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 1o5w_1_C DATA FIRST_RESID 2010 DATA SEQUENCE AGHMFDVVVI GGGISGLAAA KLLSEYKINV LVLEARDRVG GRTYTVRNEH DATA SEQUENCE VKWVDVGGAY VGPTQNRILR LSKELGIETY KVNVNERLVQ YVKGKTYPFR DATA SEQUENCE GAFPPVWNPL AYLDYNNLWR TMDEMGKEIP VDAPWQARHA QEWDKMTMKD DATA SEQUENCE LIDKICWTKT AREFAYLFVN INVTSEPHEV SALWFLWYVR QCGGTARIFS DATA SEQUENCE VTNGGQERKF VGGSGQVSEQ IMGLLGDKVK LSSPVTYIDQ TDDNIIVETL DATA SEQUENCE NHEHYECKYV ISAIPPILTA KIHFKPELPP ERNQLIQRLP MGAVIKCMVY DATA SEQUENCE YKEAFWKKKD YCGCMIIEDE EAPIAITLDD TKPDGSLPAI MGFILARKAD DATA SEQUENCE RLAKLHKDIR KRKICELYAK VLGSQEALYP VHYEEKNWCE EQYSGGCYTA DATA SEQUENCE YFPPGIMTQY GRVIRQPVGR IYFAGTETAT QWSGYMEGAV EAGERAAREV DATA SEQUENCE LNALGKVAKK DIWVEEPESK DVPAIEITHT FLERNLPSVP GLLKITGVST DATA SEQUENCE SVALLCFVLY KI 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 2010 A HA 0.000 nan 4.320 nan 0.000 0.244 2010 A C 0.000 177.698 177.584 0.191 0.000 1.274 2010 A CA 0.000 52.125 52.037 0.147 0.000 0.836 2010 A CB 0.000 19.037 19.000 0.062 0.000 0.831 2011 G N 0.368 109.142 108.800 -0.044 0.000 2.439 2011 G HA2 0.508 4.468 3.960 -0.000 0.000 0.298 2011 G HA3 0.508 4.468 3.960 -0.000 0.000 0.298 2011 G C -0.088 174.739 174.900 -0.121 0.000 1.044 2011 G CA 0.175 45.076 45.100 -0.331 0.000 1.168 2011 G HN 0.668 nan 8.290 nan 0.000 0.433 2012 H N 1.707 120.940 119.070 0.273 0.000 3.379 2012 H HA 0.497 5.053 4.556 -0.000 0.000 0.298 2012 H C -0.358 175.187 175.328 0.362 0.000 1.672 2012 H CA -0.725 55.441 56.048 0.197 0.000 1.446 2012 H CB 2.066 31.816 29.762 -0.020 0.000 1.710 2012 H HN 0.290 nan 8.280 nan 0.000 0.791 2013 M N 1.671 121.473 119.600 0.337 0.000 2.268 2013 M HA 0.313 4.793 4.480 -0.000 0.000 0.344 2013 M C -1.484 174.841 176.300 0.041 0.000 1.106 2013 M CA -0.153 55.319 55.300 0.288 0.000 1.010 2013 M CB 0.106 32.813 32.600 0.179 0.000 1.649 2013 M HN 0.385 nan 8.290 nan 0.000 0.443 2014 F N 1.214 121.241 119.950 0.129 0.000 2.640 2014 F HA 0.368 4.895 4.527 -0.000 0.000 0.324 2014 F C 1.217 177.058 175.800 0.069 0.000 1.077 2014 F CA -0.950 57.102 58.000 0.086 0.000 0.965 2014 F CB 1.132 40.178 39.000 0.076 0.000 1.351 2014 F HN 0.505 nan 8.300 nan 0.000 0.487 2015 D N 0.191 120.747 120.400 0.260 0.000 2.084 2015 D HA 0.010 4.650 4.640 -0.000 0.000 0.199 2015 D C 0.104 176.521 176.300 0.195 0.000 0.981 2015 D CA 1.699 55.811 54.000 0.187 0.000 0.841 2015 D CB 0.208 41.095 40.800 0.145 0.000 0.997 2015 D HN -0.008 nan 8.370 nan 0.000 0.454 2016 V N 1.363 121.377 119.914 0.166 0.000 2.604 2016 V HA 0.323 4.442 4.120 -0.000 0.000 0.305 2016 V C -0.096 176.013 176.094 0.026 0.000 1.043 2016 V CA -0.739 61.624 62.300 0.105 0.000 0.888 2016 V CB 2.623 34.475 31.823 0.048 0.000 0.995 2016 V HN -0.183 nan 8.190 nan 0.000 0.429 2017 V N 5.087 124.984 119.914 -0.027 0.000 2.384 2017 V HA 0.447 4.566 4.120 -0.000 0.000 0.287 2017 V C -0.230 175.788 176.094 -0.125 0.000 1.020 2017 V CA -0.601 61.611 62.300 -0.147 0.000 0.850 2017 V CB 1.934 33.648 31.823 -0.182 0.000 0.987 2017 V HN 0.595 nan 8.190 nan 0.000 0.436 2018 V N 6.704 126.528 119.914 -0.150 0.000 2.347 2018 V HA 0.435 4.555 4.120 -0.000 0.000 0.280 2018 V C 0.055 176.074 176.094 -0.124 0.000 1.021 2018 V CA -0.340 61.893 62.300 -0.112 0.000 0.847 2018 V CB 1.587 33.358 31.823 -0.087 0.000 0.990 2018 V HN 0.676 nan 8.190 nan 0.000 0.444 2019 I N 5.310 125.822 120.570 -0.096 0.000 2.322 2019 I HA 0.623 4.793 4.170 -0.000 0.000 0.292 2019 I C 0.772 176.866 176.117 -0.039 0.000 1.060 2019 I CA 0.184 61.435 61.300 -0.082 0.000 1.309 2019 I CB 0.845 38.808 38.000 -0.061 0.000 1.415 2019 I HN 0.813 nan 8.210 nan 0.000 0.492 2020 G N 3.671 112.444 108.800 -0.045 0.000 3.084 2020 G HA2 0.050 4.010 3.960 -0.000 0.000 0.543 2020 G HA3 0.050 4.010 3.960 -0.000 0.000 0.543 2020 G C -0.024 174.866 174.900 -0.017 0.000 1.239 2020 G CA -0.586 44.508 45.100 -0.010 0.000 1.190 2020 G HN 0.895 nan 8.290 nan 0.000 0.549 2021 G N 0.548 109.337 108.800 -0.018 0.000 3.562 2021 G HA2 0.614 4.574 3.960 -0.000 0.000 0.279 2021 G HA3 0.614 4.574 3.960 -0.000 0.000 0.279 2021 G C 0.871 175.781 174.900 0.017 0.000 1.314 2021 G CA 0.832 45.923 45.100 -0.014 0.000 1.189 2021 G HN 1.135 nan 8.290 nan 0.000 0.562 2022 G N -0.400 108.420 108.800 0.033 0.000 2.532 2022 G HA2 0.414 4.374 3.960 -0.000 0.000 0.291 2022 G HA3 0.414 4.374 3.960 -0.000 0.000 0.291 2022 G C 1.084 176.013 174.900 0.049 0.000 1.349 2022 G CA -0.788 44.347 45.100 0.057 0.000 1.038 2022 G HN 0.101 nan 8.290 nan 0.000 0.518 2023 I N -0.425 120.182 120.570 0.061 0.000 2.113 2023 I HA -0.216 3.954 4.170 -0.000 0.000 0.238 2023 I C 3.066 179.210 176.117 0.044 0.000 1.070 2023 I CA 1.833 63.163 61.300 0.051 0.000 1.332 2023 I CB -0.199 37.841 38.000 0.066 0.000 1.044 2023 I HN 0.517 nan 8.210 nan 0.000 0.402 2024 S N 0.656 116.391 115.700 0.059 0.000 2.387 2024 S HA -0.179 4.291 4.470 -0.000 0.000 0.230 2024 S C 2.024 176.643 174.600 0.032 0.000 1.035 2024 S CA 1.752 59.985 58.200 0.054 0.000 1.014 2024 S CB -0.727 62.521 63.200 0.081 0.000 0.836 2024 S HN 0.590 nan 8.310 nan 0.000 0.466 2025 G N 1.908 110.726 108.800 0.031 0.000 2.484 2025 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.215 2025 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.215 2025 G C 1.297 176.193 174.900 -0.006 0.000 1.219 2025 G CA 1.016 46.121 45.100 0.008 0.000 0.791 2025 G HN 0.440 nan 8.290 nan 0.000 0.550 2026 L N 1.702 122.924 121.223 -0.002 0.000 1.989 2026 L HA -0.061 4.279 4.340 -0.000 0.000 0.211 2026 L C 3.419 180.284 176.870 -0.009 0.000 1.071 2026 L CA 1.732 56.567 54.840 -0.008 0.000 0.749 2026 L CB -1.583 40.473 42.059 -0.004 0.000 0.890 2026 L HN 0.342 nan 8.230 nan 0.000 0.431 2027 A N -0.277 122.541 122.820 -0.003 0.000 1.896 2027 A HA -0.320 4.000 4.320 -0.000 0.000 0.220 2027 A C 2.518 180.091 177.584 -0.018 0.000 1.206 2027 A CA 2.922 54.956 52.037 -0.006 0.000 0.647 2027 A CB -1.062 17.940 19.000 0.003 0.000 0.828 2027 A HN 0.461 nan 8.150 nan 0.000 0.455 2028 A N -0.581 122.224 122.820 -0.026 0.000 1.858 2028 A HA 0.146 4.466 4.320 -0.000 0.000 0.216 2028 A C 2.603 180.160 177.584 -0.044 0.000 1.190 2028 A CA 2.577 54.585 52.037 -0.048 0.000 0.617 2028 A CB -1.312 17.657 19.000 -0.052 0.000 0.827 2028 A HN 1.347 nan 8.150 nan 0.000 0.443 2029 A N -0.266 122.534 122.820 -0.033 0.000 1.903 2029 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 2029 A C 2.131 179.710 177.584 -0.008 0.000 1.191 2029 A CA 2.395 54.417 52.037 -0.025 0.000 0.638 2029 A CB -0.594 18.390 19.000 -0.027 0.000 0.823 2029 A HN 0.600 nan 8.150 nan 0.000 0.451 2030 K N -0.635 119.762 120.400 -0.005 0.000 1.965 2030 K HA -0.118 4.202 4.320 -0.000 0.000 0.218 2030 K C 2.008 178.621 176.600 0.023 0.000 1.048 2030 K CA 1.615 57.906 56.287 0.007 0.000 0.960 2030 K CB -0.492 32.009 32.500 0.003 0.000 0.732 2030 K HN 0.413 nan 8.250 nan 0.000 0.444 2031 L N 1.268 122.500 121.223 0.015 0.000 2.064 2031 L HA -0.284 4.056 4.340 -0.000 0.000 0.216 2031 L C 2.333 179.237 176.870 0.057 0.000 1.077 2031 L CA 1.475 56.338 54.840 0.037 0.000 0.766 2031 L CB -0.269 41.775 42.059 -0.026 0.000 0.890 2031 L HN 0.407 nan 8.230 nan 0.000 0.435 2032 L N -0.919 120.302 121.223 -0.004 0.000 2.093 2032 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 2032 L C 2.848 179.762 176.870 0.074 0.000 1.085 2032 L CA 1.537 56.376 54.840 -0.002 0.000 0.755 2032 L CB -0.594 41.444 42.059 -0.036 0.000 0.904 2032 L HN 0.455 nan 8.230 nan 0.000 0.435 2033 S N -0.359 115.379 115.700 0.063 0.000 2.383 2033 S HA -0.193 4.277 4.470 -0.000 0.000 0.227 2033 S C 1.646 176.293 174.600 0.079 0.000 1.026 2033 S CA 1.024 59.263 58.200 0.066 0.000 0.981 2033 S CB -0.366 62.861 63.200 0.045 0.000 0.818 2033 S HN 0.475 nan 8.310 nan 0.000 0.472 2034 E N -0.262 119.996 120.200 0.097 0.000 2.333 2034 E HA -0.113 4.237 4.350 -0.000 0.000 0.198 2034 E C 0.497 177.137 176.600 0.066 0.000 1.007 2034 E CA 0.935 57.381 56.400 0.077 0.000 0.845 2034 E CB -0.249 29.506 29.700 0.091 0.000 0.766 2034 E HN 0.710 nan 8.360 nan 0.000 0.507 2035 Y N 0.481 120.771 120.300 -0.017 0.000 2.583 2035 Y HA 0.120 4.670 4.550 -0.000 0.000 0.294 2035 Y C 0.180 176.073 175.900 -0.012 0.000 1.170 2035 Y CA -0.257 57.832 58.100 -0.018 0.000 1.265 2035 Y CB 0.263 38.705 38.460 -0.029 0.000 1.119 2035 Y HN -0.197 nan 8.280 nan 0.000 0.522 2036 K N 0.110 120.561 120.400 0.085 0.000 3.016 2036 K HA -0.234 4.086 4.320 -0.000 0.000 0.262 2036 K C -0.431 176.209 176.600 0.066 0.000 1.043 2036 K CA 0.659 56.977 56.287 0.052 0.000 0.761 2036 K CB -1.843 30.669 32.500 0.020 0.000 1.230 2036 K HN 0.427 nan 8.250 nan 0.000 0.485 2037 I N 1.236 121.858 120.570 0.087 0.000 2.353 2037 I HA 0.051 4.221 4.170 -0.000 0.000 0.293 2037 I C 0.862 177.028 176.117 0.081 0.000 0.992 2037 I CA -0.716 60.630 61.300 0.076 0.000 1.268 2037 I CB 1.098 39.136 38.000 0.064 0.000 1.387 2037 I HN -0.011 nan 8.210 nan 0.000 0.478 2038 N N 6.397 125.150 118.700 0.088 0.000 2.466 2038 N HA 0.123 4.863 4.740 -0.000 0.000 0.263 2038 N C -1.049 174.596 175.510 0.226 0.000 1.178 2038 N CA 0.141 53.266 53.050 0.126 0.000 0.983 2038 N CB 0.468 38.990 38.487 0.059 0.000 1.331 2038 N HN 0.342 nan 8.380 nan 0.000 0.500 2039 V N 4.281 124.316 119.914 0.202 0.000 2.581 2039 V HA 0.634 4.754 4.120 -0.000 0.000 0.303 2039 V C -0.834 175.323 176.094 0.104 0.000 1.041 2039 V CA -0.933 61.454 62.300 0.145 0.000 0.907 2039 V CB 1.597 33.447 31.823 0.047 0.000 0.994 2039 V HN 0.534 nan 8.190 nan 0.000 0.442 2040 L N 6.380 127.512 121.223 -0.151 0.000 2.342 2040 L HA 0.795 5.135 4.340 -0.000 0.000 0.271 2040 L C -0.988 175.683 176.870 -0.332 0.000 1.008 2040 L CA -0.093 54.473 54.840 -0.457 0.000 0.818 2040 L CB 2.177 43.421 42.059 -1.357 0.000 1.296 2040 L HN 0.461 nan 8.230 nan 0.000 0.427 2041 V N 5.835 125.582 119.914 -0.279 0.000 2.409 2041 V HA 0.418 4.538 4.120 -0.000 0.000 0.290 2041 V C -0.382 175.574 176.094 -0.231 0.000 1.017 2041 V CA -0.471 61.703 62.300 -0.210 0.000 0.841 2041 V CB 1.459 33.211 31.823 -0.118 0.000 1.003 2041 V HN 0.599 nan 8.190 nan 0.000 0.426 2042 L N 4.151 125.221 121.223 -0.255 0.000 2.275 2042 L HA 0.694 5.034 4.340 -0.000 0.000 0.288 2042 L C -0.124 176.652 176.870 -0.157 0.000 1.046 2042 L CA -0.320 54.377 54.840 -0.239 0.000 0.805 2042 L CB 1.506 43.389 42.059 -0.294 0.000 1.193 2042 L HN 0.598 nan 8.230 nan 0.000 0.426 2043 E N 2.017 122.133 120.200 -0.139 0.000 2.222 2043 E HA 0.542 4.892 4.350 -0.000 0.000 0.267 2043 E C -0.011 176.481 176.600 -0.180 0.000 0.884 2043 E CA -0.361 55.962 56.400 -0.128 0.000 0.764 2043 E CB 2.110 31.753 29.700 -0.095 0.000 1.169 2043 E HN 0.544 nan 8.360 nan 0.000 0.413 2044 A N 4.863 127.520 122.820 -0.271 0.000 1.975 2044 A HA 0.130 4.450 4.320 -0.000 0.000 0.215 2044 A C 0.897 178.197 177.584 -0.473 0.000 1.170 2044 A CA 0.542 52.284 52.037 -0.492 0.000 0.656 2044 A CB -0.124 18.271 19.000 -1.008 0.000 0.821 2044 A HN 0.573 nan 8.150 nan 0.000 0.449 2045 R N 0.262 120.561 120.500 -0.334 0.000 2.649 2045 R HA 0.256 4.596 4.340 -0.000 0.000 0.270 2045 R C 0.302 176.522 176.300 -0.133 0.000 1.105 2045 R CA 0.315 56.289 56.100 -0.210 0.000 1.193 2045 R CB 0.198 30.418 30.300 -0.134 0.000 1.120 2045 R HN 0.466 nan 8.270 nan 0.000 0.561 2046 D N -0.216 120.129 120.400 -0.092 0.000 2.349 2046 D HA -0.045 4.595 4.640 -0.000 0.000 0.224 2046 D C 0.309 176.588 176.300 -0.034 0.000 1.029 2046 D CA 0.236 54.204 54.000 -0.054 0.000 0.879 2046 D CB 0.117 40.898 40.800 -0.032 0.000 0.906 2046 D HN 0.449 nan 8.370 nan 0.000 0.528 2047 R N -1.943 118.530 120.500 -0.045 0.000 3.080 2047 R HA 0.762 5.102 4.340 -0.000 0.000 0.248 2047 R C -1.608 174.686 176.300 -0.009 0.000 1.324 2047 R CA -1.141 54.953 56.100 -0.010 0.000 1.036 2047 R CB 1.178 31.481 30.300 0.005 0.000 1.360 2047 R HN -0.076 nan 8.270 nan 0.000 0.479 2048 V N -1.198 118.733 119.914 0.028 0.000 3.078 2048 V HA 0.672 4.792 4.120 -0.000 0.000 0.311 2048 V C 0.138 176.280 176.094 0.079 0.000 1.138 2048 V CA 0.455 62.775 62.300 0.034 0.000 1.007 2048 V CB 1.641 33.478 31.823 0.023 0.000 1.045 2048 V HN 1.107 nan 8.190 nan 0.000 0.432 2049 G N 2.509 111.358 108.800 0.082 0.000 2.278 2049 G HA2 0.089 4.049 3.960 -0.000 0.000 0.210 2049 G HA3 0.089 4.049 3.960 -0.000 0.000 0.210 2049 G C 1.661 176.650 174.900 0.148 0.000 1.000 2049 G CA 0.865 46.039 45.100 0.124 0.000 0.635 2049 G HN 2.491 nan 8.290 nan 0.000 0.495 2050 G N 0.541 109.423 108.800 0.136 0.000 2.672 2050 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.324 2050 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.324 2050 G C 1.002 176.075 174.900 0.288 0.000 1.286 2050 G CA 1.605 46.809 45.100 0.174 0.000 1.004 2050 G HN 1.130 nan 8.290 nan 0.000 0.548 2051 R N 0.499 121.118 120.500 0.198 0.000 2.316 2051 R HA 0.020 4.360 4.340 -0.000 0.000 0.232 2051 R C 1.155 177.452 176.300 -0.005 0.000 1.137 2051 R CA 1.252 57.335 56.100 -0.030 0.000 1.012 2051 R CB -0.396 29.812 30.300 -0.153 0.000 0.859 2051 R HN 0.379 nan 8.270 nan 0.000 0.474 2052 T N -0.301 114.364 114.554 0.186 0.000 2.771 2052 T HA 0.286 4.636 4.350 -0.000 0.000 0.281 2052 T C -1.791 173.158 174.700 0.416 0.000 0.982 2052 T CA -0.379 61.862 62.100 0.234 0.000 0.978 2052 T CB 0.757 69.727 68.868 0.170 0.000 0.930 2052 T HN 0.112 nan 8.240 nan 0.000 0.447 2053 Y N 3.059 123.535 120.300 0.294 0.000 2.298 2053 Y HA 0.381 4.931 4.550 -0.000 0.000 0.322 2053 Y C -0.872 175.171 175.900 0.239 0.000 1.138 2053 Y CA -0.993 57.272 58.100 0.276 0.000 1.127 2053 Y CB 1.221 39.892 38.460 0.352 0.000 1.178 2053 Y HN 0.530 nan 8.280 nan 0.000 0.428 2054 T N 6.356 120.925 114.554 0.025 0.000 2.738 2054 T HA 0.426 4.776 4.350 -0.000 0.000 0.298 2054 T C -0.404 174.126 174.700 -0.282 0.000 0.962 2054 T CA -0.402 61.661 62.100 -0.060 0.000 0.972 2054 T CB 0.581 69.516 68.868 0.113 0.000 0.928 2054 T HN 0.406 nan 8.240 nan 0.000 0.474 2055 V N 5.580 125.275 119.914 -0.366 0.000 2.530 2055 V HA 0.355 4.475 4.120 -0.000 0.000 0.282 2055 V C 0.552 176.613 176.094 -0.056 0.000 1.048 2055 V CA -0.328 61.788 62.300 -0.307 0.000 0.997 2055 V CB 0.560 32.229 31.823 -0.256 0.000 0.987 2055 V HN 0.715 nan 8.190 nan 0.000 0.477 2056 R N 4.213 124.704 120.500 -0.015 0.000 2.513 2056 R HA 0.609 4.949 4.340 -0.000 0.000 0.301 2056 R C -0.918 175.396 176.300 0.023 0.000 0.968 2056 R CA -0.669 55.456 56.100 0.041 0.000 0.872 2056 R CB 1.872 32.211 30.300 0.065 0.000 1.177 2056 R HN 0.988 nan 8.270 nan 0.000 0.444 2057 N N -0.183 118.522 118.700 0.009 0.000 2.927 2057 N HA 0.098 4.838 4.740 -0.000 0.000 0.248 2057 N C -0.307 175.164 175.510 -0.065 0.000 1.443 2057 N CA -0.829 52.211 53.050 -0.017 0.000 0.870 2057 N CB 0.716 39.203 38.487 -0.001 0.000 1.444 2057 N HN 0.172 nan 8.380 nan 0.000 0.519 2058 E N -0.869 119.256 120.200 -0.125 0.000 2.153 2058 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 2058 E C 0.891 177.336 176.600 -0.258 0.000 0.988 2058 E CA 1.222 57.509 56.400 -0.189 0.000 0.811 2058 E CB -0.314 29.240 29.700 -0.243 0.000 0.746 2058 E HN 0.525 nan 8.360 nan 0.000 0.466 2059 H N -1.046 117.858 119.070 -0.277 0.000 2.489 2059 H HA -0.020 4.536 4.556 -0.000 0.000 0.293 2059 H C 1.562 176.641 175.328 -0.416 0.000 1.066 2059 H CA 1.620 57.410 56.048 -0.430 0.000 1.305 2059 H CB 0.413 29.624 29.762 -0.919 0.000 1.386 2059 H HN 0.206 nan 8.280 nan 0.000 0.551 2060 V N -4.201 115.585 119.914 -0.212 0.000 3.432 2060 V HA 0.255 4.375 4.120 -0.000 0.000 0.290 2060 V C 1.027 177.033 176.094 -0.147 0.000 1.591 2060 V CA -0.292 61.855 62.300 -0.255 0.000 1.069 2060 V CB 1.235 32.878 31.823 -0.300 0.000 0.892 2060 V HN -0.032 nan 8.190 nan 0.000 0.436 2061 K N 0.563 120.925 120.400 -0.065 0.000 11.134 2061 K HA -0.212 4.108 4.320 -0.000 0.000 0.527 2061 K C 0.252 176.957 176.600 0.174 0.000 0.391 2061 K CA 2.840 59.159 56.287 0.054 0.000 1.928 2061 K CB -1.689 30.864 32.500 0.088 0.000 0.781 2061 K HN 1.048 nan 8.250 nan 0.000 1.243 2062 W N 0.658 121.961 121.300 0.005 0.000 3.274 2062 W HA 0.593 5.253 4.660 -0.000 0.000 0.327 2062 W C -0.851 175.697 176.519 0.048 0.000 1.172 2062 W CA -0.874 56.478 57.345 0.013 0.000 1.217 2062 W CB 0.776 30.246 29.460 0.016 0.000 1.376 2062 W HN 0.244 nan 8.180 nan 0.000 0.507 2063 V N -0.199 119.812 119.914 0.161 0.000 2.777 2063 V HA 0.354 4.474 4.120 -0.000 0.000 0.306 2063 V C -0.955 175.222 176.094 0.138 0.000 1.112 2063 V CA -0.697 61.640 62.300 0.063 0.000 0.917 2063 V CB 1.992 33.843 31.823 0.046 0.000 1.018 2063 V HN 0.499 nan 8.190 nan 0.000 0.426 2064 D N 2.902 123.404 120.400 0.169 0.000 2.352 2064 D HA 0.265 4.905 4.640 -0.000 0.000 0.245 2064 D C 0.603 176.999 176.300 0.161 0.000 1.224 2064 D CA 0.296 54.399 54.000 0.173 0.000 0.879 2064 D CB 1.988 42.882 40.800 0.156 0.000 1.057 2064 D HN 0.492 nan 8.370 nan 0.000 0.491 2065 V N 2.595 122.624 119.914 0.191 0.000 3.649 2065 V HA 0.237 4.357 4.120 -0.000 0.000 0.275 2065 V C 1.047 177.488 176.094 0.579 0.000 1.281 2065 V CA 0.974 63.446 62.300 0.286 0.000 1.143 2065 V CB 0.238 32.163 31.823 0.171 0.000 0.892 2065 V HN 0.583 nan 8.190 nan 0.000 0.441 2066 G N -0.846 108.259 108.800 0.509 0.000 3.377 2066 G HA2 0.473 4.433 3.960 -0.000 0.000 0.182 2066 G HA3 0.473 4.433 3.960 -0.000 0.000 0.182 2066 G C 0.423 175.419 174.900 0.160 0.000 1.166 2066 G CA 0.027 45.373 45.100 0.410 0.000 0.771 2066 G HN 0.466 nan 8.290 nan 0.000 0.701 2067 G N -0.697 108.136 108.800 0.054 0.000 2.432 2067 G HA2 0.534 4.494 3.960 -0.000 0.000 0.239 2067 G HA3 0.534 4.494 3.960 -0.000 0.000 0.239 2067 G C 0.469 175.399 174.900 0.051 0.000 1.291 2067 G CA 1.093 46.209 45.100 0.026 0.000 0.863 2067 G HN 1.432 nan 8.290 nan 0.000 0.560 2068 A N 1.547 124.345 122.820 -0.036 0.000 1.660 2068 A HA 0.384 4.704 4.320 -0.000 0.000 0.204 2068 A C 0.052 177.362 177.584 -0.457 0.000 1.880 2068 A CA -0.140 51.763 52.037 -0.224 0.000 1.437 2068 A CB 0.023 18.791 19.000 -0.387 0.000 1.444 2068 A HN 0.562 nan 8.150 nan 0.000 0.360 2069 Y N 0.809 121.015 120.300 -0.158 0.000 2.299 2069 Y HA 0.488 5.038 4.550 -0.000 0.000 0.326 2069 Y C 0.475 176.197 175.900 -0.296 0.000 1.164 2069 Y CA -0.249 57.702 58.100 -0.248 0.000 1.234 2069 Y CB 1.318 39.672 38.460 -0.176 0.000 1.219 2069 Y HN 0.360 nan 8.280 nan 0.000 0.497 2070 V N -0.505 119.251 119.914 -0.264 0.000 3.102 2070 V HA 1.111 5.231 4.120 -0.000 0.000 0.312 2070 V C -0.318 175.592 176.094 -0.307 0.000 1.135 2070 V CA -0.538 61.558 62.300 -0.340 0.000 1.022 2070 V CB 1.728 33.271 31.823 -0.468 