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 1ynt_1_F DATA FIRST_RESID 2003 DATA SEQUENCE PLVANQVVTc PDKKSTAAVI LTPTENHFTL KcPKTALTEP PTLAYSPNRQ DATA SEQUENCE IcPAGTTSSc TSKAVTLSSL IPEAEDSWWT GDSASLDTAG IKLTVPIEKF DATA SEQUENCE PVTTQTFVVG cIKGDDAQSc MVTVTVQARA SSVVNNVARc SYGADSTLGP DATA SEQUENCE VKLSAEGPTT MTLVcGKDGV KVPQDNNQYc SGTTLTGcNE KSFKDILPKL DATA SEQUENCE TENPWQGNAS SDKGATLTIK KEAFPAESKS VIIGcTGGSP EKHHcTVKLE DATA SEQUENCE FA 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 2003 P HA 0.000 nan 4.420 nan 0.000 0.216 2003 P C 0.000 177.309 177.300 0.014 0.000 1.155 2003 P CA 0.000 63.108 63.100 0.013 0.000 0.800 2003 P CB 0.000 31.706 31.700 0.010 0.000 0.726 2004 L N 1.158 122.391 121.223 0.017 0.000 2.295 2004 L HA 0.706 5.060 4.340 0.025 0.000 0.285 2004 L C 0.244 177.129 176.870 0.026 0.000 1.035 2004 L CA -0.870 53.981 54.840 0.019 0.000 0.806 2004 L CB 2.088 44.158 42.059 0.017 0.000 1.214 2004 L HN 0.007 nan 8.230 nan 0.000 0.426 2005 V N 3.058 122.988 119.914 0.027 0.000 3.566 2005 V HA 0.712 4.847 4.120 0.025 0.000 0.254 2005 V C -0.876 175.238 176.094 0.033 0.000 0.864 2005 V CA -0.033 62.289 62.300 0.037 0.000 1.124 2005 V CB 0.829 32.675 31.823 0.037 0.000 0.884 2005 V HN 0.899 nan 8.190 nan 0.000 0.504 2006 A N 3.881 126.722 122.820 0.034 0.000 2.311 2006 A HA 0.802 5.137 4.320 0.025 0.000 0.334 2006 A C 0.754 178.365 177.584 0.044 0.000 1.139 2006 A CA 0.050 52.107 52.037 0.033 0.000 0.830 2006 A CB 0.622 19.638 19.000 0.026 0.000 1.234 2006 A HN 1.515 nan 8.150 nan 0.000 0.483 2007 N N 0.569 119.297 118.700 0.047 0.000 2.686 2007 N HA -0.189 4.566 4.740 0.025 0.000 0.249 2007 N C -0.377 175.187 175.510 0.089 0.000 1.082 2007 N CA 1.220 54.312 53.050 0.070 0.000 0.725 2007 N CB -0.864 37.669 38.487 0.076 0.000 1.009 2007 N HN 0.620 nan 8.380 nan 0.000 0.545 2008 Q N -3.925 115.920 119.800 0.075 0.000 2.487 2008 Q HA -0.182 4.173 4.340 0.025 0.000 0.279 2008 Q C -1.013 175.079 176.000 0.152 0.000 1.228 2008 Q CA 0.906 56.765 55.803 0.093 0.000 0.873 2008 Q CB -2.097 26.698 28.738 0.095 0.000 1.260 2008 Q HN 0.413 nan 8.270 nan 0.000 0.471 2009 V N 1.007 120.987 119.914 0.110 0.000 2.289 2009 V HA 0.266 4.401 4.120 0.025 0.000 0.272 2009 V C 0.545 176.691 176.094 0.087 0.000 1.026 2009 V CA -0.696 61.660 62.300 0.093 0.000 0.807 2009 V CB 1.767 33.610 31.823 0.033 0.000 1.044 2009 V HN 0.142 nan 8.190 nan 0.000 0.443 2010 V N 3.746 123.740 119.914 0.134 0.000 2.655 2010 V HA 0.270 4.405 4.120 0.025 0.000 0.300 2010 V C 0.647 176.774 176.094 0.055 0.000 1.044 2010 V CA 0.335 62.700 62.300 0.109 0.000 1.095 2010 V CB 0.837 32.762 31.823 0.170 0.000 0.952 2010 V HN 0.848 nan 8.190 nan 0.000 0.485 2011 T N 3.973 118.552 114.554 0.042 0.000 2.906 2011 T HA 0.269 4.634 4.350 0.025 0.000 0.302 2011 T C -0.274 174.441 174.700 0.025 0.000 1.002 2011 T CA -0.336 61.778 62.100 0.024 0.000 0.988 2011 T CB 0.889 69.767 68.868 0.017 0.000 0.972 2011 T HN 0.759 nan 8.240 nan 0.000 0.447 2012 c N 6.524 125.137 118.600 0.022 0.000 2.637 2012 c HA 0.498 5.083 4.570 0.025 0.000 0.418 2012 c C -1.499 172.602 174.090 0.017 0.000 1.319 2012 c CA -0.775 55.568 56.329 0.023 0.000 1.949 2012 c CB -0.272 42.251 42.510 0.022 0.000 2.639 2012 c HN 0.636 nan 8.230 nan 0.000 0.594 2013 P HA 0.312 nan 4.420 nan 0.000 0.292 2013 P C -1.410 175.898 177.300 0.013 0.000 1.300 2013 P CA -0.425 62.683 63.100 0.014 0.000 0.900 2013 P CB 1.189 32.898 31.700 0.015 0.000 1.139 2014 D N 2.521 122.927 120.400 0.011 0.000 2.545 2014 D HA 0.195 4.850 4.640 0.025 0.000 0.227 2014 D C 0.450 176.756 176.300 0.010 0.000 1.150 2014 D CA 0.710 54.716 54.000 0.010 0.000 1.046 2014 D CB -0.372 40.433 40.800 0.008 0.000 1.098 2014 D HN 0.368 nan 8.370 nan 0.000 0.502 2015 K N -1.366 119.041 120.400 0.012 0.000 2.960 2015 K HA 0.226 4.561 4.320 0.025 0.000 0.296 2015 K C -1.016 175.592 176.600 0.014 0.000 1.092 2015 K CA -1.158 55.136 56.287 0.012 0.000 0.847 2015 K CB 0.459 32.966 32.500 0.011 0.000 1.458 2015 K HN -0.230 nan 8.250 nan 0.000 0.359 2016 K N 1.970 122.378 120.400 0.014 0.000 2.319 2016 K HA 0.107 4.441 4.320 0.025 0.000 0.277 2016 K C -1.115 175.494 176.600 0.016 0.000 1.111 2016 K CA 0.609 56.906 56.287 0.015 0.000 1.093 2016 K CB -0.279 32.229 32.500 0.014 0.000 0.910 2016 K HN 0.626 nan 8.250 nan 0.000 0.452 2017 S N 1.729 117.441 115.700 0.019 0.000 2.571 2017 S HA 0.532 5.016 4.470 0.025 0.000 0.284 2017 S C -0.305 174.310 174.600 0.025 0.000 1.128 2017 S CA -0.997 57.215 58.200 0.020 0.000 0.970 2017 S CB 1.575 64.787 63.200 0.020 0.000 1.039 2017 S HN 0.350 nan 8.310 nan 0.000 0.485 2018 T N 2.006 116.574 114.554 0.023 0.000 2.923 2018 T HA 0.975 5.340 4.350 0.025 0.000 0.281 2018 T C 0.080 174.797 174.700 0.028 0.000 0.995 2018 T CA -0.333 61.783 62.100 0.027 0.000 0.985 2018 T CB 1.289 70.169 68.868 0.021 0.000 1.114 2018 T HN 1.493 nan 8.240 nan 0.000 0.548 2019 A N -0.278 122.560 122.820 0.030 0.000 2.544 2019 A HA 0.821 5.156 4.320 0.025 0.000 0.291 2019 A C -1.903 175.694 177.584 0.021 0.000 1.055 2019 A CA -0.468 51.587 52.037 0.030 0.000 0.651 2019 A CB 0.614 19.642 19.000 0.046 0.000 1.296 2019 A HN 1.476 nan 8.150 nan 0.000 0.431 2020 A N -0.289 122.535 122.820 0.007 0.000 2.540 2020 A HA 0.708 5.043 4.320 0.025 0.000 0.297 2020 A C -1.511 176.042 177.584 -0.051 0.000 1.056 2020 A CA -0.263 51.758 52.037 -0.026 0.000 0.700 2020 A CB 1.215 20.194 19.000 -0.036 0.000 1.280 2020 A HN 1.905 nan 8.150 nan 0.000 0.398 2021 V N 3.230 123.074 119.914 -0.115 0.000 2.841 2021 V HA 0.586 4.721 4.120 0.025 0.000 0.310 2021 V C -0.855 175.087 176.094 -0.253 0.000 1.090 2021 V CA -0.631 61.569 62.300 -0.168 0.000 0.930 2021 V CB 1.961 33.664 31.823 -0.201 0.000 1.014 2021 V HN 0.760 nan 8.190 nan 0.000 0.425 2022 I N 4.206 124.659 120.570 -0.195 0.000 2.441 2022 I HA 0.490 4.675 4.170 0.025 0.000 0.295 2022 I C -0.346 175.673 176.117 -0.163 0.000 0.994 2022 I CA -0.658 60.534 61.300 -0.179 0.000 1.144 2022 I CB 1.783 39.721 38.000 -0.103 0.000 1.314 2022 I HN 0.351 nan 8.210 nan 0.000 0.445 2023 L N 5.204 126.338 121.223 -0.148 0.000 2.282 2023 L HA 0.485 4.840 4.340 0.025 0.000 0.288 2023 L C 0.470 177.420 176.870 0.133 0.000 1.033 2023 L CA -0.267 54.538 54.840 -0.058 0.000 0.807 2023 L CB 1.801 43.769 42.059 -0.151 0.000 1.209 2023 L HN 0.762 nan 8.230 nan 0.000 0.423 2024 T N -0.580 114.058 114.554 0.139 0.000 2.910 2024 T HA 0.483 4.848 4.350 0.025 0.000 0.287 2024 T C -2.182 172.568 174.700 0.085 0.000 1.050 2024 T CA -1.767 60.389 62.100 0.093 0.000 1.011 2024 T CB 2.163 71.023 68.868 -0.013 0.000 1.195 2024 T HN 0.351 nan 8.240 nan 0.000 0.540 2025 P HA 0.046 nan 4.420 nan 0.000 0.237 2025 P C 1.176 178.410 177.300 -0.109 0.000 1.178 2025 P CA 0.717 63.666 63.100 -0.252 0.000 0.766 2025 P CB -0.208 31.231 31.700 -0.435 0.000 0.876 2026 T N -3.987 110.519 114.554 -0.080 0.000 3.022 2026 T HA 0.198 4.563 4.350 0.025 0.000 0.250 2026 T C 0.635 175.311 174.700 -0.040 0.000 1.060 2026 T CA 0.043 62.105 62.100 -0.065 0.000 1.013 2026 T CB -0.198 68.632 68.868 -0.064 0.000 0.982 2026 T HN 0.087 nan 8.240 nan 0.000 0.508 2027 E N 1.890 122.086 120.200 -0.005 0.000 3.990 2027 E HA 0.145 4.510 4.350 0.025 0.000 0.246 2027 E C -0.106 176.533 176.600 0.064 0.000 1.179 2027 E CA -0.379 56.032 56.400 0.019 0.000 1.287 2027 E CB 0.270 29.981 29.700 0.018 0.000 1.241 2027 E HN 0.347 nan 8.360 nan 0.000 0.406 2028 N N 0.318 119.064 118.700 0.077 0.000 2.515 2028 N HA -0.080 4.675 4.740 0.025 0.000 0.191 2028 N C 0.115 175.680 175.510 0.092 0.000 1.182 2028 N CA 0.205 53.307 53.050 0.086 0.000 0.879 2028 N CB -0.117 38.428 38.487 0.098 0.000 0.984 2028 N HN 0.448 nan 8.380 nan 0.000 0.453 2029 H N -0.303 118.772 119.070 0.009 0.000 2.671 2029 H HA 0.329 4.899 4.556 0.023 0.000 0.372 2029 H C -1.048 174.366 175.328 0.143 0.000 1.227 2029 H CA -0.199 55.878 56.048 0.049 0.000 1.426 2029 H CB 0.834 30.623 29.762 0.044 0.000 1.480 2029 H HN 0.095 nan 8.280 nan 0.000 0.611 2030 F N 0.108 120.018 119.950 -0.067 0.000 2.725 2030 F HA 0.171 4.712 4.527 0.023 0.000 0.311 2030 F C -1.620 174.107 175.800 -0.122 0.000 1.121 2030 F CA -0.532 57.426 58.000 -0.069 0.000 0.978 2030 F CB 2.145 41.119 39.000 -0.043 0.000 1.274 2030 F HN 0.440 nan 8.300 nan 0.000 0.440 2031 T N 5.292 119.829 114.554 -0.027 0.000 3.395 2031 T HA 0.351 4.716 4.350 0.025 0.000 0.330 2031 T C -1.907 172.639 174.700 -0.256 0.000 1.076 2031 T CA -0.450 61.514 62.100 -0.227 0.000 1.070 2031 T CB 1.670 70.465 68.868 -0.121 0.000 1.119 2031 T HN 0.475 nan 8.240 nan 0.000 0.462 2032 L N 3.395 124.426 121.223 -0.321 0.000 2.317 2032 L HA 0.720 5.075 4.340 0.025 0.000 0.281 2032 L C -0.814 175.995 176.870 -0.101 0.000 1.024 2032 L CA -0.271 54.451 54.840 -0.197 0.000 0.810 2032 L CB 0.853 42.776 42.059 -0.227 0.000 1.240 2032 L HN 0.543 nan 8.230 nan 0.000 0.427 2033 K N 5.251 125.621 120.400 -0.050 0.000 2.705 2033 K HA 0.363 4.698 