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 3hwc_1_B DATA FIRST_RESID 2001 DATA SEQUENCE MRTGKQYLES LNDGRVVWVG NEKIDNVATH PLTRDYAERV AQFYDLHHRP DATA SEQUENCE DLQDVLTFVD ADGVRRSRQW QDPKDAAGLR VKRKYHETIL REIAAGSYGR DATA SEQUENCE LPDAHNYTFT TYADDPEVWE KQSIGAEGRN LTQNIHNFLK LLREKDLNCP DATA SEQUENCE LNFVDPQTDR SSDAAQARSP NLRIVEKTDD GIIVNGVKAV GTGIAFGDYM DATA SEQUENCE HIGCLYRPGI PGEQVIFAAI PTNTPGVTVF CRESTVKNDP AEHPLASQGD DATA SEQUENCE ELDSTTVFDN VFIPWEQVFH IGNPEHAKLY PQRIFDWVHY HILIRQVLRA DATA SEQUENCE ELIVGLAILI TEHIGTSKLP TVSARVAKLV AFHLAMQAHL IASEETGFHT DATA SEQUENCE KGGRYKPNPL IYDFGRAHFL QNQMSVMYEL LDLAGRSSLM IPSEGQWDDS DATA SEQUENCE QSGQWFVKLN NGPKGNPRER VQIGRVIRDL YLTDWGGRQF MFENFNGTPL DATA SEQUENCE FAVFAATMTR DDMSAAGTYG KFASQVCGIE FG 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 2001 M HA 0.000 nan 4.480 nan 0.000 0.227 2001 M C 0.000 176.413 176.300 0.188 0.000 1.140 2001 M CA 0.000 55.349 55.300 0.083 0.000 0.988 2001 M CB 0.000 32.558 32.600 -0.070 0.000 1.302 2002 R N 0.631 121.194 120.500 0.105 0.000 2.802 2002 R HA 0.264 4.603 4.340 -0.001 0.000 0.264 2002 R C -0.450 175.938 176.300 0.146 0.000 0.996 2002 R CA 0.933 57.035 56.100 0.003 0.000 1.123 2002 R CB 0.730 30.847 30.300 -0.305 0.000 0.996 2002 R HN 0.704 nan 8.270 nan 0.000 0.444 2003 T N 0.863 115.451 114.554 0.056 0.000 2.932 2003 T HA 0.358 4.708 4.350 -0.001 0.000 0.289 2003 T C 1.187 175.967 174.700 0.133 0.000 1.039 2003 T CA -0.085 62.079 62.100 0.108 0.000 1.024 2003 T CB 1.613 70.465 68.868 -0.026 0.000 1.090 2003 T HN 0.690 nan 8.240 nan 0.000 0.496 2004 G N 1.598 110.526 108.800 0.214 0.000 2.446 2004 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.217 2004 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.217 2004 G C 1.433 176.469 174.900 0.227 0.000 1.168 2004 G CA 1.255 46.521 45.100 0.278 0.000 0.771 2004 G HN 0.727 nan 8.290 nan 0.000 0.551 2005 K N 0.191 120.667 120.400 0.126 0.000 2.044 2005 K HA -0.192 4.127 4.320 -0.001 0.000 0.210 2005 K C 2.602 179.242 176.600 0.066 0.000 1.049 2005 K CA 1.790 58.126 56.287 0.082 0.000 0.927 2005 K CB -0.237 32.286 32.500 0.038 0.000 0.713 2005 K HN 0.425 nan 8.250 nan 0.000 0.443 2006 Q N -0.823 119.009 119.800 0.054 0.000 2.084 2006 Q HA -0.214 4.126 4.340 -0.001 0.000 0.202 2006 Q C 2.007 178.030 176.000 0.039 0.000 0.978 2006 Q CA 1.792 57.610 55.803 0.025 0.000 0.844 2006 Q CB -0.293 28.445 28.738 0.000 0.000 0.898 2006 Q HN 0.447 nan 8.270 nan 0.000 0.426 2007 Y N 1.356 121.637 120.300 -0.031 0.000 2.128 2007 Y HA -0.224 4.326 4.550 -0.001 0.000 0.284 2007 Y C 1.729 177.675 175.900 0.076 0.000 1.154 2007 Y CA 1.432 59.538 58.100 0.010 0.000 1.149 2007 Y CB -0.243 38.268 38.460 0.085 0.000 0.976 2007 Y HN 0.000 nan 8.280 nan 0.000 0.505 2008 L N 0.002 121.187 121.223 -0.062 0.000 2.083 2008 L HA -0.196 4.144 4.340 -0.001 0.000 0.209 2008 L C 2.327 179.115 176.870 -0.137 0.000 1.083 2008 L CA 1.719 56.479 54.840 -0.134 0.000 0.752 2008 L CB -0.565 41.526 42.059 0.053 0.000 0.899 2008 L HN 0.280 nan 8.230 nan 0.000 0.433 2009 E N 0.014 120.166 120.200 -0.079 0.000 2.106 2009 E HA -0.176 4.173 4.350 -0.001 0.000 0.192 2009 E C 2.252 178.801 176.600 -0.085 0.000 0.984 2009 E CA 1.482 57.845 56.400 -0.061 0.000 0.806 2009 E CB -0.043 29.639 29.700 -0.030 0.000 0.750 2009 E HN 0.505 nan 8.360 nan 0.000 0.458 2010 S N 0.572 116.205 115.700 -0.112 0.000 2.507 2010 S HA -0.053 4.416 4.470 -0.001 0.000 0.235 2010 S C 1.910 176.437 174.600 -0.121 0.000 0.988 2010 S CA 0.467 58.612 58.200 -0.091 0.000 0.944 2010 S CB -0.239 62.929 63.200 -0.052 0.000 0.762 2010 S HN 0.157 nan 8.310 nan 0.000 0.526 2011 L N 1.133 122.238 121.223 -0.198 0.000 2.156 2011 L HA 0.103 4.443 4.340 -0.001 0.000 0.208 2011 L C 1.462 178.269 176.870 -0.105 0.000 1.095 2011 L CA 0.625 55.361 54.840 -0.173 0.000 0.770 2011 L CB -0.556 41.370 42.059 -0.223 0.000 0.914 2011 L HN 0.278 nan 8.230 nan 0.000 0.439 2012 N N 1.118 119.768 118.700 -0.084 0.000 3.254 2012 N HA -0.057 4.682 4.740 -0.001 0.000 0.308 2012 N C -0.003 175.477 175.510 -0.050 0.000 1.281 2012 N CA 0.109 53.124 53.050 -0.057 0.000 1.212 2012 N CB -0.186 38.276 38.487 -0.043 0.000 1.478 2012 N HN 0.289 nan 8.380 nan 0.000 0.548 2013 D N -0.905 119.462 120.400 -0.055 0.000 2.501 2013 D HA 0.188 4.828 4.640 -0.001 0.000 0.224 2013 D C 0.980 177.252 176.300 -0.047 0.000 1.202 2013 D CA -0.195 53.777 54.000 -0.046 0.000 0.829 2013 D CB -0.435 40.336 40.800 -0.047 0.000 1.023 2013 D HN 0.197 nan 8.370 nan 0.000 0.499 2014 G N 1.865 110.636 108.800 -0.049 0.000 2.147 2014 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.244 2014 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.244 2014 G C 0.201 175.067 174.900 -0.057 0.000 1.005 2014 G CA 0.047 45.119 45.100 -0.047 0.000 0.713 2014 G HN 0.718 nan 8.290 nan 0.000 0.515 2015 R N -0.866 119.592 120.500 -0.070 0.000 2.537 2015 R HA 0.520 4.859 4.340 -0.001 0.000 0.280 2015 R C 0.305 176.553 176.300 -0.086 0.000 1.058 2015 R CA -0.121 55.928 56.100 -0.085 0.000 1.057 2015 R CB 1.571 31.814 30.300 -0.096 0.000 0.973 2015 R HN 0.794 nan 8.270 nan 0.000 0.438 2016 V N 3.620 123.479 119.914 -0.092 0.000 2.348 2016 V HA 0.461 4.581 4.120 -0.001 0.000 0.270 2016 V C -0.732 175.307 176.094 -0.091 0.000 1.037 2016 V CA -0.355 61.903 62.300 -0.071 0.000 0.872 2016 V CB 1.090 32.888 31.823 -0.042 0.000 1.002 2016 V HN 0.610 nan 8.190 nan 0.000 0.464 2017 V N 6.892 126.777 119.914 -0.050 0.000 2.686 2017 V HA 0.561 4.681 4.120 -0.001 0.000 0.306 2017 V C -1.086 175.050 176.094 0.071 0.000 1.065 2017 V CA -0.610 61.659 62.300 -0.053 0.000 0.894 2017 V CB 2.049 33.794 31.823 -0.130 0.000 1.004 2017 V HN 0.936 nan 8.190 nan 0.000 0.424 2018 W N 2.936 124.070 121.300 -0.277 0.000 2.573 2018 W HA 0.719 5.378 4.660 -0.001 0.000 0.326 2018 W C -0.453 176.021 176.519 -0.076 0.000 1.049 2018 W CA -1.031 56.230 57.345 -0.140 0.000 1.220 2018 W CB 1.746 31.196 29.460 -0.016 0.000 1.373 2018 W HN 0.260 nan 8.180 nan 0.000 0.507 2019 V N 4.689 124.666 119.914 0.106 0.000 2.293 2019 V HA 0.623 4.743 4.120 -0.001 0.000 0.275 2019 V C 0.838 177.011 176.094 0.132 0.000 1.021 2019 V CA 0.153 62.507 62.300 0.089 0.000 0.815 2019 V CB 0.376 32.193 31.823 -0.011 0.000 1.025 2019 V HN 0.949 nan 8.190 nan 0.000 0.448 2020 G N 5.728 114.644 108.800 0.194 0.000 2.583 2020 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.292 2020 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.292 2020 G C 0.890 175.959 174.900 0.282 0.000 1.203 2020 G CA 0.726 45.942 45.100 0.193 0.000 0.987 2020 G HN 0.578 nan 8.290 nan 0.000 0.554 2021 N N 1.646 120.460 118.700 0.190 0.000 2.309 2021 N HA 0.031 4.770 4.740 -0.001 0.000 0.182 2021 N C 1.083 176.603 175.510 0.018 0.000 1.018 2021 N CA 1.407 54.564 53.050 0.178 0.000 0.876 2021 N CB -0.076 38.469 38.487 0.097 0.000 0.972 2021 N HN 0.704 nan 8.380 nan 0.000 0.434 2022 E N 1.560 121.750 120.200 -0.017 0.000 2.152 2022 E HA 0.063 4.413 4.350 -0.001 0.000 0.285 2022 E C -0.242 176.171 176.600 -0.312 0.000 1.043 2022 E CA -0.509 55.806 56.400 -0.142 0.000 0.839 2022 E CB 0.553 30.230 29.700 -0.039 0.000 1.069 2022 E HN -0.191 nan 8.360 nan 0.000 0.399 2023 K N 5.244 125.319 120.400 -0.541 0.000 2.270 2023 K HA 0.151 4.471 4.320 -0.001 0.000 0.276 2023 K C -0.514 175.897 176.600 -0.315 0.000 1.023 2023 K CA -0.389 55.521 56.287 -0.629 0.000 0.955 2023 K CB 0.457 32.503 32.500 -0.757 0.000 0.975 2023 K HN 0.583 nan 8.250 nan 0.000 0.471 2024 I N 5.152 125.559 120.570 -0.271 0.000 2.321 2024 I HA 0.021 4.191 4.170 -0.001 0.000 0.291 2024 I C 1.211 177.286 176.117 -0.070 0.000 0.998 2024 I CA -0.489 60.689 61.300 -0.204 0.000 1.227 2024 I CB 1.198 39.025 38.000 -0.289 0.000 1.368 2024 I HN 0.662 nan 8.210 nan 0.000 0.466 2025 D N 4.711 125.136 120.400 0.043 0.000 2.103 2025 D HA -0.122 4.517 4.640 -0.001 0.000 0.199 2025 D C 0.545 176.844 176.300 -0.002 0.000 0.978 2025 D CA 1.103 55.109 54.000 0.009 0.000 0.829 2025 D CB 0.119 40.931 40.800 0.020 0.000 0.981 2025 D HN 0.444 nan 8.370 nan 0.000 0.464 2026 N N -0.554 118.165 118.700 0.030 0.000 2.571 2026 N HA 0.100 4.839 4.740 -0.001 0.000 0.286 2026 N C 0.444 175.968 175.510 0.022 0.000 1.138 2026 N CA -0.391 52.661 53.050 0.004 0.000 0.859 2026 N CB 1.793 40.283 38.487 0.005 0.000 1.414 2026 N HN -0.177 nan 8.380 nan 0.000 0.529 2027 V N 2.445 122.333 119.914 -0.044 0.000 2.380 2027 V HA -0.257 3.863 4.120 -0.001 0.000 0.251 2027 V C 2.264 178.395 176.094 0.061 0.000 1.063 2027 V CA 2.528 64.789 62.300 -0.064 0.000 1.055 2027 V CB -0.866 30.811 31.823 -0.244 0.000 0.657 2027 V HN 0.771 nan 8.190 nan 0.000 0.455 2028 A N -1.519 121.326 122.820 0.043 0.000 2.121 2028 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 2028 A C 2.272 179.921 177.584 0.108 0.000 1.154 2028 A CA 2.185 54.275 52.037 0.088 0.000 0.679 2028 A CB -0.353 18.655 19.000 0.014 0.000 0.795 2028 A HN 0.516 nan 8.150 nan 0.000 0.458 2029 T N -2.693 111.919 114.554 0.096 0.000 2.964 2029 T HA 0.162 4.511 4.350 -0.001 