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 2hn2_1_B DATA FIRST_RESID 2009 DATA SEQUENCE KKGLPPGTLV YTGKYREDFE IEVMNYSIEE FREFKTTDVE SVLPFRDSST DATA SEQUENCE PTWINITGIH RTDVVQRVGE FFGIHPLVLE DILNVHQRPK VEFFENYVFI DATA SEQUENCE VLKMFTYDKN LHELESEQVS LILTKNCVLM FQEKIGDVFD PVRERIRYNR DATA SEQUENCE GIIRKKRADY LLYSLIDALV DDYFVLLEKI DDEIDVLEEE VLERPEKETV DATA SEQUENCE QRTHQLKRNL VELRKTIWPL REVLSSLYRD VPPLIEKETV PYFRDVYDHT DATA SEQUENCE IQIADTVETF RDIVSGLLDV YLSSVSNKTN EVMKVLTIIA TIFMPLTFIA DATA SEQUENCE GIYGMNFXXX XXXXXXXGYP VVLAVMGVIA VIMVVYFKKK K 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 2009 K HA 0.000 nan 4.320 nan 0.000 0.191 2009 K C 0.000 176.627 176.600 0.045 0.000 0.988 2009 K CA 0.000 56.295 56.287 0.013 0.000 0.838 2009 K CB 0.000 32.514 32.500 0.022 0.000 1.064 2010 K N -0.196 120.225 120.400 0.034 0.000 2.400 2010 K HA 0.688 5.007 4.320 -0.002 0.000 0.246 2010 K C -0.302 176.320 176.600 0.038 0.000 0.995 2010 K CA -0.733 55.578 56.287 0.039 0.000 0.840 2010 K CB 1.635 34.150 32.500 0.024 0.000 1.293 2010 K HN 0.719 nan 8.250 nan 0.000 0.445 2011 G N -0.082 108.742 108.800 0.039 0.000 2.537 2011 G HA2 0.646 4.605 3.960 -0.002 0.000 0.323 2011 G HA3 0.646 4.605 3.960 -0.002 0.000 0.323 2011 G C -0.054 174.864 174.900 0.030 0.000 1.207 2011 G CA -0.588 44.533 45.100 0.035 0.000 0.976 2011 G HN 0.384 nan 8.290 nan 0.000 0.487 2012 L N -0.294 120.945 121.223 0.027 0.000 3.515 2012 L HA 0.210 4.549 4.340 -0.002 0.000 0.322 2012 L C -1.539 175.346 176.870 0.024 0.000 1.225 2012 L CA -0.487 54.368 54.840 0.024 0.000 1.104 2012 L CB 0.543 42.614 42.059 0.021 0.000 1.506 2012 L HN 0.352 nan 8.230 nan 0.000 0.624 2013 P HA 0.289 nan 4.420 nan 0.000 0.293 2013 P C -1.891 175.424 177.300 0.025 0.000 1.298 2013 P CA -0.650 62.465 63.100 0.024 0.000 0.757 2013 P CB -0.242 31.473 31.700 0.024 0.000 1.262 2014 P HA 0.217 nan 4.420 nan 0.000 0.257 2014 P C 0.309 177.627 177.300 0.029 0.000 1.241 2014 P CA 0.382 63.497 63.100 0.026 0.000 0.816 2014 P CB 0.429 32.143 31.700 0.023 0.000 1.150 2015 G N -0.162 108.655 108.800 0.029 0.000 2.828 2015 G HA2 -0.054 3.905 3.960 -0.002 0.000 0.226 2015 G HA3 -0.054 3.905 3.960 -0.002 0.000 0.226 2015 G C 0.231 175.145 174.900 0.024 0.000 1.090 2015 G CA 0.007 45.126 45.100 0.031 0.000 1.035 2015 G HN 0.421 nan 8.290 nan 0.000 0.578 2016 T N -1.293 113.274 114.554 0.023 0.000 3.449 2016 T HA 0.630 4.979 4.350 -0.002 0.000 0.387 2016 T C 0.432 175.143 174.700 0.018 0.000 1.222 2016 T CA -0.098 62.013 62.100 0.019 0.000 1.008 2016 T CB 0.745 69.626 68.868 0.021 0.000 1.688 2016 T HN 0.281 nan 8.240 nan 0.000 0.542 2017 L N 2.217 123.452 121.223 0.019 0.000 2.529 2017 L HA 0.414 4.752 4.340 -0.002 0.000 0.246 2017 L C -0.218 176.679 176.870 0.045 0.000 1.394 2017 L CA -0.710 54.143 54.840 0.020 0.000 0.906 2017 L CB 0.195 42.256 42.059 0.003 0.000 1.170 2017 L HN 0.687 nan 8.230 nan 0.000 0.501 2018 V N -0.824 119.125 119.914 0.058 0.000 2.532 2018 V HA 0.493 4.612 4.120 -0.002 0.000 0.295 2018 V C -0.567 175.606 176.094 0.132 0.000 1.041 2018 V CA -0.937 61.414 62.300 0.085 0.000 0.926 2018 V CB 1.899 33.758 31.823 0.061 0.000 0.992 2018 V HN 0.460 nan 8.190 nan 0.000 0.457 2019 Y N 3.880 124.195 120.300 0.026 0.000 2.385 2019 Y HA 0.459 5.008 4.550 -0.002 0.000 0.341 2019 Y C 1.408 177.332 175.900 0.040 0.000 0.965 2019 Y CA -0.110 58.010 58.100 0.032 0.000 1.180 2019 Y CB 1.683 40.178 38.460 0.057 0.000 1.139 2019 Y HN 0.944 nan 8.280 nan 0.000 0.502 2020 T N 1.130 115.432 114.554 -0.420 0.000 3.043 2020 T HA 0.203 4.552 4.350 -0.002 0.000 0.263 2020 T C 1.133 175.486 174.700 -0.578 0.000 1.094 2020 T CA 0.403 62.286 62.100 -0.362 0.000 1.127 2020 T CB -0.454 68.302 68.868 -0.187 0.000 0.905 2020 T HN 0.752 nan 8.240 nan 0.000 0.490 2021 G N 1.011 109.116 108.800 -1.158 0.000 2.664 2021 G HA2 0.344 4.303 3.960 -0.002 0.000 0.242 2021 G HA3 0.344 4.303 3.960 -0.002 0.000 0.242 2021 G C -0.197 174.489 174.900 -0.357 0.000 1.225 2021 G CA -0.768 43.877 45.100 -0.758 0.000 0.849 2021 G HN 0.445 nan 8.290 nan 0.000 0.581 2022 K N 0.553 121.022 120.400 0.116 0.000 3.167 2022 K HA 0.197 4.515 4.320 -0.002 0.000 0.208 2022 K C -1.373 175.259 176.600 0.053 0.000 1.159 2022 K CA -0.034 56.308 56.287 0.091 0.000 1.018 2022 K CB 0.721 33.217 32.500 -0.007 0.000 0.927 2022 K HN 0.514 nan 8.250 nan 0.000 0.476 2023 Y N 0.403 120.834 120.300 0.218 0.000 2.705 2023 Y HA 0.262 4.811 4.550 -0.002 0.000 0.355 2023 Y C 0.435 176.380 175.900 0.075 0.000 1.039 2023 Y CA -0.785 57.407 58.100 0.154 0.000 1.233 2023 Y CB 0.946 39.514 38.460 0.179 0.000 1.103 2023 Y HN 0.010 nan 8.280 nan 0.000 0.624 2024 R N 0.690 121.187 120.500 -0.006 0.000 2.586 2024 R HA 0.151 4.490 4.340 -0.002 0.000 0.306 2024 R C 0.525 176.551 176.300 -0.456 0.000 1.079 2024 R CA 0.068 55.938 56.100 -0.384 0.000 1.083 2024 R CB 0.480 30.657 30.300 -0.204 0.000 1.306 2024 R HN 0.541 nan 8.270 nan 0.000 0.567 2025 E N 0.436 120.531 120.200 -0.175 0.000 2.330 2025 E HA 0.070 4.419 4.350 -0.002 0.000 0.200 2025 E C -0.176 176.471 176.600 0.078 0.000 0.922 2025 E CA 0.642 57.017 56.400 -0.042 0.000 0.935 2025 E CB 0.673 30.382 29.700 0.016 0.000 0.917 2025 E HN 0.264 nan 8.360 nan 0.000 0.491 2026 D N -0.132 120.378 120.400 0.182 0.000 2.252 2026 D HA 0.371 5.010 4.640 -0.002 0.000 0.245 2026 D C -1.009 175.558 176.300 0.444 0.000 1.009 2026 D CA -0.422 53.729 54.000 0.252 0.000 0.870 2026 D CB 1.947 42.851 40.800 0.173 0.000 1.251 2026 D HN -0.151 nan 8.370 nan 0.000 0.460 2027 F N 1.346 121.373 119.950 0.128 0.000 2.689 2027 F HA 0.240 4.766 4.527 -0.002 0.000 0.332 2027 F C -1.396 174.409 175.800 0.008 0.000 1.209 2027 F CA -0.487 57.541 58.000 0.047 0.000 1.028 2027 F CB 1.406 40.417 39.000 0.019 0.000 1.291 2027 F HN 0.256 nan 8.300 nan 0.000 0.500 2028 E N 7.657 127.510 120.200 -0.579 0.000 2.499 2028 E HA 0.327 4.676 4.350 -0.002 0.000 0.327 2028 E C -1.628 174.669 176.600 -0.504 0.000 0.929 2028 E CA -0.284 55.834 56.400 -0.471 0.000 0.788 2028 E CB 0.987 30.560 29.700 -0.212 0.000 1.452 2028 E HN 0.648 nan 8.360 nan 0.000 0.387 2029 I N 3.675 123.899 120.570 -0.577 0.000 2.322 2029 I HA 0.186 4.355 4.170 -0.002 0.000 0.292 2029 I C 0.394 176.258 176.117 -0.420 0.000 1.060 2029 I CA 0.015 61.044 61.300 -0.451 0.000 1.309 2029 I CB 0.788 38.565 38.000 -0.371 0.000 1.415 2029 I HN 0.433 nan 8.210 nan 0.000 0.492 2030 E N 6.165 126.073 120.200 -0.487 0.000 2.204 2030 E HA 0.597 4.946 4.350 -0.002 0.000 0.276 2030 E C -1.460 174.664 176.600 -0.794 0.000 0.974 2030 E CA -0.633 55.396 56.400 -0.619 0.000 0.815 2030 E CB 1.994 31.357 29.700 -0.561 0.000 1.119 2030 E HN 0.326 nan 8.360 nan 0.000 0.393 2031 V N 4.960 124.272 119.914 -1.004 0.000 2.789 2031 V HA 0.403 4.522 4.120 -0.002 0.000 0.311 2031 V C -0.260 175.398 176.094 -0.727 0.000 1.073 2031 V CA -0.681 61.053 62.300 -0.944 0.000 0.921 2031 V CB 1.892 33.062 31.823 -1.088 0.000 1.009 2031 V HN 0.778 nan 8.190 nan 0.000 0.426 2032 M N 4.282 123.604 119.600 -0.463 0.000 1.960 2032 M HA 0.354 4.833 4.480 -0.002 0.000 0.271 2032 M C -0.382 175.985 176.300 0.112 0.000 0.862 2032 M CA -0.015 55.209 55.300 -0.126 0.000 0.854 2032 M CB 1.045 33.579 32.600 -0.110 0.000 1.575 2032 M HN 0.749 nan 8.290 nan 0.000 0.375 2033 N N 3.154 121.919 118.700 0.109 0.000 2.444 2033 N HA 0.415 5.154 4.740 -0.002 0.000 0.271 2033 N C -1.698 174.039 175.510 0.378 0.000 1.069 2033 N CA -0.199 52.979 53.050 0.213 0.000 0.965 2033 N CB 0.916 39.587 38.487 0.305 0.000 1.092 2033 N HN 0.526 nan 8.380 nan 0.000 0.476 2034 Y N 0.700 121.105 120.300 0.174 0.000 2.562 2034 Y HA 0.534 5.083 4.550 -0.002 0.000 0.345 2034 Y C -0.794 175.187 175.900 0.135 0.000 1.045 2034 Y CA -1.071 57.142 58.100 0.188 0.000 1.028 2034 Y CB 0.790 39.345 38.460 0.157 0.000 1.297 2034 Y HN 0.396 nan 8.280 nan 0.000 0.463 2035 S N 1.760 117.588 115.700 0.214 0.000 2.801 2035 S HA 0.491 4.960 4.470 -0.002 0.000 0.312 2035 S C 0.525 175.235 174.600 0.183 0.000 1.112 2035 S CA -0.802 57.459 58.200 0.102 0.000 0.943 2035 S CB 0.795 64.046 63.200 0.084 0.000 1.269 2035 S HN 0.800 nan 8.310 nan 0.000 0.558 2036 I N 0.126 120.760 120.570 0.106 0.000 2.850 2036 I HA -0.037 4.132 4.170 -0.002 0.000 0.266 2036 I C 2.084 178.269 176.117 0.113 0.000 1.257 2036 I CA 1.304 62.664 61.300 0.101 0.000 1.465 2036 I CB -0.408 37.622 38.000 0.051 0.000 1.091 2036 I HN 0.607 nan 8.210 nan 0.000 0.467 2037 E N -0.153 120.124 120.200 0.128 0.000 2.441 2037 E HA 0.183 4.532 4.350 -0.002 0.000 0.212 2037 E C 0.444 177.129 176.600 0.142 0.000 0.840 2037 E CA 0.247 56.715 56.400 0.113 0.000 1.143 2037 E CB 0.885 30.632 29.700 0.077 0.000 1.153 2037 E HN 0.290 nan 8.360 nan 0.000 0.539 2038 E N -0.879 119.438 120.200 0.195 0.000 2.437 2038 E HA 0.377 4.726 4.350 -0.002 0.000 0.280 2038 E C -1.418 175.388 176.600 0.343 0.000 1.044 2038 E CA -0.733 55.781 56.400 0.189 0.000 0.826 2038 E CB 1.305 31.066 29.700 0.102 0.000 1.358 2038 E HN -0.035 nan 8.360 nan 0.000 0.459 2039 F N -0.477 119.552 119.950 0.132 0.000 2.741 2039 F HA 0.737 5.263 4.527 -0.002 0.000 0.311 2039 F C -1.576 174.296 175.800 0.120 0.000 1.149 2039 F CA -0.808 57.284 58.000 0.154 0.000 0.930 2039 F CB 0.805 39.897 39.000 0.153 0.000 1.312 2039 F HN 0.366 nan 8.300 nan 0.000 0.450 2040 R N 0.648 121.301 120.500 0.255 0.000 2.930 2040 R HA 0.741 5.079 4.340 -0.002 0.000 0.257 2040 R C -1.562 174.962 176.300 0.373 0.000 1.107 2040 R CA -1.000 55.193 56.100 0.155 0.000 0.999 2040 R CB 1.917 32.331 30.300 0.189 0.000 1.209 2040 R HN 0.826 nan 8.270 nan 0.000 0.486 2041 E N 0.596 120.955 120.200 0.265 0.000 2.335 2041 E HA 0.547 4.896 4.350 -0.002 0.000 0.280 2041 E C -1.313 175.393 176.600 0.177 0.000 0.918 2041 E CA -0.891 55.583 56.400 0.123 0.000 0.765 2041 E CB 1.820 31.579 29.700 0.098 0.000 1.218 2041 E HN 0.402 nan 8.360 nan 0.000 0.425 2042 F N -0.927 118.984 119.950 -0.065 0.000 2.711 2042 F HA 0.643 5.170 4.527 -0.001 0.000 0.313 2042 F C -1.051 174.680 175.800 -0.115 0.000 1.141 2042 F CA -1.219 56.741 58.000 -0.068 0.000 0.941 2042 F CB 1.898 40.876 39.000 -0.037 0.000 1.349 2042 F HN 0.261 nan 8.300 nan 0.000 0.464 2043 K N 1.199 121.646 120.400 0.078 0.000 3.022 2043 K HA 0.218 4.537 4.320 -0.002 0.000 0.178 2043 K C -0.509 176.105 176.600 0.024 0.000 1.089 2043 K CA -0.358 55.894 56.287 -0.059 0.000 0.916 2043 K CB 1.280 33.732 32.500 -0.081 0.000 1.159 2043 K HN 0.768 nan 8.250 nan 0.000 0.592 2044 T N 0.470 115.115 114.554 0.152 0.000 2.901 2044 T HA 0.012 4.361 4.350 -0.002 0.000 0.301 2044 T C 1.321 176.005 174.700 -0.025 0.000 1.012 2044 T CA 0.239 62.414 62.100 0.124 0.000 1.135 2044 T CB 0.703 69.719 68.868 0.246 0.000 0.936 2044 T HN 0.507 nan 8.240 nan 0.000 0.539 2045 T N 1.046 115.595 114.554 -0.008 0.000 3.145 2045 T HA 0.219 4.568 4.350 -0.002 0.000 0.255 2045 T C 0.196 174.979 174.700 0.139 0.000 1.039 2045 T CA -0.490 61.598 62.100 -0.019 0.000 0.928 2045 T CB -0.089 68.820 68.868 0.068 0.000 1.029 2045 T HN 0.593 nan 8.240 nan 0.000 0.554 2046 D N 0.559 121.018 120.400 0.097 0.000 2.210 2046 D HA 0.289 4.928 4.640 -0.002 0.000 0.249 2046 D C 1.280 177.650 176.300 0.116 0.000 1.078 2046 D CA -0.451 53.615 54.000 0.110 0.000 0.875 2046 D CB 1.909 42.750 40.800 0.069 0.000 1.175 2046 D HN -0.080 nan 8.370 nan 0.000 0.440 2047 V N 3.842 123.830 119.914 0.124 0.000 2.307 2047 V HA -0.117 4.002 4.120 -0.002 0.000 0.245 2047 V C 1.576 177.705 176.094 0.058 0.000 1.045 2047 V CA 1.578 63.944 62.300 0.110 0.000 1.024 2047 V CB -0.399 31.482 31.823 0.097 0.000 0.651 2047 V HN 0.583 nan 8.190 nan 0.000 0.449 2048 E N 1.055 121.271 120.200 0.026 0.000 2.204 2048 E HA -0.088 4.261 4.350 -0.002 0.000 0.194 2048 E C 2.193 178.791 176.600 -0.004 0.000 0.989 2048 E CA 1.319 57.704 56.400 -0.025 0.000 0.824 2048 E CB -0.450 29.227 29.700 -0.039 