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 3fq8_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 FLVKAGSGVA TLGLPSSPGV PKKTTANTLT TPYNDLEAVK ALFAENPGEI DATA SEQUENCE AGVILEPIVG NSGFIVPDAG FLEGLREITL EHDALLVFDE VITGFRIAYG 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 0.000 175.814 175.800 0.023 0.000 0.967 2007 F CA 0.000 58.003 58.000 0.005 0.000 1.383 2007 F CB 0.000 39.008 39.000 0.014 0.000 1.145 2008 K N 3.067 123.262 120.400 -0.343 0.000 2.156 2008 K HA 0.637 4.957 4.320 -0.001 0.000 0.271 2008 K C -0.288 176.042 176.600 -0.449 0.000 0.995 2008 K CA 0.004 56.117 56.287 -0.290 0.000 0.890 2008 K CB 1.505 33.918 32.500 -0.144 0.000 1.073 2008 K HN 0.665 nan 8.250 nan 0.000 0.454 2009 T N 0.787 115.167 114.554 -0.290 0.000 3.337 2009 T HA 0.190 4.539 4.350 -0.001 0.000 0.299 2009 T C 1.334 175.984 174.700 -0.084 0.000 0.998 2009 T CA -0.526 61.444 62.100 -0.215 0.000 0.948 2009 T CB -0.221 68.544 68.868 -0.170 0.000 1.170 2009 T HN 0.419 nan 8.240 nan 0.000 0.508 2010 I N 1.827 122.355 120.570 -0.069 0.000 2.151 2010 I HA -0.138 4.032 4.170 -0.001 0.000 0.243 2010 I C 2.433 178.546 176.117 -0.007 0.000 1.080 2010 I CA 1.357 62.642 61.300 -0.025 0.000 1.339 2010 I CB -0.966 37.020 38.000 -0.024 0.000 1.039 2010 I HN 0.286 nan 8.210 nan 0.000 0.409 2011 K N 0.838 121.230 120.400 -0.013 0.000 2.057 2011 K HA -0.079 4.241 4.320 -0.001 0.000 0.207 2011 K C 2.318 178.934 176.600 0.026 0.000 1.049 2011 K CA 1.262 57.553 56.287 0.007 0.000 0.931 2011 K CB -0.592 31.911 32.500 0.005 0.000 0.714 2011 K HN 0.245 nan 8.250 nan 0.000 0.440 2012 S N 1.775 117.485 115.700 0.018 0.000 2.348 2012 S HA -0.138 4.331 4.470 -0.001 0.000 0.221 2012 S C 1.495 176.139 174.600 0.073 0.000 1.033 2012 S CA 1.532 59.752 58.200 0.033 0.000 1.010 2012 S CB -0.285 62.913 63.200 -0.004 0.000 0.891 2012 S HN 0.272 nan 8.310 nan 0.000 0.442 2013 D N 0.983 121.420 120.400 0.062 0.000 2.123 2013 D HA -0.128 4.511 4.640 -0.001 0.000 0.196 2013 D C 1.934 178.305 176.300 0.117 0.000 0.992 2013 D CA 0.982 55.049 54.000 0.112 0.000 0.833 2013 D CB -0.358 40.487 40.800 0.075 0.000 0.954 2013 D HN 0.506 nan 8.370 nan 0.000 0.455 2014 E N 0.087 120.330 120.200 0.071 0.000 2.031 2014 E HA -0.123 4.227 4.350 -0.001 0.000 0.193 2014 E C 2.357 178.991 176.600 0.057 0.000 0.994 2014 E CA 0.583 57.013 56.400 0.050 0.000 0.800 2014 E CB -0.041 29.677 29.700 0.031 0.000 0.752 2014 E HN 0.222 nan 8.360 nan 0.000 0.447 2015 I N 0.349 120.964 120.570 0.074 0.000 2.226 2015 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 2015 I C 2.263 178.449 176.117 0.116 0.000 1.100 2015 I CA 0.733 62.080 61.300 0.078 0.000 1.374 2015 I CB -0.240 37.809 38.000 0.081 0.000 1.057 2015 I HN 0.175 nan 8.210 nan 0.000 0.413 2016 F N 1.850 121.794 119.950 -0.011 0.000 2.146 2016 F HA -0.145 4.382 4.527 -0.001 0.000 0.298 2016 F C 2.459 178.255 175.800 -0.006 0.000 1.096 2016 F CA 1.139 59.129 58.000 -0.016 0.000 1.275 2016 F CB -0.480 38.501 39.000 -0.032 0.000 1.008 2016 F HN -0.008 nan 8.300 nan 0.000 0.480 2017 A N 0.442 123.221 122.820 -0.067 0.000 1.908 2017 A HA -0.082 4.238 4.320 -0.001 0.000 0.218 2017 A C 2.441 179.928 177.584 -0.161 0.000 1.181 2017 A CA 1.956 53.897 52.037 -0.160 0.000 0.627 2017 A CB -1.573 17.406 19.000 -0.034 0.000 0.818 2017 A HN 0.480 nan 8.150 nan 0.000 0.445 2018 A N -0.275 122.494 122.820 -0.084 0.000 1.930 2018 A HA 0.197 4.517 4.320 -0.001 0.000 0.217 2018 A C 2.480 180.009 177.584 -0.092 0.000 1.175 2018 A CA 1.936 53.933 52.037 -0.066 0.000 0.627 2018 A CB -0.943 18.042 19.000 -0.025 0.000 0.815 2018 A HN 1.060 nan 8.150 nan 0.000 0.443 2019 A N -0.551 122.202 122.820 -0.112 0.000 1.933 2019 A HA -0.227 4.092 4.320 -0.001 0.000 0.218 2019 A C 2.036 179.518 177.584 -0.170 0.000 1.175 2019 A CA 1.623 53.596 52.037 -0.106 0.000 0.628 2019 A CB -0.591 18.381 19.000 -0.047 0.000 0.814 2019 A HN 0.645 nan 8.150 nan 0.000 0.444 2020 Q N -0.555 119.056 119.800 -0.315 0.000 2.364 2020 Q HA -0.124 4.215 4.340 -0.001 0.000 0.209 2020 Q C 1.374 177.283 176.000 -0.152 0.000 0.977 2020 Q CA 1.326 56.957 55.803 -0.286 0.000 0.885 2020 Q CB -0.101 28.394 28.738 -0.405 0.000 0.941 2020 Q HN 0.661 nan 8.270 nan 0.000 0.464 2021 K N -0.495 119.833 120.400 -0.120 0.000 2.367 2021 K HA 0.108 4.427 4.320 -0.001 0.000 0.194 2021 K C 1.312 177.880 176.600 -0.053 0.000 1.027 2021 K CA 0.242 56.485 56.287 -0.074 0.000 1.075 2021 K CB 0.620 33.083 32.500 -0.062 0.000 0.845 2021 K HN 0.139 nan 8.250 nan 0.000 0.529 2022 L N -0.458 120.733 121.223 -0.054 0.000 2.577 2022 L HA 0.295 4.634 4.340 -0.001 0.000 0.225 2022 L C 0.576 177.430 176.870 -0.026 0.000 1.053 2022 L CA 0.092 54.913 54.840 -0.033 0.000 0.866 2022 L CB 0.322 42.366 42.059 -0.025 0.000 1.132 2022 L HN 0.042 nan 8.230 nan 0.000 0.486 2023 M N -0.480 119.100 119.600 -0.033 0.000 2.572 2023 M HA 0.426 4.905 4.480 -0.001 0.000 0.299 2023 M C -2.610 173.675 176.300 -0.024 0.000 1.205 2023 M CA -1.824 53.465 55.300 -0.019 0.000 0.876 2023 M CB 2.071 34.669 32.600 -0.003 0.000 1.728 2023 M HN -0.383 nan 8.290 nan 0.000 0.458 2024 P HA 0.068 nan 4.420 nan 0.000 0.257 2024 P C 0.774 178.078 177.300 0.005 0.000 1.189 2024 P CA 1.198 64.293 63.100 -0.008 0.000 0.780 2024 P CB 0.110 31.808 31.700 -0.004 0.000 0.772 2025 G N 3.616 112.412 108.800 -0.005 0.000 2.168 2025 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.263 2025 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.263 2025 G C 0.909 175.820 174.900 0.017 0.000 0.977 2025 G CA 0.451 45.566 45.100 0.026 0.000 0.659 2025 G HN 1.005 nan 8.290 nan 0.000 0.533 2026 G N -2.393 106.375 108.800 -0.053 0.000 2.179 2026 G HA2 0.125 4.085 3.960 -0.001 0.000 0.257 2026 G HA3 0.125 4.085 3.960 -0.001 0.000 0.257 2026 G C 0.821 175.797 174.900 0.127 0.000 1.010 2026 G CA 1.606 46.658 45.100 -0.081 0.000 0.736 2026 G HN 2.403 nan 8.290 nan 0.000 0.513 2027 V N -4.887 115.099 119.914 0.121 0.000 3.160 2027 V HA 0.912 5.032 4.120 -0.001 0.000 0.310 2027 V C 0.763 176.895 176.094 0.063 0.000 1.181 2027 V CA 0.268 62.642 62.300 0.125 0.000 1.047 2027 V CB 1.505 33.419 31.823 0.151 0.000 1.068 2027 V HN 0.229 nan 8.190 nan 0.000 0.441 2028 S N 0.261 115.991 115.700 0.050 0.000 2.517 2028 S HA 0.325 4.794 4.470 -0.001 0.000 0.214 2028 S C 0.637 175.244 174.600 0.012 0.000 0.991 2028 S CA 0.770 58.987 58.200 0.029 0.000 0.906 2028 S CB 0.137 63.357 63.200 0.032 0.000 0.789 2028 S HN 0.983 nan 8.310 nan 0.000 0.513 2029 S N 0.338 116.041 115.700 0.005 0.000 2.603 2029 S HA 0.418 4.887 4.470 -0.001 0.000 0.274 2029 S C -2.417 172.164 174.600 -0.032 0.000 1.168 2029 S CA -1.399 56.779 58.200 -0.037 0.000 0.963 2029 S CB 1.371 64.516 63.200 -0.091 0.000 1.078 2029 S HN -0.180 nan 8.310 nan 0.000 0.477 2030 P HA -0.183 nan 4.420 nan 0.000 0.218 2030 P C 1.555 178.850 177.300 -0.009 0.000 1.165 2030 P CA 1.172 64.259 63.100 -0.022 0.000 0.922 2030 P CB 0.047 31.714 31.700 -0.055 0.000 0.794 2031 V N -0.037 119.824 119.914 -0.088 0.000 2.546 2031 V HA -0.291 3.829 4.120 -0.001 0.000 0.254 2031 V C 2.067 178.228 176.094 0.112 0.000 1.076 2031 V CA 1.878 64.144 62.300 -0.057 0.000 1.087 2031 V CB -0.811 30.843 31.823 -0.283 0.000 0.674 2031 V HN 0.095 nan 8.190 nan 0.000 0.470 2032 R N 0.078 120.649 120.500 0.117 0.000 2.280 2032 R HA 0.113 4.452 4.340 -0.001 0.000 0.207 2032 R C 2.075 178.497 176.300 0.203 0.000 1.043 2032 R CA 0.927 57.160 56.100 0.222 0.000 1.006 2032 R CB -0.393 29.986 30.300 0.132 0.000 0.885 2032 R HN 0.573 nan 8.270 nan 0.000 0.467 2033 A N 0.383 123.316 122.820 0.188 0.000 2.235 2033 A HA -0.011 4.309 4.320 -0.001 0.000 0.208 2033 A C 0.224 177.941 177.584 0.222 0.000 1.172 2033 A CA 0.105 52.242 52.037 0.168 0.000 0.786 2033 A CB -0.341 18.802 19.000 0.239 0.000 0.804 2033 A HN 0.365 nan 8.150 nan 0.000 0.479 2034 F N -1.491 118.441 119.950 -0.029 0.000 3.048 2034 F HA -0.285 4.241 4.527 -0.001 0.000 0.287 2034 F C 1.543 177.342 175.800 -0.002 0.000 0.796 2034 F CA 0.919 58.894 58.000 -0.042 0.000 1.111 2034 F CB -1.869 37.077 39.000 -0.089 0.000 1.320 2034 F HN 0.336 nan 8.300 nan 0.000 0.430 2035 K N 0.144 120.651 120.400 0.180 0.000 2.113 2035 K HA -0.218 4.102 4.320 -0.001 0.000 0.208 2035 K C 2.067 178.725 176.600 0.096 0.000 1.047 2035 K CA 1.833 58.200 56.287 0.134 0.000 0.928 2035 K CB -0.253 32.316 32.500 0.115 0.000 0.716 2035 K HN 0.482 nan 8.250 nan 0.000 0.446 2036 S N -0.359 115.383 115.700 0.070 0.000 2.603 2036 S HA -0.010 4.460 4.470 -0.001 0.000 0.220 2036 S C 1.003 175.632 174.600 0.049 0.000 0.967 2036 S CA 0.133 58.376 58.200 0.071 0.000 0.920 2036 S CB 0.769 64.022 63.200 0.088 0.000 0.773 2036 S HN 0.068 nan 8.310 nan 0.000 0.529 2037 V N 0.236 120.142 119.914 -0.012 0.000 2.925 2037 V HA 0.614 4.734 4.120 -0.001 0.000 0.361 2037 V C 0.980 177.085 176.094 0.019 0.000 1.361 2037 V CA 0.461 62.716 62.300 -0.075 0.000 1.184 2037 V CB -0.214 31.362 31.823 -0.412 0.000 1.245 2037 V HN 0.715 nan 8.190 nan 0.000 0.575 2038 G N 0.222 109.071 108.800 0.083 0.000 2.232 2038 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.226 2038 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.226 2038 G C 1.441 176.435 174.900 0.157 0.000 0.996 2038 G CA 0.319 45.490 45.100 0.119 0.000 0.626 2038 G HN 1.967 nan 8.290 nan 0.000 0.509 2039 G N -1.020 107.902 108.800 0.203 0.000 2.153 2039 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.252 2039 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.252 2039 G C 0.181 175.142 174.900 0.103 0.000 0.994 2039 G CA 1.157 46.372 45.100 0.193 0.000 0.698 2039 G HN 1.262 nan 8.290 nan 0.000 0.521 2040 Q N 0.595 120.459 119.800 0.106 0.000 2.706 2040 Q HA 0.339 4.678 4.340 -0.001 0.000 0.250 2040 Q C -2.053 173.702 176.000 -0.409 0.000 1.120 2040 Q CA -1.958 53.807 55.803 -0.062 0.000 0.972 2040 Q CB 1.483 30.272 28.738 0.085 0.000 1.173 2040 Q HN 0.482 nan 8.270 nan 0.000 0.522 2041 P HA 0.161 nan 4.420 nan 0.000 0.272 2041 P C -0.022 176.772 177.300 -0.844 0.000 1.230 2041 P CA -0.397 61.687 63.100 -1.694 0.000 0.788 2041 P CB 1.192 32.057 31.700 -1.391 0.000 0.949 2042 I N 0.026 120.234 120.570 -0.603 0.000 2.392 2042 I HA 0.369 4.538 4.170 -0.001 0.000 0.295 2042 I C -0.746 175.354 176.117 -0.028 0.000 0.985 2042 I CA -1.129 60.099 61.300 -0.120 0.000 1.221 2042 I CB 1.676 39.756 38.000 0.133 0.000 1.366 2042 I HN -0.064 nan 8.210 nan 0.000 0.467 2043 V N 7.582 127.522 119.914 0.044 0.000 2.432 2043 V HA 0.276 4.396 4.120 -0.001 0.000 0.271 2043 V C 0.125 176.388 176.094 0.281 0.000 1.046 2043 V CA -0.077 62.288 62.300 0.107 0.000 0.945 2043 V CB 0.559 32.430 31.823 0.081 0.000 0.992 2043 V HN 0.576 nan 8.190 nan 0.000 0.471 2044 F N 2.658 122.582 119.950 -0.044 0.000 2.389 2044 F HA 0.179 4.706 4.527 -0.001 0.000 0.337 2044 F C 1.181 176.987 175.800 0.010 0.000 1.112 2044 F CA -0.162 57.816 58.000 -0.037 0.000 1.192 2044 F CB 1.534 40.488 39.000 -0.078 0.000 1.185 2044 F HN 0.625 nan 8.300 nan 0.000 0.552 2045 D N 0.683 121.181 120.400 0.163 0.000 2.597 2045 D HA 0.106 4.746 4.640 -0.001 0.000 0.261 2045 D C -0.113 176.237 176.300 0.084 0.000 1.023 2045 D CA 0.206 54.269 54.000 0.105 0.000 0.927 2045 D CB 0.557 41.398 40.800 0.068 0.000 1.168 2045 D HN 0.564 nan 8.370 nan 0.000 0.491 2046 R N -0.634 119.917 120.500 0.084 0.000 2.716 2046 R HA 0.600 4.940 4.340 -0.001 0.000 0.271 2046 R C -1.638 174.733 176.300 0.119 0.000 1.028 2046 R CA -1.033 55.113 56.100 0.076 0.000 0.883 2046 R CB 1.579 31.879 30.300 -0.001 0.000 1.250 2046 R HN -0.049 nan 8.270 nan 0.000 0.465 2047 V N -1.994 117.965 119.914 0.075 0.000 2.888 2047 V HA 0.804 4.924 4.120 -0.001 0.000 0.309 2047 V C -0.957 175.231 176.094 0.156 0.000 1.114 2047 V CA -0.825 61.452 62.300 -0.038 0.000 0.940 2047 V CB 2.013 33.440 31.823 -0.660 0.000 1.021 2047 V HN 0.967 nan 8.190 nan 0.000 0.426 2048 K N 2.334 122.948 120.400 0.357 0.000 2.557 2048 K HA 0.447 4.766 4.320 -0.001 0.000 0.257 2048 K C -0.684 176.087 176.600 0.285 0.000 0.933 2048 K CA -0.178 56.322 56.287 0.356 0.000 0.820 2048 K CB 1.944 34.668 32.500 0.374 0.000 1.330 2048 K HN 1.002 nan 8.250 nan 0.000 0.432 2049 D N 1.119 121.607 120.400 0.145 0.000 3.771 2049 D HA -0.295 4.344 4.640 -0.001 0.000 0.145 2049 D C 0.408 176.564 176.300 -0.239 0.000 0.892 2049 D CA 2.163 56.131 54.000 -0.055 0.000 1.080 2049 D CB -1.002 39.751 40.800 -0.079 0.000 0.498 2049 D HN 0.654 nan 8.370 nan 0.000 0.499 2050 A N 0.264 122.642 122.820 -0.738 0.000 2.423 2050 A HA 0.370 4.690 4.320 -0.001 0.000 0.246 2050 A C -0.206 176.815 177.584 -0.939 0.000 1.278 2050 A CA 0.091 51.503 52.037 -1.042 0.000 0.903 2050 A CB -0.190 17.813 19.000 -1.661 0.000 0.997 2050 A HN 0.346 nan 8.150 nan 0.000 0.510 2051 Y N -1.585 118.591 120.300 -0.208 0.000 2.549 2051 Y HA 0.697 5.246 4.550 -0.002 0.000 0.339 2051 Y C 0.342 175.940 175.900 -0.504 0.000 1.053 2051 Y CA -0.967 56.853 58.100 -0.465 0.000 1.105 2051 Y CB 1.770 39.710 38.460 -0.868 0.000 1.258 2051 Y HN 0.110 nan 8.280 nan 0.000 0.478 2052 A N 1.403 123.902 122.820 -0.537 0.000 2.414 2052 A HA 0.694 5.014 4.320 -0.001 0.000 0.306 2052 A C -1.914 175.284 177.584 -0.643 0.000 1.054 2052 A CA -0.637 51.019 52.037 -0.635 0.000 0.724 2052 A CB 1.272 19.659 19.000 -1.021 0.000 1.267 2052 A HN 0.751 nan 8.150 nan 0.000 0.418 2053 W N 1.484 122.567 121.300 -0.360 0.000 2.656 2053 W HA 0.284 4.944 4.660 -0.001 0.000 0.327 2053 W C -0.815 175.589 176.519 -0.192 0.000 1.041 2053 W CA -0.528 56.708 57.345 -0.183 0.000 1.229 2053 W CB 1.895 31.276 29.460 -0.132 0.000 1.397 2053 W HN 0.727 nan 8.180 nan 0.000 0.479 2054 D N 0.633 121.128 120.400 0.158 0.000 2.363 2054 D HA 0.026 4.666 4.640 -0.001 0.000 0.240 2054 D C 1.336 177.705 176.300 0.116 0.000 1.236 2054 D CA 0.209 54.300 54.000 0.152 0.000 0.927 2054 D CB 1.860 42.783 40.800 0.204 0.000 1.150 2054 D HN 0.190 nan 8.370 nan 0.000 0.458 2055 V N -1.421 118.549 119.914 0.093 0.000 3.217 2055 V HA -0.000 4.119 4.120 -0.001 0.000 0.264 2055 V C 1.034 177.148 176.094 0.034 0.000 1.135 2055 V CA 0.999 63.336 62.300 0.062 0.000 1.142 2055 V CB -0.104 31.753 31.823 0.057 0.000 0.754 2055 V HN 0.337 nan 8.190 nan 0.000 0.484 2056 D N 0.852 121.269 120.400 0.027 0.000 2.339 2056 D HA 0.244 4.883 4.640 -0.001 0.000 0.217 2056 D C 1.824 178.120 176.300 -0.006 0.000 1.050 2056 D CA 1.102 55.094 54.000 -0.014 0.000 0.856 2056 D CB 0.980 41.735 40.800 -0.074 0.000 0.922 2056 D HN 0.698 nan 8.370 nan 0.000 0.518 2057 G N 1.481 110.305 108.800 0.040 0.000 2.176 2057 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.232 2057 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.232 2057 G C 0.105 175.053 174.900 0.079 0.000 0.986 2057 G CA -0.367 44.772 45.100 0.064 0.000 0.643 2057 G HN 0.302 nan 8.290 nan 0.000 0.522 2058 N N 0.667 119.381 118.700 0.023 0.000 2.513 2058 N HA 0.456 5.195 4.740 -0.001 0.000 0.268 2058 N C 0.320 175.685 175.510 -0.242 0.000 1.180 2058 N CA -0.156 52.825 53.050 -0.115 0.000 0.948 2058 N CB 0.572 38.980 38.487 -0.132 0.000 1.083 2058 N HN 0.236 nan 8.380 nan 0.000 0.455 2059 R N 2.412 122.637 120.500 -0.459 0.000 2.532 2059 R HA 0.366 4.705 4.340 -0.001 0.000 0.295 2059 R C -1.584 174.262 176.300 -0.758 0.000 0.968 2059 R CA -0.356 55.325 56.100 -0.698 0.000 0.916 2059 R CB 0.614 30.541 30.300 -0.621 0.000 1.124 2059 R HN 0.574 nan 8.270 nan 0.000 0.463 