 G HA3 0.319 4.376 3.960 0.161 0.000 0.286 2272 G C -0.980 173.983 174.900 0.105 0.000 1.241 2272 G CA -0.189 44.989 45.100 0.130 0.000 0.887 2272 G HN 0.394 nan 8.290 nan 0.000 0.484 2273 K N -0.993 119.455 120.400 0.080 0.000 3.478 2273 K HA -0.311 4.106 4.320 0.161 0.000 0.200 2273 K C 2.091 178.706 176.600 0.024 0.000 0.746 2273 K CA 2.200 58.520 56.287 0.055 0.000 0.572 2273 K CB -1.787 30.742 32.500 0.048 0.000 0.767 2273 K HN 0.638 nan 8.250 nan 0.000 0.790 2274 I N 2.052 122.637 120.570 0.025 0.000 2.236 2274 I HA -0.274 3.992 4.170 0.161 0.000 0.249 2274 I C 2.312 178.358 176.117 -0.119 0.000 1.102 2274 I CA 2.143 63.430 61.300 -0.021 0.000 1.365 2274 I CB -0.511 37.516 38.000 0.044 0.000 1.051 2274 I HN 0.469 nan 8.210 nan 0.000 0.420 2275 I N -1.728 118.765 120.570 -0.127 0.000 3.241 2275 I HA 0.012 4.279 4.170 0.161 0.000 0.280 2275 I C 1.747 177.786 176.117 -0.129 0.000 1.320 2275 I CA 1.249 62.431 61.300 -0.198 0.000 1.413 2275 I CB -0.635 37.314 38.000 -0.086 0.000 1.060 2275 I HN 0.107 nan 8.210 nan 0.000 0.500 2276 G N 0.272 109.025 108.800 -0.078 0.000 3.228 2276 G HA2 0.335 4.392 3.960 0.161 0.000 0.245 2276 G HA3 0.335 4.392 3.960 0.161 0.000 0.245 2276 G C 1.209 176.076 174.900 -0.055 0.000 1.051 2276 G CA 0.128 45.185 45.100 -0.070 0.000 0.809 2276 G HN 0.593 nan 8.290 nan 0.000 0.531 2277 G N -0.136 108.630 108.800 -0.056 0.000 2.337 2277 G HA2 0.157 4.214 3.960 0.161 0.000 0.290 2277 G HA3 0.157 4.214 3.960 0.161 0.000 0.290 2277 G C 1.289 176.189 174.900 0.001 0.000 1.003 2277 G CA 1.457 46.536 45.100 -0.036 0.000 0.825 2277 G HN 1.839 nan 8.290 nan 0.000 0.509 2278 G N -2.604 106.206 108.800 0.017 0.000 2.352 2278 G HA2 -0.033 4.024 3.960 0.161 0.000 0.204 2278 G HA3 -0.033 4.024 3.960 0.161 0.000 0.204 2278 G C 0.277 175.204 174.900 0.046 0.000 1.004 2278 G CA 0.216 45.346 45.100 0.050 0.000 0.648 2278 G HN 1.067 nan 8.290 nan 0.000 0.491 2279 L N 2.350 123.584 121.223 0.019 0.000 2.439 2279 L HA 0.566 5.002 4.340 0.161 0.000 0.261 2279 L C -1.866 175.015 176.870 0.018 0.000 1.153 2279 L CA -1.826 53.021 54.840 0.013 0.000 0.808 2279 L CB 0.197 42.247 42.059 -0.015 0.000 1.126 2279 L HN -0.103 nan 8.230 nan 0.000 0.460 2280 P HA 0.125 nan 4.420 nan 0.000 0.261 2280 P C -0.870 176.447 177.300 0.027 0.000 1.183 2280 P CA 0.376 63.498 63.100 0.037 0.000 0.761 2280 P CB 0.665 32.387 31.700 0.037 0.000 0.785 2281 V N 2.674 122.615 119.914 0.046 0.000 3.258 2281 V HA 0.909 5.126 4.120 0.161 0.000 0.299 2281 V C -0.689 175.462 176.094 0.096 0.000 1.376 2281 V CA -0.021 62.310 62.300 0.053 0.000 1.063 2281 V CB 2.364 34.197 31.823 0.017 0.000 1.103 2281 V HN 0.736 nan 8.190 nan 0.000 0.451 2282 G N 1.344 110.230 108.800 0.144 0.000 2.489 2282 G HA2 0.935 4.991 3.960 0.161 0.000 0.291 2282 G HA3 0.935 4.991 3.960 0.161 0.000 0.291 2282 G C -1.225 173.822 174.900 0.245 0.000 1.487 2282 G CA 0.145 45.348 45.100 0.172 0.000 0.795 2282 G HN 1.945 nan 8.290 nan 0.000 0.513 2283 A N -0.555 122.401 122.820 0.227 0.000 2.599 2283 A HA 0.860 5.276 4.320 0.161 0.000 0.294 2283 A C -1.597 176.103 177.584 0.194 0.000 1.055 2283 A CA -0.517 51.621 52.037 0.168 0.000 0.683 2283 A CB 0.969 20.043 19.000 0.124 0.000 1.278 2283 A HN 2.266 nan 8.150 nan 0.000 0.412 2284 Y N -0.668 119.606 120.300 -0.043 0.000 2.492 2284 Y HA 0.892 5.539 4.550 0.161 0.000 0.346 2284 Y C 0.107 175.955 175.900 -0.086 0.000 0.997 2284 Y CA -0.433 57.642 58.100 -0.042 0.000 1.025 2284 Y CB 1.484 39.927 38.460 -0.028 0.000 1.263 2284 Y HN 1.519 nan 8.280 nan 0.000 0.454 2285 G N -0.019 108.777 108.800 -0.007 0.000 2.600 2285 G HA2 0.721 4.777 3.960 0.161 0.000 0.293 2285 G HA3 0.721 4.777 3.960 0.161 0.000 0.293 2285 G C -0.858 174.009 174.900 -0.055 0.000 1.408 2285 G CA -0.430 44.606 45.100 -0.106 0.000 0.782 2285 G HN 1.551 nan 8.290 nan 0.000 0.482 2286 G N -0.981 107.766 108.800 -0.087 0.000 2.399 2286 G HA2 0.440 4.496 3.960 0.161 0.000 0.256 2286 G HA3 0.440 4.496 3.960 0.161 0.000 0.256 2286 G C -1.309 173.530 174.900 -0.102 0.000 1.236 2286 G CA -0.803 44.241 45.100 -0.093 0.000 0.914 2286 G HN 0.678 nan 8.290 nan 0.000 0.482 2287 K N 0.702 121.032 120.400 -0.117 0.000 2.489 2287 K HA 0.080 4.496 4.320 0.161 0.000 0.278 2287 K C 1.342 177.883 176.600 -0.098 0.000 1.000 2287 K CA -0.136 56.087 56.287 -0.106 0.000 1.012 2287 K CB 1.452 33.876 32.500 -0.128 0.000 0.903 2287 K HN 0.740 nan 8.250 nan 0.000 0.485 2288 R N 2.757 123.216 120.500 -0.069 0.000 2.120 2288 R HA -0.175 4.262 4.340 0.161 0.000 0.234 2288 R C 1.759 178.037 176.300 -0.035 0.000 1.123 2288 R CA 1.866 57.934 56.100 -0.053 0.000 0.975 2288 R CB 0.091 30.368 30.300 -0.038 0.000 0.866 2288 R HN 0.795 nan 8.270 nan 0.000 0.446 2289 E N 0.366 120.549 120.200 -0.029 0.000 2.085 2289 E HA -0.235 4.212 4.350 0.161 0.000 0.194 2289 E C 1.935 178.555 176.600 0.033 0.000 0.994 2289 E CA 1.562 57.975 56.400 0.021 0.000 0.801 2289 E CB -0.411 29.314 29.700 0.041 0.000 0.743 2289 E HN 0.486 nan 8.360 nan 0.000 0.453 2290 I N 0.426 120.920 120.570 -0.126 0.000 2.277 2290 I HA -0.166 4.101 4.170 0.161 0.000 0.243 2290 I C 2.583 178.676 176.117 -0.040 0.000 1.094 2290 I CA 0.618 61.787 61.300 -0.219 0.000 1.393 2290 I CB -0.228 37.463 38.000 -0.515 0.000 1.078 2290 I HN 0.072 nan 8.210 nan 0.000 0.417 2291 M N 0.281 119.847 119.600 -0.057 0.000 2.267 2291 M HA -0.194 4.383 4.480 0.161 0.000 0.263 2291 M C 2.074 178.369 176.300 -0.009 0.000 1.063 2291 M CA 1.454 56.733 55.300 -0.034 0.000 1.090 2291 M CB -1.070 31.478 32.600 -0.087 0.000 1.392 2291 M HN 0.294 nan 8.290 nan 0.000 0.422 2292 Q N -0.277 119.527 119.800 0.006 0.000 2.500 2292 Q HA -0.043 4.393 4.340 0.161 0.000 0.213 2292 Q C 1.842 177.869 176.000 0.044 0.000 0.974 2292 Q CA 0.821 56.636 