0.000 0.250 2029 T C 0.473 175.229 174.700 0.094 0.000 0.982 2029 T CA -0.260 61.886 62.100 0.078 0.000 0.959 2029 T CB -0.127 68.763 68.868 0.037 0.000 1.141 2029 T HN 0.643 nan 8.240 nan 0.000 0.494 2030 H N 2.381 121.471 119.070 0.033 0.000 2.897 2030 H HA 0.091 4.647 4.556 -0.001 0.000 0.347 2030 H C -1.810 173.551 175.328 0.055 0.000 1.068 2030 H CA -1.189 54.876 56.048 0.028 0.000 1.426 2030 H CB 1.238 31.007 29.762 0.012 0.000 1.410 2030 H HN -0.081 nan 8.280 nan 0.000 0.597 2031 P HA -0.154 nan 4.420 nan 0.000 0.221 2031 P C 0.810 178.251 177.300 0.234 0.000 1.145 2031 P CA 1.251 64.423 63.100 0.120 0.000 0.795 2031 P CB 0.236 31.945 31.700 0.015 0.000 0.775 2032 L N -1.958 119.513 121.223 0.414 0.000 2.529 2032 L HA 0.083 4.423 4.340 -0.001 0.000 0.223 2032 L C 1.655 178.668 176.870 0.238 0.000 1.113 2032 L CA 1.322 56.314 54.840 0.253 0.000 0.861 2032 L CB -0.600 41.557 42.059 0.164 0.000 1.012 2032 L HN 0.125 nan 8.230 nan 0.000 0.461 2033 T N -4.607 110.115 114.554 0.280 0.000 2.966 2033 T HA 0.029 4.379 4.350 -0.001 0.000 0.254 2033 T C 1.796 176.763 174.700 0.445 0.000 0.961 2033 T CA -0.266 62.072 62.100 0.397 0.000 0.915 2033 T CB 0.019 69.026 68.868 0.232 0.000 1.186 2033 T HN 0.215 nan 8.240 nan 0.000 0.505 2034 R N 2.068 122.747 120.500 0.300 0.000 2.105 2034 R HA -0.083 4.257 4.340 -0.001 0.000 0.239 2034 R C 1.350 177.781 176.300 0.219 0.000 1.135 2034 R CA 1.836 58.082 56.100 0.244 0.000 0.967 2034 R CB -0.806 29.592 30.300 0.163 0.000 0.861 2034 R HN 0.230 nan 8.270 nan 0.000 0.442 2035 D N 0.290 120.808 120.400 0.196 0.000 2.097 2035 D HA -0.184 4.455 4.640 -0.001 0.000 0.197 2035 D C 1.773 178.144 176.300 0.120 0.000 0.984 2035 D CA 1.311 55.397 54.000 0.142 0.000 0.826 2035 D CB -0.339 40.535 40.800 0.122 0.000 0.973 2035 D HN 0.316 nan 8.370 nan 0.000 0.460 2036 Y N 1.681 121.977 120.300 -0.007 0.000 2.200 2036 Y HA -0.130 4.419 4.550 -0.000 0.000 0.290 2036 Y C 2.394 178.157 175.900 -0.227 0.000 1.137 2036 Y CA 1.624 59.561 58.100 -0.272 0.000 1.163 2036 Y CB -0.109 38.018 38.460 -0.554 0.000 0.988 2036 Y HN -0.069 nan 8.280 nan 0.000 0.518 2037 A N 0.450 123.321 122.820 0.085 0.000 1.948 2037 A HA -0.272 4.047 4.320 -0.001 0.000 0.220 2037 A C 1.966 179.667 177.584 0.196 0.000 1.177 2037 A CA 2.202 54.438 52.037 0.332 0.000 0.636 2037 A CB -0.713 18.614 19.000 0.545 0.000 0.815 2037 A HN 0.683 nan 8.150 nan 0.000 0.449 2038 E N -1.059 119.203 120.200 0.102 0.000 2.358 2038 E HA -0.086 4.264 4.350 -0.001 0.000 0.195 2038 E C 2.071 178.663 176.600 -0.013 0.000 1.010 2038 E CA 0.164 56.615 56.400 0.085 0.000 0.856 2038 E CB -0.004 29.747 29.700 0.086 0.000 0.795 2038 E HN 0.407 nan 8.360 nan 0.000 0.504 2039 R N 0.273 120.665 120.500 -0.180 0.000 2.093 2039 R HA -0.028 4.311 4.340 -0.001 0.000 0.224 2039 R C 2.306 178.428 176.300 -0.297 0.000 1.101 2039 R CA 0.663 56.613 56.100 -0.249 0.000 0.979 2039 R CB -0.593 29.419 30.300 -0.480 0.000 0.877 2039 R HN 0.105 nan 8.270 nan 0.000 0.441 2040 V N 1.454 121.088 119.914 -0.468 0.000 2.427 2040 V HA -0.156 3.964 4.120 -0.001 0.000 0.248 2040 V C 2.580 178.549 176.094 -0.208 0.000 1.051 2040 V CA 1.682 63.696 62.300 -0.478 0.000 1.048 2040 V CB -0.874 30.526 31.823 -0.706 0.000 0.666 2040 V HN 0.259 nan 8.190 nan 0.000 0.456 2041 A N -0.426 122.397 122.820 0.005 0.000 1.883 2041 A HA -0.334 3.986 4.320 -0.001 0.000 0.217 2041 A C 2.280 179.978 177.584 0.190 0.000 1.186 2041 A CA 2.234 54.416 52.037 0.242 0.000 0.624 2041 A CB -0.638 18.532 19.000 0.283 0.000 0.822 2041 A HN 0.580 nan 8.150 nan 0.000 0.444 2042 Q N -1.563 118.295 119.800 0.097 0.000 2.112 2042 Q HA -0.243 4.096 4.340 -0.001 0.000 0.206 2042 Q C 1.864 177.909 176.000 0.075 0.000 0.987 2042 Q CA 2.106 57.955 55.803 0.077 0.000 0.858 2042 Q CB -0.320 28.445 28.738 0.044 0.000 0.905 2042 Q HN 0.696 nan 8.270 nan 0.000 0.420 2043 F N 0.033 119.914 119.950 -0.115 0.000 2.095 2043 F HA -0.280 4.246 4.527 -0.000 0.000 0.298 2043 F C 1.508 177.299 175.800 -0.015 0.000 1.104 2043 F CA 1.811 59.711 58.000 -0.168 0.000 1.232 2043 F CB -0.526 38.253 39.000 -0.369 0.000 0.987 2043 F HN 0.136 nan 8.300 nan 0.000 0.475 2044 Y N 0.449 120.807 120.300 0.097 0.000 2.200 2044 Y HA -0.212 4.338 4.550 -0.001 0.000 0.290 2044 Y C 2.438 178.453 175.900 0.192 0.000 1.137 2044 Y CA 1.261 59.411 58.100 0.084 0.000 1.163 2044 Y CB -0.578 37.982 38.460 0.167 0.000 0.988 2044 Y HN 0.034 nan 8.280 nan 0.000 0.518 2045 D N 0.125 120.717 120.400 0.320 0.000 2.178 2045 D HA -0.153 4.487 4.640 -0.001 0.000 0.201 2045 D C 2.180 178.590 176.300 0.183 0.000 0.980 2045 D CA 0.876 55.053 54.000 0.295 0.000 0.842 2045 D CB -0.370 40.533 40.800 0.172 0.000 0.948 2045 D HN 0.315 nan 8.370 nan 0.000 0.472 2046 L N 0.192 121.425 121.223 0.017 0.000 2.081 2046 L HA -0.236 4.103 4.340 -0.001 0.000 0.212 2046 L C 1.925 178.665 176.870 -0.216 0.000 1.080 2046 L CA 1.358 56.105 54.840 -0.155 0.000 0.754 2046 L CB -0.463 41.392 42.059 -0.341 0.000 0.893 2046 L HN 0.177 nan 8.230 nan 0.000 0.433 2047 H N -2.293 116.676 119.070 -0.169 0.000 2.559 2047 H HA -0.043 4.512 4.556 -0.001 0.000 0.273 2047 H C 1.640 176.800 175.328 -0.279 0.000 1.000 2047 H CA 0.727 56.640 56.048 -0.225 0.000 1.195 2047 H CB -0.009 29.582 29.762 -0.285 0.000 1.368 2047 H HN 0.366 nan 8.280 nan 0.000 0.592 2048 H N -0.120 119.000 119.070 0.083 0.000 2.575 2048 H HA 0.169 4.725 4.556 -0.001 0.000 0.267 2048 H C 0.528 175.870 175.328 0.023 0.000 0.966 2048 H CA -0.081 56.001 56.048 0.056 0.000 1.165 2048 H CB 0.600 30.396 29.762 0.057 0.000 1.433 2048 H HN 0.131 nan 8.280 nan 0.000 0.544 2049 R N 2.229 122.777 120.500 0.080 0.000 2.446 2049 R HA -0.008 4.331 4.340 -0.001 0.000 0.314 2049 R C -1.754 174.559 176.300 0.023 0.000 1.003 2049 R CA -1.159 54.962 56.100 0.034 0.000 1.018 2049 R CB 0.325 30.618 30.300 -0.012 0.000 0.945 2049 R HN 0.176 nan 8.270 nan 0.000 0.419 2050 P HA -0.193 nan 4.420 nan 0.000 0.216 2050 P C 0.755 178.060 177.300 0.008 0.000 1.153 2050 P CA 1.321 64.434 63.100 0.022 0.000 0.858 2050 P CB 0.112 31.825 31.700 0.021 0.000 0.789 2051 D N -0.561 119.840 120.400 0.001 0.000 2.310 2051 D HA -0.117 4.523 4.640 -0.001 0.000 0.212 2051 D C 1.430 177.720 176.300 -0.015 0.000 0.965 2051 D CA 0.912 54.908 54.000 -0.007 0.000 0.879 2051 D CB -0.734 40.061 40.800 -0.010 0.000 0.921 2051 D HN 0.262 nan 8.370 nan 0.000 0.510 2052 L N -0.130 121.078 121.223 -0.024 0.000 2.728 2052 L HA 0.116 4.456 4.340 -0.001 0.000 0.238 2052 L C 2.010 178.866 176.870 -0.023 0.000 1.143 2052 L CA -0.233 54.582 54.840 -0.041 0.000 0.937 2052 L CB 0.224 42.231 42.059 -0.086 0.000 1.225 2052 L HN -0.199 nan 8.230 nan 0.000 0.507 2053 Q N 0.383 120.181 119.800 -0.003 0.000 2.135 2053 Q HA -0.252 4.088 4.340 -0.001 0.000 0.204 2053 Q C 1.434 177.452 176.000 0.031 0.000 0.981 2053 Q CA 1.843 57.655 55.803 0.015 0.000 0.856 2053 Q CB -0.059 28.689 28.738 0.017 0.000 0.902 2053 Q HN 0.477 nan 8.270 nan 0.000 0.425 2054 D N -0.310 120.104 120.400 0.023 0.000 2.103 2054 D HA -0.118 4.521 4.640 -0.001 0.000 0.199 2054 D C 1.931 178.255 176.300 0.041 0.000 0.978 2054 D CA 1.331 55.351 54.000 0.033 0.000 0.829 2054 D CB 0.275 41.087 40.800 0.021 0.000 0.981 2054 D HN 0.156 nan 8.370 nan 0.000 0.464 2055 V N -1.102 118.829 119.914 0.028 0.000 2.548 2055 V HA -0.051 4.068 4.120 -0.001 0.000 0.249 2055 V C 2.051 178.212 176.094 0.112 0.000 1.055 2055 V CA 0.872 63.195 62.300 0.038 0.000 1.065 2055 V CB -0.481 31.339 31.823 -0.005 0.000 0.681 2055 V HN 0.098 nan 8.190 nan 0.000 0.462 2056 L N 0.781 122.068 121.223 0.106 0.000 2.416 2056 L HA 0.319 4.658 4.340 -0.001 0.000 0.216 2056 L C 1.221 178.245 176.870 0.258 0.000 1.098 2056 L CA 1.422 56.401 54.840 0.232 0.000 0.840 2056 L CB -0.193 41.855 42.059 -0.018 0.000 0.981 2056 L HN 0.803 nan 8.230 nan 0.000 0.462 2057 T N -2.303 112.353 114.554 0.170 0.000 2.916 2057 T HA 0.638 4.987 4.350 -0.001 0.000 0.292 2057 T C -0.614 174.242 174.700 0.261 0.000 1.055 2057 T CA -0.660 61.561 62.100 0.201 0.000 1.009 2057 T CB 2.250 71.185 68.868 0.112 0.000 1.118 2057 T HN 0.021 nan 8.240 nan 0.000 0.497 2058 F N -0.548 119.393 119.950 -0.016 0.000 2.645 2058 F HA 0.779 5.306 4.527 -0.001 0.000 0.310 2058 F C -1.626 174.171 175.800 -0.006 0.000 1.102 2058 F CA -1.661 56.329 58.000 -0.016 0.000 0.952 2058 F CB 1.248 40.230 39.000 -0.029 0.000 1.326 2058 F HN 0.434 nan 8.300 nan 0.000 0.456 2059 V N 2.819 122.591 119.914 -0.236 0.000 2.389 2059 V HA 0.133 4.253 4.120 -0.001 0.000 0.264 2059 V C -0.008 175.785 176.094 -0.501 0.000 1.049 2059 V CA -0.124 61.969 62.300 -0.345 0.000 0.932 2059 V CB 0.477 32.221 31.823 -0.132 0.000 1.011 2059 V HN 0.748 nan 8.190 nan 0.000 0.475 2060 D N 4.014 123.992 120.400 -0.705 0.000 2.393 2060 D HA 0.282 4.921 4.640 -0.001 0.000 0.246 2060 D C 1.233 177.433 176.300 -0.167 0.000 1.275 2060 D CA 0.326 54.022 54.000 -0.507 0.000 0.979 2060 D CB 1.679 42.208 40.800 -0.452 0.000 1.101 2060 D HN 0.487 nan 8.370 nan 0.000 0.505 2061 A N 0.629 123.419 122.820 -0.051 0.000 2.125 2061 A HA -0.161 4.159 4.320 -0.001 0.000 0.219 2061 A C 1.160 178.715 177.584 -0.048 0.000 1.156 2061 A CA 1.698 53.723 52.037 -0.020 0.000 0.671 2061 A CB -0.336 18.673 19.000 0.016 0.000 0.794 2061 A HN 0.600 nan 8.150 nan 0.000 0.459 2062 D N -2.478 117.874 120.400 -0.079 0.000 2.340 2062 D HA 0.293 4.933 4.640 -0.001 0.000 0.217 2062 D C 1.118 177.367 176.300 -0.086 0.000 1.081 2062 D CA 0.692 54.645 54.000 -0.078 0.000 0.842 2062 D CB -0.556 40.192 40.800 -0.087 0.000 0.934 2062 D HN 0.655 nan 8.370 nan 0.000 0.511 2063 G N -0.442 108.298 108.800 -0.099 0.000 2.179 2063 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.260 2063 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.260 2063 G C 0.125 174.953 174.900 -0.120 0.000 0.977 2063 G CA 0.264 45.307 45.100 -0.095 0.000 0.641 2063 G HN 0.389 nan 8.290 nan 0.000 0.533 2064 V N 1.343 121.165 119.914 -0.154 0.000 2.465 2064 V HA 0.461 4.581 4.120 -0.001 0.000 0.279 2064 V C 1.086 177.040 176.094 -0.233 0.000 1.045 2064 V CA -0.582 61.622 62.300 -0.160 0.000 0.938 2064 V CB 1.503 33.236 31.823 -0.150 0.000 0.986 2064 V HN 0.466 nan 8.190 nan 0.000 0.467 2065 R N 5.197 125.589 120.500 -0.179 0.000 2.316 2065 R HA 0.403 4.742 4.340 -0.001 0.000 0.314 2065 R C -0.078 176.119 176.300 -0.171 0.000 1.069 2065 R CA -0.015 55.966 56.100 -0.198 0.000 0.959 2065 R CB 0.348 30.587 30.300 -0.101 0.000 0.987 2065 R HN 0.734 nan 8.270 nan 0.000 0.446 2066 R N 1.615 121.977 120.500 -0.229 0.000 2.922 2066 R HA 0.250 4.589 4.340 -0.001 0.000 0.256 2066 R C -0.822 175.599 176.300 0.201 0.000 1.138 2066 R CA -0.916 55.177 56.100 -0.011 0.000 0.995 2066 R CB 1.901 32.217 30.300 0.027 0.000 1.226 2066 R HN 0.583 nan 8.270 nan 0.000 0.481 2067 S N 0.110 115.977 115.700 0.278 0.000 2.549 2067 S HA 0.067 4.536 4.470 -0.001 0.000 0.279 2067 S C 0.943 175.589 174.600 0.076 0.000 1.321 2067 S CA -0.204 58.075 58.200 0.132 0.000 1.054 2067 S CB 0.661 63.742 63.200 -0.198 0.000 0.899 2067 S HN 0.483 nan 8.310 nan 0.000 0.497 2068 R N 2.286 122.612 120.500 -0.290 0.000 2.341 2068 R HA -0.096 4.244 4.340 -0.001 0.000 0.213 2068 R C 2.222 177.868 176.300 -1.090 0.000 1.082 2068 R CA 0.819 56.478 56.100 -0.735 0.000 1.017 2068 R CB -0.189 29.677 30.300 -0.723 0.000 0.860 2068 R HN 0.778 nan 8.270 nan 0.000 0.473 2069 Q N 0.100 119.184 119.800 -1.193 0.000 2.197 2069 Q HA -0.205 4.135 4.340 -0.001 0.000 0.207 2069 Q C 0.732 176.329 176.000 -0.673 0.000 0.984 2069 Q CA 1.668 56.923 55.803 -0.914 0.000 0.869 2069 Q CB -0.010 28.254 28.738 -0.791 0.000 0.906 2069 Q HN 0.521 nan 8.270 nan 0.000 0.426 2070 W N 0.768 121.996 121.300 -0.120 0.000 3.290 2070 W HA 0.198 4.858 4.660 -0.001 0.000 0.287 2070 W C 0.742 177.229 176.519 -0.054 0.000 1.288 2070 W CA -0.738 56.628 57.345 0.035 0.000 1.725 2070 W CB 0.437 29.983 29.460 0.143 0.000 1.103 2070 W HN 0.128 nan 8.180 nan 0.000 0.670 2071 Q N 1.668 121.277 119.800 -0.317 0.000 2.288 2071 Q HA 0.060 4.399 4.340 -0.001 0.000 0.254 2071 Q C -0.597 175.246 176.000 -0.262 0.000 0.932 2071 Q CA 0.010 55.439 55.803 -0.623 0.000 0.902 2071 Q CB 0.753 28.718 28.738 -1.289 0.000 1.203 2071 Q HN -0.120 nan 8.270 nan 0.000 0.415 2072 D N 5.953 126.286 120.400 -0.111 0.000 2.232 2072 D HA 0.305 4.944 4.640 -0.001 0.000 0.242 2072 D C -2.376 173.909 176.300 -0.024 0.000 1.093 2072 D CA -1.494 52.514 54.000 0.014 0.000 0.845 2072 D CB 1.414 42.272 40.800 0.096 0.000 1.124 2072 D HN 0.386 nan 8.370 nan 0.000 0.467 2073 P HA 0.253 nan 4.420 nan 0.000 0.282 2073 P C 0.209 177.599 177.300 0.150 0.000 1.262 2073 P CA -0.460 62.668 63.100 0.045 0.000 0.773 2073 P CB 1.196 32.949 31.700 0.088 0.000 0.879 2074 K N 1.229 121.697 120.400 0.114 0.000 2.354 2074 K HA 0.137 4.457 4.320 -0.001 0.000 0.194 2074 K C 0.054 176.777 176.600 0.204 0.000 1.045 2074 K CA 0.673 57.067 56.287 0.180 0.000 1.026 2074 K CB 0.175 32.734 32.500 0.099 0.000 0.866 2074 K HN 0.639 nan 8.250 nan 0.000 0.530 2075 D N -3.220 117.154 120.400 -0.044 0.000 2.692 2075 D HA 0.325 4.965 4.640 -0.001 0.000 0.303 2075 D C 0.466 176.356 176.300 -0.683 0.000 1.278 2075 D CA -0.303 53.413 54.000 -0.473 0.000 0.852 2075 D CB 0.275 40.932 40.800 -0.238 0.000 1.375 2075 D HN -0.159 nan 8.370 nan 0.000 0.453 2076 A N 0.207 122.452 122.820 -0.959 0.000 1.903 2076 A HA 0.004 4.323 4.320 -0.001 0.000 0.219 2076 A C 2.171 179.666 177.584 -0.148 0.000 1.191 2076 A CA 3.317 55.091 52.037 -0.438 0.000 0.638 2076 A CB -1.495 17.354 19.000 -0.252 0.000 0.823 2076 A HN 0.835 nan 8.150 nan 0.000 0.451 2077 A N -0.673 122.062 122.820 -0.141 0.000 1.883 2077 A HA 0.066 4.386 4.320 -0.001 0.000 0.217 2077 A C 2.477 180.036 177.584 -0.041 0.000 1.186 2077 A CA 2.131 54.130 52.037 -0.063 0.000 0.624 2077 A CB -1.502 17.464 19.000 -0.057 0.000 0.822 2077 A HN 0.859 nan 8.150 nan 0.000 0.444 2078 G N -0.492 108.275 108.800 -0.055 0.000 2.422 2078 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.218 2078 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.218 2078 G C 1.448 176.349 174.900 0.001 0.000 1.146 2078 G CA 1.201 46.283 45.100 -0.031 0.000 0.769 2078 G HN 0.475 nan 8.290 nan 0.000 0.547 2079 L N 0.508 121.762 121.223 0.052 0.000 2.141 2079 L HA 0.126 4.465 4.340 -0.001 0.000 0.209 2079 L C 2.799 179.753 176.870 0.141 0.000 1.094 2079 L CA 1.324 56.248 54.840 0.141 0.000 0.763 2079 L CB -0.354 41.853 42.059 0.247 0.000 0.908 2079 L HN 0.137 nan 8.230 nan 0.000 0.437 2080 R N -1.680 118.873 120.500 0.089 0.000 2.115 2080 R HA -0.043 4.297 4.340 -0.001 0.000 0.226 2080 R C 2.096 178.428 176.300 0.053 0.000 1.100 2080 R CA 1.167 57.317 56.100 0.083 0.000 0.980 2080 R CB -0.382 29.950 30.300 0.053 0.000 0.875 2080 R HN 0.266 nan 8.270 nan 0.000 0.445 2081 V N 1.628 121.553 119.914 0.018 0.000 2.358 2081 V HA -0.248 3.872 4.120 -0.001 0.000 0.246 2081 V C 2.448 178.527 176.094 -0.026 0.000 1.047 2081 V CA 1.638 63.930 62.300 -0.012 0.000 1.035 2081 V CB -0.436 31.359 31.823 -0.046 0.000 0.658 2081 V HN 0.293 nan 8.190 nan 0.000 0.452 2082 K N 0.456 120.831 120.400 -0.041 0.000 2.026 2082 K HA -0.243 4.077 4.320 -0.001 0.000 0.208 2082 K C 2.407 179.030 176.600 0.038 0.000 1.048 2082 K CA 1.944 58.175 56.287 -0.094 0.000 0.929 2082 K CB -0.192 32.253 32.500 -0.091 0.000 0.713 2082 K HN 0.336 nan 8.250 nan 0.000 0.439 2083 R N 1.114 121.723 120.500 0.182 0.000 2.105 2083 R HA -0.161 4.178 4.340 -0.001 0.000 0.239 2083 R C 2.269 178.623 176.300 0.090 0.000 1.135 2083 R CA 1.904 58.129 56.100 0.208 0.000 0.967 2083 R CB -0.122 30.296 30.300 0.196 0.000 0.861 2083 R HN 0.097 nan 8.270 nan 0.000 0.442 2084 K N -0.578 119.853 120.400 0.051 0.000 2.148 2084 K HA -0.215 4.105 4.320 -0.001 0.000 0.204 2084 K C 1.959 178.549 176.600 -0.017 0.000 1.050 2084 K CA 1.385 57.679 56.287 0.013 0.000 0.942 2084 K CB -0.275 32.233 32.500 0.013 0.000 0.724 2084 K HN 0.263 nan 8.250 nan 0.000 0.446 2085 Y N 1.137 121.347 120.300 -0.149 0.000 2.114 2085 Y HA -0.295 4.254 4.550 -0.001 0.000 0.284 2085 Y C 2.159 177.952 175.900 -0.178 0.000 1.143 2085 Y CA 1.960 59.928 58.100 -0.219 0.000 1.135 2085 Y CB -0.354 37.889 38.460 -0.363 0.000 0.980 2085 Y HN 0.216 nan 8.280 nan 0.000 0.499 2086 H N 0.279 119.284 119.070 -0.108 0.000 2.387 2086 H HA -0.108 4.448 4.556 -0.001 0.000 0.299 2086 H C 2.033 177.249 175.328 -0.187 0.000 1.090 2086 H CA 1.826 57.786 56.048 -0.148 0.000 1.332 2086 H CB -0.257 29.525 29.762 0.033 0.000 1.386 2086 H HN 0.595 nan 8.280 nan 0.000 0.516 2087 E N -0.085 120.090 120.200 -0.041 0.000 2.150 2087 E HA -0.090 4.260 4.350 -0.001 0.000 0.193 2087 E C 2.002 178.541 176.600 -0.102 0.000 0.985 2087 E CA 1.251 57.606 56.400 -0.075 0.000 0.814 2087 E CB 0.068 29.736 29.700 -0.052 0.000 0.752 2087 E HN 0.360 nan 8.360 nan 0.000 0.466 2088 T N 1.612 116.076 114.554 -0.150 0.000 2.777 2088 T HA -0.101 4.248 4.350 -0.001 0.000 0.266 2088 T C 1.889 176.474 174.700 -0.191 0.000 1.040 2088 T CA 0.648 62.648 62.100 -0.167 0.000 1.141 2088 T CB -0.018 68.732 68.868 -0.196 0.000 0.868 2088 T HN 0.072 nan 8.240 nan 0.000 0.444 2089 I N 1.238 121.651 120.570 -0.263 0.000 2.127 2089 I HA -0.108 4.061 4.170 -0.001 0.000 0.241 2089 I C 2.390 178.472 176.117 -0.059 0.000 1.075 2089 I CA 1.459 62.651 61.300 -0.180 0.000 1.334 2089 I CB -1.230 36.682 38.000 -0.147 0.000 1.040 2089 I HN 0.269 nan 8.210 nan 0.000 0.405 2090 L N 0.063 121.258 121.223 -0.048 0.000 2.046 2090 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 2090 L C 2.791 179.637 176.870 -0.041 0.000 1.077 2090 L CA 1.279 56.102 54.840 -0.028 0.000 0.747 2090 L CB -0.577 41.446 42.059 -0.059 0.000 0.896 2090 L HN 0.177 nan 8.230 nan 0.000 0.432 2091 R N -0.367 120.100 120.500 -0.055 0.000 2.115 2091 R HA -0.120 4.220 4.340 -0.001 0.000 0.230 2091 R C 2.136 178.412 176.300 -0.040 0.000 1.111 2091 R CA 0.893 56.964 56.100 -0.047 0.000 0.976 2091 R CB -0.134 30.136 30.300 -0.051 0.000 0.870 2091 R HN 0.381 nan 8.270 nan 0.000 0.445 2092 E N 0.346 120.519 120.200 -0.045 0.000 2.158 2092 E HA 0.005 4.355 4.350 -0.001 0.000 0.191 2092 E C 0.520 177.117 176.600 -0.005 0.000 0.982 2092 E CA 0.694 57.072 56.400 -0.036 0.000 0.823 2092 E CB 0.310 29.972 29.700 -0.062 0.000 0.766 2092 E HN 0.299 nan 8.360 nan 0.000 0.468 2093 I N 1.034 121.615 120.570 0.019 0.000 2.337 2093 I HA 0.228 4.398 4.170 -0.001 0.000 0.285 2093 I C 0.049 176.204 176.117 0.062 0.000 1.041 2093 I CA -0.554 60.794 61.300 0.081 0.000 1.199 2093 I CB 1.081 39.171 38.000 0.150 0.000 1.370 2093 I HN -0.089 nan 8.210 nan 0.000 0.470 2094 A N 5.367 128.208 122.820 0.036 0.000 2.791 2094 A HA -0.076 4.243 4.320 -0.001 0.000 0.292 2094 A C 1.220 178.760 177.584 -0.074 0.000 1.487 2094 A CA 0.710 52.729 52.037 -0.029 0.000 0.760 2094 A CB -1.626 17.308 19.000 -0.111 0.000 1.031 2094 A HN 2.092 nan 8.150 nan 0.000 0.503 2095 A N -1.281 121.513 122.820 -0.042 0.000 2.783 2095 A HA 0.346 4.665 4.320 -0.001 0.000 0.292 2095 A C 1.642 179.182 177.584 -0.073 0.000 1.495 2095 A CA 1.564 53.575 52.037 -0.042 0.000 0.787 2095 A CB -2.102 16.886 19.000 -0.020 0.000 1.017 2095 A HN 3.101 nan 8.150 nan 0.000 0.516 2096 G N -2.329 106.420 108.800 -0.086 0.000 2.249 2096 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.273 2096 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.273 2096 G C 0.850 175.646 174.900 -0.173 0.000 1.036 2096 G CA 0.922 45.962 45.100 -0.101 0.000 0.824 2096 G HN 1.611 nan 8.290 nan 0.000 0.504 2097 S N -1.262 114.260 115.700 -0.298 0.000 2.470 2097 S HA 0.191 4.661 4.470 -0.001 0.000 0.225 2097 S C 0.681 174.986 174.600 -0.491 0.000 1.006 2097 S CA 0.479 58.396 58.200 -0.471 0.000 0.934 2097 S CB 0.069 62.945 63.200 -0.540 0.000 0.778 2097 S HN 0.500 nan 8.310 nan 0.000 0.517 2098 Y N 0.670 120.937 120.300 -0.054 0.000 2.326 2098 Y HA 0.561 5.111 4.550 -0.001 0.000 0.337 2098 Y C 1.288 177.180 175.900 -0.014 0.000 1.023 2098 Y CA -1.287 56.795 58.100 -0.029 0.000 1.143 2098 Y CB 0.734 39.259 38.460 0.109 0.000 1.183 2098 Y HN 0.027 nan 8.280 nan 0.000 0.485 2099 G N 2.107 111.002 108.800 0.159 0.000 3.159 2099 G HA2 0.042 4.002 3.960 -0.001 0.000 0.232 2099 G HA3 0.042 4.002 3.960 -0.001 0.000 0.232 2099 G C 0.908 175.892 174.900 0.139 0.000 1.116 2099 G CA -0.152 45.045 45.100 0.161 0.000 0.767 2099 G HN 0.311 nan 8.290 nan 0.000 0.547 2100 R N 0.462 121.049 120.500 0.144 0.000 2.727 2100 R HA 0.353 4.693 4.340 -0.001 0.000 0.410 2100 R C 0.141 176.385 176.300 -0.093 0.000 1.101 2100 R CA -0.371 55.774 56.100 0.076 0.000 1.045 2100 R CB -0.225 30.246 30.300 0.285 0.000 1.380 2100 R HN 0.243 nan 8.270 nan 0.000 0.587 2101 L N 0.941 122.025 121.223 -0.232 0.000 2.479 2101 L HA 0.094 4.433 4.340 -0.001 0.000 0.270 2101 L C -0.882 175.483 176.870 -0.842 0.000 1.236 2101 L CA -1.339 53.197 54.840 -0.506 0.000 0.823 2101 L CB 0.215 41.964 42.059 -0.518 0.000 1.098 2101 L HN -0.142 nan 8.230 nan 0.000 0.500 2102 P HA -0.191 nan 4.420 nan 0.000 0.216 2102 P C 0.860 177.785 177.300 -0.625 0.000 1.150 2102 P CA 1.362 64.020 63.100 -0.738 0.000 0.843 2102 P CB -0.053 31.266 31.700 -0.635 0.000 0.787 2103 D N -0.462 119.602 120.400 -0.560 0.000 2.264 2103 D HA -0.116 4.524 4.640 -0.001 0.000 0.208 2103 D C 1.695 177.805 176.300 -0.316 0.000 0.966 2103 D CA 1.311 55.204 54.000 -0.178 0.000 0.864 2103 D CB -0.841 40.146 40.800 0.311 0.000 0.933 2103 D HN 0.119 nan 8.370 nan 0.000 0.499 2104 A N 1.418 123.854 122.820 -0.640 0.000 1.841 2104 A HA -0.201 4.119 4.320 -0.001 0.000 0.214 2104 A C 2.048 179.404 177.584 -0.381 0.000 1.195 2104 A CA 2.049 53.598 52.037 -0.813 0.000 0.611 2104 A CB -1.041 17.465 19.000 -0.823 0.000 0.835 2104 A HN 0.550 nan 8.150 nan 0.000 0.443 2105 H N -2.100 116.884 119.070 -0.143 0.000 2.520 2105 H HA 0.207 4.763 4.556 -0.001 0.000 0.279 2105 H C 1.531 176.908 175.328 0.083 0.000 0.990 2105 H CA 0.706 56.727 56.048 -0.045 0.000 1.288 2105 H CB -0.587 29.174 29.762 -0.001 0.000 1.446 2105 H HN 0.308 nan 8.280 nan 0.000 0.538 2106 N N 0.540 119.454 118.700 0.357 0.000 2.166 2106 N HA -0.187 4.553 4.740 -0.001 0.000 0.186 2106 N C 1.307 177.020 175.510 0.338 0.000 1.019 2106 N CA 1.125 54.420 53.050 0.408 0.000 0.856 2106 N CB -0.600 37.985 38.487 0.163 0.000 0.993 2106 N HN 0.394 nan 8.380 nan 0.000 0.426 2107 Y N 1.822 122.133 120.300 0.018 0.000 2.483 2107 Y HA -0.164 4.385 4.550 -0.001 0.000 0.291 2107 Y C 2.265 178.174 175.900 0.014 0.000 1.143 2107 Y CA 1.426 59.489 58.100 -0.062 0.000 1.289 2107 Y CB -0.582 37.730 38.460 -0.247 0.000 0.983 2107 Y HN 0.189 nan 8.280 nan 0.000 0.556 2108 T N -3.285 111.323 114.554 0.089 0.000 2.929 2108 T HA -0.245 4.105 4.350 -0.001 0.000 0.271 2108 T C 1.662 176.314 174.700 -0.079 0.000 1.085 2108 T CA 1.253 63.350 62.100 -0.005 0.000 1.125 2108 T CB -1.034 67.754 68.868 -0.133 0.000 0.874 2108 T HN 0.276 nan 8.240 nan 0.000 0.494 2109 F N 2.811 122.768 119.950 0.011 0.000 2.451 2109 F HA 0.010 4.537 4.527 -0.001 0.000 0.299 2109 F C 2.798 178.588 175.800 -0.017 0.000 1.101 2109 F CA 1.268 59.316 58.000 0.080 0.000 1.436 2109 F CB -0.751 38.284 39.000 0.059 0.000 1.074 2109 F HN 0.365 nan 8.300 nan 0.000 0.553 2110 T N -3.755 110.753 114.554 -0.076 0.000 3.007 2110 T HA -0.196 4.153 4.350 -0.001 0.000 0.270 2110 T C 2.099 176.782 174.700 -0.027 0.000 1.107 2110 T CA 1.398 63.400 62.100 -0.163 0.000 1.118 2110 T CB -0.956 67.567 68.868 -0.574 0.000 0.889 2110 T HN 0.395 nan 8.240 nan 0.000 0.506 2111 T N -0.368 114.163 114.554 -0.039 0.000 2.821 2111 T HA -0.133 4.216 4.350 -0.001 0.000 0.267 2111 T C 1.647 176.348 174.700 0.001 0.000 1.046 2111 T CA 0.742 62.841 62.100 -0.001 0.000 1.139 2111 T CB -0.794 68.047 68.868 -0.045 0.000 0.871 2111 T HN 0.449 nan 8.240 nan 0.000 0.454 2112 Y N 2.147 122.409 120.300 -0.064 0.000 2.097 2112 Y HA 0.119 4.669 4.550 -0.001 0.000 0.282 2112 Y C 3.177 179.041 175.900 -0.060 0.000 1.152 2112 Y CA 0.858 58.825 58.100 -0.222 0.000 1.136 2112 Y CB -1.261 36.915 38.460 -0.475 0.000 0.975 2112 Y HN 0.344 nan 8.280 nan 0.000 0.498 2113 A N 0.156 123.043 122.820 0.112 0.000 1.948 2113 A HA -0.233 4.087 4.320 -0.001 0.000 0.220 2113 A C 1.924 179.586 177.584 0.131 0.000 1.177 2113 A CA 2.084 54.174 52.037 0.089 0.000 0.636 2113 A CB -0.806 18.234 19.000 0.067 0.000 0.815 2113 A HN 0.421 nan 8.150 nan 0.000 0.449 2114 D N -0.602 119.887 120.400 0.149 0.000 2.221 2114 D HA -0.072 4.568 4.640 -0.001 0.000 0.204 2114 D C -0.031 176.391 176.300 0.204 0.000 0.982 2114 D CA 1.651 55.755 54.000 0.174 0.000 0.857 2114 D CB 0.030 40.940 40.800 0.183 0.000 0.934 2114 D HN 0.492 nan 8.370 nan 0.000 0.475 2115 D N -2.189 118.361 120.400 0.250 0.000 2.492 2115 D HA 0.062 4.702 4.640 -0.001 0.000 0.229 2115 D C -2.364 174.142 176.300 0.344 0.000 1.345 2115 D CA -0.968 53.195 54.000 0.272 0.000 0.912 2115 D CB 0.967 41.940 40.800 0.289 0.000 1.526 2115 D HN -0.174 nan 8.370 nan 0.000 0.505 2116 P HA 0.003 nan 4.420 nan 0.000 0.222 2116 P C 1.030 178.491 177.300 0.268 0.000 1.153 2116 P CA 0.739 63.956 63.100 0.195 0.000 0.798 2116 P CB 0.683 32.326 31.700 -0.095 0.000 0.796 2117 E N -0.033 120.294 120.200 0.212 0.000 2.051 2117 E HA -0.155 4.194 4.350 -0.001 0.000 0.192 2117 E C 2.017 178.689 176.600 0.120 0.000 0.991 2117 E CA 1.526 58.020 56.400 0.156 0.000 0.799 2117 E CB -1.502 28.271 29.700 0.121 0.000 0.748 2117 E HN 0.128 nan 8.360 nan 0.000 0.449 2118 V N -1.543 118.420 119.914 0.081 0.000 2.380 2118 V HA -0.267 3.853 4.120 -0.001 0.000 0.251 2118 V C 1.819 177.745 176.094 -0.280 0.000 1.063 2118 V CA 1.873 64.093 62.300 -0.133 0.000 1.055 2118 V CB -1.230 30.422 31.823 -0.285 0.000 0.657 2118 V HN 0.295 nan 8.190 nan 0.000 0.455 2119 W N 1.030 122.257 121.300 -0.120 0.000 2.374 2119 W HA 0.014 4.674 4.660 -0.001 0.000 0.288 2119 W C 2.687 179.215 176.519 0.015 0.000 1.218 2119 W CA 1.654 58.942 57.345 -0.096 0.000 1.245 2119 W CB -0.184 29.360 29.460 0.140 0.000 1.126 2119 W HN 0.403 nan 8.180 nan 0.000 0.545 2120 E N 1.443 121.765 120.200 0.204 0.000 2.060 2120 E HA -0.164 4.185 4.350 -0.001 0.000 0.189 2120 E C 2.010 178.620 176.600 0.017 0.000 0.974 2120 E CA 1.261 57.730 56.400 0.115 0.000 0.808 2120 E CB -0.218 29.549 29.700 0.112 0.000 0.768 2120 E HN 0.272 nan 8.360 nan 0.000 0.453 2121 K N -0.358 120.040 120.400 -0.004 0.000 2.504 2121 K HA -0.039 4.281 4.320 -0.001 0.000 0.195 2121 K C 1.424 177.985 176.600 -0.064 0.000 1.036 2121 K CA 0.672 56.943 56.287 -0.028 0.000 0.984 2121 K CB 0.339 32.831 32.500 -0.013 0.000 0.788 2121 K HN 0.060 nan 8.250 nan 0.000 0.488 2122 Q N 0.731 120.461 119.800 -0.117 0.000 2.217 2122 Q HA 0.215 4.555 4.340 -0.001 0.000 0.217 2122 Q C -0.283 175.671 176.000 -0.078 0.000 0.844 2122 Q CA 0.081 55.807 55.803 -0.127 0.000 0.957 2122 Q CB 1.283 29.833 28.738 -0.313 0.000 1.127 2122 Q HN 0.179 nan 8.270 nan 0.000 0.503 2123 S N 1.225 116.819 115.700 -0.176 0.000 2.564 2123 S HA 0.229 4.699 4.470 -0.001 0.000 0.278 2123 S C 0.264 174.771 174.600 -0.155 0.000 1.333 2123 S CA -0.128 57.847 58.200 -0.375 0.000 1.048 2123 S CB 0.655 63.665 63.200 -0.318 0.000 0.900 2123 S HN 0.118 nan 