0.000 0.756 2048 E HN 0.849 nan 8.360 nan 0.000 0.477 2049 S N 0.271 116.002 115.700 0.052 0.000 2.727 2049 S HA -0.004 4.465 4.470 -0.002 0.000 0.226 2049 S C 1.636 176.386 174.600 0.250 0.000 0.963 2049 S CA 0.671 58.926 58.200 0.092 0.000 0.950 2049 S CB -0.377 62.867 63.200 0.073 0.000 0.779 2049 S HN 0.173 nan 8.310 nan 0.000 0.532 2050 V N -4.178 115.880 119.914 0.241 0.000 3.426 2050 V HA 0.400 4.519 4.120 -0.002 0.000 0.279 2050 V C 1.424 177.752 176.094 0.390 0.000 1.544 2050 V CA -0.158 62.393 62.300 0.419 0.000 1.017 2050 V CB -0.516 31.434 31.823 0.213 0.000 0.821 2050 V HN 0.273 nan 8.190 nan 0.000 0.432 2051 L N 1.528 122.804 121.223 0.088 0.000 2.083 2051 L HA 0.101 4.440 4.340 -0.002 0.000 0.209 2051 L C 0.055 176.871 176.870 -0.090 0.000 1.083 2051 L CA 2.439 57.167 54.840 -0.187 0.000 0.752 2051 L CB -1.625 39.953 42.059 -0.801 0.000 0.899 2051 L HN 0.347 nan 8.230 nan 0.000 0.433 2052 P HA -0.173 nan 4.420 nan 0.000 0.231 2052 P C 1.268 178.510 177.300 -0.097 0.000 1.158 2052 P CA 1.204 64.245 63.100 -0.099 0.000 0.763 2052 P CB -0.126 31.442 31.700 -0.221 0.000 0.805 2053 F N 0.079 120.099 119.950 0.116 0.000 2.802 2053 F HA 0.134 4.661 4.527 -0.002 0.000 0.300 2053 F C 2.612 178.526 175.800 0.190 0.000 1.168 2053 F CA 0.286 58.380 58.000 0.157 0.000 1.433 2053 F CB -0.546 38.568 39.000 0.190 0.000 1.115 2053 F HN -0.156 nan 8.300 nan 0.000 0.582 2054 R N 0.631 121.297 120.500 0.277 0.000 2.120 2054 R HA -0.145 4.193 4.340 -0.002 0.000 0.234 2054 R C 0.982 177.334 176.300 0.087 0.000 1.123 2054 R CA 1.922 58.076 56.100 0.091 0.000 0.975 2054 R CB -0.173 29.946 30.300 -0.301 0.000 0.866 2054 R HN 0.222 nan 8.270 nan 0.000 0.446 2055 D N -0.311 120.128 120.400 0.064 0.000 2.379 2055 D HA 0.043 4.682 4.640 -0.002 0.000 0.208 2055 D C -0.236 176.090 176.300 0.043 0.000 1.065 2055 D CA 0.136 54.154 54.000 0.030 0.000 0.848 2055 D CB 0.554 41.352 40.800 -0.004 0.000 0.949 2055 D HN 0.009 nan 8.370 nan 0.000 0.509 2056 S N 1.231 116.978 115.700 0.078 0.000 2.589 2056 S HA 0.000 4.469 4.470 -0.002 0.000 0.306 2056 S C 1.237 175.882 174.600 0.075 0.000 1.221 2056 S CA -0.066 58.184 58.200 0.084 0.000 1.159 2056 S CB 0.563 63.871 63.200 0.180 0.000 0.990 2056 S HN 0.043 nan 8.310 nan 0.000 0.514 2057 S N 2.652 118.375 115.700 0.039 0.000 2.723 2057 S HA -0.006 4.463 4.470 -0.002 0.000 0.231 2057 S C 1.007 175.609 174.600 0.004 0.000 0.967 2057 S CA 0.129 58.341 58.200 0.020 0.000 0.958 2057 S CB -0.421 62.784 63.200 0.008 0.000 0.778 2057 S HN 0.884 nan 8.310 nan 0.000 0.537 2058 T N 0.015 114.577 114.554 0.013 0.000 2.841 2058 T HA 0.444 4.793 4.350 -0.002 0.000 0.283 2058 T C -3.374 171.272 174.700 -0.091 0.000 1.000 2058 T CA -2.891 59.184 62.100 -0.041 0.000 0.977 2058 T CB 1.547 70.411 68.868 -0.006 0.000 0.979 2058 T HN -0.300 nan 8.240 nan 0.000 0.446 2059 P HA 0.052 nan 4.420 nan 0.000 0.253 2059 P C 0.373 177.513 177.300 -0.267 0.000 1.159 2059 P CA 0.499 63.375 63.100 -0.374 0.000 0.779 2059 P CB -0.233 30.963 31.700 -0.839 0.000 0.745 2060 T N 0.595 115.131 114.554 -0.030 0.000 2.925 2060 T HA 0.560 4.909 4.350 -0.002 0.000 0.285 2060 T C -1.344 173.430 174.700 0.122 0.000 1.021 2060 T CA -0.807 61.324 62.100 0.050 0.000 1.042 2060 T CB 1.177 70.086 68.868 0.069 0.000 1.037 2060 T HN 0.282 nan 8.240 nan 0.000 0.481 2061 W N 4.393 125.612 121.300 -0.136 0.000 2.516 2061 W HA 0.554 5.213 4.660 -0.002 0.000 0.293 2061 W C -1.787 174.565 176.519 -0.279 0.000 1.006 2061 W CA -2.543 54.696 57.345 -0.177 0.000 1.483 2061 W CB -0.031 29.352 29.460 -0.128 0.000 1.316 2061 W HN 0.673 nan 8.180 nan 0.000 0.411 2062 I N 5.577 126.089 120.570 -0.097 0.000 2.224 2062 I HA 0.046 4.215 4.170 -0.002 0.000 0.293 2062 I C 0.617 176.518 176.117 -0.360 0.000 1.155 2062 I CA -0.324 60.785 61.300 -0.317 0.000 1.297 2062 I CB -0.362 37.485 38.000 -0.254 0.000 1.487 2062 I HN 0.289 nan 8.210 nan 0.000 0.564 2063 N N 6.746 125.138 118.700 -0.513 0.000 2.420 2063 N HA 0.219 4.958 4.740 -0.002 0.000 0.262 2063 N C -0.527 174.756 175.510 -0.378 0.000 1.144 2063 N CA -0.015 52.793 53.050 -0.403 0.000 0.952 2063 N CB 0.519 38.694 38.487 -0.521 0.000 1.081 2063 N HN 0.440 nan 8.380 nan 0.000 0.480 2064 I N 3.160 123.522 120.570 -0.347 0.000 2.361 2064 I HA 0.153 4.322 4.170 -0.002 0.000 0.282 2064 I C -0.038 176.012 176.117 -0.113 0.000 1.075 2064 I CA -0.629 60.520 61.300 -0.252 0.000 1.205 2064 I CB 0.481 38.355 38.000 -0.208 0.000 1.406 2064 I HN 0.354 nan 8.210 nan 0.000 0.481 2065 T N 3.924 118.391 114.554 -0.146 0.000 2.794 2065 T HA 0.478 4.827 4.350 -0.002 0.000 0.296 2065 T C 0.701 175.420 174.700 0.031 0.000 0.949 2065 T CA -0.275 61.797 62.100 -0.046 0.000 1.101 2065 T CB 1.154 69.979 68.868 -0.072 0.000 0.905 2065 T HN 0.969 nan 8.240 nan 0.000 0.516 2066 G N 2.979 111.850 108.800 0.117 0.000 2.980 2066 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.255 2066 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.255 2066 G C 0.478 175.397 174.900 0.032 0.000 1.020 2066 G CA -0.619 44.597 45.100 0.193 0.000 1.230 2066 G HN 0.796 nan 8.290 nan 0.000 0.580 2067 I N 0.647 121.175 120.570 -0.070 0.000 2.756 2067 I HA -0.122 4.047 4.170 -0.002 0.000 0.262 2067 I C 2.486 178.270 176.117 -0.555 0.000 1.225 2067 I CA 1.415 62.590 61.300 -0.209 0.000 1.472 2067 I CB -0.401 37.529 38.000 -0.117 0.000 1.094 2067 I HN 0.779 nan 8.210 nan 0.000 0.454 2068 H N 0.836 119.463 119.070 -0.739 0.000 2.492 2068 H HA -0.059 4.495 4.556 -0.002 0.000 0.296 2068 H C 0.992 176.143 175.328 -0.295 0.000 1.095 2068 H CA 0.709 56.329 56.048 -0.712 0.000 1.281 2068 H CB -0.427 29.135 29.762 -0.333 0.000 1.374 2068 H HN 0.073 nan 8.280 nan 0.000 0.545 2069 R N 2.370 122.449 120.500 -0.702 0.000 2.893 2069 R HA 0.008 4.346 4.340 -0.002 0.000 0.243 2069 R C 1.024 177.171 176.300 -0.255 0.000 1.481 2069 R CA 0.710 56.513 56.100 -0.496 0.000 1.250 2069 R CB -0.262 29.556 30.300 -0.803 0.000 1.213 2069 R HN 0.717 nan 8.270 nan 0.000 0.609 2070 T N -1.444 113.027 114.554 -0.138 0.000 2.778 2070 T HA -0.239 4.110 4.350 -0.002 0.000 0.269 2070 T C 1.235 175.901 174.700 -0.057 0.000 1.050 2070 T CA 1.843 63.906 62.100 -0.063 0.000 1.137 2070 T CB -0.061 68.804 68.868 -0.006 0.000 0.860 2070 T HN 0.513 nan 8.240 nan 0.000 0.468 2071 D N 1.299 121.653 120.400 -0.076 0.000 2.144 2071 D HA -0.078 4.561 4.640 -0.002 0.000 0.199 2071 D C 2.006 178.284 176.300 -0.036 0.000 0.984 2071 D CA 0.747 54.714 54.000 -0.055 0.000 0.834 2071 D CB -0.744 40.014 40.800 -0.069 0.000 0.955 2071 D HN 0.400 nan 8.370 nan 0.000 0.465 2072 V N 0.500 120.378 119.914 -0.060 0.000 2.307 2072 V HA -0.207 3.912 4.120 -0.002 0.000 0.245 2072 V C 2.623 178.768 176.094 0.085 0.000 1.045 2072 V CA 1.319 63.634 62.300 0.025 0.000 1.024 2072 V CB -0.288 31.573 31.823 0.063 0.000 0.651 2072 V HN 0.215 nan 8.190 nan 0.000 0.449 2073 V N -0.390 119.567 119.914 0.071 0.000 2.427 2073 V HA -0.322 3.797 4.120 -0.002 0.000 0.248 2073 V C 2.382 178.503 176.094 0.046 0.000 1.051 2073 V CA 2.210 64.566 62.300 0.093 0.000 1.048 2073 V CB -0.737 31.080 31.823 -0.010 0.000 0.666 2073 V HN 0.598 nan 8.190 nan 0.000 0.456 2074 Q N 0.107 119.916 119.800 0.016 0.000 2.096 2074 Q HA -0.313 4.026 4.340 -0.002 0.000 0.204 2074 Q C 2.423 178.452 176.000 0.049 0.000 0.982 2074 Q CA 2.349 58.161 55.803 0.014 0.000 0.850 2074 Q CB -0.036 28.704 28.738 0.003 0.000 0.901 2074 Q HN 0.539 nan 8.270 nan 0.000 0.422 2075 R N -0.451 120.088 120.500 0.065 0.000 2.057 2075 R HA -0.087 4.252 4.340 -0.002 0.000 0.229 2075 R C 2.115 178.512 176.300 0.161 0.000 1.136 2075 R CA 1.707 57.861 56.100 0.090 0.000 0.952 2075 R CB -0.668 29.669 30.300 0.062 0.000 0.848 2075 R HN 0.166 nan 8.270 nan 0.000 0.430 2076 V N 0.415 120.439 119.914 0.183 0.000 2.392 2076 V HA -0.160 3.958 4.120 -0.002 0.000 0.249 2076 V C 2.270 178.578 176.094 0.358 0.000 1.059 2076 V CA 2.112 64.592 62.300 0.300 0.000 1.051 2076 V CB -1.110 30.862 31.823 0.248 0.000 0.658 2076 V HN 0.676 nan 8.190 nan 0.000 0.455 2077 G N -0.970 107.946 108.800 0.195 0.000 2.408 2077 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.217 2077 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.217 2077 G C 1.488 176.448 174.900 0.099 0.000 1.150 2077 G CA 0.593 45.753 45.100 0.100 0.000 0.776 2077 G HN 0.546 nan 8.290 nan 0.000 0.542 2078 E N -0.721 119.545 120.200 0.111 0.000 2.150 2078 E HA -0.045 4.304 4.350 -0.002 0.000 0.193 2078 E C 1.949 178.623 176.600 0.123 0.000 0.985 2078 E CA 0.351 56.801 56.400 0.084 0.000 0.814 2078 E CB -0.113 29.632 29.700 0.075 0.000 0.752 2078 E HN 0.482 nan 8.360 nan 0.000 0.466 2079 F N -0.088 119.893 119.950 0.051 0.000 2.149 2079 F HA -0.057 4.469 4.527 -0.002 0.000 0.294 2079 F C 1.549 177.321 175.800 -0.047 0.000 1.095 2079 F CA 1.034 59.033 58.000 -0.002 0.000 1.276 2079 F CB -0.075 38.929 39.000 0.007 0.000 1.023 2079 F HN -0.109 nan 8.300 nan 0.000 0.480 2080 F N 0.776 120.775 119.950 0.082 0.000 2.802 2080 F HA 0.190 4.716 4.527 -0.002 0.000 0.300 2080 F C 1.821 177.575 175.800 -0.078 0.000 1.168 2080 F CA 0.921 58.913 58.000 -0.014 0.000 1.433 2080 F CB -0.513 38.516 39.000 0.048 0.000 1.115 2080 F HN 0.198 nan 8.300 nan 0.000 0.582 2081 G N 1.079 109.896 108.800 0.029 0.000 2.143 2081 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.248 2081 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.248 2081 G C 0.273 175.187 174.900 0.023 0.000 0.991 2081 G CA -0.100 44.999 45.100 -0.002 0.000 0.689 2081 G HN 0.315 nan 8.290 nan 0.000 0.522 2082 I N 1.112 121.641 120.570 -0.067 0.000 2.496 2082 I HA 0.239 4.408 4.170 -0.002 0.000 0.285 2082 I C 1.273 177.329 176.117 -0.101 0.000 1.080 2082 I CA -0.917 60.249 61.300 -0.223 0.000 1.404 2082 I CB 0.356 38.119 38.000 -0.395 0.000 1.403 2082 I HN 0.120 nan 8.210 nan 0.000 0.539 2083 H N 7.977 126.979 119.070 -0.114 0.000 2.998 2083 H HA -0.016 4.539 4.556 -0.002 0.000 0.353 2083 H C -1.317 173.934 175.328 -0.128 0.000 1.099 2083 H CA -0.658 55.311 56.048 -0.132 0.000 1.393 2083 H CB 0.113 29.741 29.762 -0.223 0.000 1.343 2083 H HN 0.415 nan 8.280 nan 0.000 0.609 2084 P HA -0.129 nan 4.420 nan 0.000 0.219 2084 P C 1.265 178.561 177.300 -0.007 0.000 1.150 2084 P CA 1.295 64.387 63.100 -0.013 0.000 0.814 2084 P CB 0.182 31.881 31.700 -0.003 0.000 0.787 2085 L N -3.247 117.994 121.223 0.030 0.000 2.209 2085 L HA 0.104 4.443 4.340 -0.002 0.000 0.207 2085 L C 2.230 179.108 176.870 0.013 0.000 1.094 2085 L CA 0.777 55.639 54.840 0.037 0.000 0.790 2085 L CB -1.543 40.561 42.059 0.075 0.000 0.932 2085 L HN -0.305 nan 8.230 nan 0.000 0.447 2086 V N 0.717 120.607 119.914 -0.039 0.000 2.970 2086 V HA -0.105 4.014 4.120 -0.002 0.000 0.260 2086 V C 2.393 178.244 176.094 -0.405 0.000 1.100 2086 V CA 1.271 63.452 62.300 -0.198 0.000 1.122 2086 V CB -0.034 31.630 31.823 -0.267 0.000 0.721 2086 V HN 0.403 nan 8.190 nan 0.000 0.483 2087 L N -0.570 120.495 121.223 -0.264 0.000 2.127 2087 L HA -0.079 4.260 4.340 -0.002 0.000 0.203 2087 L C 2.482 179.255 176.870 -0.162 0.000 1.080 2087 L CA 1.406 56.081 54.840 -0.275 0.000 0.768 2087 L CB -0.482 41.458 42.059 -0.198 0.000 0.924 2087 L HN 0.328 nan 8.230 nan 0.000 0.444 2088 E N 0.612 120.769 120.200 -0.071 0.000 2.097 2088 E HA -0.282 4.067 4.350 -0.002 0.000 0.196 2088 E C 1.507 178.120 176.600 0.023 0.000 1.000 2088 E CA 1.825 58.219 56.400 -0.009 0.000 0.804 2088 E CB 0.103 29.814 29.700 0.018 0.000 0.740 2088 E HN 0.438 nan 8.360 nan 0.000 0.454 2089 D N 0.228 120.662 120.400 0.056 0.000 2.178 2089 D HA -0.153 4.486 4.640 -0.002 0.000 0.201 2089 D C 1.928 178.312 176.300 0.141 0.000 0.980 2089 D CA 0.865 54.951 54.000 0.142 0.000 0.842 2089 D CB -0.209 40.772 40.800 0.302 0.000 0.948 2089 D HN 0.367 nan 8.370 nan 0.000 0.472 2090 I N 0.032 120.635 120.570 0.054 0.000 2.394 2090 I HA -0.200 3.969 4.170 -0.002 0.000 