55.803 0.019 0.000 0.918 2292 Q CB -0.255 28.498 28.738 0.026 0.000 0.980 2292 Q HN 0.391 nan 8.270 nan 0.000 0.505 2293 L N -0.605 120.661 121.223 0.072 0.000 2.395 2293 L HA -0.018 4.418 4.340 0.161 0.000 0.218 2293 L C 0.622 177.537 176.870 0.075 0.000 1.130 2293 L CA 0.563 55.456 54.840 0.088 0.000 0.826 2293 L CB -0.020 42.119 42.059 0.134 0.000 0.941 2293 L HN -0.147 nan 8.230 nan 0.000 0.451 2294 V N 0.744 120.697 119.914 0.066 0.000 2.572 2294 V HA 0.308 4.525 4.120 0.161 0.000 0.291 2294 V C 0.897 177.009 176.094 0.029 0.000 1.039 2294 V CA -0.755 61.582 62.300 0.062 0.000 1.055 2294 V CB 0.573 32.435 31.823 0.064 0.000 0.969 2294 V HN 0.272 nan 8.190 nan 0.000 0.482 2295 A N 8.136 130.969 122.820 0.023 0.000 2.483 2295 A HA 0.346 4.762 4.320 0.161 0.000 0.238 2295 A C -0.719 176.857 177.584 -0.012 0.000 1.070 2295 A CA -0.649 51.399 52.037 0.019 0.000 0.770 2295 A CB -0.082 18.934 19.000 0.028 0.000 1.008 2295 A HN 0.791 nan 8.150 nan 0.000 0.497 2296 P HA 0.117 nan 4.420 nan 0.000 0.255 2296 P C 0.938 178.254 177.300 0.027 0.000 1.248 2296 P CA 0.916 64.034 63.100 0.030 0.000 0.807 2296 P CB 0.376 32.095 31.700 0.031 0.000 1.150 2297 A N 0.209 123.039 122.820 0.017 0.000 1.929 2297 A HA 0.305 4.722 4.320 0.161 0.000 0.216 2297 A C 1.439 179.040 177.584 0.028 0.000 1.176 2297 A CA 1.397 53.444 52.037 0.017 0.000 0.628 2297 A CB -0.977 18.026 19.000 0.005 0.000 0.816 2297 A HN 0.369 nan 8.150 nan 0.000 0.444 2298 G N -2.373 106.450 108.800 0.037 0.000 3.042 2298 G HA2 0.495 4.551 3.960 0.161 0.000 0.278 2298 G HA3 0.495 4.551 3.960 0.161 0.000 0.278 2298 G C -2.168 172.769 174.900 0.061 0.000 1.371 2298 G CA -0.319 44.810 45.100 0.049 0.000 1.009 2298 G HN -0.044 nan 8.290 nan 0.000 0.523 2299 P HA 0.036 nan 4.420 nan 0.000 0.236 2299 P C 0.763 178.121 177.300 0.097 0.000 1.177 2299 P CA 0.368 63.511 63.100 0.073 0.000 0.773 2299 P CB 0.367 32.097 31.700 0.051 0.000 0.878 2300 M N 0.644 120.299 119.600 0.092 0.000 2.184 2300 M HA 0.117 4.693 4.480 0.161 0.000 0.351 2300 M C -0.794 175.581 176.300 0.124 0.000 1.395 2300 M CA -0.625 54.736 55.300 0.102 0.000 1.117 2300 M CB 0.088 32.738 32.600 0.084 0.000 1.708 2300 M HN -0.161 nan 8.290 nan 0.000 0.468 2301 Y N 5.264 125.583 120.300 0.031 0.000 2.319 2301 Y HA 0.279 4.925 4.550 0.161 0.000 0.328 2301 Y C -0.352 175.573 175.900 0.041 0.000 1.133 2301 Y CA 0.537 58.658 58.100 0.035 0.000 1.265 2301 Y CB 0.546 39.020 38.460 0.022 0.000 1.218 2301 Y HN 0.619 nan 8.280 nan 0.000 0.508 2302 Q N 4.502 123.881 119.800 -0.702 0.000 2.430 2302 Q HA 0.616 5.053 4.340 0.161 0.000 0.253 2302 Q C -2.289 173.377 176.000 -0.557 0.000 0.945 2302 Q CA -0.452 55.098 55.803 -0.423 0.000 0.964 2302 Q CB 1.537 30.230 28.738 -0.075 0.000 1.460 2302 Q HN 0.897 nan 8.270 nan 0.000 0.428 2303 A N 1.263 123.853 122.820 -0.384 0.000 2.566 2303 A HA 1.016 5.433 4.320 0.161 0.000 0.292 2303 A C -0.847 176.716 177.584 -0.035 0.000 1.112 2303 A CA -0.122 51.790 52.037 -0.209 0.000 0.707 2303 A CB 2.118 21.018 19.000 -0.166 0.000 1.302 2303 A HN 0.816 nan 8.150 nan 0.000 0.409 2304 G N -0.264 108.542 108.800 0.010 0.000 2.160 2304 G HA2 0.455 4.511 3.960 0.161 0.000 0.288 2304 G HA3 0.455 4.511 3.960 0.161 0.000 0.288 2304 G C 0.208 175.138 174.900 0.050 0.000 1.335 2304 G CA 0.545 45.672 45.100 0.045 0.000 1.249 2304 G HN 0.676 nan 8.290 nan 0.000 0.614 2305 T N 2.235 116.821 114.554 0.054 0.000 2.653 2305 T HA -0.166 4.280 4.350 0.161 0.000 0.268 2305 T C 1.981 176.711 174.700 0.049 0.000 1.035 2305 T CA 1.230 63.362 62.100 0.054 0.000 1.154 2305 T CB -0.112 68.788 68.868 0.053 0.000 0.862 2305 T HN 0.356 nan 8.240 nan 0.000 0.441 2306 L N 1.002 122.250 121.223 0.043 0.000 2.700 2306 L HA 0.256 4.692 4.340 0.161 0.000 0.234 2306 L C 0.637 177.525 176.870 0.029 0.000 1.156 2306 L CA -0.365 54.492 54.840 0.029 0.000 0.946 2306 L CB -0.072 41.997 42.059 0.016 0.000 1.216 2306 L HN 0.058 nan 8.230 nan 0.000 0.493 2307 S N 0.318 116.048 115.700 0.050 0.000 2.584 2307 S HA 0.322 4.888 4.470 0.161 0.000 0.270 2307 S C 1.273 175.908 174.600 0.059 0.000 1.346 2307 S CA 0.474 58.714 58.200 0.068 0.000 1.018 2307 S CB 0.974 64.234 63.200 0.100 0.000 0.899 2307 S HN 0.602 nan 8.310 nan 0.000 0.542 2308 G N 1.722 110.547 108.800 0.042 0.000 2.198 2308 G HA2 -0.299 3.758 3.960 0.161 0.000 0.260 2308 G HA3 -0.299 3.758 3.960 0.161 0.000 0.260 2308 G C -0.095 174.768 174.900 -0.061 0.000 1.025 2308 G CA 0.258 45.345 45.100 -0.021 0.000 0.769 2308 G HN 0.827 nan 8.290 nan 0.000 0.507 2309 N N 0.976 119.627 118.700 -0.081 0.000 2.359 2309 N HA 0.214 5.051 4.740 0.161 0.000 0.261 2309 N C 0.207 175.628 175.510 -0.147 0.000 1.267 2309 N CA -0.377 52.606 53.050 -0.112 0.000 0.864 2309 N CB 0.873 39.301 38.487 -0.098 0.000 1.063 2309 N HN 0.145 nan 8.380 nan 0.000 0.474 2310 P HA -0.205 nan 4.420 nan 0.000 0.218 2310 P C 1.112 178.331 177.300 -0.134 0.000 1.148 2310 P CA 1.383 64.392 63.100 -0.151 0.000 0.822 2310 P CB 0.191 31.717 31.700 -0.290 0.000 0.784 2311 L N -0.731 120.402 121.223 -0.150 0.000 2.072 2311 L HA -0.056 4.380 4.340 0.161 0.000 0.205 2311 L C 2.861 179.672 176.870 -0.098 0.000 1.079 2311 L CA 1.447 56.223 54.840 -0.106 0.000 0.752 2311 L CB -1.264 40.738 42.059 -0.096 0.000 0.906 2311 L HN -0.058 nan 8.230 nan 0.000 0.436 2312 A N -0.012 122.740 122.820 -0.113 0.000 1.902 2312 A HA -0.196 4.221 4.320 0.161 0.000 0.217 2312 A C 2.334 179.818 177.584 -0.167 0.000 1.181 2312 A CA 1.439 53.404 52.037 -0.119 0.000 0.623 2312 A CB -0.331 18.599 19.000 -0.118 0.000 0.818 2312 A HN 0.253 nan 8.150 nan 0.000 0.443 2313 M N -0.414 119.062 119.600 -0.207 0.000 2.117 2313 M HA -0.102 4.474 4.480 0.161 0.000 0.262 2313 M C 2.221 178.430 176.300 -0.152 0.000 1.065 2313 M CA 