8.310 nan 0.000 0.505 2124 I N 2.392 122.888 120.570 -0.124 0.000 2.339 2124 I HA 0.374 4.544 4.170 -0.001 0.000 0.290 2124 I C 1.224 177.338 176.117 -0.005 0.000 0.994 2124 I CA 0.022 61.303 61.300 -0.032 0.000 1.191 2124 I CB 0.038 38.044 38.000 0.009 0.000 1.343 2124 I HN 0.947 nan 8.210 nan 0.000 0.458 2125 G N 5.030 113.834 108.800 0.008 0.000 2.160 2125 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.244 2125 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.244 2125 G C 0.767 175.708 174.900 0.069 0.000 1.022 2125 G CA 0.283 45.408 45.100 0.042 0.000 0.741 2125 G HN 0.850 nan 8.290 nan 0.000 0.508 2126 A N -0.636 122.188 122.820 0.006 0.000 2.275 2126 A HA 0.580 4.900 4.320 -0.001 0.000 0.212 2126 A C 1.372 178.846 177.584 -0.184 0.000 1.201 2126 A CA 1.634 53.646 52.037 -0.042 0.000 0.843 2126 A CB -0.187 18.797 19.000 -0.028 0.000 0.873 2126 A HN 1.081 nan 8.150 nan 0.000 0.492 2127 E N -1.509 118.619 120.200 -0.120 0.000 3.365 2127 E HA -0.294 4.055 4.350 -0.001 0.000 0.433 2127 E C 0.937 177.446 176.600 -0.152 0.000 1.581 2127 E CA 1.500 57.818 56.400 -0.136 0.000 1.316 2127 E CB -1.508 28.085 29.700 -0.179 0.000 1.452 2127 E HN 0.691 nan 8.360 nan 0.000 0.452 2128 G N 0.505 109.181 108.800 -0.208 0.000 4.547 2128 G HA2 0.283 4.242 3.960 -0.001 0.000 0.301 2128 G HA3 0.283 4.242 3.960 -0.001 0.000 0.301 2128 G C -0.587 174.171 174.900 -0.238 0.000 1.240 2128 G CA -0.490 44.507 45.100 -0.172 0.000 0.970 2128 G HN -0.036 nan 8.290 nan 0.000 0.574 2129 R N 0.701 121.006 120.500 -0.325 0.000 2.349 2129 R HA 0.267 4.606 4.340 -0.001 0.000 0.299 2129 R C -0.586 175.638 176.300 -0.126 0.000 1.027 2129 R CA -1.009 54.879 56.100 -0.352 0.000 0.958 2129 R CB 0.902 30.809 30.300 -0.654 0.000 1.047 2129 R HN 0.084 nan 8.270 nan 0.000 0.468 2130 N N 3.289 121.958 118.700 -0.052 0.000 3.124 2130 N HA 0.014 4.754 4.740 -0.001 0.000 0.284 2130 N C 0.562 176.124 175.510 0.087 0.000 1.209 2130 N CA -0.097 52.968 53.050 0.024 0.000 1.149 2130 N CB 0.239 38.745 38.487 0.033 0.000 1.434 2130 N HN 0.333 nan 8.380 nan 0.000 0.529 2131 L N 0.779 122.065 121.223 0.106 0.000 2.093 2131 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 2131 L C 2.178 179.150 176.870 0.171 0.000 1.085 2131 L CA 1.404 56.350 54.840 0.176 0.000 0.755 2131 L CB -0.986 41.198 42.059 0.207 0.000 0.904 2131 L HN 0.342 nan 8.230 nan 0.000 0.435 2132 T N -1.506 113.131 114.554 0.139 0.000 2.788 2132 T HA -0.241 4.109 4.350 -0.001 0.000 0.268 2132 T C 1.860 176.640 174.700 0.133 0.000 1.044 2132 T CA 1.354 63.522 62.100 0.114 0.000 1.139 2132 T CB -0.080 68.875 68.868 0.144 0.000 0.867 2132 T HN 0.202 nan 8.240 nan 0.000 0.454 2133 Q N 1.504 121.412 119.800 0.181 0.000 2.167 2133 Q HA 0.025 4.365 4.340 -0.001 0.000 0.202 2133 Q C 1.869 177.969 176.000 0.167 0.000 0.970 2133 Q CA 1.525 57.454 55.803 0.209 0.000 0.855 2133 Q CB -0.559 28.263 28.738 0.139 0.000 0.911 2133 Q HN 0.637 nan 8.270 nan 0.000 0.438 2134 N N -0.652 118.143 118.700 0.159 0.000 2.166 2134 N HA -0.125 4.614 4.740 -0.001 0.000 0.186 2134 N C 1.590 177.209 175.510 0.181 0.000 1.019 2134 N CA 1.291 54.461 53.050 0.200 0.000 0.856 2134 N CB -0.115 38.523 38.487 0.251 0.000 0.993 2134 N HN 0.259 nan 8.380 nan 0.000 0.426 2135 I N 0.698 121.277 120.570 0.016 0.000 2.090 2135 I HA -0.298 3.872 4.170 -0.001 0.000 0.236 2135 I C 1.877 177.879 176.117 -0.192 0.000 1.064 2135 I CA 1.534 62.646 61.300 -0.313 0.000 1.324 2135 I CB -0.551 37.169 38.000 -0.468 0.000 1.044 2135 I HN 0.210 nan 8.210 nan 0.000 0.399 2136 H N 0.489 119.538 119.070 -0.035 0.000 2.357 2136 H HA -0.188 4.367 4.556 -0.001 0.000 0.296 2136 H C 2.098 177.401 175.328 -0.042 0.000 1.108 2136 H CA 2.190 58.218 56.048 -0.033 0.000 1.273 2136 H CB -0.326 29.432 29.762 -0.006 0.000 1.367 2136 H HN 0.426 nan 8.280 nan 0.000 0.498 2137 N N -0.423 118.349 118.700 0.120 0.000 2.084 2137 N HA -0.165 4.575 4.740 -0.001 0.000 0.190 2137 N C 1.490 177.014 175.510 0.023 0.000 1.030 2137 N CA 0.901 53.995 53.050 0.073 0.000 0.849 2137 N CB -0.140 38.412 38.487 0.108 0.000 1.012 2137 N HN 0.156 nan 8.380 nan 0.000 0.423 2138 F N 1.929 121.811 119.950 -0.114 0.000 2.186 2138 F HA 0.026 4.552 4.527 -0.001 0.000 0.299 2138 F C 1.838 177.434 175.800 -0.341 0.000 1.090 2138 F CA 0.884 58.748 58.000 -0.228 0.000 1.307 2138 F CB -0.226 38.663 39.000 -0.186 0.000 1.019 2138 F HN -0.035 nan 8.300 nan 0.000 0.489 2139 L N 0.044 121.082 121.223 -0.309 0.000 2.079 2139 L HA -0.276 4.064 4.340 -0.001 0.000 0.210 2139 L C 2.527 179.158 176.870 -0.399 0.000 1.081 2139 L CA 1.826 56.447 54.840 -0.367 0.000 0.752 2139 L CB -0.793 41.167 42.059 -0.164 0.000 0.896 2139 L HN 0.130 nan 8.230 nan 0.000 0.433 2140 K N 0.184 120.410 120.400 -0.289 0.000 2.031 2140 K HA -0.194 4.125 4.320 -0.001 0.000 0.205 2140 K C 2.136 178.513 176.600 -0.371 0.000 1.049 2140 K CA 1.040 57.161 56.287 -0.276 0.000 0.939 2140 K CB -0.051 32.353 32.500 -0.160 0.000 0.717 2140 K HN 0.040 nan 8.250 nan 0.000 0.438 2141 L N 1.320 122.305 121.223 -0.398 0.000 1.994 2141 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 2141 L C 2.122 178.641 176.870 -0.586 0.000 1.071 2141 L CA 1.396 55.983 54.840 -0.421 0.000 0.745 2141 L CB -0.680 41.154 42.059 -0.375 0.000 0.892 2141 L HN 0.240 nan 8.230 nan 0.000 0.431 2142 L N -0.153 120.516 121.223 -0.922 0.000 1.997 2142 L HA -0.283 4.057 4.340 -0.001 0.000 0.216 2142 L C 2.745 179.174 176.870 -0.735 0.000 1.074 2142 L CA 2.319 56.632 54.840 -0.880 0.000 0.763 2142 L CB -0.733 40.662 42.059 -1.106 0.000 0.890 2142 L HN 0.365 nan 8.230 nan 0.000 0.434 2143 R N -0.688 119.229 120.500 -0.971 0.000 2.062 2143 R HA -0.149 4.191 4.340 -0.001 0.000 0.231 2143 R C 2.245 177.992 176.300 -0.922 0.000 1.136 2143 R CA 1.942 57.149 56.100 -1.488 0.000 0.948 2143 R CB -0.267 29.401 30.300 -1.054 0.000 0.845 2143 R HN 0.554 nan 8.270 nan 0.000 0.430 2144 E N -0.173 119.689 120.200 -0.563 0.000 2.152 2144 E HA -0.108 4.242 4.350 -0.001 0.000 0.192 2144 E C 1.566 178.015 176.600 -0.252 0.000 0.983 2144 E CA 0.749 56.935 56.400 -0.357 0.000 0.818 2144 E CB 0.219 29.761 29.700 -0.264 0.000 0.758 2144 E HN 0.210 nan 8.360 nan 0.000 0.467 2145 K N 0.697 120.950 120.400 -0.246 0.000 2.404 2145 K HA -0.039 4.280 4.320 -0.001 0.000 0.194 2145 K C -0.238 176.315 176.600 -0.078 0.000 1.023 2145 K CA 0.093 56.298 56.287 -0.136 0.000 1.094 2145 K CB 0.395 32.830 32.500 -0.107 0.000 0.841 2145 K HN -0.049 nan 8.250 nan 0.000 0.523 2146 D N 1.369 121.710 120.400 -0.098 0.000 2.689 2146 D HA -0.175 4.465 4.640 -0.001 0.000 0.237 2146 D C -0.887 175.574 176.300 0.269 0.000 1.148 2146 D CA 0.362 54.462 54.000 0.166 0.000 0.656 2146 D CB -0.824 40.081 40.800 0.174 0.000 1.050 2146 D HN -0.034 nan 8.370 nan 0.000 0.426 2147 L N 0.865 122.206 121.223 0.196 0.000 2.456 2147 L HA 0.422 4.762 4.340 -0.001 0.000 0.257 2147 L C 0.966 178.082 176.870 0.411 0.000 1.162 2147 L CA -0.123 54.864 54.840 0.245 0.000 0.808 2147 L CB 0.840 42.949 42.059 0.082 0.000 1.136 2147 L HN 0.226 nan 8.230 nan 0.000 0.466 2148 N N 0.485 119.452 118.700 0.445 0.000 2.446 2148 N HA 0.207 4.947 4.740 -0.001 0.000 0.265 2148 N C -1.347 174.430 175.510 0.445 0.000 0.975 2148 N CA -0.273 53.064 53.050 0.479 0.000 0.928 2148 N CB 0.967 39.758 38.487 0.507 0.000 1.160 2148 N HN 0.520 nan 8.380 nan 0.000 0.495 2149 C N 6.896 126.452 119.300 0.427 0.000 2.816 2149 C HA 0.548 5.008 4.460 -0.001 0.000 0.255 2149 C C -2.490 172.526 174.990 0.044 0.000 1.141 2149 C CA -1.859 57.389 59.018 0.382 0.000 1.554 2149 C CB -0.812 27.260 27.740 0.553 0.000 1.778 2149 C HN 0.635 nan 8.230 nan 0.000 0.429 2150 P HA 0.122 nan 4.420 nan 0.000 0.267 2150 P C -0.527 176.735 177.300 -0.064 0.000 1.200 2150 P CA 0.418 63.177 63.100 -0.569 0.000 0.772 2150 P CB 0.488 32.139 31.700 -0.081 0.000 0.855 2151 L N 3.192 124.389 121.223 -0.043 0.000 2.349 2151 L HA 0.260 4.600 4.340 -0.001 0.000 0.275 2151 L C 0.993 178.003 176.870 0.235 0.000 1.115 2151 L CA 0.340 55.237 54.840 0.095 0.000 0.820 2151 L CB 0.135 42.107 42.059 -0.145 0.000 1.135 2151 L HN 0.331 nan 8.230 nan 0.000 0.445 2152 N N 2.005 120.937 118.700 0.386 0.000 2.791 2152 N HA 0.241 4.981 4.740 -0.001 0.000 0.265 2152 N C -0.237 175.488 175.510 0.358 0.000 1.580 2152 N CA -0.085 53.166 53.050 0.334 0.000 0.809 2152 N CB 0.445 39.096 38.487 0.272 0.000 1.178 2152 N HN 0.387 nan 8.380 nan 0.000 0.499 2153 F N -0.449 119.574 119.950 0.122 0.000 2.694 2153 F HA 0.307 4.833 4.527 -0.001 0.000 0.292 2153 F C 0.902 176.756 175.800 0.089 0.000 1.121 2153 F CA 0.061 58.130 58.000 0.115 0.000 1.352 2153 F CB 0.506 39.681 39.000 0.292 0.000 1.107 2153 F HN -0.012 nan 8.300 nan 0.000 0.597 2154 V N 2.261 122.343 119.914 0.281 0.000 2.555 2154 V HA 0.083 4.202 4.120 -0.001 0.000 0.286 2154 V C -0.160 175.994 176.094 0.099 0.000 1.044 2154 V CA -0.479 61.931 62.300 0.184 0.000 1.026 2154 V CB 0.519 32.475 31.823 0.222 0.000 0.981 2154 V HN -0.012 nan 8.190 nan 0.000 0.480 2155 D N 5.359 125.795 120.400 0.059 0.000 2.277 2155 D