0.251 2090 I C 1.981 178.105 176.117 0.012 0.000 1.136 2090 I CA 0.763 62.045 61.300 -0.030 0.000 1.425 2090 I CB -0.068 37.678 38.000 -0.422 0.000 1.079 2090 I HN -0.034 nan 8.210 nan 0.000 0.425 2091 L N -0.366 120.878 121.223 0.034 0.000 2.307 2091 L HA 0.035 4.374 4.340 -0.002 0.000 0.211 2091 L C 0.996 177.954 176.870 0.146 0.000 1.099 2091 L CA 0.317 55.260 54.840 0.172 0.000 0.816 2091 L CB -0.385 41.757 42.059 0.139 0.000 0.952 2091 L HN 0.142 nan 8.230 nan 0.000 0.455 2092 N N 0.627 119.360 118.700 0.055 0.000 2.555 2092 N HA 0.062 4.801 4.740 -0.002 0.000 0.244 2092 N C 0.892 176.374 175.510 -0.048 0.000 1.114 2092 N CA -0.080 52.963 53.050 -0.012 0.000 0.963 2092 N CB 1.161 39.667 38.487 0.032 0.000 1.276 2092 N HN 0.053 nan 8.380 nan 0.000 0.510 2093 V N 0.689 120.490 119.914 -0.189 0.000 3.041 2093 V HA 0.043 4.162 4.120 -0.002 0.000 0.260 2093 V C 0.567 176.569 176.094 -0.154 0.000 1.105 2093 V CA 0.914 63.108 62.300 -0.177 0.000 1.125 2093 V CB -0.710 30.988 31.823 -0.208 0.000 0.730 2093 V HN 0.504 nan 8.190 nan 0.000 0.479 2094 H N 2.561 121.645 119.070 0.023 0.000 2.970 2094 H HA 0.566 5.121 4.556 -0.002 0.000 0.226 2094 H C -0.117 175.234 175.328 0.038 0.000 1.909 2094 H CA 0.252 56.319 56.048 0.032 0.000 1.388 2094 H CB -0.477 29.297 29.762 0.021 0.000 1.773 2094 H HN 0.653 nan 8.280 nan 0.000 0.559 2095 Q N 1.066 120.937 119.800 0.118 0.000 2.345 2095 Q HA 0.321 4.660 4.340 -0.002 0.000 0.275 2095 Q C -0.195 175.846 176.000 0.069 0.000 1.063 2095 Q CA -1.156 54.699 55.803 0.086 0.000 0.819 2095 Q CB 2.671 31.451 28.738 0.068 0.000 1.356 2095 Q HN 0.321 nan 8.270 nan 0.000 0.418 2096 R N 1.588 122.126 120.500 0.063 0.000 2.489 2096 R HA 0.223 4.561 4.340 -0.002 0.000 0.287 2096 R C -2.347 173.965 176.300 0.020 0.000 1.053 2096 R CA -1.744 54.389 56.100 0.055 0.000 1.036 2096 R CB -0.632 29.703 30.300 0.059 0.000 0.966 2096 R HN 0.337 nan 8.270 nan 0.000 0.432 2097 P HA -0.050 nan 4.420 nan 0.000 0.263 2097 P C -0.351 176.911 177.300 -0.063 0.000 1.175 2097 P CA 0.625 63.704 63.100 -0.035 0.000 0.761 2097 P CB 0.370 32.063 31.700 -0.011 0.000 0.794 2098 K N 0.533 120.850 120.400 -0.139 0.000 2.533 2098 K HA 0.734 5.053 4.320 -0.002 0.000 0.272 2098 K C -1.795 174.636 176.600 -0.281 0.000 0.985 2098 K CA -1.204 54.981 56.287 -0.171 0.000 0.876 2098 K CB 1.728 34.145 32.500 -0.140 0.000 1.452 2098 K HN 0.127 nan 8.250 nan 0.000 0.439 2099 V N 1.264 120.998 119.914 -0.300 0.000 2.444 2099 V HA 0.345 4.464 4.120 -0.002 0.000 0.294 2099 V C -1.227 174.558 176.094 -0.517 0.000 1.022 2099 V CA -0.336 61.695 62.300 -0.448 0.000 0.850 2099 V CB 1.520 33.043 31.823 -0.501 0.000 0.992 2099 V HN 0.788 nan 8.190 nan 0.000 0.426 2100 E N 6.332 126.271 120.200 -0.435 0.000 2.113 2100 E HA 0.356 4.705 4.350 -0.002 0.000 0.273 2100 E C -1.431 174.891 176.600 -0.464 0.000 0.924 2100 E CA -0.309 55.876 56.400 -0.358 0.000 0.764 2100 E CB 1.832 31.587 29.700 0.091 0.000 1.104 2100 E HN 0.549 nan 8.360 nan 0.000 0.406 2101 F N 2.605 122.326 119.950 -0.382 0.000 2.404 2101 F HA 0.407 4.933 4.527 -0.002 0.000 0.345 2101 F C 0.157 175.568 175.800 -0.649 0.000 1.110 2101 F CA -0.330 57.471 58.000 -0.331 0.000 1.130 2101 F CB 0.448 39.323 39.000 -0.208 0.000 1.129 2101 F HN 0.346 nan 8.300 nan 0.000 0.500 2102 F N 0.267 120.236 119.950 0.032 0.000 2.691 2102 F HA 0.321 4.847 4.527 -0.002 0.000 0.334 2102 F C 1.366 177.073 175.800 -0.156 0.000 1.107 2102 F CA -0.957 56.926 58.000 -0.195 0.000 0.991 2102 F CB 1.024 39.655 39.000 -0.614 0.000 1.400 2102 F HN 0.344 nan 8.300 nan 0.000 0.503 2103 E N 0.361 120.621 120.200 0.100 0.000 2.110 2103 E HA -0.151 4.198 4.350 -0.002 0.000 0.193 2103 E C 0.848 177.462 176.600 0.023 0.000 0.988 2103 E CA 2.301 58.728 56.400 0.044 0.000 0.804 2103 E CB -0.071 29.664 29.700 0.059 0.000 0.745 2103 E HN 0.686 nan 8.360 nan 0.000 0.458 2104 N N -2.092 116.598 118.700 -0.016 0.000 2.591 2104 N HA 0.099 4.838 4.740 -0.002 0.000 0.200 2104 N C -0.507 175.095 175.510 0.153 0.000 1.040 2104 N CA 0.390 53.484 53.050 0.073 0.000 0.911 2104 N CB 0.242 38.830 38.487 0.167 0.000 1.259 2104 N HN 0.116 nan 8.380 nan 0.000 0.438 2105 Y N -0.626 119.812 120.300 0.230 0.000 2.524 2105 Y HA 0.757 5.305 4.550 -0.002 0.000 0.344 2105 Y C -0.725 175.370 175.900 0.325 0.000 1.012 2105 Y CA -1.634 56.608 58.100 0.236 0.000 1.068 2105 Y CB 0.769 39.352 38.460 0.205 0.000 1.249 2105 Y HN -0.370 nan 8.280 nan 0.000 0.468 2106 V N 4.069 124.251 119.914 0.447 0.000 2.407 2106 V HA 0.255 4.374 4.120 -0.002 0.000 0.278 2106 V C -0.882 175.488 176.094 0.459 0.000 1.037 2106 V CA -0.480 62.056 62.300 0.392 0.000 0.900 2106 V CB 0.862 32.865 31.823 0.300 0.000 0.983 2106 V HN 0.693 nan 8.190 nan 0.000 0.459 2107 F N 6.999 127.085 119.950 0.226 0.000 2.426 2107 F HA 0.741 5.267 4.527 -0.002 0.000 0.348 2107 F C -0.517 175.299 175.800 0.027 0.000 1.124 2107 F CA -1.536 56.582 58.000 0.197 0.000 1.008 2107 F CB 1.001 40.213 39.000 0.353 0.000 1.139 2107 F HN 0.324 nan 8.300 nan 0.000 0.452 2108 I N 6.591 126.981 120.570 -0.301 0.000 2.545 2108 I HA 0.483 4.651 4.170 -0.002 0.000 0.292 2108 I C -1.143 174.674 176.117 -0.500 0.000 1.040 2108 I CA -1.161 59.886 61.300 -0.422 0.000 1.068 2108 I CB 2.144 40.048 38.000 -0.160 0.000 1.251 2108 I HN 0.257 nan 8.210 nan 0.000 0.424 2109 V N 6.618 126.240 119.914 -0.488 0.000 2.459 2109 V HA 0.590 4.709 4.120 -0.002 0.000 0.295 2109 V C -0.169 175.845 176.094 -0.133 0.000 1.029 2109 V CA -0.552 61.587 62.300 -0.268 0.000 0.874 2109 V CB 1.672 33.341 31.823 -0.256 0.000 0.985 2109 V HN 0.503 nan 8.190 nan 0.000 0.438 2110 L N 3.699 124.891 121.223 -0.052 0.000 2.350 2110 L HA 0.700 5.039 4.340 -0.002 0.000 0.260 2110 L C -0.450 176.406 176.870 -0.024 0.000 1.015 2110 L CA -0.854 53.966 54.840 -0.033 0.000 0.821 2110 L CB 2.804 44.857 42.059 -0.011 0.000 1.370 2110 L HN 0.535 nan 8.230 nan 0.000 0.416 2111 K N 2.936 123.303 120.400 -0.054 0.000 2.378 2111 K HA 0.664 4.983 4.320 -0.002 0.000 0.252 2111 K C -1.196 175.301 176.600 -0.173 0.000 0.931 2111 K CA -0.639 55.555 56.287 -0.155 0.000 0.794 2111 K CB 2.648 35.000 32.500 -0.246 0.000 1.181 2111 K HN 0.565 nan 8.250 nan 0.000 0.425 2112 M N 0.595 120.061 119.600 -0.223 0.000 2.456 2112 M HA 0.560 5.039 4.480 -0.002 0.000 0.324 2112 M C -1.249 174.876 176.300 -0.290 0.000 1.124 2112 M CA -0.749 54.486 55.300 -0.108 0.000 0.959 2112 M CB 1.079 33.664 32.600 -0.024 0.000 1.692 2112 M HN 0.216 nan 8.290 nan 0.000 0.444 2113 F N 0.032 119.986 119.950 0.007 0.000 2.541 2113 F HA 0.748 5.274 4.527 -0.002 0.000 0.331 2113 F C -0.011 175.780 175.800 -0.014 0.000 1.057 2113 F CA -0.533 57.440 58.000 -0.046 0.000 0.975 2113 F CB 2.484 41.385 39.000 -0.165 0.000 1.246 2113 F HN 0.597 nan 8.300 nan 0.000 0.484 2114 T N 1.080 115.806 114.554 0.286 0.000 2.949 2114 T HA 0.198 4.547 4.350 -0.002 0.000 0.300 2114 T C -1.794 173.027 174.700 0.203 0.000 0.988 2114 T CA -0.410 61.799 62.100 0.182 0.000 0.993 2114 T CB 0.402 69.347 68.868 0.127 0.000 0.984 2114 T HN 0.348 nan 8.240 nan 0.000 0.442 2115 Y N 3.444 123.762 120.300 0.031 0.000 2.434 2115 Y HA 0.300 4.849 4.550 -0.002 0.000 0.341 2115 Y C 0.202 176.110 175.900 0.013 0.000 0.965 2115 Y CA -1.475 56.627 58.100 0.003 0.000 1.205 2115 Y CB 0.524 38.971 38.460 -0.022 0.000 1.121 2115 Y HN 0.539 nan 8.280 nan 0.000 0.507 2116 D N 6.448 126.627 120.400 -0.368 0.000 2.346 2116 D HA -0.011 4.628 4.640 -0.002 0.000 0.267 2116 D C -0.170 175.744 176.300 -0.643 0.000 1.320 2116 D CA 0.163 53.941 54.000 -0.370 0.000 0.951 2116 D CB 0.255 40.904 40.800 -0.253 0.000 1.079 2116 D HN 0.600 nan 8.370 nan 0.000 0.509 2117 K N 3.674 123.835 120.400 -0.399 0.000 2.319 2117 K HA -0.013 4.306 4.320 -0.002 0.000 0.265 2117 K C 1.148 177.569 176.600 -0.297 0.000 1.000 2117 K CA -0.084 56.032 56.287 -0.286 0.000 0.943 2117 K CB 0.555 33.018 32.500 -0.063 0.000 0.950 2117 K HN 0.545 nan 8.250 nan 0.000 0.485 2118 N N -0.026 118.466 118.700 -0.346 0.000 3.634 2118 N HA -0.307 4.432 4.740 -0.002 0.000 0.229 2118 N C -0.122 174.970 175.510 -0.697 0.000 0.175 2118 N CA 1.614 54.389 53.050 -0.458 0.000 3.570 2118 N CB -0.897 37.447 38.487 -0.238 0.000 1.183 2118 N HN 0.454 nan 8.380 nan 0.000 0.257 2119 L N 5.163 126.132 121.223 -0.424 0.000 2.449 2119 L HA 0.095 4.434 4.340 -0.002 0.000 0.266 2119 L C -0.303 176.373 176.870 -0.324 0.000 1.321 2119 L CA 0.603 55.252 54.840 -0.319 0.000 1.194 2119 L CB -1.407 40.535 42.059 -0.194 0.000 1.384 2119 L HN 0.151 nan 8.230 nan 0.000 0.438 2120 H N 3.697 122.682 119.070 -0.142 0.000 3.444 2120 H HA 0.188 4.743 4.556 -0.002 0.000 0.224 2120 H C 0.085 175.382 175.328 -0.053 0.000 1.034 2120 H CA 0.611 56.591 56.048 -0.115 0.000 1.416 2120 H CB -0.124 29.651 29.762 0.022 0.000 1.591 2120 H HN 0.591 nan 8.280 nan 0.000 0.522 2121 E N 3.123 123.301 120.200 -0.035 0.000 2.400 2121 E HA 0.225 4.574 4.350 -0.002 0.000 0.285 2121 E C -1.494 175.137 176.600 0.052 0.000 1.005 2121 E CA -0.838 55.587 56.400 0.042 0.000 0.816 2121 E CB 1.429 31.125 29.700 -0.007 0.000 1.220 2121 E HN 0.470 nan 8.360 nan 0.000 0.426 2122 L N 0.589 121.902 121.223 0.151 0.000 2.354 2122 L HA 0.817 5.156 4.340 -0.002 0.000 0.269 2122 L C -0.763 176.196 176.870 0.149 0.000 1.005 2122 L CA -0.741 54.202 54.840 0.171 0.000 0.819 2122 L CB 2.094 44.217 42.059 0.106 0.000 1.311 2122 L HN 0.541 nan 8.230 nan 0.000 0.423 2123 E N 1.104 121.435 120.200 0.219 0.000 2.277 2123 E HA 0.554 4.902 4.350 -0.002 0.000 0.266 2123 E C -1.475 175.345 176.600 0.367 0.000 0.901 2123 E CA -0.618 55.938 56.400 0.259 0.000 0.782 2123 E CB 2.317 32.141 29.700 0.208 0.000 1.228 2123 E HN 0.682 nan 8.360 nan 0.000 0.424 2124 S N 2.202 118.076 115.700 0.290 0.000 2.707 2124 S HA 0.256 4.725 4.470 -0.002 0.000 0.303 2124 S C -1.408 173.184 174.600 -0.014 0.000 1.132 2124 S CA -0.766 57.521 58.200 0.146 0.000 1.046 2124 S CB 0.573 63.919 63.200 0.244 0.000 1.004 2124 S HN 0.509 nan 8.310 nan 0.000 0.483 2125 E N 3.442 123.569 120.200 -0.122 0.000 2.191 2125 E HA 0.416 4.765 4.350 -0.002 0.000 0.274 2125 E C -0.679 175.852 176.600 -0.115 0.000 0.948 2125 E CA -0.847 55.458 56.400 -0.158 0.000 0.802 2125 E CB 1.154 30.720 29.700 -0.222 0.000 1.137 2125 E HN 0.532 nan 8.360 nan 0.000 0.397 2126 Q N 3.093 122.859 119.800 -0.056 0.000 2.314 2126 Q HA 0.323 4.662 4.340 -0.002 0.000 0.259 2126 Q C -1.372 174.663 176.000 0.059 0.000 0.951 2126 Q CA -0.846 54.951 55.803 -0.010 0.000 0.909 2126 Q CB 1.651 30.392 28.738 0.006 0.000 1.236 2126 Q HN 0.577 nan 8.270 nan 0.000 0.444 2127 V N 3.052 123.014 119.914 0.080 0.000 2.398 2127 V HA 0.380 4.498 4.120 -0.002 0.000 0.286 2127 V C -0.292 175.901 176.094 0.165 0.000 1.026 2127 V CA -0.602 61.796 62.300 0.164 0.000 0.868 2127 V CB 1.629 33.594 31.823 0.236 0.000 0.982 2127 V HN 0.738 nan 8.190 nan 0.000 0.443 2128 S N 5.875 121.731 115.700 0.260 0.000 2.525 2128 S HA 0.802 5.271 4.470 -0.002 0.000 0.290 2128 S C -0.535 174.286 174.600 0.369 0.000 1.152 2128 S CA -0.594 57.797 58.200 0.318 0.000 1.072 2128 S CB 1.268 64.720 63.200 0.420 0.000 1.027 2128 S HN 0.530 nan 8.310 nan 0.000 0.500 2129 L N 3.043 124.437 121.223 0.285 0.000 2.409 2129 L HA 0.595 4.934 4.340 -0.002 0.000 0.272 2129 L C -1.153 175.902 176.870 0.309 0.000 0.980 2129 L CA -0.423 54.539 54.840 0.204 0.000 0.826 2129 L CB 1.440 43.523 42.059 0.039 0.000 1.268 2129 L HN 0.532 nan 8.230 nan 0.000 0.407 2130 I N 4.283 125.003 120.570 0.250 0.000 2.410 2130 I HA 0.308 4.477 4.170 -0.002 0.000 0.286 2130 I C -0.861 175.320 176.117 0.107 0.000 1.009 2130 I CA -0.589 60.848 61.300 0.228 0.000 1.111 2130 I CB 2.200 40.271 38.000 0.118 0.000 1.262 2130 I HN 0.349 nan 8.210 nan 0.000 0.443 2131 L N 6.852 128.169 121.223 0.156 0.000 2.262 2131 L HA 0.577 4.916 4.340 -0.002 0.000 0.288 2131 L C -0.290 176.682 176.870 0.170 0.000 