0.000 1.056 2070 V HN 0.960 nan 8.190 nan 0.000 0.436 2071 G N 0.250 108.827 108.800 -0.372 0.000 2.663 2071 G HA2 0.638 4.598 3.960 -0.000 0.000 0.299 2071 G HA3 0.638 4.598 3.960 -0.000 0.000 0.299 2071 G C -2.698 172.052 174.900 -0.250 0.000 1.372 2071 G CA -0.683 44.244 45.100 -0.289 0.000 0.781 2071 G HN 0.524 nan 8.290 nan 0.000 0.491 2072 P HA -0.243 nan 4.420 nan 0.000 0.224 2072 P C 1.928 179.192 177.300 -0.060 0.000 1.153 2072 P CA 3.405 66.458 63.100 -0.078 0.000 0.947 2072 P CB 0.088 31.767 31.700 -0.035 0.000 0.790 2073 T N -5.227 109.309 114.554 -0.031 0.000 3.086 2073 T HA 0.088 4.438 4.350 -0.000 0.000 0.250 2073 T C 0.999 175.682 174.700 -0.029 0.000 1.074 2073 T CA -0.013 62.124 62.100 0.062 0.000 0.988 2073 T CB -0.615 68.410 68.868 0.262 0.000 0.988 2073 T HN 0.172 nan 8.240 nan 0.000 0.530 2074 Q N 1.592 121.197 119.800 -0.326 0.000 2.380 2074 Q HA 0.196 4.536 4.340 -0.000 0.000 0.254 2074 Q C 0.973 176.877 176.000 -0.159 0.000 0.927 2074 Q CA -0.495 55.050 55.803 -0.431 0.000 0.950 2074 Q CB -0.167 28.167 28.738 -0.673 0.000 1.206 2074 Q HN 0.479 nan 8.270 nan 0.000 0.414 2075 N N 1.286 119.950 118.700 -0.060 0.000 2.069 2075 N HA -0.241 4.499 4.740 -0.000 0.000 0.196 2075 N C 1.350 176.863 175.510 0.004 0.000 1.024 2075 N CA 1.501 54.543 53.050 -0.013 0.000 0.869 2075 N CB -0.083 38.414 38.487 0.016 0.000 1.035 2075 N HN 0.394 nan 8.380 nan 0.000 0.434 2076 R N 0.399 120.910 120.500 0.017 0.000 2.094 2076 R HA -0.106 4.234 4.340 -0.000 0.000 0.239 2076 R C 2.290 178.607 176.300 0.028 0.000 1.137 2076 R CA 1.221 57.339 56.100 0.030 0.000 0.943 2076 R CB -0.517 29.813 30.300 0.049 0.000 0.850 2076 R HN 0.188 nan 8.270 nan 0.000 0.433 2077 I N 0.891 121.476 120.570 0.026 0.000 2.252 2077 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 2077 I C 1.836 178.010 176.117 0.096 0.000 1.102 2077 I CA 1.383 62.723 61.300 0.066 0.000 1.385 2077 I CB -0.144 37.911 38.000 0.091 0.000 1.064 2077 I HN 0.113 nan 8.210 nan 0.000 0.414 2078 L N 0.272 121.542 121.223 0.077 0.000 1.990 2078 L HA -0.271 4.069 4.340 -0.000 0.000 0.213 2078 L C 2.806 179.708 176.870 0.055 0.000 1.072 2078 L CA 1.938 56.835 54.840 0.096 0.000 0.755 2078 L CB -0.882 41.199 42.059 0.037 0.000 0.889 2078 L HN 0.284 nan 8.230 nan 0.000 0.432 2079 R N 0.453 120.970 120.500 0.029 0.000 2.082 2079 R HA -0.242 4.098 4.340 -0.000 0.000 0.234 2079 R C 2.376 178.676 176.300 0.000 0.000 1.136 2079 R CA 2.158 58.267 56.100 0.014 0.000 0.935 2079 R CB -0.572 29.737 30.300 0.015 0.000 0.842 2079 R HN 0.241 nan 8.270 nan 0.000 0.430 2080 L N 0.988 122.210 121.223 -0.002 0.000 2.083 2080 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 2080 L C 2.466 179.297 176.870 -0.066 0.000 1.083 2080 L CA 2.338 57.164 54.840 -0.024 0.000 0.752 2080 L CB -0.841 41.209 42.059 -0.016 0.000 0.899 2080 L HN 0.246 nan 8.230 nan 0.000 0.433 2081 S N -0.754 114.897 115.700 -0.082 0.000 2.353 2081 S HA -0.281 4.189 4.470 -0.000 0.000 0.222 2081 S C 2.187 176.699 174.600 -0.147 0.000 1.035 2081 S CA 1.779 59.853 58.200 -0.209 0.000 1.025 2081 S CB -0.340 62.737 63.200 -0.205 0.000 0.902 2081 S HN 0.486 nan 8.310 nan 0.000 0.440 2082 K N 1.414 121.780 120.400 -0.057 0.000 2.009 2082 K HA -0.089 4.231 4.320 -0.000 0.000 0.210 2082 K C 2.176 178.749 176.600 -0.046 0.000 1.049 2082 K CA 2.212 58.478 56.287 -0.036 0.000 0.929 2082 K CB -0.791 31.707 32.500 -0.004 0.000 0.714 2082 K HN 0.610 nan 8.250 nan 0.000 0.440 2083 E N -0.464 119.713 120.200 -0.038 0.000 2.187 2083 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 2083 E C 1.124 177.694 176.600 -0.049 0.000 1.004 2083 E CA 1.250 57.629 56.400 -0.035 0.000 0.813 2083 E CB -0.069 29.616 29.700 -0.026 0.000 0.736 2083 E HN 0.167 nan 8.360 nan 0.000 0.468 2084 L N 0.169 121.348 121.223 -0.074 0.000 2.599 2084 L HA 0.207 4.547 4.340 -0.000 0.000 0.230 2084 L C 1.129 177.943 176.870 -0.093 0.000 1.141 2084 L CA 1.183 55.971 54.840 -0.086 0.000 0.877 2084 L CB -0.045 41.944 42.059 -0.117 0.000 1.009 2084 L HN 0.323 nan 8.230 nan 0.000 0.447 2085 G N 0.594 109.345 108.800 -0.081 0.000 2.298 2085 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.287 2085 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.287 2085 G C 0.114 174.955 174.900 -0.100 0.000 1.075 2085 G CA 0.194 45.250 45.100 -0.074 0.000 0.960 2085 G HN 0.296 nan 8.290 nan 0.000 0.502 2086 I N -0.115 120.378 120.570 -0.129 0.000 2.436 2086 I HA 0.377 4.547 4.170 -0.000 0.000 0.289 2086 I C 0.385 176.458 176.117 -0.073 0.000 1.010 2086 I CA -0.809 60.389 61.300 -0.170 0.000 1.098 2086 I CB 1.711 39.497 38.000 -0.357 0.000 1.266 2086 I HN 0.146 nan 8.210 nan 0.000 0.434 2087 E N 3.326 123.524 120.200 -0.003 0.000 2.283 2087 E HA 0.418 4.768 4.350 -0.000 0.000 0.267 2087 E C -0.388 176.363 176.600 0.251 0.000 1.045 2087 E CA -0.570 55.889 56.400 0.098 0.000 0.884 2087 E CB 1.778 31.519 29.700 0.069 0.000 1.106 2087 E HN 0.628 nan 8.360 nan 0.000 0.408 2088 T N -0.746 113.948 114.554 0.234 0.000 2.918 2088 T HA 0.557 4.907 4.350 -0.000 0.000 0.286 2088 T C -0.933 173.894 174.700 0.211 0.000 1.026 2088 T CA -0.829 61.395 62.100 0.206 0.000 1.031 2088 T CB 0.654 69.573 68.868 0.087 0.000 1.046 2088 T HN 0.509 nan 8.240 nan 0.000 0.479 2089 Y N -0.423 119.909 120.300 0.053 0.000 2.421 2089 Y HA 0.639 5.189 4.550 -0.000 0.000 0.339 2089 Y C -0.449 175.472 175.900 0.034 0.000 0.996 2089 Y CA -1.421 56.713 58.100 0.056 0.000 1.046 2089 Y CB 1.324 39.843 38.460 0.098 0.000 1.226 2089 Y HN 0.691 nan 8.280 nan 0.000 0.445 2090 K N 3.272 123.722 120.400 0.083 0.000 2.485 2090 K HA 0.249 4.569 4.320 -0.000 0.000 0.277 2090 K C -0.544 176.060 176.600 0.007 0.000 0.990 2090 K CA -0.281 56.003 56.287 -0.006 0.000 0.994 2090 K CB 0.899 33.423 32.500 0.040 0.000 0.906 2090 K HN 0.602 nan 8.250 nan 0.000 0.488 2091 V N 3.438 123.317 119.914 -0.059 0.000 2.583 2091 V HA -0.023 4.097 4.120 -0.000 0.000 0.287 2091 V C 0.695 176.816 176.094 0.044 0.000 1.051 2091 V CA -0.744 61.556 62.300 -0.001 0.000 1.010 2091 V CB 0.996 32.814 31.823 -0.009 0.000 0.988 2091 V HN 0.748 nan 8.190 nan 0.000 0.478 2092 N N 3.543 122.295 118.700 0.086 0.000 2.468 2092 N HA 0.083 4.823 4.740 -0.000 0.000 0.265 2092 N C -0.154 175.373 175.510 0.028 0.000 1.199 2092 N CA 0.327 53.419 53.050 0.071 0.000 0.928 2092 N CB 1.432 39.981 38.487 0.103 0.000 1.059 2092 N HN 0.471 nan 8.380 nan 0.000 0.467 2093 V N 3.570 123.495 119.914 0.017 0.000 3.486 2093 V HA 0.087 4.207 4.120 -0.000 0.000 0.335 2093 V C 1.417 177.510 176.094 -0.001 0.000 1.506 2093 V CA -0.534 61.760 62.300 -0.011 0.000 1.206 2093 V CB 0.008 31.812 31.823 -0.033 0.000 1.049 2093 V HN 0.634 nan 8.190 nan 0.000 0.502 2094 N N 1.197 119.908 118.700 0.019 0.000 2.120 2094 N HA -0.085 4.655 4.740 -0.000 0.000 0.188 2094 N C 1.028 176.550 175.510 0.021 0.000 1.024 2094 N CA 1.145 54.207 53.050 0.020 0.000 0.852 2094 N CB 0.336 38.838 38.487 0.025 0.000 1.003 2094 N HN 0.591 nan 8.380 nan 0.000 0.424 2095 E N 1.207 121.429 120.200 0.036 0.000 3.638 2095 E HA 0.146 4.496 4.350 -0.000 0.000 0.289 2095 E C 0.472 177.091 176.600 0.031 0.000 1.464 2095 E CA -0.112 56.322 56.400 0.055 0.000 1.396 2095 E CB 0.389 30.156 29.700 0.111 0.000 1.303 2095 E HN 0.093 nan 8.360 nan 0.000 0.785 2096 R N -0.151 120.396 120.500 0.078 0.000 2.500 2096 R HA 0.468 4.808 4.340 -0.000 0.000 0.277 2096 R C 0.135 176.360 176.300 -0.124 0.000 1.026 2096 R CA -0.526 55.578 56.100 0.005 0.000 1.058 2096 R CB 0.668 31.053 30.300 0.141 0.000 1.078 2096 R HN 0.263 nan 8.270 nan 0.000 0.509 2097 L N 1.598 122.567 121.223 -0.423 0.000 2.400 2097 L HA 0.631 4.971 4.340 -0.000 0.000 0.264 2097 L C -0.074 176.499 176.870 -0.495 0.000 1.061 2097 L CA -1.068 53.412 54.840 -0.601 0.000 0.799 2097 L CB 1.472 42.835 42.059 -1.161 0.000 1.240 2097 L HN 0.408 nan 8.230 nan 0.000 0.461 2098 V N -0.763 119.070 119.914 -0.135 0.000 2.888 2098 V HA 0.500 4.620 4.120 -0.000 0.000 0.309 2098 V C -0.970 175.379 176.094 0.425 0.000 1.114 2098 V CA -0.761 61.631 62.300 0.154 0.000 0.940 2098 V CB 1.654 33.373 31.823 -0.173 0.000 1.021 2098 V HN 0.898 nan 8.190 nan 0.000 0.426 2099 Q N 3.026 123.101 119.800 0.459 0.000 2.322 2099 Q HA 0.528 4.868 4.340 -0.000 0.000 0.265 2099 Q C -2.122 174.075 176.000 0.329 0.000 0.985 2099 Q CA -0.752 55.245 55.803 0.323 0.000 0.849 2099 Q CB 2.077 30.887 28.738 0.122 0.000 1.274 2099 Q HN 0.953 nan 8.270 nan 0.000 0.449 2100 Y N 4.644 125.042 120.300 0.162 0.000 2.491 2100 Y HA 0.488 5.038 4.550 -0.000 0.000 0.334 2100 Y C -1.583 174.391 175.900 0.122 0.000 0.969 2100 Y CA -0.446 57.755 58.100 0.167 0.000 1.241 2100 Y CB 0.808 39.339 38.460 0.118 0.000 1.105 2100 Y HN 0.458 nan 8.280 nan 0.000 0.503 2101 V N 6.749 126.530 119.914 -0.220 0.000 2.715 2101 V HA 0.266 4.386 4.120 -0.000 0.000 0.310 2101 V C 0.880 176.810 176.094 -0.273 0.000 1.054 2101 V CA -1.235 60.939 62.300 -0.210 0.000 0.928 2101 V CB 1.872 33.572 31.823 -0.205 0.000 1.007 2101 V HN 0.882 nan 8.190 nan 0.000 0.437 2102 K N 2.061 122.361 120.400 -0.168 0.000 2.316 2102 K HA -0.371 3.949 4.320 -0.000 0.000 0.197 2102 K C 1.523 178.041 176.600 -0.136 0.000 0.736 2102 K CA 2.462 58.687 56.287 -0.103 0.000 1.105 2102 K CB -1.234 31.241 32.500 -0.042 0.000 1.063 2102 K HN 0.980 nan 8.250 nan 0.000 0.624 2103 G N 0.890 109.655 108.800 -0.059 0.000 2.645 2103 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.179 2103 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.179 2103 G C 0.773 175.585 174.900 -0.146 0.000 1.515 2103 G CA 1.075 46.164 45.100 -0.018 0.000 0.852 2103 G HN 0.309 nan 8.290 nan 0.000 0.481 2104 K N -2.147 118.196 120.400 -0.095 0.000 1.776 2104 K HA 0.439 4.759 4.320 -0.000 0.000 0.262 2104 K C -0.506 176.036 176.600 -0.095 0.000 0.971 2104 K CA -0.553 55.647 56.287 -0.145 0.000 0.943 2104 K CB 0.851 33.326 32.500 -0.042 0.000 2.334 2104 K HN 0.308 nan 8.250 nan 0.000 0.894 2105 T N 0.537 115.101 114.554 0.018 0.000 2.889 2105 T HA 0.401 4.751 4.350 -0.000 0.000 0.291 2105 T C -1.474 173.162 174.700 -0.107 0.000 0.995 2105 T CA -0.242 61.938 62.100 0.133 0.000 1.092 2105 T CB 0.067 69.038 68.868 0.172 0.000 0.954 2105 T HN 0.232 nan 8.240 nan 0.000 0.506 2106 Y N 4.720 125.080 120.300 0.100 0.000 2.349 2106 Y HA 0.403 4.953 4.550 -0.000 0.000 0.324 2106 Y C -2.246 173.762 175.900 0.181 0.000 1.005 2106 Y CA -2.651 55.517 58.100 0.113 0.000 1.240 2106 Y CB 1.318 39.814 38.460 0.060 0.000 1.117 2106 Y HN 0.548 nan 8.280 nan 0.000 0.463 2107 P HA 0.271 nan 4.420 nan 0.000 0.270 2107 P C -0.884 176.628 177.300 0.353 0.000 1.223 2107 P CA 0.108 63.356 63.100 0.246 0.000 0.785 2107 P CB 0.592 32.448 31.700 0.260 0.000 0.923 2108 F N -1.612 118.387 119.950 0.082 0.000 2.799 2108 F HA 0.715 5.242 4.527 -0.000 0.000 0.316 2108 F C -1.660 174.177 175.800 0.061 0.000 1.155 2108 F CA -1.237 56.795 58.000 0.054 0.000 0.916 2108 F CB 1.229 40.244 39.000 0.025 0.000 1.294 2108 F HN 0.074 nan 8.300 nan 0.000 0.447 2109 R N 1.312 121.895 120.500 0.139 0.000 2.686 2109 R HA 0.821 5.161 4.340 -0.000 0.000 0.283 2109 R C -0.165 176.258 176.300 0.205 0.000 0.978 2109 R CA 0.102 56.211 56.100 0.014 0.000 0.897 2109 R CB 2.087 32.411 30.300 0.039 0.000 1.192 2109 R HN 1.834 nan 8.270 nan 0.000 0.457 2110 G N 0.782 109.667 108.800 0.142 0.000 2.331 2110 G HA2 0.187 4.147 3.960 -0.000 0.000 0.479 2110 G HA3 0.187 4.147 3.960 -0.000 0.000 0.479 2110 G C -0.091 174.950 174.900 0.235 0.000 1.262 2110 G CA -0.243 44.977 45.100 0.199 0.000 1.029 2110 G HN 0.771 nan 8.290 nan 0.000 0.487 2111 A N -0.396 122.547 122.820 0.205 0.000 1.839 2111 A HA 0.621 4.941 4.320 -0.000 0.000 0.213 2111 A C 1.011 178.700 177.584 0.176 0.000 1.274 2111 A CA 1.597 53.709 52.037 0.126 0.000 0.608 2111 A CB -0.666 18.378 19.000 0.074 0.000 0.920 2111 A HN 0.980 nan 8.150 nan 0.000 0.465 2112 F N 0.086 120.088 119.950 0.087 0.000 2.370 2112 F HA 0.462 4.989 4.527 -0.000 0.000 0.319 2112 F C -1.924 173.840 175.800 -0.059 0.000 1.129 2112 F CA -2.131 55.860 58.000 -0.016 0.000 1.109 2112 F CB 0.148 38.984 39.000 -0.273 0.000 1.262 2112 F HN 0.064 nan 8.300 nan 0.000 0.534 2113 P HA 0.144 nan 4.420 nan 0.000 0.273 2113 P C -2.592 174.419 177.300 -0.481 0.000 1.250 2113 P CA -0.819 61.716 63.100 -0.942 0.000 0.793 2113 P CB 0.047 31.336 31.700 -0.685 0.000 1.011 2114 P HA 0.196 nan 4.420 nan 0.000 0.293 2114 P C -1.392 175.531 177.300 -0.629 0.000 1.291 2114 P CA -0.485 62.294 63.100 -0.535 0.000 0.867 2114 P CB 1.283 32.582 31.700 -0.669 0.000 1.074 2115 V N -0.383 119.208 119.914 -0.539 0.000 2.409 2115 V HA 0.396 4.516 4.120 -0.000 0.000 0.291 2115 V C 0.462 176.537 176.094 -0.033 0.000 1.020 2115 V CA -0.571 61.495 62.300 -0.389 0.000 0.848 2115 V CB 1.531 33.032 31.823 -0.536 0.000 0.990 2115 V HN 0.679 nan 8.190 nan 0.000 0.430 2116 W N 1.512 122.719 121.300 -0.155 0.000 2.812 2116 W HA 0.195 4.855 4.660 -0.000 0.000 0.263 2116 W C 1.387 177.840 176.519 -0.110 0.000 1.284 2116 W CA -0.517 56.744 57.345 -0.140 0.000 1.430 2116 W CB 0.553 29.952 29.460 -0.101 0.000 1.088 2116 W HN 0.722 nan 8.180 nan 0.000 0.623 2117 N N 1.764 120.560 118.700 0.159 0.000 2.452 2117 N HA -0.002 4.738 4.740 -0.000 0.000 0.266 2117 N C -1.875 173.689 175.510 0.089 0.000 1.175 2117 N CA -0.829 52.266 53.050 0.075 0.000 0.945 2117 N CB 1.429 39.938 38.487 0.037 0.000 1.063 2117 N HN -0.144 nan 8.380 nan 0.000 0.472 2118 P HA -0.185 nan 4.420 nan 0.000 0.214 2118 P C 1.705 179.059 177.300 0.090 0.000 1.169 2118 P CA 1.307 64.445 63.100 0.064 0.000 0.908 2118 P CB 0.260 31.959 31.700 -0.001 0.000 0.791 2119 L N -1.293 119.950 121.223 0.033 0.000 1.990 2119 L HA -0.267 4.073 4.340 -0.000 0.000 0.213 2119 L C 2.504 179.385 176.870 0.017 0.000 1.072 2119 L CA 1.913 56.757 54.840 0.006 0.000 0.755 2119 L CB -1.290 40.763 42.059 -0.009 0.000 0.889 2119 L HN -0.025 nan 8.230 nan 0.000 0.432 2120 A N -0.618 122.219 122.820 0.028 0.000 1.859 2120 A HA -0.345 3.975 4.320 -0.000 0.000 0.217 2120 A C 2.166 179.763 177.584 0.022 0.000 1.198 2120 A CA 2.094 54.136 52.037 0.008 0.000 0.629 2120 A CB -1.267 17.722 19.000 -0.018 0.000 0.830 2120 A HN 0.485 nan 8.150 nan 0.000 0.446 2121 Y N 0.504 120.770 120.300 -0.056 0.000 2.096 2121 Y HA -0.289 4.261 4.550 -0.000 0.000 0.278 2121 Y C 2.086 177.989 175.900 0.005 0.000 1.192 2121 Y CA 2.145 60.231 58.100 -0.024 0.000 1.143 2121 Y CB -0.472 38.004 38.460 0.027 0.000 0.963 2121 Y HN 0.258 nan 8.280 nan 0.000 0.505 2122 L N -0.582 120.617 121.223 -0.041 0.000 2.017 2122 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 2122 L C 2.315 179.072 176.870 -0.189 0.000 1.073 2122 L CA 1.782 56.533 54.840 -0.148 0.000 0.745 2122 L CB -0.706 41.304 42.059 -0.082 0.000 0.894 2122 L HN 0.187 nan 8.230 nan 0.000 0.432 2123 D N -0.821 119.504 120.400 -0.126 0.000 2.092 2123 D HA -0.273 4.367 4.640 -0.000 0.000 0.193 2123 D C 2.022 178.189 176.300 -0.222 0.000 0.994 2123 D CA 1.320 55.244 54.000 -0.126 0.000 0.828 2123 D CB -0.147 40.630 40.800 -0.039 0.000 0.963 2123 D HN 0.259 nan 8.370 nan 0.000 0.450 2124 Y N 1.200 121.273 120.300 -0.377 0.000 2.081 2124 Y HA -0.314 4.236 4.550 -0.000 0.000 0.280 2124 Y C 2.171 177.670 175.900 -0.669 0.000 1.163 2124 Y CA 2.517 60.290 58.100 -0.546 0.000 1.135 2124 Y CB -0.872 37.335 38.460 -0.421 0.000 0.970 2124 Y HN 0.029 nan 8.280 nan 0.000 0.498 2125 N N 0.349 118.808 118.700 -0.401 0.000 2.043 2125 N HA -0.274 4.466 4.740 -0.000 0.000 0.193 2125 N C 1.728 176.985 175.510 -0.422 0.000 1.037 2125 N CA 1.824 54.614 53.050 -0.434 0.000 0.851 2125 N CB -0.756 37.449 38.487 -0.470 0.000 1.027 2125 N HN 0.476 nan 8.380 nan 0.000 0.422 2126 N N -0.177 118.305 118.700 -0.363 0.000 2.091 2126 N HA -0.189 4.551 4.740 -0.000 0.000 0.193 2126 N C 1.569 176.862 175.510 -0.361 0.000 1.021 2126 N CA 1.245 54.118 53.050 -0.296 0.000 0.862 2126 N CB -0.549 37.802 38.487 -0.225 0.000 1.018 2126 N HN 0.369 nan 8.380 nan 0.000 0.429 2127 L N 0.039 120.931 121.223 -0.553 0.000 1.929 2127 L HA -0.152 4.188 4.340 -0.000 0.000 0.229 2127 L C 1.807 178.294 176.870 -0.638 0.000 1.086 2127 L CA 2.198 56.600 54.840 -0.729 0.000 0.798 2127 L CB -1.447 39.852 42.059 -1.266 0.000 0.898 2127 L HN 0.429 nan 8.230 nan 0.000 0.436 2128 W N -0.164 120.815 121.300 -0.535 0.000 2.277 2128 W HA -0.344 4.316 4.660 -0.000 0.000 0.327 2128 W C 2.878 179.220 176.519 -0.295 0.000 1.284 2128 W CA 1.688 58.728 57.345 -0.509 0.000 1.277 2128 W CB -0.723 28.305 29.460 -0.721 0.000 1.141 2128 W HN 0.265 nan 8.180 nan 0.000 0.482 2129 R N 0.106 120.564 120.500 -0.070 0.000 2.096 2129 R HA -0.178 4.162 4.340 -0.000 0.000 0.240 2129 R C 2.063 178.325 176.300 -0.064 0.000 1.139 2129 R CA 2.382 58.449 56.100 -0.056 0.000 0.952 2129 R CB -0.817 29.399 30.300 -0.140 0.000 0.854 2129 R HN 0.102 nan 8.270 nan 0.000 0.436 2130 T N 1.015 115.495 114.554 -0.123 0.000 2.708 2130 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 2130 T C 1.831 176.476 174.700 -0.091 0.000 1.037 2130 T CA 1.680 63.715 62.100 -0.108 0.000 1.146 2130 T CB -0.116 68.665 68.868 -0.144 0.000 0.865 2130 T HN 0.259 nan 8.240 nan 0.000 0.435 2131 M N 0.946 120.488 119.600 -0.097 0.000 2.149 2131 M HA -0.137 4.343 4.480 -0.000 0.000 0.261 2131 M C 1.838 178.128 176.300 -0.016 0.000 1.064 2131 M CA 1.465 56.735 55.300 -0.050 0.000 1.102 2131 M CB -0.317 32.296 32.600 0.022 0.000 1.369 2131 M HN 0.165 nan 8.290 nan 0.000 0.408 2132 D N -0.251 120.151 120.400 0.004 0.000 2.194 2132 D HA -0.104 4.536 4.640 -0.000 0.000 0.204 2132 D C 1.779 178.090 176.300 0.018 0.000 0.964 2132 D CA 1.033 55.040 54.000 0.012 0.000 0.846 2132 D CB -0.194 40.629 40.800 0.039 0.000 0.962 2132 D HN 0.484 nan 8.370 nan 0.000 0.490 2133 E N 0.371 120.582 120.200 0.018 0.000 2.051 2133 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 2133 E C 2.211 178.857 176.600 0.076 0.000 0.991 2133 E CA 0.768 57.191 56.400 0.038 0.000 0.799 2133 E CB -0.038 29.675 29.700 0.022 0.000 0.748 2133 E HN 0.251 nan 8.360 nan 0.000 0.449 2134 M N 0.137 119.765 119.600 0.047 0.000 2.175 2134 M HA -0.075 4.405 4.480 -0.000 0.000 0.264 2134 M C 2.431 178.835 176.300 0.173 0.000 1.063 2134 M CA 1.451 56.813 55.300 0.103 0.000 1.119 2134 M CB -0.363 32.070 32.600 -0.278 0.000 1.377 2134 M HN 0.187 nan 8.290 nan 0.000 0.415 2135 G N 0.595 109.434 108.800 0.064 0.000 2.446 2135 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 2135 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 2135 G C 1.568 176.512 174.900 0.072 0.000 1.168 2135 