2.034 57.185 55.300 -0.248 0.000 1.114 2313 M CB -2.082 30.378 32.600 -0.234 0.000 1.361 2313 M HN 0.424 nan 8.290 nan 0.000 0.408 2314 T N 1.530 116.021 114.554 -0.105 0.000 2.652 2314 T HA -0.110 4.337 4.350 0.161 0.000 0.267 2314 T C 1.922 176.580 174.700 -0.069 0.000 1.039 2314 T CA 1.978 64.038 62.100 -0.068 0.000 1.153 2314 T CB -0.408 68.431 68.868 -0.049 0.000 0.863 2314 T HN 0.505 nan 8.240 nan 0.000 0.428 2315 A N 1.139 123.915 122.820 -0.073 0.000 1.933 2315 A HA 0.134 4.551 4.320 0.161 0.000 0.218 2315 A C 2.587 180.117 177.584 -0.089 0.000 1.175 2315 A CA 1.844 53.842 52.037 -0.066 0.000 0.628 2315 A CB -1.238 17.732 19.000 -0.050 0.000 0.814 2315 A HN 0.527 nan 8.150 nan 0.000 0.444 2316 G N -0.074 108.655 108.800 -0.117 0.000 2.394 2316 G HA2 -0.119 3.938 3.960 0.161 0.000 0.215 2316 G HA3 -0.119 3.938 3.960 0.161 0.000 0.215 2316 G C 1.522 176.338 174.900 -0.140 0.000 1.165 2316 G CA 0.997 46.006 45.100 -0.151 0.000 0.784 2316 G HN 0.458 nan 8.290 nan 0.000 0.535 2317 I N 0.401 120.906 120.570 -0.107 0.000 2.179 2317 I HA -0.145 4.122 4.170 0.161 0.000 0.242 2317 I C 2.683 178.770 176.117 -0.050 0.000 1.088 2317 I CA 1.483 62.745 61.300 -0.064 0.000 1.357 2317 I CB -0.080 37.894 38.000 -0.043 0.000 1.051 2317 I HN 0.096 nan 8.210 nan 0.000 0.409 2318 K N 0.891 121.256 120.400 -0.060 0.000 2.097 2318 K HA -0.134 4.283 4.320 0.161 0.000 0.206 2318 K C 1.964 178.507 176.600 -0.094 0.000 1.049 2318 K CA 1.889 58.137 56.287 -0.065 0.000 0.933 2318 K CB -0.578 31.884 32.500 -0.064 0.000 0.717 2318 K HN 0.180 nan 8.250 nan 0.000 0.442 2319 T N 1.059 115.551 114.554 -0.103 0.000 2.746 2319 T HA -0.098 4.348 4.350 0.161 0.000 0.267 2319 T C 1.499 176.163 174.700 -0.059 0.000 1.039 2319 T CA 1.284 63.317 62.100 -0.111 0.000 1.142 2319 T CB -0.173 68.630 68.868 -0.109 0.000 0.866 2319 T HN 0.030 nan 8.240 nan 0.000 0.444 2320 L N 1.104 122.300 121.223 -0.045 0.000 2.056 2320 L HA 0.012 4.448 4.340 0.161 0.000 0.207 2320 L C 2.461 179.421 176.870 0.149 0.000 1.078 2320 L CA 1.556 56.455 54.840 0.098 0.000 0.749 2320 L CB -0.700 41.383 42.059 0.041 0.000 0.901 2320 L HN 0.315 nan 8.230 nan 0.000 0.433 2321 E N -0.529 119.701 120.200 0.049 0.000 2.058 2321 E HA -0.252 4.194 4.350 0.161 0.000 0.194 2321 E C 2.288 178.881 176.600 -0.011 0.000 0.997 2321 E CA 1.290 57.703 56.400 0.021 0.000 0.801 2321 E CB -0.350 29.347 29.700 -0.005 0.000 0.746 2321 E HN 0.426 nan 8.360 nan 0.000 0.450 2322 L N 0.678 121.872 121.223 -0.049 0.000 2.042 2322 L HA -0.208 4.229 4.340 0.161 0.000 0.210 2322 L C 2.511 179.353 176.870 -0.046 0.000 1.076 2322 L CA 0.931 55.721 54.840 -0.084 0.000 0.749 2322 L CB -0.353 41.587 42.059 -0.198 0.000 0.893 2322 L HN 0.154 nan 8.230 nan 0.000 0.432 2323 L N -0.792 120.439 121.223 0.014 0.000 2.201 2323 L HA -0.166 4.271 4.340 0.161 0.000 0.212 2323 L C 2.542 179.436 176.870 0.040 0.000 1.105 2323 L CA 0.815 55.689 54.840 0.057 0.000 0.775 2323 L CB -0.335 41.903 42.059 0.299 0.000 0.913 2323 L HN 0.168 nan 8.230 nan 0.000 0.440 2324 R N -0.523 119.948 120.500 -0.049 0.000 2.316 2324 R HA -0.033 4.403 4.340 0.161 0.000 0.202 2324 R C 0.547 176.792 176.300 -0.092 0.000 1.029 2324 R CA 0.160 56.138 56.100 -0.202 0.000 1.018 2324 R CB 0.185 30.352 30.300 -0.221 0.000 0.888 2324 R HN 0.257 nan 8.270 nan 0.000 0.471 2325 Q N 0.734 120.506 119.800 -0.048 0.000 2.392 2325 Q HA 0.125 4.562 4.340 0.161 0.000 0.262 2325 Q C -2.226 173.769 176.000 -0.009 0.000 1.003 2325 Q CA -1.878 53.907 55.803 -0.030 0.000 0.888 2325 Q CB 0.282 29.002 28.738 -0.030 0.000 1.260 2325 Q HN -0.001 nan 8.270 nan 0.000 0.435 2326 P HA 0.039 nan 4.420 nan 0.000 0.268 2326 P C 0.496 177.813 177.300 0.029 0.000 1.205 2326 P CA 0.848 63.961 63.100 0.020 0.000 0.771 2326 P CB 0.430 32.138 31.700 0.013 0.000 0.858 2327 G N 1.625 110.463 108.800 0.063 0.000 2.184 2327 G HA2 -0.315 3.742 3.960 0.161 0.000 0.264 2327 G HA3 -0.315 3.742 3.960 0.161 0.000 0.264 2327 G C 1.228 176.184 174.900 0.093 0.000 0.975 2327 G CA 0.764 45.912 45.100 0.080 0.000 0.642 2327 G HN 0.483 nan 8.290 nan 0.000 0.536 2328 T N -0.231 114.352 114.554 0.047 0.000 2.622 2328 T HA -0.115 4.332 4.350 0.161 0.000 0.266 2328 T C 1.932 176.587 174.700 -0.075 0.000 1.047 2328 T CA 2.066 64.133 62.100 -0.055 0.000 1.159 2328 T CB -0.282 68.471 68.868 -0.192 0.000 0.863 2328 T HN 0.482 nan 8.240 nan 0.000 0.422 2329 Y N 1.372 121.748 120.300 0.126 0.000 2.373 2329 Y HA 0.009 4.655 4.550 0.160 0.000 0.293 2329 Y C 2.481 178.445 175.900 0.106 0.000 1.129 2329 Y CA 0.637 58.809 58.100 0.121 0.000 1.226 2329 Y CB -0.261 38.267 38.460 0.113 0.000 1.000 2329 Y HN 0.287 nan 8.280 nan 0.000 0.549 2330 E N -0.832 119.505 120.200 0.229 0.000 2.072 2330 E HA -0.224 4.223 4.350 0.161 0.000 0.191 2330 E C 1.726 178.409 176.600 0.139 0.000 0.985 2330 E CA 1.328 57.826 56.400 0.163 0.000 0.801 2330 E CB -0.539 29.246 29.700 0.142 0.000 0.750 2330 E HN 0.511 nan 8.360 nan 0.000 0.452 2331 Y N 1.186 121.508 120.300 0.037 0.000 2.114 2331 Y HA -0.205 4.442 4.550 0.162 0.000 0.284 2331 Y C 1.817 177.724 175.900 0.012 0.000 1.143 2331 Y CA 1.486 59.595 58.100 0.015 0.000 1.135 2331 Y CB -0.309 38.149 38.460 -0.002 0.000 0.980 2331 Y HN -0.031 nan 8.280 nan 0.000 0.499 2332 L N -0.114 121.110 121.223 0.001 0.000 1.990 2332 L HA -0.278 4.158 4.340 0.161 0.000 0.213 2332 L C 2.293 179.102 176.870 -0.101 0.000 1.072 2332 L CA 1.980 56.775 54.840 -0.075 0.000 0.755 2332 L CB -0.767 41.312 42.059 0.034 0.000 0.889 2332 L HN 0.231 nan 8.230 nan 0.000 0.432 2333 D N -0.613 119.783 120.400 -0.006 0.000 2.104 2333 D HA -0.264 4.472 4.640 0.161 0.000 0.194 2333 D C 2.198 178.453 176.300 -0.075 0.000 0.994 2333 D CA 1.407 55.406 54.000 -0.002 0.000 0.830 2333 D CB 0.005 