2060 Y N 2.619 122.645 120.300 -0.456 0.000 2.512 2060 Y HA 0.454 5.003 4.550 -0.001 0.000 0.348 2060 Y C 0.300 176.111 175.900 -0.149 0.000 0.990 2060 Y CA -0.888 57.084 58.100 -0.213 0.000 1.033 2060 Y CB 1.867 40.269 38.460 -0.097 0.000 1.259 2060 Y HN 0.344 nan 8.280 nan 0.000 0.461 2061 I N 2.729 123.381 120.570 0.137 0.000 2.322 2061 I HA 0.102 4.271 4.170 -0.001 0.000 0.292 2061 I C -0.386 175.712 176.117 -0.031 0.000 1.060 2061 I CA -0.209 61.115 61.300 0.041 0.000 1.309 2061 I CB 0.488 38.542 38.000 0.089 0.000 1.415 2061 I HN 0.551 nan 8.210 nan 0.000 0.492 2062 D N 6.192 126.507 120.400 -0.142 0.000 2.295 2062 D HA 0.091 4.730 4.640 -0.001 0.000 0.248 2062 D C -0.316 175.915 176.300 -0.116 0.000 1.154 2062 D CA 0.137 54.147 54.000 0.017 0.000 0.857 2062 D CB 0.678 41.556 40.800 0.130 0.000 1.117 2062 D HN 0.310 nan 8.370 nan 0.000 0.468 2063 Y N 2.366 122.843 120.300 0.295 0.000 2.636 2063 Y HA 0.165 4.715 4.550 -0.000 0.000 0.260 2063 Y C 1.446 177.429 175.900 0.138 0.000 1.177 2063 Y CA -0.217 58.020 58.100 0.229 0.000 1.209 2063 Y CB 0.786 39.385 38.460 0.231 0.000 1.166 2063 Y HN 0.282 nan 8.280 nan 0.000 0.531 2064 V N -1.464 118.577 119.914 0.213 0.000 3.212 2064 V HA 0.197 4.316 4.120 -0.001 0.000 0.244 2064 V C 1.653 177.802 176.094 0.092 0.000 1.151 2064 V CA 0.828 63.141 62.300 0.022 0.000 1.119 2064 V CB -0.237 31.461 31.823 -0.208 0.000 0.838 2064 V HN 0.455 nan 8.190 nan 0.000 0.470 2065 G N 1.391 110.261 108.800 0.117 0.000 2.395 2065 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.300 2065 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.300 2065 G C 0.606 175.534 174.900 0.047 0.000 0.998 2065 G CA 1.379 46.479 45.100 0.001 0.000 1.046 2065 G HN 0.859 nan 8.290 nan 0.000 0.513 2066 T N -2.075 112.565 114.554 0.144 0.000 3.935 2066 T HA -0.307 4.042 4.350 -0.001 0.000 0.346 2066 T C 1.078 175.923 174.700 0.242 0.000 0.758 2066 T CA 2.233 64.441 62.100 0.179 0.000 1.874 2066 T CB -1.727 67.308 68.868 0.278 0.000 1.875 2066 T HN 2.106 nan 8.240 nan 0.000 0.802 2067 W N -2.960 118.432 121.300 0.153 0.000 3.294 2067 W HA -0.108 4.552 4.660 -0.001 0.000 0.333 2067 W C 1.281 177.629 176.519 -0.285 0.000 1.285 2067 W CA 0.757 58.169 57.345 0.113 0.000 0.650 2067 W CB -1.951 27.591 29.460 0.136 0.000 2.374 2067 W HN 1.300 nan 8.180 nan 0.000 1.248 2068 G N -3.972 104.544 108.800 -0.473 0.000 2.612 2068 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.200 2068 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.200 2068 G C -0.566 174.170 174.900 -0.272 0.000 1.053 2068 G CA 0.018 44.697 45.100 -0.701 0.000 0.707 2068 G HN 0.187 nan 8.290 nan 0.000 0.497 2069 P HA 0.130 nan 4.420 nan 0.000 0.216 2069 P C 1.538 178.810 177.300 -0.046 0.000 1.150 2069 P CA 2.163 65.242 63.100 -0.036 0.000 0.837 2069 P CB -0.089 31.628 31.700 0.028 0.000 0.786 2070 A N -0.861 121.917 122.820 -0.071 0.000 2.604 2070 A HA 0.050 4.370 4.320 -0.001 0.000 0.248 2070 A C 1.596 179.115 177.584 -0.109 0.000 1.466 2070 A CA -0.082 51.885 52.037 -0.117 0.000 1.222 2070 A CB -1.954 16.847 19.000 -0.331 0.000 0.945 2070 A HN 0.189 nan 8.150 nan 0.000 0.600 2071 I N -1.365 119.170 120.570 -0.059 0.000 2.361 2071 I HA -0.239 3.931 4.170 -0.001 0.000 0.251 2071 I C 1.449 177.564 176.117 -0.003 0.000 1.133 2071 I CA 1.430 62.717 61.300 -0.021 0.000 1.413 2071 I CB 0.117 38.124 38.000 0.011 0.000 1.073 2071 I HN 0.474 nan 8.210 nan 0.000 0.424 2072 C N 2.002 121.300 119.300 -0.004 0.000 2.626 2072 C HA 0.472 4.931 4.460 -0.001 0.000 0.266 2072 C C 1.004 176.059 174.990 0.108 0.000 1.317 2072 C CA 0.381 59.422 59.018 0.038 0.000 1.716 2072 C CB -1.837 25.888 27.740 -0.026 0.000 1.819 2072 C HN 0.781 nan 8.230 nan 0.000 0.578 2073 G N -0.323 108.489 108.800 0.021 0.000 2.587 2073 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.686 2073 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.686 2073 G C -0.993 173.906 174.900 -0.003 0.000 1.236 2073 G CA -0.939 44.149 45.100 -0.020 0.000 0.820 2073 G HN 0.547 nan 8.290 nan 0.000 0.645 2074 H N 0.300 119.389 119.070 0.033 0.000 2.732 2074 H HA 0.477 5.032 4.556 -0.001 0.000 0.351 2074 H C 1.290 176.662 175.328 0.073 0.000 1.090 2074 H CA 0.995 57.079 56.048 0.060 0.000 1.431 2074 H CB 1.267 31.066 29.762 0.062 0.000 1.447 2074 H HN 2.067 nan 8.280 nan 0.000 0.582 2075 A N 2.309 125.266 122.820 0.228 0.000 2.415 2075 A HA -0.259 4.060 4.320 -0.001 0.000 0.292 2075 A C 0.277 177.940 177.584 0.130 0.000 1.452 2075 A CA 0.597 52.722 52.037 0.148 0.000 0.750 2075 A CB -2.113 16.955 19.000 0.113 0.000 1.099 2075 A HN 0.812 nan 8.150 nan 0.000 0.391 2076 H N 1.648 120.747 119.070 0.048 0.000 3.004 2076 H HA 0.109 4.663 4.556 -0.002 0.000 0.316 2076 H C -0.765 174.573 175.328 0.017 0.000 1.014 2076 H CA -0.393 55.669 56.048 0.023 0.000 1.454 2076 H CB 0.929 30.695 29.762 0.007 0.000 1.472 2076 H HN 0.338 nan 8.280 nan 0.000 0.571 2077 P HA -0.189 nan 4.420 nan 0.000 0.216 2077 P C 0.843 178.235 177.300 0.154 0.000 1.150 2077 P CA 1.431 64.559 63.100 0.048 0.000 0.843 2077 P CB 0.345 32.014 31.700 -0.051 0.000 0.787 2078 E N -0.545 119.866 120.200 0.353 0.000 2.152 2078 E HA -0.056 4.293 4.350 -0.001 0.000 0.192 2078 E C 2.118 178.775 176.600 0.095 0.000 0.983 2078 E CA 0.620 57.134 56.400 0.189 0.000 0.818 2078 E CB -0.263 29.532 29.700 0.158 0.000 0.758 2078 E HN 0.104 nan 8.360 nan 0.000 0.467 2079 V N 1.572 121.554 119.914 0.113 0.000 2.323 2079 V HA -0.214 3.905 4.120 -0.001 0.000 0.244 2079 V C 2.209 178.328 176.094 0.042 0.000 1.041 2079 V CA 1.023 63.343 62.300 0.035 0.000 1.025 2079 V CB -0.268 31.574 31.823 0.032 0.000 0.656 2079 V HN 0.262 nan 8.190 nan 0.000 0.451 2080 I N 0.478 121.088 120.570 0.066 0.000 2.163 2080 I HA -0.222 3.947 4.170 -0.001 0.000 0.243 2080 I C 2.617 178.750 176.117 0.028 0.000 1.085 2080 I CA 1.919 63.244 61.300 0.043 0.000 1.347 2080 I CB -1.210 36.816 38.000 0.044 0.000 1.044 2080 I HN 0.423 nan 8.210 nan 0.000 0.408 2081 E N 1.482 121.703 120.200 0.034 0.000 2.058 2081 E HA -0.184 4.165 4.350 -0.001 0.000 0.194 2081 E C 2.192 178.800 176.600 0.014 0.000 0.997 2081 E CA 1.905 58.318 56.400 0.023 0.000 0.801 2081 E CB -0.258 29.458 29.700 0.028 0.000 0.746 2081 E HN 0.388 nan 8.360 nan 0.000 0.450 2082 A N 0.316 123.143 122.820 0.011 0.000 1.933 2082 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 2082 A C 2.355 179.934 177.584 -0.008 0.000 1.175 2082 A CA 1.467 53.503 52.037 -0.001 0.000 0.628 2082 A CB -0.679 18.315 19.000 -0.011 0.000 0.814 2082 A HN 0.350 nan 8.150 nan 0.000 0.444 2083 L N -0.810 120.409 121.223 -0.007 0.000 2.072 2083 L HA -0.161 4.179 4.340 -0.001 0.000 0.205 2083 L C 2.572 179.438 176.870 -0.008 0.000 1.079 2083 L CA 1.447 56.279 54.840 -0.014 0.000 0.752 2083 L CB -0.405 41.648 42.059 -0.010 0.000 0.906 2083 L HN 0.337 nan 8.230 nan 0.000 0.436 2084 K N -0.290 120.110 120.400 0.000 0.000 2.057 2084 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 2084 K C 2.055 178.657 176.600 0.004 0.000 1.049 2084 K CA 1.255 57.544 56.287 0.002 0.000 0.931 2084 K CB -0.290 32.213 32.500 0.005 0.000 0.714 2084 K HN 0.116 nan 8.250 nan 0.000 0.440 2085 V N 1.408 121.324 119.914 0.005 0.000 2.307 2085 V HA -0.246 3.874 4.120 -0.001 0.000 0.245 2085 V C 2.394 178.494 176.094 0.011 0.000 1.045 2085 V CA 2.032 64.337 62.300 0.008 0.000 1.024 2085 V CB -0.636 31.192 31.823 0.008 0.000 0.651 2085 V HN 0.356 nan 8.190 nan 0.000 0.449 2086 A N 0.996 123.817 122.820 0.002 0.000 1.902 2086 A HA -0.251 4.068 4.320 -0.001 0.000 0.217 2086 A C 2.263 179.847 177.584 -0.000 0.000 1.181 2086 A CA 2.274 54.310 52.037 -0.001 0.000 0.623 2086 A CB -0.554 18.430 19.000 -0.027 0.000 0.818 2086 A HN 0.674 nan 8.150 nan 0.000 0.443 2087 M N -1.532 118.062 119.600 -0.009 0.000 2.446 2087 M HA -0.058 4.422 4.480 -0.001 0.000 0.263 2087 M C 1.069 177.379 176.300 0.016 0.000 1.066 2087 M CA 1.696 56.991 55.300 -0.008 0.000 1.087 2087 M CB -0.590 32.003 32.600 -0.012 0.000 1.406 2087 M HN 0.141 nan 8.290 nan 0.000 0.459 2088 E N 2.196 122.410 120.200 0.023 0.000 2.338 2088 E HA -0.075 4.274 4.350 -0.001 0.000 0.197 2088 E C 1.100 177.732 176.600 0.052 0.000 1.007 2088 E CA 1.002 57.420 56.400 0.031 0.000 0.849 2088 E CB -0.175 29.540 29.700 0.025 0.000 0.774 2088 E HN 0.709 nan 8.360 nan 0.000 0.506 2089 K N -0.090 120.356 120.400 0.077 0.000 2.372 2089 K HA 0.271 4.590 4.320 -0.001 0.000 0.200 2089 K C 0.381 177.117 176.600 0.226 0.000 1.022 2089 K CA 0.340 56.711 56.287 0.139 0.000 1.125 2089 K CB 1.039 33.645 32.500 0.176 0.000 0.855 2089 K HN 0.077 nan 8.250 nan 0.000 0.524 2090 G N 0.950 109.830 108.800 0.133 0.000 2.674 2090 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.686 2090 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.686 2090 G C 0.399 175.283 174.900 -0.026 0.000 1.195 2090 G CA -0.289 44.887 45.100 0.127 0.000 0.776 2090 G HN 0.081 nan 8.290 nan 0.000 0.654 2091 T N -2.466 112.051 114.554 -0.061 0.000 3.051 2091 T HA 0.574 4.923 4.350 -0.001 0.000 0.255 2091 T C 1.090 175.646 174.700 -0.240 0.000 1.085 2091 T CA 1.384 63.401 62.100 -0.139 0.000 1.109 2091 T CB 0.394 69.219 68.868 -0.071 0.000 0.921 2091 T HN 1.865 nan 8.240 nan 0.000 0.488 2092 S N -0.774 114.800 115.700 -0.210 0.000 2.543 2092 S HA 0.612 5.082 4.470 -0.001 0.000 0.271 2092 S C -0.870 173.726 174.600 -0.006 0.000 1.148 2092 S CA -0.799 57.276 58.200 -0.208 0.000 0.914 2092 S CB 0.824 63.981 63.200 -0.071 0.000 1.096 2092 S HN 0.062 nan 8.310 nan 0.000 0.471 2093 F N 2.444 122.394 119.950 0.000 0.000 2.419 2093 F HA 0.432 4.957 4.527 -0.002 0.000 0.283 2093 F C 2.243 178.048 175.800 0.009 0.000 1.044 2093 F CA 0.564 58.566 58.000 0.003 0.000 1.376 2093 F CB -0.791 38.210 39.000 0.001 0.000 1.131 2093 F HN 0.934 nan 8.300 nan 0.000 0.585 2094 G N 0.470 109.393 108.800 0.205 0.000 2.132 2094 G HA2 0.099 4.058 3.960 -0.001 0.000 0.234 2094 G HA3 0.099 4.058 3.960 -0.001 0.000 0.234 2094 G C 0.090 175.062 174.900 0.121 0.000 0.989 2094 G CA 0.195 45.370 45.100 0.124 0.000 0.676 2094 G HN 0.811 nan 8.290 nan 0.000 0.522 2095 A N -0.979 121.939 122.820 0.164 0.000 2.593 2095 A HA 0.923 5.242 4.320 -0.001 0.000 0.290 2095 A C -2.788 174.883 177.584 0.144 0.000 1.126 2095 A CA -0.996 51.111 52.037 0.116 0.000 0.695 2095 A CB 0.848 19.888 19.000 0.067 0.000 1.290 2095 A HN 0.154 nan 8.150 nan 0.000 0.414 2096 P HA 0.423 nan 4.420 nan 0.000 0.269 2096 P C -0.467 176.911 177.300 0.129 0.000 1.209 2096 P CA -0.010 63.150 63.100 0.100 0.000 0.776 2096 P CB 0.242 31.979 31.700 0.062 0.000 0.876 2097 C N -0.405 118.983 119.300 0.146 0.000 2.994 2097 C HA 0.796 5.255 4.460 -0.001 0.000 0.305 2097 C C 1.558 176.612 174.990 0.106 0.000 1.251 2097 C CA -0.132 58.989 59.018 0.172 0.000 1.478 2097 C CB 1.020 28.983 27.740 0.372 0.000 1.922 2097 C HN 0.648 nan 8.230 nan 0.000 0.472 2098 A N 1.179 124.051 122.820 0.086 0.000 1.978 2098 A HA -0.044 4.276 4.320 -0.001 0.000 0.220 2098 A C 1.918 179.532 177.584 0.050 0.000 1.170 2098 A CA 1.962 54.034 52.037 0.059 0.000 0.636 2098 A CB -0.711 18.317 19.000 0.047 0.000 0.810 2098 A HN 0.970 nan 8.150 nan 0.000 0.448 2099 L N -0.891 120.359 121.223 0.046 0.000 2.127 2099 L HA -0.242 4.098 4.340 -0.001 0.000 0.211 2099 L C 2.540 179.395 176.870 -0.024 0.000 1.089 2099 L CA 1.699 56.539 54.840 -0.000 0.000 0.757 2099 L CB -0.607 41.434 42.059 -0.031 0.000 0.899 2099 L HN 0.487 nan 8.230 nan 0.000 0.434 2100 E N 0.013 120.212 120.200 -0.002 0.000 2.077 2100 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 2100 E C 1.922 178.606 176.600 0.141 0.000 0.989 2100 E CA 1.296 57.715 56.400 0.031 0.000 0.800 2100 E CB -0.058 29.697 29.700 0.090 0.000 0.746 2100 E HN 0.447 nan 8.360 nan 0.000 0.452 2101 N N 0.090 118.850 118.700 0.099 0.000 2.120 2101 N HA -0.137 4.602 4.740 -0.001 0.000 0.188 2101 N C 1.784 177.348 175.510 0.090 0.000 1.024 2101 N CA 0.855 53.962 53.050 0.094 0.000 0.852 2101 N CB -0.321 38.203 38.487 0.062 0.000 1.003 2101 N HN -0.022 nan 8.380 nan 0.000 0.424 2102 V N 1.054 121.007 119.914 0.065 0.000 2.261 2102 V HA -0.157 3.963 4.120 -0.001 0.000 0.246 2102 V C 2.321 178.461 176.094 0.077 0.000 1.047 2102 V CA 1.231 63.564 62.300 0.056 0.000 1.015 2102 V CB -0.535 31.305 31.823 0.029 0.000 0.642 2102 V HN 0.330 nan 8.190 nan 0.000 0.446 2103 L N -0.273 120.993 121.223 0.073 0.000 2.093 2103 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 2103 L C 2.628 179.681 176.870 0.304 0.000 1.085 2103 L CA 1.630 56.541 54.840 0.118 0.000 0.755 2103 L CB -0.579 41.448 42.059 -0.054 0.000 0.904 2103 L HN 0.404 nan 8.230 nan 0.000 0.435 2104 A N -0.139 122.902 122.820 0.368 0.000 1.883 2104 A HA -0.261 4.059 4.320 -0.001 0.000 0.217 2104 A C 2.023 179.669 177.584 0.104 0.000 1.186 2104 A CA 1.835 54.005 52.037 0.223 0.000 0.624 2104 A CB -0.485 18.604 19.000 0.149 0.000 0.822 2104 A HN 0.509 nan 8.150 nan 0.000 0.444 2105 E N -0.727 119.532 120.200 0.100 0.000 2.077 2105 E HA -0.179 4.171 4.350 -0.001 0.000 0.193 2105 E C 2.123 178.780 176.600 0.094 0.000 0.989 2105 E CA 1.448 57.892 56.400 0.075 0.000 0.800 2105 E CB -0.273 29.467 29.700 0.067 0.000 0.746 2105 E HN 0.663 nan 8.360 nan 0.000 0.452 2106 M N 0.226 119.896 119.600 0.117 0.000 2.117 2106 M HA -0.167 4.312 4.480 -0.001 0.000 0.262 2106 M C 2.413 178.811 176.300 0.162 0.000 1.065 2106 M CA 1.140 56.528 55.300 0.146 0.000 1.114 2106 M CB -0.154 32.523 32.600 0.130 0.000 1.361 2106 M HN 0.019 nan 8.290 nan 0.000 0.408 2107 V N 0.904 120.910 119.914 0.154 0.000 2.358 2107 V HA -0.258 3.861 4.120 -0.001 0.000 0.246 2107 V C 2.037 178.186 176.094 0.091 0.000 1.047 2107 V CA 1.684 64.089 62.300 0.176 0.000 1.035 2107 V CB -0.865 31.048 31.823 0.151 0.000 0.658 2107 V HN 0.468 nan 8.190 nan 0.000 0.452 2108 N N 0.513 119.242 118.700 0.049 0.000 2.069 2108 N HA -0.170 4.569 4.740 -0.001 0.000 0.191 2108 N C 1.543 177.073 175.510 0.035 0.000 1.031 2108 N CA 1.786 54.845 53.050 0.015 0.000 0.852 2108 N CB -0.487 38.001 38.487 0.002 0.000 1.018 2108 N HN 0.484 nan 8.380 nan 0.000 0.423 2109 D N 0.653 121.097 120.400 0.072 0.000 2.178 2109 D HA -0.026 4.614 4.640 -0.001 0.000 0.202 2109 D C 1.755 178.125 176.300 0.118 0.000 0.974 2109 D CA 0.814 54.869 54.000 0.093 0.000 0.841 2109 D CB -0.161 40.713 40.800 0.123 0.000 0.953 2109 D HN 0.246 nan 8.370 nan 0.000 0.478 2110 A N 0.524 123.418 122.820 0.124 0.000 1.898 2110 A HA 0.020 4.340 4.320 -0.001 0.000 0.214 2110 A C 1.227 178.759 177.584 -0.087 0.000 1.183 2110 A CA 0.460 52.530 52.037 0.055 0.000 0.622 2110 A CB -0.006 18.911 19.000 -0.138 0.000 0.824 2110 A HN 0.090 nan 8.150 nan 0.000 0.444 2111 V N 0.903 120.759 119.914 -0.097 0.000 2.364 2111 V HA 0.193 4.312 4.120 -0.001 0.000 0.272 2111 V C -1.651 174.397 176.094 -0.077 0.000 1.036 2111 V CA -1.143 61.077 62.300 -0.133 0.000 0.880 2111 V CB 1.098 32.837 31.823 -0.141 0.000 0.991 2111 V HN 0.191 nan 8.190 nan 0.000 0.460 2112 P HA -0.218 nan 4.420 nan 0.000 0.217 2112 P C 1.816 179.073 177.300 -0.073 0.000 1.162 2112 P CA 2.083 65.147 63.100 -0.059 0.000 0.901 2112 P CB 0.131 31.796 31.700 -0.058 0.000 0.793 2113 S N -1.677 113.963 115.700 -0.099 0.000 2.489 2113 S HA -0.004 4.466 4.470 -0.001 0.000 0.228 2113 S C 0.899 175.444 174.600 -0.092 0.000 0.995 2113 S CA 0.296 58.429 58.200 -0.112 0.000 0.934 2113 S CB -1.039 62.066 63.200 -0.159 0.000 