HA 0.429 5.069 4.640 -0.001 0.000 0.250 2155 D C -2.278 174.031 176.300 0.015 0.000 1.032 2155 D CA -1.403 52.606 54.000 0.015 0.000 0.947 2155 D CB 1.150 41.941 40.800 -0.016 0.000 1.159 2155 D HN 0.307 nan 8.370 nan 0.000 0.460 2156 P HA 0.037 nan 4.420 nan 0.000 0.269 2156 P C 0.400 177.692 177.300 -0.012 0.000 1.217 2156 P CA 0.071 63.162 63.100 -0.014 0.000 0.783 2156 P CB 0.550 32.237 31.700 -0.022 0.000 0.898 2157 Q N -0.205 119.585 119.800 -0.016 0.000 2.508 2157 Q HA -0.048 4.291 4.340 -0.001 0.000 0.214 2157 Q C -0.311 175.682 176.000 -0.012 0.000 0.979 2157 Q CA 0.686 56.485 55.803 -0.007 0.000 0.911 2157 Q CB -0.622 28.110 28.738 -0.009 0.000 0.969 2157 Q HN 0.544 nan 8.270 nan 0.000 0.504 2158 T N 1.577 116.119 114.554 -0.020 0.000 0.587 2158 T HA -0.184 4.165 4.350 -0.001 0.000 0.768 2158 T C -0.459 174.229 174.700 -0.020 0.000 0.992 2158 T CA 0.130 62.216 62.100 -0.024 0.000 4.050 2158 T CB -0.508 68.341 68.868 -0.031 0.000 2.287 2158 T HN 0.409 nan 8.240 nan 0.000 0.395 2159 D N 2.355 122.743 120.400 -0.021 0.000 2.982 2159 D HA -0.076 4.564 4.640 -0.001 0.000 0.222 2159 D C 0.961 177.252 176.300 -0.014 0.000 1.124 2159 D CA 0.637 54.626 54.000 -0.017 0.000 0.810 2159 D CB 0.417 41.206 40.800 -0.018 0.000 1.152 2159 D HN 0.457 nan 8.370 nan 0.000 0.538 2160 R N 2.634 123.128 120.500 -0.010 0.000 3.863 2160 R HA 0.195 4.535 4.340 -0.001 0.000 0.304 2160 R C 0.540 176.837 176.300 -0.005 0.000 1.485 2160 R CA -0.253 55.843 56.100 -0.006 0.000 1.355 2160 R CB 0.364 30.664 30.300 0.000 0.000 1.457 2160 R HN 0.206 nan 8.270 nan 0.000 0.669 2161 S N -1.354 114.341 115.700 -0.008 0.000 3.050 2161 S HA 0.112 4.582 4.470 -0.001 0.000 0.261 2161 S C 0.437 175.033 174.600 -0.008 0.000 1.057 2161 S CA -0.175 58.020 58.200 -0.007 0.000 1.012 2161 S CB 0.309 63.505 63.200 -0.007 0.000 0.919 2161 S HN 0.285 nan 8.310 nan 0.000 0.429 2162 S N 2.094 117.788 115.700 -0.010 0.000 2.640 2162 S HA 0.318 4.788 4.470 -0.001 0.000 0.262 2162 S C -0.525 174.069 174.600 -0.009 0.000 1.232 2162 S CA -0.234 57.960 58.200 -0.010 0.000 0.988 2162 S CB 0.310 63.503 63.200 -0.012 0.000 1.034 2162 S HN 0.480 nan 8.310 nan 0.000 0.569 2163 D N 0.777 121.172 120.400 -0.008 0.000 2.359 2163 D HA 0.373 5.012 4.640 -0.001 0.000 0.250 2163 D C 0.840 177.135 176.300 -0.010 0.000 1.264 2163 D CA -0.160 53.835 54.000 -0.008 0.000 0.911 2163 D CB 0.606 41.403 40.800 -0.006 0.000 1.056 2163 D HN 0.498 nan 8.370 nan 0.000 0.499 2164 A N 3.976 126.790 122.820 -0.011 0.000 2.032 2164 A HA -0.174 4.146 4.320 -0.001 0.000 0.221 2164 A C 2.091 179.667 177.584 -0.014 0.000 1.165 2164 A CA 1.817 53.845 52.037 -0.015 0.000 0.645 2164 A CB -0.398 18.592 19.000 -0.017 0.000 0.807 2164 A HN 0.620 nan 8.150 nan 0.000 0.453 2165 A N -1.262 121.553 122.820 -0.009 0.000 2.125 2165 A HA -0.048 4.272 4.320 -0.001 0.000 0.219 2165 A C 1.142 178.722 177.584 -0.007 0.000 1.156 2165 A CA 0.969 53.002 52.037 -0.006 0.000 0.671 2165 A CB -0.100 18.898 19.000 -0.002 0.000 0.794 2165 A HN 0.480 nan 8.150 nan 0.000 0.459 2166 Q N 0.003 119.797 119.800 -0.009 0.000 2.842 2166 Q HA 0.469 4.808 4.340 -0.001 0.000 0.323 2166 Q C -0.463 175.529 176.000 -0.014 0.000 1.111 2166 Q CA 0.037 55.834 55.803 -0.010 0.000 1.047 2166 Q CB 0.146 28.879 28.738 -0.009 0.000 1.280 2166 Q HN 0.374 nan 8.270 nan 0.000 0.475 2167 A N 2.225 125.035 122.820 -0.016 0.000 2.915 2167 A HA 0.286 4.605 4.320 -0.001 0.000 0.292 2167 A C 0.211 177.782 177.584 -0.022 0.000 1.632 2167 A CA -0.137 51.887 52.037 -0.022 0.000 1.337 2167 A CB -0.252 18.732 19.000 -0.027 0.000 1.111 2167 A HN 0.395 nan 8.150 nan 0.000 0.569 2168 R N 2.705 123.193 120.500 -0.020 0.000 2.343 2168 R HA 0.484 4.824 4.340 -0.001 0.000 0.320 2168 R C -0.098 176.188 176.300 -0.022 0.000 0.956 2168 R CA 0.699 56.788 56.100 -0.020 0.000 0.836 2168 R CB 0.657 30.947 30.300 -0.016 0.000 1.151 2168 R HN 1.369 nan 8.270 nan 0.000 0.450 2169 S N 2.762 118.448 115.700 -0.024 0.000 3.465 2169 S HA -0.083 4.386 4.470 -0.001 0.000 0.849 2169 S C -2.320 172.264 174.600 -0.027 0.000 1.200 2169 S CA -0.261 57.925 58.200 -0.024 0.000 0.947 2169 S CB -0.931 62.255 63.200 -0.023 0.000 0.609 2169 S HN 0.675 nan 8.310 nan 0.000 0.300 2170 P HA 0.281 nan 4.420 nan 0.000 0.267 2170 P C -0.242 177.047 177.300 -0.020 0.000 1.289 2170 P CA -0.228 62.858 63.100 -0.022 0.000 0.866 2170 P CB -0.232 31.453 31.700 -0.025 0.000 1.309 2171 N N 0.721 119.402 118.700 -0.032 0.000 2.395 2171 N HA 0.059 4.799 4.740 -0.001 0.000 0.246 2171 N C -0.088 175.386 175.510 -0.061 0.000 1.246 2171 N CA -0.087 52.936 53.050 -0.046 0.000 0.879 2171 N CB -0.004 38.448 38.487 -0.058 0.000 1.098 2171 N HN -0.027 nan 8.380 nan 0.000 0.444 2172 L N 2.052 123.217 121.223 -0.098 0.000 2.410 2172 L HA 0.209 4.548 4.340 -0.001 0.000 0.273 2172 L C 0.454 177.222 176.870 -0.170 0.000 1.152 2172 L CA 0.379 55.119 54.840 -0.166 0.000 0.855 2172 L CB -0.132 41.729 42.059 -0.330 0.000 1.129 2172 L HN 0.660 nan 8.230 nan 0.000 0.463 2173 R N 4.710 125.122 120.500 -0.145 0.000 2.740 2173 R HA 0.519 4.859 4.340 -0.001 0.000 0.273 2173 R C -1.310 174.921 176.300 -0.116 0.000 0.998 2173 R CA -0.950 55.079 56.100 -0.118 0.000 0.900 2173 R CB 0.812 31.067 30.300 -0.074 0.000 1.223 2173 R HN 0.563 nan 8.270 nan 0.000 0.466 2174 I N 3.512 124.020 120.570 -0.103 0.000 2.505 2174 I HA 0.004 4.173 4.170 -0.001 0.000 0.287 2174 I C 1.472 177.555 176.117 -0.056 0.000 1.104 2174 I CA -0.308 60.937 61.300 -0.093 0.000 1.387 2174 I CB 1.496 39.445 38.000 -0.085 0.000 1.404 2174 I HN 0.586 nan 8.210 nan 0.000 0.528 2175 V N 1.977 121.862 119.914 -0.048 0.000 3.621 2175 V HA 0.345 4.465 4.120 -0.001 0.000 0.285 2175 V C 0.411 176.498 176.094 -0.013 0.000 1.346 2175 V CA 0.282 62.567 62.300 -0.025 0.000 1.104 2175 V CB -0.383 31.429 31.823 -0.018 0.000 0.913 2175 V HN 0.906 nan 8.190 nan 0.000 0.432 2176 E N 0.538 120.728 120.200 -0.016 0.000 2.857 2176 E HA 0.288 4.638 4.350 -0.001 0.000 0.309 2176 E C -1.724 174.874 176.600 -0.002 0.000 1.113 2176 E CA -0.575 55.826 56.400 0.002 0.000 0.906 2176 E CB 1.456 31.163 29.700 0.012 0.000 1.191 2176 E HN 0.501 nan 8.360 nan 0.000 0.449 2177 K N 1.763 122.181 120.400 0.030 0.000 2.156 2177 K HA 0.629 4.948 4.320 -0.001 0.000 0.250 2177 K C 0.050 176.724 176.600 0.124 0.000 0.955 2177 K CA -0.571 55.748 56.287 0.053 0.000 0.855 2177 K CB 2.024 34.612 32.500 0.148 0.000 1.101 2177 K HN 0.638 nan 8.250 nan 0.000 0.434 2178 T N -3.264 111.398 114.554 0.180 0.000 2.604 2178 T HA 0.234 4.584 4.350 -0.001 0.000 0.267 2178 T C 0.182 175.116 174.700 0.390 0.000 0.923 2178 T CA -0.600 61.627 62.100 0.212 0.000 1.077 2178 T CB 0.897 69.844 68.868 0.131 0.000 1.392 2178 T HN 0.342 nan 8.240 nan 0.000 0.531 2179 D N 0.114 120.692 120.400 0.296 0.000 2.323 2179 D HA 0.075 4.715 4.640 -0.001 0.000 0.209 2179 D C 1.003 177.581 176.300 0.462 0.000 0.973 2179 D CA 0.644 54.835 54.000 0.319 0.000 0.874 2179 D CB 0.087 40.980 40.800 0.154 0.000 0.930 2179 D HN 0.468 nan 8.370 nan 0.000 0.521 2180 D N -0.468 120.186 120.400 0.424 0.000 2.355 2180 D HA 0.173 4.813 4.640 -0.001 0.000 0.206 2180 D C 1.290 177.913 176.300 0.538 0.000 1.010 2180 D CA 0.520 54.800 54.000 0.466 0.000 0.875 2180 D CB 1.646 42.591 40.800 0.242 0.000 0.966 2180 D HN 0.211 nan 8.370 nan 0.000 0.512 2181 G N 0.473 109.369 108.800 0.160 0.000 2.360 2181 G HA2 0.330 4.290 3.960 -0.001 0.000 0.276 2181 G HA3 0.330 4.290 3.960 -0.001 0.000 0.276 2181 G C -1.551 172.924 174.900 -0.709 0.000 1.256 2181 G CA -0.441 44.153 45.100 -0.844 0.000 0.890 2181 G HN 0.105 nan 8.290 nan 0.000 0.486 2182 I N -1.924 118.181 120.570 -0.774 0.000 2.797 2182 I HA 0.880 5.050 4.170 -0.001 0.000 0.307 2182 I C -1.159 174.829 176.117 -0.216 0.000 1.033 2182 I CA -1.395 59.634 61.300 -0.452 0.000 1.071 2182 I CB 2.118 39.797 38.000 -0.534 0.000 1.255 2182 I HN 0.296 nan 8.210 nan 0.000 0.445 2183 I N 4.682 125.197 120.570 -0.090 0.000 2.404 2183 I HA 0.499 4.668 4.170 -0.001 0.000 0.293 2183 I C -0.149 175.922 176.117 -0.077 0.000 0.992 2183 I CA -0.572 60.713 61.300 -0.024 0.000 1.149 2183 I CB 1.875 39.898 38.000 0.038 0.000 1.315 2183 I HN 0.534 nan 8.210 nan 0.000 0.446 2184 V N 3.311 123.176 119.914 -0.082 0.000 2.680 2184 V HA 0.692 4.812 4.120 -0.001 0.000 0.309 2184 V C -0.732 175.336 176.094 -0.043 0.000 1.052 2184 V CA -0.518 61.712 62.300 -0.118 0.000 0.908 2184 V CB 1.931 33.604 31.823 -0.251 0.000 1.001 2184 V HN 0.820 nan 8.190 nan 0.000 0.431 2185 N N 1.598 120.269 118.700 -0.048 0.000 2.310 2185 N HA 0.723 5.463 4.740 -0.001 0.000 0.292 2185 N C -0.244 175.268 175.510 0.003 0.000 1.049 2185 N CA 0.530 53.588 53.050 0.013 0.000 0.849 2185 N CB 2.437 40.928 38.487 0.007 0.000 1.532 2185 N HN 1.519 nan 8.380 nan 0.000 0.479 2186 G N 0.448 109.290 108.800 0.069 0.000 2.302 2186 G HA2 0.133 4.092 3.960 -0.001 0.000 0.276 2186 G HA3 0.133 4.092 3.960 -0.001 0.000 0.276 2186 G C -1.444 173.557 174.900 0.168 0.000 1.316 2186 G CA -0.182 44.953 45.100 0.058 0.000 0.988 2186 G HN 