1.035 2131 L CA 0.427 55.326 54.840 0.099 0.000 0.820 2131 L CB 1.325 43.415 42.059 0.050 0.000 1.204 2131 L HN 0.584 nan 8.230 nan 0.000 0.424 2132 T N 4.492 119.133 114.554 0.144 0.000 2.937 2132 T HA 0.425 4.774 4.350 -0.002 0.000 0.297 2132 T C 0.389 175.185 174.700 0.160 0.000 0.991 2132 T CA -0.116 62.106 62.100 0.204 0.000 0.990 2132 T CB 0.511 69.556 68.868 0.294 0.000 0.991 2132 T HN 0.824 nan 8.240 nan 0.000 0.440 2133 K N 3.087 123.559 120.400 0.120 0.000 3.860 2133 K HA -0.238 4.081 4.320 -0.002 0.000 0.215 2133 K C 0.230 176.861 176.600 0.051 0.000 0.729 2133 K CA 2.297 58.632 56.287 0.080 0.000 0.634 2133 K CB -0.971 31.586 32.500 0.095 0.000 0.774 2133 K HN 0.687 nan 8.250 nan 0.000 0.793 2134 N N 0.306 119.047 118.700 0.068 0.000 2.401 2134 N HA 0.206 4.945 4.740 -0.002 0.000 0.264 2134 N C -1.137 174.408 175.510 0.058 0.000 1.238 2134 N CA 0.177 53.246 53.050 0.032 0.000 0.889 2134 N CB 0.497 38.995 38.487 0.018 0.000 1.196 2134 N HN 0.225 nan 8.380 nan 0.000 0.511 2135 C N 0.896 120.247 119.300 0.085 0.000 2.381 2135 C HA 0.433 4.892 4.460 -0.002 0.000 0.328 2135 C C 0.529 175.523 174.990 0.007 0.000 1.190 2135 C CA -0.943 58.122 59.018 0.079 0.000 1.369 2135 C CB 1.104 28.949 27.740 0.176 0.000 2.029 2135 C HN -0.007 nan 8.230 nan 0.000 0.448 2136 V N 4.585 124.486 119.914 -0.022 0.000 2.270 2136 V HA 0.234 4.353 4.120 -0.002 0.000 0.263 2136 V C 0.179 176.232 176.094 -0.067 0.000 1.066 2136 V CA -0.042 62.214 62.300 -0.074 0.000 0.857 2136 V CB 0.648 32.368 31.823 -0.172 0.000 1.099 2136 V HN 0.808 nan 8.190 nan 0.000 0.476 2137 L N 5.295 126.434 121.223 -0.140 0.000 2.319 2137 L HA 0.511 4.850 4.340 -0.002 0.000 0.280 2137 L C -0.022 176.669 176.870 -0.299 0.000 1.099 2137 L CA 0.165 54.835 54.840 -0.284 0.000 0.828 2137 L CB 1.209 43.011 42.059 -0.429 0.000 1.150 2137 L HN 0.644 nan 8.230 nan 0.000 0.442 2138 M N 4.005 123.355 119.600 -0.416 0.000 2.664 2138 M HA 0.514 4.993 4.480 -0.002 0.000 0.314 2138 M C -1.739 174.158 176.300 -0.672 0.000 1.200 2138 M CA -0.328 54.791 55.300 -0.301 0.000 0.916 2138 M CB 1.874 34.496 32.600 0.036 0.000 1.717 2138 M HN 0.365 nan 8.290 nan 0.000 0.470 2139 F N 2.067 122.061 119.950 0.074 0.000 2.828 2139 F HA 0.403 4.929 4.527 -0.002 0.000 0.355 2139 F C -0.637 175.215 175.800 0.087 0.000 1.200 2139 F CA -0.601 57.437 58.000 0.064 0.000 1.062 2139 F CB 1.503 40.541 39.000 0.065 0.000 1.351 2139 F HN 0.466 nan 8.300 nan 0.000 0.504 2140 Q N 2.379 122.300 119.800 0.201 0.000 2.257 2140 Q HA 0.338 4.677 4.340 -0.002 0.000 0.262 2140 Q C 0.622 176.694 176.000 0.120 0.000 0.997 2140 Q CA -0.703 55.190 55.803 0.151 0.000 0.873 2140 Q CB 2.418 31.227 28.738 0.119 0.000 1.312 2140 Q HN 0.789 nan 8.270 nan 0.000 0.450 2141 E N 0.718 120.967 120.200 0.082 0.000 2.364 2141 E HA 0.043 4.392 4.350 -0.002 0.000 0.196 2141 E C -0.190 176.463 176.600 0.087 0.000 0.990 2141 E CA 0.361 56.818 56.400 0.094 0.000 0.886 2141 E CB 0.348 30.146 29.700 0.164 0.000 0.866 2141 E HN 0.391 nan 8.360 nan 0.000 0.493 2142 K N 0.741 121.145 120.400 0.006 0.000 2.435 2142 K HA 0.424 4.743 4.320 -0.002 0.000 0.251 2142 K C -0.725 175.898 176.600 0.039 0.000 0.954 2142 K CA -0.863 55.452 56.287 0.047 0.000 0.820 2142 K CB 1.864 34.364 32.500 -0.000 0.000 1.292 2142 K HN -0.114 nan 8.250 nan 0.000 0.436 2143 I N 1.864 122.471 120.570 0.061 0.000 2.752 2143 I HA 0.174 4.343 4.170 -0.002 0.000 0.287 2143 I C 0.577 176.706 176.117 0.019 0.000 1.188 2143 I CA 1.619 62.938 61.300 0.033 0.000 1.427 2143 I CB 0.356 38.378 38.000 0.036 0.000 1.365 2143 I HN 0.987 nan 8.210 nan 0.000 0.585 2144 G N 4.611 113.413 108.800 0.003 0.000 2.895 2144 G HA2 0.035 3.994 3.960 -0.002 0.000 0.686 2144 G HA3 0.035 3.994 3.960 -0.002 0.000 0.686 2144 G C -1.307 173.568 174.900 -0.042 0.000 1.108 2144 G CA -0.331 44.764 45.100 -0.010 0.000 0.761 2144 G HN 0.990 nan 8.290 nan 0.000 0.611 2145 D N -2.014 118.342 120.400 -0.074 0.000 2.779 2145 D HA 0.550 5.189 4.640 -0.002 0.000 0.331 2145 D C 0.794 176.953 176.300 -0.235 0.000 1.331 2145 D CA 0.093 53.966 54.000 -0.212 0.000 0.866 2145 D CB 0.742 41.377 40.800 -0.274 0.000 1.409 2145 D HN 1.417 nan 8.370 nan 0.000 0.486 2146 V N -2.223 117.417 119.914 -0.456 0.000 3.514 2146 V HA 0.344 4.463 4.120 -0.002 0.000 0.301 2146 V C 0.133 176.122 176.094 -0.174 0.000 1.346 2146 V CA 0.071 62.202 62.300 -0.283 0.000 1.156 2146 V CB -1.155 30.530 31.823 -0.230 0.000 1.029 2146 V HN 0.408 nan 8.190 nan 0.000 0.428 2147 F N 0.495 120.481 119.950 0.061 0.000 2.692 2147 F HA 0.371 4.897 4.527 -0.002 0.000 0.303 2147 F C 1.565 177.432 175.800 0.111 0.000 1.114 2147 F CA -0.840 57.210 58.000 0.084 0.000 1.361 2147 F CB -0.758 38.346 39.000 0.172 0.000 1.063 2147 F HN 0.177 nan 8.300 nan 0.000 0.550 2148 D N 1.584 122.087 120.400 0.171 0.000 2.117 2148 D HA -0.108 4.531 4.640 -0.002 0.000 0.197 2148 D C -0.139 176.209 176.300 0.080 0.000 0.987 2148 D CA 1.438 55.501 54.000 0.105 0.000 0.829 2148 D CB -1.200 39.629 40.800 0.049 0.000 0.961 2148 D HN 0.155 nan 8.370 nan 0.000 0.460 2149 P HA -0.081 nan 4.420 nan 0.000 0.217 2149 P C 1.880 179.198 177.300 0.029 0.000 1.151 2149 P CA 0.608 63.734 63.100 0.045 0.000 0.828 2149 P CB 0.145 31.870 31.700 0.042 0.000 0.788 2150 V N 1.917 121.862 119.914 0.051 0.000 2.343 2150 V HA -0.234 3.884 4.120 -0.002 0.000 0.247 2150 V C 2.912 178.993 176.094 -0.022 0.000 1.051 2150 V CA 2.342 64.633 62.300 -0.016 0.000 1.036 2150 V CB -0.878 30.888 31.823 -0.096 0.000 0.654 2150 V HN 0.121 nan 8.190 nan 0.000 0.451 2151 R N -0.556 120.012 120.500 0.114 0.000 2.148 2151 R HA -0.062 4.277 4.340 -0.002 0.000 0.227 2151 R C 1.947 178.153 176.300 -0.158 0.000 1.103 2151 R CA 1.557 57.706 56.100 0.082 0.000 0.983 2151 R CB -0.536 29.855 30.300 0.151 0.000 0.874 2151 R HN 0.432 nan 8.270 nan 0.000 0.451 2152 E N 1.249 121.374 120.200 -0.126 0.000 2.158 2152 E HA -0.048 4.301 4.350 -0.002 0.000 0.191 2152 E C 1.902 178.376 176.600 -0.210 0.000 0.982 2152 E CA 0.703 56.971 56.400 -0.220 0.000 0.823 2152 E CB 0.075 29.715 29.700 -0.100 0.000 0.766 2152 E HN 0.436 nan 8.360 nan 0.000 0.468 2153 R N 0.061 120.486 120.500 -0.125 0.000 2.236 2153 R HA 0.105 4.444 4.340 -0.002 0.000 0.208 2153 R C 2.262 178.462 176.300 -0.166 0.000 1.036 2153 R CA 0.321 56.369 56.100 -0.086 0.000 1.001 2153 R CB 0.075 30.354 30.300 -0.036 0.000 0.896 2153 R HN 0.168 nan 8.270 nan 0.000 0.464 2154 I N -0.098 120.287 120.570 -0.308 0.000 2.400 2154 I HA -0.162 4.007 4.170 -0.002 0.000 0.248 2154 I C 2.616 178.386 176.117 -0.579 0.000 1.109 2154 I CA 0.766 61.756 61.300 -0.517 0.000 1.425 2154 I CB -0.202 37.345 38.000 -0.754 0.000 1.094 2154 I HN 0.048 nan 8.210 nan 0.000 0.425 2155 R N 0.768 120.903 120.500 -0.607 0.000 2.097 2155 R HA -0.193 4.146 4.340 -0.002 0.000 0.236 2155 R C 0.859 177.147 176.300 -0.021 0.000 1.135 2155 R CA 1.842 57.678 56.100 -0.441 0.000 0.934 2155 R CB -0.111 29.845 30.300 -0.574 0.000 0.846 2155 R HN 0.255 nan 8.270 nan 0.000 0.431 2156 Y N 0.802 121.142 120.300 0.067 0.000 2.811 2156 Y HA 0.198 4.747 4.550 -0.002 0.000 0.330 2156 Y C -0.130 175.805 175.900 0.058 0.000 1.081 2156 Y CA -1.340 56.811 58.100 0.085 0.000 1.408 2156 Y CB -0.946 37.549 38.460 0.058 0.000 1.235 2156 Y HN 0.148 nan 8.280 nan 0.000 0.529 2157 N N 2.172 120.965 118.700 0.155 0.000 2.770 2157 N HA -0.291 4.448 4.740 -0.002 0.000 0.283 2157 N C -0.175 175.382 175.510 0.079 0.000 1.009 2157 N CA 0.433 53.536 53.050 0.087 0.000 0.828 2157 N CB -0.303 38.255 38.487 0.118 0.000 0.939 2157 N HN 0.467 nan 8.380 nan 0.000 0.580 2158 R N 1.041 121.576 120.500 0.057 0.000 2.407 2158 R HA 0.557 4.896 4.340 -0.002 0.000 0.303 2158 R C 1.091 177.416 176.300 0.041 0.000 0.981 2158 R CA 0.214 56.350 56.100 0.061 0.000 0.905 2158 R CB 0.636 30.981 30.300 0.074 0.000 1.099 2158 R HN 0.534 nan 8.270 nan 0.000 0.459 2159 G N 3.000 111.829 108.800 0.048 0.000 2.601 2159 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.252 2159 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.252 2159 G C 0.161 175.081 174.900 0.034 0.000 1.294 2159 G CA -0.013 45.119 45.100 0.052 0.000 0.912 2159 G HN 0.652 nan 8.290 nan 0.000 0.574 2160 I N 1.336 121.929 120.570 0.038 0.000 3.712 2160 I HA 0.293 4.462 4.170 -0.002 0.000 0.342 2160 I C 1.638 177.679 176.117 -0.127 0.000 1.487 2160 I CA -0.096 61.180 61.300 -0.041 0.000 1.179 2160 I CB -0.402 37.565 38.000 -0.056 0.000 1.403 2160 I HN 0.402 nan 8.210 nan 0.000 0.444 2161 I N 0.168 120.727 120.570 -0.019 0.000 2.385 2161 I HA -0.032 4.137 4.170 -0.002 0.000 0.244 2161 I C 2.594 178.735 176.117 0.040 0.000 1.089 2161 I CA 0.520 61.842 61.300 0.036 0.000 1.410 2161 I CB -0.278 37.721 38.000 -0.002 0.000 1.117 2161 I HN 0.240 nan 8.210 nan 0.000 0.429 2162 R N 1.287 121.798 120.500 0.019 0.000 2.081 2162 R HA -0.170 4.169 4.340 -0.002 0.000 0.235 2162 R C 2.245 178.629 176.300 0.140 0.000 1.131 2162 R CA 1.189 57.394 56.100 0.176 0.000 0.960 2162 R CB -0.500 29.867 30.300 0.112 0.000 0.856 2162 R HN 0.329 nan 8.270 nan 0.000 0.436 2163 K N 0.773 121.185 120.400 0.021 0.000 2.113 2163 K HA -0.118 4.201 4.320 -0.002 0.000 0.208 2163 K C 0.673 177.225 176.600 -0.079 0.000 1.047 2163 K CA 1.304 57.574 56.287 -0.029 0.000 0.928 2163 K CB 0.194 32.658 32.500 -0.060 0.000 0.716 2163 K HN -0.072 nan 8.250 nan 0.000 0.446 2164 K N 0.429 120.725 120.400 -0.174 0.000 2.177 2164 K HA 0.215 4.534 4.320 -0.002 0.000 0.238 2164 K C 0.479 177.014 176.600 -0.109 0.000 1.015 2164 K CA -0.537 55.600 56.287 -0.250 0.000 0.922 2164 K CB 0.998 33.097 32.500 -0.669 0.000 1.127 2164 K HN 0.042 nan 8.250 nan 0.000 0.469 2165 R N -0.553 119.892 120.500 -0.092 0.000 2.811 2165 R HA 0.133 4.472 4.340 -0.002 0.000 0.237 2165 R C 1.329 177.613 176.300 -0.026 0.000 1.231 2165 R CA 0.500 56.565 56.100 -0.058 0.000 1.070 2165 R CB 0.001 30.269 30.300 -0.054 0.000 1.126 2165 R HN 0.730 nan 8.270 nan 0.000 0.540 2166 A N 0.579 123.363 122.820 -0.060 0.000 2.044 2166 A HA -0.093 4.226 4.320 -0.002 0.000 0.213 2166 A C 1.475 179.016 177.584 -0.071 0.000 1.169 2166 A CA 1.138 53.134 52.037 -0.069 0.000 0.724 2166 A CB -0.194 18.759 19.000 -0.078 0.000 0.840 2166 A HN 0.818 nan 8.150 nan 0.000 0.463 2167 D N -1.307 119.036 120.400 -0.095 0.000 2.224 2167 D HA -0.208 4.430 4.640 -0.002 0.000 0.205 2167 D C 1.608 177.733 176.300 -0.292 0.000 0.965 2167 D CA 1.117 54.995 54.000 -0.202 0.000 0.852 2167 D CB -0.696 39.971 40.800 -0.221 0.000 0.947 2167 D HN 0.534 nan 8.370 nan 0.000 0.494 2168 Y N 0.903 121.033 120.300 -0.283 0.000 2.293 2168 Y HA -0.099 4.450 4.550 -0.002 0.000 0.291 2168 Y C 2.224 177.979 175.900 -0.241 0.000 1.137 2168 Y CA 1.124 59.052 58.100 -0.286 0.000 1.202 2168 Y CB -0.249 38.084 38.460 -0.212 0.000 0.990 2168 Y HN 0.013 nan 8.280 nan 0.000 0.537 2169 L N 0.324 121.527 121.223 -0.033 0.000 2.043 2169 L HA -0.210 4.129 4.340 -0.002 0.000 0.212 2169 L C 2.219 178.906 176.870 -0.305 0.000 1.075 2169 L CA 1.964 56.733 54.840 -0.118 0.000 0.752 2169 L CB -1.170 40.883 42.059 -0.009 0.000 0.891 2169 L HN 0.444 nan 8.230 nan 0.000 0.432 2170 L N -0.632 120.429 121.223 -0.270 0.000 2.012 2170 L HA -0.236 4.103 4.340 -0.002 0.000 0.210 2170 L C 1.528 178.363 176.870 -0.058 0.000 1.073 2170 L CA 1.709 56.420 54.840 -0.215 0.000 0.748 2170 L CB -0.784 41.169 42.059 -0.176 0.000 0.891 2170 L HN 0.364 nan 8.230 nan 0.000 0.431 2171 Y N -0.649 119.443 120.300 -0.345 0.000 2.885 2171 Y HA 0.053 4.602 4.550 -0.002 0.000 0.380 2171 Y C 1.312 176.952 175.900 -0.434 0.000 1.064 2171 Y CA -0.283 57.644 58.100 -0.288 0.000 1.676 2171 Y CB -0.118 38.169 38.460 -0.289 0.000 1.633 2171 Y HN 0.275 nan 8.280 nan 0.000 0.473 2172 S N -1.406 114.154 115.700 -0.234 0.000 2.917 2172 S HA 0.069 4.538 4.470 -0.002 0.000 0.269 2172 S C 1.479 175.963 174.600 -0.193 0.000 1.072 2172 S CA -0.304 