0.771 2113 S HN 0.031 nan 8.310 nan 0.000 0.522 2114 I N 2.165 122.688 120.570 -0.078 0.000 2.352 2114 I HA 0.244 4.413 4.170 -0.001 0.000 0.290 2114 I C 0.827 176.905 176.117 -0.065 0.000 1.036 2114 I CA -0.124 61.131 61.300 -0.075 0.000 1.336 2114 I CB 1.108 39.066 38.000 -0.069 0.000 1.407 2114 I HN 0.279 nan 8.210 nan 0.000 0.497 2115 E N 5.215 125.372 120.200 -0.072 0.000 2.421 2115 E HA 0.236 4.586 4.350 -0.001 0.000 0.209 2115 E C 0.095 176.653 176.600 -0.070 0.000 0.871 2115 E CA 0.160 56.525 56.400 -0.059 0.000 1.064 2115 E CB 1.245 30.913 29.700 -0.054 0.000 1.075 2115 E HN 0.571 nan 8.360 nan 0.000 0.513 2116 M N 1.371 120.912 119.600 -0.098 0.000 2.433 2116 M HA 0.441 4.921 4.480 -0.001 0.000 0.290 2116 M C -2.122 174.062 176.300 -0.193 0.000 1.173 2116 M CA -0.747 54.477 55.300 -0.126 0.000 0.905 2116 M CB 2.943 35.478 32.600 -0.109 0.000 1.692 2116 M HN -0.098 nan 8.290 nan 0.000 0.462 2117 V N 3.272 123.023 119.914 -0.272 0.000 3.049 2117 V HA 0.844 4.963 4.120 -0.001 0.000 0.309 2117 V C -1.906 173.841 176.094 -0.579 0.000 1.148 2117 V CA -0.539 61.501 62.300 -0.434 0.000 0.990 2117 V CB 2.468 34.006 31.823 -0.475 0.000 1.039 2117 V HN 0.980 nan 8.190 nan 0.000 0.430 2118 R N 4.300 124.345 120.500 -0.757 0.000 2.476 2118 R HA 0.577 4.917 4.340 -0.001 0.000 0.305 2118 R C -1.775 174.170 176.300 -0.591 0.000 0.965 2118 R CA -0.459 55.227 56.100 -0.691 0.000 0.867 2118 R CB 0.989 30.789 30.300 -0.834 0.000 1.176 2118 R HN 0.546 nan 8.270 nan 0.000 0.447 2119 F N 4.340 124.198 119.950 -0.153 0.000 2.389 2119 F HA 0.478 5.005 4.527 -0.000 0.000 0.337 2119 F C 0.928 176.718 175.800 -0.017 0.000 1.112 2119 F CA -0.006 57.954 58.000 -0.066 0.000 1.192 2119 F CB 1.271 40.243 39.000 -0.047 0.000 1.185 2119 F HN 0.403 nan 8.300 nan 0.000 0.552 2120 V N -0.445 119.613 119.914 0.240 0.000 3.087 2120 V HA 0.505 4.625 4.120 -0.001 0.000 0.311 2120 V C -0.586 175.588 176.094 0.134 0.000 1.333 2120 V CA -0.943 61.459 62.300 0.170 0.000 1.054 2120 V CB 1.907 33.842 31.823 0.186 0.000 1.123 2120 V HN 0.670 nan 8.190 nan 0.000 0.473 2121 N N 0.610 119.370 118.700 0.100 0.000 2.205 2121 N HA 0.438 5.177 4.740 -0.001 0.000 0.201 2121 N C -0.137 175.417 175.510 0.072 0.000 1.128 2121 N CA 0.578 53.672 53.050 0.074 0.000 0.867 2121 N CB 0.639 39.161 38.487 0.059 0.000 0.996 2121 N HN 0.995 nan 8.380 nan 0.000 0.503 2122 S N -3.013 112.735 115.700 0.080 0.000 2.627 2122 S HA 0.431 4.901 4.470 -0.001 0.000 0.268 2122 S C 0.758 175.395 174.600 0.062 0.000 1.130 2122 S CA -0.606 57.635 58.200 0.068 0.000 0.819 2122 S CB 0.690 63.927 63.200 0.061 0.000 1.100 2122 S HN -0.025 nan 8.310 nan 0.000 0.465 2123 G N 0.603 109.433 108.800 0.050 0.000 2.422 2123 G HA2 0.011 3.971 3.960 -0.001 0.000 0.218 2123 G HA3 0.011 3.971 3.960 -0.001 0.000 0.218 2123 G C 1.022 175.908 174.900 -0.025 0.000 1.140 2123 G CA 1.446 46.568 45.100 0.036 0.000 0.775 2123 G HN 0.787 nan 8.290 nan 0.000 0.545 2124 T N 0.875 115.383 114.554 -0.076 0.000 2.708 2124 T HA -0.068 4.281 4.350 -0.001 0.000 0.266 2124 T C 2.187 176.816 174.700 -0.118 0.000 1.037 2124 T CA 1.461 63.439 62.100 -0.203 0.000 1.146 2124 T CB -0.144 68.484 68.868 -0.401 0.000 0.865 2124 T HN 0.455 nan 8.240 nan 0.000 0.435 2125 E N 0.989 121.166 120.200 -0.038 0.000 2.077 2125 E HA -0.067 4.283 4.350 -0.001 0.000 0.193 2125 E C 2.588 179.180 176.600 -0.014 0.000 0.989 2125 E CA 0.958 57.357 56.400 -0.002 0.000 0.800 2125 E CB -0.215 29.516 29.700 0.052 0.000 0.746 2125 E HN 0.465 nan 8.360 nan 0.000 0.452 2126 A N 0.902 123.741 122.820 0.033 0.000 1.877 2126 A HA -0.208 4.112 4.320 -0.001 0.000 0.216 2126 A C 2.446 179.975 177.584 -0.092 0.000 1.186 2126 A CA 1.325 53.390 52.037 0.047 0.000 0.620 2126 A CB -0.884 18.205 19.000 0.148 0.000 0.822 2126 A HN 0.362 nan 8.150 nan 0.000 0.443 2127 C N -1.007 118.270 119.300 -0.037 0.000 2.440 2127 C HA -0.076 4.383 4.460 -0.001 0.000 0.278 2127 C C 2.875 177.833 174.990 -0.054 0.000 1.295 2127 C CA 1.264 60.280 59.018 -0.003 0.000 1.738 2127 C CB -1.321 26.456 27.740 0.062 0.000 1.987 2127 C HN 0.645 nan 8.230 nan 0.000 0.492 2128 M N 1.099 120.651 119.600 -0.081 0.000 2.080 2128 M HA -0.164 4.316 4.480 -0.001 0.000 0.260 2128 M C 2.561 178.755 176.300 -0.176 0.000 1.068 2128 M CA 2.209 57.453 55.300 -0.093 0.000 1.109 2128 M CB -0.573 31.989 32.600 -0.063 0.000 1.342 2128 M HN 0.448 nan 8.290 nan 0.000 0.405 2129 A N -0.490 122.158 122.820 -0.287 0.000 1.877 2129 A HA -0.133 4.186 4.320 -0.001 0.000 0.216 2129 A C 2.280 179.541 177.584 -0.539 0.000 1.186 2129 A CA 1.755 53.496 52.037 -0.494 0.000 0.620 2129 A CB -1.156 17.278 19.000 -0.943 0.000 0.822 2129 A HN 0.305 nan 8.150 nan 0.000 0.443 2130 V N -0.071 119.515 119.914 -0.546 0.000 2.490 2130 V HA -0.175 3.944 4.120 -0.001 0.000 0.250 2130 V C 2.359 178.335 176.094 -0.197 0.000 1.061 2130 V CA 1.745 63.851 62.300 -0.322 0.000 1.064 2130 V CB -0.363 31.359 31.823 -0.169 0.000 0.670 2130 V HN 0.549 nan 8.190 nan 0.000 0.461 2131 L N 0.025 121.128 121.223 -0.200 0.000 2.027 2131 L HA -0.148 4.191 4.340 -0.001 0.000 0.206 2131 L C 2.569 179.338 176.870 -0.169 0.000 1.074 2131 L CA 2.353 57.065 54.840 -0.213 0.000 0.745 2131 L CB -1.120 40.768 42.059 -0.284 0.000 0.898 2131 L HN 0.347 nan 8.230 nan 0.000 0.433 2132 R N -0.519 119.888 120.500 -0.155 0.000 2.075 2132 R HA -0.190 4.150 4.340 -0.001 0.000 0.232 2132 R C 2.227 178.486 176.300 -0.068 0.000 1.126 2132 R CA 1.535 57.573 56.100 -0.103 0.000 0.963 2132 R CB -0.310 29.938 30.300 -0.087 0.000 0.858 2132 R HN 0.262 nan 8.270 nan 0.000 0.435 2133 I N 0.687 121.206 120.570 -0.086 0.000 2.286 2133 I HA -0.244 3.925 4.170 -0.001 0.000 0.248 2133 I C 1.793 177.921 176.117 0.018 0.000 1.115 2133 I CA 1.598 62.885 61.300 -0.022 0.000 1.392 2133 I CB -0.061 37.921 38.000 -0.031 0.000 1.065 2133 I HN 0.277 nan 8.210 nan 0.000 0.418 2134 M N -0.555 119.032 119.600 -0.021 0.000 2.108 2134 M HA -0.216 4.263 4.480 -0.001 0.000 0.261 2134 M C 2.415 178.739 176.300 0.040 0.000 1.066 2134 M CA 1.756 57.064 55.300 0.013 0.000 1.107 2134 M CB -0.512 32.065 32.600 -0.038 0.000 1.356 2134 M HN 0.135 nan 8.290 nan 0.000 0.406 2135 R N 0.050 120.545 120.500 -0.009 0.000 2.073 2135 R HA 0.018 4.358 4.340 -0.001 0.000 0.229 2135 R C 2.417 178.725 176.300 0.012 0.000 1.120 2135 R CA 1.290 57.382 56.100 -0.014 0.000 0.967 2135 R CB -0.428 29.842 30.300 -0.050 0.000 0.862 2135 R HN 0.364 nan 8.270 nan 0.000 0.436 2136 A N 0.346 123.184 122.820 0.030 0.000 1.930 2136 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 2136 A C 1.942 179.570 177.584 0.074 0.000 1.175 2136 A CA 1.086 53.149 52.037 0.043 0.000 0.627 2136 A CB -0.601 18.430 19.000 0.052 0.000 0.815 2136 A HN 0.416 nan 8.150 nan 0.000 0.443 2137 Y N 1.556 121.849 120.300 -0.013 0.000 2.220 2137 Y HA -0.170 4.379 4.550 -0.001 0.000 0.291 2137 Y C 2.833 178.730 175.900 -0.005 0.000 1.129 2137 Y CA 2.377 60.473 58.100 -0.006 0.000 1.161 2137 Y CB -0.369 38.089 38.460 -0.004 0.000 0.997 2137 Y HN 0.422 nan 8.280 nan 0.000 0.522 2138 T N -3.919 110.646 114.554 0.019 0.000 3.035 2138 T HA 0.238 4.588 4.350 -0.001 0.000 0.259 2138 T C 1.757 176.415 174.700 -0.069 0.000 1.078 2138 T CA 0.682 62.748 62.100 -0.056 0.000 1.132 2138 T CB -0.432 68.466 68.868 0.050 0.000 0.900 2138 T HN 0.633 nan 8.240 nan 0.000 0.480 2139 G N 1.696 110.469 108.800 -0.044 0.000 2.143 2139 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.249 2139 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.249 2139 G C 0.071 174.950 174.900 -0.034 0.000 0.981 2139 G CA -0.012 45.062 45.100 -0.043 0.000 0.665 2139 G HN 0.720 nan 8.290 nan 0.000 0.528 2140 R N -0.266 120.217 120.500 -0.029 0.000 2.668 2140 R HA 0.560 4.900 4.340 -0.001 0.000 0.279 2140 R C -0.044 176.225 176.300 -0.051 0.000 0.976 2140 R CA -0.692 55.386 56.100 -0.036 0.000 0.978 2140 R CB 0.979 31.261 30.300 -0.030 0.000 1.133 2140 R HN 0.010 nan 8.270 nan 0.000 0.484 2141 D N 0.738 121.100 120.400 -0.063 0.000 2.366 2141 D HA 0.010 4.649 4.640 -0.001 0.000 0.205 2141 D C -0.187 176.048 176.300 -0.107 0.000 1.022 2141 D CA 0.755 54.709 54.000 -0.078 0.000 0.868 2141 D CB 0.528 41.287 40.800 -0.068 0.000 0.953 2141 D HN 0.160 nan 8.370 nan 0.000 0.514 2142 K N 1.081 121.411 120.400 -0.117 0.000 2.205 2142 K HA 0.391 4.710 4.320 -0.001 0.000 0.279 2142 K C -0.187 176.303 176.600 -0.183 0.000 1.027 2142 K CA -0.579 55.616 56.287 -0.153 0.000 0.932 2142 K CB 1.977 34.377 32.500 -0.167 0.000 1.032 2142 K HN -0.110 nan 8.250 nan 0.000 0.466 2143 I N 3.037 123.482 120.570 -0.208 0.000 2.545 2143 I HA 0.365 4.534 4.170 -0.001 0.000 0.292 2143 I C -0.130 175.849 176.117 -0.230 0.000 1.040 2143 I CA -0.569 60.595 61.300 -0.226 0.000 1.068 2143 I CB 1.647 39.475 38.000 -0.288 0.000 1.251 2143 I HN 0.429 nan 8.210 nan 0.000 0.424 2144 I N 6.227 126.658 120.570 -0.232 0.000 2.336 2144 I HA 0.423 4.592 4.170 -0.001 0.000 0.292 2144 I C -0.219 175.747 176.117 -0.252 0.000 0.991 2144 I CA -0.594 60.546 61.300 -0.266 0.000 1.227 2144 I CB 1.016 38.826 38.000 -0.316 0.000 1.366 2144 I HN 0.603 nan 8.210 nan 0.000 0.466 2145 K N 5.206 125.458 120.400 -0.246 0.000 2.433 2145 K HA 0.658 4.977 4.320 -0.001 0.000 0.252 2145 K C -1.565 174.852 176.600 -0.304 0.000 1.015 2145 K CA -0.753 55.459 56.287 -0.125 0.000 0.860 2145 K CB 1.851 34.494 32.500 0.239 0.000 1.359 2145 K HN 0.171 nan 8.250 nan 0.000 0.452 2146 F N 0.768 120.871 119.950 0.254 0.000 2.458 2146 F HA 0.283 4.810 4.527 -0.001 0.000 0.330 2146 F C 0.582 176.479 175.800 0.163 0.000 1.082 2146 F CA -0.726 57.421 58.000 0.246 0.000 0.995 2146 F CB 1.736 40.978 39.000 0.402 0.000 1.170 2146 F HN 0.609 nan 8.300 nan 0.000 0.478 2147 E N 0.964 121.346 120.200 0.303 0.000 2.415 2147 E HA 0.320 4.670 4.350 -0.001 0.000 0.263 2147 E C 0.943 177.562 176.600 0.031 0.000 0.995 2147 E CA 1.019 57.516 56.400 0.161 0.000 0.915 2147 E CB 0.362 30.190 29.700 0.214 0.000 0.951 2147 E HN 0.903 nan 8.360 nan 0.000 0.449 2148 G N 3.251 111.871 108.800 -0.300 0.000 2.234 2148 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.235 2148 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.235 2148 G C 0.255 174.929 174.900 -0.378 0.000 0.997 2148 G CA 0.012 44.678 45.100 -0.723 0.000 0.623 2148 G HN 0.644 nan 8.290 nan 0.000 0.514 2149 C N 0.337 119.544 119.300 -0.154 0.000 2.534 2149 C HA 0.700 5.159 4.460 -0.001 0.000 0.385 2149 C C 0.118 174.953 174.990 -0.258 0.000 1.264 2149 C CA -0.283 58.639 59.018 -0.160 0.000 2.342 2149 C CB 0.437 28.225 27.740 0.080 0.000 2.564 2149 C HN 0.443 nan 8.230 nan 0.000 0.603 2150 Y N 1.049 120.966 120.300 -0.639 0.000 2.442 2150 Y HA 0.489 5.038 4.550 -0.001 0.000 0.344 2150 Y C -0.283 175.044 175.900 -0.955 0.000 0.976 2150 Y CA -0.652 57.065 58.100 -0.639 0.000 1.040 2150 Y CB 0.788 39.026 38.460 -0.369 0.000 1.228 2150 Y HN 0.867 nan 8.280 nan 0.000 0.451 2151 H N 3.731 122.095 119.070 -1.176 0.000 2.825 2151 H HA 0.545 5.100 4.556 -0.001 0.000 0.226 2151 H C 0.440 175.196 175.328 -0.953 0.000 1.414 2151 H CA -0.355 55.149 56.048 -0.905 0.000 1.198 2151 H CB 0.561 29.900 29.762 -0.706 0.000 2.013 2151 H HN 1.022 nan 8.280 nan 0.000 0.530 2152 G N 1.203 109.161 108.800 -1.403 0.000 2.741 2152 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.222 2152 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.222 2152 G C 0.076 174.649 174.900 -0.545 0.000 1.364 2152 G CA -0.255 44.346 45.100 -0.831 0.000 0.866 2152 G HN 0.749 nan 8.290 nan 0.000 0.555 2153 H N -0.919 118.133 119.070 -0.030 0.000 2.524 2153 H HA 0.590 5.146 4.556 -0.001 0.000 0.297 2153 H C 0.924 176.306 175.328 0.089 0.000 1.115 2153 H CA 0.260 56.354 56.048 0.077 0.000 1.027 2153 H CB -0.368 29.463 29.762 0.114 0.000 1.591 2153 H HN 1.202 nan 8.280 nan 0.000 0.543 2154 A N 1.640 124.527 122.820 0.112 0.000 2.639 2154 A HA -0.008 4.312 4.320 -0.001 0.000 0.295 2154 A C 0.493 178.169 177.584 0.153 0.000 1.443 2154 A CA -0.039 52.077 52.037 0.132 0.000 1.117 2154 A CB -0.557 18.508 19.000 0.108 0.000 1.098 2154 A HN 0.445 nan 8.150 nan 0.000 0.552 2155 D N 2.096 122.576 120.400 0.133 0.000 5.591 2155 D HA -0.302 4.337 4.640 -0.001 0.000 0.357 2155 D C 1.464 177.811 176.300 0.079 0.000 1.674 2155 D CA 2.646 56.705 54.000 0.097 0.000 1.017 2155 D CB -0.219 40.616 40.800 0.058 0.000 0.725 2155 D HN 0.614 nan 8.370 nan 0.000 0.843 2156 M N -1.090 118.519 119.600 0.016 0.000 2.814 2156 M HA -0.067 4.412 4.480 -0.001 0.000 0.237 2156 M C 1.150 177.407 176.300 -0.071 0.000 1.039 2156 M CA 0.972 56.236 55.300 -0.061 0.000 1.071 2156 M CB -0.843 31.667 32.600 -0.151 0.000 1.501 2156 M HN 0.210 nan 8.290 nan 0.000 0.558 2157 F N -0.934 119.006 119.950 -0.015 0.000 2.778 2157 F HA 0.154 4.681 4.527 -0.001 0.000 0.314 2157 F C 0.670 176.483 175.800 0.022 0.000 1.073 2157 F CA -0.465 57.528 58.000 -0.012 0.000 1.218 2157 F CB 0.845 39.828 39.000 -0.030 0.000 1.037 2157 F HN -0.169 nan 8.300 nan 0.000 0.594 2158 L N 3.965 125.333 121.223 0.242 0.000 2.546 2158 L HA 0.080 4.419 4.340 -0.001 0.000 0.272 2158 L C -0.323 176.619 176.870 0.121 0.000 1.327 2158 L CA 0.526 55.461 54.840 0.158 0.000 1.199 2158 L CB -1.593 40.540 42.059 0.123 0.000 1.401 2158 L HN -0.014 nan 8.230 nan 0.000 0.440 2159 V N 0.104 120.098 119.914 0.133 0.000 2.934 2159 V HA 0.403 4.522 4.120 -0.001 0.000 0.254 2159 V C 0.226 176.378 176.094 0.097 0.000 0.984 2159 V CA -1.101 61.256 62.300 0.096 0.000 0.938 2159 V CB 1.211 33.083 31.823 0.081 0.000 1.046 2159 V HN 0.473 nan 8.190 nan 0.000 0.505 2160 K N 0.387 120.826 120.400 0.065 0.000 3.456 2160 K HA -0.084 4.236 4.320 -0.001 0.000 0.297 2160 K C 0.604 177.205 176.600 0.002 0.000 1.371 2160 K CA 1.288 57.603 56.287 0.046 0.000 0.916 2160 K CB -1.782 30.760 32.500 0.070 0.000 1.413 2160 K HN 2.057 nan 8.250 nan 0.000 0.474 2161 A N 0.215 123.047 122.820 0.019 0.000 2.547 2161 A HA 0.483 4.803 4.320 -0.001 0.000 0.233 2161 A C 1.208 178.741 177.584 -0.084 0.000 1.067 2161 A CA 1.028 53.071 52.037 0.010 0.000 0.763 2161 A CB 0.126 19.185 19.000 0.100 0.000 1.007 2161 A HN 0.502 nan 8.150 nan 0.000 0.506 2162 G N -0.789 107.965 108.800 -0.078 0.000 3.135 2162 G HA2 0.573 4.533 3.960 -0.001 0.000 0.159 2162 G HA3 0.573 4.533 3.960 -0.001 0.000 0.159 2162 G C 0.599 175.305 174.900 -0.323 0.000 1.244 2162 G CA 0.824 45.763 45.100 -0.268 0.000 0.965 2162 G HN 2.100 nan 8.290 nan 0.000 0.599 2163 S N -2.100 113.412 115.700 -0.314 0.000 4.141 2163 S HA -0.237 4.232 4.470 -0.001 0.000 0.622 2163 S C 1.997 176.419 174.600 -0.298 0.000 1.894 2163 S CA 2.065 60.047 58.200 -0.363 0.000 4.238 2163 S CB -1.701 61.019 63.200 -0.799 0.000 0.205 2163 S HN 2.036 nan 8.310 nan 0.000 0.486 2164 G N 0.856 109.420 108.800 -0.394 0.000 2.422 2164 G HA2 0.024 3.983 3.960 -0.001 0.000 0.218 2164 G HA3 0.024 3.983 3.960 -0.001 0.000 0.218 2164 G C 1.526 176.324 174.900 -0.170 0.000 1.140 2164 G CA 1.331 46.288 45.100 -0.238 0.000 0.775 2164 G HN 1.028 nan 8.290 nan 0.000 0.545 2165 V N 1.093 120.877 119.914 -0.218 0.000 2.764 2165 V HA -0.217 3.902 4.120 -0.001 0.000 0.261 2165 V C 2.983 179.008 176.094 -0.115 0.000 1.108 2165 V CA 2.003 64.218 62.300 -0.140 0.000 1.129 2165 V CB -0.675 31.066 31.823 -0.136 0.000 0.701 2165 V HN 0.522 nan 8.190 nan 0.000 0.495 2166 A N -0.432 122.298 122.820 -0.151 0.000 1.920 2166 A HA -0.003 4.317 4.320 -0.001 