0.901 nan 8.290 nan 0.000 0.479 2187 V N -2.925 117.064 119.914 0.125 0.000 3.040 2187 V HA 0.962 5.082 4.120 -0.001 0.000 0.312 2187 V C -1.012 175.179 176.094 0.162 0.000 1.115 2187 V CA -1.289 61.128 62.300 0.194 0.000 0.998 2187 V CB 2.159 34.036 31.823 0.089 0.000 1.042 2187 V HN 0.775 nan 8.190 nan 0.000 0.433 2188 K N 2.664 123.209 120.400 0.241 0.000 2.339 2188 K HA 0.784 5.104 4.320 -0.001 0.000 0.264 2188 K C -0.000 176.669 176.600 0.115 0.000 0.986 2188 K CA -0.037 56.349 56.287 0.165 0.000 0.866 2188 K CB 1.473 34.120 32.500 0.245 0.000 1.103 2188 K HN 1.171 nan 8.250 nan 0.000 0.441 2189 A N 1.656 124.518 122.820 0.070 0.000 2.322 2189 A HA 0.427 4.747 4.320 -0.001 0.000 0.269 2189 A C -0.126 177.490 177.584 0.053 0.000 1.094 2189 A CA -0.452 51.606 52.037 0.035 0.000 0.807 2189 A CB 0.290 19.289 19.000 -0.002 0.000 1.047 2189 A HN 0.551 nan 8.150 nan 0.000 0.487 2190 V N 0.161 120.080 119.914 0.009 0.000 4.760 2190 V HA -0.083 4.037 4.120 -0.001 0.000 0.419 2190 V C 0.709 176.867 176.094 0.106 0.000 0.686 2190 V CA 1.045 63.355 62.300 0.017 0.000 1.642 2190 V CB -1.734 30.076 31.823 -0.021 0.000 1.965 2190 V HN 1.689 nan 8.190 nan 0.000 0.481 2191 G N 3.490 112.345 108.800 0.091 0.000 2.617 2191 G HA2 0.710 4.669 3.960 -0.001 0.000 0.306 2191 G HA3 0.710 4.669 3.960 -0.001 0.000 0.306 2191 G C -0.622 174.337 174.900 0.099 0.000 1.360 2191 G CA -0.378 44.798 45.100 0.127 0.000 0.983 2191 G HN 0.610 nan 8.290 nan 0.000 0.496 2192 T N 0.555 115.178 114.554 0.114 0.000 2.771 2192 T HA 0.522 4.872 4.350 -0.001 0.000 0.281 2192 T C 1.230 176.052 174.700 0.204 0.000 0.982 2192 T CA 0.823 62.992 62.100 0.114 0.000 0.978 2192 T CB 1.381 70.295 68.868 0.076 0.000 0.930 2192 T HN 1.835 nan 8.240 nan 0.000 0.447 2193 G N 2.787 111.737 108.800 0.250 0.000 2.153 2193 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.252 2193 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.252 2193 G C 1.014 176.151 174.900 0.394 0.000 0.994 2193 G CA 0.001 45.345 45.100 0.406 0.000 0.698 2193 G HN 0.672 nan 8.290 nan 0.000 0.521 2194 I N 0.666 121.389 120.570 0.254 0.000 2.264 2194 I HA -0.176 3.994 4.170 -0.001 0.000 0.248 2194 I C 3.027 179.226 176.117 0.137 0.000 1.111 2194 I CA 2.061 63.466 61.300 0.174 0.000 1.382 2194 I CB -1.512 36.553 38.000 0.109 0.000 1.060 2194 I HN 0.463 nan 8.210 nan 0.000 0.418 2195 A N -0.594 122.277 122.820 0.084 0.000 2.168 2195 A HA -0.053 4.266 4.320 -0.001 0.000 0.215 2195 A C 1.739 179.180 177.584 -0.239 0.000 1.152 2195 A CA 0.771 52.716 52.037 -0.153 0.000 0.716 2195 A CB -0.699 18.097 19.000 -0.340 0.000 0.794 2195 A HN 0.375 nan 8.150 nan 0.000 0.465 2196 F N -0.738 119.349 119.950 0.228 0.000 2.678 2196 F HA 0.320 4.847 4.527 -0.001 0.000 0.305 2196 F C 1.480 177.510 175.800 0.383 0.000 1.090 2196 F CA -0.124 58.075 58.000 0.331 0.000 1.272 2196 F CB 0.239 39.511 39.000 0.454 0.000 1.060 2196 F HN 0.192 nan 8.300 nan 0.000 0.576 2197 G N -0.335 108.715 108.800 0.416 0.000 2.502 2197 G HA2 0.153 4.113 3.960 -0.001 0.000 0.305 2197 G HA3 0.153 4.113 3.960 -0.001 0.000 0.305 2197 G C 0.214 175.306 174.900 0.321 0.000 1.190 2197 G CA -0.323 45.013 45.100 0.394 0.000 0.933 2197 G HN 0.023 nan 8.290 nan 0.000 0.503 2198 D N -1.116 119.508 120.400 0.374 0.000 2.197 2198 D HA 0.035 4.675 4.640 -0.001 0.000 0.212 2198 D C -0.170 176.318 176.300 0.313 0.000 0.963 2198 D CA 1.335 55.534 54.000 0.332 0.000 0.864 2198 D CB 0.280 41.333 40.800 0.421 0.000 1.009 2198 D HN 0.267 nan 8.370 nan 0.000 0.479 2199 Y N -0.300 120.144 120.300 0.239 0.000 2.630 2199 Y HA 0.384 4.933 4.550 -0.001 0.000 0.337 2199 Y C 0.254 176.291 175.900 0.229 0.000 1.051 2199 Y CA -1.143 57.095 58.100 0.231 0.000 1.121 2199 Y CB 1.368 40.026 38.460 0.331 0.000 1.299 2199 Y HN -0.238 nan 8.280 nan 0.000 0.498 2200 M N 0.511 120.326 119.600 0.359 0.000 2.456 2200 M HA 0.479 4.958 4.480 -0.001 0.000 0.324 2200 M C -1.385 175.172 176.300 0.429 0.000 1.124 2200 M CA -0.589 54.911 55.300 0.333 0.000 0.959 2200 M CB 2.040 34.784 32.600 0.241 0.000 1.692 2200 M HN 0.773 nan 8.290 nan 0.000 0.444 2201 H N 4.142 123.423 119.070 0.352 0.000 2.914 2201 H HA 0.462 5.018 4.556 -0.000 0.000 0.264 2201 H C -1.155 174.412 175.328 0.400 0.000 1.433 2201 H CA -0.657 55.650 56.048 0.432 0.000 1.342 2201 H CB 0.373 30.383 29.762 0.414 0.000 1.582 2201 H HN 0.739 nan 8.280 nan 0.000 0.525 2202 I N 4.663 125.430 120.570 0.328 0.000 2.471 2202 I HA 0.213 4.383 4.170 -0.001 0.000 0.286 2202 I C 0.991 176.885 176.117 -0.372 0.000 1.079 2202 I CA 0.483 61.773 61.300 -0.016 0.000 1.398 2202 I CB 1.118 39.054 38.000 -0.107 0.000 1.403 2202 I HN 0.666 nan 8.210 nan 0.000 0.530 2203 G N 4.701 112.840 108.800 -1.101 0.000 2.682 2203 G HA2 0.677 4.636 3.960 -0.001 0.000 0.303 2203 G HA3 0.677 4.636 3.960 -0.001 0.000 0.303 2203 G C -1.597 172.357 174.900 -1.576 0.000 1.341 2203 G CA -0.429 43.436 45.100 -2.058 0.000 0.784 2203 G HN 0.854 nan 8.290 nan 0.000 0.497 2204 C N -1.128 117.449 119.300 -1.205 0.000 3.285 2204 C HA 0.827 5.286 4.460 -0.001 0.000 0.325 2204 C C -1.465 173.585 174.990 0.100 0.000 1.304 2204 C CA -1.136 57.653 59.018 -0.382 0.000 1.319 2204 C CB 0.671 28.189 27.740 -0.371 0.000 1.640 2204 C HN 0.722 nan 8.230 nan 0.000 0.477 2205 L N 2.315 123.631 121.223 0.156 0.000 2.317 2205 L HA 0.432 4.772 4.340 -0.001 0.000 0.281 2205 L C -0.074 176.895 176.870 0.164 0.000 1.024 2205 L CA -0.234 54.737 54.840 0.219 0.000 0.810 2205 L CB 0.836 42.983 42.059 0.148 0.000 1.240 2205 L HN 0.993 nan 8.230 nan 0.000 0.427 2206 Y N 4.314 124.675 120.300 0.102 0.000 2.597 2206 Y HA 0.239 4.789 4.550 -0.001 0.000 0.336 2206 Y C 0.452 176.378 175.900 0.044 0.000 1.216 2206 Y CA 0.032 58.173 58.100 0.069 0.000 1.463 2206 Y CB 0.461 38.959 38.460 0.063 0.000 1.303 2206 Y HN 0.709 nan 8.280 nan 0.000 0.576 2207 R N 5.399 125.402 120.500 -0.828 0.000 2.651 2207 R HA 0.561 4.900 4.340 -0.001 0.000 0.278 2207 R C -3.316 172.376 176.300 -1.013 0.000 1.010 2207 R CA -2.381 53.340 56.100 -0.631 0.000 0.896 2207 R CB 1.387 31.525 30.300 -0.270 0.000 1.211 2207 R HN 0.331 nan 8.270 nan 0.000 0.456 2208 P HA 0.023 nan 4.420 nan 0.000 0.264 2208 P C 0.508 177.694 177.300 -0.190 0.000 1.183 2208 P CA 1.519 64.497 63.100 -0.203 0.000 0.763 2208 P CB 0.633 32.337 31.700 0.006 0.000 0.807 2209 G N 2.897 111.640 108.800 -0.096 0.000 2.143 2209 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.248 2209 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.248 2209 G C 0.180 175.025 174.900 -0.091 0.000 0.991 2209 G CA -0.298 44.768 45.100 -0.057 0.000 0.689 2209 G HN 0.628 nan 8.290 nan 0.000 0.522 2210 I N 1.033 121.501 120.570 -0.171 0.000 2.517 2210 I HA 0.250 4.419 4.170 -0.001 0.000 0.285 2210 I C 0.131 176.233 176.117 -0.025 0.000 1.106 2210 I CA -1.981 59.242 61.300 -0.129 0.000 1.402 2210 I CB 1.121 39.001 38.000 -0.201 0.000 1.399 2210 I HN -0.032 nan 8.210 nan 0.000 0.535 2211 P HA -0.108 nan 4.420 nan 0.000 0.208 2211 P C 0.809 178.129 177.300 0.033 0.000 1.180 2211 P CA 2.399 65.501 63.100 0.003 0.000 0.935 2211 P CB 0.110 31.803 31.700 -0.012 0.000 0.785 2212 G N -2.597 106.225 108.800 0.037 0.000 3.134 2212 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.195 2212 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.195 2212 G C 0.738 175.663 174.900 0.043 0.000 1.054 2212 G CA 0.203 45.343 45.100 0.066 0.000 0.828 2212 G HN 0.344 nan 8.290 nan 0.000 0.462 2213 E N 0.994 121.201 120.200 0.012 0.000 2.511 2213 E HA 0.209 4.558 4.350 -0.001 0.000 0.196 2213 E C 2.015 178.589 176.600 -0.042 0.000 1.066 2213 E CA 0.831 57.223 56.400 -0.013 0.000 0.871 2213 E CB 0.083 29.772 29.700 -0.018 0.000 0.863 2213 E HN 0.641 nan 8.360 nan 0.000 0.520 2214 Q N -0.201 119.576 119.800 -0.037 0.000 2.350 2214 Q HA 0.138 4.478 4.340 -0.001 0.000 0.225 2214 Q C -0.100 175.845 176.000 -0.092 0.000 0.878 2214 Q CA 0.001 55.757 55.803 -0.079 0.000 0.935 2214 Q CB 1.079 29.772 28.738 -0.074 0.000 1.099 2214 Q HN 0.096 nan 8.270 nan 0.000 0.527 2215 V N 3.072 122.983 119.914 -0.005 0.000 2.341 2215 V HA 0.136 4.256 4.120 -0.001 0.000 0.248 2215 V C -0.141 175.983 176.094 0.049 0.000 1.107 2215 V CA 0.654 62.990 62.300 0.059 0.000 1.069 2215 V CB -0.563 31.426 31.823 0.277 0.000 1.177 2215 V HN 0.168 nan 8.190 nan 0.000 0.492 2216 I N 5.180 125.610 120.570 -0.233 0.000 2.499 2216 I HA 0.525 4.695 4.170 -0.001 0.000 0.288 2216 I C -0.950 174.885 176.117 -0.471 0.000 1.048 2216 I CA -0.314 60.859 61.300 -0.210 0.000 1.062 2216 I CB 2.047 39.882 38.000 -0.276 0.000 1.238 2216 I HN 0.298 nan 8.210 nan 0.000 0.426 2217 F N 5.085 125.105 119.950 0.115 0.000 2.499 2217 F HA 0.824 5.351 4.527 -0.001 0.000 0.333 2217 F C 0.253 176.001 175.800 -0.087 0.000 1.138 2217 F CA -0.401 57.699 58.000 0.165 0.000 0.945 2217 F CB 1.950 41.271 39.000 0.534 0.000 1.181 2217 F HN 0.514 nan 8.300 nan 0.000 0.435 2218 A N 1.970 124.727 122.820 -0.104 0.000 2.581 2218 A HA 0.949 5.269 4.320 -0.001 0.000 0.290 2218 A C -1.907 175.476 177.584 -0.335 