G CA 0.751 45.887 45.100 0.061 0.000 0.771 2135 G HN 0.381 nan 8.290 nan 0.000 0.551 2136 K N 0.196 120.627 120.400 0.052 0.000 2.286 2136 K HA -0.146 4.173 4.320 -0.000 0.000 0.203 2136 K C 2.206 178.840 176.600 0.058 0.000 1.045 2136 K CA 1.223 57.531 56.287 0.036 0.000 0.935 2136 K CB -0.045 32.474 32.500 0.033 0.000 0.737 2136 K HN 0.510 nan 8.250 nan 0.000 0.460 2137 E N 0.596 120.870 120.200 0.123 0.000 2.481 2137 E HA -0.009 4.341 4.350 -0.000 0.000 0.195 2137 E C -0.222 176.431 176.600 0.088 0.000 1.047 2137 E CA 0.004 56.475 56.400 0.117 0.000 0.867 2137 E CB 0.328 30.157 29.700 0.215 0.000 0.858 2137 E HN 0.195 nan 8.360 nan 0.000 0.513 2138 I N 2.182 122.823 120.570 0.119 0.000 2.359 2138 I HA 0.256 4.426 4.170 -0.000 0.000 0.294 2138 I C -2.293 173.842 176.117 0.030 0.000 0.987 2138 I CA -2.643 58.715 61.300 0.097 0.000 1.225 2138 I CB 1.574 39.703 38.000 0.215 0.000 1.366 2138 I HN -0.177 nan 8.210 nan 0.000 0.466 2139 P HA 0.054 nan 4.420 nan 0.000 0.274 2139 P C 1.097 178.363 177.300 -0.057 0.000 1.291 2139 P CA -0.217 62.812 63.100 -0.118 0.000 0.815 2139 P CB 0.634 32.186 31.700 -0.247 0.000 0.897 2140 V N 2.884 122.818 119.914 0.034 0.000 2.313 2140 V HA -0.313 3.807 4.120 -0.000 0.000 0.253 2140 V C 1.791 178.018 176.094 0.221 0.000 1.070 2140 V CA 2.443 64.849 62.300 0.175 0.000 1.057 2140 V CB -1.152 30.683 31.823 0.020 0.000 0.653 2140 V HN 0.553 nan 8.190 nan 0.000 0.450 2141 D N 0.628 121.016 120.400 -0.021 0.000 2.340 2141 D HA 0.250 4.890 4.640 -0.000 0.000 0.220 2141 D C 0.826 176.933 176.300 -0.322 0.000 1.039 2141 D CA 0.981 54.935 54.000 -0.076 0.000 0.866 2141 D CB 0.512 41.209 40.800 -0.171 0.000 0.913 2141 D HN 0.591 nan 8.370 nan 0.000 0.523 2142 A N 0.988 123.437 122.820 -0.619 0.000 3.399 2142 A HA 0.426 4.746 4.320 -0.000 0.000 0.262 2142 A C -2.236 174.524 177.584 -1.374 0.000 1.145 2142 A CA -0.839 50.269 52.037 -1.549 0.000 0.916 2142 A CB 1.026 19.270 19.000 -1.260 0.000 1.360 2142 A HN -0.171 nan 8.150 nan 0.000 0.628 2143 P HA -0.240 nan 4.420 nan 0.000 0.217 2143 P C 1.381 178.466 177.300 -0.359 0.000 1.162 2143 P CA 2.323 65.096 63.100 -0.544 0.000 0.901 2143 P CB -0.225 31.081 31.700 -0.656 0.000 0.793 2144 W N -0.400 120.806 121.300 -0.157 0.000 2.560 2144 W HA -0.079 4.581 4.660 -0.000 0.000 0.252 2144 W C 1.609 178.081 176.519 -0.078 0.000 1.242 2144 W CA 0.558 57.846 57.345 -0.096 0.000 1.242 2144 W CB -1.607 27.799 29.460 -0.091 0.000 1.136 2144 W HN 0.013 nan 8.180 nan 0.000 0.625 2145 Q N 1.157 120.668 119.800 -0.483 0.000 2.408 2145 Q HA 0.318 4.658 4.340 -0.000 0.000 0.205 2145 Q C 1.345 177.226 176.000 -0.199 0.000 0.919 2145 Q CA 0.555 56.183 55.803 -0.292 0.000 0.932 2145 Q CB -0.202 28.289 28.738 -0.412 0.000 1.058 2145 Q HN 0.281 nan 8.270 nan 0.000 0.517 2146 A N 0.414 123.121 122.820 -0.188 0.000 2.536 2146 A HA -0.045 4.275 4.320 -0.000 0.000 0.234 2146 A C 1.080 178.525 177.584 -0.232 0.000 1.076 2146 A CA 0.361 52.297 52.037 -0.169 0.000 0.769 2146 A CB 0.170 19.108 19.000 -0.103 0.000 1.020 2146 A HN 0.506 nan 8.150 nan 0.000 0.508 2147 R N 0.045 120.366 120.500 -0.299 0.000 2.109 2147 R HA -0.151 4.189 4.340 -0.000 0.000 0.227 2147 R C 0.761 176.737 176.300 -0.539 0.000 1.132 2147 R CA 1.860 57.713 56.100 -0.412 0.000 0.907 2147 R CB -0.414 29.590 30.300 -0.494 0.000 0.825 2147 R HN 0.873 nan 8.270 nan 0.000 0.432 2148 H N 0.466 119.161 119.070 -0.625 0.000 2.682 2148 H HA 0.118 4.674 4.556 -0.000 0.000 0.293 2148 H C 1.365 176.175 175.328 -0.864 0.000 1.080 2148 H CA 0.461 55.998 56.048 -0.852 0.000 1.189 2148 H CB 0.036 28.998 29.762 -1.334 0.000 1.311 2148 H HN 0.457 nan 8.280 nan 0.000 0.599 2149 A N 0.664 123.245 122.820 -0.397 0.000 1.873 2149 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 2149 A C 2.394 179.969 177.584 -0.014 0.000 1.193 2149 A CA 1.901 53.855 52.037 -0.139 0.000 0.629 2149 A CB -0.395 18.564 19.000 -0.069 0.000 0.826 2149 A HN 0.435 nan 8.150 nan 0.000 0.447 2150 Q N -0.932 118.845 119.800 -0.037 0.000 2.079 2150 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 2150 Q C 2.144 178.178 176.000 0.058 0.000 0.974 2150 Q CA 1.651 57.467 55.803 0.021 0.000 0.840 2150 Q CB -0.147 28.590 28.738 -0.001 0.000 0.898 2150 Q HN 0.814 nan 8.270 nan 0.000 0.430 2151 E N -0.724 119.491 120.200 0.025 0.000 2.077 2151 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 2151 E C 1.413 178.169 176.600 0.260 0.000 0.989 2151 E CA 1.316 57.775 56.400 0.099 0.000 0.800 2151 E CB -0.074 29.664 29.700 0.063 0.000 0.746 2151 E HN 0.460 nan 8.360 nan 0.000 0.452 2152 W N 1.215 122.571 121.300 0.093 0.000 2.379 2152 W HA -0.091 4.569 4.660 -0.000 0.000 0.307 2152 W C 1.978 178.564 176.519 0.113 0.000 1.200 2152 W CA 1.037 58.440 57.345 0.098 0.000 1.297 2152 W CB -1.285 28.245 29.460 0.118 0.000 1.140 2152 W HN 0.230 nan 8.180 nan 0.000 0.507 2153 D N -0.128 120.483 120.400 0.352 0.000 2.384 2153 D HA -0.115 4.525 4.640 -0.000 0.000 0.222 2153 D C 1.463 177.882 176.300 0.197 0.000 0.976 2153 D CA 1.008 55.168 54.000 0.266 0.000 0.915 2153 D CB -0.027 40.905 40.800 0.220 0.000 0.896 2153 D HN 0.066 nan 8.370 nan 0.000 0.523 2154 K N -0.795 119.710 120.400 0.176 0.000 2.367 2154 K HA 0.154 4.474 4.320 -0.000 0.000 0.194 2154 K C 0.404 177.076 176.600 0.120 0.000 1.027 2154 K CA -0.145 56.217 56.287 0.124 0.000 1.075 2154 K CB 0.503 33.061 32.500 0.098 0.000 0.845 2154 K HN 0.209 nan 8.250 nan 0.000 0.529 2155 M N 1.526 121.216 119.600 0.149 0.000 2.205 2155 M HA 0.159 4.639 4.480 -0.000 0.000 0.344 2155 M C -0.635 175.730 176.300 0.109 0.000 1.085 2155 M CA -0.186 55.183 55.300 0.115 0.000 1.001 2155 M CB 1.593 34.264 32.600 0.118 0.000 1.626 2155 M HN -0.167 nan 8.290 nan 0.000 0.442 2156 T N 4.770 119.370 114.554 0.077 0.000 2.926 2156 T HA 0.064 4.414 4.350 -0.000 0.000 0.307 2156 T C 1.446 176.168 174.700 0.037 0.000 1.059 2156 T CA -0.297 61.843 62.100 0.066 0.000 1.122 2156 T CB 0.676 69.573 68.868 0.049 0.000 0.972 2156 T HN 0.702 nan 8.240 nan 0.000 0.545 2157 M N 2.344 121.958 119.600 0.022 0.000 2.337 2157 M HA -0.088 4.392 4.480 -0.000 0.000 0.261 2157 M C 2.044 178.315 176.300 -0.048 0.000 1.067 2157 M CA 1.558 56.833 55.300 -0.042 0.000 1.074 2157 M CB -0.843 31.656 32.600 -0.169 0.000 1.395 2157 M HN 0.621 nan 8.290 nan 0.000 0.431 2158 K N 0.265 120.643 120.400 -0.037 0.000 1.980 2158 K HA -0.172 4.147 4.320 -0.000 0.000 0.208 2158 K C 1.319 177.925 176.600 0.011 0.000 1.043 2158 K CA 1.922 58.197 56.287 -0.020 0.000 0.938 2158 K CB -0.106 32.354 32.500 -0.066 0.000 0.724 2158 K HN 0.079 nan 8.250 nan 0.000 0.438 2159 D N 1.212 121.611 120.400 -0.000 0.000 2.268 2159 D HA -0.268 4.372 4.640 -0.000 0.000 0.189 2159 D C 1.816 178.101 176.300 -0.024 0.000 1.010 2159 D CA 1.678 55.674 54.000 -0.007 0.000 0.862 2159 D CB -0.443 40.362 40.800 0.008 0.000 0.943 2159 D HN 0.203 nan 8.370 nan 0.000 0.451 2160 L N 0.328 121.533 121.223 -0.031 0.000 2.012 2160 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 2160 L C 2.146 178.970 176.870 -0.076 0.000 1.073 2160 L CA 1.474 56.272 54.840 -0.070 0.000 0.748 2160 L CB -0.479 41.520 42.059 -0.100 0.000 0.891 2160 L HN 0.125 nan 8.230 nan 0.000 0.431 2161 I N -0.215 120.331 120.570 -0.040 0.000 2.163 2161 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 2161 I C 1.700 177.781 176.117 -0.059 0.000 1.085 2161 I CA 1.564 62.842 61.300 -0.036 0.000 1.347 2161 I CB -0.537 37.520 38.000 0.094 0.000 1.044 2161 I HN 0.323 nan 8.210 nan 0.000 0.408 2162 D N 0.416 120.805 120.400 -0.018 0.000 2.348 2162 D HA -0.142 4.498 4.640 -0.000 0.000 0.216 2162 D C 1.886 178.087 176.300 -0.165 0.000 0.970 2162 D CA 0.869 54.824 54.000 -0.076 0.000 0.889 2162 D CB -0.097 40.686 40.800 -0.029 0.000 0.912 2162 D HN 0.323 nan 8.370 nan 0.000 0.524 2163 K N 0.517 120.834 120.400 -0.138 0.000 2.379 2163 K HA 0.101 4.421 4.320 -0.000 0.000 0.194 2163 K C 1.567 178.076 176.600 -0.152 0.000 1.031 2163 K CA 0.213 56.407 56.287 -0.155 0.000 1.037 2163 K CB 0.430 32.874 32.500 -0.094 0.000 0.824 2163 K HN 0.205 nan 8.250 nan 0.000 0.516 2164 I N -3.606 116.880 120.570 -0.140 0.000 4.338 2164 I HA 0.292 4.462 4.170 -0.000 0.000 0.329 2164 I C -0.384 175.708 176.117 -0.043 0.000 1.378 2164 I CA -0.690 60.568 61.300 -0.069 0.000 1.170 2164 I CB 0.707 38.649 38.000 -0.096 0.000 1.206 2164 I HN -0.156 nan 8.210 nan 0.000 0.432 2165 C N 1.547 120.767 119.300 -0.134 0.000 2.281 2165 C HA 0.376 4.836 4.460 -0.000 0.000 0.323 2165 C C 0.565 175.486 174.990 -0.115 0.000 1.270 2165 C CA -0.335 58.626 59.018 -0.095 0.000 1.559 2165 C CB -0.123 27.512 27.740 -0.176 0.000 2.239 2165 C HN 0.635 nan 8.230 nan 0.000 0.488 2166 W N 1.467 122.697 121.300 -0.116 0.000 2.942 2166 W HA 0.122 4.782 4.660 -0.000 0.000 0.263 2166 W C 1.019 177.490 176.519 -0.080 0.000 1.296 2166 W CA 0.049 57.342 57.345 -0.086 0.000 1.504 2166 W CB -0.206 29.208 29.460 -0.077 0.000 1.096 2166 W HN 0.452 nan 8.180 nan 0.000 0.639 2167 T N 1.058 115.675 114.554 0.105 0.000 2.767 2167 T HA 0.104 4.454 4.350 -0.000 0.000 0.288 2167 T C 1.119 175.801 174.700 -0.030 0.000 0.963 2167 T CA -0.652 61.468 62.100 0.034 0.000 1.019 2167 T CB 2.051 70.928 68.868 0.015 0.000 0.923 2167 T HN -0.010 nan 8.240 nan 0.000 0.468 2168 K N 2.382 122.764 120.400 -0.031 0.000 2.211 2168 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 2168 K C 1.689 178.247 176.600 -0.069 0.000 1.047 2168 K CA 1.454 57.704 56.287 -0.062 0.000 0.935 2168 K CB -0.150 32.329 32.500 -0.035 0.000 0.728 2168 K HN 0.568 nan 8.250 nan 0.000 0.452 2169 T N 0.630 115.166 114.554 -0.030 0.000 2.590 2169 T HA -0.093 4.257 4.350 -0.000 0.000 0.257 2169 T C 1.885 176.614 174.700 0.050 0.000 1.080 2169 T CA 1.449 63.556 62.100 0.012 0.000 1.180 2169 T CB -0.502 68.370 68.868 0.006 0.000 0.865 2169 T HN 0.399 nan 8.240 nan 0.000 0.403 2170 A N 1.767 124.595 122.820 0.014 0.000 2.042 2170 A HA -0.218 4.102 4.320 -0.000 0.000 0.222 2170 A C 2.255 179.765 177.584 -0.122 0.000 1.167 2170 A CA 2.169 54.200 52.037 -0.010 0.000 0.649 2170 A CB -0.715 18.228 19.000 -0.094 0.000 0.809 2170 A HN 0.524 nan 8.150 nan 0.000 0.457 2171 R N -0.265 120.122 120.500 -0.189 0.000 2.052 2171 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 2171 R C 1.869 177.766 176.300 -0.672 0.000 1.145 2171 R CA 1.385 57.247 56.100 -0.396 0.000 0.952 2171 R CB -0.500 29.578 30.300 -0.370 0.000 0.847 2171 R HN 0.550 nan 8.270 nan 0.000 0.431 2172 E N -0.044 119.839 120.200 -0.529 0.000 2.130 2172 E HA -0.236 4.113 4.350 -0.000 0.000 0.196 2172 E C 1.893 178.409 176.600 -0.140 0.000 0.998 2172 E CA 1.403 57.534 56.400 -0.448 0.000 0.806 2172 E CB -0.275 29.338 29.700 -0.145 0.000 0.738 2172 E HN 0.363 nan 8.360 nan 0.000 0.459 2173 F N 1.254 121.146 119.950 -0.096 0.000 2.102 2173 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 2173 F C 2.530 178.428 175.800 0.163 0.000 1.105 2173 F CA 1.279 59.343 58.000 0.108 0.000 1.239 2173 F CB -0.189 38.922 39.000 0.185 0.000 0.991 2173 F HN -0.022 nan 8.300 nan 0.000 0.474 2174 A N -0.047 122.881 122.820 0.180 0.000 1.873 2174 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 2174 A C 1.996 179.798 177.584 0.364 0.000 1.193 2174 A CA 1.962 54.078 52.037 0.133 0.000 0.629 2174 A CB -1.499 17.432 19.000 -0.116 0.000 0.826 2174 A HN 0.461 nan 8.150 nan 0.000 0.447 2175 Y N -0.779 119.597 120.300 0.127 0.000 2.014 2175 Y HA -0.251 4.299 4.550 -0.000 0.000 0.272 2175 Y C 2.346 178.335 175.900 0.148 0.000 1.164 2175 Y CA 1.123 59.276 58.100 0.088 0.000 1.114 2175 Y CB -1.657 36.838 38.460 0.057 0.000 0.961 2175 Y HN 0.295 nan 8.280 nan 0.000 0.489 2176 L N -0.551 120.884 121.223 0.352 0.000 1.997 2176 L HA -0.288 4.052 4.340 -0.000 0.000 0.216 2176 L C 2.380 179.486 176.870 0.393 0.000 1.074 2176 L CA 1.789 56.797 54.840 0.280 0.000 0.763 2176 L CB -1.208 40.942 42.059 0.152 0.000 0.890 2176 L HN 0.179 nan 8.230 nan 0.000 0.434 2177 F N -0.853 119.340 119.950 0.405 0.000 2.087 2177 F HA -0.303 4.223 4.527 -0.000 0.000 0.299 2177 F C 2.240 178.313 175.800 0.455 0.000 1.100 2177 F CA 2.138 60.448 58.000 0.517 0.000 1.226 2177 F CB -0.674 38.734 39.000 0.680 0.000 0.983 2177 F HN -0.046 nan 8.300 nan 0.000 0.479 2178 V N 0.885 121.019 119.914 0.367 0.000 2.261 2178 V HA -0.364 3.756 4.120 -0.000 0.000 0.246 2178 V C 2.295 178.455 176.094 0.110 0.000 1.047 2178 V CA 2.240 64.594 62.300 0.090 0.000 1.015 2178 V CB -0.835 30.888 31.823 -0.166 0.000 0.642 2178 V HN 0.378 nan 8.190 nan 0.000 0.446 2179 N N 0.342 119.105 118.700 0.105 0.000 2.036 2179 N HA -0.161 4.579 4.740 -0.000 0.000 0.195 2179 N C 1.772 177.325 175.510 0.073 0.000 1.037 2179 N CA 1.956 55.041 53.050 0.060 0.000 0.855 2179 N CB -0.464 38.069 38.487 0.077 0.000 1.033 2179 N HN 0.447 nan 8.380 nan 0.000 0.423 2180 I N 1.164 121.819 120.570 0.141 0.000 2.286 2180 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 2180 I C 1.506 177.744 176.117 0.200 0.000 1.115 2180 I CA 0.965 62.365 61.300 0.167 0.000 1.392 2180 I CB -0.216 37.920 38.000 0.227 0.000 1.065 2180 I HN 0.150 nan 8.210 nan 0.000 0.418 2181 N N -0.151 118.625 118.700 0.127 0.000 2.424 2181 N HA 0.038 4.778 4.740 -0.000 0.000 0.178 2181 N C 1.157 176.817 175.510 0.251 0.000 1.060 2181 N CA 0.809 53.955 53.050 0.159 0.000 0.901 2181 N CB 1.256 39.723 38.487 -0.034 0.000 0.979 2181 N HN 0.192 nan 8.380 nan 0.000 0.451 2182 V N 0.503 120.540 119.914 0.205 0.000 3.382 2182 V HA -0.018 4.102 4.120 -0.000 0.000 0.296 2182 V C 0.427 176.526 176.094 0.007 0.000 1.529 2182 V CA 0.385 62.774 62.300 0.148 0.000 1.048 2182 V CB 0.256 32.244 31.823 0.275 0.000 0.878 2182 V HN 0.342 nan 8.190 nan 0.000 0.442 2183 T N -1.793 112.678 114.554 -0.138 0.000 3.897 2183 T HA -0.207 4.143 4.350 -0.000 0.000 0.353 2183 T C 0.160 174.750 174.700 -0.182 0.000 0.758 2183 T CA 0.984 62.912 62.100 -0.287 0.000 1.883 2183 T CB -2.121 66.408 68.868 -0.565 0.000 1.849 2183 T HN 0.525 nan 8.240 nan 0.000 0.791 2184 S N -0.167 115.435 115.700 -0.163 0.000 2.607 2184 S HA 0.574 5.044 4.470 -0.000 0.000 0.273 2184 S C -0.786 173.669 174.600 -0.242 0.000 1.148 2184 S CA -1.229 56.811 58.200 -0.267 0.000 0.833 2184 S CB 1.806 64.687 63.200 -0.532 0.000 1.130 2184 S HN 0.368 nan 8.310 nan 0.000 0.470 2185 E N 2.805 122.812 120.200 -0.323 0.000 2.331 2185 E HA 0.195 4.545 4.350 -0.000 0.000 0.272 2185 E C -1.565 174.819 176.600 -0.360 0.000 1.036 2185 E CA -2.091 54.125 56.400 -0.307 0.000 0.864 2185 E CB 0.530 30.011 29.700 -0.364 0.000 1.035 2185 E HN 0.274 nan 8.360 nan 0.000 0.408 2186 P HA -0.202 nan 4.420 nan 0.000 0.218 2186 P C 0.859 178.046 177.300 -0.189 0.000 1.146 2186 P CA 1.553 64.509 63.100 -0.239 0.000 0.813 2186 P CB 0.019 31.570 31.700 -0.247 0.000 0.778 2187 H N -0.985 117.953 119.070 -0.220 0.000 2.539 2187 H HA 0.250 4.806 4.556 -0.000 0.000 0.267 2187 H C 1.080 176.347 175.328 -0.102 0.000 0.982 2187 H CA 0.149 56.107 56.048 -0.150 0.000 1.146 2187 H CB -0.257 29.410 29.762 -0.159 0.000 1.382 2187 H HN 0.210 nan 8.280 nan 0.000 0.577 2188 E N 1.171 121.052 120.200 -0.531 0.000 2.307 2188 E HA 0.075 4.425 4.350 -0.000 0.000 0.195 2188 E C 0.944 177.427 176.600 -0.194 0.000 0.975 2188 E CA 0.352 56.514 56.400 -0.397 0.000 0.878 2188 E CB 1.057 30.416 29.700 -0.569 0.000 0.845 2188 E HN 0.326 nan 8.360 nan 0.000 0.488 2189 V N -0.818 118.999 119.914 -0.162 0.000 2.975 2189 V HA 0.444 4.564 4.120 -0.000 0.000 0.318 2189 V C -0.057 176.166 176.094 0.214 0.000 1.077 2189 V CA -1.046 61.301 62.300 0.079 0.000 1.000 2189 V CB 1.883 33.828 31.823 0.203 0.000 1.066 2189 V HN -0.011 nan 8.190 nan 0.000 0.452 2190 S N 2.689 118.613 115.700 0.374 0.000 2.505 2190 S HA 0.514 4.984 4.470 -0.000 0.000 0.276 2190 S C 1.364 176.221 174.600 0.429 0.000 1.274 2190 S CA 0.072 58.497 58.200 0.375 0.000 1.053 2190 S CB 0.722 64.175 63.200 0.422 0.000 0.919 2190 S HN 1.780 nan 8.310 nan 0.000 0.490 2191 A N 5.344 128.328 122.820 0.274 0.000 1.892 2191 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 2191 A C 2.019 179.771 177.584 0.281 0.000 1.188 2191 A CA 1.864 54.027 52.037 0.211 0.000 0.631 2191 A CB -1.007 18.036 19.000 0.071 0.000 0.822 2191 A HN 1.010 nan 8.150 nan 0.000 0.447 2192 L N -1.377 120.052 121.223 0.343 0.000 1.989 2192 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 2192 L C 2.216 179.337 176.870 0.419 0.000 1.071 2192 L CA 2.717 57.805 54.840 0.413 0.000 0.749 2192 L CB -1.015 41.302 42.059 0.431 0.000 0.890 2192 L HN 0.650 nan 8.230 nan 0.000 0.431 2193 W N -0.298 121.173 121.300 0.285 0.000 2.333 2193 W HA -0.317 4.343 4.660 -0.000 0.000 0.316 2193 W C 2.432 179.247 176.519 0.493 0.000 1.215 2193 W CA 2.284 59.815 57.345 0.310 0.000 1.278 2193 W CB -0.980 28.670 29.460 0.317 0.000 1.154 2193 W HN 0.307 nan 8.180 nan 0.000 0.486 2194 F N 0.795 120.806 119.950 0.102 0.000 2.046 2194 F HA -0.276 4.251 4.527 -0.000 0.000 0.297 2194 F C 2.344 178.097 175.800 -0.078 0.000 1.123 2194 F CA 2.640 60.526 58.000 -0.191 0.000 1.199 2194 F CB -0.977 38.065 39.000 0.070 0.000 0.972 2194 F HN -0.154 nan 8.300 nan 0.000 0.474 2195 L N -1.169 120.174 121.223 0.200 0.000 2.051 2195 L HA -0.290 4.050 4.340 -0.000 0.000 0.214 2195 L C 2.336 179.193 176.870 -0.023 0.000 1.076 2195 L CA 2.044 56.930 54.840 0.077 0.000 0.758 2195 L CB -1.042 41.051 42.059 0.057 0.000 0.890 2195 L HN 0.525 nan 8.230 nan 0.000 0.433 2196 W N -0.036 121.173 121.300 -0.151 0.000 2.378 2196 W HA -0.289 4.371 4.660 -0.000 0.000 0.313 2196 W C 2.666 178.995 176.519 -0.316 0.000 1.197 2196 W CA 1.542 58.771 57.345 -0.193 0.000 1.304 2196 W CB -0.853 28.516 29.460 -0.152 0.000 1.148 2196 W HN 0.108 nan 8.180 nan 0.000 0.494 2197 Y N 0.878 120.677 120.300 -0.835 0.000 2.102 2197 Y HA -0.381 4.169 4.550 -0.000 0.000 0.280 2197 Y C 2.281 177.600 175.900 -0.969 0.000 1.178 2197 Y CA 3.317 60.706 58.100 -1.184 0.000 1.146 2197 Y CB -0.754 37.028 38.460 -1.130 0.000 0.968 2197 Y HN -0.115 nan 8.280 nan 0.000 0.504 2198 V N 0.257 119.763 119.914 -0.680 0.000 2.307 2198 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 2198 V C 2.363 178.130 176.094 -0.546 0.000 1.045 2198 V CA 2.114 64.094 62.300 -0.534 0.000 1.024 2198 V CB -0.780 30.881 31.823 -0.270 0.000 0.651 2198 V HN 0.280 nan 8.190 nan 0.000 0.449 2199 R N 1.746 121.961 120.500 -0.474 0.000 2.083 2199 R HA -0.244 4.096 4.340 -0.000 0.000 0.237 2199 R C 2.352 178.303 176.300 -0.583 0.000 1.137 2199 R CA 2.339 58.196 56.100 -0.406 0.000 0.951 2199 R CB -0.889 29.260 30.300 -0.251 0.000 0.851 2199 R HN 