0.000 0.209 2166 A C 1.921 179.479 177.584 -0.044 0.000 1.229 2166 A CA 1.111 53.030 52.037 -0.196 0.000 0.671 2166 A CB -0.343 18.349 19.000 -0.513 0.000 0.886 2166 A HN 0.479 nan 8.150 nan 0.000 0.461 2167 T N 0.118 114.727 114.554 0.092 0.000 3.500 2167 T HA 0.490 4.839 4.350 -0.001 0.000 0.244 2167 T C 0.098 174.847 174.700 0.082 0.000 0.962 2167 T CA 0.462 62.667 62.100 0.176 0.000 0.932 2167 T CB -0.587 68.381 68.868 0.166 0.000 1.096 2167 T HN 0.268 nan 8.240 nan 0.000 0.617 2168 L N 0.240 121.493 121.223 0.049 0.000 3.119 2168 L HA 0.222 4.561 4.340 -0.001 0.000 0.362 2168 L C 0.916 177.799 176.870 0.023 0.000 1.251 2168 L CA -0.544 54.318 54.840 0.037 0.000 0.931 2168 L CB -0.145 41.926 42.059 0.019 0.000 1.173 2168 L HN 0.416 nan 8.230 nan 0.000 0.547 2169 G N 1.678 110.492 108.800 0.024 0.000 2.410 2169 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.286 2169 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.286 2169 G C 0.354 175.258 174.900 0.007 0.000 0.884 2169 G CA 0.335 45.444 45.100 0.014 0.000 1.130 2169 G HN 0.207 nan 8.290 nan 0.000 0.492 2170 L N 0.233 121.453 121.223 -0.005 0.000 2.439 2170 L HA 0.520 4.859 4.340 -0.001 0.000 0.261 2170 L C -0.516 176.355 176.870 0.002 0.000 1.153 2170 L CA -1.251 53.585 54.840 -0.006 0.000 0.808 2170 L CB 0.196 42.241 42.059 -0.024 0.000 1.126 2170 L HN 0.252 nan 8.230 nan 0.000 0.460 2171 P HA 0.286 nan 4.420 nan 0.000 0.339 2171 P C -0.450 176.867 177.300 0.027 0.000 1.267 2171 P CA -0.345 62.766 63.100 0.018 0.000 0.801 2171 P CB 0.979 32.690 31.700 0.018 0.000 1.860 2172 S N -0.345 115.376 115.700 0.034 0.000 3.149 2172 S HA 0.162 4.631 4.470 -0.001 0.000 0.228 2172 S C 0.424 175.054 174.600 0.051 0.000 1.393 2172 S CA -0.003 58.226 58.200 0.048 0.000 1.224 2172 S CB -1.731 61.496 63.200 0.045 0.000 1.112 2172 S HN 0.563 nan 8.310 nan 0.000 0.502 2173 S N 4.090 119.818 115.700 0.047 0.000 4.130 2173 S HA -0.109 4.360 4.470 -0.001 0.000 0.224 2173 S C -1.737 172.886 174.600 0.038 0.000 0.681 2173 S CA -0.664 57.563 58.200 0.044 0.000 1.328 2173 S CB -0.402 62.838 63.200 0.066 0.000 1.885 2173 S HN 0.429 nan 8.310 nan 0.000 0.366 2174 P HA 0.171 nan 4.420 nan 0.000 0.269 2174 P C 1.307 178.619 177.300 0.021 0.000 1.205 2174 P CA 1.209 64.322 63.100 0.021 0.000 0.780 2174 P CB -0.138 31.571 31.700 0.015 0.000 0.858 2175 G N -0.173 108.638 108.800 0.018 0.000 2.254 2175 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.225 2175 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.225 2175 G C -0.020 174.893 174.900 0.022 0.000 1.003 2175 G CA 0.052 45.162 45.100 0.017 0.000 0.622 2175 G HN 0.734 nan 8.290 nan 0.000 0.507 2176 V N 3.319 123.251 119.914 0.029 0.000 2.322 2176 V HA 0.594 4.714 4.120 -0.001 0.000 0.258 2176 V C -1.730 174.378 176.094 0.023 0.000 1.074 2176 V CA -1.973 60.347 62.300 0.033 0.000 0.909 2176 V CB 0.574 32.427 31.823 0.051 0.000 1.090 2176 V HN 0.139 nan 8.190 nan 0.000 0.486 2177 P HA -0.053 nan 4.420 nan 0.000 0.260 2177 P C 0.381 177.685 177.300 0.007 0.000 1.147 2177 P CA 0.348 63.453 63.100 0.009 0.000 0.758 2177 P CB 0.350 32.052 31.700 0.004 0.000 0.744 2178 K N 3.536 123.940 120.400 0.006 0.000 2.293 2178 K HA -0.216 4.103 4.320 -0.001 0.000 0.204 2178 K C 1.711 178.310 176.600 -0.002 0.000 1.045 2178 K CA 1.587 57.877 56.287 0.004 0.000 0.933 2178 K CB -0.273 32.229 32.500 0.003 0.000 0.736 2178 K HN 0.507 nan 8.250 nan 0.000 0.463 2179 K N 0.534 120.931 120.400 -0.005 0.000 2.098 2179 K HA -0.096 4.224 4.320 -0.001 0.000 0.203 2179 K C 1.934 178.524 176.600 -0.018 0.000 1.051 2179 K CA 1.630 57.909 56.287 -0.012 0.000 0.957 2179 K CB -0.301 32.192 32.500 -0.012 0.000 0.738 2179 K HN 0.232 nan 8.250 nan 0.000 0.447 2180 T N -0.435 114.111 114.554 -0.013 0.000 2.665 2180 T HA -0.166 4.183 4.350 -0.001 0.000 0.268 2180 T C 1.775 176.458 174.700 -0.029 0.000 1.035 2180 T CA 1.923 64.011 62.100 -0.019 0.000 1.151 2180 T CB -1.285 67.579 68.868 -0.007 0.000 0.862 2180 T HN 0.398 nan 8.240 nan 0.000 0.438 2181 T N -0.517 114.029 114.554 -0.014 0.000 3.366 2181 T HA 0.691 5.041 4.350 -0.001 0.000 0.249 2181 T C 1.533 176.217 174.700 -0.026 0.000 1.028 2181 T CA 0.127 62.218 62.100 -0.015 0.000 0.938 2181 T CB -0.148 68.732 68.868 0.019 0.000 1.046 2181 T HN 0.530 nan 8.240 nan 0.000 0.587 2182 A N 1.678 124.476 122.820 -0.036 0.000 2.195 2182 A HA 0.217 4.536 4.320 -0.001 0.000 0.210 2182 A C 1.809 179.357 177.584 -0.059 0.000 1.165 2182 A CA -0.088 51.925 52.037 -0.040 0.000 0.806 2182 A CB -0.017 18.964 19.000 -0.033 0.000 0.847 2182 A HN 0.429 nan 8.150 nan 0.000 0.482 2183 N N 0.629 119.283 118.700 -0.076 0.000 2.279 2183 N HA 0.087 4.827 4.740 -0.001 0.000 0.226 2183 N C -0.889 174.543 175.510 -0.131 0.000 1.126 2183 N CA 0.338 53.328 53.050 -0.100 0.000 0.846 2183 N CB 0.682 39.108 38.487 -0.101 0.000 1.050 2183 N HN 0.164 nan 8.380 nan 0.000 0.502 2184 T N 1.432 115.917 114.554 -0.114 0.000 2.815 2184 T HA 0.395 4.745 4.350 -0.001 0.000 0.289 2184 T C -0.428 174.214 174.700 -0.096 0.000 1.000 2184 T CA -0.492 61.532 62.100 -0.126 0.000 0.958 2184 T CB 1.620 70.428 68.868 -0.100 0.000 0.944 2184 T HN -0.168 nan 8.240 nan 0.000 0.442 2185 L N 3.728 124.873 121.223 -0.130 0.000 2.322 2185 L HA 0.744 5.083 4.340 -0.001 0.000 0.279 2185 L C 0.891 177.685 176.870 -0.127 0.000 1.036 2185 L CA -0.524 54.240 54.840 -0.126 0.000 0.807 2185 L CB 1.328 43.282 42.059 -0.174 0.000 1.226 2185 L HN 0.818 nan 8.230 nan 0.000 0.433 2186 T N -1.376 113.124 114.554 -0.090 0.000 2.916 2186 T HA 0.842 5.191 4.350 -0.001 0.000 0.292 2186 T C -0.315 174.343 174.700 -0.069 0.000 1.055 2186 T CA -0.566 61.482 62.100 -0.086 0.000 1.009 2186 T CB 2.236 71.105 68.868 0.001 0.000 1.118 2186 T HN 0.691 nan 8.240 nan 0.000 0.497 2187 T N 0.947 115.464 114.554 -0.060 0.000 2.843 2187 T HA 0.666 5.015 4.350 -0.001 0.000 0.302 2187 T C -3.139 171.729 174.700 0.280 0.000 1.232 2187 T CA -1.538 60.606 62.100 0.073 0.000 1.009 2187 T CB 1.528 70.433 68.868 0.062 0.000 1.254 2187 T HN 0.510 nan 8.240 nan 0.000 0.504 2188 P HA 0.227 nan 4.420 nan 0.000 0.271 2188 P C -1.228 176.322 177.300 0.415 0.000 1.216 2188 P CA -0.242 63.036 63.100 0.297 0.000 0.776 2188 P CB 0.037 31.830 31.700 0.154 0.000 0.881 2189 Y N 3.195 123.601 120.300 0.177 0.000 2.597 2189 Y HA -0.053 4.496 4.550 -0.001 0.000 0.336 2189 Y C 1.312 176.915 175.900 -0.494 0.000 1.216 2189 Y CA 1.118 59.102 58.100 -0.193 0.000 1.463 2189 Y CB -0.366 37.990 38.460 -0.174 0.000 1.303 2189 Y HN 0.605 nan 8.280 nan 0.000 0.576 2190 N N 1.532 119.132 118.700 -1.834 0.000 2.850 2190 N HA -0.261 4.478 4.740 -0.001 0.000 0.249 2190 N C -1.449 173.611 175.510 -0.752 0.000 1.060 2190 N CA 0.864 52.798 53.050 -1.860 0.000 0.825 2190 N CB -0.698 37.300 38.487 -0.815 0.000 1.132 2190 N HN 0.542 nan 8.380 nan 0.000 0.564 2191 D N 0.887 121.107 120.400 -0.299 0.000 2.479 2191 D HA 0.243 4.882 4.640 -0.001 0.000 0.247 2191 D C 0.997 177.443 176.300 0.244 0.000 1.119 2191 D CA -0.349 53.667 54.000 0.028 0.000 0.922 2191 D CB 0.439 41.292 40.800 0.088 0.000 1.014 2191 D HN 0.190 nan 8.370 nan 0.000 0.510 2192 L N 1.919 123.292 121.223 0.250 0.000 2.093 2192 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 2192 L C 2.132 179.113 176.870 0.186 0.000 1.085 2192 L CA 0.755 55.759 54.840 0.273 0.000 0.755 2192 L CB 0.013 42.198 42.059 0.211 0.000 0.904 2192 L HN 0.292 nan 8.230 nan 0.000 0.435 2193 E N 0.317 120.594 120.200 0.129 0.000 2.077 2193 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 2193 E C 2.285 178.950 176.600 0.109 0.000 0.989 2193 E CA 1.412 57.871 56.400 0.098 0.000 0.800 2193 E CB -0.237 29.501 29.700 0.063 0.000 0.746 2193 E HN 0.458 nan 8.360 nan 0.000 0.452 2194 A N 0.843 123.737 122.820 0.124 0.000 1.972 2194 A HA -0.122 4.198 4.320 -0.001 0.000 0.219 2194 A C 2.587 180.249 177.584 0.130 0.000 1.169 2194 A CA 1.325 53.431 52.037 0.114 0.000 0.635 2194 A CB -0.490 18.585 19.000 0.124 0.000 0.810 2194 A HN 0.141 nan 8.150 nan 0.000 0.446 2195 V N 0.157 120.190 119.914 0.198 0.000 2.358 2195 V HA -0.254 3.866 4.120 -0.001 0.000 0.246 2195 V C 2.382 178.642 176.094 0.277 0.000 1.047 2195 V CA 2.269 64.707 62.300 0.232 0.000 1.035 2195 V CB -0.684 31.336 31.823 0.330 0.000 0.658 2195 V HN 0.555 nan 8.190 nan 0.000 0.452 2196 K N 0.723 121.249 120.400 0.209 0.000 2.057 2196 K HA -0.116 4.204 4.320 -0.001 0.000 0.207 2196 K C 2.330 179.021 176.600 0.153 0.000 1.049 2196 K CA 1.484 57.876 56.287 0.174 0.000 0.931 2196 K CB -0.475 32.091 32.500 0.111 0.000 0.714 2196 K HN 0.456 nan 8.250 nan 0.000 0.440 2197 A N 1.649 124.534 122.820 0.109 0.000 1.908 2197 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 2197 A C 2.147 179.756 177.584 0.042 0.000 1.181 2197 A CA 1.296 53.374 52.037 0.067 0.000 0.627 2197 A CB -0.684 18.346 19.000 0.050 0.000 0.818 2197 A HN 0.163 nan 8.150 nan 0.000 0.445 2198 L N -2.243 118.996 121.223 0.025 0.000 2.083 2198 L HA -0.174 4.166 4.340 -0.001 0.000 0.209 2198 L C 2.498 179.283 176.870 -0.142 0.000 1.083 2198 L CA 1.315 56.106 54.840 -0.081 0.000 0.752 2198 L CB -0.564 41.402 42.059 -0.155 0.000 0.899 2198 L HN 0.389 nan 8.230 nan 0.000 0.433 2199 F N 0.006 119.864 119.950 -0.154 0.000 2.113 2199 F HA -0.179 4.347 4.527 -0.001 0.000 0.297 2199 F C 2.641 178.335 175.800 -0.177 0.000 1.103 2199 F CA 1.284 59.125 58.000 -0.265 0.000 1.248 2199 F CB -0.601 38.041 39.000 -0.596 0.000 0.999 2199 F HN -0.008 nan 8.300 nan 0.000 0.475 2200 A N -0.019 122.853 122.820 0.085 0.000 1.940 2200 A HA -0.211 4.109 4.320 -0.001 0.000 0.219 2200 A C 1.904 179.506 177.584 0.029 0.000 1.176 2200 A CA 1.879 53.955 52.037 0.066 0.000 0.631 2200 A CB -0.749 18.291 19.000 0.068 0.000 0.814 2200 A HN 0.501 nan 8.150 nan 0.000 0.446 2201 E N -0.217 119.984 120.200 0.001 0.000 2.481 2201 E HA 0.022 4.371 4.350 -0.001 0.000 0.195 2201 E C -0.389 176.189 176.600 -0.037 0.000 1.047 2201 E CA 0.187 56.577 56.400 -0.016 0.000 0.867 2201 E CB 0.052 29.737 29.700 -0.025 0.000 0.858 2201 E HN 0.546 nan 8.360 nan 0.000 0.513 2202 N N 1.537 120.205 118.700 -0.054 0.000 2.664 2202 N HA 0.110 4.849 4.740 -0.001 0.000 0.287 2202 N C -2.802 172.678 175.510 -0.049 0.000 1.869 2202 N CA -0.823 52.183 53.050 -0.074 0.000 0.832 2202 N CB 1.252 39.656 38.487 -0.138 0.000 1.293 2202 N HN 0.041 nan 8.380 nan 0.000 0.498 2203 P HA 0.038 nan 4.420 nan 0.000 0.261 2203 P C 0.937 178.261 177.300 0.040 0.000 1.203 2203 P CA 1.098 64.228 63.100 0.051 0.000 0.767 2203 P CB 0.384 32.120 31.700 0.059 0.000 0.785 2204 G N 3.465 112.304 108.800 0.065 0.000 2.143 2204 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.249 2204 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.249 2204 G C 0.501 175.403 174.900 0.005 0.000 0.981 2204 G CA 0.116 45.243 45.100 0.045 0.000 0.665 2204 G HN 0.581 nan 8.290 nan 0.000 0.528 2205 E N -0.830 119.353 120.200 -0.028 0.000 2.539 2205 E HA 0.226 4.576 4.350 -0.001 0.000 0.215 2205 E C 0.477 177.015 176.600 -0.103 0.000 0.965 2205 E CA -0.419 55.943 56.400 -0.063 0.000 1.019 2205 E CB 0.792 30.446 29.700 -0.077 0.000 1.059 2205 E HN 0.427 nan 8.360 nan 0.000 0.496 2206 I N 1.854 122.346 120.570 -0.129 0.000 2.291 2206 I HA 0.148 4.318 4.170 -0.001 0.000 0.292 2206 I C 1.279 177.358 176.117 -0.063 0.000 1.064 2206 I CA -0.059 61.119 61.300 -0.203 0.000 1.269 2206 I CB 0.555 38.234 38.000 -0.535 0.000 1.418 2206 I HN -0.015 nan 8.210 nan 0.000 0.485 2207 A N 5.296 128.076 122.820 -0.067 0.000 1.969 2207 A HA 0.331 4.650 4.320 -0.001 0.000 0.218 2207 A C 1.163 178.766 177.584 0.032 0.000 1.169 2207 A CA 1.357 53.389 52.037 -0.009 0.000 0.635 2207 A CB -0.175 18.803 19.000 -0.037 0.000 0.810 2207 A HN 0.896 nan 8.150 nan 0.000 0.445 2208 G N -3.363 105.434 108.800 -0.006 0.000 2.317 2208 G HA2 0.420 4.380 3.960 -0.001 0.000 0.293 2208 G HA3 0.420 4.380 3.960 -0.001 0.000 0.293 2208 G C -1.645 173.265 174.900 0.018 0.000 1.287 2208 G CA -0.047 45.089 45.100 0.060 0.000 0.850 2208 G HN 0.545 nan 8.290 nan 0.000 0.515 2209 V N 0.821 120.791 119.914 0.094 0.000 2.448 2209 V HA 0.697 4.817 4.120 -0.001 0.000 0.295 2209 V C -0.128 176.048 176.094 0.137 0.000 1.025 2209 V CA -0.638 61.719 62.300 0.095 0.000 0.859 2209 V CB 1.404 33.349 31.823 0.204 0.000 0.988 2209 V HN 0.794 nan 8.190 nan 0.000 0.431 2210 I N 6.897 127.530 120.570 0.105 0.000 2.530 2210 I HA 0.829 4.998 4.170 -0.001 0.000 0.297 2210 I C -1.092 175.193 176.117 0.280 0.000 1.011 2210 I CA -0.657 60.723 61.300 0.134 0.000 1.107 2210 I CB 1.604 39.585 38.000 -0.032 0.000 1.285 2210 I HN 0.765 nan 8.210 nan 0.000 0.436 2211 L N 3.064 124.523 121.223 0.394 0.000 2.869 2211 L HA 0.568 4.907 4.340 -0.001 0.000 0.265 2211 L C -1.649 175.435 176.870 0.356 0.000 1.011 2211 L CA -0.985 54.193 54.840 0.563 0.000 0.913 2211 L CB 1.874 44.288 42.059 0.592 0.000 1.490 2211 L HN 0.495 nan 8.230 nan 0.000 0.410 2212 E N 2.652 123.013 120.200 0.269 0.000 2.152 2212 E HA 0.223 4.573 4.350 -0.001 0.000 0.285 2212 E C -1.766 174.826 176.600 -0.013 0.000 1.043 2212 E CA -1.692 54.742 56.400 0.058 0.000 0.839 2212 E CB 1.229 30.901 29.700 -0.045 0.000 1.069 2212 E HN 0.471 nan 8.360 nan 0.000 0.399 2213 P HA -0.161 nan 4.420 nan 0.000 0.218 2213 P C 0.165 177.427 177.300 -0.063 0.000 1.146 2213 P CA 1.365 64.223 63.100 -0.404 0.000 0.813 2213 P CB 0.597 31.849 31.700 -0.748 0.000 0.778 2214 I N -0.561 119.967 120.570 -0.069 0.000 2.534 2214 I HA 0.167 4.337 4.170 -0.001 0.000 0.288 2214 I C -0.283 175.737 176.117 -0.162 0.000 1.077 2214 I CA -1.210 60.040 61.300 -0.084 0.000 1.051 2214 I CB 3.191 41.142 38.000 -0.081 0.000 1.234 2214 I HN -0.390 nan 8.210 nan 0.000 0.425 2215 V N 5.122 124.838 119.914 -0.331 0.000 2.649 2215 V HA 0.385 4.505 4.120 -0.001 0.000 0.292 2215 V C 1.015 177.003 176.094 -0.177 0.000 1.055 2215 V CA 0.275 62.372 62.300 -0.338 0.000 1.023 2215 V CB 1.294 32.768 31.823 -0.582 0.000 0.992 2215 V HN 1.041 nan 8.190 nan 0.000 0.480 2216 G N 1.755 110.521 108.800 -0.056 0.000 2.989 2216 G HA2 0.017 3.976 3.960 -0.001 0.000 0.221 2216 G HA3 0.017 3.976 3.960 -0.001 0.000 0.221 2216 G C 0.639 175.565 174.900 0.044 0.000 1.050 2216 G CA -0.159 44.974 45.100 0.056 0.000 0.913 2216 G HN 0.578 nan 8.290 nan 0.000 0.587 2217 N N 1.111 119.802 118.700 -0.015 0.000 2.280 2217 N HA 0.024 4.764 4.740 -0.001 0.000 0.192 2217 N C 1.149 176.636 175.510 -0.039 0.000 1.109 2217 N CA 0.850 53.880 53.050 -0.034 0.000 0.855 2217 N CB 0.788 39.226 38.487 -0.082 0.000 0.974 2217 N HN 0.373 nan 8.380 nan 0.000 0.482 2218 S N -0.964 114.752 115.700 0.026 0.000 2.902 2218 S HA 0.517 4.987 4.470 -0.001 0.000 0.250 2218 S C 0.542 175.406 174.600 0.440 0.000 1.046 2218 S CA -0.021 58.294 58.200 0.191 0.000 1.069 2218 S CB 0.553 63.761 63.200 0.013 0.000 0.967 2218 S HN 0.336 nan 8.310 nan 0.000 0.530 2219 G N 1.420 110.408 108.800 0.313 0.000 2.710 2219 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.668 2219 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.668 2219 G C -0.790 174.265 174.900 0.258 0.000 1.320 2219 G CA -0.658 44.605 45.100 0.272 0.000 0.860 2219 G HN 0.808 nan 8.290 nan 0.000 0.538 2220 F N 0.781 120.749 119.950 0.030 0.000 2.472 2220 F HA 0.724 5.251 4.527 -0.001 0.000 0.364 2220 F C 0.692 176.597 175.800 0.174 0.000 1.090 2220 F CA -0.632 57.380 58.000 0.020 0.000 1.188 2220 F CB 0.272 39.210 