4.320 0.025 0.000 0.238 2033 K C -1.324 175.266 176.600 -0.017 0.000 0.996 2033 K CA -0.540 55.726 56.287 -0.035 0.000 1.007 2033 K CB 1.082 33.566 32.500 -0.027 0.000 1.206 2033 K HN 0.565 nan 8.250 nan 0.000 0.488 2034 c N 3.044 121.633 118.600 -0.019 0.000 2.443 2034 c HA 0.402 4.987 4.570 0.025 0.000 0.369 2034 c C -1.416 172.669 174.090 -0.008 0.000 1.241 2034 c CA -1.330 54.995 56.329 -0.006 0.000 2.413 2034 c CB 0.259 42.766 42.510 -0.005 0.000 2.451 2034 c HN 0.625 nan 8.230 nan 0.000 0.595 2035 P HA -0.069 nan 4.420 nan 0.000 0.275 2035 P C 0.240 177.537 177.300 -0.005 0.000 1.262 2035 P CA 0.326 63.425 63.100 -0.002 0.000 0.834 2035 P CB 0.535 32.237 31.700 0.003 0.000 1.098 2036 K N -0.649 119.748 120.400 -0.004 0.000 2.296 2036 K HA -0.053 4.282 4.320 0.025 0.000 0.200 2036 K C 1.744 178.343 176.600 -0.002 0.000 1.048 2036 K CA 1.543 57.827 56.287 -0.005 0.000 0.966 2036 K CB -0.222 32.275 32.500 -0.004 0.000 0.754 2036 K HN 0.586 nan 8.250 nan 0.000 0.466 2037 T N -1.022 113.532 114.554 0.001 0.000 2.815 2037 T HA 0.228 4.593 4.350 0.025 0.000 0.244 2037 T C 1.296 176.000 174.700 0.006 0.000 1.040 2037 T CA 0.256 62.359 62.100 0.004 0.000 1.176 2037 T CB -0.554 68.317 68.868 0.004 0.000 0.880 2037 T HN 0.151 nan 8.240 nan 0.000 0.414 2038 A N 1.522 124.346 122.820 0.007 0.000 2.454 2038 A HA 0.547 4.882 4.320 0.025 0.000 0.256 2038 A C -0.043 177.547 177.584 0.010 0.000 1.132 2038 A CA -0.005 52.038 52.037 0.009 0.000 0.810 2038 A CB -0.503 18.503 19.000 0.010 0.000 1.083 2038 A HN 0.619 nan 8.150 nan 0.000 0.516 2039 L N -1.533 119.698 121.223 0.014 0.000 2.415 2039 L HA 0.424 4.779 4.340 0.025 0.000 0.256 2039 L C 0.657 177.537 176.870 0.016 0.000 1.010 2039 L CA -0.573 54.277 54.840 0.016 0.000 0.826 2039 L CB 2.337 44.416 42.059 0.033 0.000 1.405 2039 L HN 0.966 nan 8.230 nan 0.000 0.410 2040 T N -1.838 112.721 114.554 0.008 0.000 2.946 2040 T HA -0.055 4.310 4.350 0.025 0.000 0.312 2040 T C 0.985 175.698 174.700 0.021 0.000 1.066 2040 T CA 0.337 62.441 62.100 0.007 0.000 1.138 2040 T CB 0.961 69.820 68.868 -0.015 0.000 1.014 2040 T HN 0.767 nan 8.240 nan 0.000 0.544 2041 E N 3.686 123.903 120.200 0.027 0.000 2.021 2041 E HA -0.060 4.305 4.350 0.025 0.000 0.200 2041 E C -1.314 175.299 176.600 0.022 0.000 1.015 2041 E CA 1.298 57.715 56.400 0.030 0.000 0.824 2041 E CB -1.395 28.331 29.700 0.043 0.000 0.762 2041 E HN 0.719 nan 8.360 nan 0.000 0.454 2042 P HA 0.145 nan 4.420 nan 0.000 0.266 2042 P C -2.436 174.868 177.300 0.006 0.000 1.586 2042 P CA -1.456 61.643 63.100 -0.001 0.000 1.088 2042 P CB 1.346 33.035 31.700 -0.019 0.000 1.584 2043 P HA -0.294 nan 4.420 nan 0.000 0.219 2043 P C 1.895 179.296 177.300 0.168 0.000 1.158 2043 P CA 2.641 65.804 63.100 0.105 0.000 0.895 2043 P CB -0.601 31.142 31.700 0.072 0.000 0.792 2044 T N -1.929 112.669 114.554 0.074 0.000 2.718 2044 T HA -0.277 4.088 4.350 0.025 0.000 0.266 2044 T C 1.674 176.366 174.700 -0.013 0.000 1.033 2044 T CA 1.680 63.810 62.100 0.049 0.000 1.151 2044 T CB -1.486 67.353 68.868 -0.048 0.000 0.853 2044 T HN -0.026 nan 8.240 nan 0.000 0.466 2045 L N 1.603 122.766 121.223 -0.100 0.000 2.189 2045 L HA 0.184 4.539 4.340 0.025 0.000 0.214 2045 L C 2.532 179.225 176.870 -0.295 0.000 1.097 2045 L CA 1.635 56.325 54.840 -0.250 0.000 0.764 2045 L CB -0.983 40.974 42.059 -0.170 0.000 0.900 2045 L HN 0.482 nan 8.230 nan 0.000 0.436 2046 A N -2.743 119.932 122.820 -0.241 0.000 2.275 2046 A HA 0.196 4.531 4.320 0.025 0.000 0.212 2046 A C -0.340 176.774 177.584 -0.784 0.000 1.201 2046 A CA -0.110 51.634 52.037 -0.488 0.000 0.843 2046 A CB -0.453 18.213 19.000 -0.558 0.000 0.873 2046 A HN 0.402 nan 8.150 nan 0.000 0.492 2047 Y N -2.297 117.899 120.300 -0.174 0.000 2.462 2047 Y HA 0.408 4.973 4.550 0.025 0.000 0.346 2047 Y C 1.398 177.187 175.900 -0.186 0.000 0.976 2047 Y CA -0.666 57.346 58.100 -0.147 0.000 1.044 2047 Y CB 1.669 40.060 38.460 -0.114 0.000 1.230 2047 Y HN -0.021 nan 8.280 nan 0.000 0.455 2048 S N 1.699 117.388 115.700 -0.019 0.000 2.571 2048 S HA -0.035 4.450 4.470 0.025 0.000 0.245 2048 S C -1.218 173.335 174.600 -0.079 0.000 0.976 2048 S CA 0.685 58.840 58.200 -0.074 0.000 0.954 2048 S CB -0.655 62.523 63.200 -0.037 0.000 0.756 2048 S HN 0.598 nan 8.310 nan 0.000 0.535 2049 P HA 0.061 nan 4.420 nan 0.000 0.206 2049 P C -0.344 176.890 177.300 -0.111 0.000 1.093 2049 P CA 0.611 63.668 63.100 -0.071 0.000 0.703 2049 P CB -0.026 31.638 31.700 -0.060 0.000 0.622 2050 N N -0.100 118.532 118.700 -0.113 0.000 3.271 2050 N HA 0.115 4.870 4.740 0.025 0.000 0.303 2050 N C -0.512 174.891 175.510 -0.178 0.000 1.415 2050 N CA -0.389 52.583 53.050 -0.131 0.000 1.159 2050 N CB -0.361 38.069 38.487 -0.096 0.000 1.432 2050 N HN -0.053 nan 8.380 nan 0.000 0.521 2051 R N 1.171 121.505 120.500 -0.278 0.000 2.474 2051 R HA -0.118 4.237 4.340 0.025 0.000 0.290 2051 R C -0.123 175.994 176.300 -0.306 0.000 0.918 2051 R CA 0.796 56.653 56.100 -0.405 0.000 1.130 2051 R CB 0.027 29.824 30.300 -0.838 0.000 0.881 2051 R HN 0.635 nan 8.270 nan 0.000 0.416 2052 Q N 2.382 122.043 119.800 -0.231 0.000 2.351 2052 Q HA 0.619 4.974 4.340 0.025 0.000 0.273 2052 Q C -0.078 175.839 176.000 -0.139 0.000 1.077 2052 Q CA -0.963 54.750 55.803 -0.151 0.000 0.843 2052 Q CB 2.388 31.070 28.738 -0.093 0.000 1.367 2052 Q HN 0.503 nan 8.270 nan 0.000 0.449 2053 I N -1.716 118.792 120.570 -0.103 0.000 2.534 2053 I HA 0.343 4.528 4.170 0.025 0.000 0.286 2053 I C -0.519 175.597 176.117 -0.002 0.000 1.094 2053 I CA -0.905 60.346 61.300 -0.081 0.000 1.055 2053 I CB 0.153 37.993 38.000 -0.268 0.000 1.225 2053 I HN 0.614 nan 8.210 nan 0.000 0.435 2054 c N 8.142 126.770 118.600 0.046 0.000 2.608 2054 c HA 0.119 4.704 4.570 0.025 0.000 0.407 2054 c C -1.151 173.010 174.090 0.118 0.000 1.322 2054 c CA 0.145 56.516 56.329 0.070 0.000 1.778 2054 c CB -0.521 42.035 42.510 0.076 0.000 2.654 2054 c HN 0.664 nan 8.230 nan 0.000 0.622 2055 P HA 0.229 nan 4.420 nan 0.000 0.275 2055 P C -0.785 176.598 177.300 0.139 0.000 1.270 2055 P CA -0.072 63.103 63.100 0.125 0.000 0.791 2055 P CB 0.474 32.223 31.700 0.082 0.000 1.089 2056 A N -0.794 122.103 122.820 0.128 0.000 2.388 2056 A HA 0.486 4.821 4.320 0.025 0.000 0.257 2056 A C 1.274 178.896 177.584 0.063 0.000 1.095 2056 A CA 0.397 52.490 52.037 0.093 0.000 0.791 2056 A CB -1.315 17.724 19.000 0.065 0.000 1.029 2056 A HN 0.868 nan 8.150 nan 0.000 0.489 2057 G N 1.491 110.322 108.800 0.051 0.000 2.136 2057 G HA2 -0.154 3.821 3.960 0.025 0.000 0.242 2057 G HA3 -0.154 3.821 3.960 0.025 0.000 0.242 2057 G C 0.361 175.286 174.900 0.042 0.000 0.989 2057 G CA 0.723 45.846 45.100 0.039 0.000 0.682 2057 G HN 2.037 nan 8.290 nan 0.000 0.522 2058 T N -0.672 113.915 114.554 0.054 0.000 2.780 2058 T HA 0.647 5.012 4.350 0.025 0.000 0.294 2058 T C 0.264 174.991 174.700 0.045 0.000 0.949 2058 T CA 0.315 62.445 62.100 0.049 0.000 1.074 2058 T CB 2.188 71.091 68.868 0.059 0.000 0.910 2058 T HN 0.265 nan 8.240 nan 0.000 0.501 2059 T N 2.787 117.362 114.554 0.035 0.000 2.950 2059 T HA 0.701 5.066 4.350 0.025 0.000 0.288 2059 T C 0.601 175.318 174.700 0.028 0.000 1.035 2059 T CA 0.192 62.310 62.100 0.031 0.000 1.028 2059 T CB 1.495 70.378 68.868 0.025 0.000 1.109 2059 T HN 1.188 nan 8.240 nan 0.000 0.514 2060 S N 0.955 116.670 115.700 0.026 0.000 3.820 2060 S HA -0.184 4.301 4.470 0.025 0.000 0.628 2060 S C 0.383 174.998 174.600 0.025 0.000 2.302 2060 S CA 1.053 59.266 58.200 0.022 0.000 3.868 2060 S CB -1.527 61.684 63.200 0.019 0.000 0.241 2060 S HN 0.879 nan 8.310 nan 0.000 0.946 2061 S N -0.641 115.072 115.700 0.022 0.000 2.801 2061 S HA 0.720 5.205 4.470 0.025 0.000 0.312 2061 S C 0.356 174.969 174.600 0.022 0.000 1.112 2061 S CA -0.113 58.100 58.200 0.022 0.000 0.943 2061 S CB 1.530 64.739 63.200 0.015 0.000 1.269 2061 S HN 1.873 nan 8.310 nan 0.000 0.558 2062 c N -0.398 118.214 118.600 0.020 0.000 3.724 2062 c HA 0.318 4.903 4.570 0.025 0.000 0.325 2062 c C 1.825 175.921 174.090 0.010 0.000 2.763 2062 c CA 0.036 56.376 56.329 0.019 0.000 1.574 2062 c CB -1.698 40.828 42.510 0.028 0.000 3.199 2062 c HN 0.964 nan 8.230 nan 0.000 0.384 2063 T N 0.291 114.848 114.554 0.005 0.000 2.714 2063 T HA -0.274 4.091 4.350 0.025 0.000 0.268 2063 T C 1.655 176.353 174.700 -0.004 0.000 1.036 2063 T CA 2.666 64.764 62.100 -0.002 0.000 1.148 2063 T CB -0.805 68.060 68.868 -0.005 0.000 0.856 2063 T HN 1.248 nan 8.240 nan 0.000 0.462 2064 S N 0.627 116.328 115.700 0.001 0.000 2.524 2064 S HA 0.218 4.703 4.470 0.025 0.000 0.216 2064 S C 1.595 176.197 174.600 0.004 0.000 0.987 2064 S CA -0.286 57.915 58.200 0.000 0.000 0.909 2064 S CB -0.101 63.100 63.200 0.002 0.000 0.781 2064 S HN 0.645 nan 8.310 nan 0.000 0.521 2065 K N 1.035 121.440 120.400 0.009 0.000 2.374 2065 K HA 0.473 4.808 4.320 0.025 0.000 0.202 2065 K C 0.734 177.343 176.600 0.014 0.000 1.040 2065 K CA 0.170 56.466 56.287 0.014 0.000 1.085 2065 K CB 0.661 33.174 32.500 0.022 