0.734 nan 8.270 nan 0.000 0.434 2200 Q N -1.208 118.076 119.800 -0.861 0.000 2.368 2200 Q HA -0.117 4.223 4.340 -0.000 0.000 0.210 2200 Q C 1.555 176.943 176.000 -1.020 0.000 0.982 2200 Q CA 1.863 57.111 55.803 -0.925 0.000 0.884 2200 Q CB -0.646 27.262 28.738 -1.384 0.000 0.933 2200 Q HN 0.354 nan 8.270 nan 0.000 0.460 2201 C N -0.716 117.874 119.300 -1.183 0.000 2.735 2201 C HA 0.551 5.011 4.460 -0.000 0.000 0.271 2201 C C 1.453 175.683 174.990 -1.268 0.000 1.281 2201 C CA 0.244 58.217 59.018 -1.742 0.000 1.719 2201 C CB -0.395 26.306 27.740 -1.733 0.000 2.024 2201 C HN 0.824 nan 8.230 nan 0.000 0.566 2202 G N -0.030 108.341 108.800 -0.715 0.000 2.189 2202 G HA2 0.404 4.364 3.960 -0.000 0.000 0.113 2202 G HA3 0.404 4.364 3.960 -0.000 0.000 0.113 2202 G C 0.294 175.028 174.900 -0.276 0.000 1.038 2202 G CA -0.166 44.690 45.100 -0.407 0.000 0.704 2202 G HN 1.452 nan 8.290 nan 0.000 0.490 2203 G N -1.273 107.360 108.800 -0.279 0.000 2.785 2203 G HA2 0.233 4.193 3.960 -0.000 0.000 0.685 2203 G HA3 0.233 4.193 3.960 -0.000 0.000 0.685 2203 G C 1.352 176.214 174.900 -0.064 0.000 1.480 2203 G CA 0.829 45.838 45.100 -0.153 0.000 0.915 2203 G HN 1.993 nan 8.290 nan 0.000 0.576 2204 T N -0.723 113.857 114.554 0.044 0.000 2.594 2204 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 2204 T C 2.748 177.527 174.700 0.131 0.000 1.070 2204 T CA 3.696 65.902 62.100 0.177 0.000 1.166 2204 T CB -0.941 67.969 68.868 0.070 0.000 0.862 2204 T HN 2.378 nan 8.240 nan 0.000 0.436 2205 A N 2.431 125.283 122.820 0.053 0.000 1.870 2205 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 2205 A C 2.484 180.077 177.584 0.014 0.000 1.224 2205 A CA 3.060 55.113 52.037 0.026 0.000 0.650 2205 A CB -1.116 17.867 19.000 -0.029 0.000 0.836 2205 A HN 0.599 nan 8.150 nan 0.000 0.454 2206 R N -0.490 120.008 120.500 -0.003 0.000 2.070 2206 R HA 0.005 4.345 4.340 -0.000 0.000 0.233 2206 R C 2.053 178.402 176.300 0.081 0.000 1.137 2206 R CA 1.714 57.830 56.100 0.026 0.000 0.945 2206 R CB -0.688 29.614 30.300 0.003 0.000 0.845 2206 R HN 0.569 nan 8.270 nan 0.000 0.430 2207 I N -0.237 120.358 120.570 0.041 0.000 2.623 2207 I HA -0.249 3.921 4.170 -0.000 0.000 0.261 2207 I C 1.159 177.379 176.117 0.172 0.000 1.204 2207 I CA 1.214 62.563 61.300 0.081 0.000 1.444 2207 I CB 0.039 38.029 38.000 -0.018 0.000 1.094 2207 I HN 0.280 nan 8.210 nan 0.000 0.451 2208 F N -0.427 119.506 119.950 -0.027 0.000 2.592 2208 F HA 0.264 4.791 4.527 -0.000 0.000 0.280 2208 F C 1.539 177.226 175.800 -0.189 0.000 1.083 2208 F CA -0.202 57.732 58.000 -0.111 0.000 1.365 2208 F CB 0.153 39.032 39.000 -0.202 0.000 1.100 2208 F HN -0.236 nan 8.300 nan 0.000 0.633 2209 S N 0.595 116.312 115.700 0.028 0.000 2.566 2209 S HA 0.037 4.507 4.470 -0.000 0.000 0.280 2209 S C 0.887 175.420 174.600 -0.113 0.000 1.343 2209 S CA 0.273 58.449 58.200 -0.041 0.000 1.036 2209 S CB 1.751 64.938 63.200 -0.021 0.000 0.866 2209 S HN 0.207 nan 8.310 nan 0.000 0.526 2210 V N 2.306 122.151 119.914 -0.115 0.000 2.908 2210 V HA -0.056 4.064 4.120 -0.000 0.000 0.240 2210 V C 1.988 178.031 176.094 -0.086 0.000 1.117 2210 V CA 1.440 63.657 62.300 -0.139 0.000 1.133 2210 V CB -0.544 31.183 31.823 -0.161 0.000 0.857 2210 V HN 1.030 nan 8.190 nan 0.000 0.478 2211 T N 0.658 115.180 114.554 -0.054 0.000 2.881 2211 T HA -0.140 4.210 4.350 -0.000 0.000 0.270 2211 T C 1.332 176.016 174.700 -0.028 0.000 1.068 2211 T CA 1.962 64.044 62.100 -0.031 0.000 1.131 2211 T CB -0.235 68.627 68.868 -0.010 0.000 0.871 2211 T HN 0.483 nan 8.240 nan 0.000 0.479 2212 N N 0.196 118.878 118.700 -0.029 0.000 2.193 2212 N HA 0.241 4.981 4.740 -0.000 0.000 0.236 2212 N C 0.125 175.620 175.510 -0.025 0.000 1.347 2212 N CA -0.048 52.988 53.050 -0.024 0.000 0.812 2212 N CB 0.558 39.040 38.487 -0.008 0.000 1.297 2212 N HN 0.313 nan 8.380 nan 0.000 0.499 2213 G N -1.774 107.002 108.800 -0.041 0.000 2.753 2213 G HA2 0.448 4.408 3.960 -0.000 0.000 0.285 2213 G HA3 0.448 4.408 3.960 -0.000 0.000 0.285 2213 G C 0.796 175.653 174.900 -0.072 0.000 1.344 2213 G CA -0.382 44.703 45.100 -0.026 0.000 1.050 2213 G HN 0.089 nan 8.290 nan 0.000 0.532 2214 G N -0.889 107.880 108.800 -0.052 0.000 2.776 2214 G HA2 0.075 4.035 3.960 -0.000 0.000 0.209 2214 G HA3 0.075 4.035 3.960 -0.000 0.000 0.209 2214 G C 0.870 175.695 174.900 -0.125 0.000 1.145 2214 G CA 0.429 45.410 45.100 -0.198 0.000 0.791 2214 G HN 0.387 nan 8.290 nan 0.000 0.530 2215 Q N 0.084 119.797 119.800 -0.145 0.000 2.186 2215 Q HA 0.204 4.544 4.340 -0.000 0.000 0.241 2215 Q C 1.109 177.021 176.000 -0.146 0.000 0.849 2215 Q CA -0.211 55.452 55.803 -0.233 0.000 1.053 2215 Q CB 0.535 29.008 28.738 -0.442 0.000 1.146 2215 Q HN 0.649 nan 8.270 nan 0.000 0.475 2216 E N 2.067 122.199 120.200 -0.113 0.000 2.107 2216 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 2216 E C 0.217 176.755 176.600 -0.104 0.000 0.982 2216 E CA 0.774 57.114 56.400 -0.100 0.000 0.809 2216 E CB 0.465 30.106 29.700 -0.099 0.000 0.756 2216 E HN 0.361 nan 8.360 nan 0.000 0.459 2217 R N -1.278 119.139 120.500 -0.138 0.000 2.716 2217 R HA 0.439 4.779 4.340 -0.000 0.000 0.271 2217 R C -1.182 174.867 176.300 -0.418 0.000 1.028 2217 R CA -0.996 54.941 56.100 -0.273 0.000 0.883 2217 R CB 1.152 31.302 30.300 -0.249 0.000 1.250 2217 R HN -0.238 nan 8.270 nan 0.000 0.465 2218 K N 0.439 120.423 120.400 -0.692 0.000 2.354 2218 K HA 0.473 4.793 4.320 -0.000 0.000 0.238 2218 K C -0.953 175.394 176.600 -0.422 0.000 1.068 2218 K CA -0.813 55.070 56.287 -0.673 0.000 0.925 2218 K CB 1.207 33.346 32.500 -0.603 0.000 1.286 2218 K HN 0.291 nan 8.250 nan 0.000 0.500 2219 F N 1.101 121.053 119.950 0.004 0.000 2.410 2219 F HA 0.196 4.723 4.527 -0.000 0.000 0.349 2219 F C 0.170 176.045 175.800 0.125 0.000 1.117 2219 F CA -1.248 56.785 58.000 0.055 0.000 1.104 2219 F CB 1.406 40.393 39.000 -0.023 0.000 1.122 2219 F HN -0.011 nan 8.300 nan 0.000 0.483 2220 V N 3.814 123.904 119.914 0.294 0.000 2.403 2220 V HA 0.305 4.425 4.120 -0.000 0.000 0.265 2220 V C 0.793 176.514 176.094 -0.621 0.000 1.034 2220 V CA 0.983 63.258 62.300 -0.042 0.000 1.036 2220 V CB -0.041 31.808 31.823 0.044 0.000 1.032 2220 V HN 1.141 nan 8.190 nan 0.000 0.478 2221 G N 3.218 110.917 108.800 -1.835 0.000 2.284 2221 G HA2 0.247 4.207 3.960 -0.000 0.000 0.201 2221 G HA3 0.247 4.207 3.960 -0.000 0.000 0.201 2221 G C 0.581 174.849 174.900 -1.054 0.000 0.998 2221 G CA -0.251 43.865 45.100 -1.640 0.000 0.651 2221 G HN 2.204 nan 8.290 nan 0.000 0.489 2222 G N -0.776 107.669 108.800 -0.592 0.000 3.069 2222 G HA2 0.397 4.357 3.960 -0.000 0.000 0.686 2222 G HA3 0.397 4.357 3.960 -0.000 0.000 0.686 2222 G C 0.864 175.846 174.900 0.138 0.000 1.161 2222 G CA 0.889 46.069 45.100 0.133 0.000 0.804 2222 G HN 1.840 nan 8.290 nan 0.000 0.608 2223 S N 0.896 116.781 115.700 0.308 0.000 2.419 2223 S HA -0.037 4.433 4.470 -0.000 0.000 0.235 2223 S C 2.671 177.356 174.600 0.143 0.000 1.019 2223 S CA 2.063 60.483 58.200 0.367 0.000 0.982 2223 S CB -0.418 63.028 63.200 0.409 0.000 0.789 2223 S HN 2.228 nan 8.310 nan 0.000 0.490 2224 G N 1.618 110.507 108.800 0.149 0.000 2.469 2224 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.220 2224 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.220 2224 G C 1.476 176.406 174.900 0.049 0.000 1.136 2224 G CA 0.980 46.158 45.100 0.131 0.000 0.759 2224 G HN 0.653 nan 8.290 nan 0.000 0.562 2225 Q N -0.133 119.658 119.800 -0.015 0.000 2.156 2225 Q HA -0.172 4.168 4.340 -0.000 0.000 0.211 2225 Q C 2.804 178.745 176.000 -0.099 0.000 0.995 2225 Q CA 1.681 57.437 55.803 -0.078 0.000 0.877 2225 Q CB -0.502 28.145 28.738 -0.152 0.000 0.920 2225 Q HN 0.440 nan 8.270 nan 0.000 0.416 2226 V N 0.732 120.559 119.914 -0.145 0.000 2.282 2226 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 2226 V C 2.214 178.269 176.094 -0.066 0.000 1.057 2226 V CA 2.231 64.441 62.300 -0.150 0.000 1.032 2226 V CB -0.675 31.044 31.823 -0.174 0.000 0.645 2226 V HN 0.326 nan 8.190 nan 0.000 0.447 2227 S N -0.656 115.033 115.700 -0.018 0.000 2.357 2227 S HA -0.148 4.322 4.470 -0.000 0.000 0.221 2227 S C 1.857 176.457 174.600 0.001 0.000 1.031 2227 S CA 1.292 59.495 58.200 0.006 0.000 0.982 2227 S CB -0.291 62.933 63.200 0.041 0.000 0.853 2227 S HN 0.719 nan 8.310 nan 0.000 0.458 2228 E N 1.361 121.565 120.200 0.006 0.000 2.049 2228 E HA -0.212 4.138 4.350 -0.000 0.000 0.198 2228 E C 2.323 178.914 176.600 -0.015 0.000 1.007 2228 E CA 1.073 57.475 56.400 0.004 0.000 0.809 2228 E CB -0.224 29.480 29.700 0.008 0.000 0.749 2228 E HN 0.377 nan 8.360 nan 0.000 0.450 2229 Q N 0.754 120.533 119.800 -0.037 0.000 1.948 2229 Q HA -0.161 4.179 4.340 -0.000 0.000 0.205 2229 Q C 2.379 178.359 176.000 -0.033 0.000 0.992 2229 Q CA 1.087 56.863 55.803 -0.045 0.000 0.849 2229 Q CB -0.723 27.971 28.738 -0.072 0.000 0.918 2229 Q HN 0.379 nan 8.270 nan 0.000 0.421 2230 I N 0.464 121.012 120.570 -0.035 0.000 2.761 2230 I HA -0.277 3.893 4.170 -0.000 0.000 0.266 2230 I C 2.183 178.291 176.117 -0.014 0.000 1.239 2230 I CA 0.752 62.038 61.300 -0.025 0.000 1.451 2230 I CB -0.002 37.983 38.000 -0.024 0.000 1.096 2230 I HN 0.262 nan 8.210 nan 0.000 0.465 2231 M N -0.310 119.283 119.600 -0.011 0.000 2.287 2231 M HA 0.024 4.504 4.480 -0.000 0.000 0.266 2231 M C 2.044 178.342 176.300 -0.003 0.000 1.079 2231 M CA 1.631 56.927 55.300 -0.006 0.000 1.146 2231 M CB -0.321 32.278 32.600 -0.002 0.000 1.374 2231 M HN 0.213 nan 8.290 nan 0.000 0.435 2232 G N 1.098 109.894 108.800 -0.007 0.000 2.432 2232 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.219 2232 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.219 2232 G C 1.375 176.273 174.900 -0.003 0.000 1.135 2232 G CA 0.686 45.783 45.100 -0.005 0.000 0.767 2232 G HN 0.473 nan 8.290 nan 0.000 0.550 2233 L N -0.426 120.794 121.223 -0.006 0.000 2.291 2233 L HA 0.135 4.475 4.340 -0.000 0.000 0.214 2233 L C 2.522 179.395 176.870 0.005 0.000 1.120 2233 L CA 0.364 55.202 54.840 -0.003 0.000 0.799 2233 L CB -0.233 41.822 42.059 -0.007 0.000 0.925 2233 L HN 0.225 nan 8.230 nan 0.000 0.446 2234 L N -1.443 119.784 121.223 0.006 0.000 2.425 2234 L HA 0.245 4.585 4.340 -0.000 0.000 0.215 2234 L C 1.949 178.832 176.870 0.021 0.000 1.065 2234 L CA 0.506 55.355 54.840 0.015 0.000 0.842 2234 L CB -0.660 41.405 42.059 0.010 0.000 1.033 2234 L HN 0.334 nan 8.230 nan 0.000 0.474 2235 G N 1.326 110.135 108.800 0.015 0.000 2.692 2235 G HA2 -0.516 3.444 3.960 -0.000 0.000 0.339 2235 G HA3 -0.516 3.444 3.960 -0.000 0.000 0.339 2235 G C 0.945 175.863 174.900 0.030 0.000 1.226 2235 G CA 0.910 46.022 45.100 0.019 0.000 0.979 2235 G HN 0.363 nan 8.290 nan 0.000 0.549 2236 D N 0.874 121.298 120.400 0.041 0.000 2.200 2236 D HA -0.151 4.489 4.640 -0.000 0.000 0.192 2236 D C 1.993 178.343 176.300 0.083 0.000 1.008 2236 D CA 1.777 55.814 54.000 0.062 0.000 0.872 2236 D CB -0.220 40.621 40.800 0.067 0.000 0.923 2236 D HN 0.598 nan 8.370 nan 0.000 0.447 2237 K N -0.284 120.165 120.400 0.081 0.000 2.706 2237 K HA 0.105 4.425 4.320 -0.000 0.000 0.217 2237 K C -0.474 176.127 176.600 0.002 0.000 1.019 2237 K CA -0.095 56.245 56.287 0.087 0.000 1.181 2237 K CB 0.736 33.303 32.500 0.112 0.000 0.940 2237 K HN -0.014 nan 8.250 nan 0.000 0.491 2238 V N 2.439 122.349 119.914 -0.006 0.000 2.439 2238 V HA 0.106 4.226 4.120 -0.000 0.000 0.277 2238 V C -0.663 175.407 176.094 -0.040 0.000 1.008 2238 V CA -1.050 61.223 62.300 -0.045 0.000 0.846 2238 V CB 1.299 33.105 31.823 -0.028 0.000 1.031 2238 V HN 0.076 nan 8.190 nan 0.000 0.441 2239 K N 5.383 125.737 120.400 -0.076 0.000 2.276 2239 K HA 0.539 4.859 4.320 -0.000 0.000 0.285 2239 K C -0.298 176.266 176.600 -0.060 0.000 1.062 2239 K CA -0.142 56.117 56.287 -0.046 0.000 0.918 2239 K CB 1.684 34.155 32.500 -0.049 0.000 1.055 2239 K HN 0.486 nan 8.250 nan 0.000 0.477 2240 L N 0.692 121.894 121.223 -0.035 0.000 2.454 2240 L HA 0.139 4.479 4.340 -0.000 0.000 0.256 2240 L C 0.804 177.642 176.870 -0.054 0.000 1.136 2240 L CA -0.551 54.259 54.840 -0.050 0.000 0.804 2240 L CB 0.478 42.517 42.059 -0.032 0.000 1.181 2240 L HN 0.711 nan 8.230 nan 0.000 0.469 2241 S N 0.370 116.020 115.700 -0.083 0.000 3.559 2241 S HA -0.154 4.316 4.470 -0.000 0.000 0.369 2241 S C 0.002 174.556 174.600 -0.077 0.000 0.987 2241 S CA 0.651 58.797 58.200 -0.089 0.000 1.187 2241 S CB -1.029 62.143 63.200 -0.047 0.000 0.914 2241 S HN 0.648 nan 8.310 nan 0.000 0.480 2242 S N 1.167 116.806 115.700 -0.102 0.000 2.204 2242 S HA 0.334 4.804 4.470 -0.000 0.000 0.147 2242 S C -2.702 171.834 174.600 -0.106 0.000 1.711 2242 S CA -0.935 57.222 58.200 -0.071 0.000 1.274 2242 S CB 1.229 64.402 63.200 -0.046 0.000 1.257 2242 S HN 0.126 nan 8.310 nan 0.000 0.404 2243 P HA 0.097 nan 4.420 nan 0.000 0.265 2243 P C -0.108 177.177 177.300 -0.026 0.000 1.222 2243 P CA -0.032 63.009 63.100 -0.099 0.000 0.767 2243 P CB 0.435 32.101 31.700 -0.057 0.000 0.801 2244 V N 3.950 123.845 119.914 -0.031 0.000 2.763 2244 V HA 0.020 4.140 4.120 -0.000 0.000 0.306 2244 V C 1.540 177.640 176.094 0.011 0.000 1.059 2244 V CA 1.278 63.559 62.300 -0.031 0.000 1.138 2244 V CB 0.792 32.573 31.823 -0.070 0.000 0.940 2244 V HN 0.617 nan 8.190 nan 0.000 0.489 2245 T N 2.995 117.560 114.554 0.018 0.000 3.046 2245 T HA 0.218 4.568 4.350 -0.000 0.000 0.270 2245 T C -0.742 174.031 174.700 0.122 0.000 0.920 2245 T CA 0.013 62.153 62.100 0.067 0.000 0.874 2245 T CB 0.017 68.906 68.868 0.035 0.000 1.214 2245 T HN 0.597 nan 8.240 nan 0.000 0.536 2246 Y N 0.800 121.025 120.300 -0.125 0.000 2.482 2246 Y HA 0.626 5.176 4.550 -0.000 0.000 0.334 2246 Y C -2.189 173.582 175.900 -0.215 0.000 1.091 2246 Y CA -1.721 56.285 58.100 -0.156 0.000 1.027 2246 Y CB 1.296 39.688 38.460 -0.114 0.000 1.306 2246 Y HN 0.048 nan 8.280 nan 0.000 0.446 2247 I N 5.773 125.865 120.570 -0.797 0.000 2.497 2247 I HA 0.248 4.418 4.170 -0.000 0.000 0.284 2247 I C -1.531 174.110 176.117 -0.793 0.000 1.060 2247 I CA -0.620 60.268 61.300 -0.688 0.000 1.071 2247 I CB 1.699 39.377 38.000 -0.536 0.000 1.216 2247 I HN 0.538 nan 8.210 nan 0.000 0.442 2248 D N 6.861 126.834 120.400 -0.713 0.000 2.381 2248 D HA 0.262 4.902 4.640 -0.000 0.000 0.235 2248 D C -0.321 175.864 176.300 -0.190 0.000 1.068 2248 D CA -0.265 53.466 54.000 -0.447 0.000 0.832 2248 D CB 1.291 41.896 40.800 -0.325 0.000 1.101 2248 D HN 0.595 nan 8.370 nan 0.000 0.515 2249 Q N 1.300 121.034 119.800 -0.111 0.000 2.318 2249 Q HA 0.241 4.581 4.340 -0.000 0.000 0.371 2249 Q C 0.083 176.066 176.000 -0.028 0.000 0.896 2249 Q CA -0.503 55.263 55.803 -0.061 0.000 1.134 2249 Q CB 0.315 29.025 28.738 -0.047 0.000 1.329 2249 Q HN 0.261 nan 8.270 nan 0.000 0.413 2250 T N -4.201 110.343 114.554 -0.015 0.000 3.037 2250 T HA 0.089 4.439 4.350 -0.000 0.000 0.252 2250 T C 0.555 175.258 174.700 0.004 0.000 1.073 2250 T CA 0.072 62.174 62.100 0.003 0.000 1.091 2250 T CB 0.227 69.106 68.868 0.018 0.000 0.935 2250 T HN 0.241 nan 8.240 nan 0.000 0.488 2251 D N 1.492 121.894 120.400 0.004 0.000 2.451 2251 D HA 0.166 4.806 4.640 -0.000 0.000 0.259 2251 D C 0.604 176.901 176.300 -0.005 0.000 1.201 2251 D CA -0.418 53.588 54.000 0.009 0.000 1.028 2251 D CB 1.071 41.886 40.800 0.024 0.000 1.095 2251 D HN -0.011 nan 8.370 nan 0.000 0.539 2252 D N -0.279 120.121 120.400 -0.001 0.000 2.264 2252 D HA -0.057 4.583 4.640 -0.000 0.000 0.208 2252 D C -0.042 176.243 176.300 -0.024 0.000 0.966 2252 D CA 0.974 54.967 54.000 -0.012 0.000 0.864 2252 D CB 0.299 41.099 40.800 -0.000 0.000 0.933 2252 D HN 0.204 nan 8.370 nan 0.000 0.499 2253 N N 0.482 119.179 118.700 -0.006 0.000 2.321 2253 N HA 0.307 5.047 4.740 -0.000 0.000 0.299 2253 N C -0.284 175.223 175.510 -0.004 0.000 1.048 2253 N CA -0.440 52.610 53.050 0.000 0.000 0.836 2253 N CB 2.454 40.966 38.487 0.041 0.000 1.269 2253 N HN -0.060 nan 8.380 nan 0.000 0.486 2254 I N 2.608 123.162 120.570 -0.026 0.000 2.441 2254 I HA 0.229 4.399 4.170 -0.000 0.000 0.287 2254 I C 0.612 176.712 176.117 -0.029 0.000 1.049 2254 I CA -0.223 61.050 61.300 -0.045 0.000 1.381 2254 I CB 0.678 38.638 38.000 -0.067 0.000 1.409 2254 I HN 0.250 nan 8.210 nan 0.000 0.523 2255 I N 6.619 127.147 120.570 -0.070 0.000 2.499 2255 I HA 0.389 4.559 4.170 -0.000 0.000 0.296 2255 I C -0.480 175.521 176.117 -0.192 0.000 0.992 2255 I CA -0.619 60.612 61.300 -0.115 0.000 1.297 2255 I CB 1.706 39.669 38.000 -0.062 0.000 1.410 2255 I HN 0.203 nan 8.210 nan 0.000 0.507 2256 V N 5.500 125.288 119.914 -0.209 0.000 2.610 2256 V HA 0.240 4.360 4.120 -0.000 0.000 0.288 2256 V C -0.630 175.430 176.094 -0.057 0.000 1.055 2256 V CA -0.671 61.553 62.300 -0.127 0.000 0.902 2256 V CB 1.682 33.452 31.823 -0.088 0.000 1.030 2256 V HN 0.725 nan 8.190 nan 0.000 0.448 2257 E N 2.231 122.441 120.200 0.017 0.000 2.202 2257 E HA 0.696 5.046 4.350 -0.000 0.000 0.272 2257 E C -0.064 176.581 176.600 0.076 0.000 0.951 2257 E CA -0.618 55.820 56.400 0.063 0.000 0.813 2257 E CB 2.690 32.434 29.700 0.073 0.000 1.151 2257 E HN 0.752 nan 8.360 nan 0.000 0.398 2258 T N -1.296 113.311 114.554 0.087 0.000 2.855 2258 T HA 0.258 4.608 4.350 -0.000 0.000 0.275 2258 T C 0.548 175.226 174.700 -0.036 0.000 1.022 2258 T CA -0.675 61.447 62.100 0.038 0.000 0.977 2258 T CB 0.386 69.297 68.868 0.072 0.000 1.559 2258 T HN 0.275 nan 8.240 nan 0.000 0.600 2259 L N 0.653 121.840 121.223 -0.060 0.000 2.585 2259 L HA 0.390 4.730 4.340 -0.000 0.000 0.226 2259 L C 1.500 178.249 176.870 -0.202 0.000 1.113 2259 L CA 0.596 55.350 54.840 -0.142 0.000 0.876 2259 L CB -0.685 41.337 42.059 -0.062 0.000 1.072 2259 L HN 0.566 nan 8.230 nan 0.000 0.468 2260 N N -0.855 117.798 118.700 -0.079 0.000 2.398 2260 N HA -0.047 4.693 4.740 -0.000 0.000 0.188 2260 N C -0.061 175.507 175.510 0.096 0.000 1.122 2260 N CA 0.329 53.383 53.050 0.006 0.000 0.866 2260 N CB -0.085 38.438 38.487 0.059 0.000 0.970 2260 N HN 0.393 nan 8.380 nan 0.000 0.462 2261 H N -1.174 117.912 119.070 0.027 0.000 3.433 2261 H HA -0.100 4.456 4.556 -0.000 0.000 0.197 2261 H C -0.223 175.117 175.328 0.020 0.000 1.059 2261 H CA 0.619 56.676 56.048 0.015 0.000 1.185 2261 H CB -1.061 28.700 29.762 -0.001 0.000 1.106 2261 H HN 0.282 nan 8.280 nan 0.000 0.329 2262 E N 0.888 121.160 120.200 0.120 0.000 2.391 2262 E HA 0.288 4.638 4.350 -0.000 0.000 0.255 2262 E C 0.554 177.182 176.600 0.046 0.000 1.187 2262 E CA 0.069 56.494 56.400 0.040 0.000 0.941 2262 E CB 1.023 30.785 29.700 0.103 0.000 1.010 2262 E HN 0.343 nan 8.360 nan 0.000 0.458 2263 H N 0.721 119.598 119.070 -0.321 0.000 2.947 2263 H HA 0.318 4.874 4.556 -0.000 0.000 0.354 2263 H C -1.659 173.425 175.328 -0.407 0.000 