39.000 -0.103 0.000 1.105 2220 F HN 0.440 nan 8.300 nan 0.000 0.536 2221 I N 7.213 127.462 120.570 -0.536 0.000 2.548 2221 I HA 0.247 4.416 4.170 -0.001 0.000 0.287 2221 I C -1.075 174.741 176.117 -0.502 0.000 1.103 2221 I CA -0.941 60.109 61.300 -0.417 0.000 1.049 2221 I CB 1.831 39.653 38.000 -0.296 0.000 1.232 2221 I HN 0.174 nan 8.210 nan 0.000 0.429 2222 V N 7.184 126.883 119.914 -0.359 0.000 2.743 2222 V HA 0.393 4.512 4.120 -0.001 0.000 0.301 2222 V C -1.924 174.208 176.094 0.064 0.000 1.057 2222 V CA -1.520 60.702 62.300 -0.129 0.000 1.006 2222 V CB 1.568 33.372 31.823 -0.031 0.000 1.024 2222 V HN 0.572 nan 8.190 nan 0.000 0.473 2223 P HA 0.183 nan 4.420 nan 0.000 0.275 2223 P C -0.829 176.495 177.300 0.040 0.000 1.227 2223 P CA -0.409 62.791 63.100 0.165 0.000 0.781 2223 P CB 0.744 32.628 31.700 0.307 0.000 0.906 2224 D N 0.812 121.196 120.400 -0.026 0.000 2.362 2224 D HA 0.169 4.808 4.640 -0.001 0.000 0.238 2224 D C 0.594 176.904 176.300 0.016 0.000 1.212 2224 D CA 0.221 54.221 54.000 -0.002 0.000 0.902 2224 D CB 0.328 41.130 40.800 0.003 0.000 1.180 2224 D HN 0.377 nan 8.370 nan 0.000 0.445 2225 A N 0.010 122.826 122.820 -0.007 0.000 2.546 2225 A HA 0.433 4.753 4.320 -0.001 0.000 0.243 2225 A C 1.427 179.023 177.584 0.019 0.000 1.063 2225 A CA 0.621 52.644 52.037 -0.023 0.000 0.757 2225 A CB -0.341 18.643 19.000 -0.026 0.000 0.991 2225 A HN 0.808 nan 8.150 nan 0.000 0.503 2226 G N 1.284 110.094 108.800 0.018 0.000 2.205 2226 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.261 2226 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.261 2226 G C 0.803 175.756 174.900 0.089 0.000 0.980 2226 G CA 0.970 46.094 45.100 0.040 0.000 0.632 2226 G HN 1.280 nan 8.290 nan 0.000 0.533 2227 F N 1.294 121.203 119.950 -0.069 0.000 2.084 2227 F HA 0.197 4.724 4.527 -0.001 0.000 0.296 2227 F C 2.566 178.328 175.800 -0.063 0.000 1.111 2227 F CA 2.106 60.046 58.000 -0.101 0.000 1.224 2227 F CB -0.543 38.337 39.000 -0.200 0.000 0.991 2227 F HN 0.180 nan 8.300 nan 0.000 0.471 2228 L N -0.161 120.971 121.223 -0.150 0.000 2.046 2228 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 2228 L C 2.334 179.168 176.870 -0.062 0.000 1.077 2228 L CA 1.641 56.385 54.840 -0.160 0.000 0.747 2228 L CB -0.842 41.266 42.059 0.082 0.000 0.896 2228 L HN 0.119 nan 8.230 nan 0.000 0.432 2229 E N 0.414 120.606 120.200 -0.015 0.000 2.051 2229 E HA -0.162 4.187 4.350 -0.001 0.000 0.192 2229 E C 2.199 178.781 176.600 -0.030 0.000 0.991 2229 E CA 1.318 57.716 56.400 -0.003 0.000 0.799 2229 E CB -0.597 29.106 29.700 0.006 0.000 0.748 2229 E HN 0.463 nan 8.360 nan 0.000 0.449 2230 G N 0.740 109.513 108.800 -0.045 0.000 2.446 2230 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.217 2230 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.217 2230 G C 1.534 176.396 174.900 -0.063 0.000 1.168 2230 G CA 0.820 45.897 45.100 -0.038 0.000 0.771 2230 G HN 0.152 nan 8.290 nan 0.000 0.551 2231 L N -0.204 120.934 121.223 -0.141 0.000 2.042 2231 L HA -0.089 4.250 4.340 -0.001 0.000 0.210 2231 L C 2.950 179.807 176.870 -0.022 0.000 1.076 2231 L CA 1.185 55.971 54.840 -0.090 0.000 0.749 2231 L CB -0.388 41.562 42.059 -0.183 0.000 0.893 2231 L HN 0.135 nan 8.230 nan 0.000 0.432 2232 R N 0.785 121.272 120.500 -0.021 0.000 2.073 2232 R HA -0.200 4.139 4.340 -0.001 0.000 0.234 2232 R C 2.052 178.333 176.300 -0.032 0.000 1.134 2232 R CA 1.871 57.962 56.100 -0.015 0.000 0.952 2232 R CB -0.551 29.741 30.300 -0.014 0.000 0.850 2232 R HN 0.440 nan 8.270 nan 0.000 0.433 2233 E N 0.041 120.218 120.200 -0.039 0.000 2.023 2233 E HA -0.195 4.154 4.350 -0.001 0.000 0.196 2233 E C 2.052 178.604 176.600 -0.079 0.000 1.003 2233 E CA 1.977 58.346 56.400 -0.052 0.000 0.809 2233 E CB -0.347 29.328 29.700 -0.043 0.000 0.755 2233 E HN 0.523 nan 8.360 nan 0.000 0.449 2234 I N 0.012 120.530 120.570 -0.085 0.000 2.315 2234 I HA -0.192 3.978 4.170 -0.001 0.000 0.248 2234 I C 2.410 178.416 176.117 -0.184 0.000 1.117 2234 I CA 1.899 63.113 61.300 -0.143 0.000 1.404 2234 I CB -0.685 37.216 38.000 -0.165 0.000 1.071 2234 I HN 0.147 nan 8.210 nan 0.000 0.419 2235 T N 0.233 114.723 114.554 -0.106 0.000 2.788 2235 T HA -0.103 4.247 4.350 -0.001 0.000 0.268 2235 T C 1.966 176.661 174.700 -0.009 0.000 1.044 2235 T CA 1.523 63.614 62.100 -0.015 0.000 1.139 2235 T CB -0.927 67.990 68.868 0.082 0.000 0.867 2235 T HN 0.454 nan 8.240 nan 0.000 0.454 2236 L N 1.000 122.199 121.223 -0.040 0.000 2.046 2236 L HA -0.062 4.277 4.340 -0.001 0.000 0.208 2236 L C 3.072 179.889 176.870 -0.089 0.000 1.077 2236 L CA 1.941 56.754 54.840 -0.044 0.000 0.747 2236 L CB -0.598 41.431 42.059 -0.049 0.000 0.896 2236 L HN 0.449 nan 8.230 nan 0.000 0.432 2237 E N 0.118 120.216 120.200 -0.169 0.000 2.058 2237 E HA -0.262 4.088 4.350 -0.001 0.000 0.194 2237 E C 1.227 177.582 176.600 -0.408 0.000 0.997 2237 E CA 1.654 57.862 56.400 -0.320 0.000 0.801 2237 E CB -0.002 29.418 29.700 -0.467 0.000 0.746 2237 E HN 0.609 nan 8.360 nan 0.000 0.450 2238 H N 0.388 119.366 119.070 -0.152 0.000 2.537 2238 H HA 0.152 4.708 4.556 -0.001 0.000 0.295 2238 H C -0.543 174.805 175.328 0.032 0.000 1.054 2238 H CA 0.426 56.440 56.048 -0.057 0.000 1.156 2238 H CB 0.351 30.074 29.762 -0.065 0.000 1.468 2238 H HN 0.159 nan 8.280 nan 0.000 0.551 2239 D N -0.086 120.357 120.400 0.071 0.000 2.751 2239 D HA -0.183 4.456 4.640 -0.001 0.000 0.233 2239 D C 0.113 176.495 176.300 0.137 0.000 1.149 2239 D CA 0.966 55.016 54.000 0.083 0.000 0.682 2239 D CB -1.151 39.685 40.800 0.060 0.000 1.068 2239 D HN 0.581 nan 8.370 nan 0.000 0.429 2240 A N -0.303 122.623 122.820 0.176 0.000 2.299 2240 A HA 0.667 4.986 4.320 -0.001 0.000 0.332 2240 A C -0.014 177.662 177.584 0.154 0.000 1.131 2240 A CA -0.594 51.570 52.037 0.211 0.000 0.844 2240 A CB 1.171 20.400 19.000 0.382 0.000 1.251 2240 A HN 0.077 nan 8.150 nan 0.000 0.486 2241 L N 0.420 121.723 121.223 0.133 0.000 2.357 2241 L HA 0.489 4.829 4.340 -0.001 0.000 0.273 2241 L C -0.344 176.573 176.870 0.078 0.000 1.080 2241 L CA -0.218 54.669 54.840 0.079 0.000 0.803 2241 L CB 1.250 43.340 42.059 0.050 0.000 1.174 2241 L HN 0.625 nan 8.230 nan 0.000 0.443 2242 L N 3.700 124.945 121.223 0.037 0.000 2.298 2242 L HA 0.620 4.960 4.340 -0.001 0.000 0.284 2242 L C -0.960 175.931 176.870 0.034 0.000 1.013 2242 L CA -0.165 54.712 54.840 0.062 0.000 0.824 2242 L CB 1.466 43.533 42.059 0.013 0.000 1.221 2242 L HN 0.269 nan 8.230 nan 0.000 0.418 2243 V N 5.828 125.828 119.914 0.142 0.000 2.448 2243 V HA 0.461 4.581 4.120 -0.001 0.000 0.295 2243 V C -0.626 175.709 176.094 0.401 0.000 1.025 2243 V CA -0.480 61.915 62.300 0.158 0.000 0.859 2243 V CB 1.415 33.294 31.823 0.094 0.000 0.988 2243 V HN 0.452 nan 8.190 nan 0.000 0.431 2244 F N 2.822 122.810 119.950 0.064 0.000 2.410 2244 F HA 0.395 4.921 4.527 -0.001 0.000 0.349 2244 F C 0.474 176.337 175.800 0.104 0.000 1.117 2244 F CA -1.579 56.474 58.000 0.088 0.000 1.104 2244 F CB 1.295 40.323 39.000 0.047 0.000 1.122 2244 F HN 0.488 nan 8.300 nan 0.000 0.483 2245 D N 3.827 124.402 120.400 0.291 0.000 2.441 2245 D HA 0.080 4.719 4.640 -0.001 0.000 0.221 2245 D C -0.001 176.393 176.300 0.156 0.000 1.156 2245 D CA 0.111 54.256 54.000 0.240 0.000 0.896 2245 D CB 0.327 41.340 40.800 0.355 0.000 1.028 2245 D HN 0.582 nan 8.370 nan 0.000 0.509 2246 E N 2.983 123.271 120.200 0.146 0.000 2.511 2246 E HA 0.067 4.417 4.350 -0.001 0.000 0.214 2246 E C 1.434 178.099 176.600 0.107 0.000 1.062 2246 E CA -0.188 56.273 56.400 0.102 0.000 1.213 2246 E CB 1.081 30.830 29.700 0.082 0.000 1.214 2246 E HN 0.320 nan 8.360 nan 0.000 0.441 2247 V N 0.488 120.468 119.914 0.110 0.000 2.343 2247 V HA -0.255 3.864 4.120 -0.001 0.000 0.247 2247 V C 2.013 178.173 176.094 0.109 0.000 1.051 2247 V CA 1.612 63.979 62.300 0.111 0.000 1.036 2247 V CB -0.187 31.691 31.823 0.091 0.000 0.654 2247 V HN 0.420 nan 8.190 nan 0.000 0.451 2248 I N 0.191 120.828 120.570 0.110 0.000 2.385 2248 I HA -0.123 4.046 4.170 -0.001 0.000 0.244 2248 I C 2.695 178.888 176.117 0.127 0.000 1.089 2248 I CA 1.620 62.993 61.300 0.123 0.000 1.410 2248 I CB -0.575 37.554 38.000 0.215 0.000 1.117 2248 I HN 0.448 nan 8.210 nan 0.000 0.429 2249 T N -0.709 113.916 114.554 0.118 0.000 2.915 2249 T HA -0.007 4.342 4.350 -0.001 0.000 0.269 2249 T C 1.332 176.062 174.700 0.050 0.000 1.071 2249 T CA 0.451 62.606 62.100 0.091 0.000 1.132 2249 T CB -1.140 67.746 68.868 0.029 0.000 0.878 2249 T HN 0.316 nan 8.240 nan 0.000 0.479 2250 G N 0.470 109.298 108.800 0.048 0.000 2.225 2250 G HA2 0.323 4.282 3.960 -0.001 0.000 0.245 2250 G HA3 0.323 4.282 3.960 -0.001 0.000 0.245 2250 G C -0.038 174.928 174.900 0.111 0.000 1.249 2250 G CA -0.448 44.629 45.100 -0.039 0.000 0.919 2250 G HN 0.424 nan 8.290 nan 0.000 0.486 2251 F N -0.655 119.298 119.950 0.005 0.000 2.825 2251 F HA -0.269 4.258 4.527 -0.000 0.000 0.358 2251 F C 1.916 177.877 175.800 0.268 0.000 0.639 2251 F CA 1.547 59.598 58.000 0.085 0.000 1.153 2251 F CB -1.065 37.956 39.000 0.035 0.000 1.610 2251 F HN 0.591 nan 8.300 nan 0.000 0.305 2252 R N 0.282 120.964 120.500 0.304 0.000 2.144 2252 R HA 0.215 4.555 4.340 -0.001 0.000 0.195 2252 R C 2.008 178.504 176.300 0.327 0.000 1.077 2252 R CA 0.500 56.800 56.100 0.334 0.000 1.120 2252 R CB 0.067 30.498 30.300 0.220 0.000 1.060 2252 R HN 0.196 nan 8.270 nan 0.000 0.520 2253 I N 1.399 122.060 120.570 0.150 0.000 2.394 2253 I HA 0.048 4.217 4.170 -0.001 0.000 0.251 2253 I C 0.856 176.944 176.117 -0.049 0.000 1.136 2253 I CA 1.108 62.445 61.300 0.062 0.000 1.425 2253 I CB -0.671 37.291 38.000 -0.063 0.000 1.079 2253 I HN 0.327 nan 8.210 nan 0.000 0.425 2254 A N -2.098 120.592 122.820 -0.217 0.000 2.544 2254 A HA 0.281 4.600 4.320 -0.001 0.000 0.291 2254 A C 0.061 177.272 177.584 -0.622 0.000 1.055 2254 A CA -0.566 51.086 52.037 -0.642 0.000 0.651 2254 A CB -0.240 18.543 19.000 -0.361 0.000 1.296 2254 A HN 0.037 nan 8.150 nan 0.000 0.431 2255 Y N 0.830 120.606 120.300 -0.874 0.000 2.207 2255 Y HA 0.010 4.560 4.550 -0.001 0.000 0.287 2255 Y C 2.001 177.688 175.900 -0.354 0.000 1.156 2255 Y CA 3.043 60.973 58.100 -0.282 0.000 1.182 2255 Y CB 0.053 38.478 38.460 -0.057 0.000 0.979 2255 Y HN 0.742 nan 8.280 nan 0.000 0.521 2256 G N -0.780 107.854 108.800 -0.275 0.000 3.284 2256 G HA2 0.404 4.363 3.960 -0.001 0.000 0.236 2256 G HA3 0.404 4.363 3.960 -0.001 0.000 0.236 2256 G C 0.676 175.376 174.900 -0.333 0.000 1.158 2256 G CA 0.276 45.183 45.100 -0.321 0.000 0.774 2256 G HN 0.784 nan 8.290 nan 0.000 0.545 2257 G N -0.642 107.938 108.800 -0.367 0.000 2.752 2257 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.234 2257 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.234 2257 G C 1.017 175.798 174.900 -0.200 0.000 1.367 2257 G CA -0.226 44.719 45.100 -0.257 0.000 0.879 2257 G HN 0.583 nan 8.290 nan 0.000 0.563 2258 V N 1.430 121.236 119.914 -0.180 0.000 2.332 2258 V HA -0.273 3.847 4.120 -0.001 0.000 0.248 2258 V C 3.094 179.134 176.094 -0.090 0.000 1.055 2258 V CA 3.265 65.390 62.300 -0.292 0.000 1.038 2258 V CB -0.889 30.752 31.823 -0.303 0.000 0.651 2258 V HN 0.892 nan 8.190 nan 0.000 0.450 2259 Q N 0.601 120.479 119.800 0.130 0.000 2.135 2259 Q HA -0.312 4.027 4.340 -0.001 0.000 0.204 2259 Q C 2.127 178.171 176.000 0.073 0.000 0.981 2259 Q CA 2.333 58.267 55.803 0.218 0.000 0.856 2259 Q CB -0.480 28.334 28.738 0.126 0.000 0.902 2259 Q HN 0.796 nan 8.270 nan 0.000 0.425 2260 E N 1.367 121.559 120.200 -0.013 0.000 2.051 2260 E HA -0.164 4.185 4.350 -0.001 0.000 0.189 2260 E C 2.118 178.723 176.600 0.008 0.000 0.979 2260 E CA 0.761 57.149 56.400 -0.020 0.000 0.803 2260 E CB 0.053 29.713 29.700 -0.067 0.000 0.761 2260 E HN 0.333 nan 8.360 nan 0.000 0.451 2261 K N -0.245 120.125 120.400 -0.050 0.000 2.057 2261 K HA -0.100 4.219 4.320 -0.001 0.000 0.207 2261 K C 1.618 178.387 176.600 0.281 0.000 1.049 2261 K CA 1.387 57.680 56.287 0.010 0.000 0.931 2261 K CB -0.115 32.288 32.500 -0.161 0.000 0.714 2261 K HN 0.229 nan 8.250 nan 0.000 0.440 2262 F N -0.132 119.849 119.950 0.051 0.000 2.727 2262 F HA 0.160 4.687 4.527 -0.001 0.000 0.302 2262 F C 1.085 176.920 175.800 0.058 0.000 1.097 2262 F CA -0.126 57.909 58.000 0.059 0.000 1.330 2262 F CB 0.710 39.753 39.000 0.071 0.000 1.084 2262 F HN 0.265 nan 8.300 nan 0.000 0.578 2263 G N 1.900 110.834 108.800 0.224 0.000 2.273 2263 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.280 2263 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.280 2263 G C -0.486 174.482 174.900 0.114 0.000 1.047 2263 G CA 0.030 45.208 45.100 0.130 0.000 0.869 2263 G HN 0.178 nan 8.290 nan 0.000 0.502 2264 V N 0.413 120.416 119.914 0.150 0.000 2.443 2264 V HA 0.555 4.674 4.120 -0.001 0.000 0.293 2264 V C 0.346 176.428 176.094 -0.020 0.000 1.021 2264 V CA -0.414 61.951 62.300 0.108 0.000 0.848 2264 V CB 1.995 33.958 31.823 0.234 0.000 0.998 2264 V HN 0.323 nan 8.190 nan 0.000 0.424 2265 T N 8.073 122.559 114.554 -0.113 0.000 2.733 2265 T HA 0.401 4.750 4.350 -0.001 0.000 0.294 2265 T C -2.201 172.286 174.700 -0.355 0.000 0.956 2265 T CA -0.855 61.114 62.100 -0.219 0.000 0.987 2265 T CB 1.475 70.266 68.868 -0.129 0.000 0.920 2265 T HN 0.512 nan 8.240 nan 0.000 0.470 2266 P HA 0.374 nan 4.420 nan 0.000 0.293 2266 P C -0.038 177.078 177.300 -0.306 0.000 1.304 2266 P CA -0.447 62.295 63.100 -0.596 0.000 0.767 2266 P CB 1.346 32.424 31.700 -1.037 0.000 1.247 2267 D N -1.233 119.040 120.400 -0.212 0.000 2.301 2267 D HA 0.146 4.786 4.640 -0.001 0.000 0.206 2267 D C 0.271 176.486 176.300 -0.141 0.000 0.979 2267 D CA 1.020 54.927 54.000 -0.155 0.000 0.874 2267 D CB 0.282 41.008 40.800 -0.125 0.000 0.968 2267 D HN 0.070 nan 8.370 nan 0.000 0.510 2268 L N -0.131 121.022 121.223 -0.118 0.000 2.466 2268 L HA 0.371 4.710 4.340 -0.001 0.000 0.258 2268 L C -0.560 176.301 176.870 -0.015 0.000 0.973 2268 L CA -0.564 54.242 54.840 -0.057 0.000 0.826 2268 L CB 2.228 44.268 42.059 -0.031 0.000 1.372 2268 L HN -0.141 nan 8.230 nan 0.000 0.409 2269 T N -1.056 113.516 114.554 0.031 0.000 2.956 2269 T HA 0.766 5.115 4.350 -0.001 0.000 0.312 2269 T C -0.633 174.138 174.700 0.117 0.000 1.151 2269 T CA -0.137 62.017 62.100 0.091 0.000 1.024 2269 T CB 1.604 70.518 68.868 0.077 0.000 1.140 2269 T HN 0.752 nan 8.240 nan 0.000 0.473 2270 T N 2.273 116.914 114.554 0.145 0.000 2.902 2270 T HA 0.797 5.146 4.350 -0.001 0.000 0.283 2270 T C -0.215 174.571 174.700 0.143 0.000 1.009 2270 T CA -0.837 61.355 62.100 0.152 0.000 1.051 2270 T CB 0.937 69.888 68.868 0.138 0.000 0.999 2270 T HN 0.678 nan 8.240 nan 0.000 0.474 2271 L N 0.826 122.140 121.223 0.152 0.000 2.327 2271 L HA 0.903 5.243 4.340 -0.001 0.000 0.258 2271 L C 0.579 177.543 176.870 0.158 0.000 1.024 2271 L CA -0.919 54.023 54.840 0.170 0.000 0.825 2271 L CB 2.324 44.513 42.059 0.215 0.000 1.386 2271 L HN 1.084 nan 8.230 nan 0.000 0.417 2272 G N -0.780 108.114 108.800 0.156 0.000 2.435 2272 G HA2 0.326 4.285 3.960 -0.001 0.000 0.296 2272 G HA3 0.326 4.285 3.960 -0.001 0.000 0.296 2272 G C -0.769 174.191 174.900 0.100 0.000 1.240 2272 G CA -0.093 45.079 45.100 0.120 0.000 0.872 2272 G HN 0.532 nan 8.290 nan 0.000 0.480 2273 K N -1.093 119.353 120.400 0.075 0.000 4.822 2273 K HA -0.352 3.968 4.320 -0.001 0.000 0.252 2273 K C 2.097 178.711 176.600 0.024 0.000 0.687 2273 K CA 2.367 58.685 56.287 0.051 0.000 0.808 2273 K CB -1.327 31.194 32.500 0.035 0.000 0.777 2273 K HN 0.375 nan 8.250 nan 