0.000 0.873 2065 K HN 0.415 nan 8.250 nan 0.000 0.539 2066 A N 1.667 124.491 122.820 0.006 0.000 2.567 2066 A HA 0.254 4.588 4.320 0.025 0.000 0.236 2066 A C 0.367 177.948 177.584 -0.005 0.000 1.088 2066 A CA 0.179 52.215 52.037 -0.001 0.000 0.776 2066 A CB 0.115 19.106 19.000 -0.016 0.000 1.033 2066 A HN 0.128 nan 8.150 nan 0.000 0.513 2067 V N -2.562 117.344 119.914 -0.014 0.000 3.167 2067 V HA 0.685 4.820 4.120 0.025 0.000 0.293 2067 V C -0.180 175.892 176.094 -0.036 0.000 1.379 2067 V CA -0.376 61.915 62.300 -0.015 0.000 1.019 2067 V CB 1.023 32.851 31.823 0.009 0.000 1.115 2067 V HN 1.570 nan 8.190 nan 0.000 0.442 2068 T N 0.529 115.060 114.554 -0.037 0.000 2.907 2068 T HA 0.404 4.769 4.350 0.025 0.000 0.298 2068 T C 0.954 175.633 174.700 -0.035 0.000 1.017 2068 T CA 0.239 62.307 62.100 -0.053 0.000 1.118 2068 T CB 1.345 70.180 68.868 -0.054 0.000 0.948 2068 T HN 1.209 nan 8.240 nan 0.000 0.531 2069 L N 2.701 123.905 121.223 -0.032 0.000 2.081 2069 L HA -0.107 4.248 4.340 0.025 0.000 0.212 2069 L C 2.596 179.471 176.870 0.008 0.000 1.080 2069 L CA 1.888 56.728 54.840 0.000 0.000 0.754 2069 L CB -1.307 40.812 42.059 0.099 0.000 0.893 2069 L HN 0.875 nan 8.230 nan 0.000 0.433 2070 S N -0.496 115.184 115.700 -0.032 0.000 2.387 2070 S HA -0.190 4.295 4.470 0.025 0.000 0.230 2070 S C 1.805 176.414 174.600 0.015 0.000 1.035 2070 S CA 1.337 59.520 58.200 -0.028 0.000 1.014 2070 S CB -0.702 62.466 63.200 -0.055 0.000 0.836 2070 S HN 0.792 nan 8.310 nan 0.000 0.466 2071 S N 0.500 116.209 115.700 0.016 0.000 2.723 2071 S HA 0.162 4.647 4.470 0.025 0.000 0.231 2071 S C 1.062 175.696 174.600 0.057 0.000 0.967 2071 S CA 0.417 58.635 58.200 0.031 0.000 0.958 2071 S CB -0.403 62.811 63.200 0.023 0.000 0.778 2071 S HN 0.433 nan 8.310 nan 0.000 0.537 2072 L N -0.930 120.339 121.223 0.076 0.000 2.769 2072 L HA 0.486 4.841 4.340 0.025 0.000 0.175 2072 L C 0.486 177.426 176.870 0.116 0.000 1.099 2072 L CA 0.007 54.912 54.840 0.109 0.000 0.876 2072 L CB 0.093 42.248 42.059 0.161 0.000 1.498 2072 L HN 0.195 nan 8.230 nan 0.000 0.499 2073 I N 3.297 123.947 120.570 0.134 0.000 2.325 2073 I HA 0.120 4.305 4.170 0.025 0.000 0.285 2073 I C -1.298 174.901 176.117 0.136 0.000 1.128 2073 I CA -1.379 60.025 61.300 0.173 0.000 1.261 2073 I CB 0.667 38.840 38.000 0.287 0.000 1.529 2073 I HN 0.028 nan 8.210 nan 0.000 0.557 2074 P HA -0.264 nan 4.420 nan 0.000 0.223 2074 P C 0.652 177.986 177.300 0.058 0.000 1.153 2074 P CA 1.690 64.830 63.100 0.066 0.000 0.853 2074 P CB 0.227 31.970 31.700 0.072 0.000 0.777 2075 E N -0.931 119.342 120.200 0.121 0.000 2.419 2075 E HA 0.346 4.711 4.350 0.025 0.000 0.190 2075 E C 0.830 177.429 176.600 -0.001 0.000 1.040 2075 E CA -0.504 55.977 56.400 0.136 0.000 0.900 2075 E CB 0.030 29.881 29.700 0.251 0.000 1.054 2075 E HN 0.255 nan 8.360 nan 0.000 0.462 2076 A N 1.613 124.256 122.820 -0.296 0.000 2.536 2076 A HA 0.094 4.429 4.320 0.025 0.000 0.234 2076 A C 0.387 177.444 177.584 -0.878 0.000 1.076 2076 A CA 0.373 51.769 52.037 -1.069 0.000 0.769 2076 A CB 0.399 19.058 19.000 -0.568 0.000 1.020 2076 A HN 0.064 nan 8.150 nan 0.000 0.508 2077 E N -0.672 118.783 120.200 -1.243 0.000 2.390 2077 E HA 0.102 4.466 4.350 0.025 0.000 0.280 2077 E C -0.368 176.055 176.600 -0.294 0.000 0.992 2077 E CA -0.452 55.591 56.400 -0.595 0.000 0.790 2077 E CB 1.575 31.025 29.700 -0.417 0.000 1.248 2077 E HN 0.717 nan 8.360 nan 0.000 0.447 2078 D N 0.432 120.811 120.400 -0.034 0.000 2.218 2078 D HA -0.136 4.519 4.640 0.025 0.000 0.204 2078 D C 1.454 177.953 176.300 0.331 0.000 0.976 2078 D CA 1.843 55.949 54.000 0.176 0.000 0.853 2078 D CB 0.340 41.142 40.800 0.003 0.000 0.939 2078 D HN 0.339 nan 8.370 nan 0.000 0.481 2079 S N -0.667 115.141 115.700 0.180 0.000 2.440 2079 S HA -0.182 4.303 4.470 0.025 0.000 0.240 2079 S C 1.458 176.291 174.600 0.388 0.000 1.014 2079 S CA 0.620 58.970 58.200 0.251 0.000 0.980 2079 S CB -0.792 62.548 63.200 0.233 0.000 0.775 2079 S HN 0.386 nan 8.310 nan 0.000 0.499 2080 W N 0.673 122.017 121.300 0.073 0.000 2.937 2080 W HA 0.389 5.058 4.660 0.014 0.000 0.245 2080 W C -0.021 176.367 176.519 -0.219 0.000 1.306 2080 W CA -1.819 55.445 57.345 -0.135 0.000 1.470 2080 W CB -1.231 28.038 29.460 -0.318 0.000 1.132 2080 W HN 0.295 nan 8.180 nan 0.000 0.675 2081 W N -0.213 121.198 121.300 0.185 0.000 2.578 2081 W HA 0.515 5.188 4.660 0.020 0.000 0.346 2081 W C 0.159 176.701 176.519 0.039 0.000 1.075 2081 W CA -0.671 56.721 57.345 0.078 0.000 1.233 2081 W CB 0.829 30.296 29.460 0.012 0.000 1.358 2081 W HN -0.558 nan 8.180 nan 0.000 0.574 2082 T N 1.948 116.655 114.554 0.254 0.000 3.298 2082 T HA 0.545 4.909 4.350 0.025 0.000 0.318 2082 T C -0.414 174.331 174.700 0.075 0.000 1.165 2082 T CA -0.648 61.526 62.100 0.124 0.000 1.557 2082 T CB 0.028 68.943 68.868 0.078 0.000 0.898 2082 T HN 0.749 nan 8.240 nan 0.000 0.585 2083 G N 1.659 110.491 108.800 0.053 0.000 2.601 2083 G HA2 0.688 4.663 3.960 0.025 0.000 0.291 2083 G HA3 0.688 4.663 3.960 0.025 0.000 0.291 2083 G C -1.897 172.941 174.900 -0.102 0.000 1.456 2083 G CA -0.712 44.375 45.100 -0.023 0.000 0.804 2083 G HN 0.504 nan 8.290 nan 0.000 0.499 2084 D N -2.081 118.221 120.400 -0.163 0.000 3.103 2084 D HA 0.541 5.196 4.640 0.025 0.000 0.337 2084 D C 1.000 177.086 176.300 -0.355 0.000 1.356 2084 D CA 0.343 54.177 54.000 -0.276 0.000 0.951 2084 D CB 0.686 41.377 40.800 -0.183 0.000 1.438 2084 D HN 0.425 nan 8.370 nan 0.000 0.562 2085 S N -1.359 114.076 115.700 -0.441 0.000 2.388 2085 S HA 0.129 4.614 4.470 0.025 0.000 0.223 2085 S C 1.989 176.502 174.600 -0.144 0.000 1.034 2085 S CA 0.862 58.854 58.200 -0.347 0.000 0.963 2085 S CB -0.878 62.141 63.200 -0.302 0.000 0.827 2085 S HN 0.628 nan 8.310 nan 0.000 0.481 2086 A N 0.586 123.345 122.820 -0.101 0.000 2.259 2086 A HA 0.183 4.518 4.320 0.025 0.000 0.212 2086 A C 0.801 178.353 177.584 -0.053 0.000 1.178 2086 A CA 0.585 52.590 52.037 -0.053 0.000 0.734 2086 A CB -0.306 18.672 19.000 -0.035 0.000 0.774 2086 A HN 0.386 nan 8.150 nan 0.000 0.481 2087 S N -0.575 115.080 115.700 -0.075 0.000 2.640 2087 S HA 0.682 5.167 4.470 0.025 0.000 0.320 2087 S C -0.442 174.119 174.600 -0.064 0.000 1.097 2087 S CA -0.325 57.838 58.200 -0.062 0.000 1.092 2087 S CB 0.769 63.931 63.200 -0.062 0.000 0.988 2087 S HN 0.320 nan 8.310 nan 0.000 0.470 2088 L N 3.732 124.928 121.223 -0.045 0.000 2.679 2088 L HA 0.237 4.592 4.340 0.025 0.000 0.314 2088 L C -0.610 176.245 176.870 -0.025 0.000 1.303 2088 L CA -0.011 54.806 54.840 -0.038 0.000 0.677 2088 L CB 0.422 42.458 42.059 -0.038 0.000 1.040 2088 L HN 0.754 nan 8.230 nan 0.000 0.531 2089 D N -2.654 117.733 120.400 -0.023 0.000 3.220 2089 D HA -0.060 4.595 4.640 0.025 0.000 0.445 2089 D C 0.403 176.695 176.300 -0.014 0.000 0.966 2089 D CA 0.858 54.849 54.000 -0.015 0.000 0.984 2089 D CB 0.019 40.812 40.800 -0.011 0.000 1.740 2089 D HN 0.303 nan 8.370 nan 0.000 0.291 2090 T N -2.665 111.878 114.554 -0.019 0.000 3.517 2090 T HA 0.548 4.913 4.350 0.025 0.000 0.190 2090 T C 1.762 176.449 174.700 -0.022 0.000 0.906 2090 T CA 1.127 63.217 62.100 -0.017 0.000 1.009 2090 T CB -0.057 68.802 68.868 -0.015 0.000 1.158 2090 T HN 0.111 nan 8.240 nan 0.000 0.312 2091 A N 1.797 124.601 122.820 -0.027 0.000 1.865 2091 A HA 0.697 5.032 4.320 0.025 0.000 0.216 2091 A C 1.833 179.389 177.584 -0.046 0.000 1.315 2091 A CA 1.914 53.931 52.037 -0.033 0.000 0.605 2091 A CB -1.300 17.683 19.000 -0.030 0.000 0.984 2091 A HN 1.960 nan 8.150 nan 0.000 0.470 2092 G N -1.620 107.148 108.800 -0.053 0.000 2.594 2092 G HA2 -0.017 3.958 3.960 0.025 0.000 0.217 2092 G HA3 -0.017 3.958 3.960 0.025 0.000 0.217 2092 G C -0.470 174.386 174.900 -0.074 0.000 1.163 2092 G CA -0.201 44.858 45.100 -0.068 0.000 1.074 2092 G HN 0.865 nan 8.290 nan 0.000 0.589 2093 I N 1.320 121.834 120.570 -0.092 0.000 2.497 2093 I HA 0.412 4.597 4.170 0.025 0.000 0.284 2093 I C -0.198 175.850 176.117 -0.114 0.000 1.060 2093 I CA -0.518 60.748 61.300 -0.056 0.000 1.071 2093 I CB 2.028 40.004 38.000 -0.040 0.000 1.216 2093 I HN 0.521 nan 8.210 nan 0.000 0.442 2094 K N 6.774 127.152 120.400 -0.037 0.000 2.263 2094 K HA 0.462 4.797 4.320 0.025 0.000 0.272 2094 K C -1.259 175.295 176.600 -0.077 0.000 1.033 2094 K CA -0.658 55.572 56.287 -0.095 0.000 0.884 2094 K CB 1.236 33.688 32.500 -0.079 0.000 1.107 2094 K HN 0.434 nan 8.250 nan 0.000 0.460 2095 L N 4.689 125.810 121.223 -0.171 0.000 2.297 2095 L HA 0.366 4.721 4.340 0.025 0.000 0.277 2095 L C -1.211 175.601 176.870 -0.097 0.000 1.040 2095 L CA 0.273 54.908 54.840 -0.343 0.000 0.867 2095 L CB 1.150 43.043 42.059 -0.276 0.000 1.244 2095 L HN 0.559 nan 8.230 nan 0.000 0.433 2096 T N 4.770 119.253 114.554 -0.118 0.000 2.756 2096 T HA 0.593 4.958 4.350 0.025 0.000 0.290 2096 T C -0.463 174.037 174.700 -0.333 0.000 0.985 2096 T CA -0.322 61.726 62.100 -0.087 0.000 0.955 2096 T CB 1.149 70.026 68.868 0.015 0.000 0.930 2096 T HN 0.305 nan 8.240 nan 0.000 0.451 