40.843 40.800 0.064 0.000 0.959 2333 D HN 0.272 nan 8.370 nan 0.000 0.452 2334 Q N 0.263 120.000 119.800 -0.106 0.000 1.985 2334 Q HA -0.200 4.237 4.340 0.161 0.000 0.207 2334 Q C 2.557 178.433 176.000 -0.207 0.000 0.996 2334 Q CA 2.387 58.109 55.803 -0.135 0.000 0.851 2334 Q CB -0.449 28.214 28.738 -0.125 0.000 0.921 2334 Q HN 0.613 nan 8.270 nan 0.000 0.418 2335 I N -1.516 118.841 120.570 -0.354 0.000 2.315 2335 I HA -0.144 4.122 4.170 0.161 0.000 0.248 2335 I C 1.878 177.829 176.117 -0.277 0.000 1.117 2335 I CA 1.711 62.814 61.300 -0.328 0.000 1.404 2335 I CB -0.679 37.050 38.000 -0.451 0.000 1.071 2335 I HN 0.056 nan 8.210 nan 0.000 0.419 2336 T N 1.134 115.524 114.554 -0.272 0.000 2.857 2336 T HA -0.140 4.307 4.350 0.161 0.000 0.266 2336 T C 1.853 176.383 174.700 -0.284 0.000 1.048 2336 T CA 1.722 63.636 62.100 -0.311 0.000 1.139 2336 T CB -0.195 68.545 68.868 -0.212 0.000 0.874 2336 T HN 0.447 nan 8.240 nan 0.000 0.455 2337 K N 1.257 121.548 120.400 -0.181 0.000 2.057 2337 K HA -0.055 4.362 4.320 0.161 0.000 0.206 2337 K C 2.503 179.014 176.600 -0.149 0.000 1.050 2337 K CA 0.973 57.183 56.287 -0.129 0.000 0.935 2337 K CB -0.076 32.382 32.500 -0.069 0.000 0.715 2337 K HN 0.154 nan 8.250 nan 0.000 0.439 2338 R N 0.898 121.303 120.500 -0.159 0.000 2.096 2338 R HA -0.082 4.355 4.340 0.161 0.000 0.235 2338 R C 2.382 178.562 176.300 -0.200 0.000 1.127 2338 R CA 1.051 57.063 56.100 -0.147 0.000 0.968 2338 R CB -0.249 29.974 30.300 -0.128 0.000 0.861 2338 R HN 0.323 nan 8.270 nan 0.000 0.440 2339 L N 0.122 121.171 121.223 -0.290 0.000 2.005 2339 L HA -0.161 4.276 4.340 0.161 0.000 0.207 2339 L C 2.412 179.025 176.870 -0.430 0.000 1.072 2339 L CA 2.004 56.597 54.840 -0.413 0.000 0.744 2339 L CB -0.546 41.135 42.059 -0.630 0.000 0.895 2339 L HN 0.320 nan 8.230 nan 0.000 0.433 2340 S N -0.350 115.100 115.700 -0.415 0.000 2.356 2340 S HA -0.214 4.352 4.470 0.161 0.000 0.223 2340 S C 1.561 176.071 174.600 -0.150 0.000 1.032 2340 S CA 1.715 59.752 58.200 -0.272 0.000 1.005 2340 S CB -0.269 62.827 63.200 -0.174 0.000 0.867 2340 S HN 0.493 nan 8.310 nan 0.000 0.449 2341 D N 0.734 121.059 120.400 -0.125 0.000 2.117 2341 D HA -0.020 4.716 4.640 0.161 0.000 0.197 2341 D C 2.118 178.367 176.300 -0.086 0.000 0.987 2341 D CA 1.282 55.238 54.000 -0.073 0.000 0.829 2341 D CB -1.076 39.687 40.800 -0.061 0.000 0.961 2341 D HN 0.538 nan 8.370 nan 0.000 0.460 2342 G N 0.765 109.486 108.800 -0.132 0.000 2.446 2342 G HA2 -0.223 3.833 3.960 0.161 0.000 0.217 2342 G HA3 -0.223 3.833 3.960 0.161 0.000 0.217 2342 G C 1.606 176.414 174.900 -0.153 0.000 1.168 2342 G CA 0.402 45.423 45.100 -0.130 0.000 0.771 2342 G HN 0.151 nan 8.290 nan 0.000 0.551 2343 L N 0.460 121.534 121.223 -0.248 0.000 1.989 2343 L HA 0.006 4.442 4.340 0.161 0.000 0.211 2343 L C 2.964 179.738 176.870 -0.159 0.000 1.071 2343 L CA 1.223 55.826 54.840 -0.395 0.000 0.749 2343 L CB -0.916 40.691 42.059 -0.753 0.000 0.890 2343 L HN 0.193 nan 8.230 nan 0.000 0.431 2344 L N -1.354 119.874 121.223 0.009 0.000 2.083 2344 L HA -0.202 4.235 4.340 0.161 0.000 0.209 2344 L C 2.609 179.523 176.870 0.073 0.000 1.083 2344 L CA 1.127 56.051 54.840 0.141 0.000 0.752 2344 L CB -0.849 41.274 42.059 0.106 0.000 0.899 2344 L HN 0.279 nan 8.230 nan 0.000 0.433 2345 A N 0.435 123.265 122.820 0.016 0.000 1.873 2345 A HA -0.149 4.268 4.320 0.161 0.000 0.215 2345 A C 2.233 179.832 177.584 0.026 0.000 1.186 2345 A CA 1.441 53.486 52.037 0.013 0.000 0.616 2345 A CB -0.624 18.370 19.000 -0.010 0.000 0.823 2345 A HN 0.334 nan 8.150 nan 0.000 0.442 2346 I N -0.167 120.408 120.570 0.009 0.000 2.286 2346 I HA -0.278 3.989 4.170 0.161 0.000 0.248 2346 I C 2.943 179.118 176.117 0.097 0.000 1.115 2346 I CA 0.981 62.299 61.300 0.030 0.000 1.392 2346 I CB -0.338 37.657 38.000 -0.009 0.000 1.065 2346 I HN 0.366 nan 8.210 nan 0.000 0.418 2347 A N 0.322 123.223 122.820 0.136 0.000 1.902 2347 A HA -0.293 4.124 4.320 0.161 0.000 0.217 2347 A C 2.244 179.941 177.584 0.188 0.000 1.181 2347 A CA 2.049 54.237 52.037 0.251 0.000 0.623 2347 A CB -0.595 18.602 19.000 0.328 0.000 0.818 2347 A HN 0.429 nan 8.150 nan 0.000 0.443 2348 Q N 0.816 120.685 119.800 0.115 0.000 2.046 2348 Q HA -0.200 4.236 4.340 0.161 0.000 0.200 2348 Q C 1.891 177.920 176.000 0.049 0.000 0.975 2348 Q CA 2.392 58.237 55.803 0.069 0.000 0.836 2348 Q CB -0.515 28.251 28.738 0.047 0.000 0.896 2348 Q HN 0.832 nan 8.270 nan 0.000 0.428 2349 E N -0.899 119.330 120.200 0.048 0.000 2.268 2349 E HA -0.114 4.332 4.350 0.161 0.000 0.195 2349 E C 1.144 177.765 176.600 0.034 0.000 0.995 2349 E CA 1.478 57.897 56.400 0.032 0.000 0.836 2349 E CB -0.348 29.368 29.700 0.028 0.000 0.763 2349 E HN 0.448 nan 8.360 nan 0.000 0.491 2350 T N -3.201 111.395 114.554 0.069 0.000 3.086 2350 T HA 0.374 4.820 4.350 0.161 0.000 0.250 2350 T C 1.382 176.036 174.700 -0.076 0.000 1.074 2350 T CA 0.051 62.192 62.100 0.069 0.000 0.988 2350 T CB 0.545 69.540 68.868 0.212 0.000 0.988 2350 T HN 0.409 nan 8.240 nan 0.000 0.530 2351 G N 1.256 110.011 108.800 -0.074 0.000 2.160 2351 G HA2 -0.207 3.850 3.960 0.161 0.000 0.244 2351 G HA3 -0.207 3.850 3.960 0.161 0.000 0.244 2351 G C -0.360 174.368 174.900 -0.287 0.000 1.022 2351 G CA -0.117 44.879 45.100 -0.174 0.000 0.741 2351 G HN 0.771 nan 8.290 nan 0.000 0.508 2352 H N -0.025 119.085 119.070 0.066 0.000 2.481 2352 H HA 0.651 5.314 4.556 0.178 0.000 0.333 2352 H C 0.622 176.011 175.328 0.101 0.000 1.066 2352 H CA 0.045 56.148 56.048 0.093 0.000 1.209 2352 H CB 1.710 31.578 29.762 0.176 0.000 1.445 2352 H HN 0.565 nan 8.280 nan 0.000 0.488 2353 A N 2.850 125.778 122.820 0.180 0.000 2.491 2353 A HA 0.566 4.982 4.320 0.161 0.000 0.261 2353 A C -0.045 177.590 177.584 0.085 0.000 1.101 2353 A CA 0.508 52.603 52.037 