57.756 58.200 -0.233 0.000 0.967 2172 S CB 0.091 63.082 63.200 -0.349 0.000 0.906 2172 S HN 0.345 nan 8.310 nan 0.000 0.463 2173 L N 1.729 122.747 121.223 -0.343 0.000 2.056 2173 L HA 0.069 4.408 4.340 -0.002 0.000 0.207 2173 L C 2.033 178.814 176.870 -0.148 0.000 1.078 2173 L CA 1.308 55.871 54.840 -0.461 0.000 0.749 2173 L CB -0.528 41.012 42.059 -0.864 0.000 0.901 2173 L HN 0.275 nan 8.230 nan 0.000 0.433 2174 I N 0.053 120.565 120.570 -0.096 0.000 2.315 2174 I HA -0.280 3.888 4.170 -0.002 0.000 0.248 2174 I C 2.163 178.297 176.117 0.028 0.000 1.117 2174 I CA 1.330 62.625 61.300 -0.008 0.000 1.404 2174 I CB -0.235 37.755 38.000 -0.017 0.000 1.071 2174 I HN 0.298 nan 8.210 nan 0.000 0.419 2175 D N 1.055 121.483 120.400 0.046 0.000 2.097 2175 D HA -0.183 4.456 4.640 -0.002 0.000 0.195 2175 D C 2.205 178.525 176.300 0.034 0.000 0.989 2175 D CA 1.545 55.577 54.000 0.053 0.000 0.827 2175 D CB 0.090 40.953 40.800 0.105 0.000 0.966 2175 D HN 0.279 nan 8.370 nan 0.000 0.456 2176 A N 0.056 122.924 122.820 0.079 0.000 1.933 2176 A HA -0.099 4.220 4.320 -0.002 0.000 0.218 2176 A C 2.304 179.976 177.584 0.146 0.000 1.175 2176 A CA 1.271 53.386 52.037 0.130 0.000 0.628 2176 A CB -0.854 18.297 19.000 0.251 0.000 0.814 2176 A HN 0.435 nan 8.150 nan 0.000 0.444 2177 L N -0.766 120.593 121.223 0.227 0.000 2.095 2177 L HA -0.055 4.284 4.340 -0.002 0.000 0.204 2177 L C 2.366 179.263 176.870 0.044 0.000 1.080 2177 L CA 1.103 56.038 54.840 0.158 0.000 0.759 2177 L CB -0.143 42.069 42.059 0.256 0.000 0.914 2177 L HN 0.162 nan 8.230 nan 0.000 0.439 2178 V N 0.208 120.107 119.914 -0.024 0.000 2.343 2178 V HA -0.289 3.830 4.120 -0.002 0.000 0.247 2178 V C 2.084 178.200 176.094 0.036 0.000 1.051 2178 V CA 2.023 64.264 62.300 -0.098 0.000 1.036 2178 V CB -0.638 31.147 31.823 -0.065 0.000 0.654 2178 V HN 0.498 nan 8.190 nan 0.000 0.451 2179 D N -0.186 120.186 120.400 -0.046 0.000 2.182 2179 D HA -0.204 4.435 4.640 -0.002 0.000 0.201 2179 D C 1.881 178.229 176.300 0.080 0.000 0.986 2179 D CA 1.565 55.474 54.000 -0.151 0.000 0.847 2179 D CB -0.349 40.328 40.800 -0.205 0.000 0.942 2179 D HN 0.540 nan 8.370 nan 0.000 0.467 2180 D N -0.814 119.677 120.400 0.153 0.000 2.149 2180 D HA -0.211 4.428 4.640 -0.002 0.000 0.198 2180 D C 1.661 178.164 176.300 0.338 0.000 0.990 2180 D CA 0.915 55.041 54.000 0.209 0.000 0.839 2180 D CB -0.150 40.758 40.800 0.179 0.000 0.948 2180 D HN 0.173 nan 8.370 nan 0.000 0.460 2181 Y N -0.549 119.856 120.300 0.174 0.000 2.256 2181 Y HA -0.098 4.451 4.550 -0.002 0.000 0.288 2181 Y C 1.980 177.966 175.900 0.144 0.000 1.155 2181 Y CA 0.615 58.814 58.100 0.166 0.000 1.203 2181 Y CB -0.727 37.825 38.460 0.153 0.000 0.980 2181 Y HN 0.048 nan 8.280 nan 0.000 0.530 2182 F N -1.444 118.575 119.950 0.115 0.000 2.269 2182 F HA -0.187 4.338 4.527 -0.002 0.000 0.301 2182 F C 2.294 178.113 175.800 0.031 0.000 1.082 2182 F CA 0.825 58.843 58.000 0.030 0.000 1.360 2182 F CB -0.983 38.001 39.000 -0.027 0.000 1.041 2182 F HN -0.184 nan 8.300 nan 0.000 0.512 2183 V N -0.643 119.404 119.914 0.222 0.000 2.323 2183 V HA -0.250 3.869 4.120 -0.002 0.000 0.244 2183 V C 2.355 178.503 176.094 0.091 0.000 1.041 2183 V CA 1.305 63.685 62.300 0.135 0.000 1.025 2183 V CB -0.635 31.257 31.823 0.115 0.000 0.656 2183 V HN 0.179 nan 8.190 nan 0.000 0.451 2184 L N -0.604 120.655 121.223 0.060 0.000 2.012 2184 L HA -0.202 4.137 4.340 -0.002 0.000 0.210 2184 L C 2.279 179.127 176.870 -0.037 0.000 1.073 2184 L CA 1.923 56.752 54.840 -0.018 0.000 0.748 2184 L CB -0.518 41.465 42.059 -0.126 0.000 0.891 2184 L HN 0.249 nan 8.230 nan 0.000 0.431 2185 L N -1.244 119.960 121.223 -0.033 0.000 2.046 2185 L HA -0.234 4.104 4.340 -0.002 0.000 0.208 2185 L C 2.545 179.493 176.870 0.131 0.000 1.077 2185 L CA 1.294 56.139 54.840 0.009 0.000 0.747 2185 L CB -0.601 41.345 42.059 -0.189 0.000 0.896 2185 L HN 0.272 nan 8.230 nan 0.000 0.432 2186 E N 0.793 121.041 120.200 0.080 0.000 2.118 2186 E HA -0.225 4.124 4.350 -0.002 0.000 0.195 2186 E C 2.111 178.756 176.600 0.075 0.000 0.992 2186 E CA 1.459 57.911 56.400 0.087 0.000 0.804 2186 E CB 0.048 29.799 29.700 0.085 0.000 0.741 2186 E HN 0.256 nan 8.360 nan 0.000 0.458 2187 K N -0.429 120.015 120.400 0.074 0.000 2.211 2187 K HA -0.028 4.291 4.320 -0.002 0.000 0.203 2187 K C 2.007 178.634 176.600 0.045 0.000 1.050 2187 K CA 1.149 57.490 56.287 0.090 0.000 0.945 2187 K CB 0.014 32.611 32.500 0.161 0.000 0.732 2187 K HN 0.275 nan 8.250 nan 0.000 0.451 2188 I N 0.253 120.816 120.570 -0.011 0.000 2.703 2188 I HA -0.153 4.016 4.170 -0.002 0.000 0.259 2188 I C 2.013 178.000 176.117 -0.217 0.000 1.151 2188 I CA 0.633 61.873 61.300 -0.101 0.000 1.470 2188 I CB -0.088 37.865 38.000 -0.078 0.000 1.112 2188 I HN 0.083 nan 8.210 nan 0.000 0.437 2189 D N 1.587 121.908 120.400 -0.132 0.000 2.104 2189 D HA -0.253 4.386 4.640 -0.002 0.000 0.194 2189 D C 1.640 177.827 176.300 -0.188 0.000 0.994 2189 D CA 1.667 55.491 54.000 -0.294 0.000 0.830 2189 D CB 0.020 40.828 40.800 0.014 0.000 0.959 2189 D HN 0.130 nan 8.370 nan 0.000 0.452 2190 D N -0.573 119.785 120.400 -0.071 0.000 2.310 2190 D HA -0.090 4.549 4.640 -0.002 0.000 0.212 2190 D C 1.740 178.018 176.300 -0.038 0.000 0.965 2190 D CA 0.526 54.503 54.000 -0.038 0.000 0.879 2190 D CB -0.092 40.714 40.800 0.009 0.000 0.921 2190 D HN 0.353 nan 8.370 nan 0.000 0.510 2191 E N 0.600 120.767 120.200 -0.054 0.000 2.014 2191 E HA -0.035 4.314 4.350 -0.002 0.000 0.190 2191 E C 2.111 178.641 176.600 -0.117 0.000 0.980 2191 E CA 0.531 56.907 56.400 -0.040 0.000 0.807 2191 E CB -0.277 29.413 29.700 -0.016 0.000 0.770 2191 E HN 0.145 nan 8.360 nan 0.000 0.451 2192 I N 1.398 121.840 120.570 -0.213 0.000 2.113 2192 I HA -0.370 3.799 4.170 -0.002 0.000 0.242 2192 I C 2.048 178.065 176.117 -0.166 0.000 1.064 2192 I CA 1.733 62.890 61.300 -0.238 0.000 1.320 2192 I CB -0.502 37.264 38.000 -0.390 0.000 1.028 2192 I HN 0.225 nan 8.210 nan 0.000 0.406 2193 D N 0.371 120.676 120.400 -0.158 0.000 2.200 2193 D HA -0.189 4.450 4.640 -0.002 0.000 0.192 2193 D C 2.213 178.474 176.300 -0.065 0.000 1.008 2193 D CA 1.614 55.554 54.000 -0.100 0.000 0.872 2193 D CB -0.148 40.605 40.800 -0.079 0.000 0.923 2193 D HN 0.202 nan 8.370 nan 0.000 0.447 2194 V N 0.309 120.191 119.914 -0.054 0.000 2.331 2194 V HA -0.137 3.982 4.120 -0.002 0.000 0.242 2194 V C 1.822 177.895 176.094 -0.035 0.000 1.034 2194 V CA 0.638 62.922 62.300 -0.028 0.000 1.027 2194 V CB -0.114 31.708 31.823 -0.003 0.000 0.667 2194 V HN 0.112 nan 8.190 nan 0.000 0.457 2195 L N 0.525 121.713 121.223 -0.059 0.000 2.762 2195 L HA 0.062 4.400 4.340 -0.002 0.000 0.250 2195 L C 1.774 178.603 176.870 -0.069 0.000 1.160 2195 L CA 1.285 56.081 54.840 -0.072 0.000 0.951 2195 L CB -1.141 40.840 42.059 -0.129 0.000 1.148 2195 L HN 0.451 nan 8.230 nan 0.000 0.424 2196 E N -1.183 118.983 120.200 -0.057 0.000 2.354 2196 E HA -0.024 4.325 4.350 -0.002 0.000 0.203 2196 E C 1.467 178.055 176.600 -0.020 0.000 0.841 2196 E CA -0.065 56.307 56.400 -0.045 0.000 1.046 2196 E CB 0.407 30.067 29.700 -0.066 0.000 1.040 2196 E HN 0.358 nan 8.360 nan 0.000 0.504 2197 E N 1.067 121.254 120.200 -0.020 0.000 2.097 2197 E HA -0.235 4.114 4.350 -0.002 0.000 0.196 2197 E C 1.569 178.173 176.600 0.007 0.000 1.000 2197 E CA 1.132 57.527 56.400 -0.008 0.000 0.804 2197 E CB -0.067 29.628 29.700 -0.009 0.000 0.740 2197 E HN 0.225 nan 8.360 nan 0.000 0.454 2198 E N 0.059 120.264 120.200 0.009 0.000 2.510 2198 E HA -0.097 4.252 4.350 -0.002 0.000 0.202 2198 E C 1.377 178.018 176.600 0.068 0.000 1.072 2198 E CA 0.249 56.666 56.400 0.028 0.000 0.883 2198 E CB 0.267 29.975 29.700 0.012 0.000 0.818 2198 E HN 0.002 nan 8.360 nan 0.000 0.548 2199 V N -0.917 119.039 119.914 0.069 0.000 3.359 2199 V HA -0.022 4.097 4.120 -0.002 0.000 0.245 2199 V C 1.412 177.547 176.094 0.070 0.000 1.247 2199 V CA 0.114 62.496 62.300 0.137 0.000 1.145 2199 V CB 0.167 32.068 31.823 0.131 0.000 0.906 2199 V HN 0.203 nan 8.190 nan 0.000 0.464 2200 L N 0.347 121.586 121.223 0.028 0.000 2.068 2200 L HA 0.110 4.449 4.340 -0.002 0.000 0.204 2200 L C 1.422 178.288 176.870 -0.007 0.000 1.076 2200 L CA 1.759 56.599 54.840 0.001 0.000 0.753 2200 L CB -0.730 41.325 42.059 -0.006 0.000 0.910 2200 L HN 0.386 nan 8.230 nan 0.000 0.439 2201 E N -0.934 119.267 120.200 0.002 0.000 4.052 2201 E HA 0.268 4.617 4.350 -0.002 0.000 0.219 2201 E C -0.154 176.449 176.600 0.006 0.000 1.166 2201 E CA 0.017 56.416 56.400 -0.003 0.000 1.338 2201 E CB 0.322 30.019 29.700 -0.006 0.000 1.212 2201 E HN 0.067 nan 8.360 nan 0.000 0.432 2202 R N 0.231 120.740 120.500 0.016 0.000 2.557 2202 R HA 0.091 4.430 4.340 -0.002 0.000 0.114 2202 R C -2.742 173.592 176.300 0.056 0.000 0.607 2202 R CA -0.487 55.630 56.100 0.029 0.000 0.814 2202 R CB -0.024 30.296 30.300 0.032 0.000 1.003 2202 R HN 0.052 nan 8.270 nan 0.000 0.619 2203 P HA -0.069 nan 4.420 nan 0.000 0.240 2203 P C -0.439 176.916 177.300 0.091 0.000 1.594 2203 P CA 0.555 63.684 63.100 0.050 0.000 1.184 2203 P CB -0.082 31.548 31.700 -0.116 0.000 1.915 2204 E N 0.654 120.938 120.200 0.141 0.000 3.769 2204 E HA 0.298 4.646 4.350 -0.002 0.000 0.318 2204 E C 1.058 177.732 176.600 0.123 0.000 0.894 2204 E CA -0.732 55.727 56.400 0.098 0.000 1.973 2204 E CB 0.401 30.137 29.700 0.060 0.000 1.858 2204 E HN -0.193 nan 8.360 nan 0.000 0.628 2205 K N 0.362 120.803 120.400 0.068 0.000 2.139 2205 K HA -0.054 4.265 4.320 -0.002 0.000 0.217 2205 K C 1.732 178.338 176.600 0.009 0.000 1.025 2205 K CA 1.362 57.677 56.287 0.047 0.000 0.947 2205 K CB -0.367 32.149 32.500 0.027 0.000 0.897 2205 K HN 0.677 nan 8.250 nan 0.000 0.457 2206 E N 0.611 120.812 120.200 0.001 0.000 2.405 2206 E HA -0.023 4.326 4.350 -0.002 0.000 0.194 2206 E C 0.832 177.411 176.600 -0.034 0.000 1.149 2206 E CA 0.397 56.787 56.400 -0.016 0.000 0.933 2206 E CB -0.095 29.606 29.700 0.002 0.000 1.028 2206 E HN 0.090 nan 8.360 nan 0.000 0.487 2207 T N 0.119 114.642 114.554 -0.052 0.000 2.821 2207 T HA -0.089 4.260 4.350 -0.002 0.000 0.267 2207 T C 1.749 176.324 174.700 -0.209 0.000 1.046 2207 T CA 0.969 63.013 62.100 -0.092 0.000 1.139 2207 T CB 0.021 68.869 68.868 -0.033 0.000 0.871 2207 T HN 0.141 nan 8.240 nan 0.000 0.454 2208 V N 2.177 121.904 119.914 -0.312 0.000 2.261 2208 V HA -0.230 3.889 4.120 -0.002 0.000 0.246 2208 V C 2.628 178.627 176.094 -0.157 0.000 1.047 2208 V CA 2.276 64.365 62.300 -0.352 0.000 1.015 2208 V CB -0.770 30.823 31.823 -0.384 0.000 0.642 2208 V HN 0.658 nan 8.190 nan 0.000 0.446 2209 Q N 0.352 120.095 119.800 -0.094 0.000 2.291 2209 Q HA -0.216 4.123 4.340 -0.002 0.000 0.205 2209 Q C 2.189 178.189 176.000 -0.000 0.000 0.970 2209 Q CA 1.831 57.621 55.803 -0.021 0.000 0.876 2209 Q CB -0.373 28.358 28.738 -0.011 0.000 0.935 2209 Q HN 0.540 nan 8.270 nan 0.000 0.455 2210 R N -0.278 120.199 120.500 -0.039 0.000 2.119 2210 R HA -0.008 4.331 4.340 -0.002 0.000 0.222 2210 R C 1.659 177.890 176.300 -0.115 0.000 1.088 2210 R CA 1.548 57.612 56.100 -0.061 0.000 0.984 2210 R CB 0.017 30.280 30.300 -0.062 0.000 0.884 2210 R HN 0.298 nan 8.270 nan 0.000 0.447 2211 T N -0.756 113.735 114.554 -0.104 0.000 2.812 2211 T HA -0.136 4.213 4.350 -0.002 0.000 0.264 2211 T C 1.341 176.006 174.700 -0.057 0.000 1.042 2211 T CA 1.500 63.538 62.100 -0.104 0.000 1.140 2211 T CB -0.259 68.536 68.868 -0.122 0.000 0.870 2211 T HN 0.402 nan 8.240 nan 0.000 0.445 2212 H N 0.983 119.987 119.070 -0.110 0.000 2.423 2212 H HA 0.054 4.608 4.556 -0.002 0.000 0.297 2212 H C 2.416 177.704 175.328 -0.067 0.000 1.075 2212 H CA 1.252 57.250 56.048 -0.083 0.000 1.342 2212 H CB -0.019 29.699 29.762 -0.074 0.000 1.395 2212 H HN 0.123 nan 8.280 nan 0.000 0.530 2213 Q N -0.179 119.573 119.800 -0.080 0.000 2.135 2213 Q HA -0.130 4.209 4.340 -0.002 0.000 0.204 2213 Q C 2.359 178.277 176.000 -0.137 0.000 0.981 2213 Q CA 1.102 56.846 55.803 -0.098 0.000 0.856 