2097 V N 6.277 125.913 119.914 -0.463 0.000 2.459 2097 V HA 0.398 4.532 4.120 0.025 0.000 0.295 2097 V C -2.389 173.323 176.094 -0.637 0.000 1.029 2097 V CA -2.632 59.101 62.300 -0.944 0.000 0.874 2097 V CB 1.461 32.741 31.823 -0.906 0.000 0.985 2097 V HN 0.628 nan 8.190 nan 0.000 0.438 2098 P HA 0.189 nan 4.420 nan 0.000 0.271 2098 P C 1.095 178.391 177.300 -0.006 0.000 1.226 2098 P CA -0.198 62.730 63.100 -0.286 0.000 0.765 2098 P CB 0.516 32.052 31.700 -0.273 0.000 0.835 2099 I N 4.029 124.673 120.570 0.124 0.000 2.074 2099 I HA -0.292 3.893 4.170 0.025 0.000 0.238 2099 I C 2.161 178.378 176.117 0.167 0.000 1.037 2099 I CA 1.984 63.385 61.300 0.168 0.000 1.301 2099 I CB -1.638 36.310 38.000 -0.088 0.000 1.016 2099 I HN 0.512 nan 8.210 nan 0.000 0.400 2100 E N 1.216 121.446 120.200 0.050 0.000 2.394 2100 E HA -0.242 4.122 4.350 0.025 0.000 0.202 2100 E C 1.347 178.008 176.600 0.102 0.000 1.029 2100 E CA 1.173 57.604 56.400 0.052 0.000 0.855 2100 E CB -0.479 29.242 29.700 0.036 0.000 0.770 2100 E HN 0.473 nan 8.360 nan 0.000 0.527 2101 K N 0.071 120.543 120.400 0.121 0.000 2.358 2101 K HA 0.182 4.517 4.320 0.025 0.000 0.197 2101 K C 0.139 176.834 176.600 0.158 0.000 1.025 2101 K CA -0.406 55.949 56.287 0.113 0.000 1.104 2101 K CB -0.093 32.413 32.500 0.010 0.000 0.855 2101 K HN 0.028 nan 8.250 nan 0.000 0.531 2102 F N 3.346 123.267 119.950 -0.047 0.000 2.657 2102 F HA -0.060 4.481 4.527 0.022 0.000 0.347 2102 F C -1.329 174.494 175.800 0.038 0.000 1.180 2102 F CA -1.112 56.878 58.000 -0.017 0.000 1.383 2102 F CB -0.362 38.613 39.000 -0.042 0.000 1.077 2102 F HN 0.016 nan 8.300 nan 0.000 0.622 2103 P HA 0.011 nan 4.420 nan 0.000 0.271 2103 P C 0.711 178.092 177.300 0.136 0.000 1.218 2103 P CA -0.106 63.083 63.100 0.148 0.000 0.780 2103 P CB 0.902 32.673 31.700 0.118 0.000 0.901 2104 V N 1.317 121.295 119.914 0.106 0.000 2.317 2104 V HA -0.200 3.934 4.120 0.025 0.000 0.251 2104 V C 1.750 177.886 176.094 0.071 0.000 1.065 2104 V CA 2.709 65.059 62.300 0.083 0.000 1.049 2104 V CB -1.526 30.340 31.823 0.071 0.000 0.651 2104 V HN 0.859 nan 8.190 nan 0.000 0.450 2105 T N -4.046 110.551 114.554 0.072 0.000 2.633 2105 T HA 0.357 4.722 4.350 0.025 0.000 0.262 2105 T C -0.175 174.566 174.700 0.068 0.000 0.920 2105 T CA -0.392 61.742 62.100 0.057 0.000 1.062 2105 T CB 1.622 70.517 68.868 0.045 0.000 1.390 2105 T HN 0.059 nan 8.240 nan 0.000 0.549 2106 T N 2.031 116.615 114.554 0.050 0.000 2.837 2106 T HA 0.569 4.934 4.350 0.025 0.000 0.285 2106 T C -0.666 174.057 174.700 0.038 0.000 0.984 2106 T CA -0.618 61.509 62.100 0.045 0.000 1.049 2106 T CB 1.019 69.901 68.868 0.023 0.000 0.947 2106 T HN 0.455 nan 8.240 nan 0.000 0.472 2107 Q N 1.808 121.628 119.800 0.034 0.000 2.387 2107 Q HA 0.635 4.990 4.340 0.025 0.000 0.273 2107 Q C -0.398 175.590 176.000 -0.019 0.000 1.089 2107 Q CA -0.793 55.035 55.803 0.042 0.000 0.824 2107 Q CB 2.303 31.101 28.738 0.100 0.000 1.367 2107 Q HN 0.852 nan 8.270 nan 0.000 0.443 2108 T N -1.300 113.255 114.554 0.001 0.000 2.906 2108 T HA 0.883 5.248 4.350 0.025 0.000 0.295 2108 T C -0.587 174.146 174.700 0.054 0.000 1.061 2108 T CA -0.728 61.316 62.100 -0.095 0.000 1.000 2108 T CB 1.180 70.011 68.868 -0.063 0.000 1.103 2108 T HN 0.494 nan 8.240 nan 0.000 0.486 2109 F N -1.269 118.707 119.950 0.043 0.000 2.725 2109 F HA 0.706 5.248 4.527 0.024 0.000 0.309 2109 F C -1.938 173.912 175.800 0.083 0.000 1.132 2109 F CA -1.637 56.404 58.000 0.068 0.000 0.957 2109 F CB 0.260 39.317 39.000 0.095 0.000 1.286 2109 F HN 0.543 nan 8.300 nan 0.000 0.440 2110 V N 1.654 121.828 119.914 0.434 0.000 2.834 2110 V HA 0.783 4.918 4.120 0.025 0.000 0.313 2110 V C -0.147 176.168 176.094 0.368 0.000 1.060 2110 V CA -0.460 62.031 62.300 0.318 0.000 0.989 2110 V CB 1.696 33.624 31.823 0.174 0.000 1.041 2110 V HN 1.249 nan 8.190 nan 0.000 0.459 2111 V N -0.147 119.946 119.914 0.298 0.000 3.829 2111 V HA 0.576 4.711 4.120 0.025 0.000 0.409 2111 V C 0.265 176.457 176.094 0.164 0.000 1.319 2111 V CA -0.024 62.419 62.300 0.239 0.000 1.906 2111 V CB 0.022 32.042 31.823 0.328 0.000 0.812 2111 V HN 0.919 nan 8.190 nan 0.000 0.520 2112 G N 0.186 109.058 108.800 0.119 0.000 2.516 2112 G HA2 0.471 4.446 3.960 0.025 0.000 0.276 2112 G HA3 0.471 4.446 3.960 0.025 0.000 0.276 2112 G C -0.299 174.636 174.900 0.058 0.000 1.390 2112 G CA -0.174 44.977 45.100 0.086 0.000 1.050 2112 G HN 0.773 nan 8.290 nan 0.000 0.519 2113 c N 0.110 118.737 118.600 0.045 0.000 2.396 2113 c HA 0.589 5.174 4.570 0.025 0.000 0.321 2113 c C 0.043 174.149 174.090 0.027 0.000 1.233 2113 c CA -0.621 55.727 56.329 0.031 0.000 1.440 2113 c CB -0.406 42.119 42.510 0.025 0.000 2.110 2113 c HN 0.621 nan 8.230 nan 0.000 0.473 2114 I N 0.189 120.773 120.570 0.023 0.000 2.474 2114 I HA 0.638 4.822 4.170 0.025 0.000 0.294 2114 I C -0.538 175.589 176.117 0.016 0.000 1.005 2114 I CA -0.569 60.743 61.300 0.020 0.000 1.113 2114 I CB 1.523 39.535 38.000 0.020 0.000 1.289 2114 I HN 0.587 nan 8.210 nan 0.000 0.436 2115 K N 4.693 125.101 120.400 0.014 0.000 2.530 2115 K HA 0.468 4.803 4.320 0.025 0.000 0.230 2115 K C 0.810 177.416 176.600 0.010 0.000 1.002 2115 K CA 0.282 56.575 56.287 0.011 0.000 1.014 2115 K CB 0.888 33.394 32.500 0.010 0.000 1.286 2115 K HN 1.064 nan 8.250 nan 0.000 0.480 2116 G N 3.251 112.056 108.800 0.009 0.000 4.328 2116 G HA2 -0.392 3.583 3.960 0.025 0.000 0.222 2116 G HA3 -0.392 3.583 3.960 0.025 0.000 0.222 2116 G C 0.155 175.059 174.900 0.008 0.000 1.366 2116 G CA 0.973 46.078 45.100 0.007 0.000 1.115 2116 G HN 0.631 nan 8.290 nan 0.000 0.667 2117 D N 0.161 120.566 120.400 0.008 0.000 2.217 2117 D HA 0.545 5.200 4.640 0.025 0.000 0.248 2117 D C 1.027 177.333 176.300 0.011 0.000 1.008 2117 D CA -0.278 53.727 54.000 0.008 0.000 0.914 2117 D CB 0.883 41.687 40.800 0.008 0.000 1.182 2117 D HN 0.055 nan 8.370 nan 0.000 0.451 2118 D N 1.582 121.989 120.400 0.011 0.000 2.162 2118 D HA -0.034 4.621 4.640 0.025 0.000 0.203 2118 D C 0.691 176.999 176.300 0.014 0.000 0.967 2118 D CA 0.552 54.560 54.000 0.013 0.000 0.840 2118 D CB -0.113 40.695 40.800 0.013 0.000 0.972 2118 D HN 0.441 nan 8.370 nan 0.000 0.482 2119 A N 0.737 123.564 122.820 0.011 0.000 2.626 2119 A HA 0.010 4.345 4.320 0.025 0.000 0.238 2119 A C 0.869 178.460 177.584 0.012 0.000 1.641 2119 A CA 0.534 52.577 52.037 0.011 0.000 1.449 2119 A CB -0.739 18.267 19.000 0.009 0.000 0.888 2119 A HN 0.222 nan 8.150 nan 0.000 0.628 2120 Q N -0.172 119.636 119.800 0.013 0.000 1.931 2120 Q HA 0.005 4.360 4.340 0.025 0.000 0.175 2120 Q C -0.608 175.402 176.000 0.017 0.000 0.685 2120 Q CA 0.411 56.222 55.803 0.014 0.000 0.920 2120 Q CB -0.430 28.315 28.738 0.012 0.000 1.324 2120 Q HN 0.619 nan 8.270 nan 0.000 0.345 2121 S N -0.586 115.126 115.700 0.019 0.000 2.457 2121 S HA 0.422 4.907 4.470 0.025 0.000 0.289 2121 S C 0.093 174.710 174.600 0.028 0.000 1.163 2121 S CA -0.602 57.612 58.200 0.024 0.000 1.078 2121 S CB 1.483 64.698 63.200 0.026 0.000 0.987 2121 S HN 0.430 nan 8.310 nan 0.000 0.482 2122 c N 7.826 126.444 118.600 0.031 0.000 2.158 2122 c HA 0.511 5.096 4.570 0.025 0.000 0.350 2122 c C -0.119 174.001 174.090 0.049 0.000 1.064 2122 c CA -0.834 55.517 56.329 0.037 0.000 1.507 2122 c CB -1.970 40.561 42.510 0.034 0.000 1.934 2122 c HN 0.861 nan 8.230 nan 0.000 0.479 2123 M N 5.984 125.614 119.600 0.050 0.000 2.084 2123 M HA 0.306 4.801 4.480 0.025 0.000 0.351 2123 M C -0.264 176.078 176.300 0.071 0.000 1.240 2123 M CA -0.211 55.128 55.300 0.064 0.000 1.083 2123 M CB 0.987 33.621 32.600 0.056 0.000 1.593 2123 M HN 0.360 nan 8.290 nan 0.000 0.463 2124 V N 4.034 124.008 119.914 0.100 0.000 2.333 2124 V HA 0.269 4.404 4.120 0.025 0.000 0.274 2124 V C 0.410 176.562 176.094 0.096 0.000 1.028 2124 V CA -0.562 61.800 62.300 0.104 0.000 0.851 2124 V CB 1.129 33.046 31.823 0.157 0.000 1.000 2124 V HN 0.809 nan 8.190 nan 0.000 0.456 2125 T N 5.194 119.769 114.554 0.034 0.000 2.814 2125 T HA 0.412 4.777 4.350 0.025 0.000 0.297 2125 T C -0.040 174.592 174.700 -0.115 0.000 0.956 2125 T CA -0.125 61.964 62.100 -0.018 0.000 1.123 2125 T CB 1.045 69.896 68.868 -0.029 0.000 0.902 2125 T HN 0.361 nan 8.240 nan 0.000 0.528 2126 V N 4.277 124.029 119.914 -0.269 0.000 2.495 2126 V HA 0.519 4.654 4.120 0.025 0.000 0.298 2126 V C 0.203 175.899 176.094 -0.662 0.000 1.031 2126 V CA -0.798 61.176 62.300 -0.544 0.000 0.871 2126 V CB 2.018 33.356 31.823 -0.807 0.000 0.988 2126 V HN 0.994 nan 8.190 nan 0.000 0.432 2127 T N 3.751 118.026 114.554 -0.465 0.000 2.824 2127 T HA 0.627 4.992 4.350 0.025 0.000 0.282 2127 T C -0.405 174.130 174.700 -0.275 0.000 0.993 2127 T CA -0.587 61.319 62.100 -0.324 0.000 0.967 2127 T CB 1.723 70.482 68.868 -0.182 0.000 0.960 2127 T HN 0.684 nan 8.240 nan 0.000 0.441 2128 V N 1.228 121.027 119.914 -0.193 0.000 2.459 2128 V HA 0.558 4.693 4.120 0.025 0.000 0.295 2128 V C -0.186 175.931 176.094 0.039 0.000 1.029 2128 V CA -1.106 61.132 62.300 -0.105 0.000 0.874 2128 