0.096 0.000 0.772 2353 A CB -0.461 18.572 19.000 0.055 0.000 1.043 2353 A HN 0.803 nan 8.150 nan 0.000 0.501 2354 A N 1.364 124.171 122.820 -0.022 0.000 2.609 2354 A HA 0.780 5.196 4.320 0.161 0.000 0.291 2354 A C -0.507 176.979 177.584 -0.163 0.000 1.096 2354 A CA 0.032 51.928 52.037 -0.234 0.000 0.684 2354 A CB 0.860 19.579 19.000 -0.468 0.000 1.282 2354 A HN 2.558 nan 8.150 nan 0.000 0.412 2355 C N -0.847 118.325 119.300 -0.214 0.000 3.241 2355 C HA 1.030 5.586 4.460 0.161 0.000 0.348 2355 C C 0.127 175.145 174.990 0.048 0.000 1.180 2355 C CA 0.290 59.273 59.018 -0.057 0.000 1.273 2355 C CB 1.097 28.794 27.740 -0.072 0.000 1.620 2355 C HN 2.576 nan 8.230 nan 0.000 0.510 2356 G N 0.340 109.217 108.800 0.128 0.000 2.494 2356 G HA2 1.052 5.109 3.960 0.161 0.000 0.308 2356 G HA3 1.052 5.109 3.960 0.161 0.000 0.308 2356 G C -0.515 174.516 174.900 0.218 0.000 1.263 2356 G CA 0.124 45.363 45.100 0.232 0.000 0.840 2356 G HN 2.571 nan 8.290 nan 0.000 0.479 2357 G N -1.540 107.411 108.800 0.251 0.000 2.320 2357 G HA2 0.745 4.802 3.960 0.161 0.000 0.296 2357 G HA3 0.745 4.802 3.960 0.161 0.000 0.296 2357 G C -1.769 173.211 174.900 0.134 0.000 1.306 2357 G CA 0.579 45.820 45.100 0.235 0.000 0.836 2357 G HN 1.686 nan 8.290 nan 0.000 0.517 2358 Q N -1.942 117.939 119.800 0.135 0.000 2.527 2358 Q HA 0.720 5.157 4.340 0.161 0.000 0.280 2358 Q C -1.713 174.376 176.000 0.149 0.000 0.977 2358 Q CA -1.001 54.732 55.803 -0.117 0.000 0.837 2358 Q CB 2.129 30.785 28.738 -0.135 0.000 1.454 2358 Q HN 1.133 nan 8.270 nan 0.000 0.387 2359 V N 1.560 121.572 119.914 0.164 0.000 2.532 2359 V HA 0.708 4.924 4.120 0.161 0.000 0.294 2359 V C 0.086 176.280 176.094 0.166 0.000 1.036 2359 V CA 0.285 62.738 62.300 0.254 0.000 0.876 2359 V CB 0.796 32.862 31.823 0.405 0.000 1.012 2359 V HN 1.096 nan 8.190 nan 0.000 0.432 2360 S N 4.136 119.918 115.700 0.136 0.000 3.426 2360 S HA -0.175 4.391 4.470 0.161 0.000 0.630 2360 S C 1.296 175.954 174.600 0.098 0.000 2.670 2360 S CA 1.252 59.543 58.200 0.152 0.000 3.374 2360 S CB -1.182 62.160 63.200 0.236 0.000 0.296 2360 S HN 2.133 nan 8.310 nan 0.000 1.445 2361 G N 0.924 109.806 108.800 0.137 0.000 3.375 2361 G HA2 0.408 4.464 3.960 0.161 0.000 0.247 2361 G HA3 0.408 4.464 3.960 0.161 0.000 0.247 2361 G C -0.034 174.972 174.900 0.177 0.000 1.343 2361 G CA 0.613 45.784 45.100 0.118 0.000 1.368 2361 G HN 0.678 nan 8.290 nan 0.000 0.549 2362 M N 0.841 120.482 119.600 0.069 0.000 2.263 2362 M HA 0.682 5.259 4.480 0.161 0.000 0.295 2362 M C -1.429 174.513 176.300 -0.597 0.000 1.028 2362 M CA -1.165 54.048 55.300 -0.146 0.000 0.921 2362 M CB 1.687 34.330 32.600 0.071 0.000 1.601 2362 M HN 0.140 nan 8.290 nan 0.000 0.440 2363 F N 1.948 121.305 119.950 -0.988 0.000 2.685 2363 F HA 1.027 5.649 4.527 0.159 0.000 0.315 2363 F C -0.851 174.457 175.800 -0.819 0.000 1.126 2363 F CA -0.781 56.538 58.000 -1.135 0.000 0.950 2363 F CB 1.332 39.980 39.000 -0.587 0.000 1.360 2363 F HN 0.568 nan 8.300 nan 0.000 0.469 2364 G N 0.344 108.893 108.800 -0.419 0.000 2.659 2364 G HA2 0.627 4.684 3.960 0.161 0.000 0.296 2364 G HA3 0.627 4.684 3.960 0.161 0.000 0.296 2364 G C -2.757 172.098 174.900 -0.075 0.000 1.369 2364 G CA -0.847 44.069 45.100 -0.306 0.000 0.937 2364 G HN 0.891 nan 8.290 nan 0.000 0.485 2365 F N 1.537 121.179 119.950 -0.514 0.000 2.831 2365 F HA 0.684 5.294 4.527 0.137 0.000 0.346 2365 F C -1.835 173.612 175.800 -0.588 0.000 1.224 2365 F CA -1.685 56.093 58.000 -0.371 0.000 1.048 2365 F CB 1.086 39.944 39.000 -0.236 0.000 1.339 2365 F HN 0.318 nan 8.300 nan 0.000 0.514 2366 F N 5.414 124.903 119.950 -0.767 0.000 2.450 2366 F HA 0.438 5.061 4.527 0.161 0.000 0.332 2366 F C -0.263 175.009 175.800 -0.879 0.000 1.093 2366 F CA -0.716 56.865 58.000 -0.698 0.000 1.003 2366 F CB 1.265 40.009 39.000 -0.428 0.000 1.151 2366 F HN 0.290 nan 8.300 nan 0.000 0.474 2367 F N 1.946 121.717 119.950 -0.297 0.000 2.626 2367 F HA 0.331 4.924 4.527 0.110 0.000 0.353 2367 F C 0.462 176.174 175.800 -0.147 0.000 1.230 2367 F CA 0.010 57.852 58.000 -0.263 0.000 1.298 2367 F CB 0.198 39.114 39.000 -0.140 0.000 1.670 2367 F HN 0.381 nan 8.300 nan 0.000 0.633 2368 T N 0.004 114.543 114.554 -0.025 0.000 3.047 2368 T HA 0.100 4.546 4.350 0.161 0.000 0.340 2368 T C 0.650 175.304 174.700 -0.077 0.000 1.421 2368 T CA -0.651 61.425 62.100 -0.039 0.000 1.090 2368 T CB 1.007 69.822 68.868 -0.087 0.000 1.292 2368 T HN 0.606 nan 8.240 nan 0.000 0.480 2369 E N 2.419 122.588 120.200 -0.051 0.000 2.338 2369 E HA 0.319 4.766 4.350 0.161 0.000 0.197 2369 E C 1.308 177.859 176.600 -0.082 0.000 1.007 2369 E CA 0.465 56.834 56.400 -0.052 0.000 0.849 2369 E CB -0.345 29.338 29.700 -0.028 0.000 0.774 2369 E HN 1.186 nan 8.360 nan 0.000 0.506 2370 G N 1.810 110.541 108.800 -0.116 0.000 2.562 2370 G HA2 -0.275 3.781 3.960 0.161 0.000 0.250 2370 G HA3 -0.275 3.781 3.960 0.161 0.000 0.250 2370 G C -2.167 172.677 174.900 -0.093 0.000 1.269 2370 G CA -0.267 44.739 45.100 -0.156 0.000 0.919 2370 G HN 0.315 nan 8.290 nan 0.000 0.574 2371 P HA 0.465 nan 4.420 nan 0.000 0.271 2371 P C -0.289 176.863 177.300 -0.247 0.000 1.233 2371 P CA -0.410 62.601 63.100 -0.147 0.000 0.789 2371 P CB 0.849 32.557 31.700 0.014 0.000 0.951 2372 V N 1.872 121.520 119.914 -0.444 0.000 2.327 2372 V HA 0.149 4.365 4.120 0.161 0.000 0.272 2372 V C 0.062 175.862 176.094 -0.491 0.000 1.019 2372 V CA -0.046 61.967 62.300 -0.477 0.000 0.814 2372 V CB 0.242 31.609 31.823 -0.761 0.000 1.040 2372 V HN 0.614 nan 8.190 nan 0.000 0.440 2373 H N 2.109 121.083 119.070 -0.160 0.000 2.648 2373 H HA 0.257 4.911 4.556 0.163 0.000 0.265 2373 H C 0.709 175.997 175.328 -0.067 0.000 0.961 2373 H CA 0.298 56.277 56.048 -0.115 0.000 1.185 2373 H CB 0.524 30.215 29.762 -0.118 0.000 1.449 