0.000 0.840 2274 I N 1.617 122.200 120.570 0.022 0.000 2.236 2274 I HA -0.286 3.883 4.170 -0.001 0.000 0.249 2274 I C 2.366 178.423 176.117 -0.100 0.000 1.102 2274 I CA 2.068 63.357 61.300 -0.017 0.000 1.365 2274 I CB -0.570 37.457 38.000 0.044 0.000 1.051 2274 I HN 0.393 nan 8.210 nan 0.000 0.420 2275 I N -1.461 119.045 120.570 -0.106 0.000 2.850 2275 I HA -0.060 4.110 4.170 -0.001 0.000 0.266 2275 I C 2.054 178.104 176.117 -0.112 0.000 1.257 2275 I CA 1.408 62.600 61.300 -0.179 0.000 1.465 2275 I CB -0.862 37.098 38.000 -0.067 0.000 1.091 2275 I HN 0.114 nan 8.210 nan 0.000 0.467 2276 G N 0.461 109.224 108.800 -0.060 0.000 2.986 2276 G HA2 0.300 4.259 3.960 -0.001 0.000 0.213 2276 G HA3 0.300 4.259 3.960 -0.001 0.000 0.213 2276 G C 1.381 176.251 174.900 -0.051 0.000 1.156 2276 G CA 0.261 45.329 45.100 -0.053 0.000 0.763 2276 G HN 0.649 nan 8.290 nan 0.000 0.547 2277 G N -0.481 108.287 108.800 -0.054 0.000 2.212 2277 G HA2 0.150 4.110 3.960 -0.001 0.000 0.267 2277 G HA3 0.150 4.110 3.960 -0.001 0.000 0.267 2277 G C 1.199 176.100 174.900 0.001 0.000 1.002 2277 G CA 1.338 46.414 45.100 -0.039 0.000 0.729 2277 G HN 1.842 nan 8.290 nan 0.000 0.517 2278 G N -2.842 105.968 108.800 0.018 0.000 2.255 2278 G HA2 0.048 4.008 3.960 -0.001 0.000 0.196 2278 G HA3 0.048 4.008 3.960 -0.001 0.000 0.196 2278 G C 0.115 175.042 174.900 0.045 0.000 0.998 2278 G CA 0.262 45.393 45.100 0.052 0.000 0.656 2278 G HN 1.081 nan 8.290 nan 0.000 0.490 2279 L N 1.254 122.488 121.223 0.017 0.000 2.352 2279 L HA 0.658 4.998 4.340 -0.001 0.000 0.269 2279 L C -2.158 174.720 176.870 0.014 0.000 1.034 2279 L CA -2.252 52.594 54.840 0.010 0.000 0.806 2279 L CB 0.969 43.017 42.059 -0.018 0.000 1.244 2279 L HN -0.184 nan 8.230 nan 0.000 0.447 2280 P HA 0.193 nan 4.420 nan 0.000 0.264 2280 P C -1.293 176.020 177.300 0.020 0.000 1.236 2280 P CA 0.191 63.309 63.100 0.030 0.000 0.811 2280 P CB 0.359 32.079 31.700 0.034 0.000 0.840 2281 V N 3.272 123.205 119.914 0.033 0.000 2.932 2281 V HA 0.832 4.952 4.120 -0.001 0.000 0.307 2281 V C 0.304 176.450 176.094 0.087 0.000 1.147 2281 V CA -0.532 61.793 62.300 0.041 0.000 0.951 2281 V CB 2.449 34.270 31.823 -0.004 0.000 1.031 2281 V HN 0.630 nan 8.190 nan 0.000 0.426 2282 G N 1.559 110.439 108.800 0.134 0.000 2.708 2282 G HA2 1.031 4.991 3.960 -0.001 0.000 0.289 2282 G HA3 1.031 4.991 3.960 -0.001 0.000 0.289 2282 G C -1.259 173.772 174.900 0.218 0.000 1.416 2282 G CA -0.185 45.009 45.100 0.157 0.000 0.829 2282 G HN 1.502 nan 8.290 nan 0.000 0.480 2283 A N -0.837 122.098 122.820 0.192 0.000 2.597 2283 A HA 0.786 5.105 4.320 -0.001 0.000 0.292 2283 A C -1.750 175.928 177.584 0.157 0.000 1.057 2283 A CA -0.640 51.468 52.037 0.118 0.000 0.674 2283 A CB 0.962 19.980 19.000 0.030 0.000 1.278 2283 A HN 2.178 nan 8.150 nan 0.000 0.416 2284 Y N -0.822 119.439 120.300 -0.066 0.000 2.504 2284 Y HA 0.885 5.434 4.550 -0.001 0.000 0.344 2284 Y C 0.034 175.873 175.900 -0.103 0.000 1.023 2284 Y CA -0.408 57.658 58.100 -0.056 0.000 1.020 2284 Y CB 1.367 39.805 38.460 -0.037 0.000 1.282 2284 Y HN 1.601 nan 8.280 nan 0.000 0.454 2285 G N 0.011 108.810 108.800 -0.002 0.000 2.600 2285 G HA2 0.724 4.684 3.960 -0.001 0.000 0.293 2285 G HA3 0.724 4.684 3.960 -0.001 0.000 0.293 2285 G C -0.823 174.049 174.900 -0.048 0.000 1.408 2285 G CA -0.408 44.631 45.100 -0.102 0.000 0.782 2285 G HN 1.624 nan 8.290 nan 0.000 0.482 2286 G N -1.104 107.646 108.800 -0.083 0.000 2.455 2286 G HA2 0.363 4.323 3.960 -0.001 0.000 0.223 2286 G HA3 0.363 4.323 3.960 -0.001 0.000 0.223 2286 G C -1.121 173.717 174.900 -0.103 0.000 1.226 2286 G CA -0.832 44.214 45.100 -0.091 0.000 0.948 2286 G HN 0.642 nan 8.290 nan 0.000 0.478 2287 K N 0.667 120.994 120.400 -0.121 0.000 2.511 2287 K HA 0.103 4.422 4.320 -0.001 0.000 0.280 2287 K C 1.477 178.011 176.600 -0.110 0.000 1.008 2287 K CA 0.094 56.311 56.287 -0.116 0.000 1.050 2287 K CB 1.317 33.734 32.500 -0.137 0.000 0.889 2287 K HN 0.567 nan 8.250 nan 0.000 0.484 2288 R N 2.886 123.340 120.500 -0.078 0.000 2.096 2288 R HA -0.223 4.117 4.340 -0.001 0.000 0.240 2288 R C 2.003 178.273 176.300 -0.049 0.000 1.139 2288 R CA 2.222 58.286 56.100 -0.060 0.000 0.952 2288 R CB 0.020 30.297 30.300 -0.039 0.000 0.854 2288 R HN 0.770 nan 8.270 nan 0.000 0.436 2289 E N 0.469 120.645 120.200 -0.039 0.000 2.160 2289 E HA -0.220 4.130 4.350 -0.001 0.000 0.195 2289 E C 1.959 178.554 176.600 -0.009 0.000 0.991 2289 E CA 1.561 57.965 56.400 0.008 0.000 0.810 2289 E CB -0.375 29.360 29.700 0.059 0.000 0.742 2289 E HN 0.546 nan 8.360 nan 0.000 0.466 2290 I N 0.408 120.867 120.570 -0.184 0.000 2.277 2290 I HA -0.155 4.015 4.170 -0.001 0.000 0.243 2290 I C 2.551 178.605 176.117 -0.104 0.000 1.094 2290 I CA 0.684 61.784 61.300 -0.333 0.000 1.393 2290 I CB -0.298 37.352 38.000 -0.583 0.000 1.078 2290 I HN -0.000 nan 8.210 nan 0.000 0.417 2291 M N 0.343 119.891 119.600 -0.085 0.000 2.446 2291 M HA -0.195 4.285 4.480 -0.001 0.000 0.263 2291 M C 2.173 178.464 176.300 -0.015 0.000 1.066 2291 M CA 1.370 56.645 55.300 -0.042 0.000 1.087 2291 M CB -1.166 31.385 32.600 -0.082 0.000 1.406 2291 M HN 0.234 nan 8.290 nan 0.000 0.459 2292 Q N 0.624 120.422 119.800 -0.003 0.000 2.291 2292 Q HA -0.107 4.233 4.340 -0.001 0.000 0.206 2292 Q C 1.528 177.553 176.000 0.041 0.000 0.976 2292 Q CA 1.267 57.081 55.803 0.018 0.000 0.875 2292 Q CB -0.234 28.524 28.738 0.032 0.000 0.927 2292 Q HN 0.397 nan 8.270 nan 0.000 0.450 2293 L N -0.813 120.448 121.223 0.063 0.000 2.395 2293 L HA 0.062 4.401 4.340 -0.001 0.000 0.218 2293 L C 0.155 177.065 176.870 0.067 0.000 1.130 2293 L CA 0.326 55.213 54.840 0.079 0.000 0.826 2293 L CB -0.181 41.947 42.059 0.116 0.000 0.941 2293 L HN -0.062 nan 8.230 nan 0.000 0.451 2294 V N 0.715 120.663 119.914 0.057 0.000 2.572 2294 V HA 0.330 4.450 4.120 -0.001 0.000 0.291 2294 V C 0.912 177.019 176.094 0.021 0.000 1.039 2294 V CA -0.786 61.546 62.300 0.052 0.000 1.055 2294 V CB 0.558 32.416 31.823 0.058 0.000 0.969 2294 V HN 0.250 nan 8.190 nan 0.000 0.482 2295 A N 7.779 130.604 122.820 0.008 0.000 2.445 2295 A HA 0.427 4.747 4.320 -0.001 0.000 0.242 2295 A C -0.727 176.840 177.584 -0.029 0.000 1.075 2295 A CA -0.849 51.192 52.037 0.008 0.000 0.777 2295 A CB -0.052 18.963 19.000 0.025 0.000 1.013 2295 A HN 0.791 nan 8.150 nan 0.000 0.493 2296 P HA 0.120 nan 4.420 nan 0.000 0.253 2296 P C 0.831 178.152 177.300 0.036 0.000 1.260 2296 P CA 0.917 64.042 63.100 0.041 0.000 0.800 2296 P CB 0.360 32.087 31.700 0.047 0.000 1.162 2297 A N -0.075 122.758 122.820 0.021 0.000 1.970 2297 A HA 0.375 4.694 4.320 -0.001 0.000 0.216 2297 A C 1.360 178.963 177.584 0.032 0.000 1.170 2297 A CA 1.209 53.259 52.037 0.021 0.000 0.645 2297 A CB -0.706 18.298 19.000 0.007 0.000 0.816 2297 A HN 0.374 nan 8.150 nan 0.000 0.447 2298 G N -2.245 106.580 108.800 0.041 0.000 2.949 2298 G HA2 0.498 4.458 3.960 -0.001 0.000 0.285 2298 G HA3 0.498 4.458 3.960 -0.001 0.000 0.285 2298 G C -2.230 172.712 174.900 0.069 0.000 1.395 2298 G CA -0.327 44.804 45.100 0.053 0.000 0.901 2298 G HN -0.096 nan 8.290 nan 0.000 0.519 2299 P HA 0.020 nan 4.420 nan 0.000 0.229 2299 P C 0.866 178.231 177.300 0.108 0.000 1.160 2299 P CA 0.416 63.566 63.100 0.083 0.000 0.777 2299 P CB 0.382 32.118 31.700 0.059 0.000 0.814 2300 M N 0.674 120.331 119.600 0.094 0.000 2.292 2300 M HA 0.082 4.561 4.480 -0.001 0.000 0.342 2300 M C -0.779 175.590 176.300 0.116 0.000 1.538 2300 M CA -0.448 54.910 55.300 0.097 0.000 1.163 2300 M CB -0.203 32.439 32.600 0.069 0.000 1.823 2300 M HN -0.147 nan 8.290 nan 0.000 0.462 2301 Y N 4.977 125.296 120.300 0.032 0.000 2.319 2301 Y HA 0.253 4.803 4.550 -0.001 0.000 0.328 2301 Y C -0.160 175.766 175.900 0.044 0.000 1.133 2301 Y CA 0.584 58.706 58.100 0.038 0.000 1.265 2301 Y CB 0.543 39.019 38.460 0.028 0.000 1.218 2301 Y HN 0.579 nan 8.280 nan 0.000 0.508 2302 Q N 4.475 123.940 119.800 -0.559 0.000 2.364 2302 Q HA 0.645 4.985 4.340 -0.001 0.000 0.257 2302 Q C -2.257 173.491 176.000 -0.421 0.000 0.956 2302 Q CA -0.474 55.158 55.803 -0.284 0.000 0.924 2302 Q CB 1.624 30.332 28.738 -0.049 0.000 1.413 2302 Q HN 0.873 nan 8.270 nan 0.000 0.418 2303 A N 1.392 124.077 122.820 -0.225 0.000 2.564 2303 A HA 1.040 5.359 4.320 -0.001 0.000 0.288 2303 A C -0.927 176.662 177.584 0.009 0.000 1.164 2303 A CA -0.169 51.792 52.037 -0.125 0.000 0.712 2303 A CB 2.051 21.004 19.000 -0.079 0.000 1.303 2303 A HN 0.889 nan 8.150 nan 0.000 0.418 2304 G N -0.780 108.039 108.800 0.032 0.000 2.455 2304 G HA2 0.466 4.426 3.960 -0.001 0.000 0.298 2304 G HA3 0.466 4.426 3.960 -0.001 0.000 0.298 2304 G C 0.103 175.033 174.900 0.051 0.000 1.349 2304 G CA 0.539 45.670 45.100 0.052 0.000 1.220 2304 G HN 0.691 nan 8.290 nan 0.000 0.598 2305 T N 2.439 117.026 114.554 0.054 0.000 2.665 2305 T HA -0.120 4.229 4.350 -0.001 0.000 0.268 2305 T C 2.104 176.826 174.700 0.037 0.000 1.035 2305 T CA 0.920 63.049 62.100 0.049 0.000 1.151 2305 T CB -0.063 68.833 68.868 0.047 0.000 0.862 2305 T HN 0.273 nan 8.240 nan 0.000 0.438 2306 L N 1.360 122.601 121.223 0.029 0.000 2.591 2306 L HA 0.233 4.572 4.340 -0.001 0.000 0.228 2306 L C 0.793 177.664 176.870 0.002 0.000 1.133 2306 L CA 0.429 55.273 54.840 0.007 0.000 0.880 2306 L CB -0.983 41.078 42.059 0.004 0.000 1.033 2306 L HN 0.147 nan 8.230 nan 0.000 0.450 2307 S N 0.285 116.002 115.700 0.029 0.000 2.546 2307 S HA 0.267 4.736 4.470 -0.001 0.000 0.290 2307 S C 1.324 175.938 174.600 0.023 0.000 1.290 2307 S CA 0.594 58.821 58.200 0.046 0.000 1.069 2307 S CB 0.567 63.814 63.200 0.078 0.000 0.846 2307 S HN 0.618 nan 8.310 nan 0.000 0.495 2308 G N 2.897 111.686 108.800 -0.018 0.000 2.179 2308 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.257 2308 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.257 2308 G C 0.088 174.901 174.900 -0.145 0.000 1.010 2308 G CA 0.115 45.151 45.100 -0.108 0.000 0.736 2308 G HN 0.930 nan 8.290 nan 0.000 0.513 2309 N N 0.088 118.697 118.700 -0.152 0.000 2.441 2309 N HA 0.202 4.941 4.740 -0.001 0.000 0.251 2309 N C -1.167 174.177 175.510 -0.276 0.000 1.242 2309 N CA -0.598 52.321 53.050 -0.217 0.000 0.898 2309 N CB 1.319 39.697 38.487 -0.181 0.000 1.100 2309 N HN 0.047 nan 8.380 nan 0.000 0.443 2310 P HA -0.143 nan 4.420 nan 0.000 0.215 2310 P C 1.705 178.868 177.300 -0.228 0.000 1.157 2310 P CA 1.232 64.123 63.100 -0.347 0.000 0.874 2310 P CB 0.193 31.547 31.700 -0.577 0.000 0.790 2311 L N -1.308 119.788 121.223 -0.213 0.000 2.017 2311 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 2311 L C 2.499 179.291 176.870 -0.129 0.000 1.073 2311 L CA 1.685 56.441 54.840 -0.140 0.000 0.745 2311 L CB -1.205 40.787 42.059 -0.112 0.000 0.894 2311 L HN -0.034 nan 8.230 nan 0.000 0.432 2312 A N -0.230 122.502 122.820 -0.147 0.000 1.877 2312 A HA -0.228 4.092 4.320 -0.001 0.000 0.216 2312 A C 2.302 179.770 177.584 -0.194 0.000 1.186 2312 A CA 1.638 53.586 52.037 -0.148 0.000 0.620 2312 A CB -0.391 18.519 19.000 -0.150 0.000 0.822 2312 A HN 0.270 nan 8.150 nan 0.000 0.443 2313 M N -0.380 119.072 119.600 -0.246 0.000 2.080 2313 M HA -0.117 4.363 4.480 -0.001 0.000 0.260 2313 M C 2.244 178.436 176.300 -0.180 0.000 1.068 2313 M CA 2.146 57.278 55.300 -0.280 0.000 1.109 2313 M CB -2.188 30.243 32.600 -0.281 0.000 1.342 2313 M HN 0.439 nan 8.290 nan 0.000 0.405 2314 T N 1.494 115.965 114.554 -0.139 0.000 2.635 2314 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 2314 T C 1.911 176.558 174.700 -0.089 0.000 1.040 2314 T CA 2.026 64.069 62.100 -0.095 0.000 1.156 2314 T CB -0.428 68.394 68.868 -0.076 0.000 0.863 2314 T HN 0.516 nan 8.240 nan 0.000 0.430 2315 A N 1.187 123.952 122.820 -0.092 0.000 1.902 2315 A HA 0.116 4.436 4.320 -0.001 0.000 0.217 2315 A C 2.626 180.150 177.584 -0.100 0.000 1.181 2315 A CA 1.903 53.892 52.037 -0.079 0.000 0.623 2315 A CB -1.313 17.649 19.000 -0.064 0.000 0.818 2315 A HN 0.527 nan 8.150 nan 0.000 0.443 2316 G N -0.052 108.670 108.800 -0.129 0.000 2.402 2316 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.216 2316 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.216 2316 G C 1.532 176.345 174.900 -0.146 0.000 1.162 2316 G CA 1.047 46.053 45.100 -0.157 0.000 0.777 2316 G HN 0.466 nan 8.290 nan 0.000 0.539 2317 I N 0.364 120.865 120.570 -0.116 0.000 2.163 2317 I HA -0.160 4.010 4.170 -0.001 0.000 0.243 2317 I C 2.689 178.770 176.117 -0.060 0.000 1.085 2317 I CA 1.538 62.793 61.300 -0.074 0.000 1.347 2317 I CB -0.106 37.860 38.000 -0.057 0.000 1.044 2317 I HN 0.107 nan 8.210 nan 0.000 0.408 2318 K N 0.811 121.169 120.400 -0.070 0.000 2.097 2318 K HA -0.125 4.194 4.320 -0.001 0.000 0.205 2318 K C 1.968 178.507 176.600 -0.101 0.000 1.050 2318 K CA 1.786 58.028 56.287 -0.075 0.000 0.938 2318 K CB -0.440 32.016 32.500 -0.074 0.000 0.718 2318 K HN 0.189 nan 8.250 nan 0.000 0.442 2319 T N 0.978 115.467 114.554 -0.109 0.000 2.708 2319 T HA -0.093 4.256 4.350 -0.001 0.000 0.266 2319 T C 1.479 176.139 174.700 -0.066 0.000 1.037 2319 T CA 1.334 63.365 62.100 -0.115 0.000 1.146 2319 T CB -0.184 68.615 68.868 -0.115 0.000 0.865 2319 T HN 0.030 nan 8.240 nan 0.000 0.435 2320 L N 1.097 122.283 121.223 -0.062 0.000 2.141 2320 L HA 0.007 4.347 4.340 -0.001 0.000 0.209 2320 L C 2.450 179.409 176.870 0.149 0.000 1.094 2320 L CA 1.508 56.389 54.840 0.069 0.000 0.763 2320 L CB -0.694 41.359 42.059 -0.009 0.000 0.908 2320 L HN 0.321 nan 8.230 nan 0.000 0.437 2321 E N -0.603 119.624 120.200 0.045 0.000 2.072 2321 E HA -0.197 4.152 4.350 -0.001 0.000 0.191 2321 E C 2.299 178.896 176.600 -0.005 0.000 0.985 2321 E CA 0.960 57.376 56.400 0.026 0.000 0.801 2321 E CB -0.209 29.488 29.700 -0.004 0.000 0.750 2321 E HN 0.428 nan 8.360 nan 0.000 0.452 2322 L N 0.672 121.866 121.223 -0.048 0.000 2.083 2322 L HA -0.175 4.164 4.340 -0.001 0.000 0.209 2322 L C 2.362 179.208 176.870 -0.040 0.000 1.083 2322 L CA 0.787 55.576 54.840 -0.085 0.000 0.752 2322 L CB -0.257 41.677 42.059 -0.209 0.000 0.899 2322 L HN 0.162 nan 8.230 nan 0.000 0.433 2323 L N -0.686 120.551 121.223 0.023 0.000 2.362 2323 L HA -0.121 4.219 4.340 -0.001 0.000 0.219 2323 L C 2.296 179.198 176.870 0.055 0.000 1.134 2323 L CA 0.763 55.645 54.840 0.069 0.000 0.807 2323 L CB -0.358 41.873 42.059 0.287 0.000 0.927 2323 L HN 0.207 nan 8.230 nan 0.000 0.447 2324 R N -0.651 119.842 120.500 -0.011 0.000 2.310 2324 R HA 0.039 4.378 4.340 -0.001 0.000 0.202 2324 R C 0.279 176.538 176.300 -0.068 0.000 0.933 2324 R CA -0.092 55.927 56.100 -0.135 0.000 1.054 2324 R CB 0.104 30.302 30.300 -0.169 0.000 0.985 2324 R HN 0.305 nan 8.270 nan 0.000 0.489 2325 Q N 1.047 120.824 119.800 -0.038 0.000 2.417 2325 Q HA 0.191 4.530 4.340 -0.001 0.000 0.241 2325 Q C -2.216 173.774 176.000 -0.017 0.000 1.008 2325 Q CA -2.357 53.429 55.803 -0.028 0.000 0.901 2325 Q CB -0.127 28.594 28.738 -0.028 0.000 1.259 2325 Q HN -0.059 nan 8.270 nan 0.000 0.489 2326 P HA 0.029 nan 4.420 nan 0.000 0.262 2326 P C 0.508 177.817 177.300 0.015 0.000 1.182 2326 P CA 1.022 64.126 63.100 0.007 0.000 0.761 2326 P CB 0.274 31.976 31.700 0.004 0.000 0.795 2327 G N 2.076 110.903 108.800 0.046 0.000 2.189 2327 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.267 2327 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.267 2327 G C 1.249 176.198 174.900 0.081 0.000 0.975 2327 G CA 0.813 45.956 45.100 0.071 0.000 0.644 2327 G HN 0.484 nan 8.290 nan 0.000 0.537 2328 T N -0.205 114.365 114.554 0.025 0.000 