V CB 1.289 33.028 31.823 -0.140 0.000 0.985 2128 V HN 0.854 nan 8.190 nan 0.000 0.438 2129 Q N 2.758 122.672 119.800 0.191 0.000 2.352 2129 Q HA 0.541 4.896 4.340 0.025 0.000 0.260 2129 Q C 0.501 176.644 176.000 0.238 0.000 0.976 2129 Q CA 0.003 55.916 55.803 0.185 0.000 0.881 2129 Q CB 1.408 30.221 28.738 0.124 0.000 1.235 2129 Q HN 1.110 nan 8.270 nan 0.000 0.419 2130 A N 2.757 125.637 122.820 0.101 0.000 2.520 2130 A HA 0.029 4.364 4.320 0.025 0.000 0.245 2130 A C 0.282 177.890 177.584 0.039 0.000 1.072 2130 A CA -0.293 51.792 52.037 0.080 0.000 0.761 2130 A CB 0.204 19.222 19.000 0.030 0.000 1.004 2130 A HN 0.536 nan 8.150 nan 0.000 0.499 2131 R N 1.573 122.113 120.500 0.067 0.000 2.816 2131 R HA 0.130 4.485 4.340 0.025 0.000 0.344 2131 R C -0.214 176.027 176.300 -0.098 0.000 1.065 2131 R CA 0.749 56.835 56.100 -0.022 0.000 0.995 2131 R CB -1.406 28.921 30.300 0.046 0.000 0.984 2131 R HN 0.779 nan 8.270 nan 0.000 0.435 2132 A N 3.496 126.210 122.820 -0.176 0.000 2.340 2132 A HA 0.344 4.679 4.320 0.025 0.000 0.297 2132 A C 0.042 177.503 177.584 -0.205 0.000 1.195 2132 A CA -0.457 51.480 52.037 -0.165 0.000 0.769 2132 A CB 0.684 19.605 19.000 -0.132 0.000 1.163 2132 A HN 0.752 nan 8.150 nan 0.000 0.472 2133 S N 2.080 117.656 115.700 -0.206 0.000 2.691 2133 S HA 0.289 4.774 4.470 0.025 0.000 0.320 2133 S C 0.352 174.847 174.600 -0.175 0.000 1.241 2133 S CA 0.770 58.846 58.200 -0.206 0.000 1.028 2133 S CB 0.249 63.312 63.200 -0.228 0.000 0.726 2133 S HN 2.056 nan 8.310 nan 0.000 0.488 2134 S N 1.129 116.730 115.700 -0.164 0.000 2.611 2134 S HA 0.448 4.932 4.470 0.025 0.000 0.270 2134 S C -1.276 173.252 174.600 -0.121 0.000 1.131 2134 S CA -0.732 57.385 58.200 -0.138 0.000 0.826 2134 S CB 0.832 63.938 63.200 -0.157 0.000 1.095 2134 S HN 1.015 nan 8.310 nan 0.000 0.461 2135 V N 2.694 122.550 119.914 -0.098 0.000 2.481 2135 V HA 0.672 4.807 4.120 0.025 0.000 0.286 2135 V C -0.548 175.493 176.094 -0.087 0.000 1.042 2135 V CA -0.399 61.850 62.300 -0.085 0.000 0.928 2135 V CB 1.414 33.195 31.823 -0.070 0.000 0.986 2135 V HN 0.683 nan 8.190 nan 0.000 0.462 2136 V N 4.564 124.427 119.914 -0.084 0.000 2.447 2136 V HA 0.477 4.612 4.120 0.025 0.000 0.292 2136 V C 0.456 176.507 176.094 -0.073 0.000 1.021 2136 V CA -0.818 61.434 62.300 -0.082 0.000 0.850 2136 V CB 1.165 32.934 31.823 -0.090 0.000 1.005 2136 V HN 0.987 nan 8.190 nan 0.000 0.426 2137 N N 4.003 122.662 118.700 -0.068 0.000 2.725 2137 N HA -0.219 4.536 4.740 0.025 0.000 0.251 2137 N C 0.244 175.714 175.510 -0.067 0.000 1.031 2137 N CA 1.142 54.153 53.050 -0.064 0.000 0.720 2137 N CB -0.673 37.776 38.487 -0.063 0.000 0.930 2137 N HN 1.041 nan 8.380 nan 0.000 0.543 2138 N N -1.286 117.372 118.700 -0.070 0.000 2.708 2138 N HA -0.166 4.589 4.740 0.025 0.000 0.255 2138 N C -1.563 173.900 175.510 -0.078 0.000 1.046 2138 N CA 1.131 54.134 53.050 -0.078 0.000 0.715 2138 N CB -0.717 37.718 38.487 -0.086 0.000 0.895 2138 N HN 0.252 nan 8.380 nan 0.000 0.545 2139 V N 0.012 119.883 119.914 -0.071 0.000 2.516 2139 V HA 0.623 4.758 4.120 0.025 0.000 0.271 2139 V C 0.089 176.147 176.094 -0.059 0.000 0.992 2139 V CA -0.738 61.525 62.300 -0.062 0.000 0.857 2139 V CB 1.638 33.426 31.823 -0.059 0.000 1.047 2139 V HN 0.444 nan 8.190 nan 0.000 0.455 2140 A N 5.677 128.468 122.820 -0.048 0.000 2.410 2140 A HA 0.547 4.882 4.320 0.025 0.000 0.292 2140 A C 0.400 177.962 177.584 -0.037 0.000 1.232 2140 A CA -0.015 51.997 52.037 -0.041 0.000 0.893 2140 A CB -0.063 18.926 19.000 -0.020 0.000 1.131 2140 A HN 0.746 nan 8.150 nan 0.000 0.530 2141 R N 2.180 122.640 120.500 -0.067 0.000 2.265 2141 R HA 0.342 4.697 4.340 0.025 0.000 0.328 2141 R C -1.320 174.907 176.300 -0.122 0.000 0.969 2141 R CA -0.324 55.730 56.100 -0.077 0.000 0.832 2141 R CB 1.393 31.636 30.300 -0.095 0.000 1.139 2141 R HN 0.678 nan 8.270 nan 0.000 0.457 2142 c N 2.994 121.515 118.600 -0.132 0.000 2.255 2142 c HA 0.324 4.909 4.570 0.025 0.000 0.326 2142 c C 1.066 174.803 174.090 -0.590 0.000 1.258 2142 c CA -0.412 55.744 56.329 -0.288 0.000 1.676 2142 c CB 0.257 42.645 42.510 -0.203 0.000 2.314 2142 c HN 0.881 nan 8.230 nan 0.000 0.509 2143 S N 2.679 118.007 115.700 -0.619 0.000 2.738 2143 S HA 0.614 5.099 4.470 0.025 0.000 0.284 2143 S C -0.806 173.158 174.600 -1.060 0.000 1.146 2143 S CA -0.403 57.419 58.200 -0.630 0.000 0.997 2143 S CB 0.575 63.606 63.200 -0.283 0.000 1.081 2143 S HN 0.676 nan 8.310 nan 0.000 0.553 2144 Y N -0.673 119.608 120.300 -0.033 0.000 2.629 2144 Y HA 0.425 4.989 4.550 0.023 0.000 0.282 2144 Y C 1.537 177.359 175.900 -0.130 0.000 0.994 2144 Y CA -0.755 57.319 58.100 -0.044 0.000 1.126 2144 Y CB 0.217 38.682 38.460 0.009 0.000 1.187 2144 Y HN 0.826 nan 8.280 nan 0.000 0.600 2145 G N 0.911 109.641 108.800 -0.118 0.000 2.404 2145 G HA2 0.306 4.281 3.960 0.025 0.000 0.214 2145 G HA3 0.306 4.281 3.960 0.025 0.000 0.214 2145 G C 0.467 175.112 174.900 -0.425 0.000 1.189 2145 G CA 0.921 45.914 45.100 -0.179 0.000 0.789 2145 G HN 0.451 nan 8.290 nan 0.000 0.533 2146 A N -0.783 121.825 122.820 -0.354 0.000 2.610 2146 A HA 0.503 4.838 4.320 0.025 0.000 0.291 2146 A C -1.358 176.186 177.584 -0.067 0.000 1.086 2146 A CA -0.631 51.192 52.037 -0.356 0.000 0.677 2146 A CB 0.505 19.413 19.000 -0.153 0.000 1.278 2146 A HN 0.066 nan 8.150 nan 0.000 0.414 2147 D N 2.738 123.209 120.400 0.118 0.000 2.497 2147 D HA 0.133 4.787 4.640 0.025 0.000 0.285 2147 D C 0.341 176.677 176.300 0.061 0.000 1.452 2147 D CA 1.189 55.279 54.000 0.150 0.000 1.132 2147 D CB -0.098 40.797 40.800 0.159 0.000 1.132 2147 D HN 0.569 nan 8.370 nan 0.000 0.555 2148 S N 1.012 116.730 115.700 0.031 0.000 2.509 2148 S HA 0.493 4.978 4.470 0.025 0.000 0.297 2148 S C 0.057 174.660 174.600 0.006 0.000 1.118 2148 S CA -0.852 57.344 58.200 -0.007 0.000 1.074 2148 S CB 2.156 65.323 63.200 -0.056 0.000 1.038 2148 S HN 0.116 nan 8.310 nan 0.000 0.498 2149 T N 4.070 118.624 114.554 -0.000 0.000 2.788 2149 T HA 0.454 4.819 4.350 0.025 0.000 0.296 2149 T C -0.239 174.455 174.700 -0.010 0.000 1.009 2149 T CA -0.545 61.559 62.100 0.007 0.000 0.949 2149 T CB 0.052 68.927 68.868 0.012 0.000 0.946 2149 T HN 0.541 nan 8.240 nan 0.000 0.453 2150 L N 2.816 124.033 121.223 -0.010 0.000 2.322 2150 L HA 0.900 5.255 4.340 0.025 0.000 0.279 2150 L C 0.843 177.705 176.870 -0.013 0.000 1.036 2150 L CA -0.661 54.165 54.840 -0.023 0.000 0.807 2150 L CB 1.340 43.378 42.059 -0.035 0.000 1.226 2150 L HN 0.887 nan 8.230 nan 0.000 0.433 2151 G N 2.272 111.059 108.800 -0.022 0.000 2.361 2151 G HA2 0.126 4.101 3.960 0.025 0.000 0.331 2151 G HA3 0.126 4.101 3.960 0.025 0.000 0.331 2151 G C -3.117 171.771 174.900 -0.019 0.000 1.324 2151 G CA -0.907 44.182 45.100 -0.019 0.000 0.984 2151 G HN 0.514 nan 8.290 nan 0.000 0.586 2152 P HA 0.562 nan 4.420 nan 0.000 0.280 2152 P C -0.513 176.767 177.300 -0.034 0.000 1.244 2152 P CA -0.335 62.754 63.100 -0.018 0.000 0.784 2152 P CB 1.651 33.345 31.700 -0.010 0.000 0.913 2153 V N 3.503 123.389 119.914 -0.047 0.000 2.275 2153 V HA 0.218 4.353 4.120 0.025 0.000 0.272 2153 V C 0.622 176.656 176.094 -0.100 0.000 1.028 2153 V CA -0.726 61.529 62.300 -0.075 0.000 0.810 2153 V CB 0.375 32.144 31.823 -0.090 0.000 1.043 2153 V HN 0.476 nan 8.190 nan 0.000 0.453 2154 K N 4.699 125.053 120.400 -0.077 0.000 2.270 2154 K HA 0.497 4.832 4.320 0.025 0.000 0.276 2154 K C -0.566 175.975 176.600 -0.099 0.000 1.023 2154 K CA -0.507 55.736 56.287 -0.073 0.000 0.955 2154 K CB 1.033 33.513 32.500 -0.034 0.000 0.975 2154 K HN 0.325 nan 8.250 nan 0.000 0.471 2155 L N 2.337 123.496 121.223 -0.107 0.000 2.913 2155 L HA 0.145 4.500 4.340 0.025 0.000 0.283 2155 L C 0.360 177.314 176.870 0.140 0.000 1.336 2155 L CA -0.084 54.711 54.840 -0.076 0.000 0.815 2155 L CB 0.058 41.948 42.059 -0.282 0.000 1.188 2155 L HN 0.655 nan 8.230 nan 0.000 0.551 2156 S N 0.857 116.616 115.700 0.099 0.000 2.563 2156 S HA 0.213 4.698 4.470 0.025 0.000 0.269 2156 S C 1.478 176.078 174.600 -0.001 0.000 1.364 2156 S CA 0.582 58.848 58.200 0.111 0.000 1.010 2156 S CB 1.021 64.230 63.200 0.015 0.000 0.877 2156 S HN 0.553 nan 8.310 nan 0.000 0.549 2157 A N 1.926 124.606 122.820 -0.233 0.000 2.259 2157 A HA 0.220 4.555 4.320 0.025 0.000 0.208 2157 A C 1.157 178.508 177.584 -0.388 0.000 1.201 2157 A CA 0.265 51.858 52.037 -0.740 0.000 0.824 2157 A CB -0.292 18.321 19.000 -0.644 0.000 0.838 2157 A HN 0.871 nan 8.150 nan 0.000 0.485 2158 E N -0.587 119.488 120.200 -0.208 0.000 2.660 2158 E HA 0.384 4.749 4.350 0.025 0.000 0.216 2158 E C 0.218 176.757 176.600 -0.101 0.000 0.986 2158 E CA 0.162 56.480 56.400 -0.137 0.000 1.037 2158 E CB 0.672 30.318 29.700 -0.090 0.000 1.041 2158 E HN 0.599 nan 8.360 nan 0.000 0.480 2159 G N 3.310 112.050 108.800 -0.101 0.000 3.069 2159 G HA2 -0.115 3.860 3.960 0.025 0.000 0.686 2159 G HA3 -0.115 3.860 3.960 0.025 0.000 0.686 2159 G C -2.659 172.215 174.900 -0.044 0.000 1.161 2159 G CA -0.953 44.109 45.100 -0.064 0.000 0.804 2159 