2213 Q CB -0.430 28.302 28.738 -0.011 0.000 0.902 2213 Q HN 0.422 nan 8.270 nan 0.000 0.425 2214 L N 1.248 122.381 121.223 -0.150 0.000 2.027 2214 L HA -0.169 4.170 4.340 -0.002 0.000 0.206 2214 L C 2.419 179.189 176.870 -0.166 0.000 1.074 2214 L CA 1.925 56.671 54.840 -0.157 0.000 0.745 2214 L CB -0.558 41.400 42.059 -0.168 0.000 0.898 2214 L HN 0.104 nan 8.230 nan 0.000 0.433 2215 K N -0.717 119.574 120.400 -0.183 0.000 2.032 2215 K HA -0.285 4.034 4.320 -0.002 0.000 0.209 2215 K C 2.351 178.822 176.600 -0.215 0.000 1.048 2215 K CA 1.638 57.816 56.287 -0.182 0.000 0.927 2215 K CB -0.179 32.221 32.500 -0.167 0.000 0.712 2215 K HN 0.137 nan 8.250 nan 0.000 0.441 2216 R N 1.238 121.554 120.500 -0.307 0.000 2.094 2216 R HA -0.143 4.196 4.340 -0.002 0.000 0.239 2216 R C 1.531 177.732 176.300 -0.165 0.000 1.137 2216 R CA 2.597 58.545 56.100 -0.254 0.000 0.943 2216 R CB -0.858 29.269 30.300 -0.289 0.000 0.850 2216 R HN 0.458 nan 8.270 nan 0.000 0.433 2217 N N -0.658 117.951 118.700 -0.152 0.000 2.188 2217 N HA -0.116 4.623 4.740 -0.002 0.000 0.184 2217 N C 1.310 176.705 175.510 -0.191 0.000 1.018 2217 N CA 0.978 53.939 53.050 -0.149 0.000 0.858 2217 N CB -0.094 38.323 38.487 -0.116 0.000 0.989 2217 N HN 0.068 nan 8.380 nan 0.000 0.426 2218 L N 0.477 121.599 121.223 -0.168 0.000 2.109 2218 L HA -0.058 4.281 4.340 -0.002 0.000 0.207 2218 L C 2.078 178.865 176.870 -0.138 0.000 1.086 2218 L CA 1.041 55.792 54.840 -0.147 0.000 0.760 2218 L CB -0.526 41.473 42.059 -0.100 0.000 0.910 2218 L HN 0.020 nan 8.230 nan 0.000 0.437 2219 V N -0.731 119.103 119.914 -0.133 0.000 2.295 2219 V HA -0.268 3.851 4.120 -0.002 0.000 0.246 2219 V C 2.594 178.628 176.094 -0.100 0.000 1.049 2219 V CA 1.638 63.867 62.300 -0.120 0.000 1.024 2219 V CB -0.481 31.275 31.823 -0.111 0.000 0.648 2219 V HN 0.469 nan 8.190 nan 0.000 0.447 2220 E N -0.309 119.828 120.200 -0.105 0.000 2.118 2220 E HA -0.249 4.100 4.350 -0.002 0.000 0.195 2220 E C 2.116 178.651 176.600 -0.108 0.000 0.992 2220 E CA 1.491 57.840 56.400 -0.085 0.000 0.804 2220 E CB -0.112 29.525 29.700 -0.105 0.000 0.741 2220 E HN 0.427 nan 8.360 nan 0.000 0.458 2221 L N 1.142 122.248 121.223 -0.195 0.000 1.982 2221 L HA -0.121 4.217 4.340 -0.002 0.000 0.206 2221 L C 2.738 179.593 176.870 -0.026 0.000 1.078 2221 L CA 1.860 56.569 54.840 -0.218 0.000 0.749 2221 L CB -0.713 41.173 42.059 -0.288 0.000 0.894 2221 L HN -0.009 nan 8.230 nan 0.000 0.436 2222 R N -0.035 120.432 120.500 -0.056 0.000 2.159 2222 R HA -0.282 4.057 4.340 -0.002 0.000 0.249 2222 R C 1.329 177.649 176.300 0.034 0.000 1.136 2222 R CA 2.228 58.305 56.100 -0.038 0.000 0.951 2222 R CB -0.302 29.900 30.300 -0.162 0.000 0.876 2222 R HN 0.133 nan 8.270 nan 0.000 0.440 2223 K N -0.219 120.191 120.400 0.016 0.000 2.836 2223 K HA 0.037 4.356 4.320 -0.002 0.000 0.236 2223 K C 0.013 176.707 176.600 0.157 0.000 1.015 2223 K CA 0.668 56.998 56.287 0.071 0.000 1.194 2223 K CB 0.398 32.914 32.500 0.026 0.000 1.002 2223 K HN 0.223 nan 8.250 nan 0.000 0.479 2224 T N -1.649 113.041 114.554 0.227 0.000 3.131 2224 T HA 0.221 4.570 4.350 -0.002 0.000 0.283 2224 T C 0.880 175.787 174.700 0.345 0.000 0.906 2224 T CA -0.135 62.147 62.100 0.303 0.000 0.882 2224 T CB 0.198 69.334 68.868 0.445 0.000 1.208 2224 T HN -0.002 nan 8.240 nan 0.000 0.561 2225 I N -0.683 120.091 120.570 0.340 0.000 2.685 2225 I HA 0.187 4.356 4.170 -0.002 0.000 0.251 2225 I C 1.849 178.124 176.117 0.262 0.000 1.102 2225 I CA 0.534 62.020 61.300 0.310 0.000 1.442 2225 I CB -0.193 37.995 38.000 0.313 0.000 1.194 2225 I HN 0.198 nan 8.210 nan 0.000 0.448 2226 W N 2.437 123.766 121.300 0.048 0.000 2.308 2226 W HA -0.173 4.486 4.660 -0.002 0.000 0.301 2226 W C -0.350 176.186 176.519 0.029 0.000 1.220 2226 W CA 1.736 59.096 57.345 0.025 0.000 1.240 2226 W CB -1.903 27.567 29.460 0.016 0.000 1.142 2226 W HN 0.200 nan 8.180 nan 0.000 0.521 2227 P HA -0.127 nan 4.420 nan 0.000 0.217 2227 P C 1.918 179.250 177.300 0.053 0.000 1.154 2227 P CA 1.319 64.487 63.100 0.114 0.000 0.841 2227 P CB -0.421 31.346 31.700 0.112 0.000 0.788 2228 L N -0.290 120.969 121.223 0.060 0.000 2.191 2228 L HA -0.087 4.252 4.340 -0.002 0.000 0.212 2228 L C 2.807 179.670 176.870 -0.011 0.000 1.103 2228 L CA 1.399 56.240 54.840 0.002 0.000 0.769 2228 L CB -0.405 41.637 42.059 -0.028 0.000 0.908 2228 L HN -0.202 nan 8.230 nan 0.000 0.438 2229 R N -0.300 120.193 120.500 -0.010 0.000 2.090 2229 R HA -0.205 4.134 4.340 -0.002 0.000 0.228 2229 R C 2.059 178.369 176.300 0.016 0.000 1.110 2229 R CA 1.591 57.668 56.100 -0.039 0.000 0.973 2229 R CB -0.073 30.132 30.300 -0.158 0.000 0.869 2229 R HN 0.363 nan 8.270 nan 0.000 0.440 2230 E N 0.047 120.239 120.200 -0.013 0.000 2.208 2230 E HA -0.071 4.278 4.350 -0.002 0.000 0.193 2230 E C 1.842 178.450 176.600 0.013 0.000 0.988 2230 E CA 0.662 57.061 56.400 -0.002 0.000 0.828 2230 E CB 0.017 29.707 29.700 -0.016 0.000 0.763 2230 E HN 0.110 nan 8.360 nan 0.000 0.478 2231 V N 0.256 120.171 119.914 0.002 0.000 2.255 2231 V HA -0.258 3.861 4.120 -0.002 0.000 0.247 2231 V C 2.038 178.159 176.094 0.044 0.000 1.051 2231 V CA 1.616 63.906 62.300 -0.018 0.000 1.018 2231 V CB -0.401 31.393 31.823 -0.049 0.000 0.641 2231 V HN 0.265 nan 8.190 nan 0.000 0.445 2232 L N -0.432 120.853 121.223 0.102 0.000 2.478 2232 L HA 0.007 4.346 4.340 -0.002 0.000 0.223 2232 L C 2.454 179.380 176.870 0.093 0.000 1.140 2232 L CA 1.458 56.425 54.840 0.210 0.000 0.842 2232 L CB -0.585 41.623 42.059 0.248 0.000 0.953 2232 L HN 0.261 nan 8.230 nan 0.000 0.452 2233 S N -1.816 113.890 115.700 0.009 0.000 2.377 2233 S HA -0.103 4.366 4.470 -0.002 0.000 0.223 2233 S C 2.213 176.771 174.600 -0.070 0.000 1.030 2233 S CA 1.358 59.387 58.200 -0.285 0.000 0.970 2233 S CB -0.003 63.186 63.200 -0.018 0.000 0.830 2233 S HN 0.381 nan 8.310 nan 0.000 0.473 2234 S N 0.514 116.243 115.700 0.049 0.000 2.489 2234 S HA 0.164 4.633 4.470 -0.002 0.000 0.228 2234 S C 1.276 176.052 174.600 0.294 0.000 0.995 2234 S CA 0.190 58.471 58.200 0.134 0.000 0.934 2234 S CB -0.189 63.060 63.200 0.082 0.000 0.771 2234 S HN 0.382 nan 8.310 nan 0.000 0.522 2235 L N 0.440 121.833 121.223 0.284 0.000 2.599 2235 L HA 0.308 4.647 4.340 -0.002 0.000 0.230 2235 L C 1.000 178.152 176.870 0.470 0.000 1.141 2235 L CA 0.877 55.943 54.840 0.376 0.000 0.877 2235 L CB -0.447 41.733 42.059 0.202 0.000 1.009 2235 L HN 0.430 nan 8.230 nan 0.000 0.447 2236 Y N -0.533 119.968 120.300 0.334 0.000 2.607 2236 Y HA 0.050 4.599 4.550 -0.002 0.000 0.276 2236 Y C 2.403 178.372 175.900 0.114 0.000 1.117 2236 Y CA 0.662 58.988 58.100 0.377 0.000 1.273 2236 Y CB 0.096 38.422 38.460 -0.223 0.000 1.282 2236 Y HN 0.171 nan 8.280 nan 0.000 0.514 2237 R N -0.331 120.238 120.500 0.115 0.000 2.115 2237 R HA -0.030 4.309 4.340 -0.002 0.000 0.230 2237 R C 0.736 176.989 176.300 -0.079 0.000 1.111 2237 R CA 1.852 57.954 56.100 0.004 0.000 0.976 2237 R CB -0.321 30.001 30.300 0.038 0.000 0.870 2237 R HN 0.269 nan 8.270 nan 0.000 0.445 2238 D N -0.332 120.009 120.400 -0.099 0.000 3.059 2238 D HA 0.196 4.834 4.640 -0.002 0.000 0.231 2238 D C -0.723 175.391 176.300 -0.311 0.000 1.331 2238 D CA 1.125 54.975 54.000 -0.250 0.000 1.288 2238 D CB 0.990 41.540 40.800 -0.417 0.000 0.922 2238 D HN -0.074 nan 8.370 nan 0.000 0.197 2239 V N 0.693 120.275 119.914 -0.552 0.000 3.497 2239 V HA -0.144 3.975 4.120 -0.002 0.000 0.484 2239 V C -1.986 173.921 176.094 -0.311 0.000 0.682 2239 V CA -0.009 62.042 62.300 -0.415 0.000 2.014 2239 V CB -1.015 30.699 31.823 -0.182 0.000 2.451 2239 V HN 0.374 nan 8.190 nan 0.000 0.502 2240 P HA 0.108 nan 4.420 nan 0.000 0.206 2240 P C -1.807 175.425 177.300 -0.113 0.000 1.212 2240 P CA 1.014 64.010 63.100 -0.172 0.000 0.919 2240 P CB -0.612 31.005 31.700 -0.137 0.000 0.755 2241 P HA 0.088 nan 4.420 nan 0.000 0.274 2241 P C -0.327 176.899 177.300 -0.122 0.000 1.291 2241 P CA 0.397 63.450 63.100 -0.079 0.000 0.815 2241 P CB -0.079 31.591 31.700 -0.049 0.000 0.897 2242 L N 1.457 122.613 121.223 -0.111 0.000 2.953 2242 L HA 0.391 4.730 4.340 -0.002 0.000 0.258 2242 L C 0.534 177.361 176.870 -0.071 0.000 1.100 2242 L CA 0.064 54.833 54.840 -0.118 0.000 0.971 2242 L CB -1.361 40.644 42.059 -0.091 0.000 1.474 2242 L HN 0.059 nan 8.230 nan 0.000 0.540 2243 I N 2.076 122.615 120.570 -0.052 0.000 6.400 2243 I HA -0.335 3.834 4.170 -0.002 0.000 0.126 2243 I C 1.627 177.746 176.117 0.002 0.000 1.494 2243 I CA 0.793 62.079 61.300 -0.024 0.000 2.484 2243 I CB -0.983 37.005 38.000 -0.020 0.000 2.837 2243 I HN 0.601 nan 8.210 nan 0.000 0.286 2244 E N 4.748 124.945 120.200 -0.006 0.000 2.194 2244 E HA -0.302 4.047 4.350 -0.002 0.000 0.246 2244 E C 1.198 177.825 176.600 0.044 0.000 0.974 2244 E CA 2.418 58.822 56.400 0.007 0.000 0.949 2244 E CB 0.017 29.710 29.700 -0.010 0.000 0.896 2244 E HN 0.625 nan 8.360 nan 0.000 0.550 2245 K N 0.425 120.848 120.400 0.038 0.000 2.836 2245 K HA -0.019 4.300 4.320 -0.002 0.000 0.236 2245 K C 0.772 177.419 176.600 0.079 0.000 1.015 2245 K CA 0.027 56.349 56.287 0.057 0.000 1.194 2245 K CB 0.254 32.777 32.500 0.037 0.000 1.002 2245 K HN 0.188 nan 8.250 nan 0.000 0.479 2246 E N -1.184 119.075 120.200 0.098 0.000 2.905 2246 E HA 0.037 4.386 4.350 -0.002 0.000 0.197 2246 E C 1.306 178.035 176.600 0.215 0.000 1.016 2246 E CA 0.901 57.371 56.400 0.117 0.000 1.307 2246 E CB 0.401 30.134 29.700 0.055 0.000 1.255 2246 E HN 0.058 nan 8.360 nan 0.000 0.527 2247 T N 1.118 115.795 114.554 0.204 0.000 3.040 2247 T HA 0.084 4.432 4.350 -0.002 0.000 0.252 2247 T C 2.042 177.040 174.700 0.498 0.000 1.064 2247 T CA 0.326 62.599 62.100 0.288 0.000 1.110 2247 T CB 0.333 69.234 68.868 0.055 0.000 0.921 2247 T HN -0.132 nan 8.240 nan 0.000 0.480 2248 V N 3.045 123.194 119.914 0.392 0.000 2.270 2248 V HA -0.062 4.057 4.120 -0.002 0.000 0.245 2248 V C -0.523 175.864 176.094 0.489 0.000 1.043 2248 V CA 1.604 64.228 62.300 0.540 0.000 1.014 2248 V CB -1.080 30.888 31.823 0.241 0.000 0.645 2248 V HN 0.352 nan 8.190 nan 0.000 0.447 2249 P HA -0.146 nan 4.420 nan 0.000 0.237 2249 P C 1.248 178.681 177.300 0.222 0.000 1.178 2249 P CA 1.125 64.350 63.100 0.208 0.000 0.766 2249 P CB -0.067 31.721 31.700 0.146 0.000 0.876 2250 Y N 1.765 122.213 120.300 0.248 0.000 2.130 2250 Y HA -0.164 4.384 4.550 -0.002 0.000 0.287 2250 Y C 2.204 178.208 175.900 0.173 0.000 1.124 2250 Y CA 1.643 59.879 58.100 0.227 0.000 1.118 2250 Y CB -0.958 37.688 38.460 0.311 0.000 0.994 2250 Y HN -0.107 nan 8.280 nan 0.000 0.497 2251 F N 0.455 120.542 119.950 0.228 0.000 2.780 2251 F HA 0.176 4.702 4.527 -0.002 0.000 0.299 2251 F C 2.180 177.949 175.800 -0.052 0.000 1.146 2251 F CA 0.590 58.546 58.000 -0.074 0.000 1.428 2251 F CB -0.579 38.165 39.000 -0.428 0.000 1.115 2251 F HN -0.079 nan 8.300 nan 0.000 0.583 2252 R N 1.240 121.369 120.500 -0.618 0.000 2.103 2252 R HA -0.267 4.072 4.340 -0.002 0.000 0.242 2252 R C 1.680 177.750 176.300 -0.383 0.000 1.142 2252 R CA 2.336 58.152 56.100 -0.474 0.000 0.960 2252 R CB -0.839 29.393 30.300 -0.113 0.000 0.858 2252 R HN 0.462 nan 8.270 nan 0.000 0.439 2253 D N -1.063 119.111 120.400 -0.376 0.000 2.310 2253 D HA -0.085 4.554 4.640 -0.002 0.000 0.212 2253 D C 1.332 177.221 176.300 -0.684 0.000 0.965 2253 D CA 0.820 54.522 54.000 -0.497 0.000 0.879 2253 D CB 0.416 40.934 40.800 -0.469 0.000 0.921 2253 D HN 0.165 nan 8.370 nan 0.000 0.510 2254 V N -0.451 119.202 119.914 -0.436 0.000 3.085 2254 V HA -0.028 4.091 4.120 -0.002 0.000 0.245 2254 V C 1.623 177.639 176.094 -0.130 0.000 1.114 2254 V CA 0.468 62.633 62.300 -0.226 0.000 1.108 2254 V CB -0.590 31.182 31.823 -0.084 0.000 0.798 2254 V HN 0.249 nan 8.190 nan 0.000 0.471 2255 Y N 1.567 121.674 120.300 -0.322 0.000 2.373 2255 Y HA -0.136 4.413 4.550 -0.002 0.000 0.293 2255 Y C 2.004 177.718 175.900 -0.309 0.000 1.129 2255 Y CA 1.474 59.388 58.100 -0.310 0.000 1.226 2255 Y CB -0.178 38.000 38.460 -0.470 0.000 1.000 2255 Y HN 0.270 nan 8.280 nan 0.000 0.549 2256 D N -0.600 119.506 120.400 -0.491 0.000 2.097 2256 D HA -0.164 4.475 4.640 -0.002 0.000 0.197 2256 D C 2.037 178.159 176.300 -0.295 0.000 0.984 2256 D CA 1.600 55.311 54.000 -0.482 0.000 0.826 2256 D CB -0.318 40.228 40.800 -0.423 0.000 0.973 2256 D HN 0.440 nan 8.370 nan 0.000 0.460 2257 H N -0.173 118.803 119.070 -0.156 0.000 2.321 2257 H HA -0.070 4.485 4.556 -0.002 0.000 0.300 2257 H C 2.210 177.531 175.328 -0.011 0.000 1.087 2257 H CA 1.466 57.520 56.048 0.010 0.000 1.319 2257 H CB -0.884 28.878 29.762 -0.000 0.000 1.379 2257 H HN 0.100 nan 8.280 nan 0.000 0.501 2258 T N 0.631 115.192 114.554 0.013 0.000 2.849 2258 T HA -0.095 4.253 4.350 -0.002 0.000 0.270 2258 T C 2.237 176.842 174.700 -0.158 0.000 1.066 2258 T CA 0.920 62.981 62.100 -0.065 0.000 1.130 2258 T CB -0.310 68.518 68.868 -0.067 0.000 0.864 2258 T HN 0.179 nan 8.240 nan 0.000 0.481 2259 I N 0.172 120.571 120.570 -0.285 0.000 2.193 2259 I HA -0.117 4.052 4.170 -0.002 0.000 0.240 2259 I C 2.790 178.798 176.117 -0.182 0.000 1.084 2259 I CA 1.188 62.305 61.300 -0.306 0.000 1.365 2259 I CB -0.408 37.328 38.000 -0.441 0.000 1.064 2259 I HN 0.253 nan 8.210 nan 0.000 0.410 2260 Q N 0.981 120.703 119.800 -0.132 0.000 2.181 2260 Q HA -0.224 4.114 4.340 -0.002 0.000 0.205 2260 Q C 2.280 178.161 176.000 -0.197 0.000 0.980 2260 Q CA 1.690 57.421 55.803 -0.121 0.000 0.862 2260 Q CB -0.043 28.675 28.738 -0.034 0.000 0.905 2260 Q HN 0.530 nan 8.270 nan 0.000 0.429 2261 I N 0.249 120.712 120.570 -0.178 0.000 2.090 2261 I HA -0.263 3.905 4.170 -0.002 0.000 0.236 2261 I C 2.156 178.195 176.117 -0.130 0.000 1.064 2261 I CA 1.211 62.391 61.300 -0.200 0.000 1.324 2261 I CB -0.438 37.538 38.000 -0.039 0.000 1.044 2261 I HN 0.144 nan 8.210 nan 0.000 0.399 2262 A N -0.571 122.227 122.820 -0.038 0.000 2.248 2262 A HA -0.178 4.140 4.320 -0.002 0.000 0.210 2262 A C 1.675 179.301 177.584 0.070 0.000 1.174 2262 A CA 1.470 53.555 52.037 0.080 0.000 0.750 2262 A CB -0.495 18.571 19.000 0.109 0.000 0.780 2262 A HN 0.407 nan 8.150 nan 0.000 0.478 2263 D N -1.764 118.603 120.400 -0.056 0.000 2.431 2263 D HA 0.007 4.646 4.640 -0.002 0.000 0.235 2263 D C 1.941 178.167 176.300 -0.123 0.000 0.980 2263 D CA 1.338 55.303 54.000 -0.057 0.000 0.912 2263 D CB 0.090 40.840 40.800 -0.085 0.000 1.056 2263 D HN 0.253 nan 8.370 nan 0.000 0.494 2264 T N 0.175 114.588 114.554 -0.234 0.000 2.708 2264 T HA -0.083 4.266 4.350 -0.002 0.000 0.266 2264 T C 2.087 176.419 174.700 -0.613 0.000 1.037 2264 T CA 0.945 62.795 62.100 -0.417 0.000 1.146 2264 T CB -0.175 68.371 68.868 -0.537 0.000 0.865 2264 T HN -0.055 nan 8.240 nan 0.000 0.435 2265 V N 1.664 121.298 119.914 -0.467 0.000 2.490 2265 V HA -0.109 4.009 4.120 -0.002 0.000 0.250 2265 V C 2.526 178.519 176.094 -0.168 0.000 1.061 2265 V CA 1.443 63.522 62.300 -0.368 0.000 1.064 2265 V CB -0.482 31.235 31.823 -0.177 0.000 0.670 2265 V HN 0.396 nan 8.190 nan 0.000 0.461 2266 E N -0.311 119.836 120.200 -0.088 0.000 2.347 2266 E HA -0.095 4.254 4.350 -0.002 0.000 0.196 2266 E C 2.261 178.859 176.600 -0.004 0.000 1.008 2266 E CA 0.983 57.367 56.400 -0.027 0.000 0.852 2266 E CB -0.228 29.498 29.700 0.044 0.000 0.783 2266 E HN 0.555 nan 8.360 nan 0.000 0.505 2267 T N 0.671 115.222 114.554 -0.004 0.000 2.809 2267 T HA -0.032 4.317 4.350 -0.002 0.000 0.260 2267 T C 1.392 176.234 174.700 0.236 0.000 1.039 2267 T CA 0.462 62.620 62.100 0.095 0.000 1.141 2267 T CB -0.120 68.813 68.868 0.107 0.000 0.869 2267 T HN 0.048 nan 8.240 nan 0.000 0.437 2268 F N 1.585 121.491 119.950 -0.073 0.000 2.102 2268 F HA 0.125 4.651 4.527 -0.002 0.000 0.298 2268 F C 2.221 177.966 175.800 -0.091 0.000 1.105 2268 F CA 0.649 58.596 58.000 -0.089 0.000 1.239 2268 F CB -0.638 38.294 39.000 -0.113 0.000 0.991 2268 F HN -0.034 nan 8.300 nan 0.000 0.474 2269 R N 0.468 121.034 120.500 0.111 0.000 2.541 2269 R HA -0.043 4.296 4.340 -0.002 0.000 0.245 2269 R C 0.403 176.699 176.300 -0.008 0.000 1.154 2269 R CA 0.346 56.450 56.100 0.007 0.000 1.179 2269 R CB -0.422 29.849 30.300 -0.048 0.000 1.189 2269 R HN 0.190 nan 8.270 nan 0.000 0.526 2270 D N -1.520 118.890 120.400 0.017 0.000 2.266 2270 D HA 0.087 4.726 4.640 -0.002 0.000 0.304 2270 D C 1.213 177.514 176.300 0.001 0.000 1.080 2270 D CA 0.091 54.093 54.000 0.004 0.000 0.850 2270 D CB 0.410 41.217 40.800 0.011 0.000 1.515 2270 D HN 0.120 nan 8.370 nan 0.000 0.531 2271 I N -0.099 120.473 120.570 0.005 0.000 2.385 2271 I HA -0.067 4.102 4.170 -0.002 0.000 0.244 2271 I C 2.148 178.240 176.117 -0.042 0.000 1.089 2271 I CA 0.457 61.743 61.300 -0.023 0.000 1.410 2271 I CB 0.304 38.278 38.000 -0.044 0.000 1.117 2271 I HN -0.150 nan 8.210 nan 0.000 0.429 2272 V N 0.936 120.818 119.914 -0.053 0.000 2.490 2272 V HA -0.259 3.860 4.120 -0.002 0.000 0.250 2272 V C 2.618 178.685 176.094 -0.046 0.000 1.061 2272 V CA 1.985 64.246 62.300 -0.066 0.000 1.064 2272 V CB -0.954 30.819 31.823 -0.084 0.000 0.670 2272 V HN 0.609 nan 8.190 nan 0.000 0.461 2273 S N 1.422 117.101 115.700 -0.035 0.000 2.365 2273 S HA -0.122 4.347 4.470 -0.002 0.000 0.225 2273 S C 1.651 176.239 174.600 -0.019 0.000 1.039 2273 S CA 1.459 59.643 58.200 -0.028 0.000 1.033 2273 S CB -0.754 62.430 63.200 -0.026 0.000 0.887 2273 S HN 0.609 nan 8.310 nan 0.000 0.447 2274 G N 0.148 108.938 108.800 -0.017 0.000 4.420 2274 G HA2 0.593 4.552 3.960 -0.002 0.000 0.299 2274 G HA3 0.593 4.552 3.960 -0.002 0.000 0.299 2274 G C 0.276 175.171 174.900 -0.008 0.000 1.343 2274 G CA -0.297 44.797 45.100 -0.010 0.000 1.272 2274 G HN 0.378 nan 8.290 nan 0.000 0.610 2275 L N -0.021 121.196 121.223 -0.010 0.000 2.547 2275 L HA 0.444 4.783 4.340 -0.002 0.000 0.218 2275 L C 2.142 179.025 176.870 0.022 0.000 1.048 2275 L CA 0.530 55.366 54.840 -0.006 0.000 0.859 2275 L CB 0.031 42.070 42.059 -0.034 0.000 1.128 2275 L HN 0.247 nan 8.230 nan 0.000 0.483 2276 L N -0.087 121.142 121.223 0.010 0.000 2.201 2276 L HA -0.130 4.208 4.340 -0.002 0.000 0.212 2276 L C 1.526 178.444 176.870 0.081 0.000 1.105 2276 L CA 1.560 56.418 54.840 0.029 0.000 0.775 2276 L CB -0.643 41.412 42.059 -0.007 0.000 0.913 2276 L HN 0.258 nan 8.230 nan 0.000 0.440 2277 D N -1.734 118.694 120.400 0.047 0.000 2.269 2277 D HA -0.091 4.548 4.640 -0.002 0.000 0.208 2277 D C 2.289 178.615 176.300 0.043 0.000 0.963 2277 D CA 0.775 54.799 54.000 0.040 0.000 0.864 2277 D CB 0.133 40.943 40.800 0.016 0.000 0.936 2277 D HN 0.151 nan 8.370 nan 0.000 0.505 2278 V N 0.259 120.204 119.914 0.052 0.000 2.379 2278 V HA -0.236 3.883 4.120 -0.002 0.000 0.245 2278 V C 2.005 178.137 176.094 0.063 0.000 1.044 2278 V CA 1.212 63.537 62.300 0.043 0.000 1.036 2278 V CB -0.646 31.199 31.823 0.037 0.000 0.664 2278 V HN 0.187 nan 8.190 nan 0.000 0.453 2279 Y N 0.617 120.902 120.300 -0.025 0.000 2.049 2279 Y HA -0.284 4.265 4.550 -0.002 0.000 0.277 2279 Y C 2.343 178.229 175.900 -0.024 0.000 1.143 2279 Y CA 2.072 60.157 58.100 -0.024 0.000 1.115 2279 Y CB -0.456 37.990 38.460 -0.023 0.000 0.975 2279 Y HN 0.165 nan 8.280 nan 0.000 0.487 2280 L N -0.609 120.699 121.223 0.141 0.000 2.137 2280 L HA -0.267 4.072 4.340 -0.002 0.000 0.213 2280 L C 2.457 179.299 176.870 -0.046 0.000 1.085 2280 L CA 2.248 57.112 54.840 0.041 0.000 0.760 2280 L CB -0.758 41.345 42.059 0.074 0.000 0.893 2280 L HN 0.233 nan 8.230 nan 0.000 0.434 2281 S N -2.012 113.664 115.700 -0.040 0.000 2.377 2281 S HA -0.127 4.342 4.470 -0.002 0.000 0.223 2281 S C 2.086 176.631 174.600 -0.091 0.000 1.030 2281 S CA 1.113 59.281 58.200 -0.054 0.000 0.970 2281 S CB -0.065 63.115 63.200 -0.033 0.000 0.830 2281 S HN 0.581 nan 8.310 nan 0.000 0.473 2282 S N 0.686 116.314 115.700 -0.120 0.000 2.368 2282 S HA -0.069 4.400 4.470 -0.002 0.000 0.225 2282 S C 1.848 176.323 174.600 -0.207 0.000 1.030 2282 S CA 1.171 59.280 58.200 -0.153 0.000 0.999 2282 S CB -0.295 62.808 63.200 -0.161 0.000 0.844 2282 S HN 0.296 nan 8.310 nan 0.000 0.459 2283 V N 0.878 120.609 119.914 -0.305 0.000 2.323 2283 V HA -0.057 4.062 4.120 -0.002 0.000 0.244 2283 V C 2.485 178.482 176.094 -0.161 0.000 1.041 2283 V CA 1.984 64.109 62.300 -0.291 0.000 1.025 2283 V CB -0.704 30.868 31.823 -0.418 0.000 0.656 2283 V HN 0.451 nan 8.190 nan 0.000 0.451 2284 S N 0.191 115.817 115.700 -0.124 0.000 2.500 2284 S HA -0.147 4.322 4.470 -0.002 0.000 0.239 2284 S C 1.806 176.359 174.600 -0.079 0.000 0.989 2284 S CA 1.086 59.236 58.200 -0.082 0.000 0.951 2284 S CB -0.411 62.753 63.200 -0.061 0.000 0.759 2284 S HN 0.592 nan 8.310 nan 0.000 0.523 2285 N N 1.291 119.938 118.700 -0.089 0.000 2.333 2285 N HA 0.073 4.812 4.740 -0.002 0.000 0.178 2285 N C 1.528 176.990 175.510 -0.081 0.000 1.018 2285 N CA 0.953 53.955 53.050 -0.079 0.000 0.882 2285 N CB 0.029 38.469 38.487 -0.078 0.000 0.984 2285 N HN 0.300 nan 8.380 nan 0.000 0.434 2286 K N -0.889 119.455 120.400 -0.093 0.000 2.031 2286 K HA 0.072 4.391 4.320 -0.002 0.000 0.205 2286 K C 1.027 177.582 176.600 -0.074 0.000 1.049 2286 K CA 1.182 57.419 56.287 -0.084 0.000 0.939 2286 K CB -0.094 32.348 32.500 -0.096 0.000 0.717 2286 K HN 0.037 nan 8.250 nan 0.000 0.438 2287 T N 1.143 115.652 114.554 -0.075 0.000 3.400 2287 T HA -0.037 4.312 4.350 -0.002 0.000 0.254 2287 T C 0.875 175.539 174.700 -0.061 0.000 1.153 2287 T CA 0.680 62.742 62.100 -0.062 0.000 1.012 2287 T CB -0.323 68.511 68.868 -0.057 0.000 0.994 2287 T HN 0.240 nan 8.240 nan 0.000 0.555 2288 N N 0.858 119.518 118.700 -0.066 0.000 2.508 2288 N HA 0.053 4.792 4.740 -0.002 0.000 0.186 2288 N C 1.683 177.148 175.510 -0.075 0.000 1.034 2288 N CA 0.409 53.417 53.050 -0.069 0.000 0.885 2288 N CB 0.345 38.790 38.487 -0.070 0.000 1.135 2288 N HN 0.284 nan 8.380 nan 0.000 0.435 2289 E N 0.006 120.163 120.200 -0.072 0.000 2.023 2289 E HA -0.177 4.172 4.350 -0.002 0.000 0.196 2289 E C 1.859 178.419 176.600 -0.066 0.000 1.003 2289 E CA 1.537 57.895 56.400 -0.071 0.000 0.809 2289 E CB -0.249 29.413 29.700 -0.063 0.000 0.755 2289 E HN 0.078 nan 8.360 nan 0.000 0.449 2290 V N 1.325 121.204 119.914 -0.059 0.000 2.252 2290 V HA -0.320 3.799 4.120 -0.002 0.000 0.249 2290 V C 2.394 178.457 176.094 -0.053 0.000 1.056 2290 V CA 1.643 63.911 62.300 -0.052 0.000 1.022 2290 V CB -0.385 31.410 31.823 -0.046 0.000 0.641 2290 V HN 0.382 nan 8.190 nan 0.000 0.445 2291 M N -0.677 118.890 119.600 -0.055 0.000 2.144 2291 M HA -0.230 4.249 4.480 -0.002 0.000 0.260 2291 M C 2.155 178.416 176.300 -0.065 0.000 1.067 2291 M CA 1.881 57.149 55.300 -0.054 0.000 1.095 2291 M CB -1.062 31.505 32.600 -0.054 0.000 1.365 2291 M HN 0.337 nan 8.290 nan 0.000 0.406 2292 K N -0.720 119.630 120.400 -0.083 0.000 2.007 2292 K HA -0.083 4.236 4.320 -0.002 0.000 0.206 2292 K C 1.949 178.490 176.600 -0.097 0.000 1.047 2292 K CA 0.938 57.155 56.287 -0.117 0.000 0.937 2292 K CB -0.031 32.385 32.500 -0.140 0.000 0.718 2292 K HN 0.070 nan 8.250 nan 0.000 0.438 2293 V N 1.765 121.634 119.914 -0.074 0.000 2.282 2293 V HA -0.275 3.844 4.120 -0.002 0.000 0.249 2293 V C 2.276 178.345 176.094 -0.043 0.000 1.057 2293 V CA 1.770 64.037 62.300 -0.055 0.000 1.032 2293 V CB -0.349 31.442 31.823 -0.054 0.000 0.645 2293 V HN 0.372 nan 8.190 nan 0.000 0.447 2294 L N -0.341 120.856 121.223 -0.042 0.000 2.079 2294 L HA -0.173 4.166 4.340 -0.002 0.000 0.210 2294 L C 2.490 179.356 176.870 -0.006 0.000 1.081 2294 L CA 2.728 57.550 54.840 -0.030 0.000 0.752 2294 L CB -0.926 41.117 42.059 -0.028 0.000 0.896 2294 L HN 0.358 nan 8.230 nan 0.000 0.433 2295 T N -1.285 113.267 114.554 -0.004 0.000 3.023 2295 T HA 0.020 4.369 4.350 -0.002 0.000 0.266 2295 T C 1.817 176.600 174.700 0.138 0.000 1.093 2295 T CA 0.984 63.106 62.100 0.037 0.000 1.129 2295 T CB -0.141 68.725 68.868 -0.003 0.000 0.899 2295 T HN 0.318 nan 8.240 nan 0.000 0.491 2296 I N 0.278 120.930 120.570 0.137 0.000 2.188 2296 I HA 0.093 4.262 4.170 -0.002 0.000 0.237 2296 I C 1.102 177.326 