1.085 2263 H CA -0.439 55.502 56.048 -0.180 0.000 1.253 2263 H CB 0.449 30.153 29.762 -0.096 0.000 1.757 2263 H HN 0.373 nan 8.280 nan 0.000 0.523 2264 Y N 1.615 121.962 120.300 0.077 0.000 2.534 2264 Y HA 0.362 4.912 4.550 -0.000 0.000 0.345 2264 Y C -0.060 175.893 175.900 0.089 0.000 1.031 2264 Y CA -0.856 57.345 58.100 0.168 0.000 1.022 2264 Y CB 1.928 40.415 38.460 0.044 0.000 1.292 2264 Y HN 0.451 nan 8.280 nan 0.000 0.459 2265 E N 1.734 122.149 120.200 0.359 0.000 2.244 2265 E HA 0.785 5.135 4.350 -0.000 0.000 0.266 2265 E C -1.139 175.601 176.600 0.233 0.000 0.914 2265 E CA -0.912 55.626 56.400 0.229 0.000 0.794 2265 E CB 2.435 32.271 29.700 0.226 0.000 1.210 2265 E HN 0.774 nan 8.360 nan 0.000 0.414 2266 C N -0.481 118.897 119.300 0.130 0.000 3.320 2266 C HA 0.471 4.931 4.460 -0.000 0.000 0.335 2266 C C 0.647 175.653 174.990 0.027 0.000 1.430 2266 C CA -0.838 58.253 59.018 0.121 0.000 1.271 2266 C CB 1.551 29.355 27.740 0.108 0.000 1.609 2266 C HN 0.675 nan 8.230 nan 0.000 0.457 2267 K N -0.781 119.628 120.400 0.014 0.000 2.284 2267 K HA 0.321 4.641 4.320 -0.000 0.000 0.198 2267 K C -0.692 175.629 176.600 -0.465 0.000 1.048 2267 K CA 1.080 57.263 56.287 -0.174 0.000 0.987 2267 K CB -0.003 32.458 32.500 -0.064 0.000 0.800 2267 K HN 0.781 nan 8.250 nan 0.000 0.486 2268 Y N -1.500 118.822 120.300 0.037 0.000 2.571 2268 Y HA 0.341 4.891 4.550 -0.000 0.000 0.341 2268 Y C -0.694 175.212 175.900 0.011 0.000 1.076 2268 Y CA -1.097 57.027 58.100 0.039 0.000 1.029 2268 Y CB 2.081 40.541 38.460 0.002 0.000 1.308 2268 Y HN -0.459 nan 8.280 nan 0.000 0.461 2269 V N 3.803 123.835 119.914 0.197 0.000 2.709 2269 V HA 0.509 4.629 4.120 -0.000 0.000 0.308 2269 V C -0.726 175.396 176.094 0.047 0.000 1.062 2269 V CA -0.813 61.524 62.300 0.060 0.000 0.901 2269 V CB 2.149 33.963 31.823 -0.015 0.000 1.003 2269 V HN 0.563 nan 8.190 nan 0.000 0.425 2270 I N 2.973 123.529 120.570 -0.024 0.000 2.418 2270 I HA 0.351 4.521 4.170 -0.000 0.000 0.287 2270 I C 0.023 176.089 176.117 -0.085 0.000 1.008 2270 I CA -0.255 61.017 61.300 -0.047 0.000 1.104 2270 I CB 2.073 40.050 38.000 -0.039 0.000 1.264 2270 I HN 0.628 nan 8.210 nan 0.000 0.438 2271 S N 5.513 121.124 115.700 -0.148 0.000 2.399 2271 S HA 0.504 4.974 4.470 -0.000 0.000 0.301 2271 S C 0.457 175.085 174.600 0.048 0.000 1.093 2271 S CA -0.443 57.716 58.200 -0.068 0.000 1.077 2271 S CB 0.690 63.821 63.200 -0.116 0.000 0.980 2271 S HN 0.705 nan 8.310 nan 0.000 0.494 2272 A N 5.845 128.693 122.820 0.048 0.000 2.842 2272 A HA 0.490 4.810 4.320 -0.000 0.000 0.298 2272 A C 0.339 177.980 177.584 0.097 0.000 1.293 2272 A CA -0.676 51.406 52.037 0.075 0.000 0.959 2272 A CB -0.757 18.268 19.000 0.041 0.000 1.119 2272 A HN 0.952 nan 8.150 nan 0.000 0.564 2273 I N -4.467 116.178 120.570 0.126 0.000 2.846 2273 I HA 0.680 4.850 4.170 -0.000 0.000 0.307 2273 I C -3.051 173.158 176.117 0.152 0.000 1.053 2273 I CA -3.130 58.250 61.300 0.132 0.000 1.050 2273 I CB 1.698 39.776 38.000 0.130 0.000 1.239 2273 I HN -0.172 nan 8.210 nan 0.000 0.439 2274 P HA 0.112 nan 4.420 nan 0.000 0.264 2274 P C -2.163 175.190 177.300 0.088 0.000 1.183 2274 P CA -0.480 62.686 63.100 0.110 0.000 0.763 2274 P CB 0.107 31.861 31.700 0.091 0.000 0.807 2275 P HA -0.229 nan 4.420 nan 0.000 0.217 2275 P C 1.552 178.830 177.300 -0.037 0.000 1.162 2275 P CA 1.250 64.348 63.100 -0.003 0.000 0.901 2275 P CB -0.234 31.425 31.700 -0.070 0.000 0.793 2276 I N -1.238 119.292 120.570 -0.068 0.000 2.264 2276 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 2276 I C 1.993 178.090 176.117 -0.034 0.000 1.111 2276 I CA 1.598 62.847 61.300 -0.086 0.000 1.382 2276 I CB -1.178 36.754 38.000 -0.113 0.000 1.060 2276 I HN -0.015 nan 8.210 nan 0.000 0.418 2277 L N -0.464 120.765 121.223 0.010 0.000 2.551 2277 L HA -0.111 4.229 4.340 -0.000 0.000 0.228 2277 L C 2.134 179.055 176.870 0.085 0.000 1.153 2277 L CA 0.455 55.319 54.840 0.039 0.000 0.851 2277 L CB -0.719 41.382 42.059 0.070 0.000 0.959 2277 L HN 0.147 nan 8.230 nan 0.000 0.451 2278 T N 0.130 114.747 114.554 0.105 0.000 2.929 2278 T HA -0.135 4.215 4.350 -0.000 0.000 0.271 2278 T C 1.905 176.736 174.700 0.219 0.000 1.085 2278 T CA 1.224 63.445 62.100 0.201 0.000 1.125 2278 T CB 0.014 69.002 68.868 0.200 0.000 0.874 2278 T HN 0.483 nan 8.240 nan 0.000 0.494 2279 A N 0.998 123.875 122.820 0.095 0.000 2.168 2279 A HA 0.022 4.342 4.320 -0.000 0.000 0.215 2279 A C 2.116 179.718 177.584 0.030 0.000 1.152 2279 A CA 0.775 52.844 52.037 0.054 0.000 0.716 2279 A CB -0.162 18.821 19.000 -0.029 0.000 0.794 2279 A HN 0.185 nan 8.150 nan 0.000 0.465 2280 K N -0.170 120.261 120.400 0.051 0.000 2.515 2280 K HA 0.098 4.418 4.320 -0.000 0.000 0.196 2280 K C 0.096 176.751 176.600 0.091 0.000 1.038 2280 K CA 0.470 56.788 56.287 0.051 0.000 0.967 2280 K CB -0.243 32.295 32.500 0.064 0.000 0.780 2280 K HN 0.536 nan 8.250 nan 0.000 0.483 2281 I N 0.965 121.584 120.570 0.082 0.000 2.460 2281 I HA 0.112 4.282 4.170 -0.000 0.000 0.298 2281 I C 0.208 176.310 176.117 -0.026 0.000 0.989 2281 I CA -0.641 60.657 61.300 -0.004 0.000 1.173 2281 I CB 1.330 39.186 38.000 -0.241 0.000 1.338 2281 I HN -0.001 nan 8.210 nan 0.000 0.456 2282 H N 5.957 124.980 119.070 -0.077 0.000 2.556 2282 H HA 0.322 4.878 4.556 -0.000 0.000 0.310 2282 H C -1.078 174.204 175.328 -0.077 0.000 1.057 2282 H CA -0.454 55.641 56.048 0.079 0.000 1.264 2282 H CB 1.038 30.901 29.762 0.169 0.000 1.404 2282 H HN 0.280 nan 8.280 nan 0.000 0.462 2283 F N 2.234 122.244 119.950 0.099 0.000 2.404 2283 F HA 0.102 4.629 4.527 -0.000 0.000 0.339 2283 F C 1.446 177.249 175.800 0.005 0.000 1.105 2283 F CA -0.777 57.218 58.000 -0.010 0.000 1.087 2283 F CB 1.240 40.228 39.000 -0.020 0.000 1.143 2283 F HN 0.433 nan 8.300 nan 0.000 0.491 2284 K N 3.672 124.082 120.400 0.017 0.000 1.969 2284 K HA 0.036 4.356 4.320 -0.000 0.000 0.220 2284 K C -1.953 174.708 176.600 0.101 0.000 1.040 2284 K CA 0.864 57.182 56.287 0.051 0.000 0.981 2284 K CB -1.324 31.137 32.500 -0.064 0.000 0.746 2284 K HN 0.269 nan 8.250 nan 0.000 0.444 2285 P HA 0.094 nan 4.420 nan 0.000 0.273 2285 P C -1.300 176.043 177.300 0.072 0.000 1.319 2285 P CA 0.069 63.206 63.100 0.062 0.000 0.885 2285 P CB 0.465 32.188 31.700 0.038 0.000 1.015 2286 E N 2.532 122.773 120.200 0.068 0.000 3.056 2286 E HA -0.109 4.241 4.350 -0.000 0.000 0.264 2286 E C 0.115 176.696 176.600 -0.032 0.000 0.899 2286 E CA 0.074 56.498 56.400 0.039 0.000 0.966 2286 E CB 0.052 29.762 29.700 0.018 0.000 0.913 2286 E HN 0.296 nan 8.360 nan 0.000 0.522 2287 L N 4.731 125.880 121.223 -0.123 0.000 2.492 2287 L HA 0.105 4.445 4.340 -0.000 0.000 0.280 2287 L C -1.982 174.797 176.870 -0.152 0.000 1.240 2287 L CA -1.112 53.608 54.840 -0.201 0.000 0.831 2287 L CB -0.711 41.104 42.059 -0.407 0.000 1.100 2287 L HN 0.380 nan 8.230 nan 0.000 0.505 2288 P HA 0.070 nan 4.420 nan 0.000 0.268 2288 P C -2.040 175.166 177.300 -0.156 0.000 1.208 2288 P CA -0.883 62.145 63.100 -0.120 0.000 0.777 2288 P CB 0.076 31.712 31.700 -0.107 0.000 0.875 2289 P HA -0.265 nan 4.420 nan 0.000 0.213 2289 P C 1.183 178.322 177.300 -0.269 0.000 1.176 2289 P CA 1.732 64.733 63.100 -0.165 0.000 0.919 2289 P CB -0.133 31.509 31.700 -0.097 0.000 0.791 2290 E N -0.632 119.440 120.200 -0.214 0.000 2.095 2290 E HA -0.277 4.073 4.350 -0.000 0.000 0.212 2290 E C 2.152 178.516 176.600 -0.392 0.000 1.044 2290 E CA 1.803 58.043 56.400 -0.265 0.000 0.857 2290 E CB -0.786 28.856 29.700 -0.098 0.000 0.764 2290 E HN 0.103 nan 8.360 nan 0.000 0.462 2291 R N 0.517 120.834 120.500 -0.306 0.000 2.070 2291 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 2291 R C 2.246 178.327 176.300 -0.364 0.000 1.138 2291 R CA 1.639 57.534 56.100 -0.342 0.000 0.936 2291 R CB -0.454 29.648 30.300 -0.330 0.000 0.839 2291 R HN 0.194 nan 8.270 nan 0.000 0.429 2292 N N 0.190 118.692 118.700 -0.331 0.000 2.049 2292 N HA -0.287 4.453 4.740 -0.000 0.000 0.198 2292 N C 1.686 177.000 175.510 -0.326 0.000 1.030 2292 N CA 2.172 55.043 53.050 -0.299 0.000 0.870 2292 N CB -0.141 38.202 38.487 -0.239 0.000 1.045 2292 N HN 0.255 nan 8.380 nan 0.000 0.434 2293 Q N 0.337 119.876 119.800 -0.435 0.000 2.084 2293 Q HA -0.048 4.292 4.340 -0.000 0.000 0.202 2293 Q C 2.077 177.752 176.000 -0.542 0.000 0.978 2293 Q CA 1.072 56.539 55.803 -0.560 0.000 0.844 2293 Q CB -0.494 27.649 28.738 -0.990 0.000 0.898 2293 Q HN 0.423 nan 8.270 nan 0.000 0.426 2294 L N -0.157 120.732 121.223 -0.558 0.000 2.093 2294 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 2294 L C 1.702 178.381 176.870 -0.317 0.000 1.085 2294 L CA 1.524 56.140 54.840 -0.374 0.000 0.755 2294 L CB -0.398 41.483 42.059 -0.296 0.000 0.904 2294 L HN 0.335 nan 8.230 nan 0.000 0.435 2295 I N 0.286 120.676 120.570 -0.302 0.000 2.953 2295 I HA -0.240 3.930 4.170 -0.000 0.000 0.271 2295 I C 1.368 177.355 176.117 -0.216 0.000 1.286 2295 I CA 1.011 62.164 61.300 -0.243 0.000 1.449 2295 I CB -0.536 37.335 38.000 -0.215 0.000 1.086 2295 I HN 0.582 nan 8.210 nan 0.000 0.483 2296 Q N 1.079 120.741 119.800 -0.230 0.000 2.165 2296 Q HA 0.248 4.588 4.340 -0.000 0.000 0.245 2296 Q C 0.659 176.532 176.000 -0.210 0.000 0.841 2296 Q CA -0.289 55.397 55.803 -0.195 0.000 1.078 2296 Q CB 0.452 29.092 28.738 -0.164 0.000 1.169 2296 Q HN 0.472 nan 8.270 nan 0.000 0.475 2297 R N 0.525 120.863 120.500 -0.270 0.000 2.549 2297 R HA 0.340 4.680 4.340 -0.000 0.000 0.399 2297 R C -0.338 175.674 176.300 -0.481 0.000 0.964 2297 R CA -0.176 55.740 56.100 -0.307 0.000 1.173 2297 R CB 0.847 31.007 30.300 -0.234 0.000 1.535 2297 R HN 0.152 nan 8.270 nan 0.000 0.551 2298 L N 2.901 123.831 121.223 -0.488 0.000 2.502 2298 L HA 0.427 4.767 4.340 -0.000 0.000 0.247 2298 L C -2.561 174.011 176.870 -0.496 0.000 1.180 2298 L CA -1.876 52.597 54.840 -0.612 0.000 0.956 2298 L CB 1.223 42.942 42.059 -0.567 0.000 1.282 2298 L HN -0.294 nan 8.230 nan 0.000 0.470 2299 P HA 0.118 nan 4.420 nan 0.000 0.272 2299 P C -0.352 176.733 177.300 -0.358 0.000 1.223 2299 P CA -0.131 62.671 63.100 -0.496 0.000 0.784 2299 P CB 0.590 31.911 31.700 -0.631 0.000 0.923 2300 M N 1.680 121.203 119.600 -0.129 0.000 2.209 2300 M HA 0.311 4.791 4.480 -0.000 0.000 0.355 2300 M C 1.077 177.427 176.300 0.083 0.000 1.171 2300 M CA -0.313 54.984 55.300 -0.005 0.000 1.069 2300 M CB 0.725 33.336 32.600 0.018 0.000 1.622 2300 M HN 0.419 nan 8.290 nan 0.000 0.459 2301 G N 2.185 111.065 108.800 0.134 0.000 2.712 2301 G HA2 0.446 4.406 3.960 -0.000 0.000 0.258 2301 G HA3 0.446 4.406 3.960 -0.000 0.000 0.258 2301 G C -0.736 174.164 174.900 -0.001 0.000 1.241 2301 G CA -0.406 44.748 45.100 0.089 0.000 0.923 2301 G HN 0.863 nan 8.290 nan 0.000 0.548 2302 A N -1.020 121.767 122.820 -0.055 0.000 2.330 2302 A HA 0.708 5.028 4.320 -0.000 0.000 0.313 2302 A C -0.697 176.827 177.584 -0.100 0.000 1.124 2302 A CA -0.539 51.475 52.037 -0.039 0.000 0.774 2302 A CB 1.824 20.819 19.000 -0.007 0.000 1.198 2302 A HN 1.847 nan 8.150 nan 0.000 0.465 2303 V N 3.310 123.198 119.914 -0.043 0.000 3.147 2303 V HA 0.679 4.799 4.120 -0.000 0.000 0.299 2303 V C -1.902 174.292 176.094 0.166 0.000 1.302 2303 V CA -0.670 61.606 62.300 -0.041 0.000 1.015 2303 V CB 2.097 33.729 31.823 -0.319 0.000 1.086 2303 V HN 0.781 nan 8.190 nan 0.000 0.437 2304 I N 4.437 125.139 120.570 0.221 0.000 2.468 2304 I HA 0.470 4.640 4.170 -0.000 0.000 0.284 2304 I C -0.346 176.007 176.117 0.393 0.000 1.038 2304 I CA -0.597 60.876 61.300 0.288 0.000 1.083 2304 I CB 1.740 39.856 38.000 0.194 0.000 1.223 2304 I HN 0.566 nan 8.210 nan 0.000 0.443 2305 K N 5.425 126.117 120.400 0.487 0.000 2.297 2305 K HA 0.525 4.845 4.320 -0.000 0.000 0.286 2305 K C -1.245 175.486 176.600 0.219 0.000 1.053 2305 K CA -0.183 56.395 56.287 0.485 0.000 0.940 2305 K CB 0.783 33.635 32.500 0.587 0.000 1.019 2305 K HN 0.670 nan 8.250 nan 0.000 0.475 2306 C N 5.238 124.605 119.300 0.111 0.000 2.397 2306 C HA 0.486 4.946 4.460 -0.000 0.000 0.325 2306 C C -0.938 174.060 174.990 0.013 0.000 1.201 2306 C CA -1.109 57.950 59.018 0.067 0.000 1.377 2306 C CB 0.673 28.549 27.740 0.228 0.000 2.038 2306 C HN 0.774 nan 8.230 nan 0.000 0.457 2307 M N 3.218 122.771 119.600 -0.080 0.000 2.294 2307 M HA 0.576 5.056 4.480 -0.000 0.000 0.335 2307 M C -0.447 175.808 176.300 -0.075 0.000 1.079 2307 M CA -0.238 54.969 55.300 -0.154 0.000 0.982 2307 M CB 1.500 33.971 32.600 -0.214 0.000 1.651 2307 M HN 0.411 nan 8.290 nan 0.000 0.437 2308 V N 4.320 124.187 119.914 -0.079 0.000 2.448 2308 V HA 0.469 4.589 4.120 -0.000 0.000 0.295 2308 V C -1.170 174.792 176.094 -0.220 0.000 1.025 2308 V CA -0.819 61.511 62.300 0.050 0.000 0.859 2308 V CB 1.063 33.013 31.823 0.211 0.000 0.988 2308 V HN 0.629 nan 8.190 nan 0.000 0.431 2309 Y N 4.125 124.378 120.300 -0.077 0.000 2.342 2309 Y HA 0.686 5.236 4.550 -0.000 0.000 0.334 2309 Y C -0.264 175.546 175.900 -0.150 0.000 1.067 2309 Y CA -0.569 57.532 58.100 0.002 0.000 1.128 2309 Y CB 1.241 39.751 38.460 0.082 0.000 1.200 2309 Y HN 0.533 nan 8.280 nan 0.000 0.464 2310 Y N 0.341 120.853 120.300 0.353 0.000 2.630 2310 Y HA 0.286 4.836 4.550 -0.000 0.000 0.337 2310 Y C 1.072 177.116 175.900 0.240 0.000 1.051 2310 Y CA -1.499 56.802 58.100 0.335 0.000 1.121 2310 Y CB 1.664 40.388 38.460 0.439 0.000 1.299 2310 Y HN 0.538 nan 8.280 nan 0.000 0.498 2311 K N -0.062 120.555 120.400 0.362 0.000 2.365 2311 K HA 0.098 4.418 4.320 -0.000 0.000 0.197 2311 K C -0.142 176.537 176.600 0.131 0.000 1.042 2311 K CA 0.990 57.401 56.287 0.207 0.000 0.987 2311 K CB 0.611 33.207 32.500 0.160 0.000 0.779 2311 K HN 0.645 nan 8.250 nan 0.000 0.484 2312 E N -0.064 120.214 120.200 0.129 0.000 2.321 2312 E HA 0.357 4.707 4.350 -0.000 0.000 0.278 2312 E C -1.507 174.879 176.600 -0.357 0.000 0.902 2312 E CA -0.695 55.670 56.400 -0.058 0.000 0.758 2312 E CB 1.859 31.550 29.700 -0.015 0.000 1.213 2312 E HN 0.210 nan 8.360 nan 0.000 0.426 2313 A N 4.717 127.113 122.820 -0.707 0.000 3.046 2313 A HA 0.088 4.408 4.320 -0.000 0.000 0.259 2313 A C 0.812 177.407 177.584 -1.648 0.000 1.843 2313 A CA -0.071 50.881 52.037 -1.809 0.000 1.451 2313 A CB -1.374 16.830 19.000 -1.326 0.000 1.025 2313 A HN 0.621 nan 8.150 nan 0.000 0.625 2314 F N -1.232 118.203 119.950 -0.858 0.000 2.271 2314 F HA -0.236 4.291 4.527 -0.000 0.000 0.302 2314 F C 1.443 177.095 175.800 -0.247 0.000 1.063 2314 F CA 0.832 58.596 58.000 -0.393 0.000 1.362 2314 F CB -1.316 37.578 39.000 -0.176 0.000 1.060 2314 F HN 0.669 nan 8.300 nan 0.000 0.521 2315 W N 1.067 122.215 121.300 -0.253 0.000 2.519 2315 W HA 0.164 4.824 4.660 0.000 0.000 0.266 2315 W C 1.772 178.281 176.519 -0.016 0.000 1.253 2315 W CA 0.560 57.895 57.345 -0.016 0.000 1.274 2315 W CB -0.892 28.484 29.460 -0.139 0.000 1.114 2315 W HN -0.103 nan 8.180 nan 0.000 0.596 2316 K N 1.178 121.366 120.400 -0.354 0.000 2.288 2316 K HA -0.038 4.282 4.320 -0.000 0.000 0.201 2316 K C 1.698 178.220 176.600 -0.130 0.000 1.048 2316 K CA 1.065 57.242 56.287 -0.184 0.000 0.956 2316 K CB -0.189 32.132 32.500 -0.298 0.000 0.746 2316 K HN 0.174 nan 8.250 nan 0.000 0.461 2317 K N 0.702 121.018 120.400 -0.141 0.000 2.504 2317 K HA -0.058 4.262 4.320 -0.000 0.000 0.195 2317 K C 0.838 177.368 176.600 -0.117 0.000 1.036 2317 K CA 0.789 57.015 56.287 -0.102 0.000 0.984 2317 K CB 0.192 32.650 32.500 -0.071 0.000 0.788 2317 K HN 0.038 nan 8.250 nan 0.000 0.488 2318 K N 0.719 121.017 120.400 -0.171 0.000 2.564 2318 K HA 0.009 4.329 4.320 -0.000 0.000 0.205 2318 K C -0.816 175.521 176.600 -0.439 0.000 1.053 2318 K CA -0.059 56.002 56.287 -0.377 0.000 1.072 2318 K CB 0.640 32.756 32.500 -0.641 0.000 0.822 2318 K HN -0.038 nan 8.250 nan 0.000 0.497 2319 D N 1.134 121.439 120.400 -0.159 0.000 2.689 2319 D HA -0.241 4.399 4.640 -0.000 0.000 0.237 2319 D C -1.422 174.968 176.300 0.149 0.000 1.148 2319 D CA 1.091 55.076 54.000 -0.025 0.000 0.656 2319 D CB -1.230 39.556 40.800 -0.025 0.000 1.050 2319 D HN 0.392 nan 8.370 nan 0.000 0.426 2320 Y N -0.286 120.065 120.300 0.085 0.000 2.361 2320 Y HA 0.424 4.974 4.550 -0.000 0.000 0.337 2320 Y C 1.054 177.063 175.900 0.181 0.000 0.965 2320 Y CA -1.498 56.664 58.100 0.102 0.000 1.091 2320 Y CB 1.200 39.748 38.460 0.146 0.000 1.182 2320 Y HN 0.294 nan 8.280 nan 0.000 0.450 2321 C N -0.265 119.169 119.300 0.224 0.000 2.382 2321 C HA 0.598 5.058 4.460 -0.000 0.000 0.363 2321 C C 1.844 176.804 174.990 -0.050 0.000 1.213 2321 C CA 0.021 59.150 59.018 0.185 0.000 2.363 2321 C CB 0.634 28.409 27.740 0.058 0.000 2.397 2321 C HN 1.110 nan 8.230 nan 0.000 0.573 2322 G N -0.078 108.565 108.800 -0.262 0.000 2.562 2322 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.223 2322 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.223 2322 G C 0.805 175.430 174.900 -0.458 0.000 1.102 2322 G CA 1.206 45.879 45.100 -0.712 0.000 0.742 2322 G HN 1.159 nan 8.290 nan 0.000 0.587 2323 C N 1.251 120.393 119.300 -0.264 0.000 2.633 2323 C HA 0.587 5.047 4.460 -0.000 0.000 0.415 2323 C C 0.307 175.206 174.990 -0.152 0.000 1.393 2323 C CA -0.328 58.572 59.018 -0.196 0.000 1.700 2323 C CB -1.385 26.265 27.740 -0.151 0.000 2.541 2323 C HN 0.397 nan 8.230 nan 0.000 0.603 2324 M N 6.839 126.388 119.600 -0.084 0.000 2.433 2324 M HA 0.492 4.972 4.480 -0.000 0.000 0.290 2324 M C -0.898 175.472 176.300 0.116 0.000 1.173 2324 M CA -0.263 55.047 55.300 0.017 0.000 0.905 2324 M CB 1.906 34.498 32.600 -0.014 0.000 1.692 2324 M HN 0.389 nan 8.290 nan 0.000 0.462 2325 I N 4.207 124.906 120.570 0.215 0.000 2.428 2325 I HA 0.402 4.572 4.170 -0.000 0.000 0.279 2325 I C -0.764 175.473 176.117 0.201 0.000 1.040 2325 I CA -0.386 61.053 61.300 0.232 0.000 1.171 2325 I CB 0.645 38.842 38.000 0.329 0.000 1.312 2325 I HN 0.605 nan 8.210 nan 0.000 0.470 2326 I N 5.438 126.113 120.570 0.175 0.000 2.337 2326 I HA 0.171 4.341 4.170 -0.000 0.000 0.291 2326 I C 0.498 176.701 176.117 0.143 0.000 1.046 2326 I CA -0.052 61.368 61.300 0.200 0.000 1.324 2326 I CB 0.833 38.917 38.000 0.139 0.000 1.409 2326 I HN 0.614 nan 8.210 nan 0.000 0.494 2327 E N 6.394 126.676 120.200 0.137 0.000 2.267 2327 E HA 0.288 4.638 4.350 -0.000 0.000 0.241 2327 E C -1.410 175.248 176.600 0.097 0.000 0.950 2327 E CA -0.388 56.033 56.400 0.036 0.000 0.776 2327 E CB 0.648 30.277 29.700 -0.118 0.000 1.207 2327 E HN 0.624 nan 8.360 nan 0.000 0.436 2328 D N 3.011 123.488 120.400 0.128 0.000 2.300 2328 D HA 0.020 4.660 4.640 -0.000 0.000 0.218 2328 D C 0.628 176.991 176.300 0.105 0.000 1.326 2328 D CA -0.330 53.753 54.000 0.139 0.000 0.942 2328 D CB 0.947 41.909 40.800 0.270 0.000 1.495 2328 D HN 0.328 nan 8.370 nan 0.000 0.545 