G HN -0.074 nan 8.290 nan 0.000 0.608 2160 P HA 0.479 nan 4.420 nan 0.000 0.323 2160 P C 0.713 178.009 177.300 -0.008 0.000 1.319 2160 P CA 1.124 64.201 63.100 -0.037 0.000 0.741 2160 P CB 0.467 32.137 31.700 -0.049 0.000 1.545 2161 T N -5.846 108.707 114.554 -0.002 0.000 3.475 2161 T HA 0.379 4.744 4.350 0.025 0.000 0.310 2161 T C -0.025 174.674 174.700 -0.003 0.000 0.963 2161 T CA -0.265 61.876 62.100 0.069 0.000 0.985 2161 T CB -0.740 68.161 68.868 0.054 0.000 1.198 2161 T HN 0.740 nan 8.240 nan 0.000 0.508 2162 T N 1.587 116.093 114.554 -0.081 0.000 3.013 2162 T HA 0.493 4.858 4.350 0.025 0.000 0.359 2162 T C -1.972 172.629 174.700 -0.164 0.000 1.845 2162 T CA -0.599 61.405 62.100 -0.159 0.000 1.075 2162 T CB 0.840 69.625 68.868 -0.138 0.000 1.727 2162 T HN 0.629 nan 8.240 nan 0.000 0.503 2163 M N 0.987 120.459 119.600 -0.214 0.000 2.719 2163 M HA 0.915 5.410 4.480 0.025 0.000 0.291 2163 M C -0.741 175.462 176.300 -0.163 0.000 1.264 2163 M CA -0.435 54.760 55.300 -0.176 0.000 0.811 2163 M CB 1.443 33.930 32.600 -0.188 0.000 1.756 2163 M HN 0.367 nan 8.290 nan 0.000 0.464 2164 T N 1.768 116.258 114.554 -0.106 0.000 2.863 2164 T HA 0.748 5.113 4.350 0.025 0.000 0.285 2164 T C -1.626 173.060 174.700 -0.023 0.000 1.009 2164 T CA -0.479 61.584 62.100 -0.062 0.000 0.989 2164 T CB 1.496 70.341 68.868 -0.039 0.000 1.004 2164 T HN 0.735 nan 8.240 nan 0.000 0.455 2165 L N 4.100 125.346 121.223 0.038 0.000 2.324 2165 L HA 0.540 4.895 4.340 0.025 0.000 0.274 2165 L C -0.790 176.136 176.870 0.094 0.000 1.012 2165 L CA -0.523 54.371 54.840 0.089 0.000 0.859 2165 L CB 0.920 43.100 42.059 0.202 0.000 1.224 2165 L HN 0.459 nan 8.230 nan 0.000 0.429 2166 V N 5.727 125.673 119.914 0.054 0.000 2.222 2166 V HA 0.043 4.178 4.120 0.025 0.000 0.253 2166 V C 1.345 177.483 176.094 0.074 0.000 1.210 2166 V CA -0.071 62.261 62.300 0.053 0.000 1.079 2166 V CB -0.061 31.773 31.823 0.018 0.000 1.265 2166 V HN 1.004 nan 8.190 nan 0.000 0.494 2167 c N 2.825 121.492 118.600 0.111 0.000 2.435 2167 c HA 0.306 4.891 4.570 0.025 0.000 0.279 2167 c C 1.905 176.115 174.090 0.200 0.000 1.321 2167 c CA 1.061 57.490 56.329 0.167 0.000 1.752 2167 c CB -1.130 41.468 42.510 0.148 0.000 1.959 2167 c HN 1.175 nan 8.230 nan 0.000 0.500 2168 G N -0.225 108.653 108.800 0.130 0.000 2.709 2168 G HA2 -0.176 3.799 3.960 0.025 0.000 0.228 2168 G HA3 -0.176 3.799 3.960 0.025 0.000 0.228 2168 G C 0.305 175.258 174.900 0.088 0.000 1.215 2168 G CA 0.331 45.505 45.100 0.123 0.000 1.003 2168 G HN 0.328 nan 8.290 nan 0.000 0.584 2169 K N -0.178 120.270 120.400 0.080 0.000 2.608 2169 K HA 0.192 4.527 4.320 0.025 0.000 0.209 2169 K C 0.367 176.966 176.600 -0.002 0.000 1.369 2169 K CA 0.323 56.631 56.287 0.035 0.000 1.029 2169 K CB 1.007 33.531 32.500 0.040 0.000 1.139 2169 K HN 0.332 nan 8.250 nan 0.000 0.623 2170 D N 0.779 121.172 120.400 -0.011 0.000 2.366 2170 D HA 0.046 4.701 4.640 0.025 0.000 0.205 2170 D C 0.776 176.889 176.300 -0.311 0.000 1.022 2170 D CA 0.583 54.521 54.000 -0.103 0.000 0.868 2170 D CB 1.103 41.886 40.800 -0.030 0.000 0.953 2170 D HN 0.200 nan 8.370 nan 0.000 0.514 2171 G N 0.255 108.843 108.800 -0.354 0.000 2.642 2171 G HA2 0.493 4.468 3.960 0.025 0.000 0.293 2171 G HA3 0.493 4.468 3.960 0.025 0.000 0.293 2171 G C -0.551 174.242 174.900 -0.179 0.000 1.341 2171 G CA -0.421 44.401 45.100 -0.463 0.000 0.916 2171 G HN -0.097 nan 8.290 nan 0.000 0.474 2172 V N 0.631 120.452 119.914 -0.153 0.000 2.997 2172 V HA 0.524 4.659 4.120 0.025 0.000 0.311 2172 V C 0.222 176.297 176.094 -0.031 0.000 1.066 2172 V CA -0.781 61.472 62.300 -0.078 0.000 1.039 2172 V CB 1.750 33.523 31.823 -0.084 0.000 1.081 2172 V HN 0.652 nan 8.190 nan 0.000 0.467 2173 K N 1.676 122.062 120.400 -0.024 0.000 2.244 2173 K HA 0.643 4.978 4.320 0.025 0.000 0.260 2173 K C -1.741 174.841 176.600 -0.031 0.000 0.951 2173 K CA -0.277 56.007 56.287 -0.005 0.000 0.826 2173 K CB 1.679 34.169 32.500 -0.015 0.000 1.108 2173 K HN 0.459 nan 8.250 nan 0.000 0.433 2174 V N 5.586 125.501 119.914 0.003 0.000 2.789 2174 V HA 0.350 4.485 4.120 0.025 0.000 0.311 2174 V C -2.418 173.700 176.094 0.039 0.000 1.073 2174 V CA -2.282 60.018 62.300 0.000 0.000 0.921 2174 V CB 2.056 33.890 31.823 0.017 0.000 1.009 2174 V HN 0.725 nan 8.190 nan 0.000 0.426 2175 P HA 0.023 nan 4.420 nan 0.000 0.263 2175 P C 0.768 178.011 177.300 -0.095 0.000 1.195 2175 P CA 0.404 63.480 63.100 -0.040 0.000 0.762 2175 P CB 0.464 32.130 31.700 -0.057 0.000 0.799 2176 Q N 3.266 123.015 119.800 -0.083 0.000 2.105 2176 Q HA -0.284 4.071 4.340 0.025 0.000 0.217 2176 Q C 0.123 176.039 176.000 -0.141 0.000 1.029 2176 Q CA 1.798 57.543 55.803 -0.097 0.000 0.899 2176 Q CB -0.146 28.547 28.738 -0.075 0.000 1.000 2176 Q HN 0.495 nan 8.270 nan 0.000 0.414 2177 D N -0.393 119.922 120.400 -0.142 0.000 2.383 2177 D HA 0.058 4.713 4.640 0.025 0.000 0.248 2177 D C 0.112 176.253 176.300 -0.266 0.000 1.170 2177 D CA -0.201 53.700 54.000 -0.164 0.000 0.977 2177 D CB 0.443 41.178 40.800 -0.108 0.000 1.120 2177 D HN 0.331 nan 8.370 nan 0.000 0.481 2178 N N 0.647 119.168 118.700 -0.297 0.000 2.251 2178 N HA 0.022 4.777 4.740 0.025 0.000 0.217 2178 N C 0.047 175.654 175.510 0.161 0.000 1.124 2178 N CA 0.041 52.752 53.050 -0.564 0.000 0.843 2178 N CB 0.245 38.282 38.487 -0.749 0.000 1.024 2178 N HN 0.304 nan 8.380 nan 0.000 0.501 2179 N N 0.080 118.876 118.700 0.160 0.000 2.460 2179 N HA 0.062 4.817 4.740 0.025 0.000 0.193 2179 N C 0.222 175.656 175.510 -0.126 0.000 1.080 2179 N CA 0.242 53.461 53.050 0.282 0.000 0.869 2179 N CB 0.532 39.094 38.487 0.125 0.000 1.201 2179 N HN 0.177 nan 8.380 nan 0.000 0.457 2180 Q N -0.270 119.370 119.800 -0.266 0.000 2.199 2180 Q HA 0.427 4.782 4.340 0.025 0.000 0.232 2180 Q C -1.073 174.608 176.000 -0.531 0.000 0.969 2180 Q CA -0.785 54.741 55.803 -0.462 0.000 0.925 2180 Q CB 1.329 29.893 28.738 -0.290 0.000 1.198 2180 Q HN 0.288 nan 8.270 nan 0.000 0.494 2181 Y N -3.071 116.957 120.300 -0.454 0.000 2.728 2181 Y HA 0.643 5.208 4.550 0.025 0.000 0.330 2181 Y C -1.440 174.395 175.900 -0.109 0.000 1.234 2181 Y CA -1.826 56.125 58.100 -0.248 0.000 1.070 2181 Y CB 0.483 38.786 38.460 -0.262 0.000 1.300 2181 Y HN 0.582 nan 8.280 nan 0.000 0.467 2182 c N 1.392 120.223 118.600 0.384 0.000 2.319 2182 c HA 0.583 5.167 4.570 0.025 0.000 0.335 2182 c C 1.027 175.346 174.090 0.381 0.000 1.274 2182 c CA 0.147 56.616 56.329 0.233 0.000 1.806 2182 c CB 0.797 43.406 42.510 0.166 0.000 2.329 2182 c HN 0.933 nan 8.230 nan 0.000 0.524 2183 S N 1.343 117.159 115.700 0.193 0.000 2.506 2183 S HA 0.130 4.615 4.470 0.025 0.000 0.230 2183 S C 1.502 176.171 174.600 0.115 0.000 1.066 2183 S CA 0.588 58.916 58.200 0.214 0.000 0.940 2183 S CB -0.147 63.120 63.200 0.111 0.000 0.818 2183 S HN 0.981 nan 8.310 nan 0.000 0.518 2184 G N 1.677 110.518 108.800 0.069 0.000 2.522 2184 G HA2 0.283 4.258 3.960 0.025 0.000 0.223 2184 G HA3 0.283 4.258 3.960 0.025 0.000 0.223 2184 G C 0.558 175.490 174.900 0.052 0.000 1.565 2184 G CA 0.787 45.914 45.100 0.046 0.000 1.053 2184 G HN 0.371 nan 8.290 nan 0.000 0.547 2185 T N -0.368 114.208 114.554 0.036 0.000 1.878 2185 T HA 0.313 4.678 4.350 0.025 0.000 0.182 2185 T C 1.043 175.764 174.700 0.035 0.000 0.686 2185 T CA 0.522 62.643 62.100 0.034 0.000 1.483 2185 T CB -0.810 68.069 68.868 0.018 0.000 3.294 2185 T HN 0.849 nan 8.240 nan 0.000 0.405 2186 T N 1.673 116.235 114.554 0.012 0.000 2.923 2186 T HA 0.024 4.389 4.350 0.025 0.000 0.320 2186 T C 1.288 176.003 174.700 0.026 0.000 1.074 2186 T CA 0.060 62.158 62.100 -0.003 0.000 1.131 2186 T CB -0.124 68.700 68.868 -0.074 0.000 1.058 2186 T HN 0.350 nan 8.240 nan 0.000 0.535 2187 L N 1.620 122.892 121.223 0.081 0.000 2.456 2187 L HA -0.067 4.288 4.340 0.025 0.000 0.224 2187 L C 2.902 179.845 176.870 0.121 0.000 1.148 2187 L CA 0.870 55.799 54.840 0.148 0.000 0.825 2187 L CB -1.081 41.143 42.059 0.275 0.000 0.937 2187 L HN 0.877 nan 8.230 nan 0.000 0.450 2188 T N -0.319 114.253 114.554 0.029 0.000 2.652 2188 T HA -0.123 4.242 4.350 0.025 0.000 0.267 2188 T C 1.250 175.961 174.700 0.018 0.000 1.039 2188 T CA 1.560 63.669 62.100 0.016 0.000 1.153 2188 T CB -0.219 68.605 68.868 -0.074 0.000 0.863 2188 T HN 0.504 nan 8.240 nan 0.000 0.428 2189 G N -0.234 108.568 108.800 0.003 0.000 4.829 2189 G HA2 0.289 4.264 3.960 0.025 0.000 0.320 2189 G HA3 0.289 4.264 3.960 0.025 0.000 0.320 2189 G C 1.034 175.940 174.900 0.010 0.000 1.445 2189 G CA -0.333 44.768 45.100 0.002 0.000 1.151 2189 G HN 0.504 nan 8.290 nan 0.000 0.572 2190 c N 1.107 119.720 118.600 0.022 0.000 2.409 2190 c HA -0.024 4.561 4.570 0.025 0.000 0.284 2190 c C 1.373 175.469 174.090 0.010 0.000 1.354 2190 c CA 0.483 56.831 56.329 0.032 0.000 1.787 2190 c CB -1.442 41.093 42.510 0.041 0.000 1.900 2190 c HN 0.811 nan 8.230 nan 0.000 0.520 2191 N N 0.988 119.678 118.700 -0.016 0.000 2.610 2191 N HA -0.173 4.582 4.740 0.025 0.000 0.271 2191 N C -0.742 174.710 175.510 -0.098 