2373 H HN 0.775 nan 8.280 nan 0.000 0.523 2374 N N -2.554 116.157 118.700 0.018 0.000 3.039 2374 N HA -0.011 4.826 4.740 0.161 0.000 0.257 2374 N C 0.094 175.632 175.510 0.048 0.000 1.497 2374 N CA -0.885 52.203 53.050 0.064 0.000 0.861 2374 N CB 0.445 38.995 38.487 0.105 0.000 1.479 2374 N HN -0.145 nan 8.380 nan 0.000 0.547 2375 Y N -0.141 120.148 120.300 -0.019 0.000 2.165 2375 Y HA -0.101 4.543 4.550 0.157 0.000 0.286 2375 Y C 2.098 177.990 175.900 -0.013 0.000 1.155 2375 Y CA 2.313 60.403 58.100 -0.016 0.000 1.164 2375 Y CB -0.140 38.310 38.460 -0.015 0.000 0.978 2375 Y HN 0.833 nan 8.280 nan 0.000 0.513 2376 E N -0.228 119.942 120.200 -0.050 0.000 2.070 2376 E HA -0.262 4.185 4.350 0.161 0.000 0.197 2376 E C 1.677 178.179 176.600 -0.163 0.000 1.004 2376 E CA 1.795 58.114 56.400 -0.135 0.000 0.805 2376 E CB -0.140 29.543 29.700 -0.029 0.000 0.744 2376 E HN 0.507 nan 8.360 nan 0.000 0.451 2377 D N 0.159 120.482 120.400 -0.128 0.000 2.097 2377 D HA -0.157 4.579 4.640 0.161 0.000 0.195 2377 D C 1.872 178.021 176.300 -0.252 0.000 0.989 2377 D CA 1.424 55.322 54.000 -0.169 0.000 0.827 2377 D CB -0.512 40.184 40.800 -0.173 0.000 0.966 2377 D HN 0.320 nan 8.370 nan 0.000 0.456 2378 A N 1.169 123.820 122.820 -0.282 0.000 1.948 2378 A HA -0.226 4.190 4.320 0.161 0.000 0.220 2378 A C 1.953 179.528 177.584 -0.015 0.000 1.177 2378 A CA 1.485 53.361 52.037 -0.269 0.000 0.636 2378 A CB -0.506 18.510 19.000 0.026 0.000 0.815 2378 A HN 0.163 nan 8.150 nan 0.000 0.449 2379 K N -0.344 120.004 120.400 -0.085 0.000 2.574 2379 K HA -0.050 4.366 4.320 0.161 0.000 0.193 2379 K C 1.262 177.857 176.600 -0.009 0.000 1.035 2379 K CA 0.870 57.148 56.287 -0.015 0.000 0.982 2379 K CB -0.058 32.245 32.500 -0.327 0.000 0.795 2379 K HN 0.460 nan 8.250 nan 0.000 0.491 2380 K N 0.532 120.892 120.400 -0.066 0.000 2.459 2380 K HA 0.062 4.478 4.320 0.161 0.000 0.193 2380 K C 0.258 176.839 176.600 -0.032 0.000 1.030 2380 K CA -0.013 56.242 56.287 -0.053 0.000 1.026 2380 K CB 0.393 32.846 32.500 -0.079 0.000 0.809 2380 K HN -0.046 nan 8.250 nan 0.000 0.504 2381 S N 1.866 117.544 115.700 -0.036 0.000 2.568 2381 S HA -0.056 4.510 4.470 0.161 0.000 0.282 2381 S C 0.046 174.664 174.600 0.031 0.000 1.338 2381 S CA -0.287 57.903 58.200 -0.016 0.000 1.045 2381 S CB 0.592 63.743 63.200 -0.082 0.000 0.873 2381 S HN 0.160 nan 8.310 nan 0.000 0.516 2382 D N 1.833 122.278 120.400 0.076 0.000 2.435 2382 D HA 0.135 4.871 4.640 0.161 0.000 0.230 2382 D C 0.695 177.058 176.300 0.105 0.000 1.215 2382 D CA -0.372 53.668 54.000 0.067 0.000 0.947 2382 D CB 0.118 40.937 40.800 0.032 0.000 1.048 2382 D HN 0.238 nan 8.370 nan 0.000 0.512 2383 L N 3.056 124.339 121.223 0.100 0.000 2.131 2383 L HA -0.181 4.256 4.340 0.161 0.000 0.210 2383 L C 2.438 179.403 176.870 0.158 0.000 1.092 2383 L CA 1.455 56.381 54.840 0.144 0.000 0.759 2383 L CB -0.549 41.594 42.059 0.139 0.000 0.903 2383 L HN 0.447 nan 8.230 nan 0.000 0.435 2384 Q N -0.539 119.315 119.800 0.091 0.000 2.079 2384 Q HA -0.245 4.191 4.340 0.161 0.000 0.200 2384 Q C 2.270 178.285 176.000 0.025 0.000 0.974 2384 Q CA 1.558 57.397 55.803 0.059 0.000 0.840 2384 Q CB -0.186 28.571 28.738 0.032 0.000 0.898 2384 Q HN 0.449 nan 8.270 nan 0.000 0.430 2385 K N 0.273 120.650 120.400 -0.038 0.000 2.057 2385 K HA -0.170 4.246 4.320 0.161 0.000 0.206 2385 K C 1.869 178.369 176.600 -0.167 0.000 1.050 2385 K CA 0.993 57.138 56.287 -0.236 0.000 0.935 2385 K CB -0.154 32.050 32.500 -0.493 0.000 0.715 2385 K HN 0.085 nan 8.250 nan 0.000 0.439 2386 F N 1.255 121.209 119.950 0.008 0.000 2.134 2386 F HA -0.199 4.368 4.527 0.067 0.000 0.299 2386 F C 2.537 178.491 175.800 0.257 0.000 1.097 2386 F CA 1.765 59.959 58.000 0.324 0.000 1.264 2386 F CB -0.666 38.487 39.000 0.255 0.000 1.001 2386 F HN 0.069 nan 8.300 nan 0.000 0.479 2387 S N 0.236 116.030 115.700 0.156 0.000 2.359 2387 S HA -0.213 4.353 4.470 0.161 0.000 0.224 2387 S C 2.276 176.883 174.600 0.013 0.000 1.035 2387 S CA 1.527 59.764 58.200 0.061 0.000 1.018 2387 S CB -0.327 62.932 63.200 0.099 0.000 0.876 2387 S HN 0.469 nan 8.310 nan 0.000 0.448 2388 R N -0.755 119.753 120.500 0.012 0.000 2.096 2388 R HA -0.047 4.389 4.340 0.161 0.000 0.235 2388 R C 2.133 178.427 176.300 -0.010 0.000 1.127 2388 R CA 1.553 57.652 56.100 -0.002 0.000 0.968 2388 R CB -0.586 29.703 30.300 -0.019 0.000 0.861 2388 R HN 0.544 nan 8.270 nan 0.000 0.440 2389 F N 1.417 121.261 119.950 -0.178 0.000 2.102 2389 F HA -0.235 4.347 4.527 0.092 0.000 0.298 2389 F C 2.484 178.157 175.800 -0.212 0.000 1.105 2389 F CA 1.662 59.572 58.000 -0.151 0.000 1.239 2389 F CB -0.616 38.408 39.000 0.040 0.000 0.991 2389 F HN 0.077 nan 8.300 nan 0.000 0.474 2390 H N 0.129 118.874 119.070 -0.542 0.000 2.319 2390 H HA -0.182 4.459 4.556 0.141 0.000 0.299 2390 H C 2.411 177.507 175.328 -0.387 0.000 1.092 2390 H CA 2.038 57.706 56.048 -0.633 0.000 1.302 2390 H CB -0.130 29.265 29.762 -0.612 0.000 1.373 2390 H HN 0.128 nan 8.280 nan 0.000 0.497 2391 R N 0.320 120.743 120.500 -0.128 0.000 2.081 2391 R HA -0.052 4.384 4.340 0.161 0.000 0.235 2391 R C 2.744 178.926 176.300 -0.198 0.000 1.131 2391 R CA 1.479 57.541 56.100 -0.064 0.000 0.960 2391 R CB -1.133 29.198 30.300 0.052 0.000 0.856 2391 R HN 0.450 nan 8.270 nan 0.000 0.436 2392 G N -0.206 108.466 108.800 -0.214 0.000 2.422 2392 G HA2 -0.230 3.827 3.960 0.161 0.000 0.218 2392 G HA3 -0.230 3.827 3.960 0.161 0.000 0.218 2392 G C 1.284 175.988 174.900 -0.327 0.000 1.146 2392 G CA 0.831 45.800 45.100 -0.218 0.000 0.769 2392 G HN 0.181 nan 8.290 nan 0.000 0.547 2393 M N -0.238 119.065 119.600 -0.494 0.000 2.175 2393 M HA 0.088 4.665 4.480 0.161 0.000 0.264 2393 M C 2.471 178.543 176.300 -0.380 0.000 1.063 2393 M CA 0.660 55.658 55.300 -0.504 0.000 1.119 2393 