2.570 2328 T HA -0.219 4.130 4.350 -0.001 0.000 0.266 2328 T C 1.920 176.561 174.700 -0.098 0.000 1.071 2328 T CA 2.217 64.270 62.100 -0.078 0.000 1.172 2328 T CB -0.322 68.415 68.868 -0.219 0.000 0.864 2328 T HN 0.512 nan 8.240 nan 0.000 0.421 2329 Y N 1.225 121.600 120.300 0.125 0.000 2.352 2329 Y HA -0.022 4.528 4.550 -0.000 0.000 0.292 2329 Y C 2.538 178.502 175.900 0.107 0.000 1.136 2329 Y CA 0.718 58.890 58.100 0.121 0.000 1.227 2329 Y CB -0.255 38.271 38.460 0.110 0.000 0.991 2329 Y HN 0.260 nan 8.280 nan 0.000 0.545 2330 E N -0.873 119.457 120.200 0.216 0.000 2.072 2330 E HA -0.213 4.136 4.350 -0.001 0.000 0.191 2330 E C 1.786 178.464 176.600 0.129 0.000 0.985 2330 E CA 1.215 57.709 56.400 0.155 0.000 0.801 2330 E CB -0.574 29.207 29.700 0.135 0.000 0.750 2330 E HN 0.539 nan 8.360 nan 0.000 0.452 2331 Y N 0.977 121.296 120.300 0.033 0.000 2.145 2331 Y HA -0.183 4.367 4.550 0.001 0.000 0.286 2331 Y C 1.786 177.693 175.900 0.013 0.000 1.145 2331 Y CA 1.471 59.579 58.100 0.014 0.000 1.148 2331 Y CB -0.250 38.207 38.460 -0.004 0.000 0.981 2331 Y HN -0.023 nan 8.280 nan 0.000 0.507 2332 L N -0.090 121.148 121.223 0.025 0.000 2.012 2332 L HA -0.267 4.072 4.340 -0.001 0.000 0.210 2332 L C 2.207 179.031 176.870 -0.076 0.000 1.073 2332 L CA 2.077 56.893 54.840 -0.040 0.000 0.748 2332 L CB -0.708 41.386 42.059 0.059 0.000 0.891 2332 L HN 0.250 nan 8.230 nan 0.000 0.431 2333 D N -0.861 119.538 120.400 -0.001 0.000 2.178 2333 D HA -0.243 4.396 4.640 -0.001 0.000 0.202 2333 D C 2.259 178.516 176.300 -0.072 0.000 0.974 2333 D CA 0.892 54.892 54.000 -0.001 0.000 0.841 2333 D CB 0.119 40.956 40.800 0.060 0.000 0.953 2333 D HN 0.250 nan 8.370 nan 0.000 0.478 2334 Q N 0.391 120.120 119.800 -0.119 0.000 2.020 2334 Q HA -0.163 4.177 4.340 -0.001 0.000 0.202 2334 Q C 2.437 178.308 176.000 -0.215 0.000 0.982 2334 Q CA 1.889 57.602 55.803 -0.150 0.000 0.838 2334 Q CB -0.269 28.376 28.738 -0.154 0.000 0.899 2334 Q HN 0.619 nan 8.270 nan 0.000 0.423 2335 I N -1.748 118.612 120.570 -0.351 0.000 2.439 2335 I HA -0.088 4.082 4.170 -0.001 0.000 0.251 2335 I C 1.806 177.775 176.117 -0.247 0.000 1.139 2335 I CA 1.432 62.547 61.300 -0.309 0.000 1.438 2335 I CB -0.621 37.142 38.000 -0.395 0.000 1.085 2335 I HN -0.027 nan 8.210 nan 0.000 0.427 2336 T N 1.012 115.428 114.554 -0.229 0.000 2.904 2336 T HA -0.106 4.244 4.350 -0.001 0.000 0.267 2336 T C 1.838 176.396 174.700 -0.237 0.000 1.059 2336 T CA 1.493 63.446 62.100 -0.246 0.000 1.137 2336 T CB -0.149 68.631 68.868 -0.148 0.000 0.879 2336 T HN 0.413 nan 8.240 nan 0.000 0.467 2337 K N 1.185 121.489 120.400 -0.160 0.000 2.057 2337 K HA -0.033 4.286 4.320 -0.001 0.000 0.206 2337 K C 2.498 179.010 176.600 -0.148 0.000 1.050 2337 K CA 0.969 57.182 56.287 -0.123 0.000 0.935 2337 K CB -0.030 32.428 32.500 -0.071 0.000 0.715 2337 K HN 0.114 nan 8.250 nan 0.000 0.439 2338 R N 0.755 121.161 120.500 -0.157 0.000 2.075 2338 R HA -0.052 4.287 4.340 -0.001 0.000 0.232 2338 R C 2.391 178.568 176.300 -0.205 0.000 1.126 2338 R CA 1.024 57.034 56.100 -0.150 0.000 0.963 2338 R CB -0.238 29.984 30.300 -0.130 0.000 0.858 2338 R HN 0.278 nan 8.270 nan 0.000 0.435 2339 L N -0.075 120.976 121.223 -0.286 0.000 1.994 2339 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 2339 L C 2.304 178.900 176.870 -0.457 0.000 1.071 2339 L CA 2.084 56.674 54.840 -0.416 0.000 0.745 2339 L CB -0.631 41.067 42.059 -0.602 0.000 0.892 2339 L HN 0.333 nan 8.230 nan 0.000 0.431 2340 S N -0.308 115.126 115.700 -0.443 0.000 2.359 2340 S HA -0.224 4.246 4.470 -0.001 0.000 0.224 2340 S C 1.554 176.036 174.600 -0.197 0.000 1.035 2340 S CA 1.824 59.828 58.200 -0.328 0.000 1.018 2340 S CB -0.257 62.813 63.200 -0.216 0.000 0.876 2340 S HN 0.498 nan 8.310 nan 0.000 0.448 2341 D N 0.606 120.914 120.400 -0.153 0.000 2.117 2341 D HA -0.024 4.615 4.640 -0.001 0.000 0.197 2341 D C 2.111 178.346 176.300 -0.109 0.000 0.987 2341 D CA 1.309 55.252 54.000 -0.095 0.000 0.829 2341 D CB -1.080 39.675 40.800 -0.075 0.000 0.961 2341 D HN 0.530 nan 8.370 nan 0.000 0.460 2342 G N 0.595 109.304 108.800 -0.152 0.000 2.418 2342 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.217 2342 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.217 2342 G C 1.580 176.373 174.900 -0.178 0.000 1.158 2342 G CA 0.324 45.335 45.100 -0.148 0.000 0.771 2342 G HN 0.159 nan 8.290 nan 0.000 0.545 2343 L N 0.420 121.474 121.223 -0.281 0.000 2.017 2343 L HA 0.052 4.392 4.340 -0.001 0.000 0.208 2343 L C 2.940 179.681 176.870 -0.215 0.000 1.073 2343 L CA 1.173 55.753 54.840 -0.434 0.000 0.745 2343 L CB -0.773 40.818 42.059 -0.780 0.000 0.894 2343 L HN 0.203 nan 8.230 nan 0.000 0.432 2344 L N -1.540 119.654 121.223 -0.048 0.000 2.056 2344 L HA -0.164 4.176 4.340 -0.001 0.000 0.207 2344 L C 2.631 179.532 176.870 0.052 0.000 1.078 2344 L CA 1.085 55.985 54.840 0.100 0.000 0.749 2344 L CB -0.883 41.223 42.059 0.079 0.000 0.901 2344 L HN 0.255 nan 8.230 nan 0.000 0.433 2345 A N 0.572 123.392 122.820 -0.001 0.000 1.883 2345 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 2345 A C 2.225 179.818 177.584 0.015 0.000 1.186 2345 A CA 1.649 53.687 52.037 0.002 0.000 0.624 2345 A CB -0.691 18.297 19.000 -0.021 0.000 0.822 2345 A HN 0.349 nan 8.150 nan 0.000 0.444 2346 I N -0.334 120.234 120.570 -0.003 0.000 2.226 2346 I HA -0.275 3.895 4.170 -0.001 0.000 0.245 2346 I C 2.981 179.149 176.117 0.085 0.000 1.100 2346 I CA 0.988 62.299 61.300 0.019 0.000 1.374 2346 I CB -0.358 37.629 38.000 -0.022 0.000 1.057 2346 I HN 0.366 nan 8.210 nan 0.000 0.413 2347 A N 0.178 123.070 122.820 0.120 0.000 1.883 2347 A HA -0.314 4.005 4.320 -0.001 0.000 0.217 2347 A C 2.309 180.001 177.584 0.181 0.000 1.186 2347 A CA 2.111 54.282 52.037 0.223 0.000 0.624 2347 A CB -0.784 18.384 19.000 0.280 0.000 0.822 2347 A HN 0.510 nan 8.150 nan 0.000 0.444 2348 Q N -0.629 119.238 119.800 0.111 0.000 2.050 2348 Q HA -0.224 4.115 4.340 -0.001 0.000 0.202 2348 Q C 2.056 178.089 176.000 0.054 0.000 0.980 2348 Q CA 1.852 57.697 55.803 0.070 0.000 0.840 2348 Q CB -0.197 28.568 28.738 0.046 0.000 0.898 2348 Q HN 0.779 nan 8.270 nan 0.000 0.424 2349 E N -0.738 119.494 120.200 0.054 0.000 2.268 2349 E HA -0.139 4.211 4.350 -0.001 0.000 0.195 2349 E C 1.099 177.730 176.600 0.051 0.000 0.995 2349 E CA 1.513 57.938 56.400 0.041 0.000 0.836 2349 E CB 0.159 29.878 29.700 0.033 0.000 0.763 2349 E HN 0.552 nan 8.360 nan 0.000 0.491 2350 T N -3.756 110.856 114.554 0.097 0.000 3.086 2350 T HA 0.306 4.655 4.350 -0.001 0.000 0.250 2350 T C 1.230 175.924 174.700 -0.011 0.000 1.074 2350 T CA 0.287 62.461 62.100 0.122 0.000 0.988 2350 T CB 0.793 69.825 68.868 0.272 0.000 0.988 2350 T HN 0.225 nan 8.240 nan 0.000 0.530 2351 G N 1.321 110.093 108.800 -0.047 0.000 2.137 2351 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.237 2351 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.237 2351 G C -0.364 174.346 174.900 -0.315 0.000 1.002 2351 G CA -0.153 44.837 45.100 -0.184 0.000 0.702 2351 G HN 0.760 nan 8.290 nan 0.000 0.515 2352 H N 0.120 119.232 119.070 0.069 0.000 2.481 2352 H HA 0.673 5.229 4.556 -0.001 0.000 0.333 2352 H C 0.609 175.993 175.328 0.094 0.000 1.066 2352 H CA 0.071 56.176 56.048 0.096 0.000 1.209 2352 H CB 1.687 31.552 29.762 0.173 0.000 1.445 2352 H HN 0.563 nan 8.280 nan 0.000 0.488 2353 A N 2.737 125.656 122.820 0.165 0.000 2.492 2353 A HA 0.567 4.887 4.320 -0.001 0.000 0.254 2353 A C 0.036 177.658 177.584 0.064 0.000 1.091 2353 A CA 0.561 52.652 52.037 0.090 0.000 0.768 2353 A CB -0.456 18.579 19.000 0.057 0.000 1.028 2353 A HN 0.837 nan 8.150 nan 0.000 0.498 2354 A N 1.270 124.074 122.820 -0.027 0.000 2.599 2354 A HA 0.790 5.109 4.320 -0.001 0.000 0.290 2354 A C -0.440 177.068 177.584 -0.125 0.000 1.101 2354 A CA 0.017 51.926 52.037 -0.213 0.000 0.674 2354 A CB 0.755 19.481 19.000 -0.457 0.000 1.277 2354 A HN 2.590 nan 8.150 nan 0.000 0.419 2355 C N -1.395 117.812 119.300 -0.156 0.000 3.307 2355 C HA 1.049 5.508 4.460 -0.001 0.000 0.333 2355 C C 0.331 175.381 174.990 0.102 0.000 1.291 2355 C CA 0.347 59.368 59.018 0.005 0.000 1.273 2355 C CB 1.167 28.918 27.740 0.018 0.000 1.580 2355 C HN 2.631 nan 8.230 nan 0.000 0.481 2356 G N -0.134 108.771 108.800 0.176 0.000 2.637 2356 G HA2 1.027 4.986 3.960 -0.001 0.000 0.112 2356 G HA3 1.027 4.986 3.960 -0.001 0.000 0.112 2356 G C -0.126 174.918 174.900 0.240 0.000 1.181 2356 G CA 0.371 45.619 45.100 0.246 0.000 1.150 2356 G HN 2.926 nan 8.290 nan 0.000 0.561 2357 G N -1.441 107.467 108.800 0.180 0.000 2.339 2357 G HA2 0.657 4.617 3.960 -0.001 0.000 0.381 2357 G HA3 0.657 4.617 3.960 -0.001 0.000 0.381 2357 G C -1.274 173.622 174.900 -0.007 0.000 1.400 2357 G CA 0.816 46.012 45.100 0.160 0.000 1.002 2357 G HN 1.926 nan 8.290 nan 0.000 0.633 2358 Q N -2.040 117.764 119.800 0.006 0.000 2.534 2358 Q HA 0.823 5.163 4.340 -0.001 0.000 0.290 2358 Q C -1.412 174.647 176.000 0.099 0.000 0.991 2358 Q CA -1.111 54.574 55.803 -0.196 0.000 0.783 2358 Q CB 2.251 30.894 28.738 -0.159 0.000 1.470 2358 Q HN 1.498 nan 8.270 nan 0.000 0.406 2359 V N 1.276 121.266 119.914 0.128 0.000 2.653 2359 V HA 0.636 4.755 4.120 -0.001 0.000 0.298 2359 V C -0.006 176.189 176.094 0.169 0.000 1.097 2359 V CA 0.290 62.731 62.300 0.235 0.000 0.908 2359 V CB 0.913 32.969 31.823 0.389 0.000 1.024 2359 V HN 1.094 nan 8.190 nan 0.000 0.435 2360 S N 4.140 119.926 115.700 0.142 0.000 3.525 2360 S HA -0.181 4.288 4.470 -0.001 0.000 0.629 2360 S C 1.159 175.830 174.600 0.119 0.000 2.621 2360 S CA 1.431 59.727 58.200 0.160 0.000 3.752 2360 S CB -1.215 62.120 63.200 0.226 0.000 0.260 2360 S HN 2.228 nan 8.310 nan 0.000 1.214 2361 G N 1.059 109.955 108.800 0.160 0.000 3.709 2361 G HA2 0.495 4.454 3.960 -0.001 0.000 0.272 2361 G HA3 0.495 4.454 3.960 -0.001 0.000 0.272 2361 G C -0.207 174.822 174.900 0.214 0.000 1.259 2361 G CA 0.433 45.619 45.100 0.142 0.000 1.512 2361 G HN 0.688 nan 8.290 nan 0.000 0.625 2362 M N 1.068 120.750 119.600 0.135 0.000 2.267 2362 M HA 0.661 5.141 4.480 -0.001 0.000 0.289 2362 M C -1.524 174.530 176.300 -0.409 0.000 1.043 2362 M CA -1.104 54.211 55.300 0.024 0.000 0.928 2362 M CB 1.721 34.459 32.600 0.229 0.000 1.613 2362 M HN 0.164 nan 8.290 nan 0.000 0.450 2363 F N 2.204 121.717 119.950 -0.728 0.000 2.706 2363 F HA 1.063 5.589 4.527 -0.001 0.000 0.328 2363 F C -0.720 174.616 175.800 -0.774 0.000 1.123 2363 F CA -0.738 56.679 58.000 -0.972 0.000 0.978 2363 F CB 1.432 40.108 39.000 -0.540 0.000 1.404 2363 F HN 0.559 nan 8.300 nan 0.000 0.497 2364 G N 0.131 108.676 108.800 -0.425 0.000 2.718 2364 G HA2 0.589 4.548 3.960 -0.001 0.000 0.295 2364 G HA3 0.589 4.548 3.960 -0.001 0.000 0.295 2364 G C -2.767 172.062 174.900 -0.119 0.000 1.421 2364 G CA -0.766 44.126 45.100 -0.345 0.000 0.902 2364 G HN 0.924 nan 8.290 nan 0.000 0.501 2365 F N 1.599 121.205 119.950 -0.574 0.000 2.831 2365 F HA 0.683 5.209 4.527 -0.001 0.000 0.346 2365 F C -1.856 173.562 175.800 -0.636 0.000 1.224 2365 F CA -1.693 56.047 58.000 -0.434 0.000 1.048 2365 F CB 1.007 39.841 39.000 -0.276 0.000 1.339 2365 F HN 0.329 nan 8.300 nan 0.000 0.514 2366 F N 5.460 125.010 119.950 -0.666 0.000 2.443 2366 F HA 0.436 4.963 4.527 -0.001 0.000 0.335 2366 F C -0.233 175.090 175.800 -0.795 0.000 1.104 2366 F CA -0.717 56.915 58.000 -0.613 0.000 1.013 2366 F CB 1.175 39.980 39.000 -0.325 0.000 1.136 2366 F HN 0.286 nan 8.300 nan 0.000 0.470 2367 F N 1.975 121.769 119.950 -0.260 0.000 2.626 2367 F HA 0.327 4.853 4.527 -0.001 0.000 0.353 2367 F C 0.499 176.230 175.800 -0.115 0.000 1.230 2367 F CA 0.061 57.918 58.000 -0.239 0.000 1.298 2367 F CB 0.122 39.037 39.000 -0.142 0.000 1.670 2367 F HN 0.397 nan 8.300 nan 0.000 0.633 2368 T N -0.160 114.399 114.554 0.009 0.000 2.957 2368 T HA 0.083 4.432 4.350 -0.001 0.000 0.336 2368 T C 0.727 175.407 174.700 -0.032 0.000 1.462 2368 T CA -0.587 61.513 62.100 -0.001 0.000 1.073 2368 T CB 1.126 69.972 68.868 -0.035 0.000 1.319 2368 T HN 0.607 nan 8.240 nan 0.000 0.485 2369 E N 2.564 122.753 120.200 -0.018 0.000 2.153 2369 E HA 0.219 4.568 4.350 -0.001 0.000 0.194 2369 E C 1.298 177.881 176.600 -0.029 0.000 0.988 2369 E CA 1.217 57.607 56.400 -0.017 0.000 0.811 2369 E CB -0.583 29.113 29.700 -0.007 0.000 0.746 2369 E HN 1.219 nan 8.360 nan 0.000 0.466 2370 G N 1.815 110.586 108.800 -0.048 0.000 2.564 2370 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.273 2370 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.273 2370 G C -1.952 172.941 174.900 -0.012 0.000 1.242 2370 G CA 0.255 45.320 45.100 -0.059 0.000 0.951 2370 G HN 0.460 nan 8.290 nan 0.000 0.564 2371 P HA 0.450 nan 4.420 nan 0.000 0.272 2371 P C -0.377 176.901 177.300 -0.036 0.000 1.240 2371 P CA -0.233 62.860 63.100 -0.012 0.000 0.791 2371 P CB 1.013 32.727 31.700 0.022 0.000 0.978 2372 V N 2.609 122.415 119.914 -0.180 0.000 2.333 2372 V HA 0.110 4.229 4.120 -0.001 0.000 0.274 2372 V C 0.709 176.664 176.094 -0.232 0.000 1.028 2372 V CA 0.045 62.192 62.300 -0.256 0.000 0.851 2372 V CB 0.084 31.538 31.823 -0.616 0.000 1.000 2372 V HN 0.604 nan 8.190 nan 0.000 0.456 2373 H N 2.899 121.894 119.070 -0.125 0.000 2.740 2373 H HA 0.298 4.853 4.556 -0.001 0.000 0.265 2373 H C 0.756 176.059 175.328 -0.042 0.000 0.978 2373 H CA 0.220 56.217 56.048 -0.085 0.000 1.198 2373 H CB 0.459 30.163 29.762 -0.096 0.000 1.467 2373 H HN 0.788 nan 8.280 nan 0.000 0.511 2374 N N -2.216 116.520 118.700 0.060 0.000 3.179 2374 N HA -0.082 4.658 4.740 -0.001 0.000 0.250 2374 N C -0.154 175.404 175.510 0.079 0.000 1.507 2374 N CA -0.636 52.468 53.050 0.090 0.000 0.883 2374 N CB 0.924 39.476 38.487 0.108 0.000 1.435 2374 N HN -0.131 nan 8.380 nan 0.000 0.532 2375 Y N 0.542 120.827 120.300 -0.025 0.000 2.207 2375 Y HA -0.139 4.411 4.550 -0.001 0.000 0.287 2375 Y C 2.417 178.288 175.900 -0.047 0.000 1.156 2375 Y CA 2.196 60.269 58.100 -0.045 0.000 1.182 2375 Y CB -0.280 38.152 38.460 -0.046 0.000 0.979 2375 Y HN 0.791 nan 8.280 nan 0.000 0.521 2376 E N -0.268 119.879 120.200 -0.089 0.000 2.058 2376 E HA -0.235 4.115 4.350 -0.001 0.000 0.194 2376 E C 1.642 178.145 176.600 -0.162 0.000 0.997 2376 E CA 1.664 57.959 56.400 -0.176 0.000 0.801 2376 E CB -0.109 29.545 29.700 -0.077 0.000 0.746 2376 E HN 0.474 nan 8.360 nan 0.000 0.450 2377 D N 0.427 120.759 120.400 -0.113 0.000 2.104 2377 D HA -0.169 4.470 4.640 -0.001 0.000 0.194 2377 D C 1.874 178.056 176.300 -0.197 0.000 0.994 2377 D CA 1.450 55.371 54.000 -0.132 0.000 0.830 2377 D CB -0.465 40.268 40.800 -0.112 0.000 0.959 2377 D HN 0.317 nan 8.370 nan 0.000 0.452 2378 A N 0.986 123.669 122.820 -0.228 0.000 1.940 2378 A HA -0.205 4.115 4.320 -0.001 0.000 0.219 2378 A C 1.961 179.577 177.584 0.052 0.000 1.176 2378 A CA 1.422 53.320 52.037 -0.232 0.000 0.631 2378 A CB -0.471 18.526 19.000 -0.005 0.000 0.814 2378 A HN 0.159 nan 8.150 nan 0.000 0.446 2379 K N -0.176 120.200 120.400 -0.040 0.000 2.574 2379 K HA -0.019 4.301 4.320 -0.001 0.000 0.193 2379 K C 1.257 177.858 176.600 0.003 0.000 1.035 2379 K CA 0.748 57.030 56.287 -0.007 0.000 0.982 2379 K CB 0.015 32.312 32.500 -0.338 0.000 0.795 2379 K HN 0.450 nan 8.250 nan 0.000 0.491 2380 K N 0.313 120.691 120.400 -0.037 0.000 2.426 2380 K HA 0.084 4.403 4.320 -0.001 0.000 0.193 2380 K C 0.152 176.751 176.600 -0.002 0.000 1.028 2380 K CA 0.037 56.306 56.287 -0.030 0.000 1.047 2380 K CB 0.441 32.908 32.500 -0.055 0.000 0.821 2380 K HN -0.053 nan 8.250 nan 