2329 E N 2.114 122.361 120.200 0.078 0.000 2.340 2329 E HA -0.369 3.981 4.350 -0.000 0.000 0.246 2329 E C 1.266 177.898 176.600 0.054 0.000 1.077 2329 E CA 2.357 58.794 56.400 0.063 0.000 1.060 2329 E CB 0.148 29.880 29.700 0.053 0.000 0.935 2329 E HN 0.598 nan 8.360 nan 0.000 0.495 2330 E N 0.372 120.604 120.200 0.055 0.000 2.049 2330 E HA -0.145 4.205 4.350 -0.000 0.000 0.198 2330 E C 0.769 177.382 176.600 0.022 0.000 1.007 2330 E CA 1.060 57.482 56.400 0.037 0.000 0.809 2330 E CB -0.928 28.797 29.700 0.041 0.000 0.749 2330 E HN 0.418 nan 8.360 nan 0.000 0.450 2331 A N 2.717 125.554 122.820 0.028 0.000 2.580 2331 A HA 0.030 4.350 4.320 -0.000 0.000 0.244 2331 A C -1.465 176.113 177.584 -0.010 0.000 1.045 2331 A CA -0.624 51.406 52.037 -0.013 0.000 0.761 2331 A CB -0.031 18.964 19.000 -0.009 0.000 0.962 2331 A HN -0.048 nan 8.150 nan 0.000 0.512 2332 P HA -0.060 nan 4.420 nan 0.000 0.214 2332 P C 0.089 177.390 177.300 0.002 0.000 1.162 2332 P CA 0.767 63.850 63.100 -0.028 0.000 0.879 2332 P CB 0.051 31.708 31.700 -0.072 0.000 0.786 2333 I N -1.127 119.429 120.570 -0.024 0.000 2.396 2333 I HA 0.206 4.376 4.170 -0.000 0.000 0.292 2333 I C 1.285 177.451 176.117 0.083 0.000 0.999 2333 I CA -0.348 60.980 61.300 0.047 0.000 1.310 2333 I CB 0.839 38.865 38.000 0.044 0.000 1.404 2333 I HN -0.118 nan 8.210 nan 0.000 0.496 2334 A N 6.075 128.974 122.820 0.132 0.000 1.862 2334 A HA 0.341 4.661 4.320 -0.000 0.000 0.211 2334 A C 0.504 178.181 177.584 0.155 0.000 1.220 2334 A CA 1.103 53.225 52.037 0.141 0.000 0.616 2334 A CB -0.229 18.866 19.000 0.159 0.000 0.878 2334 A HN 0.601 nan 8.150 nan 0.000 0.453 2335 I N -2.626 118.048 120.570 0.174 0.000 2.934 2335 I HA 0.709 4.879 4.170 -0.000 0.000 0.306 2335 I C -0.275 175.875 176.117 0.054 0.000 1.110 2335 I CA -0.765 60.611 61.300 0.127 0.000 1.019 2335 I CB 1.675 39.750 38.000 0.125 0.000 1.227 2335 I HN 0.205 nan 8.210 nan 0.000 0.434 2336 T N 1.110 115.643 114.554 -0.035 0.000 2.841 2336 T HA 0.896 5.246 4.350 -0.000 0.000 0.296 2336 T C -0.944 173.625 174.700 -0.219 0.000 1.166 2336 T CA -0.833 61.177 62.100 -0.151 0.000 1.007 2336 T CB 1.488 70.248 68.868 -0.181 0.000 1.253 2336 T HN 0.738 nan 8.240 nan 0.000 0.511 2337 L N 0.411 121.470 121.223 -0.273 0.000 2.469 2337 L HA 0.486 4.826 4.340 -0.000 0.000 0.256 2337 L C -1.151 175.558 176.870 -0.267 0.000 1.006 2337 L CA -1.159 53.539 54.840 -0.237 0.000 0.832 2337 L CB 2.431 44.389 42.059 -0.169 0.000 1.421 2337 L HN 0.815 nan 8.230 nan 0.000 0.410 2338 D N 1.000 121.281 120.400 -0.198 0.000 2.339 2338 D HA 0.011 4.651 4.640 -0.000 0.000 0.256 2338 D C -0.491 175.789 176.300 -0.035 0.000 1.214 2338 D CA 0.290 54.205 54.000 -0.142 0.000 0.877 2338 D CB 1.316 42.137 40.800 0.035 0.000 1.111 2338 D HN 0.514 nan 8.370 nan 0.000 0.478 2339 D N 2.596 122.949 120.400 -0.078 0.000 2.525 2339 D HA 0.081 4.721 4.640 -0.000 0.000 0.229 2339 D C -0.160 176.125 176.300 -0.025 0.000 1.202 2339 D CA -0.224 53.749 54.000 -0.045 0.000 0.828 2339 D CB 0.396 41.116 40.800 -0.134 0.000 1.008 2339 D HN 0.197 nan 8.370 nan 0.000 0.493 2340 T N 0.902 115.486 114.554 0.050 0.000 2.802 2340 T HA 0.085 4.435 4.350 -0.000 0.000 0.305 2340 T C 0.479 175.177 174.700 -0.004 0.000 1.053 2340 T CA -0.243 61.891 62.100 0.056 0.000 1.058 2340 T CB 0.776 69.710 68.868 0.110 0.000 0.988 2340 T HN -0.073 nan 8.240 nan 0.000 0.539 2341 K N 2.255 122.613 120.400 -0.069 0.000 2.126 2341 K HA 0.202 4.522 4.320 -0.000 0.000 0.257 2341 K C -1.659 174.846 176.600 -0.158 0.000 1.007 2341 K CA -2.342 53.839 56.287 -0.176 0.000 0.928 2341 K CB 0.136 32.541 32.500 -0.158 0.000 1.013 2341 K HN 0.216 nan 8.250 nan 0.000 0.473 2342 P HA -0.201 nan 4.420 nan 0.000 0.216 2342 P C 0.339 177.596 177.300 -0.072 0.000 1.157 2342 P CA 1.518 64.494 63.100 -0.207 0.000 0.880 2342 P CB 0.101 31.623 31.700 -0.295 0.000 0.791 2343 D N -1.407 118.959 120.400 -0.057 0.000 2.400 2343 D HA 0.038 4.678 4.640 -0.000 0.000 0.243 2343 D C 1.244 177.531 176.300 -0.022 0.000 1.184 2343 D CA 0.531 54.517 54.000 -0.024 0.000 0.853 2343 D CB -1.156 39.638 40.800 -0.009 0.000 0.944 2343 D HN 0.255 nan 8.370 nan 0.000 0.501 2344 G N 0.444 109.228 108.800 -0.026 0.000 2.205 2344 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.269 2344 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.269 2344 G C 0.426 175.315 174.900 -0.017 0.000 0.977 2344 G CA 0.687 45.773 45.100 -0.023 0.000 0.652 2344 G HN 0.677 nan 8.290 nan 0.000 0.539 2345 S N -0.205 115.486 115.700 -0.015 0.000 2.549 2345 S HA 0.479 4.949 4.470 -0.000 0.000 0.283 2345 S C 1.143 175.752 174.600 0.015 0.000 1.320 2345 S CA 0.318 58.517 58.200 -0.003 0.000 1.058 2345 S CB 0.048 63.245 63.200 -0.005 0.000 0.882 2345 S HN 1.326 nan 8.310 nan 0.000 0.498 2346 L N 3.477 124.731 121.223 0.051 0.000 3.721 2346 L HA -0.095 4.245 4.340 -0.000 0.000 0.625 2346 L C -2.097 174.884 176.870 0.184 0.000 1.186 2346 L CA -0.508 54.412 54.840 0.133 0.000 0.961 2346 L CB -1.479 40.653 42.059 0.121 0.000 1.418 2346 L HN 0.596 nan 8.230 nan 0.000 0.838 2347 P HA 0.377 nan 4.420 nan 0.000 0.268 2347 P C -0.194 177.276 177.300 0.284 0.000 1.205 2347 P CA 0.310 63.515 63.100 0.175 0.000 0.771 2347 P CB 1.719 33.436 31.700 0.028 0.000 0.858 2348 A N 3.377 126.331 122.820 0.223 0.000 2.601 2348 A HA 0.695 5.015 4.320 -0.000 0.000 0.291 2348 A C -1.386 176.086 177.584 -0.188 0.000 1.075 2348 A CA -0.670 51.337 52.037 -0.050 0.000 0.671 2348 A CB 1.027 19.579 19.000 -0.748 0.000 1.277 2348 A HN 0.423 nan 8.150 nan 0.000 0.417 2349 I N 1.942 122.304 120.570 -0.348 0.000 2.436 2349 I HA 0.365 4.535 4.170 -0.000 0.000 0.289 2349 I C -0.318 175.587 176.117 -0.353 0.000 1.010 2349 I CA -0.489 60.503 61.300 -0.512 0.000 1.098 2349 I CB 1.887 39.359 38.000 -0.880 0.000 1.266 2349 I HN 0.690 nan 8.210 nan 0.000 0.434 2350 M N 5.965 125.378 119.600 -0.311 0.000 2.157 2350 M HA 0.585 5.065 4.480 -0.000 0.000 0.354 2350 M C -0.427 175.707 176.300 -0.277 0.000 1.170 2350 M CA -0.138 55.009 55.300 -0.255 0.000 1.060 2350 M CB 0.843 33.309 32.600 -0.223 0.000 1.615 2350 M HN 0.697 nan 8.290 nan 0.000 0.460 2351 G N 4.438 113.118 108.800 -0.201 0.000 2.574 2351 G HA2 0.719 4.679 3.960 -0.000 0.000 0.299 2351 G HA3 0.719 4.679 3.960 -0.000 0.000 0.299 2351 G C -1.972 172.810 174.900 -0.195 0.000 1.298 2351 G CA -0.552 44.471 45.100 -0.129 0.000 0.952 2351 G HN 0.665 nan 8.290 nan 0.000 0.477 2352 F N -0.017 120.006 119.950 0.121 0.000 2.480 2352 F HA 0.560 5.087 4.527 -0.000 0.000 0.329 2352 F C 0.297 176.143 175.800 0.078 0.000 1.091 2352 F CA -0.848 57.217 58.000 0.108 0.000 0.972 2352 F CB 2.591 41.659 39.000 0.113 0.000 1.150 2352 F HN 0.020 nan 8.300 nan 0.000 0.467 2353 I N 5.136 125.889 120.570 0.305 0.000 2.354 2353 I HA 0.332 4.502 4.170 -0.000 0.000 0.286 2353 I C -0.728 175.450 176.117 0.101 0.000 1.007 2353 I CA -0.314 61.082 61.300 0.161 0.000 1.167 2353 I CB 0.951 39.030 38.000 0.131 0.000 1.320 2353 I HN 0.362 nan 8.210 nan 0.000 0.458 2354 L N 4.997 126.255 121.223 0.059 0.000 2.313 2354 L HA 0.763 5.103 4.340 -0.000 0.000 0.268 2354 L C 1.200 178.057 176.870 -0.022 0.000 1.010 2354 L CA -0.618 54.211 54.840 -0.020 0.000 0.814 2354 L CB 1.270 43.307 42.059 -0.036 0.000 1.304 2354 L HN 0.765 nan 8.230 nan 0.000 0.441 2355 A N 1.783 124.564 122.820 -0.064 0.000 5.389 2355 A HA -0.381 3.939 4.320 -0.000 0.000 0.356 2355 A C 1.820 179.389 177.584 -0.025 0.000 1.646 2355 A CA 2.736 54.736 52.037 -0.062 0.000 0.770 2355 A CB -1.327 17.627 19.000 -0.078 0.000 1.478 2355 A HN 1.031 nan 8.150 nan 0.000 0.424 2356 R N -0.385 120.106 120.500 -0.015 0.000 2.134 2356 R HA -0.232 4.108 4.340 -0.000 0.000 0.248 2356 R C 1.981 178.290 176.300 0.014 0.000 1.143 2356 R CA 2.182 58.287 56.100 0.007 0.000 0.957 2356 R CB -0.615 29.698 30.300 0.022 0.000 0.867 2356 R HN 0.712 nan 8.270 nan 0.000 0.441 2357 K N 0.690 121.101 120.400 0.019 0.000 2.103 2357 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 2357 K C 2.416 179.033 176.600 0.029 0.000 1.048 2357 K CA 1.334 57.637 56.287 0.026 0.000 0.930 2357 K CB -0.295 32.225 32.500 0.035 0.000 0.716 2357 K HN 0.357 nan 8.250 nan 0.000 0.444 2358 A N 2.009 124.845 122.820 0.027 0.000 1.859 2358 A HA -0.327 3.993 4.320 -0.000 0.000 0.218 2358 A C 1.978 179.583 177.584 0.035 0.000 1.209 2358 A CA 2.417 54.475 52.037 0.036 0.000 0.639 2358 A CB -0.991 18.023 19.000 0.023 0.000 0.835 2358 A HN 0.461 nan 8.150 nan 0.000 0.450 2359 D N -1.461 118.954 120.400 0.025 0.000 2.144 2359 D HA -0.180 4.460 4.640 -0.000 0.000 0.199 2359 D C 2.120 178.433 176.300 0.022 0.000 0.984 2359 D CA 1.427 55.440 54.000 0.023 0.000 0.834 2359 D CB -0.135 40.675 40.800 0.017 0.000 0.955 2359 D HN 0.436 nan 8.370 nan 0.000 0.465 2360 R N -0.091 120.421 120.500 0.021 0.000 2.082 2360 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 2360 R C 2.403 178.715 176.300 0.020 0.000 1.136 2360 R CA 1.394 57.505 56.100 0.018 0.000 0.935 2360 R CB -0.451 29.859 30.300 0.017 0.000 0.842 2360 R HN 0.293 nan 8.270 nan 0.000 0.430 2361 L N 0.311 121.549 121.223 0.025 0.000 2.131 2361 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 2361 L C 2.596 179.487 176.870 0.036 0.000 1.092 2361 L CA 1.029 55.885 54.840 0.027 0.000 0.759 2361 L CB -0.461 41.616 42.059 0.030 0.000 0.903 2361 L HN 0.324 nan 8.230 nan 0.000 0.435 2362 A N 0.001 122.844 122.820 0.039 0.000 2.125 2362 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 2362 A C 2.176 179.777 177.584 0.029 0.000 1.156 2362 A CA 1.260 53.321 52.037 0.040 0.000 0.671 2362 A CB -0.329 18.693 19.000 0.036 0.000 0.794 2362 A HN 0.358 nan 8.150 nan 0.000 0.459 2363 K N -0.665 119.749 120.400 0.023 0.000 2.486 2363 K HA 0.191 4.511 4.320 -0.000 0.000 0.194 2363 K C 0.180 176.792 176.600 0.021 0.000 1.033 2363 K CA 0.058 56.355 56.287 0.016 0.000 1.004 2363 K CB -0.117 32.390 32.500 0.012 0.000 0.798 2363 K HN 0.450 nan 8.250 nan 0.000 0.495 2364 L N 0.149 121.392 121.223 0.034 0.000 2.448 2364 L HA 0.195 4.535 4.340 -0.000 0.000 0.258 2364 L C 0.598 177.525 176.870 0.096 0.000 1.104 2364 L CA -0.999 53.873 54.840 0.054 0.000 0.800 2364 L CB 0.262 42.346 42.059 0.042 0.000 1.241 2364 L HN 0.128 nan 8.230 nan 0.000 0.472 2365 H N 0.770 119.837 119.070 -0.005 0.000 2.525 2365 H HA 0.087 4.643 4.556 -0.000 0.000 0.339 2365 H C 0.529 175.858 175.328 0.001 0.000 1.109 2365 H CA -0.045 56.003 56.048 -0.000 0.000 1.352 2365 H CB 1.270 31.028 29.762 -0.006 0.000 1.461 2365 H HN 0.474 nan 8.280 nan 0.000 0.533 2366 K N 2.689 123.426 120.400 0.562 0.000 2.071 2366 K HA -0.251 4.069 4.320 -0.000 0.000 0.217 2366 K C 0.917 177.528 176.600 0.018 0.000 1.054 2366 K CA 2.343 58.782 56.287 0.253 0.000 0.937 2366 K CB 0.107 32.773 32.500 0.277 0.000 0.719 2366 K HN 0.648 nan 8.250 nan 0.000 0.454 2367 D N 0.658 120.934 120.400 -0.208 0.000 2.092 2367 D HA -0.194 4.446 4.640 -0.000 0.000 0.193 2367 D C 2.033 178.199 176.300 -0.224 0.000 0.994 2367 D CA 1.188 55.017 54.000 -0.286 0.000 0.828 2367 D CB -0.317 40.220 40.800 -0.438 0.000 0.963 2367 D HN 0.207 nan 8.370 nan 0.000 0.450 2368 I N 1.082 121.548 120.570 -0.172 0.000 2.118 2368 I HA -0.265 3.905 4.170 -0.000 0.000 0.241 2368 I C 2.565 178.615 176.117 -0.113 0.000 1.070 2368 I CA 1.060 62.295 61.300 -0.107 0.000 1.327 2368 I CB -1.102 36.878 38.000 -0.034 0.000 1.034 2368 I HN 0.083 nan 8.210 nan 0.000 0.405 2369 R N 1.343 121.796 120.500 -0.077 0.000 2.115 2369 R HA -0.270 4.070 4.340 -0.000 0.000 0.239 2369 R C 2.395 178.572 176.300 -0.205 0.000 1.133 2369 R CA 2.460 58.509 56.100 -0.084 0.000 0.935 2369 R CB -0.343 29.956 30.300 -0.002 0.000 0.853 2369 R HN 0.285 nan 8.270 nan 0.000 0.433 2370 K N 0.325 120.513 120.400 -0.353 0.000 2.034 2370 K HA -0.272 4.048 4.320 -0.000 0.000 0.214 2370 K C 2.359 178.724 176.600 -0.392 0.000 1.051 2370 K CA 2.138 58.031 56.287 -0.656 0.000 0.931 2370 K CB -0.283 31.733 32.500 -0.808 0.000 0.715 2370 K HN 0.182 nan 8.250 nan 0.000 0.446 2371 R N 0.611 120.945 120.500 -0.277 0.000 2.103 2371 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 2371 R C 2.170 178.362 176.300 -0.180 0.000 1.132 2371 R CA 2.070 58.050 56.100 -0.201 0.000 0.925 2371 R CB -0.163 30.040 30.300 -0.161 0.000 0.842 2371 R HN 0.100 nan 8.270 nan 0.000 0.430 2372 K N 0.541 120.843 120.400 -0.162 0.000 2.071 2372 K HA -0.228 4.092 4.320 -0.000 0.000 0.217 2372 K C 2.144 178.621 176.600 -0.205 0.000 1.054 2372 K CA 2.077 58.276 56.287 -0.147 0.000 0.937 2372 K CB -0.649 31.781 32.500 -0.116 0.000 0.719 2372 K HN 0.398 nan 8.250 nan 0.000 0.454 2373 I N 0.648 121.060 120.570 -0.264 0.000 2.127 2373 I HA -0.371 3.799 4.170 -0.000 0.000 0.241 2373 I C 2.674 178.505 176.117 -0.476 0.000 1.075 2373 I CA 1.268 62.308 61.300 -0.433 0.000 1.334 2373 I CB -0.608 37.158 38.000 -0.389 0.000 1.040 2373 I HN 0.137 nan 8.210 nan 0.000 0.405 2374 C N 1.002 120.171 119.300 -0.218 0.000 2.413 2374 C HA -0.166 4.294 4.460 -0.000 0.000 0.277 2374 C C 2.672 177.655 174.990 -0.012 0.000 1.228 2374 C CA 0.951 59.974 59.018 0.008 0.000 1.731 2374 C CB -1.234 26.521 27.740 0.025 0.000 2.042 2374 C HN 0.514 nan 8.230 nan 0.000 0.468 2375 E N 0.494 120.646 120.200 -0.080 0.000 2.147 2375 E HA -0.278 4.072 4.350 -0.000 0.000 0.199 2375 E C 1.915 178.469 176.600 -0.077 0.000 1.005 2375 E CA 1.338 57.699 56.400 -0.064 0.000 0.810 2375 E CB -0.354 29.299 29.700 -0.079 0.000 0.736 2375 E HN 0.575 nan 8.360 nan 0.000 0.460 2376 L N 0.260 121.389 121.223 -0.157 0.000 1.973 2376 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 2376 L C 2.091 178.909 176.870 -0.087 0.000 1.073 2376 L CA 1.732 56.452 54.840 -0.200 0.000 0.746 2376 L CB -0.851 41.019 42.059 -0.316 0.000 0.891 2376 L HN 0.022 nan 8.230 nan 0.000 0.433 2377 Y N 0.570 120.842 120.300 -0.047 0.000 2.219 2377 Y HA -0.288 4.262 4.550 -0.000 0.000 0.283 2377 Y C 2.542 178.460 175.900 0.030 0.000 1.191 2377 Y CA 0.861 58.959 58.100 -0.003 0.000 1.199 2377 Y CB -1.781 36.728 38.460 0.081 0.000 0.972 2377 Y HN 0.390 nan 8.280 nan 0.000 0.527 2378 A N 0.437 123.360 122.820 0.171 0.000 1.829 2378 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 2378 A C 2.307 179.937 177.584 0.077 0.000 1.207 2378 A CA 2.135 54.230 52.037 0.097 0.000 0.622 2378 A CB -0.780 18.252 19.000 0.053 0.000 0.846 2378 A HN 0.418 nan 8.150 nan 0.000 0.447 2379 K N -0.474 119.944 120.400 0.030 0.000 2.052 2379 K HA -0.181 4.139 4.320 -0.000 0.000 0.215 2379 K C 1.856 178.491 176.600 0.058 0.000 1.053 2379 K CA 1.808 58.116 56.287 0.035 0.000 0.934 2379 K CB -0.748 31.743 32.500 -0.015 0.000 0.717 2379 K HN 0.304 nan 8.250 nan 0.000 0.450 2380 V N 1.721 121.598 119.914 -0.061 0.000 2.255 2380 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 2380 V C 2.276 178.444 176.094 0.123 0.000 1.051 2380 V CA 1.811 64.111 62.300 0.000 0.000 1.018 2380 V CB -0.519 31.263 31.823 -0.067 0.000 0.641 2380 V HN 0.243 nan 8.190 nan 0.000 0.445 2381 L N -1.186 120.131 121.223 0.155 0.000 2.004 2381 L HA 0.304 4.644 4.340 -0.000 0.000 0.205 2381 L C 1.917 178.990 176.870 0.339 0.000 1.089 2381 L CA 1.709 56.719 54.840 0.284 0.000 0.756 2381 L CB -0.619 41.666 42.059 0.377 0.000 0.900 2381 L HN 0.536 nan 8.230 nan 0.000 0.440 2382 G N -1.593 107.339 108.800 0.220 0.000 3.620 2382 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.112 2382 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.112 2382 G C -0.023 174.912 174.900 0.058 0.000 2.274 2382 G CA 0.053 45.243 45.100 0.150 0.000 1.052 2382 G HN 0.357 nan 8.290 nan 0.000 0.298 2383 S N 1.258 116.964 115.700 0.010 0.000 2.552 2383 S HA 0.255 4.725 4.470 -0.000 0.000 0.289 2383 S C 0.869 175.364 174.600 -0.176 0.000 1.304 2383 S CA 0.772 58.907 58.200 -0.108 0.000 1.063 2383 S CB 1.375 64.460 63.200 -0.193 0.000 0.848 2383 S HN 0.539 nan 8.310 nan 0.000 0.499 2384 Q N 1.257 121.000 119.800 -0.096 0.000 2.515 2384 Q HA -0.058 4.282 4.340 -0.000 0.000 0.212 2384 Q C 1.338 177.337 176.000 -0.001 0.000 0.970 2384 Q CA 0.592 56.392 55.803 -0.005 0.000 0.941 2384 Q CB -0.180 28.612 28.738 0.090 0.000 0.998 2384 Q HN 0.835 nan 8.270 nan 0.000 0.518 2385 E N 0.545 120.572 120.200 -0.288 0.000 2.396 2385 E HA -0.182 4.168 4.350 -0.000 0.000 0.200 2385 E C 1.662 178.065 176.600 -0.329 0.000 1.023 2385 E CA 0.727 56.908 56.400 -0.365 0.000 0.857 2385 E CB -0.010 29.263 29.700 -0.711 0.000 0.775 2385 E HN 0.352 nan 8.360 nan 0.000 0.525 2386 A N 0.617 123.183 122.820 -0.423 0.000 2.119 2386 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 2386 A C 1.942 179.809 177.584 0.472 0.000 1.153 2386 A CA 0.527 52.601 52.037 0.061 0.000 0.692 2386 A CB -0.175 18.894 19.000 0.115 0.000 0.799 2386 A HN 0.160 nan 8.150 nan 0.000 0.458 2387 L N -1.739 119.646 121.223 0.270 0.000 2.554 2387 L HA 0.033 4.373 4.340 -0.000 0.000 0.226 2387 L C -0.124 176.615 176.870 -0.218 0.000 1.137 2387 L CA 0.311 55.149 54.840 -0.004 0.000 0.863 2387 L CB -0.233 41.698 42.059 -0.214 0.000 0.985 2387 L HN 0.425 nan 8.230 nan 0.000 0.451 2388 Y N 0.043 120.476 120.300 0.222 0.000 2.915 2388 Y HA 0.399 4.949 4.550 -0.000 0.000 0.350 2388 Y C -2.290 173.716 175.900 0.177 0.000 1.061 2388 Y CA -3.325 54.873 58.100 0.162 0.000 1.179 2388 Y CB -0.235 38.304 38.460 0.132 0.000 1.180 2388 Y HN -0.048 nan 8.280 nan 0.000 0.605 2389 P HA 0.197 nan 4.420 nan 0.000 0.276 2389 P C 0.664 177.969 177.300 0.009 0.000 1.244 2389 P CA -0.286 62.691 63.100 -0.206 0.000 0.801 2389 P CB 2.025 33.530 31.700 -0.325 0.000 1.006 2390 V N -0.508 119.438 119.914 0.053 0.000 2.436 2390 V HA 0.028 4.148 4.120 -0.000 0.000 0.240 2390 V C 0.995 177.175 176.094 0.144 0.000 1.040 2390 V CA 1.215 63.591 62.300 0.127 0.000 1.052 2390 V CB -0.739 31.186 31.823 0.170 0.000 0.707 2390 V HN 0.616 nan 8.190 nan 0.000 0.469 2391 H N -1.656 117.441 119.070 0.044 0.000 2.865 2391 H HA 0.466 5.022 4.556 -0.000 0.000 0.372 2391 H C -2.084 173.375 175.328 0.219 0.000 1.173 2391 H CA -0.699 55.342 56.048 -0.011 0.000 1.147 2391 H CB 2.526 32.156 29.762 -0.220 0.000 1.805 2391 H HN 0.166 nan 8.280 nan 0.000 0.553 2392 Y N 2.464 122.359 120.300 -0.675 0.000 2.361 2392 Y HA 0.270 4.820 4.550 -0.000 0.000 0.328 2392 Y C -1.550 174.029 175.900 -0.534 0.000 1.044 2392 Y CA -0.655 57.215 58.100 -0.384 0.000 1.085 2392 Y CB 1.339 39.683 38.460 -0.194 0.000 1.194 2392 Y HN 0.550 nan 8.280 nan 0.000 0.438 2393 E N 5.189 124.938 120.200 -0.752 0.000 2.199 2393 E HA 0.340 4.690 4.350 -0.000 0.000 0.269 2393 E C -1.189 175.016 176.600 -0.658 0.000 0.899 2393 