0.000 1.146 2191 N CA 0.795 53.819 53.050 -0.044 0.000 0.711 2191 N CB -1.136 37.337 38.487 -0.024 0.000 0.883 2191 N HN 0.785 nan 8.380 nan 0.000 0.548 2192 E N 1.306 121.434 120.200 -0.119 0.000 2.413 2192 E HA 0.076 4.441 4.350 0.025 0.000 0.263 2192 E C 0.580 177.005 176.600 -0.292 0.000 1.015 2192 E CA 0.015 56.297 56.400 -0.198 0.000 0.916 2192 E CB 0.779 30.388 29.700 -0.152 0.000 0.947 2192 E HN 0.367 nan 8.360 nan 0.000 0.440 2193 K N 0.510 120.614 120.400 -0.494 0.000 3.157 2193 K HA 0.419 4.754 4.320 0.025 0.000 0.309 2193 K C -0.610 175.668 176.600 -0.536 0.000 1.183 2193 K CA -0.395 55.560 56.287 -0.553 0.000 1.198 2193 K CB 0.990 33.004 32.500 -0.810 0.000 3.317 2193 K HN 0.360 nan 8.250 nan 0.000 1.071 2194 S N -0.429 114.832 115.700 -0.731 0.000 2.720 2194 S HA 0.196 4.681 4.470 0.025 0.000 0.318 2194 S C -0.313 174.209 174.600 -0.130 0.000 0.872 2194 S CA -0.515 57.438 58.200 -0.412 0.000 0.794 2194 S CB -0.487 62.600 63.200 -0.187 0.000 1.009 2194 S HN 0.250 nan 8.310 nan 0.000 0.491 2195 F N 3.351 123.459 119.950 0.263 0.000 2.287 2195 F HA -0.047 4.496 4.527 0.026 0.000 0.301 2195 F C 2.201 178.065 175.800 0.106 0.000 1.069 2195 F CA 1.285 59.435 58.000 0.250 0.000 1.372 2195 F CB -0.385 38.744 39.000 0.215 0.000 1.056 2195 F HN 0.591 nan 8.300 nan 0.000 0.523 2196 K N 0.130 120.657 120.400 0.212 0.000 2.160 2196 K HA -0.192 4.143 4.320 0.025 0.000 0.206 2196 K C 1.406 178.051 176.600 0.075 0.000 1.047 2196 K CA 1.660 58.018 56.287 0.118 0.000 0.930 2196 K CB -0.324 32.215 32.500 0.066 0.000 0.720 2196 K HN 0.240 nan 8.250 nan 0.000 0.450 2197 D N 0.992 121.431 120.400 0.065 0.000 2.083 2197 D HA -0.121 4.534 4.640 0.025 0.000 0.225 2197 D C 1.924 178.247 176.300 0.038 0.000 0.974 2197 D CA 1.267 55.291 54.000 0.041 0.000 0.906 2197 D CB -0.599 40.218 40.800 0.028 0.000 1.028 2197 D HN 0.226 nan 8.370 nan 0.000 0.446 2198 I N -1.476 119.120 120.570 0.044 0.000 2.300 2198 I HA -0.170 4.015 4.170 0.025 0.000 0.252 2198 I C 0.300 176.370 176.117 -0.079 0.000 1.119 2198 I CA 1.238 62.510 61.300 -0.046 0.000 1.384 2198 I CB -0.190 37.714 38.000 -0.159 0.000 1.062 2198 I HN -0.061 nan 8.210 nan 0.000 0.426 2199 L N 2.817 124.012 121.223 -0.046 0.000 2.417 2199 L HA 0.448 4.803 4.340 0.025 0.000 0.259 2199 L C -1.519 175.364 176.870 0.020 0.000 1.023 2199 L CA -1.674 53.143 54.840 -0.038 0.000 0.901 2199 L CB 0.781 42.788 42.059 -0.087 0.000 1.227 2199 L HN -0.007 nan 8.230 nan 0.000 0.454 2200 P HA -0.177 nan 4.420 nan 0.000 0.207 2200 P C 0.409 177.733 177.300 0.039 0.000 0.993 2200 P CA 0.330 63.449 63.100 0.033 0.000 0.885 2200 P CB 0.174 31.891 31.700 0.027 0.000 0.600 2201 K N 0.951 121.373 120.400 0.036 0.000 2.365 2201 K HA 0.021 4.356 4.320 0.025 0.000 0.268 2201 K C -0.248 176.375 176.600 0.038 0.000 1.173 2201 K CA 0.532 56.842 56.287 0.038 0.000 1.204 2201 K CB -1.516 31.007 32.500 0.039 0.000 0.832 2201 K HN 0.209 nan 8.250 nan 0.000 0.481 2202 L N 2.967 124.215 121.223 0.041 0.000 2.731 2202 L HA 0.175 4.530 4.340 0.025 0.000 0.256 2202 L C -0.987 175.913 176.870 0.049 0.000 0.947 2202 L CA -0.104 54.758 54.840 0.037 0.000 0.914 2202 L CB 2.030 44.111 42.059 0.037 0.000 1.470 2202 L HN 0.438 nan 8.230 nan 0.000 0.421 2203 T N 2.851 117.429 114.554 0.040 0.000 2.855 2203 T HA 0.150 4.515 4.350 0.025 0.000 0.290 2203 T C 0.973 175.723 174.700 0.085 0.000 0.941 2203 T CA -0.118 62.014 62.100 0.053 0.000 1.030 2203 T CB 0.441 69.333 68.868 0.040 0.000 0.935 2203 T HN 0.673 nan 8.240 nan 0.000 0.564 2204 E N 2.667 122.929 120.200 0.104 0.000 2.435 2204 E HA -0.261 4.104 4.350 0.025 0.000 0.242 2204 E C 0.973 177.699 176.600 0.210 0.000 1.125 2204 E CA 1.713 58.203 56.400 0.150 0.000 1.067 2204 E CB -0.154 29.612 29.700 0.111 0.000 0.903 2204 E HN 0.608 nan 8.360 nan 0.000 0.466 2205 N N -0.515 118.291 118.700 0.176 0.000 3.112 2205 N HA 0.133 4.888 4.740 0.025 0.000 0.270 2205 N C -2.400 173.244 175.510 0.223 0.000 1.385 2205 N CA -1.462 51.731 53.050 0.239 0.000 0.986 2205 N CB 0.821 39.407 38.487 0.165 0.000 1.261 2205 N HN -0.081 nan 8.380 nan 0.000 0.495 2206 P HA 0.076 nan 4.420 nan 0.000 0.258 2206 P C -0.826 176.402 177.300 -0.119 0.000 1.403 2206 P CA 0.047 63.125 63.100 -0.036 0.000 0.826 2206 P CB -0.327 31.246 31.700 -0.212 0.000 1.414 2207 W N 0.503 121.779 121.300 -0.040 0.000 2.578 2207 W HA 0.533 5.206 4.660 0.022 0.000 0.346 2207 W C 0.205 176.720 176.519 -0.007 0.000 1.075 2207 W CA -0.299 57.032 57.345 -0.023 0.000 1.233 2207 W CB 1.154 30.623 29.460 0.016 0.000 1.358 2207 W HN -0.133 nan 8.180 nan 0.000 0.574 2208 Q N 1.962 121.892 119.800 0.217 0.000 2.483 2208 Q HA 0.559 4.914 4.340 0.025 0.000 0.245 2208 Q C -0.449 175.625 176.000 0.124 0.000 0.902 2208 Q CA -0.682 55.199 55.803 0.131 0.000 0.767 2208 Q CB 1.989 30.765 28.738 0.062 0.000 1.341 2208 Q HN 0.759 nan 8.270 nan 0.000 0.453 2209 G N 1.847 110.721 108.800 0.122 0.000 2.462 2209 G HA2 -0.115 3.860 3.960 0.025 0.000 0.424 2209 G HA3 -0.115 3.860 3.960 0.025 0.000 0.424 2209 G C -1.141 173.817 174.900 0.096 0.000 1.573 2209 G CA -1.239 43.921 45.100 0.100 0.000 0.913 2209 G HN 0.511 nan 8.290 nan 0.000 0.672 2210 N N 1.423 120.163 118.700 0.065 0.000 2.598 2210 N HA 0.380 5.135 4.740 0.025 0.000 0.300 2210 N C 1.920 177.461 175.510 0.052 0.000 1.224 2210 N CA 1.453 54.531 53.050 0.047 0.000 1.125 2210 N CB 0.303 38.811 38.487 0.035 0.000 1.468 2210 N HN 1.397 nan 8.380 nan 0.000 0.504 2211 A N 2.082 124.939 122.820 0.061 0.000 1.792 2211 A HA -0.325 4.010 4.320 0.025 0.000 0.277 2211 A C 1.425 179.047 177.584 0.063 0.000 2.778 2211 A CA 2.277 54.356 52.037 0.069 0.000 0.839 2211 A CB -1.277 17.728 19.000 0.009 0.000 0.828 2211 A HN 0.567 nan 8.150 nan 0.000 0.533 2212 S N 0.561 116.283 115.700 0.037 0.000 4.120 2212 S HA 0.457 4.942 4.470 0.025 0.000 0.215 2212 S C -0.017 174.608 174.600 0.041 0.000 1.347 2212 S CA 0.357 58.579 58.200 0.037 0.000 0.889 2212 S CB -0.828 62.378 63.200 0.010 0.000 1.585 2212 S HN 1.171 nan 8.310 nan 0.000 0.447 2213 S N 0.296 116.029 115.700 0.054 0.000 2.587 2213 S HA 0.262 4.747 4.470 0.025 0.000 0.269 2213 S C 0.373 175.007 174.600 0.056 0.000 1.154 2213 S CA -0.952 57.278 58.200 0.051 0.000 0.824 2213 S CB 0.881 64.108 63.200 0.045 0.000 1.118 2213 S HN 0.313 nan 8.310 nan 0.000 0.462 2214 D N 1.323 121.755 120.400 0.053 0.000 2.172 2214 D HA -0.207 4.448 4.640 0.025 0.000 0.196 2214 D C 1.266 177.592 176.300 0.043 0.000 0.999 2214 D CA 1.210 55.240 54.000 0.050 0.000 0.856 2214 D CB -0.170 40.660 40.800 0.050 0.000 0.934 2214 D HN 0.405 nan 8.370 nan 0.000 0.453 2215 K N 0.546 120.972 120.400 0.044 0.000 2.031 2215 K HA 0.014 4.349 4.320 0.025 0.000 0.205 2215 K C 1.938 178.567 176.600 0.049 0.000 1.049 2215 K CA 1.329 57.640 56.287 0.040 0.000 0.939 2215 K CB -0.488 32.037 32.500 0.041 0.000 0.717 2215 K HN 0.447 nan 8.250 nan 0.000 0.438 2216 G N 0.799 109.637 108.800 0.064 0.000 3.594 2216 G HA2 -0.218 3.757 3.960 0.025 0.000 0.285 2216 G HA3 -0.218 3.757 3.960 0.025 0.000 0.285 2216 G C -0.216 174.754 174.900 0.117 0.000 1.551 2216 G CA 0.780 45.932 45.100 0.087 0.000 1.061 2216 G HN 0.920 nan 8.290 nan 0.000 0.624 2217 A N -2.538 120.357 122.820 0.125 0.000 2.583 2217 A HA 0.679 5.014 4.320 0.025 0.000 0.300 2217 A C -0.627 177.017 177.584 0.100 0.000 0.966 2217 A CA 0.936 53.074 52.037 0.168 0.000 0.673 2217 A CB 0.226 19.426 19.000 0.334 0.000 1.297 2217 A HN 1.718 nan 8.150 nan 0.000 0.418 2218 T N 1.650 116.219 114.554 0.026 0.000 2.840 2218 T HA 0.527 4.892 4.350 0.025 0.000 0.287 2218 T C -0.766 173.766 174.700 -0.280 0.000 0.991 2218 T CA -0.274 61.758 62.100 -0.114 0.000 0.964 2218 T CB 1.107 69.923 68.868 -0.086 0.000 0.954 2218 T HN 1.249 nan 8.240 nan 0.000 0.438 2219 L N 4.665 125.568 121.223 -0.533 0.000 2.312 2219 L HA 0.451 4.806 4.340 0.025 0.000 0.287 2219 L C -0.069 176.484 176.870 -0.530 0.000 1.091 2219 L CA 0.353 54.690 54.840 -0.839 0.000 0.846 2219 L CB 0.000 41.312 42.059 -1.246 0.000 1.219 2219 L HN 0.558 nan 8.230 nan 0.000 0.439 2220 T N 6.279 120.598 114.554 -0.393 0.000 2.795 2220 T HA 0.499 4.864 4.350 0.025 0.000 0.282 2220 T C -0.041 174.509 174.700 -0.250 0.000 0.980 2220 T CA -0.289 61.659 62.100 -0.253 0.000 1.012 2220 T CB 1.077 69.859 68.868 -0.143 0.000 0.936 2220 T HN 0.273 nan 8.240 nan 0.000 0.457 2221 I N 3.614 124.053 120.570 -0.219 0.000 2.371 2221 I HA 0.252 4.437 4.170 0.025 0.000 0.282 2221 I C 0.667 176.769 176.117 -0.024 0.000 1.031 2221 I CA -0.896 60.259 61.300 -0.242 0.000 1.180 2221 I CB 0.818 38.485 38.000 -0.556 0.000 1.336 2221 I HN 0.691 nan 8.210 nan 0.000 0.467 2222 K N 5.377 125.783 120.400 0.011 0.000 2.502 2222 K HA -0.206 4.129 4.320 0.025 0.000 0.268 2222 K C 1.299 178.061 176.600 0.269 0.000 1.025 2222 K CA 0.608 56.955 56.287 0.099 0.000 1.139 2222 K CB 0.581 33.120 32.500 0.066 0.000 0.810 2222 K HN 0.527 nan 8.250 nan 0.000 0.483 2223 K N 2.969 123.489 120.400 0.199 