0.000 0.513 2381 S N 2.208 117.913 115.700 0.009 0.000 2.558 2381 S HA -0.067 4.402 4.470 -0.001 0.000 0.288 2381 S C 0.061 174.693 174.600 0.054 0.000 1.318 2381 S CA -0.179 58.040 58.200 0.031 0.000 1.056 2381 S CB 0.492 63.690 63.200 -0.004 0.000 0.853 2381 S HN 0.173 nan 8.310 nan 0.000 0.505 2382 D N 2.430 122.883 120.400 0.088 0.000 2.416 2382 D HA 0.079 4.719 4.640 -0.001 0.000 0.240 2382 D C 0.734 177.084 176.300 0.083 0.000 1.250 2382 D CA -0.391 53.646 54.000 0.061 0.000 0.967 2382 D CB 0.118 40.933 40.800 0.025 0.000 1.059 2382 D HN 0.214 nan 8.370 nan 0.000 0.512 2383 L N 3.197 124.468 121.223 0.080 0.000 2.131 2383 L HA -0.154 4.186 4.340 -0.001 0.000 0.210 2383 L C 2.361 179.310 176.870 0.132 0.000 1.092 2383 L CA 1.461 56.370 54.840 0.115 0.000 0.759 2383 L CB -0.579 41.542 42.059 0.103 0.000 0.903 2383 L HN 0.516 nan 8.230 nan 0.000 0.435 2384 Q N -0.824 119.014 119.800 0.064 0.000 2.119 2384 Q HA -0.234 4.105 4.340 -0.001 0.000 0.201 2384 Q C 2.214 178.204 176.000 -0.017 0.000 0.972 2384 Q CA 1.292 57.114 55.803 0.032 0.000 0.847 2384 Q CB -0.064 28.683 28.738 0.015 0.000 0.903 2384 Q HN 0.472 nan 8.270 nan 0.000 0.433 2385 K N 0.319 120.666 120.400 -0.088 0.000 2.097 2385 K HA -0.149 4.171 4.320 -0.001 0.000 0.205 2385 K C 1.896 178.320 176.600 -0.293 0.000 1.050 2385 K CA 0.780 56.893 56.287 -0.290 0.000 0.938 2385 K CB -0.141 32.037 32.500 -0.538 0.000 0.718 2385 K HN 0.059 nan 8.250 nan 0.000 0.442 2386 F N 1.259 121.109 119.950 -0.167 0.000 2.134 2386 F HA -0.206 4.321 4.527 -0.001 0.000 0.299 2386 F C 2.473 178.373 175.800 0.167 0.000 1.097 2386 F CA 1.819 59.922 58.000 0.172 0.000 1.264 2386 F CB -0.690 38.434 39.000 0.207 0.000 1.001 2386 F HN 0.035 nan 8.300 nan 0.000 0.479 2387 S N 0.159 115.893 115.700 0.057 0.000 2.383 2387 S HA -0.194 4.275 4.470 -0.001 0.000 0.229 2387 S C 2.241 176.794 174.600 -0.078 0.000 1.030 2387 S CA 1.428 59.605 58.200 -0.038 0.000 1.002 2387 S CB -0.318 62.907 63.200 0.040 0.000 0.829 2387 S HN 0.484 nan 8.310 nan 0.000 0.467 2388 R N -0.789 119.675 120.500 -0.060 0.000 2.090 2388 R HA -0.007 4.332 4.340 -0.001 0.000 0.228 2388 R C 2.112 178.374 176.300 -0.062 0.000 1.110 2388 R CA 1.456 57.523 56.100 -0.055 0.000 0.973 2388 R CB -0.576 29.689 30.300 -0.059 0.000 0.869 2388 R HN 0.537 nan 8.270 nan 0.000 0.440 2389 F N 1.546 121.361 119.950 -0.225 0.000 2.102 2389 F HA -0.253 4.274 4.527 -0.001 0.000 0.298 2389 F C 2.507 178.175 175.800 -0.221 0.000 1.105 2389 F CA 1.720 59.615 58.000 -0.174 0.000 1.239 2389 F CB -0.546 38.455 39.000 0.001 0.000 0.991 2389 F HN 0.083 nan 8.300 nan 0.000 0.474 2390 H N 0.216 118.939 119.070 -0.578 0.000 2.319 2390 H HA -0.173 4.382 4.556 -0.001 0.000 0.299 2390 H C 2.405 177.471 175.328 -0.435 0.000 1.092 2390 H CA 2.007 57.656 56.048 -0.664 0.000 1.302 2390 H CB -0.181 29.149 29.762 -0.720 0.000 1.373 2390 H HN 0.127 nan 8.280 nan 0.000 0.497 2391 R N 0.661 121.081 120.500 -0.134 0.000 2.081 2391 R HA -0.045 4.294 4.340 -0.001 0.000 0.235 2391 R C 2.731 178.899 176.300 -0.220 0.000 1.131 2391 R CA 1.593 57.647 56.100 -0.077 0.000 0.960 2391 R CB -1.328 28.982 30.300 0.016 0.000 0.856 2391 R HN 0.452 nan 8.270 nan 0.000 0.436 2392 G N 0.081 108.735 108.800 -0.243 0.000 2.442 2392 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.219 2392 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.219 2392 G C 1.317 176.008 174.900 -0.347 0.000 1.141 2392 G CA 0.929 45.877 45.100 -0.253 0.000 0.763 2392 G HN 0.203 nan 8.290 nan 0.000 0.554 2393 M N -0.242 119.056 119.600 -0.503 0.000 2.132 2393 M HA 0.079 4.558 4.480 -0.001 0.000 0.263 2393 M C 2.501 178.593 176.300 -0.347 0.000 1.065 2393 M CA 0.672 55.673 55.300 -0.499 0.000 1.122 2393 M CB -1.065 31.083 32.600 -0.754 0.000 1.365 2393 M HN 0.170 nan 8.290 nan 0.000 0.411 2394 L N 0.766 121.771 121.223 -0.363 0.000 2.012 2394 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 2394 L C 2.203 178.839 176.870 -0.390 0.000 1.073 2394 L CA 1.911 56.664 54.840 -0.144 0.000 0.748 2394 L CB -0.928 41.094 42.059 -0.062 0.000 0.891 2394 L HN 0.370 nan 8.230 nan 0.000 0.431 2395 E N -1.354 118.443 120.200 -0.672 0.000 2.265 2395 E HA -0.198 4.152 4.350 -0.001 0.000 0.196 2395 E C 1.608 177.920 176.600 -0.480 0.000 0.996 2395 E CA 0.580 56.426 56.400 -0.922 0.000 0.832 2395 E CB 0.022 29.360 29.700 -0.604 0.000 0.756 2395 E HN 0.482 nan 8.360 nan 0.000 0.491 2396 Q N -0.695 118.913 119.800 -0.320 0.000 2.320 2396 Q HA 0.088 4.428 4.340 -0.001 0.000 0.201 2396 Q C 0.882 176.780 176.000 -0.169 0.000 0.910 2396 Q CA 0.611 56.290 55.803 -0.206 0.000 0.946 2396 Q CB 1.254 29.890 28.738 -0.170 0.000 1.062 2396 Q HN 0.390 nan 8.270 nan 0.000 0.503 2397 G N 1.042 109.726 108.800 -0.194 0.000 2.132 2397 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.228 2397 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.228 2397 G C -0.067 174.850 174.900 0.030 0.000 1.000 2397 G CA -0.250 44.738 45.100 -0.187 0.000 0.693 2397 G HN 0.218 nan 8.290 nan 0.000 0.515 2398 I N 0.237 120.873 120.570 0.109 0.000 2.389 2398 I HA 0.394 4.564 4.170 -0.001 0.000 0.288 2398 I C -0.456 175.784 176.117 0.205 0.000 0.999 2398 I CA -1.856 59.547 61.300 0.170 0.000 1.129 2398 I CB 1.383 39.400 38.000 0.030 0.000 1.288 2398 I HN 0.134 nan 8.210 nan 0.000 0.444 2399 Y N 7.195 127.585 120.300 0.150 0.000 2.434 2399 Y HA 0.563 5.113 4.550 -0.000 0.000 0.341 2399 Y C -0.702 175.245 175.900 0.078 0.000 0.965 2399 Y CA -0.294 57.816 58.100 0.017 0.000 1.205 2399 Y CB 0.860 39.296 38.460 -0.040 0.000 1.121 2399 Y HN 0.415 nan 8.280 nan 0.000 0.507 2400 L N 4.651 125.647 121.223 -0.377 0.000 2.313 2400 L HA 0.741 5.081 4.340 -0.001 0.000 0.268 2400 L C 0.179 176.924 176.870 -0.209 0.000 1.010 2400 L CA -1.627 53.119 54.840 -0.157 0.000 0.814 2400 L CB 1.366 43.363 42.059 -0.103 0.000 1.304 2400 L HN 0.648 nan 8.230 nan 0.000 0.441 2401 A N 2.203 124.963 122.820 -0.100 0.000 2.546 2401 A HA 0.213 4.532 4.320 -0.001 0.000 0.243 2401 A C -1.951 175.654 177.584 0.035 0.000 1.063 2401 A CA -0.710 51.261 52.037 -0.109 0.000 0.757 2401 A CB -0.571 18.373 19.000 -0.094 0.000 0.991 2401 A HN 0.487 nan 8.150 nan 0.000 0.503 2402 P HA 0.123 nan 4.420 nan 0.000 0.225 2402 P C -0.407 176.781 177.300 -0.187 0.000 1.768 2402 P CA 0.463 63.195 63.100 -0.612 0.000 0.943 2402 P CB -0.220 30.832 31.700 -1.079 0.000 1.936 2403 S N 0.521 116.265 115.700 0.074 0.000 2.578 2403 S HA 0.141 4.611 4.470 -0.001 0.000 0.285 2403 S C 0.590 174.867 174.600 -0.537 0.000 1.126 2403 S CA -0.435 57.731 58.200 -0.057 0.000 0.878 2403 S CB 1.461 64.680 63.200 0.030 0.000 1.091 2403 S HN 0.023 nan 8.310 nan 0.000 0.450 2404 Q N 2.645 121.752 119.800 -1.154 0.000 2.297 2404 Q HA 0.250 4.589 4.340 -0.001 0.000 0.204 2404 Q C 0.046 175.436 176.000 -1.017 0.000 0.962 2404 Q CA 1.739 56.557 55.803 -1.641 0.000 0.879 2404 Q CB -0.206 27.573 28.738 -1.599 0.000 0.947 2404 Q HN 0.732 nan 8.270 nan 0.000 0.462 2405 F N 1.082 120.904 119.950 -0.214 0.000 2.916 2405 F HA 0.392 4.919 4.527 -0.001 0.000 0.294 2405 F C -0.138 175.626 175.800 -0.059 0.000 1.189 2405 F CA -0.398 57.576 58.000 -0.044 0.000 1.369 2405 F CB 0.416 39.443 39.000 0.045 0.000 0.961 2405 F HN -0.155 nan 8.300 nan 0.000 0.508 2406 E N 0.999 121.178 120.200 -0.036 0.000 2.275 2406 E HA 0.542 4.892 4.350 -0.001 0.000 0.270 2406 E C -0.540 175.944 176.600 -0.194 0.000 0.882 2406 E CA -0.615 55.792 56.400 0.011 0.000 0.758 2406 E CB 2.304 32.123 29.700 0.197 0.000 1.195 2406 E HN 0.130 nan 8.360 nan 0.000 0.419 2407 A N 1.997 124.674 122.820 -0.238 0.000 2.366 2407 A HA 0.610 4.929 4.320 -0.001 0.000 0.249 2407 A C 0.617 177.584 177.584 -1.029 0.000 1.084 2407 A CA 0.374 52.095 52.037 -0.528 0.000 0.794 2407 A CB 0.404 19.219 19.000 -0.309 0.000 1.034 2407 A HN 0.526 nan 8.150 nan 0.000 0.491 2408 G N -0.761 107.177 108.800 -1.436 0.000 2.437 2408 G HA2 0.621 4.581 3.960 -0.001 0.000 0.319 2408 G HA3 0.621 4.581 3.960 -0.001 0.000 0.319 2408 G C -0.895 173.231 174.900 -1.290 0.000 1.158 2408 G CA -0.531 43.630 45.100 -1.565 0.000 0.899 2408 G HN 0.496 nan 8.290 nan 0.000 0.502 2409 F N -0.480 119.429 119.950 -0.069 0.000 2.576 2409 F HA 0.591 5.118 4.527 -0.001 0.000 0.313 2409 F C 0.649 176.539 175.800 0.149 0.000 1.078 2409 F CA -0.843 57.202 58.000 0.074 0.000 0.921 2409 F CB 2.847 41.856 39.000 0.015 0.000 1.232 2409 F HN 0.648 nan 8.300 nan 0.000 0.459 2410 T N -1.598 113.089 114.554 0.223 0.000 2.927 2410 T HA 0.855 5.204 4.350 -0.001 0.000 0.286 2410 T C -0.435 174.203 174.700 -0.103 0.000 1.040 2410 T CA -0.712 61.287 62.100 -0.168 0.000 1.010 2410 T CB 1.775 70.545 68.868 -0.164 0.000 1.177 2410 T HN 0.781 nan 8.240 nan 0.000 0.546 2411 S N -0.285 115.336 115.700 -0.131 0.000 2.651 2411 S HA 0.485 4.954 4.470 -0.001 0.000 0.279 2411 S C 0.798 175.522 174.600 0.206 0.000 1.148 2411 S CA -1.148 57.113 58.200 0.100 0.000 0.837 2411 S CB 0.759 64.037 63.200 0.131 0.000 1.138 2411 S HN 0.651 nan 8.310 nan 0.000 0.478 2412 L N 0.564 121.881 121.223 0.157 0.000 2.362 2412 L HA 0.053 4.393 4.340 -0.001 0.000 0.219 2412 L C 2.605 179.545 176.870 0.116 0.000 1.134 2412 L CA 1.334 56.272 54.840 0.163 0.000 0.807 2412 L CB -0.797 41.283 42.059 0.036 0.000 0.927 2412 L HN 0.910 nan 8.230 nan 0.000 0.447 2413 A N -1.752 121.130 122.820 0.103 0.000 2.169 2413 A HA -0.027 4.293 4.320 -0.001 0.000 0.212 2413 A C 0.352 177.911 177.584 -0.042 0.000 1.153 2413 A CA 0.073 52.103 52.037 -0.011 0.000 0.756 2413 A CB -0.545 18.397 19.000 -0.096 0.000 0.813 2413 A HN 0.310 nan 8.150 nan 0.000 0.471 2414 H N 1.281 120.340 119.070 -0.018 0.000 2.899 2414 H HA 0.328 4.884 4.556 -0.001 0.000 0.303 2414 H C 1.032 176.429 175.328 0.115 0.000 1.042 2414 H CA 0.954 56.984 56.048 -0.030 0.000 1.479 2414 H CB 0.637 30.387 29.762 -0.020 0.000 1.493 2414 H HN 0.362 nan 8.280 nan 0.000 0.534 2415 T N -0.323 114.314 114.554 0.138 0.000 2.881 2415 T HA 0.124 4.473 4.350 -0.001 0.000 0.278 2415 T C 1.362 176.157 174.700 0.159 0.000 0.982 2415 T CA -0.873 61.333 62.100 0.176 0.000 0.989 2415 T CB 1.334 70.263 68.868 0.102 0.000 1.058 2415 T HN 0.530 nan 8.240 nan 0.000 0.529 2416 E N 0.192 120.478 120.200 0.144 0.000 2.110 2416 E HA -0.092 4.257 4.350 -0.001 0.000 0.193 2416 E C 1.915 178.553 176.600 0.064 0.000 0.988 2416 E CA 1.272 57.723 56.400 0.084 0.000 0.804 2416 E CB -0.284 29.460 29.700 0.074 0.000 0.745 2416 E HN 0.753 nan 8.360 nan 0.000 0.458 2417 E N 0.471 120.714 120.200 0.071 0.000 2.110 2417 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 2417 E C 1.612 178.256 176.600 0.074 0.000 0.988 2417 E CA 1.285 57.721 56.400 0.060 0.000 0.804 2417 E CB -0.202 29.533 29.700 0.059 0.000 0.745 2417 E HN 0.294 nan 8.360 nan 0.000 0.458 2418 D N 0.058 120.518 120.400 0.100 0.000 2.117 2418 D HA -0.128 4.511 4.640 -0.001 0.000 0.197 2418 D C 1.812 178.202 176.300 0.149 0.000 0.987 2418 D CA 0.745 54.820 54.000 0.126 0.000 0.829 2418 D CB -0.056 40.792 40.800 0.080 0.000 0.961 2418 D HN 0.137 nan 8.370 nan 0.000 0.460 2419 I N 1.537 122.181 120.570 0.125 0.000 2.252 2419 I HA -0.189 3.980 4.170 -0.001 0.000 0.245 2419 I C 1.787 177.913 176.117 0.014 0.000 1.102 2419 I CA 1.122 62.465 61.300 0.072 0.000 1.385 2419 I CB -0.898 37.104 38.000 0.004 0.000 1.064 2419 I HN -0.068 nan 8.210 nan 0.000 0.414 2420 D N 1.384 121.794 120.400 0.016 0.000 2.092 2420 D HA -0.141 4.498 4.640 -0.001 0.000 0.193 2420 D C 2.275 178.573 176.300 -0.002 0.000 0.994 2420 D CA 1.757 55.756 54.000 -0.003 0.000 0.828 2420 D CB -0.122 40.680 40.800 0.005 0.000 0.963 2420 D HN 0.299 nan 8.370 nan 0.000 0.450 2421 A N 0.231 123.063 122.820 0.020 0.000 1.972 2421 A HA -0.154 4.165 4.320 -0.001 0.000 0.219 2421 A C 2.340 179.931 177.584 0.012 0.000 1.169 2421 A CA 2.014 54.060 52.037 0.015 0.000 0.635 2421 A CB -0.770 18.247 19.000 0.029 0.000 0.810 2421 A HN 0.231 nan 8.150 nan 0.000 0.446 2422 T N 0.344 114.919 114.554 0.035 0.000 2.777 2422 T HA -0.029 4.320 4.350 -0.001 0.000 0.266 2422 T C 1.776 176.431 174.700 -0.075 0.000 1.040 2422 T CA 1.372 63.478 62.100 0.011 0.000 1.141 2422 T CB -0.312 68.581 68.868 0.041 0.000 0.868 2422 T HN 0.384 nan 8.240 nan 0.000 0.444 2423 L N 0.750 121.922 121.223 -0.085 0.000 2.109 2423 L HA 0.012 4.352 4.340 -0.001 0.000 0.207 2423 L C 3.054 179.886 176.870 -0.063 0.000 1.086 2423 L CA 0.955 55.734 54.840 -0.102 0.000 0.760 2423 L CB -0.671 41.327 42.059 -0.102 0.000 0.910 2423 L HN 0.227 nan 8.230 nan 0.000 0.437 2424 A N 0.302 123.096 122.820 -0.044 0.000 1.902 2424 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 2424 A C 2.550 180.113 177.584 -0.036 0.000 1.181 2424 A CA 1.829 53.846 52.037 -0.033 0.000 0.623 2424 A CB -0.690 18.294 19.000 -0.027 0.000 0.818 2424 A HN 0.393 nan 8.150 nan 0.000 0.443 2425 A N -0.172 122.621 122.820 -0.046 0.000 1.902 2425 A HA 0.164 4.483 4.320 -0.001 0.000 0.217 2425 A C 2.517 180.070 177.584 -0.051 0.000 1.181 2425 A CA 2.106 54.105 52.037 -0.062 0.000 0.623 2425 A CB -1.054 17.898 19.000 -0.080 0.000 0.818 2425 A HN 1.096 nan 8.150 nan 0.000 0.443 2426 A N -0.179 122.619 122.820 -0.037 0.000 1.933 2426 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 2426 A C 2.179 179.801 177.584 0.064 0.000 1.175 2426 A CA 2.131 54.196 52.037 0.047 0.000 0.628 2426 A CB -0.445 18.547 19.000 -0.013 0.000 0.814 2426 A HN 0.532 nan 8.150 nan 0.000 0.444 2427 R N -0.429 120.079 120.500 0.014 0.000 2.070 2427 R HA -0.089 4.250 4.340 -0.001 0.000 0.233 2427 R C 2.155 178.474 176.300 0.032 0.000 1.137 2427 R CA 2.501 58.615 56.100 0.023 0.000 0.945 2427 R CB -1.163 29.138 30.300 0.002 0.000 0.845 2427 R HN 0.423 nan 8.270 nan 0.000 0.430 2428 T N 0.086 114.646 114.554 0.009 0.000 2.684 2428 T HA -0.128 4.222 4.350 -0.001 0.000 0.267 2428 T C 1.809 176.517 174.700 0.013 0.000 1.036 2428 T CA 1.699 63.800 62.100 0.002 0.000 1.148 2428 T CB -0.328 68.526 68.868 -0.024 0.000 0.863 2428 T HN 0.046 nan 8.240 nan 0.000 0.436 2429 V N 1.469 121.392 119.914 0.015 0.000 2.261 2429 V HA -0.154 3.966 4.120 -0.001 0.000 0.246 2429 V C 2.519 178.671 176.094 0.096 0.000 1.047 2429 V CA 1.706 64.026 62.300 0.034 0.000 1.015 2429 V CB -0.596 31.227 31.823 -0.001 0.000 0.642 2429 V HN 0.468 nan 8.190 nan 0.000 0.446 2430 M N -0.240 119.448 119.600 0.148 0.000 2.296 2430 M HA -0.132 4.348 4.480 -0.001 0.000 0.265 2430 M C 2.286 178.662 176.300 0.128 0.000 1.064 2430 M CA 1.396 56.752 55.300 0.093 0.000 1.109 2430 M CB -0.400 32.267 32.600 0.112 0.000 1.396 2430 M HN 0.327 nan 8.290 nan 0.000 0.430 2431 S N 0.422 116.188 115.700 0.110 0.000 2.423 2431 S HA 0.001 4.471 4.470 -0.001 0.000 0.231 2431 S C 1.808 176.466 174.600 0.095 0.000 1.014 2431 S CA 1.179 59.444 58.200 0.107 0.000 0.965 2431 S CB -0.109 63.129 63.200 0.063 0.000 0.785 2431 S HN 0.568 nan 8.310 nan 0.000 0.495 2432 A N 0.322 123.184 122.820 0.070 0.000 2.267 2432 A HA 0.420 4.740 4.320 -0.001 0.000 0.213 2432 A C 0.863 178.478 177.584 0.052 0.000 1.192 2432 A CA -0.204 51.863 52.037 0.050 0.000 0.851 2432 A CB -0.092 18.921 19.000 0.022 0.000 0.881 2432 A HN 0.330 nan 8.150 nan 0.000 0.494 2433 L N 0.000 121.257 121.223 0.057 0.000 2.949 2433 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 2433 L CA 0.000 54.850 54.840 0.016 0.000 0.813 2433 L CB 0.000 41.940 42.059 -0.199 0.000 0.961 2433 L HN 0.000 nan 8.230 nan 0.000 0.502