E CA -0.546 55.516 56.400 -0.563 0.000 0.772 2393 E CB 2.199 31.808 29.700 -0.153 0.000 1.155 2393 E HN 0.869 nan 8.360 nan 0.000 0.408 2394 E N 0.946 120.861 120.200 -0.475 0.000 2.446 2394 E HA 0.703 5.053 4.350 -0.000 0.000 0.276 2394 E C -1.136 175.412 176.600 -0.087 0.000 0.969 2394 E CA -1.053 55.184 56.400 -0.272 0.000 0.800 2394 E CB 2.126 31.672 29.700 -0.257 0.000 1.341 2394 E HN 0.035 nan 8.360 nan 0.000 0.460 2395 K N 1.228 121.630 120.400 0.005 0.000 2.619 2395 K HA 0.292 4.612 4.320 -0.000 0.000 0.251 2395 K C -1.951 174.635 176.600 -0.024 0.000 0.987 2395 K CA -0.521 55.726 56.287 -0.065 0.000 0.844 2395 K CB 1.472 33.915 32.500 -0.095 0.000 1.237 2395 K HN 0.547 nan 8.250 nan 0.000 0.447 2396 N N 4.215 122.863 118.700 -0.087 0.000 2.462 2396 N HA 0.139 4.879 4.740 -0.000 0.000 0.242 2396 N C -0.317 175.162 175.510 -0.052 0.000 1.010 2396 N CA -0.343 52.717 53.050 0.017 0.000 0.939 2396 N CB 0.319 38.820 38.487 0.023 0.000 1.127 2396 N HN 0.656 nan 8.380 nan 0.000 0.509 2397 W N 2.236 123.572 121.300 0.060 0.000 3.077 2397 W HA 0.102 4.762 4.660 -0.000 0.000 0.245 2397 W C 1.775 178.310 176.519 0.027 0.000 1.316 2397 W CA -0.226 57.150 57.345 0.052 0.000 1.537 2397 W CB -0.204 29.292 29.460 0.060 0.000 1.131 2397 W HN 0.581 nan 8.180 nan 0.000 0.695 2398 C N -0.408 118.996 119.300 0.174 0.000 2.464 2398 C HA -0.084 4.376 4.460 -0.000 0.000 0.278 2398 C C 2.243 177.267 174.990 0.056 0.000 1.375 2398 C CA 0.701 59.781 59.018 0.103 0.000 1.761 2398 C CB -0.916 26.865 27.740 0.068 0.000 1.944 2398 C HN 0.390 nan 8.230 nan 0.000 0.509 2399 E N 0.926 121.141 120.200 0.025 0.000 2.072 2399 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 2399 E C 0.416 177.007 176.600 -0.015 0.000 0.985 2399 E CA 0.434 56.827 56.400 -0.012 0.000 0.801 2399 E CB -0.206 29.467 29.700 -0.044 0.000 0.750 2399 E HN 0.568 nan 8.360 nan 0.000 0.452 2400 E N 1.854 122.052 120.200 -0.004 0.000 2.606 2400 E HA -0.146 4.204 4.350 -0.000 0.000 0.248 2400 E C 0.652 177.265 176.600 0.021 0.000 1.005 2400 E CA 0.493 56.905 56.400 0.021 0.000 0.946 2400 E CB 0.749 30.509 29.700 0.099 0.000 0.928 2400 E HN 0.320 nan 8.360 nan 0.000 0.494 2401 Q N 3.187 122.967 119.800 -0.034 0.000 2.079 2401 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 2401 Q C 0.231 176.046 176.000 -0.308 0.000 0.974 2401 Q CA 1.240 56.919 55.803 -0.206 0.000 0.840 2401 Q CB 0.092 28.627 28.738 -0.338 0.000 0.898 2401 Q HN 0.579 nan 8.270 nan 0.000 0.430 2402 Y N -0.239 120.084 120.300 0.039 0.000 2.775 2402 Y HA 0.244 4.794 4.550 -0.000 0.000 0.349 2402 Y C 0.771 176.725 175.900 0.091 0.000 1.094 2402 Y CA -0.208 57.923 58.100 0.052 0.000 1.467 2402 Y CB 0.626 39.105 38.460 0.033 0.000 1.272 2402 Y HN 0.051 nan 8.280 nan 0.000 0.515 2403 S N -2.292 113.512 115.700 0.174 0.000 2.786 2403 S HA 0.272 4.742 4.470 -0.000 0.000 0.269 2403 S C 1.726 176.410 174.600 0.140 0.000 1.040 2403 S CA 0.331 58.653 58.200 0.203 0.000 1.099 2403 S CB 0.362 63.773 63.200 0.353 0.000 0.936 2403 S HN 0.572 nan 8.310 nan 0.000 0.450 2404 G N 1.199 110.064 108.800 0.109 0.000 2.550 2404 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.233 2404 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.233 2404 G C 0.543 175.501 174.900 0.097 0.000 1.170 2404 G CA 0.422 45.561 45.100 0.065 0.000 0.693 2404 G HN 1.503 nan 8.290 nan 0.000 0.512 2405 G N -3.070 105.816 108.800 0.143 0.000 2.335 2405 G HA2 0.485 4.445 3.960 -0.000 0.000 0.291 2405 G HA3 0.485 4.445 3.960 -0.000 0.000 0.291 2405 G C 0.134 175.083 174.900 0.082 0.000 1.261 2405 G CA 0.529 45.714 45.100 0.141 0.000 0.871 2405 G HN 1.017 nan 8.290 nan 0.000 0.491 2406 C N -1.546 117.732 119.300 -0.037 0.000 2.605 2406 C HA 0.385 4.845 4.460 -0.000 0.000 0.364 2406 C C 0.585 175.575 174.990 0.000 0.000 1.656 2406 C CA -0.102 58.818 59.018 -0.164 0.000 2.400 2406 C CB -0.544 26.909 27.740 -0.478 0.000 2.132 2406 C HN 0.532 nan 8.230 nan 0.000 0.668 2407 Y N 4.026 124.237 120.300 -0.147 0.000 2.576 2407 Y HA 0.201 4.751 4.550 -0.000 0.000 0.348 2407 Y C 1.477 177.408 175.900 0.051 0.000 1.212 2407 Y CA 0.435 58.481 58.100 -0.090 0.000 1.683 2407 Y CB -0.851 37.546 38.460 -0.104 0.000 1.484 2407 Y HN 0.691 nan 8.280 nan 0.000 0.477 2408 T N -0.197 114.490 114.554 0.222 0.000 0.566 2408 T HA -0.320 4.030 4.350 -0.000 0.000 0.771 2408 T C 0.191 175.016 174.700 0.207 0.000 0.991 2408 T CA -0.033 62.213 62.100 0.243 0.000 4.057 2408 T CB -0.593 68.511 68.868 0.393 0.000 2.293 2408 T HN 0.751 nan 8.240 nan 0.000 0.398 2409 A N 1.135 124.073 122.820 0.197 0.000 2.282 2409 A HA 0.760 5.080 4.320 -0.000 0.000 0.319 2409 A C -0.384 177.225 177.584 0.042 0.000 1.121 2409 A CA -0.508 51.543 52.037 0.023 0.000 0.836 2409 A CB 0.539 19.477 19.000 -0.103 0.000 1.146 2409 A HN 1.727 nan 8.150 nan 0.000 0.494 2410 Y N -1.559 118.533 120.300 -0.347 0.000 2.485 2410 Y HA 0.772 5.322 4.550 -0.000 0.000 0.345 2410 Y C -1.372 173.933 175.900 -0.991 0.000 0.998 2410 Y CA -2.051 55.435 58.100 -1.023 0.000 1.059 2410 Y CB 0.820 38.885 38.460 -0.659 0.000 1.234 2410 Y HN 0.389 nan 8.280 nan 0.000 0.461 2411 F N 4.372 123.385 119.950 -1.563 0.000 2.411 2411 F HA 0.569 5.096 4.527 -0.000 0.000 0.350 2411 F C -2.133 173.547 175.800 -0.200 0.000 1.114 2411 F CA -2.307 55.267 58.000 -0.710 0.000 1.135 2411 F CB 1.222 39.893 39.000 -0.549 0.000 1.120 2411 F HN 0.386 nan 8.300 nan 0.000 0.495 2412 P HA 0.255 nan 4.420 nan 0.000 0.282 2412 P C -2.664 174.740 177.300 0.174 0.000 1.287 2412 P CA -1.517 61.678 63.100 0.158 0.000 0.792 2412 P CB 0.276 32.019 31.700 0.071 0.000 1.163 2413 P HA 0.044 nan 4.420 nan 0.000 0.265 2413 P C 0.937 178.307 177.300 0.117 0.000 1.193 2413 P CA 1.368 64.555 63.100 0.145 0.000 0.765 2413 P CB -0.119 31.647 31.700 0.109 0.000 0.823 2414 G N 2.190 111.065 108.800 0.125 0.000 2.284 2414 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.261 2414 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.261 2414 G C 0.926 175.866 174.900 0.067 0.000 0.997 2414 G CA 0.444 45.592 45.100 0.080 0.000 0.621 2414 G HN 0.443 nan 8.290 nan 0.000 0.534 2415 I N 0.123 120.765 120.570 0.120 0.000 2.277 2415 I HA 0.105 4.275 4.170 -0.000 0.000 0.243 2415 I C 2.684 178.947 176.117 0.244 0.000 1.094 2415 I CA 2.170 63.553 61.300 0.138 0.000 1.393 2415 I CB -0.468 37.588 38.000 0.093 0.000 1.078 2415 I HN 0.339 nan 8.210 nan 0.000 0.417 2416 M N 0.692 120.528 119.600 0.393 0.000 2.089 2416 M HA -0.235 4.245 4.480 -0.000 0.000 0.257 2416 M C 2.166 178.564 176.300 0.163 0.000 1.071 2416 M CA 2.477 57.951 55.300 0.291 0.000 1.096 2416 M CB -1.100 31.582 32.600 0.137 0.000 1.330 2416 M HN 0.409 nan 8.290 nan 0.000 0.403 2417 T N -2.277 112.352 114.554 0.125 0.000 3.284 2417 T HA 0.041 4.391 4.350 -0.000 0.000 0.252 2417 T C 1.352 176.022 174.700 -0.050 0.000 1.144 2417 T CA 0.994 63.137 62.100 0.072 0.000 1.021 2417 T CB -0.183 68.729 68.868 0.074 0.000 0.984 2417 T HN 0.718 nan 8.240 nan 0.000 0.545 2418 Q N -0.661 119.061 119.800 -0.130 0.000 2.599 2418 Q HA 0.263 4.603 4.340 -0.000 0.000 0.229 2418 Q C 0.653 176.399 176.000 -0.424 0.000 0.800 2418 Q CA -0.192 55.392 55.803 -0.365 0.000 0.937 2418 Q CB 0.596 28.986 28.738 -0.580 0.000 1.285 2418 Q HN 0.674 nan 8.270 nan 0.000 0.600 2419 Y N -1.059 119.191 120.300 -0.083 0.000 2.500 2419 Y HA 0.369 4.919 4.550 -0.000 0.000 0.246 2419 Y C 1.671 177.473 175.900 -0.162 0.000 1.146 2419 Y CA -0.187 57.830 58.100 -0.139 0.000 1.230 2419 Y CB 1.167 39.550 38.460 -0.128 0.000 1.214 2419 Y HN 0.298 nan 8.280 nan 0.000 0.526 2420 G N 1.587 110.395 108.800 0.012 0.000 2.422 2420 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 2420 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 2420 G C 1.601 176.162 174.900 -0.565 0.000 1.146 2420 G CA 0.829 45.927 45.100 -0.004 0.000 0.769 2420 G HN 0.467 nan 8.290 nan 0.000 0.547 2421 R N 0.186 120.023 120.500 -1.106 0.000 2.438 2421 R HA 0.005 4.345 4.340 -0.000 0.000 0.227 2421 R C 1.367 177.186 176.300 -0.800 0.000 1.153 2421 R CA 1.289 56.335 56.100 -1.756 0.000 1.059 2421 R CB -0.455 29.089 30.300 -1.261 0.000 0.831 2421 R HN 0.306 nan 8.270 nan 0.000 0.487 2422 V N 1.507 121.149 119.914 -0.452 0.000 3.085 2422 V HA -0.040 4.080 4.120 -0.000 0.000 0.245 2422 V C 2.251 178.229 176.094 -0.194 0.000 1.114 2422 V CA 0.723 62.865 62.300 -0.263 0.000 1.108 2422 V CB -0.228 31.452 31.823 -0.237 0.000 0.798 2422 V HN 0.370 nan 8.190 nan 0.000 0.471 2423 I N 1.870 122.364 120.570 -0.127 0.000 2.317 2423 I HA -0.463 3.707 4.170 -0.000 0.000 0.244 2423 I C 2.403 178.495 176.117 -0.042 0.000 0.986 2423 I CA 2.953 64.222 61.300 -0.053 0.000 1.286 2423 I CB -0.909 37.179 38.000 0.147 0.000 0.983 2423 I HN 0.460 nan 8.210 nan 0.000 0.422 2424 R N 1.467 122.016 120.500 0.081 0.000 2.265 2424 R HA 0.162 4.502 4.340 -0.000 0.000 0.194 2424 R C 1.276 177.683 176.300 0.177 0.000 0.931 2424 R CA -0.069 56.142 56.100 0.186 0.000 1.032 2424 R CB -0.232 30.252 30.300 0.307 0.000 0.980 2424 R HN 0.487 nan 8.270 nan 0.000 0.497 2425 Q N 2.628 122.470 119.800 0.069 0.000 2.274 2425 Q HA 0.144 4.484 4.340 -0.000 0.000 0.280 2425 Q C -2.114 173.938 176.000 0.086 0.000 1.047 2425 Q CA -1.865 53.971 55.803 0.056 0.000 0.907 2425 Q CB 0.834 29.558 28.738 -0.023 0.000 1.171 2425 Q HN 0.074 nan 8.270 nan 0.000 0.381 2426 P HA 0.017 nan 4.420 nan 0.000 0.271 2426 P C -1.238 176.057 177.300 -0.008 0.000 1.218 2426 P CA -0.191 62.879 63.100 -0.051 0.000 0.780 2426 P CB 0.778 32.138 31.700 -0.568 0.000 0.901 2427 V N 2.683 122.635 119.914 0.063 0.000 2.235 2427 V HA 0.426 4.546 4.120 -0.000 0.000 0.266 2427 V C 0.593 176.675 176.094 -0.020 0.000 1.055 2427 V CA -0.312 62.011 62.300 0.040 0.000 0.844 2427 V CB -0.015 31.876 31.823 0.114 0.000 1.097 2427 V HN 0.948 nan 8.190 nan 0.000 0.453 2428 G N 4.254 113.023 108.800 -0.053 0.000 2.427 2428 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.189 2428 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.189 2428 G C 0.681 175.581 174.900 -0.000 0.000 0.418 2428 G CA 0.705 45.792 45.100 -0.021 0.000 0.950 2428 G HN 0.863 nan 8.290 nan 0.000 0.372 2429 R N -0.699 119.845 120.500 0.073 0.000 4.024 2429 R HA -0.241 4.099 4.340 -0.000 0.000 0.391 2429 R C 0.839 177.294 176.300 0.259 0.000 1.157 2429 R CA 1.924 58.195 56.100 0.285 0.000 1.215 2429 R CB -1.166 29.173 30.300 0.064 0.000 1.738 2429 R HN 0.682 nan 8.270 nan 0.000 0.566 2430 I N 1.362 121.931 120.570 -0.001 0.000 2.354 2430 I HA 0.260 4.429 4.170 -0.000 0.000 0.286 2430 I C -0.250 175.681 176.117 -0.311 0.000 1.007 2430 I CA -0.659 60.593 61.300 -0.081 0.000 1.167 2430 I CB 0.854 38.777 38.000 -0.128 0.000 1.320 2430 I HN -0.121 nan 8.210 nan 0.000 0.458 2431 Y N 5.637 125.794 120.300 -0.237 0.000 2.453 2431 Y HA 0.511 5.061 4.550 -0.000 0.000 0.326 2431 Y C -0.339 175.331 175.900 -0.382 0.000 1.186 2431 Y CA -0.689 57.315 58.100 -0.161 0.000 1.200 2431 Y CB 1.216 39.644 38.460 -0.054 0.000 1.247 2431 Y HN 0.266 nan 8.280 nan 0.000 0.482 2432 F N 0.809 120.852 119.950 0.156 0.000 2.458 2432 F HA 0.727 5.254 4.527 -0.000 0.000 0.336 2432 F C 0.423 176.288 175.800 0.107 0.000 1.114 2432 F CA -0.637 57.431 58.000 0.114 0.000 0.987 2432 F CB 1.305 40.353 39.000 0.081 0.000 1.130 2432 F HN 0.597 nan 8.300 nan 0.000 0.458 2433 A N 1.819 124.778 122.820 0.232 0.000 3.791 2433 A HA 0.947 5.267 4.320 -0.000 0.000 0.159 2433 A C 0.242 177.940 177.584 0.191 0.000 1.359 2433 A CA -0.480 51.653 52.037 0.161 0.000 0.899 2433 A CB 0.028 19.079 19.000 0.085 0.000 1.642 2433 A HN 1.605 nan 8.150 nan 0.000 0.612 2434 G N -2.194 106.697 108.800 0.151 0.000 2.879 2434 G HA2 0.088 4.048 3.960 -0.000 0.000 0.686 2434 G HA3 0.088 4.048 3.960 -0.000 0.000 0.686 2434 G C 0.451 175.467 174.900 0.192 0.000 1.115 2434 G CA 0.681 45.880 45.100 0.166 0.000 0.770 2434 G HN 1.666 nan 8.290 nan 0.000 0.601 2435 T N 0.241 114.911 114.554 0.194 0.000 2.822 2435 T HA -0.130 4.220 4.350 -0.000 0.000 0.270 2435 T C 2.148 177.030 174.700 0.304 0.000 1.064 2435 T CA 2.340 64.581 62.100 0.236 0.000 1.131 2435 T CB -0.270 68.740 68.868 0.236 0.000 0.858 2435 T HN 0.654 nan 8.240 nan 0.000 0.483 2436 E N 0.887 121.268 120.200 0.302 0.000 2.401 2436 E HA -0.080 4.270 4.350 -0.000 0.000 0.199 2436 E C 2.012 178.846 176.600 0.391 0.000 1.023 2436 E CA 1.440 58.063 56.400 0.372 0.000 0.859 2436 E CB -0.721 29.155 29.700 0.293 0.000 0.780 2436 E HN 0.799 nan 8.360 nan 0.000 0.523 2437 T N -2.552 112.197 114.554 0.326 0.000 3.092 2437 T HA 0.543 4.893 4.350 -0.000 0.000 0.258 2437 T C 0.872 175.777 174.700 0.342 0.000 1.031 2437 T CA 0.078 62.370 62.100 0.321 0.000 0.925 2437 T CB 0.322 69.351 68.868 0.268 0.000 1.036 2437 T HN 0.148 nan 8.240 nan 0.000 0.544 2438 A N 0.985 124.010 122.820 0.343 0.000 2.281 2438 A HA 0.575 4.895 4.320 -0.000 0.000 0.271 2438 A C 1.345 179.167 177.584 0.395 0.000 1.196 2438 A CA 0.082 52.311 52.037 0.319 0.000 0.807 2438 A CB -0.001 19.163 19.000 0.273 0.000 1.138 2438 A HN 0.301 nan 8.150 nan 0.000 0.506 2439 T N -0.609 114.146 114.554 0.335 0.000 2.980 2439 T HA 0.188 4.538 4.350 -0.000 0.000 0.252 2439 T C 0.127 174.886 174.700 0.099 0.000 0.962 2439 T CA 0.396 62.681 62.100 0.309 0.000 0.932 2439 T CB 0.106 69.171 68.868 0.327 0.000 1.188 2439 T HN 0.653 nan 8.240 nan 0.000 0.500 2440 Q N -0.121 119.723 119.800 0.074 0.000 2.325 2440 Q HA 0.365 4.705 4.340 -0.000 0.000 0.270 2440 Q C -1.080 174.922 176.000 0.003 0.000 1.020 2440 Q CA -0.762 54.992 55.803 -0.083 0.000 0.785 2440 Q CB 1.582 30.353 28.738 0.055 0.000 1.259 2440 Q HN 0.398 nan 8.270 nan 0.000 0.452 2441 W N 0.659 121.788 121.300 -0.285 0.000 4.706 2441 W HA -0.243 4.417 4.660 -0.000 0.000 0.366 2441 W C 0.276 176.747 176.519 -0.080 0.000 1.382 2441 W CA 0.571 57.719 57.345 -0.329 0.000 0.832 2441 W CB -1.542 27.751 29.460 -0.277 0.000 2.504 2441 W HN 0.521 nan 8.180 nan 0.000 1.403 2442 S N 0.524 116.248 115.700 0.040 0.000 2.560 2442 S HA 0.431 4.901 4.470 -0.000 0.000 0.284 2442 S C 1.401 176.236 174.600 0.391 0.000 1.327 2442 S CA 1.616 59.975 58.200 0.264 0.000 1.055 2442 S CB 1.018 64.450 63.200 0.387 0.000 0.868 2442 S HN 1.428 nan 8.310 nan 0.000 0.506 2443 G N 2.992 112.064 108.800 0.453 0.000 2.258 2443 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.233 2443 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.233 2443 G C -0.093 174.993 174.900 0.310 0.000 1.006 2443 G CA 0.320 45.702 45.100 0.470 0.000 0.620 2443 G HN 0.687 nan 8.290 nan 0.000 0.511 2444 Y N -0.148 120.264 120.300 0.188 0.000 2.545 2444 Y HA 0.733 5.283 4.550 -0.000 0.000 0.324 2444 Y C 2.110 178.067 175.900 0.094 0.000 1.220 2444 Y CA -0.519 57.651 58.100 0.117 0.000 1.290 2444 Y CB 0.648 39.194 38.460 0.142 0.000 1.355 2444 Y HN 0.017 nan 8.280 nan 0.000 0.516 2445 M N -0.193 119.527 119.600 0.200 0.000 2.086 2445 M HA -0.194 4.286 4.480 -0.000 0.000 0.261 2445 M C 1.995 178.377 176.300 0.138 0.000 1.067 2445 M CA 1.662 57.047 55.300 0.142 0.000 1.116 2445 M CB -0.233 32.444 32.600 0.129 0.000 1.348 2445 M HN 0.743 nan 8.290 nan 0.000 0.407 2446 E N 0.334 120.596 120.200 0.103 0.000 2.118 2446 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 2446 E C 1.994 178.684 176.600 0.151 0.000 0.992 2446 E CA 1.604 58.044 56.400 0.067 0.000 0.804 2446 E CB -0.212 29.437 29.700 -0.085 0.000 0.741 2446 E HN 0.578 nan 8.360 nan 0.000 0.458 2447 G N 0.919 109.861 108.800 0.237 0.000 2.440 2447 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 2447 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 2447 G C 1.699 176.717 174.900 0.196 0.000 1.154 2447 G CA 1.407 46.658 45.100 0.252 0.000 0.767 2447 G HN 0.420 nan 8.290 nan 0.000 0.552 2448 A N 0.233 123.159 122.820 0.176 0.000 1.865 2448 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 2448 A C 2.641 180.287 177.584 0.103 0.000 1.191 2448 A CA 2.153 54.273 52.037 0.139 0.000 0.623 2448 A CB -0.803 18.270 19.000 0.121 0.000 0.826 2448 A HN 0.325 nan 8.150 nan 0.000 0.444 2449 V N 0.290 120.258 119.914 0.090 0.000 2.287 2449 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 2449 V C 2.519 178.641 176.094 0.046 0.000 1.053 2449 V CA 2.377 64.712 62.300 0.058 0.000 1.027 2449 V CB -0.946 30.908 31.823 0.052 0.000 0.646 2449 V HN 0.770 nan 8.190 nan 0.000 0.447 2450 E N 0.499 120.743 120.200 0.073 0.000 2.048 2450 E HA -0.338 4.012 4.350 -0.000 0.000 0.202 2450 E C 2.215 178.809 176.600 -0.009 0.000 1.021 2450 E CA 2.063 58.496 56.400 0.055 0.000 0.825 2450 E CB -0.252 29.520 29.700 0.120 0.000 0.756 2450 E HN 0.555 nan 8.360 nan 0.000 0.454 2451 A N 0.835 123.675 122.820 0.034 0.000 1.845 2451 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 2451 A C 2.547 180.119 177.584 -0.020 0.000 1.195 2451 A CA 2.114 54.158 52.037 0.011 0.000 0.616 2451 A CB -1.587 17.473 19.000 0.099 0.000 0.832 2451 A HN 0.503 nan 8.150 nan 0.000 0.443 2452 G N -0.158 108.649 108.800 0.011 0.000 2.606 2452 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.221 2452 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.221 2452 G C 1.417 176.284 174.900 -0.055 0.000 1.152 2452 G CA 1.356 46.451 45.100 -0.008 0.000 0.765 2452 G HN 0.702 nan 8.290 nan 0.000 0.595 2453 E N -0.283 119.876 120.200 -0.068 0.000 2.033 2453 E HA -0.060 4.290 4.350 -0.000 0.000 0.189 2453 E C 2.615 179.109 176.600 -0.178 0.000 0.979 2453 E CA 0.302 56.639 56.400 -0.105 0.000 0.802 2453 E CB -0.276 29.379 29.700 -0.075 0.000 0.763 2453 E HN 0.185 nan 8.360 nan 0.000 0.449 2454 R N 1.676 122.036 120.500 -0.234 0.000 2.115 2454 R HA -0.207 4.133 4.340 -0.000 0.000 0.239 2454 R C 2.184 178.301 176.300 -0.305 0.000 1.133 2454 R CA 2.081 57.933 56.100 -0.414 0.000 0.935 2454 R CB -0.846 29.083 30.300 -0.618 0.000 0.853 2454 R HN 0.187 nan 8.270 nan 0.000 0.433 2455 A N 0.618 123.329 122.820 -0.180 0.000 1.883 2455 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 2455 A C 2.502 179.965 177.584 -0.202 0.000 1.186 2455 A CA 2.535 54.511 52.037 -0.102 0.000 0.624 2455 A CB -1.008 17.985 19.000 -0.012 0.000 0.822 2455 A HN 0.577 nan 8.150 nan 0.000 0.444 2456 A N 0.014 122.717 122.820 -0.195 0.000 1.859 2456 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 2456 A C 2.227 179.620 177.584 -0.318 0.000 1.198 2456 A CA 1.955 53.850 52.037 -0.237 0.000 0.629 2456 A CB -0.657 18.229 19.000 -0.190 0.000 0.830 2456 A HN 0.590 nan 8.150 nan 0.000 0.446 2457 R N -0.383 119.937 120.500 -0.301 0.000 2.117 2457 R HA -0.178 4.162 4.340 -0.000 0.000 0.243 2457 R C 2.153 178.271 