176.117 0.178 0.000 1.073 2296 I CA 0.961 62.467 61.300 0.343 0.000 1.359 2296 I CB -0.185 37.978 38.000 0.271 0.000 1.083 2296 I HN 0.094 nan 8.210 nan 0.000 0.412 2297 I N 1.801 122.380 120.570 0.014 0.000 2.848 2297 I HA 0.008 4.177 4.170 -0.002 0.000 0.274 2297 I C 0.676 176.754 176.117 -0.064 0.000 1.049 2297 I CA 0.318 61.519 61.300 -0.166 0.000 2.038 2297 I CB -0.381 37.434 38.000 -0.308 0.000 1.403 2297 I HN 0.286 nan 8.210 nan 0.000 0.847 2298 A N 0.276 123.138 122.820 0.069 0.000 2.374 2298 A HA 0.158 4.477 4.320 -0.002 0.000 0.212 2298 A C 0.883 178.541 177.584 0.123 0.000 1.747 2298 A CA -0.226 51.869 52.037 0.096 0.000 1.235 2298 A CB -0.037 18.997 19.000 0.057 0.000 0.997 2298 A HN 0.270 nan 8.150 nan 0.000 0.456 2299 T N -0.428 114.218 114.554 0.154 0.000 3.130 2299 T HA 0.359 4.708 4.350 -0.002 0.000 0.288 2299 T C 0.975 175.725 174.700 0.083 0.000 0.936 2299 T CA 0.567 62.741 62.100 0.122 0.000 0.897 2299 T CB -0.055 68.924 68.868 0.185 0.000 1.178 2299 T HN 0.309 nan 8.240 nan 0.000 0.543 2300 I N -0.973 119.713 120.570 0.193 0.000 4.433 2300 I HA 0.271 4.440 4.170 -0.002 0.000 0.322 2300 I C 0.625 176.917 176.117 0.292 0.000 1.284 2300 I CA 0.349 61.791 61.300 0.237 0.000 1.269 2300 I CB 0.520 38.730 38.000 0.350 0.000 1.219 2300 I HN 0.109 nan 8.210 nan 0.000 0.436 2301 F N -0.037 119.918 119.950 0.009 0.000 2.678 2301 F HA 0.305 4.830 4.527 -0.002 0.000 0.305 2301 F C 1.881 177.695 175.800 0.023 0.000 1.090 2301 F CA 0.225 58.233 58.000 0.013 0.000 1.272 2301 F CB 0.129 39.139 39.000 0.017 0.000 1.060 2301 F HN -0.089 nan 8.300 nan 0.000 0.576 2302 M N 0.432 120.145 119.600 0.188 0.000 2.615 2302 M HA 0.109 4.588 4.480 -0.002 0.000 0.262 2302 M C -0.812 175.543 176.300 0.092 0.000 1.198 2302 M CA 0.615 55.986 55.300 0.117 0.000 1.165 2302 M CB -0.483 32.170 32.600 0.087 0.000 1.310 2302 M HN -0.219 nan 8.290 nan 0.000 0.494 2303 P HA -0.071 nan 4.420 nan 0.000 0.218 2303 P C 1.336 178.691 177.300 0.091 0.000 1.152 2303 P CA 1.103 64.245 63.100 0.071 0.000 0.826 2303 P CB 0.061 31.775 31.700 0.024 0.000 0.790 2304 L N -0.143 121.086 121.223 0.010 0.000 2.095 2304 L HA 0.010 4.349 4.340 -0.002 0.000 0.204 2304 L C 2.287 179.121 176.870 -0.060 0.000 1.080 2304 L CA 1.885 56.683 54.840 -0.070 0.000 0.759 2304 L CB -1.881 40.069 42.059 -0.182 0.000 0.914 2304 L HN -0.075 nan 8.230 nan 0.000 0.439 2305 T N -0.764 113.784 114.554 -0.010 0.000 3.155 2305 T HA -0.139 4.210 4.350 -0.002 0.000 0.264 2305 T C 1.433 176.173 174.700 0.067 0.000 1.160 2305 T CA 0.630 62.739 62.100 0.013 0.000 1.075 2305 T CB -0.380 68.517 68.868 0.049 0.000 0.921 2305 T HN 0.184 nan 8.240 nan 0.000 0.533 2306 F N 1.014 120.928 119.950 -0.060 0.000 2.262 2306 F HA 0.284 4.810 4.527 -0.002 0.000 0.292 2306 F C 1.701 177.442 175.800 -0.099 0.000 1.081 2306 F CA 0.046 58.010 58.000 -0.059 0.000 1.355 2306 F CB -0.267 38.705 39.000 -0.047 0.000 1.069 2306 F HN 0.052 nan 8.300 nan 0.000 0.506 2307 I N 0.774 121.177 120.570 -0.278 0.000 2.127 2307 I HA -0.278 3.891 4.170 -0.002 0.000 0.241 2307 I C 2.358 178.190 176.117 -0.476 0.000 1.075 2307 I CA 1.481 62.502 61.300 -0.464 0.000 1.334 2307 I CB -0.850 36.955 38.000 -0.325 0.000 1.040 2307 I HN 0.190 nan 8.210 nan 0.000 0.405 2308 A N 0.409 123.061 122.820 -0.279 0.000 2.258 2308 A HA 0.105 4.424 4.320 -0.002 0.000 0.206 2308 A C 2.001 179.517 177.584 -0.113 0.000 1.222 2308 A CA 1.157 53.091 52.037 -0.171 0.000 0.822 2308 A CB -1.032 17.903 19.000 -0.109 0.000 0.804 2308 A HN 0.532 nan 8.150 nan 0.000 0.483 2309 G N -0.154 108.535 108.800 -0.185 0.000 2.641 2309 G HA2 0.077 4.036 3.960 -0.002 0.000 0.207 2309 G HA3 0.077 4.036 3.960 -0.002 0.000 0.207 2309 G C 1.336 176.155 174.900 -0.136 0.000 1.137 2309 G CA 0.625 45.647 45.100 -0.129 0.000 0.824 2309 G HN 0.437 nan 8.290 nan 0.000 0.547 2310 I N 0.040 120.454 120.570 -0.259 0.000 2.315 2310 I HA -0.088 4.081 4.170 -0.002 0.000 0.248 2310 I C 1.457 177.696 176.117 0.205 0.000 1.117 2310 I CA 0.698 61.945 61.300 -0.089 0.000 1.404 2310 I CB -0.192 37.713 38.000 -0.158 0.000 1.071 2310 I HN 0.031 nan 8.210 nan 0.000 0.419 2311 Y N 1.302 121.540 120.300 -0.102 0.000 2.473 2311 Y HA 0.187 4.736 4.550 -0.002 0.000 0.329 2311 Y C 1.833 177.721 175.900 -0.019 0.000 1.207 2311 Y CA -0.502 57.573 58.100 -0.042 0.000 1.266 2311 Y CB -0.994 37.440 38.460 -0.043 0.000 1.091 2311 Y HN 0.050 nan 8.280 nan 0.000 0.501 2312 G N -0.723 108.146 108.800 0.115 0.000 3.575 2312 G HA2 0.136 4.095 3.960 -0.002 0.000 0.273 2312 G HA3 0.136 4.095 3.960 -0.002 0.000 0.273 2312 G C 0.390 175.312 174.900 0.036 0.000 1.053 2312 G CA -0.260 44.875 45.100 0.058 0.000 0.803 2312 G HN -0.071 nan 8.290 nan 0.000 0.528 2313 M N 1.335 120.972 119.600 0.062 0.000 2.217 2313 M HA 0.169 4.648 4.480 -0.002 0.000 0.352 2313 M C -0.269 176.099 176.300 0.114 0.000 1.376 2313 M CA -0.156 55.175 55.300 0.052 0.000 1.107 2313 M CB 0.109 32.811 32.600 0.171 0.000 1.723 2313 M HN 0.090 nan 8.290 nan 0.000 0.461 2314 N N 4.604 123.345 118.700 0.068 0.000 3.228 2314 N HA 0.419 5.158 4.740 -0.002 0.000 0.289 2314 N C -1.026 174.622 175.510 0.230 0.000 1.419 2314 N CA -0.316 52.800 53.050 0.109 0.000 1.088 2314 N CB 0.369 38.882 38.487 0.043 0.000 1.357 2314 N HN 0.480 nan 8.380 nan 0.000 0.504 2327 Y N 3.989 124.299 120.300 0.017 0.000 2.184 2327 Y HA 0.136 4.685 4.550 -0.002 0.000 0.290 2327 Y C -0.716 175.197 175.900 0.022 0.000 1.129 2327 Y CA 1.537 59.652 58.100 0.025 0.000 1.144 2327 Y CB 0.115 38.583 38.460 0.014 0.000 0.995 2327 Y HN 0.434 nan 8.280 nan 0.000 0.513 2328 P HA 0.028 nan 4.420 nan 0.000 0.259 2328 P C 0.592 177.868 177.300 -0.040 0.000 1.480 2328 P CA 0.664 63.736 63.100 -0.046 0.000 0.842 2328 P CB 0.164 31.885 31.700 0.035 0.000 1.513 2329 V N -1.605 118.293 119.914 -0.027 0.000 3.085 2329 V HA -0.026 4.093 4.120 -0.002 0.000 0.245 2329 V C 2.118 178.188 176.094 -0.039 0.000 1.114 2329 V CA 0.758 63.049 62.300 -0.014 0.000 1.108 2329 V CB -0.242 31.594 31.823 0.021 0.000 0.798 2329 V HN 0.023 nan 8.190 nan 0.000 0.471 2330 V N -0.392 119.485 119.914 -0.062 0.000 2.446 2330 V HA -0.058 4.061 4.120 -0.002 0.000 0.244 2330 V C 2.222 178.209 176.094 -0.178 0.000 1.039 2330 V CA 1.614 63.850 62.300 -0.106 0.000 1.045 2330 V CB 0.299 32.084 31.823 -0.063 0.000 0.681 2330 V HN 0.434 nan 8.190 nan 0.000 0.459 2331 L N 0.160 121.240 121.223 -0.238 0.000 2.217 2331 L HA 0.036 4.375 4.340 -0.002 0.000 0.211 2331 L C 2.494 179.277 176.870 -0.146 0.000 1.107 2331 L CA 1.915 56.617 54.840 -0.230 0.000 0.783 2331 L CB -0.745 41.131 42.059 -0.305 0.000 0.919 2331 L HN 0.341 nan 8.230 nan 0.000 0.442 2332 A N -1.587 121.166 122.820 -0.112 0.000 1.897 2332 A HA -0.120 4.199 4.320 -0.002 0.000 0.215 2332 A C 2.365 179.905 177.584 -0.072 0.000 1.181 2332 A CA 1.590 53.582 52.037 -0.075 0.000 0.620 2332 A CB -0.805 18.165 19.000 -0.051 0.000 0.821 2332 A HN 0.178 nan 8.150 nan 0.000 0.443 2333 V N -0.379 119.488 119.914 -0.079 0.000 2.871 2333 V HA -0.123 3.996 4.120 -0.002 0.000 0.256 2333 V C 2.267 178.305 176.094 -0.093 0.000 1.082 2333 V CA 1.671 63.926 62.300 -0.075 0.000 1.105 2333 V CB -0.397 31.386 31.823 -0.067 0.000 0.713 2333 V HN 0.582 nan 8.190 nan 0.000 0.473 2334 M N -0.502 119.027 119.600 -0.118 0.000 2.248 2334 M HA 0.062 4.541 4.480 -0.002 0.000 0.265 2334 M C 2.141 178.371 176.300 -0.116 0.000 1.079 2334 M CA 1.695 56.916 55.300 -0.131 0.000 1.150 2334 M CB -0.685 31.815 32.600 -0.168 0.000 1.366 2334 M HN 0.437 nan 8.290 nan 0.000 0.433 2335 G N -0.723 108.014 108.800 -0.106 0.000 2.509 2335 G HA2 -0.104 3.855 3.960 -0.002 0.000 0.218 2335 G HA3 -0.104 3.855 3.960 -0.002 0.000 0.218 2335 G C 1.445 176.308 174.900 -0.062 0.000 1.124 2335 G CA 0.408 45.458 45.100 -0.083 0.000 0.776 2335 G HN 0.319 nan 8.290 nan 0.000 0.547 2336 V N 0.369 120.247 119.914 -0.060 0.000 2.535 2336 V HA 0.119 4.238 4.120 -0.002 0.000 0.246 2336 V C 2.614 178.677 176.094 -0.051 0.000 1.045 2336 V CA 0.823 63.094 62.300 -0.047 0.000 1.058 2336 V CB -0.112 31.686 31.823 -0.042 0.000 0.689 2336 V HN 0.402 nan 8.190 nan 0.000 0.461 2337 I N 0.674 121.207 120.570 -0.062 0.000 2.315 2337 I HA -0.109 4.060 4.170 -0.002 0.000 0.248 2337 I C 2.247 178.322 176.117 -0.069 0.000 1.117 2337 I CA 1.305 62.565 61.300 -0.066 0.000 1.404 2337 I CB -0.387 37.572 38.000 -0.067 0.000 1.071 2337 I HN 0.326 nan 8.210 nan 0.000 0.419 2338 A N -0.258 122.521 122.820 -0.068 0.000 2.250 2338 A HA 0.105 4.424 4.320 -0.002 0.000 0.208 2338 A C 1.711 179.274 177.584 -0.035 0.000 1.254 2338 A CA 0.790 52.795 52.037 -0.052 0.000 0.858 2338 A CB -0.359 18.604 19.000 -0.063 0.000 0.820 2338 A HN 0.300 nan 8.150 nan 0.000 0.484 2339 V N -1.647 118.243 119.914 -0.041 0.000 3.193 2339 V HA 0.055 4.174 4.120 -0.002 0.000 0.237 2339 V C 1.769 177.848 176.094 -0.026 0.000 1.447 2339 V CA 0.445 62.730 62.300 -0.025 0.000 1.227 2339 V CB -0.147 31.665 31.823 -0.017 0.000 1.040 2339 V HN 0.528 nan 8.190 nan 0.000 0.458 2340 I N 0.127 120.674 120.570 -0.039 0.000 2.850 2340 I HA -0.220 3.949 4.170 -0.002 0.000 0.266 2340 I C 2.163 178.247 176.117 -0.054 0.000 1.257 2340 I CA 1.304 62.581 61.300 -0.039 0.000 1.465 2340 I CB -0.166 37.801 38.000 -0.055 0.000 1.091 2340 I HN 0.336 nan 8.210 nan 0.000 0.467 2341 M N -0.464 119.076 119.600 -0.100 0.000 2.384 2341 M HA 0.019 4.498 4.480 -0.002 0.000 0.258 2341 M C 2.090 178.235 176.300 -0.258 0.000 1.130 2341 M CA 1.167 56.328 55.300 -0.232 0.000 1.187 2341 M CB -0.594 31.844 32.600 -0.270 0.000 1.307 2341 M HN -0.029 nan 8.290 nan 0.000 0.468 2342 V N -0.069 119.776 119.914 -0.116 0.000 3.078 2342 V HA -0.115 4.004 4.120 -0.002 0.000 0.265 2342 V C 1.856 177.978 176.094 0.047 0.000 1.122 2342 V CA 0.951 63.244 62.300 -0.011 0.000 1.141 2342 V CB -0.153 31.686 31.823 0.026 0.000 0.735 2342 V HN 0.249 nan 8.190 nan 0.000 0.498 2343 V N -0.950 118.988 119.914 0.041 0.000 2.426 2343 V HA -0.124 3.995 4.120 -0.002 0.000 0.242 2343 V C 2.081 178.258 176.094 0.139 0.000 1.036 2343 V CA 1.853 64.198 62.300 0.075 0.000 1.044 2343 V CB -0.645 31.212 31.823 0.057 0.000 0.688 2343 V HN 0.703 nan 8.190 nan 0.000 0.462 2344 Y N 0.309 120.616 120.300 0.012 0.000 2.315 2344 Y HA -0.143 4.406 4.550 -0.002 0.000 0.288 2344 Y C 1.449 177.534 175.900 0.309 0.000 1.154 2344 Y CA 1.008 59.160 58.100 0.086 0.000 1.229 2344 Y CB -0.210 38.255 38.460 0.007 0.000 0.980 2344 Y HN 0.262 nan 8.280 nan 0.000 0.540 2345 F N 0.991 120.883 119.950 -0.097 0.000 2.913 2345 F HA 0.254 4.780 4.527 -0.002 0.000 0.306 2345 F C 1.254 176.992 175.800 -0.104 0.000 1.205 2345 F CA -0.252 57.647 58.000 -0.168 0.000 1.359 2345 F CB -0.391 38.562 39.000 -0.077 0.000 1.260 2345 F HN -0.020 nan 8.300 nan 0.000 0.545 2346 K N -0.251 120.191 120.400 0.069 0.000 2.402 2346 K HA 0.181 4.499 4.320 -0.002 0.000 0.204 2346 K C 1.547 178.135 176.600 -0.020 0.000 1.056 2346 K CA 0.302 56.604 56.287 0.025 0.000 1.069 2346 K CB 0.359 32.883 32.500 0.040 0.000 0.888 2346 K HN 0.033 nan 8.250 nan 0.000 0.546 2347 K N -0.377 119.984 120.400 -0.066 0.000 2.314 2347 K HA 0.059 4.378 4.320 -0.002 0.000 0.198 2347 K C 1.204 177.727 176.600 -0.129 0.000 1.045 2347 K CA 0.679 56.911 56.287 -0.091 0.000 0.988 2347 K CB 0.351 32.779 32.500 -0.120 0.000 0.783 2347 K HN -0.106 nan 8.250 nan 0.000 0.484 2348 K N 0.603 120.898 120.400 -0.175 0.000 2.387 2348 K HA 0.110 4.428 4.320 -0.002 0.000 0.203 2348 K C -0.290 176.210 176.600 -0.167 0.000 1.030 2348 K CA 0.109 56.259 56.287 -0.228 0.000 1.099 2348 K CB 0.557 32.796 32.500 -0.435 0.000 0.863 2348 K HN -0.140 nan 8.250 nan 0.000 0.529 2349 K N 0.000 120.340 120.400 -0.099 0.000 2.780 2349 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 2349 K CA 0.000 56.249 56.287 -0.064 0.000 0.838 2349 K CB 0.000 32.476 32.500 -0.040 0.000 1.064 2349 K HN 0.000 nan 8.250 nan 0.000 0.543