M CB -0.995 31.143 32.600 -0.769 0.000 1.377 2393 M HN 0.196 nan 8.290 nan 0.000 0.415 2394 L N 0.744 121.713 121.223 -0.423 0.000 2.012 2394 L HA -0.181 4.255 4.340 0.161 0.000 0.210 2394 L C 2.149 178.660 176.870 -0.599 0.000 1.073 2394 L CA 1.908 56.576 54.840 -0.286 0.000 0.748 2394 L CB -0.766 41.174 42.059 -0.199 0.000 0.891 2394 L HN 0.349 nan 8.230 nan 0.000 0.431 2395 E N -1.343 118.387 120.200 -0.784 0.000 2.204 2395 E HA -0.200 4.247 4.350 0.161 0.000 0.195 2395 E C 1.605 177.919 176.600 -0.476 0.000 0.990 2395 E CA 0.638 56.491 56.400 -0.912 0.000 0.821 2395 E CB -0.030 29.401 29.700 -0.449 0.000 0.750 2395 E HN 0.458 nan 8.360 nan 0.000 0.477 2396 Q N -0.493 119.108 119.800 -0.333 0.000 2.365 2396 Q HA 0.085 4.521 4.340 0.161 0.000 0.203 2396 Q C 0.785 176.670 176.000 -0.192 0.000 0.929 2396 Q CA 0.628 56.302 55.803 -0.214 0.000 0.948 2396 Q CB 0.957 29.592 28.738 -0.171 0.000 1.043 2396 Q HN 0.388 nan 8.270 nan 0.000 0.505 2397 G N 1.165 109.824 108.800 -0.234 0.000 2.182 2397 G HA2 -0.195 3.862 3.960 0.161 0.000 0.248 2397 G HA3 -0.195 3.862 3.960 0.161 0.000 0.248 2397 G C -0.100 174.805 174.900 0.008 0.000 1.042 2397 G CA -0.155 44.815 45.100 -0.216 0.000 0.775 2397 G HN 0.226 nan 8.290 nan 0.000 0.501 2398 I N -0.198 120.434 120.570 0.104 0.000 2.466 2398 I HA 0.398 4.665 4.170 0.161 0.000 0.289 2398 I C -0.607 175.611 176.117 0.169 0.000 1.026 2398 I CA -1.716 59.678 61.300 0.155 0.000 1.078 2398 I CB 1.734 39.748 38.000 0.022 0.000 1.249 2398 I HN 0.136 nan 8.210 nan 0.000 0.429 2399 Y N 6.941 127.297 120.300 0.093 0.000 2.417 2399 Y HA 0.583 5.247 4.550 0.190 0.000 0.336 2399 Y C -0.831 175.118 175.900 0.082 0.000 0.961 2399 Y CA -0.351 57.725 58.100 -0.039 0.000 1.215 2399 Y CB 0.929 39.328 38.460 -0.103 0.000 1.120 2399 Y HN 0.424 nan 8.280 nan 0.000 0.499 2400 L N 4.506 125.533 121.223 -0.327 0.000 2.332 2400 L HA 0.745 5.181 4.340 0.161 0.000 0.269 2400 L C 0.271 177.029 176.870 -0.187 0.000 1.016 2400 L CA -1.578 53.194 54.840 -0.114 0.000 0.809 2400 L CB 1.223 43.253 42.059 -0.050 0.000 1.280 2400 L HN 0.663 nan 8.230 nan 0.000 0.447 2401 A N 2.013 124.794 122.820 -0.065 0.000 2.546 2401 A HA 0.189 4.606 4.320 0.161 0.000 0.243 2401 A C -1.833 175.725 177.584 -0.043 0.000 1.063 2401 A CA -0.729 51.276 52.037 -0.053 0.000 0.757 2401 A CB -0.514 18.535 19.000 0.083 0.000 0.991 2401 A HN 0.526 nan 8.150 nan 0.000 0.503 2402 P HA 0.072 nan 4.420 nan 0.000 0.269 2402 P C -0.249 176.845 177.300 -0.343 0.000 1.601 2402 P CA 0.583 63.163 63.100 -0.866 0.000 0.831 2402 P CB -0.177 30.673 31.700 -1.418 0.000 1.688 2403 S N -0.050 115.641 115.700 -0.015 0.000 2.542 2403 S HA 0.205 4.772 4.470 0.161 0.000 0.276 2403 S C 0.630 174.960 174.600 -0.451 0.000 1.148 2403 S CA -0.424 57.747 58.200 -0.047 0.000 0.886 2403 S CB 1.726 64.930 63.200 0.008 0.000 1.109 2403 S HN -0.088 nan 8.310 nan 0.000 0.458 2404 Q N 2.647 121.858 119.800 -0.981 0.000 2.297 2404 Q HA 0.222 4.658 4.340 0.161 0.000 0.204 2404 Q C -0.013 175.324 176.000 -1.105 0.000 0.962 2404 Q CA 1.751 56.530 55.803 -1.706 0.000 0.879 2404 Q CB -0.249 27.579 28.738 -1.516 0.000 0.947 2404 Q HN 0.737 nan 8.270 nan 0.000 0.462 2405 F N 1.097 120.876 119.950 -0.286 0.000 2.898 2405 F HA 0.376 5.009 4.527 0.177 0.000 0.290 2405 F C -0.114 175.629 175.800 -0.096 0.000 1.195 2405 F CA -0.308 57.634 58.000 -0.097 0.000 1.387 2405 F CB 0.380 39.393 39.000 0.022 0.000 0.976 2405 F HN -0.151 nan 8.300 nan 0.000 0.510 2406 E N 0.848 120.998 120.200 -0.083 0.000 2.275 2406 E HA 0.560 5.007 4.350 0.161 0.000 0.270 2406 E C -0.478 176.025 176.600 -0.163 0.000 0.882 2406 E CA -0.599 55.810 56.400 0.015 0.000 0.758 2406 E CB 2.230 32.059 29.700 0.215 0.000 1.195 2406 E HN 0.118 nan 8.360 nan 0.000 0.419 2407 A N 1.922 124.635 122.820 -0.177 0.000 2.346 2407 A HA 0.659 5.075 4.320 0.161 0.000 0.252 2407 A C 0.607 177.670 177.584 -0.870 0.000 1.089 2407 A CA 0.359 52.100 52.037 -0.494 0.000 0.797 2407 A CB 0.401 19.188 19.000 -0.355 0.000 1.047 2407 A HN 0.518 nan 8.150 nan 0.000 0.494 2408 G N -1.202 106.749 108.800 -1.415 0.000 2.461 2408 G HA2 0.634 4.691 3.960 0.161 0.000 0.329 2408 G HA3 0.634 4.691 3.960 0.161 0.000 0.329 2408 G C -1.013 173.085 174.900 -1.336 0.000 1.170 2408 G CA -0.521 43.678 45.100 -1.503 0.000 0.935 2408 G HN 0.460 nan 8.290 nan 0.000 0.492 2409 F N -0.584 119.342 119.950 -0.039 0.000 2.588 2409 F HA 0.603 5.227 4.527 0.161 0.000 0.310 2409 F C 0.607 176.523 175.800 0.194 0.000 1.082 2409 F CA -0.736 57.336 58.000 0.120 0.000 0.929 2409 F CB 2.816 41.835 39.000 0.033 0.000 1.254 2409 F HN 0.642 nan 8.300 nan 0.000 0.455 2410 T N -1.658 113.033 114.554 0.228 0.000 2.940 2410 T HA 0.859 5.306 4.350 0.161 0.000 0.288 2410 T C -0.477 174.164 174.700 -0.098 0.000 1.045 2410 T CA -0.767 61.214 62.100 -0.197 0.000 1.018 2410 T CB 1.769 70.512 68.868 -0.207 0.000 1.151 2410 T HN 0.760 nan 8.240 nan 0.000 0.529 2411 S N -0.223 115.420 115.700 -0.095 0.000 2.661 2411 S HA 0.499 5.066 4.470 0.161 0.000 0.285 2411 S C 0.797 175.520 174.600 0.205 0.000 1.138 2411 S CA -1.149 57.120 58.200 0.116 0.000 0.855 2411 S CB 0.787 64.065 63.200 0.130 0.000 1.136 2411 S HN 0.636 nan 8.310 nan 0.000 0.484 2412 L N 0.617 121.932 121.223 0.153 0.000 2.265 2412 L HA 0.017 4.453 4.340 0.161 0.000 0.215 2412 L C 2.721 179.679 176.870 0.146 0.000 1.117 2412 L CA 1.396 56.346 54.840 0.182 0.000 0.782 2412 L CB -0.805 41.289 42.059 0.059 0.000 0.914 2412 L HN 0.923 nan 8.230 nan 0.000 0.441 2413 A N -1.586 121.293 122.820 0.098 0.000 2.067 2413 A HA -0.073 4.343 4.320 0.161 0.000 0.217 2413 A C 0.491 178.037 177.584 -0.065 0.000 1.156 2413 A CA 0.214 52.234 52.037 -0.029 0.000 0.683 2413 A CB -0.588 18.332 19.000 -0.134 0.000 0.808 2413 