176.300 -0.303 0.000 1.143 2457 R CA 1.618 57.531 56.100 -0.312 0.000 0.968 2457 R CB -0.469 29.683 30.300 -0.248 0.000 0.863 2457 R HN 0.721 nan 8.270 nan 0.000 0.444 2458 E N 0.265 120.288 120.200 -0.295 0.000 2.058 2458 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 2458 E C 2.071 178.345 176.600 -0.543 0.000 0.997 2458 E CA 1.671 57.903 56.400 -0.280 0.000 0.801 2458 E CB -0.075 29.550 29.700 -0.126 0.000 0.746 2458 E HN 0.142 nan 8.360 nan 0.000 0.450 2459 V N 1.473 120.933 119.914 -0.758 0.000 2.427 2459 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 2459 V C 2.321 178.042 176.094 -0.622 0.000 1.051 2459 V CA 1.333 63.090 62.300 -0.904 0.000 1.048 2459 V CB -0.464 30.923 31.823 -0.727 0.000 0.666 2459 V HN 0.241 nan 8.190 nan 0.000 0.456 2460 L N 0.895 121.848 121.223 -0.451 0.000 2.017 2460 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 2460 L C 2.647 179.360 176.870 -0.263 0.000 1.073 2460 L CA 2.102 56.732 54.840 -0.351 0.000 0.745 2460 L CB -0.905 40.890 42.059 -0.440 0.000 0.894 2460 L HN 0.507 nan 8.230 nan 0.000 0.432 2461 N N 1.126 119.681 118.700 -0.242 0.000 2.149 2461 N HA -0.212 4.528 4.740 -0.000 0.000 0.188 2461 N C 1.695 177.125 175.510 -0.133 0.000 1.019 2461 N CA 1.657 54.624 53.050 -0.138 0.000 0.857 2461 N CB 0.069 38.502 38.487 -0.090 0.000 0.997 2461 N HN 0.315 nan 8.380 nan 0.000 0.426 2462 A N 0.545 123.218 122.820 -0.246 0.000 2.172 2462 A HA 0.081 4.401 4.320 -0.000 0.000 0.216 2462 A C 2.106 179.587 177.584 -0.172 0.000 1.154 2462 A CA 0.445 52.346 52.037 -0.226 0.000 0.701 2462 A CB -0.232 18.471 19.000 -0.496 0.000 0.789 2462 A HN 0.379 nan 8.150 nan 0.000 0.465 2463 L N -1.990 119.119 121.223 -0.189 0.000 2.693 2463 L HA 0.282 4.622 4.340 -0.000 0.000 0.235 2463 L C 1.628 178.488 176.870 -0.017 0.000 1.127 2463 L CA 0.488 55.287 54.840 -0.069 0.000 0.914 2463 L CB 0.175 42.180 42.059 -0.090 0.000 1.193 2463 L HN 0.494 nan 8.230 nan 0.000 0.502 2464 G N 0.304 109.088 108.800 -0.026 0.000 2.179 2464 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 2464 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 2464 G C 1.095 176.005 174.900 0.017 0.000 0.977 2464 G CA 0.313 45.416 45.100 0.005 0.000 0.641 2464 G HN 0.280 nan 8.290 nan 0.000 0.533 2465 K N -0.477 119.929 120.400 0.010 0.000 2.365 2465 K HA 0.319 4.639 4.320 -0.000 0.000 0.197 2465 K C 0.661 177.310 176.600 0.082 0.000 1.042 2465 K CA 0.849 57.180 56.287 0.072 0.000 0.987 2465 K CB 0.822 33.393 32.500 0.118 0.000 0.779 2465 K HN 0.411 nan 8.250 nan 0.000 0.484 2466 V N 0.854 120.768 119.914 -0.001 0.000 2.760 2466 V HA 0.375 4.495 4.120 -0.000 0.000 0.309 2466 V C -0.399 175.695 176.094 0.001 0.000 1.077 2466 V CA -1.437 60.861 62.300 -0.003 0.000 0.910 2466 V CB 1.757 33.524 31.823 -0.093 0.000 1.008 2466 V HN 0.140 nan 8.190 nan 0.000 0.424 2467 A N 2.751 125.587 122.820 0.027 0.000 2.425 2467 A HA 0.325 4.645 4.320 -0.000 0.000 0.242 2467 A C 1.253 178.861 177.584 0.041 0.000 1.077 2467 A CA 0.080 52.138 52.037 0.035 0.000 0.781 2467 A CB 0.119 19.145 19.000 0.044 0.000 1.020 2467 A HN 0.986 nan 8.150 nan 0.000 0.494 2468 K N 0.236 120.667 120.400 0.051 0.000 2.281 2468 K HA -0.158 4.162 4.320 -0.000 0.000 0.203 2468 K C 1.814 178.476 176.600 0.103 0.000 1.046 2468 K CA 1.673 58.005 56.287 0.075 0.000 0.938 2468 K CB 0.054 32.598 32.500 0.073 0.000 0.737 2468 K HN 0.635 nan 8.250 nan 0.000 0.458 2469 K N 1.226 121.678 120.400 0.086 0.000 2.020 2469 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 2469 K C 0.456 177.126 176.600 0.116 0.000 1.038 2469 K CA 1.430 57.776 56.287 0.098 0.000 0.947 2469 K CB -0.161 32.380 32.500 0.070 0.000 0.744 2469 K HN 0.106 nan 8.250 nan 0.000 0.442 2470 D N 1.603 122.054 120.400 0.084 0.000 2.403 2470 D HA -0.078 4.562 4.640 -0.000 0.000 0.260 2470 D C 1.348 177.684 176.300 0.059 0.000 1.243 2470 D CA 0.234 54.280 54.000 0.077 0.000 0.918 2470 D CB -0.090 40.748 40.800 0.063 0.000 0.939 2470 D HN 0.301 nan 8.370 nan 0.000 0.507 2471 I N -1.333 119.292 120.570 0.091 0.000 2.731 2471 I HA -0.019 4.151 4.170 -0.000 0.000 0.260 2471 I C 0.006 176.105 176.117 -0.030 0.000 1.138 2471 I CA 0.257 61.568 61.300 0.018 0.000 1.461 2471 I CB 0.614 38.652 38.000 0.063 0.000 1.128 2471 I HN -0.095 nan 8.210 nan 0.000 0.438 2472 W N 1.326 122.641 121.300 0.024 0.000 2.282 2472 W HA 0.447 5.107 4.660 -0.000 0.000 0.322 2472 W C -0.707 175.831 176.519 0.030 0.000 1.011 2472 W CA -0.471 56.895 57.345 0.034 0.000 1.392 2472 W CB 1.056 30.541 29.460 0.041 0.000 1.215 2472 W HN -0.338 nan 8.180 nan 0.000 0.394 2473 V N 3.533 123.549 119.914 0.170 0.000 2.394 2473 V HA 0.221 4.341 4.120 -0.000 0.000 0.282 2473 V C 0.373 176.542 176.094 0.126 0.000 1.031 2473 V CA -1.236 61.139 62.300 0.125 0.000 0.881 2473 V CB 1.171 33.035 31.823 0.068 0.000 0.982 2473 V HN 0.371 nan 8.190 nan 0.000 0.451 2474 E N 2.434 122.701 120.200 0.111 0.000 2.373 2474 E HA 0.222 4.572 4.350 -0.000 0.000 0.267 2474 E C -0.450 176.193 176.600 0.072 0.000 1.032 2474 E CA -0.232 56.225 56.400 0.094 0.000 0.889 2474 E CB 1.093 30.837 29.700 0.074 0.000 0.984 2474 E HN 0.645 nan 8.360 nan 0.000 0.425 2475 E N 3.053 123.295 120.200 0.069 0.000 2.216 2475 E HA 0.240 4.590 4.350 -0.000 0.000 0.279 2475 E C -2.443 174.183 176.600 0.043 0.000 0.997 2475 E CA -2.070 54.362 56.400 0.054 0.000 0.817 2475 E CB 0.829 30.563 29.700 0.056 0.000 1.096 2475 E HN 0.103 nan 8.360 nan 0.000 0.393 2476 P HA 0.080 nan 4.420 nan 0.000 0.276 2476 P C -1.002 176.313 177.300 0.024 0.000 1.243 2476 P CA -0.196 62.921 63.100 0.028 0.000 0.768 2476 P CB 0.564 32.278 31.700 0.024 0.000 0.856 2477 E N 2.541 122.754 120.200 0.022 0.000 2.585 2477 E HA -0.009 4.341 4.350 -0.000 0.000 0.252 2477 E C -0.128 176.480 176.600 0.013 0.000 0.981 2477 E CA -0.020 56.390 56.400 0.017 0.000 0.943 2477 E CB 0.284 29.993 29.700 0.016 0.000 0.923 2477 E HN 0.312 nan 8.360 nan 0.000 0.486 2478 S N 4.060 119.766 115.700 0.009 0.000 2.546 2478 S HA -0.014 4.456 4.470 -0.000 0.000 0.290 2478 S C 0.792 175.396 174.600 0.006 0.000 1.262 2478 S CA 0.038 58.242 58.200 0.007 0.000 1.083 2478 S CB 0.443 63.645 63.200 0.003 0.000 0.859 2478 S HN 0.546 nan 8.310 nan 0.000 0.495 2479 K N 3.329 123.734 120.400 0.009 0.000 2.439 2479 K HA -0.028 4.292 4.320 -0.000 0.000 0.197 2479 K C 0.613 177.218 176.600 0.008 0.000 1.041 2479 K CA 1.103 57.395 56.287 0.008 0.000 0.970 2479 K CB 0.041 32.546 32.500 0.009 0.000 0.773 2479 K HN 0.607 nan 8.250 nan 0.000 0.479 2480 D N -0.331 120.074 120.400 0.009 0.000 2.271 2480 D HA -0.034 4.606 4.640 -0.000 0.000 0.206 2480 D C -0.226 176.078 176.300 0.006 0.000 0.967 2480 D CA 0.658 54.665 54.000 0.011 0.000 0.867 2480 D CB 0.610 41.421 40.800 0.017 0.000 0.960 2480 D HN -0.163 nan 8.370 nan 0.000 0.509 2481 V N 2.076 121.989 119.914 -0.001 0.000 2.383 2481 V HA 0.285 4.405 4.120 -0.000 0.000 0.264 2481 V C -2.454 173.632 176.094 -0.013 0.000 1.001 2481 V CA -1.575 60.717 62.300 -0.014 0.000 0.828 2481 V CB 1.195 33.000 31.823 -0.031 0.000 1.069 2481 V HN -0.097 nan 8.190 nan 0.000 0.451 2482 P HA 0.140 nan 4.420 nan 0.000 0.265 2482 P C 0.102 177.399 177.300 -0.005 0.000 1.193 2482 P CA 0.132 63.231 63.100 -0.002 0.000 0.765 2482 P CB 0.734 32.435 31.700 0.002 0.000 0.823 2483 A N 4.975 127.795 122.820 0.000 0.000 3.037 2483 A HA 0.186 4.506 4.320 -0.000 0.000 0.272 2483 A C 0.482 178.068 177.584 0.003 0.000 1.723 2483 A CA -0.390 51.649 52.037 0.003 0.000 1.413 2483 A CB -1.372 17.634 19.000 0.010 0.000 1.112 2483 A HN 0.507 nan 8.150 nan 0.000 0.606 2484 I N 2.329 122.899 120.570 0.000 0.000 2.662 2484 I HA -0.030 4.140 4.170 -0.000 0.000 0.285 2484 I C 0.563 176.680 176.117 -0.000 0.000 1.161 2484 I CA -0.127 61.174 61.300 0.002 0.000 1.415 2484 I CB 0.336 38.338 38.000 0.003 0.000 1.385 2484 I HN 0.528 nan 8.210 nan 0.000 0.552 2485 E N 6.484 126.684 120.200 -0.000 0.000 2.468 2485 E HA 0.057 4.407 4.350 -0.000 0.000 0.263 2485 E C -0.111 176.481 176.600 -0.013 0.000 1.192 2485 E CA 0.047 56.442 56.400 -0.007 0.000 1.016 2485 E CB 0.608 30.307 29.700 -0.001 0.000 0.980 2485 E HN 0.492 nan 8.360 nan 0.000 0.467 2486 I N -1.280 119.270 120.570 -0.034 0.000 2.297 2486 I HA 0.213 4.383 4.170 -0.000 0.000 0.291 2486 I C -0.064 176.031 176.117 -0.036 0.000 1.033 2486 I CA -0.702 60.566 61.300 -0.054 0.000 1.253 2486 I CB 0.784 38.709 38.000 -0.124 0.000 1.396 2486 I HN -0.051 nan 8.210 nan 0.000 0.476 2487 T N 5.211 119.773 114.554 0.013 0.000 2.751 2487 T HA 0.101 4.451 4.350 -0.000 0.000 0.290 2487 T C -0.113 174.670 174.700 0.139 0.000 0.919 2487 T CA 0.290 62.431 62.100 0.068 0.000 1.136 2487 T CB -0.466 68.447 68.868 0.075 0.000 0.875 2487 T HN 0.522 nan 8.240 nan 0.000 0.532 2488 H N 2.722 121.817 119.070 0.042 0.000 2.691 2488 H HA 0.191 4.747 4.556 -0.000 0.000 0.281 2488 H C 0.371 175.733 175.328 0.057 0.000 1.121 2488 H CA -0.837 55.233 56.048 0.038 0.000 1.254 2488 H CB 0.524 30.299 29.762 0.021 0.000 1.390 2488 H HN 0.563 nan 8.280 nan 0.000 0.491 2489 T N 3.417 118.062 114.554 0.152 0.000 2.923 2489 T HA -0.196 4.154 4.350 -0.000 0.000 0.320 2489 T C 1.328 176.080 174.700 0.086 0.000 1.074 2489 T CA 0.362 62.535 62.100 0.121 0.000 1.131 2489 T CB 0.246 69.181 68.868 0.113 0.000 1.058 2489 T HN 0.476 nan 8.240 nan 0.000 0.535 2490 F N 2.564 122.521 119.950 0.012 0.000 2.134 2490 F HA -0.077 4.450 4.527 -0.000 0.000 0.299 2490 F C 1.863 177.654 175.800 -0.017 0.000 1.097 2490 F CA 1.420 59.418 58.000 -0.004 0.000 1.264 2490 F CB -0.439 38.567 39.000 0.010 0.000 1.001 2490 F HN 0.508 nan 8.300 nan 0.000 0.479 2491 L N 0.302 121.457 121.223 -0.114 0.000 1.970 2491 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 2491 L C 2.514 179.244 176.870 -0.233 0.000 1.071 2491 L CA 2.088 56.813 54.840 -0.193 0.000 0.751 2491 L CB -0.898 41.188 42.059 0.044 0.000 0.889 2491 L HN 0.180 nan 8.230 nan 0.000 0.432 2492 E N -0.263 119.844 120.200 -0.156 0.000 2.070 2492 E HA -0.314 4.036 4.350 -0.000 0.000 0.197 2492 E C 2.170 178.584 176.600 -0.311 0.000 1.004 2492 E CA 1.443 57.712 56.400 -0.219 0.000 0.805 2492 E CB -0.256 29.319 29.700 -0.209 0.000 0.744 2492 E HN 0.233 nan 8.360 nan 0.000 0.451 2493 R N 1.163 121.458 120.500 -0.341 0.000 2.159 2493 R HA -0.106 4.234 4.340 -0.000 0.000 0.237 2493 R C 1.193 177.314 176.300 -0.298 0.000 1.131 2493 R CA 1.637 57.545 56.100 -0.320 0.000 0.982 2493 R CB -0.011 30.153 30.300 -0.228 0.000 0.868 2493 R HN 0.155 nan 8.270 nan 0.000 0.453 2494 N N -0.906 117.563 118.700 -0.385 0.000 2.382 2494 N HA 0.095 4.835 4.740 -0.000 0.000 0.200 2494 N C -0.263 175.094 175.510 -0.256 0.000 1.122 2494 N CA -0.093 52.752 53.050 -0.341 0.000 0.870 2494 N CB 0.289 38.484 38.487 -0.486 0.000 1.176 2494 N HN 0.108 nan 8.380 nan 0.000 0.474 2495 L N 3.322 124.400 121.223 -0.243 0.000 2.640 2495 L HA 0.016 4.356 4.340 -0.000 0.000 0.280 2495 L C -1.873 174.905 176.870 -0.154 0.000 1.229 2495 L CA -0.764 53.979 54.840 -0.162 0.000 0.919 2495 L CB -0.256 41.732 42.059 -0.119 0.000 1.168 2495 L HN -0.147 nan 8.230 nan 0.000 0.496 2496 P HA 0.011 nan 4.420 nan 0.000 0.269 2496 P C -0.566 176.645 177.300 -0.148 0.000 1.217 2496 P CA -0.261 62.761 63.100 -0.129 0.000 0.783 2496 P CB 0.568 32.200 31.700 -0.113 0.000 0.898 2497 S N -0.095 115.509 115.700 -0.160 0.000 2.652 2497 S HA 0.169 4.639 4.470 -0.000 0.000 0.270 2497 S C 1.277 175.730 174.600 -0.245 0.000 1.243 2497 S CA -0.717 57.373 58.200 -0.184 0.000 0.999 2497 S CB 0.458 63.564 63.200 -0.157 0.000 0.973 2497 S HN 0.164 nan 8.310 nan 0.000 0.544 2498 V N 2.184 121.913 119.914 -0.309 0.000 2.278 2498 V HA -0.116 4.004 4.120 -0.000 0.000 0.251 2498 V C -0.767 174.960 176.094 -0.611 0.000 1.062 2498 V CA 2.192 64.225 62.300 -0.446 0.000 1.038 2498 V CB -1.700 29.794 31.823 -0.548 0.000 0.646 2498 V HN 0.768 nan 8.190 nan 0.000 0.447 2499 P HA -0.057 nan 4.420 nan 0.000 0.216 2499 P C 1.714 178.823 177.300 -0.319 0.000 1.153 2499 P CA 1.621 64.358 63.100 -0.606 0.000 0.844 2499 P CB -0.341 31.123 31.700 -0.392 0.000 0.787 2500 G N 0.283 108.939 108.800 -0.239 0.000 2.469 2500 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 2500 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 2500 G C 1.472 176.281 174.900 -0.153 0.000 1.150 2500 G CA 0.676 45.679 45.100 -0.162 0.000 0.763 2500 G HN 0.222 nan 8.290 nan 0.000 0.561 2501 L N 0.327 121.443 121.223 -0.178 0.000 2.093 2501 L HA 0.141 4.481 4.340 -0.000 0.000 0.208 2501 L C 2.610 179.396 176.870 -0.139 0.000 1.085 2501 L CA 1.264 56.018 54.840 -0.143 0.000 0.755 2501 L CB -0.244 41.729 42.059 -0.144 0.000 0.904 2501 L HN 0.216 nan 8.230 nan 0.000 0.435 2502 L N -1.166 119.947 121.223 -0.184 0.000 2.217 2502 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 2502 L C 2.393 179.194 176.870 -0.116 0.000 1.107 2502 L CA 0.865 55.611 54.840 -0.158 0.000 0.783 2502 L CB -0.508 41.423 42.059 -0.214 0.000 0.919 2502 L HN 0.240 nan 8.230 nan 0.000 0.442 2503 K N 0.392 120.723 120.400 -0.115 0.000 2.076 2503 K HA -0.023 4.297 4.320 -0.000 0.000 0.204 2503 K C 2.081 178.643 176.600 -0.063 0.000 1.051 2503 K CA 0.962 57.201 56.287 -0.079 0.000 0.949 2503 K CB -0.037 32.418 32.500 -0.074 0.000 0.726 2503 K HN 0.184 nan 8.250 nan 0.000 0.443 2504 I N 1.187 121.715 120.570 -0.070 0.000 2.208 2504 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 2504 I C 1.995 178.083 176.117 -0.047 0.000 1.097 2504 I CA 1.373 62.640 61.300 -0.055 0.000 1.363 2504 I CB -0.351 37.613 38.000 -0.060 0.000 1.051 2504 I HN 0.162 nan 8.210 nan 0.000 0.413 2505 T N -0.004 114.516 114.554 -0.056 0.000 3.014 2505 T HA -0.002 4.348 4.350 -0.000 0.000 0.263 2505 T C 1.870 176.547 174.700 -0.038 0.000 1.078 2505 T CA 0.997 63.069 62.100 -0.047 0.000 1.135 2505 T CB -0.350 68.485 68.868 -0.054 0.000 0.895 2505 T HN 0.551 nan 8.240 nan 0.000 0.480 2506 G N 0.888 109.663 108.800 -0.041 0.000 2.535 2506 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.218 2506 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.218 2506 G C 1.407 176.294 174.900 -0.020 0.000 1.122 2506 G CA 0.641 45.723 45.100 -0.030 0.000 0.769 2506 G HN 0.463 nan 8.290 nan 0.000 0.549 2507 V N 0.918 120.819 119.914 -0.022 0.000 2.795 2507 V HA -0.051 4.069 4.120 -0.000 0.000 0.243 2507 V C 2.937 179.026 176.094 -0.008 0.000 1.069 2507 V CA 1.614 63.906 62.300 -0.013 0.000 1.089 2507 V CB 0.254 32.069 31.823 -0.014 0.000 0.756 2507 V HN 0.513 nan 8.190 nan 0.000 0.471 2508 S N -0.326 115.366 115.700 -0.014 0.000 2.453 2508 S HA -0.154 4.316 4.470 -0.000 0.000 0.231 2508 S C 1.804 176.399 174.600 -0.007 0.000 1.005 2508 S CA 1.619 59.813 58.200 -0.010 0.000 0.949 2508 S CB -0.465 62.725 63.200 -0.018 0.000 0.774 2508 S HN 0.534 nan 8.310 nan 0.000 0.510 2509 T N 2.124 116.671 114.554 -0.010 0.000 2.668 2509 T HA -0.044 4.306 4.350 -0.000 0.000 0.258 2509 T C 2.090 176.794 174.700 0.006 0.000 1.051 2509 T CA 1.495 63.591 62.100 -0.007 0.000 1.155 2509 T CB -0.864 67.997 68.868 -0.012 0.000 0.864 2509 T HN 0.544 nan 8.240 nan 0.000 0.413 2510 S N 0.600 116.303 115.700 0.005 0.000 2.381 2510 S HA -0.175 4.295 4.470 -0.000 0.000 0.230 2510 S C 2.138 176.753 174.600 0.025 0.000 1.052 2510 S CA 1.756 59.964 58.200 0.013 0.000 1.068 2510 S CB -0.686 62.519 63.200 0.007 0.000 0.918 2510 S HN 0.275 nan 8.310 nan 0.000 0.448 2511 V N 1.842 121.770 119.914 0.023 0.000 2.358 2511 V HA -0.099 4.021 4.120 -0.000 0.000 0.246 2511 V C 2.835 178.962 176.094 0.055 0.000 1.047 2511 V CA 1.766 64.087 62.300 0.035 0.000 1.035 2511 V CB -1.415 30.423 31.823 0.025 0.000 0.658 2511 V HN 0.641 nan 8.190 nan 0.000 0.452 2512 A N -0.055 122.790 122.820 0.042 0.000 1.841 2512 A HA -0.108 4.211 4.320 -0.000 0.000 0.214 2512 A C 2.203 179.842 177.584 0.092 0.000 1.195 2512 A CA 1.717 53.785 52.037 0.051 0.000 0.611 2512 A CB -0.559 18.446 19.000 0.008 0.000 0.835 2512 A HN 0.470 nan 8.150 nan 0.000 0.443 2513 L N -1.148 120.117 121.223 0.069 0.000 2.056 2513 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 2513 L C 2.579 179.526 176.870 0.127 0.000 1.078 2513 L CA 1.038 55.936 54.840 0.097 0.000 0.749 2513 L CB -0.568 41.524 42.059 0.054 0.000 0.901 2513 L HN 0.418 nan 8.230 nan 0.000 0.433 2514 L N -0.484 120.793 121.223 0.090 0.000 2.046 2514 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 2514 L C 2.575 179.508 176.870 0.106 0.000 1.077 2514 L CA 1.698 56.583 54.840 0.075 0.000 0.747 2514 L CB -0.451 41.635 42.059 0.045 0.000 0.896 2514 L HN 0.264 nan 8.230 nan 0.000 0.432 2515 C N -1.183 118.207 119.300 0.149 0.000 2.442 2515 C HA -0.194 4.266 4.460 -0.000 0.000 0.279 2515 C C 2.582 177.800 174.990 0.380 0.000 1.237 2515 C CA 1.022 60.181 59.018 0.234 0.000 1.722 2515 C CB -1.267 26.604 27.740 0.219 0.000 2.056 2515 C HN 0.646 nan 8.230 nan 0.000 0.469 2516 F N 1.249 121.316 119.950 0.194 0.000 2.216 2516 F HA -0.139 4.388 4.527 -0.000 0.000 0.300 2516 F C 2.192 178.117 175.800 0.208 0.000 1.085 2516 F CA 1.450 59.575 58.000 0.207 0.000 1.326 2516 F CB -0.250 38.797 39.000 0.080 0.000 1.027 2516 F HN 0.013 nan 8.300 nan 0.000 0.497 2517 V N 0.716 120.787 119.914 0.261 0.000 2.343 2517 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 2517 V C 2.336 178.420 176.094 -0.016 0.000 1.051 2517 V CA 1.817 64.190 62.300 0.121 0.000 1.036 2517 V CB -0.733 31.147 31.823 0.095 0.000 0.654 2517 V HN 0.335 nan 8.190 nan 0.000 0.451 2518 L N -1.122 120.058 121.223 -0.072 0.000 2.651 2518 L HA -0.171 4.169 4.340 -0.000 0.000 0.236 2518 L C 1.263 177.820 176.870 -0.523 0.000 1.173 2518 L CA 1.314 55.979 54.840 -0.292 0.000 0.843 2518 L CB -0.528 41.291 42.059 -0.400 0.000 0.964 2518 L HN 0.453 nan 8.230 nan 0.000 0.454 2519 Y N -0.864 119.321 120.300 -0.191 0.000 2.696 2519 Y HA 0.334 4.884 4.550 -0.000 0.000 0.260 2519 Y C 0.200 175.952 175.900 -0.247 0.000 1.165 2519 Y CA -0.444 57.517 58.100 -0.232 0.000 1.189 2519 Y CB 0.489 38.756 38.460 -0.322 0.000 1.180 2519 Y HN -0.054 nan 8.280 nan 0.000 0.538 2520 K N 0.569 120.912 120.400 -0.095 0.000 2.557 2520 K HA 0.425 4.745 4.320 -0.000 0.000 0.257 2520 K C -0.494 176.078 176.600 -0.047 0.000 0.933 2520 K CA -0.760 55.486 56.287 -0.069 0.000 0.820 2520 K CB 2.665 35.120 32.500 -0.074 0.000 1.330 2520 K HN 0.009 nan 8.250 nan 0.000 0.432 2521 I N 0.000 120.551 120.570 -0.032 0.000 2.984 2521 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 2521 I CA 0.000 61.283 61.300 -0.028 0.000 1.566 2521 I CB 0.000 37.993 38.000 -0.012 0.000 1.214 2521 I HN 0.000 nan 8.210 nan 0.000 0.494