0.000 2.259 2223 K HA -0.232 4.103 4.320 0.025 0.000 0.206 2223 K C 0.285 176.947 176.600 0.103 0.000 1.044 2223 K CA 2.282 58.651 56.287 0.137 0.000 0.931 2223 K CB 0.085 32.602 32.500 0.027 0.000 0.726 2223 K HN 0.652 nan 8.250 nan 0.000 0.467 2224 E N -2.323 117.978 120.200 0.167 0.000 2.714 2224 E HA 0.121 4.485 4.350 0.025 0.000 0.219 2224 E C 0.665 177.385 176.600 0.201 0.000 0.979 2224 E CA 0.052 56.535 56.400 0.137 0.000 1.092 2224 E CB 1.088 30.824 29.700 0.061 0.000 1.049 2224 E HN 0.242 nan 8.360 nan 0.000 0.487 2225 A N 0.713 123.696 122.820 0.271 0.000 2.132 2225 A HA 0.122 4.457 4.320 0.025 0.000 0.213 2225 A C 0.487 178.182 177.584 0.185 0.000 1.154 2225 A CA -0.080 52.055 52.037 0.164 0.000 0.753 2225 A CB -0.305 18.740 19.000 0.075 0.000 0.826 2225 A HN 0.099 nan 8.150 nan 0.000 0.469 2226 F N 1.210 121.183 119.950 0.037 0.000 2.641 2226 F HA 0.073 4.614 4.527 0.023 0.000 0.350 2226 F C -1.459 174.363 175.800 0.037 0.000 1.120 2226 F CA -0.713 57.320 58.000 0.056 0.000 1.348 2226 F CB -0.060 38.968 39.000 0.047 0.000 1.005 2226 F HN 0.167 nan 8.300 nan 0.000 0.621 2227 P HA 0.293 nan 4.420 nan 0.000 0.288 2227 P C -0.380 176.990 177.300 0.118 0.000 1.267 2227 P CA -0.236 62.920 63.100 0.094 0.000 0.815 2227 P CB 1.656 33.365 31.700 0.015 0.000 0.989 2228 A N 3.946 126.813 122.820 0.077 0.000 1.834 2228 A HA -0.170 4.165 4.320 0.025 0.000 0.216 2228 A C 0.803 178.424 177.584 0.061 0.000 1.203 2228 A CA 1.525 53.600 52.037 0.064 0.000 0.621 2228 A CB -1.311 17.713 19.000 0.041 0.000 0.841 2228 A HN 0.677 nan 8.150 nan 0.000 0.446 2229 E N 0.356 120.583 120.200 0.046 0.000 2.391 2229 E HA 0.442 4.807 4.350 0.025 0.000 0.255 2229 E C -0.157 176.475 176.600 0.053 0.000 1.187 2229 E CA -0.044 56.380 56.400 0.040 0.000 0.941 2229 E CB 0.279 29.994 29.700 0.025 0.000 1.010 2229 E HN 0.247 nan 8.360 nan 0.000 0.458 2230 S N 0.927 116.657 115.700 0.051 0.000 2.523 2230 S HA 0.385 4.870 4.470 0.025 0.000 0.275 2230 S C -0.332 174.293 174.600 0.043 0.000 1.281 2230 S CA -0.603 57.636 58.200 0.066 0.000 1.050 2230 S CB 0.386 63.622 63.200 0.061 0.000 0.937 2230 S HN 0.211 nan 8.310 nan 0.000 0.492 2231 K N 1.874 122.301 120.400 0.045 0.000 2.443 2231 K HA 0.513 4.848 4.320 0.025 0.000 0.252 2231 K C -0.786 175.830 176.600 0.026 0.000 0.933 2231 K CA -0.473 55.796 56.287 -0.030 0.000 0.792 2231 K CB 1.902 34.300 32.500 -0.169 0.000 1.185 2231 K HN 0.623 nan 8.250 nan 0.000 0.425 2232 S N 0.679 116.383 115.700 0.007 0.000 2.482 2232 S HA 0.825 5.309 4.470 0.025 0.000 0.303 2232 S C -0.096 174.487 174.600 -0.029 0.000 1.091 2232 S CA -0.720 57.517 58.200 0.063 0.000 1.057 2232 S CB 1.074 64.310 63.200 0.061 0.000 1.031 2232 S HN 0.399 nan 8.310 nan 0.000 0.485 2233 V N -0.432 119.488 119.914 0.010 0.000 3.145 2233 V HA 0.882 5.017 4.120 0.025 0.000 0.311 2233 V C -1.253 174.887 176.094 0.078 0.000 1.238 2233 V CA -1.201 61.032 62.300 -0.111 0.000 1.066 2233 V CB 1.091 32.637 31.823 -0.462 0.000 1.144 2233 V HN 0.835 nan 8.190 nan 0.000 0.465 2234 I N 1.725 122.385 120.570 0.151 0.000 2.548 2234 I HA 0.646 4.831 4.170 0.025 0.000 0.287 2234 I C -0.430 175.819 176.117 0.219 0.000 1.103 2234 I CA -0.081 61.320 61.300 0.168 0.000 1.049 2234 I CB 1.771 39.854 38.000 0.138 0.000 1.232 2234 I HN 0.819 nan 8.210 nan 0.000 0.429 2235 I N 1.926 122.626 120.570 0.217 0.000 3.108 2235 I HA 1.103 5.288 4.170 0.025 0.000 0.312 2235 I C 0.180 176.409 176.117 0.187 0.000 1.095 2235 I CA -0.780 60.668 61.300 0.247 0.000 1.000 2235 I CB 2.341 40.570 38.000 0.382 0.000 1.229 2235 I HN 0.650 nan 8.210 nan 0.000 0.454 2236 G N 0.824 109.729 108.800 0.174 0.000 2.321 2236 G HA2 0.486 4.461 3.960 0.025 0.000 0.296 2236 G HA3 0.486 4.461 3.960 0.025 0.000 0.296 2236 G C -1.907 173.073 174.900 0.133 0.000 1.287 2236 G CA -0.574 44.614 45.100 0.147 0.000 0.846 2236 G HN 0.906 nan 8.290 nan 0.000 0.508 2237 c N 0.080 118.770 118.600 0.151 0.000 2.802 2237 c HA 0.930 5.515 4.570 0.025 0.000 0.307 2237 c C 0.157 174.340 174.090 0.156 0.000 1.222 2237 c CA -0.441 55.981 56.329 0.155 0.000 1.580 2237 c CB 1.016 43.675 42.510 0.250 0.000 2.119 2237 c HN 1.176 nan 8.230 nan 0.000 0.479 2238 T N -0.516 114.033 114.554 -0.009 0.000 2.812 2238 T HA 0.868 5.233 4.350 0.025 0.000 0.282 2238 T C -0.252 174.284 174.700 -0.272 0.000 0.990 2238 T CA -0.015 61.982 62.100 -0.172 0.000 0.960 2238 T CB 1.447 70.089 68.868 -0.377 0.000 0.948 2238 T HN 1.786 nan 8.240 nan 0.000 0.438 2239 G N 0.149 108.733 108.800 -0.361 0.000 2.356 2239 G HA2 0.797 4.772 3.960 0.025 0.000 0.294 2239 G HA3 0.797 4.772 3.960 0.025 0.000 0.294 2239 G C -0.317 174.318 174.900 -0.442 0.000 1.423 2239 G CA 0.049 44.810 45.100 -0.564 0.000 0.806 2239 G HN 1.826 nan 8.290 nan 0.000 0.527 2240 G N -1.238 107.396 108.800 -0.276 0.000 2.298 2240 G HA2 0.620 4.595 3.960 0.025 0.000 0.309 2240 G HA3 0.620 4.595 3.960 0.025 0.000 0.309 2240 G C -0.222 174.693 174.900 0.026 0.000 1.279 2240 G CA 0.784 45.871 45.100 -0.022 0.000 1.042 2240 G HN 2.899 nan 8.290 nan 0.000 0.480 2241 S N -1.595 114.163 115.700 0.097 0.000 2.712 2241 S HA 0.612 5.097 4.470 0.025 0.000 0.279 2241 S C -2.552 172.106 174.600 0.096 0.000 1.025 2241 S CA 0.216 58.461 58.200 0.075 0.000 0.861 2241 S CB 1.249 64.467 63.200 0.031 0.000 1.091 2241 S HN 1.370 nan 8.310 nan 0.000 0.457 2242 P HA 0.254 nan 4.420 nan 0.000 0.263 2242 P C -0.391 176.933 177.300 0.041 0.000 1.386 2242 P CA 0.573 63.703 63.100 0.050 0.000 0.797 2242 P CB -0.199 31.525 31.700 0.040 0.000 1.381 2243 E N 0.741 120.983 120.200 0.069 0.000 2.291 2243 E HA 0.198 4.563 4.350 0.025 0.000 0.276 2243 E C -0.763 175.806 176.600 -0.053 0.000 0.896 2243 E CA -0.785 55.592 56.400 -0.037 0.000 0.774 2243 E CB 1.471 31.095 29.700 -0.125 0.000 1.227 2243 E HN -0.190 nan 8.360 nan 0.000 0.413 2244 K N 3.553 123.890 120.400 -0.105 0.000 2.292 2244 K HA 0.219 4.554 4.320 0.025 0.000 0.290 2244 K C -0.404 176.130 176.600 -0.111 0.000 1.083 2244 K CA -0.133 56.110 56.287 -0.073 0.000 0.918 2244 K CB 0.329 32.764 32.500 -0.108 0.000 1.089 2244 K HN 0.470 nan 8.250 nan 0.000 0.473 2245 H N 0.655 119.765 119.070 0.068 0.000 2.683 2245 H HA 0.376 4.946 4.556 0.025 0.000 0.276 2245 H C -0.224 175.180 175.328 0.126 0.000 1.564 2245 H CA -0.060 56.111 56.048 0.206 0.000 1.590 2245 H CB 0.451 30.329 29.762 0.192 0.000 1.692 2245 H HN 0.447 nan 8.280 nan 0.000 0.871 2246 H N -1.783 117.443 119.070 0.259 0.000 2.895 2246 H HA 0.402 4.973 4.556 0.025 0.000 0.373 2246 H C -1.226 174.190 175.328 0.147 0.000 1.174 2246 H CA -0.804 55.351 56.048 0.180 0.000 1.144 2246 H CB 1.730 31.558 29.762 0.111 0.000 1.793 2246 H HN 0.530 nan 8.280 nan 0.000 0.551 2247 c N 3.204 121.942 118.600 0.230 0.000 2.814 2247 c HA 0.413 4.998 4.570 0.025 0.000 0.269 2247 c C -0.182 173.977 174.090 0.114 0.000 1.090 2247 c CA -0.255 56.145 56.329 0.118 0.000 1.492 2247 c CB -1.584 40.952 42.510 0.042 0.000 1.825 2247 c HN 0.870 nan 8.230 nan 0.000 0.442 2248 T N 3.631 118.249 114.554 0.106 0.000 2.919 2248 T HA 0.423 4.787 4.350 0.025 0.000 0.302 2248 T C -0.117 174.623 174.700 0.067 0.000 1.031 2248 T CA -0.010 62.147 62.100 0.095 0.000 1.127 2248 T CB 0.925 69.841 68.868 0.080 0.000 0.952 2248 T HN 0.521 nan 8.240 nan 0.000 0.540 2249 V N 4.149 124.110 119.914 0.078 0.000 2.447 2249 V HA 0.332 4.467 4.120 0.025 0.000 0.292 2249 V C -0.009 176.124 176.094 0.064 0.000 1.021 2249 V CA -1.019 61.316 62.300 0.059 0.000 0.850 2249 V CB 1.505 33.369 31.823 0.069 0.000 1.005 2249 V HN 0.745 nan 8.190 nan 0.000 0.426 2250 K N 4.883 125.306 120.400 0.039 0.000 2.234 2250 K HA 0.646 4.981 4.320 0.025 0.000 0.282 2250 K C -0.908 175.703 176.600 0.017 0.000 1.039 2250 K CA -0.331 55.980 56.287 0.040 0.000 0.928 2250 K CB 1.316 33.834 32.500 0.030 0.000 1.039 2250 K HN 0.515 nan 8.250 nan 0.000 0.470 2251 L N 2.572 123.817 121.223 0.036 0.000 2.334 2251 L HA 0.396 4.751 4.340 0.025 0.000 0.273 2251 L C -0.121 176.771 176.870 0.036 0.000 1.013 2251 L CA -0.594 54.231 54.840 -0.025 0.000 0.816 2251 L CB 1.618 43.661 42.059 -0.028 0.000 1.278 2251 L HN 0.585 nan 8.230 nan 0.000 0.431 2252 E N 2.771 122.935 120.200 -0.060 0.000 2.460 2252 E HA 0.275 4.640 4.350 0.025 0.000 0.249 2252 E C -1.555 175.064 176.600 0.031 0.000 0.962 2252 E CA -0.419 56.016 56.400 0.059 0.000 0.787 2252 E CB 1.325 31.040 29.700 0.025 0.000 1.341 2252 E HN 0.261 nan 8.360 nan 0.000 0.407 2253 F N 2.086 122.003 119.950 -0.054 0.000 2.462 2253 F HA 0.331 4.874 4.527 0.026 0.000 0.354 2253 F C 0.923 176.746 175.800 0.039 0.000 1.192 2253 F CA -0.598 57.374 58.000 -0.047 0.000 1.173 2253 F CB 0.071 38.984 39.000 -0.143 0.000 1.402 2253 F HN 0.351 nan 8.300 nan 0.000 0.595 2254 A N 0.000 122.957 122.820 0.229 0.000 2.254 2254 A HA 0.000 4.335 4.320 0.025 0.000 0.244 2254 A CA 0.000 52.140 52.037 0.172 0.000 0.836 2254 A CB 0.000 19.060 19.000 0.100 0.000 0.831 2254 A HN 0.000 nan 8.150 nan 0.000 0.486