A HN 0.330 nan 8.150 nan 0.000 0.455 2414 H N 1.467 120.516 119.070 -0.034 0.000 3.091 2414 H HA 0.276 4.928 4.556 0.159 0.000 0.289 2414 H C 1.068 176.460 175.328 0.107 0.000 0.995 2414 H CA 0.966 56.992 56.048 -0.037 0.000 1.461 2414 H CB 0.420 30.163 29.762 -0.031 0.000 1.510 2414 H HN 0.401 nan 8.280 nan 0.000 0.546 2415 T N -0.263 114.365 114.554 0.122 0.000 2.847 2415 T HA 0.095 4.541 4.350 0.161 0.000 0.279 2415 T C 1.384 176.180 174.700 0.160 0.000 0.984 2415 T CA -0.878 61.320 62.100 0.164 0.000 0.988 2415 T CB 1.243 70.166 68.868 0.091 0.000 1.040 2415 T HN 0.543 nan 8.240 nan 0.000 0.528 2416 E N 0.171 120.461 120.200 0.149 0.000 2.153 2416 E HA -0.072 4.374 4.350 0.161 0.000 0.194 2416 E C 1.955 178.595 176.600 0.067 0.000 0.988 2416 E CA 1.209 57.664 56.400 0.092 0.000 0.811 2416 E CB -0.251 29.500 29.700 0.085 0.000 0.746 2416 E HN 0.777 nan 8.360 nan 0.000 0.466 2417 E N 0.417 120.661 120.200 0.072 0.000 2.072 2417 E HA -0.152 4.295 4.350 0.161 0.000 0.191 2417 E C 1.656 178.299 176.600 0.072 0.000 0.985 2417 E CA 1.335 57.771 56.400 0.059 0.000 0.801 2417 E CB -0.167 29.567 29.700 0.057 0.000 0.750 2417 E HN 0.270 nan 8.360 nan 0.000 0.452 2418 D N 0.270 120.731 120.400 0.102 0.000 2.116 2418 D HA -0.167 4.570 4.640 0.161 0.000 0.193 2418 D C 1.855 178.246 176.300 0.153 0.000 0.998 2418 D CA 0.894 54.975 54.000 0.135 0.000 0.836 2418 D CB -0.155 40.712 40.800 0.112 0.000 0.951 2418 D HN 0.125 nan 8.370 nan 0.000 0.449 2419 I N 1.604 122.252 120.570 0.130 0.000 2.226 2419 I HA -0.203 4.064 4.170 0.161 0.000 0.245 2419 I C 1.870 177.995 176.117 0.013 0.000 1.100 2419 I CA 1.194 62.535 61.300 0.069 0.000 1.374 2419 I CB -0.980 37.018 38.000 -0.003 0.000 1.057 2419 I HN -0.025 nan 8.210 nan 0.000 0.413 2420 D N 1.155 121.564 120.400 0.016 0.000 2.104 2420 D HA -0.141 4.596 4.640 0.161 0.000 0.194 2420 D C 2.262 178.560 176.300 -0.002 0.000 0.994 2420 D CA 1.736 55.734 54.000 -0.002 0.000 0.830 2420 D CB -0.003 40.800 40.800 0.005 0.000 0.959 2420 D HN 0.317 nan 8.370 nan 0.000 0.452 2421 A N 0.391 123.222 122.820 0.018 0.000 1.933 2421 A HA -0.149 4.268 4.320 0.161 0.000 0.218 2421 A C 2.379 179.968 177.584 0.007 0.000 1.175 2421 A CA 2.031 54.074 52.037 0.010 0.000 0.628 2421 A CB -0.805 18.207 19.000 0.020 0.000 0.814 2421 A HN 0.212 nan 8.150 nan 0.000 0.444 2422 T N 0.437 115.013 114.554 0.035 0.000 2.777 2422 T HA -0.054 4.392 4.350 0.161 0.000 0.266 2422 T C 1.795 176.452 174.700 -0.071 0.000 1.040 2422 T CA 1.408 63.515 62.100 0.011 0.000 1.141 2422 T CB -0.334 68.562 68.868 0.048 0.000 0.868 2422 T HN 0.368 nan 8.240 nan 0.000 0.444 2423 L N 0.698 121.873 121.223 -0.080 0.000 2.056 2423 L HA -0.020 4.417 4.340 0.161 0.000 0.207 2423 L C 3.071 179.907 176.870 -0.057 0.000 1.078 2423 L CA 1.050 55.833 54.840 -0.094 0.000 0.749 2423 L CB -0.681 41.322 42.059 -0.093 0.000 0.901 2423 L HN 0.236 nan 8.230 nan 0.000 0.433 2424 A N 0.226 123.022 122.820 -0.040 0.000 1.908 2424 A HA -0.210 4.207 4.320 0.161 0.000 0.218 2424 A C 2.545 180.111 177.584 -0.030 0.000 1.181 2424 A CA 1.859 53.879 52.037 -0.029 0.000 0.627 2424 A CB -0.731 18.255 19.000 -0.024 0.000 0.818 2424 A HN 0.403 nan 8.150 nan 0.000 0.445 2425 A N -0.126 122.669 122.820 -0.041 0.000 1.877 2425 A HA 0.126 4.543 4.320 0.161 0.000 0.216 2425 A C 2.541 180.102 177.584 -0.039 0.000 1.186 2425 A CA 2.284 54.287 52.037 -0.056 0.000 0.620 2425 A CB -1.134 17.819 19.000 -0.079 0.000 0.822 2425 A HN 1.127 nan 8.150 nan 0.000 0.443 2426 A N -0.200 122.605 122.820 -0.026 0.000 1.883 2426 A HA -0.208 4.208 4.320 0.161 0.000 0.217 2426 A C 2.190 179.823 177.584 0.081 0.000 1.186 2426 A CA 2.238 54.314 52.037 0.065 0.000 0.624 2426 A CB -0.511 18.489 19.000 -0.000 0.000 0.822 2426 A HN 0.537 nan 8.150 nan 0.000 0.444 2427 R N -0.620 119.896 120.500 0.026 0.000 2.094 2427 R HA -0.123 4.313 4.340 0.161 0.000 0.239 2427 R C 2.221 178.548 176.300 0.045 0.000 1.137 2427 R CA 2.558 58.678 56.100 0.033 0.000 0.943 2427 R CB -1.098 29.208 30.300 0.010 0.000 0.850 2427 R HN 0.471 nan 8.270 nan 0.000 0.433 2428 T N -0.061 114.506 114.554 0.023 0.000 2.684 2428 T HA -0.124 4.323 4.350 0.161 0.000 0.267 2428 T C 1.802 176.522 174.700 0.033 0.000 1.036 2428 T CA 1.670 63.779 62.100 0.016 0.000 1.148 2428 T CB -0.282 68.579 68.868 -0.012 0.000 0.863 2428 T HN 0.052 nan 8.240 nan 0.000 0.436 2429 V N 1.532 121.472 119.914 0.042 0.000 2.261 2429 V HA -0.175 4.042 4.120 0.161 0.000 0.246 2429 V C 2.525 178.698 176.094 0.133 0.000 1.047 2429 V CA 1.746 64.089 62.300 0.070 0.000 1.015 2429 V CB -0.621 31.236 31.823 0.057 0.000 0.642 2429 V HN 0.470 nan 8.190 nan 0.000 0.446 2430 M N -0.199 119.510 119.600 0.181 0.000 2.213 2430 M HA -0.141 4.436 4.480 0.161 0.000 0.263 2430 M C 2.326 178.739 176.300 0.188 0.000 1.062 2430 M CA 1.519 56.902 55.300 0.138 0.000 1.105 2430 M CB -0.458 32.235 32.600 0.155 0.000 1.385 2430 M HN 0.316 nan 8.290 nan 0.000 0.417 2431 S N 0.443 116.225 115.700 0.136 0.000 2.447 2431 S HA -0.016 4.551 4.470 0.161 0.000 0.233 2431 S C 1.825 176.485 174.600 0.100 0.000 1.006 2431 S CA 1.158 59.425 58.200 0.113 0.000 0.957 2431 S CB -0.156 63.084 63.200 0.067 0.000 0.773 2431 S HN 0.560 nan 8.310 nan 0.000 0.507 2432 A N 0.289 123.162 122.820 0.088 0.000 2.195 2432 A HA 0.394 4.810 4.320 0.161 0.000 0.210 2432 A C 0.903 178.529 177.584 0.070 0.000 1.165 2432 A CA -0.074 52.000 52.037 0.063 0.000 0.806 2432 A CB -0.055 18.967 19.000 0.037 0.000 0.847 2432 A HN 0.337 nan 8.150 nan 0.000 0.482 2433 L N 0.000 121.279 121.223 0.093 0.000 2.949 2433 L HA 0.000 4.437 4.340 0.161 0.000 0.249 2433 L CA 0.000 54.877 54.840 0.062 0.000 0.813 2433 L CB 0.000 41.948 42.059 -0.185 0.000 0.961 2433 L HN 0.000 nan 8.230 nan 0.000 0.502