0.000 1.119 2218 A CA -0.647 50.986 52.037 -0.675 0.000 0.670 2218 A CB 1.296 20.021 19.000 -0.459 0.000 1.280 2218 A HN 1.094 nan 8.150 nan 0.000 0.425 2219 A N 0.775 123.292 122.820 -0.507 0.000 2.411 2219 A HA 0.690 5.010 4.320 -0.001 0.000 0.285 2219 A C -0.565 177.008 177.584 -0.019 0.000 1.129 2219 A CA -0.119 51.822 52.037 -0.159 0.000 0.736 2219 A CB 0.129 18.771 19.000 -0.597 0.000 1.186 2219 A HN 1.976 nan 8.150 nan 0.000 0.445 2220 I N -0.213 120.426 120.570 0.116 0.000 2.689 2220 I HA 0.750 4.920 4.170 -0.001 0.000 0.299 2220 I C -2.984 172.991 176.117 -0.235 0.000 1.059 2220 I CA -3.098 58.197 61.300 -0.009 0.000 1.055 2220 I CB 2.462 40.432 38.000 -0.050 0.000 1.243 2220 I HN 0.214 nan 8.210 nan 0.000 0.425 2221 P HA 0.072 nan 4.420 nan 0.000 0.266 2221 P C 0.485 177.615 177.300 -0.283 0.000 1.193 2221 P CA 0.106 62.761 63.100 -0.743 0.000 0.770 2221 P CB 0.559 31.939 31.700 -0.534 0.000 0.836 2222 T N 0.720 115.166 114.554 -0.180 0.000 2.833 2222 T HA -0.168 4.181 4.350 -0.001 0.000 0.269 2222 T C 1.114 175.747 174.700 -0.111 0.000 1.054 2222 T CA 1.847 63.895 62.100 -0.086 0.000 1.135 2222 T CB -0.946 67.905 68.868 -0.028 0.000 0.869 2222 T HN 0.666 nan 8.240 nan 0.000 0.466 2223 N N 0.775 119.404 118.700 -0.118 0.000 2.313 2223 N HA 0.023 4.763 4.740 -0.001 0.000 0.207 2223 N C -0.430 175.026 175.510 -0.091 0.000 1.141 2223 N CA -0.248 52.743 53.050 -0.099 0.000 0.830 2223 N CB -0.007 38.431 38.487 -0.082 0.000 1.008 2223 N HN 0.001 nan 8.380 nan 0.000 0.481 2224 T N 3.220 117.714 114.554 -0.100 0.000 2.866 2224 T HA 0.051 4.400 4.350 -0.001 0.000 0.293 2224 T C -2.313 172.357 174.700 -0.050 0.000 1.005 2224 T CA -0.454 61.605 62.100 -0.067 0.000 1.162 2224 T CB 0.685 69.518 68.868 -0.059 0.000 0.968 2224 T HN 0.213 nan 8.240 nan 0.000 0.530 2225 P HA 0.237 nan 4.420 nan 0.000 0.263 2225 P C 0.974 178.269 177.300 -0.007 0.000 1.195 2225 P CA 0.658 63.750 63.100 -0.014 0.000 0.762 2225 P CB 0.319 32.025 31.700 0.009 0.000 0.799 2226 G N 1.278 110.060 108.800 -0.029 0.000 2.179 2226 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.220 2226 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.220 2226 G C -0.119 174.729 174.900 -0.086 0.000 0.990 2226 G CA -0.318 44.767 45.100 -0.025 0.000 0.646 2226 G HN 0.513 nan 8.290 nan 0.000 0.517 2227 V N 1.742 121.564 119.914 -0.153 0.000 2.394 2227 V HA 0.702 4.822 4.120 -0.001 0.000 0.282 2227 V C 0.243 176.165 176.094 -0.285 0.000 1.031 2227 V CA 0.096 62.209 62.300 -0.311 0.000 0.881 2227 V CB 1.636 33.248 31.823 -0.352 0.000 0.982 2227 V HN 0.275 nan 8.190 nan 0.000 0.451 2228 T N 4.164 118.508 114.554 -0.351 0.000 2.840 2228 T HA 0.444 4.794 4.350 -0.001 0.000 0.287 2228 T C -0.391 174.014 174.700 -0.491 0.000 0.991 2228 T CA -0.411 61.427 62.100 -0.437 0.000 0.964 2228 T CB 1.555 70.075 68.868 -0.580 0.000 0.954 2228 T HN 0.334 nan 8.240 nan 0.000 0.438 2229 V N 4.275 123.938 119.914 -0.418 0.000 2.368 2229 V HA 0.390 4.510 4.120 -0.001 0.000 0.266 2229 V C -0.595 175.301 176.094 -0.330 0.000 1.045 2229 V CA -0.663 61.469 62.300 -0.280 0.000 0.899 2229 V CB -0.404 31.324 31.823 -0.158 0.000 1.006 2229 V HN 0.754 nan 8.190 nan 0.000 0.470 2230 F N 3.588 123.474 119.950 -0.107 0.000 2.350 2230 F HA 0.429 4.956 4.527 -0.000 0.000 0.365 2230 F C 0.715 176.505 175.800 -0.018 0.000 1.122 2230 F CA -0.348 57.598 58.000 -0.090 0.000 1.139 2230 F CB 0.726 39.604 39.000 -0.202 0.000 1.220 2230 F HN 0.408 nan 8.300 nan 0.000 0.499 2231 C N 3.741 123.151 119.300 0.184 0.000 2.405 2231 C HA 0.562 5.022 4.460 -0.001 0.000 0.365 2231 C C 0.778 175.851 174.990 0.139 0.000 1.233 2231 C CA -1.228 57.871 59.018 0.135 0.000 2.230 2231 C CB 0.780 28.587 27.740 0.111 0.000 2.443 2231 C HN 0.886 nan 8.230 nan 0.000 0.556 2232 R N 2.071 122.631 120.500 0.101 0.000 2.905 2232 R HA 0.207 4.546 4.340 -0.001 0.000 0.273 2232 R C 0.207 176.569 176.300 0.103 0.000 1.033 2232 R CA -0.070 56.082 56.100 0.087 0.000 1.182 2232 R CB 0.359 30.697 30.300 0.063 0.000 1.097 2232 R HN 0.855 nan 8.270 nan 0.000 0.504 2233 E N 0.844 121.100 120.200 0.093 0.000 2.390 2233 E HA 0.070 4.420 4.350 -0.001 0.000 0.261 2233 E C -0.810 175.853 176.600 0.105 0.000 1.076 2233 E CA -0.648 55.809 56.400 0.096 0.000 0.905 2233 E CB 1.037 30.786 29.700 0.083 0.000 0.984 2233 E HN 0.492 nan 8.360 nan 0.000 0.427 2234 S N 0.867 116.634 115.700 0.111 0.000 2.537 2234 S HA 0.134 4.603 4.470 -0.001 0.000 0.275 2234 S C 0.433 175.105 174.600 0.121 0.000 1.272 2234 S CA -0.182 58.097 58.200 0.131 0.000 1.050 2234 S CB 0.741 64.028 63.200 0.144 0.000 0.961 2234 S HN 0.633 nan 8.310 nan 0.000 0.496 2235 T N 1.354 115.998 114.554 0.149 0.000 3.243 2235 T HA 0.277 4.627 4.350 -0.001 0.000 0.264 2235 T C 0.318 175.086 174.700 0.113 0.000 1.000 2235 T CA -0.277 61.904 62.100 0.135 0.000 0.901 2235 T CB -0.889 68.082 68.868 0.171 0.000 1.083 2235 T HN 0.586 nan 8.240 nan 0.000 0.559 2236 V N -0.106 119.862 119.914 0.089 0.000 2.555 2236 V HA 0.496 4.616 4.120 -0.001 0.000 0.286 2236 V C 0.093 176.150 176.094 -0.063 0.000 1.044 2236 V CA -1.213 61.088 62.300 0.002 0.000 1.026 2236 V CB 0.452 32.307 31.823 0.054 0.000 0.981 2236 V HN 0.166 nan 8.190 nan 0.000 0.480 2237 K N 4.128 124.428 120.400 -0.165 0.000 2.118 2237 K HA 0.262 4.582 4.320 -0.001 0.000 0.264 2237 K C 1.016 177.568 176.600 -0.079 0.000 1.000 2237 K CA 0.108 56.288 56.287 -0.177 0.000 0.929 2237 K CB 1.119 33.399 32.500 -0.367 0.000 1.021 2237 K HN 0.960 nan 8.250 nan 0.000 0.463 2238 N N -0.098 118.581 118.700 -0.035 0.000 2.299 2238 N HA -0.082 4.658 4.740 -0.001 0.000 0.187 2238 N C -0.523 174.993 175.510 0.010 0.000 1.099 2238 N CA -0.088 52.960 53.050 -0.004 0.000 0.867 2238 N CB 0.457 38.948 38.487 0.006 0.000 0.974 2238 N HN 0.347 nan 8.380 nan 0.000 0.477 2239 D N 1.408 121.830 120.400 0.036 0.000 2.472 2239 D HA 0.271 4.911 4.640 -0.001 0.000 0.234 2239 D C -1.875 174.449 176.300 0.040 0.000 1.088 2239 D CA -2.326 51.701 54.000 0.044 0.000 0.882 2239 D CB 1.877 42.715 40.800 0.064 0.000 1.037 2239 D HN -0.056 nan 8.370 nan 0.000 0.520 2240 P HA -0.090 nan 4.420 nan 0.000 0.218 2240 P C 1.084 178.352 177.300 -0.053 0.000 1.148 2240 P CA 1.031 64.114 63.100 -0.028 0.000 0.822 2240 P CB 0.325 32.006 31.700 -0.031 0.000 0.784 2241 A N 0.107 122.892 122.820 -0.058 0.000 1.902 2241 A HA -0.192 4.128 4.320 -0.001 0.000 0.217 2241 A C 2.056 179.554 177.584 -0.144 0.000 1.181 2241 A CA 1.558 53.539 52.037 -0.094 0.000 0.623 2241 A CB -0.871 18.079 19.000 -0.083 0.000 0.818 2241 A HN 0.091 nan 8.150 nan 0.000 0.443 2242 E N -0.618 119.489 120.200 -0.156 0.000 2.318 2242 E HA 0.029 4.379 4.350 -0.001 0.000 0.193 2242 E C -0.367 175.881 176.600 -0.587 0.000 0.998 2242 E CA 0.570 56.773 56.400 -0.329 0.000 0.859 2242 E CB -0.081 29.440 29.700 -0.298 0.000 0.812 2242 E HN 0.825 nan 8.360 nan 0.000 0.492 2243 H N -0.402 118.603 119.070 -0.108 0.000 2.761 2243 H HA 0.186 4.742 4.556 -0.001 0.000 0.263 2243 H C -1.981 173.239 175.328 -0.180 0.000 1.292 2243 H CA -1.473 54.489 56.048 -0.144 0.000 1.540 2243 H CB 1.500 31.167 29.762 -0.158 0.000 1.569 2243 H HN -0.089 nan 8.280 nan 0.000 0.510 2244 P HA -0.120 nan 4.420 nan 0.000 0.219 2244 P C 0.890 178.096 177.300 -0.158 0.000 1.150 2244 P CA 1.034 64.069 63.100 -0.110 0.000 0.814 2244 P CB 0.704 32.344 31.700 -0.100 0.000 0.787 2245 L N -1.569 119.510 121.223 -0.240 0.000 2.269 2245 L HA 0.201 4.540 4.340 -0.001 0.000 0.200 2245 L C 2.474 178.752 176.870 -0.986 0.000 1.069 2245 L CA 0.883 55.464 54.840 -0.431 0.000 0.804 2245 L CB -1.104 40.784 42.059 -0.286 0.000 0.987 2245 L HN -0.166 nan 8.230 nan 0.000 0.468 2246 A N 0.372 122.559 122.820 -1.055 0.000 2.019 2246 A HA -0.183 4.136 4.320 -0.001 0.000 0.219 2246 A C 2.364 179.452 177.584 -0.827 0.000 1.164 2246 A CA 1.814 53.001 52.037 -1.417 0.000 0.644 2246 A CB -0.603 17.999 19.000 -0.664 0.000 0.805 2246 A HN 0.495 nan 8.150 nan 0.000 0.449 2247 S N -0.850 114.590 115.700 -0.433 0.000 2.607 2247 S HA -0.049 4.420 4.470 -0.001 0.000 0.224 2247 S C 1.469 175.978 174.600 -0.152 0.000 0.969 2247 S CA 0.765 58.832 58.200 -0.221 0.000 0.927 2247 S CB -0.254 62.883 63.200 -0.106 0.000 0.772 2247 S HN 0.686 nan 8.310 nan 0.000 0.533 2248 Q N 0.854 120.537 119.800 -0.196 0.000 2.424 2248 Q HA 0.347 4.687 4.340 -0.001 0.000 0.204 2248 Q C 0.696 176.790 176.000 0.156 0.000 0.933 2248 Q CA 0.393 56.196 55.803 -0.000 0.000 0.929 2248 Q CB 0.406 29.169 28.738 0.042 0.000 1.037 2248 Q HN 0.744 nan 8.270 nan 0.000 0.511 2249 G N 1.283 110.183 108.800 0.166 0.000 2.351 2249 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.472 2249 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.472 2249 G C -2.096 173.103 174.900 0.499 0.000 1.570 2249 G CA -0.945 44.334 45.100 0.298 0.000 0.921 2249 G HN -0.008 nan 8.290 nan 0.000 0.674 2250 D N 0.623 121.220 120.400 0.328 0.000 2.329 2250 D HA 0.355 4.994 4.640 -0.001 0.000 0.232 2250 D C 0.326 176.521 176.300 -0.175 0.000 1.088 2250 D CA -0.397 53.771 54.000 0.279 0.000 0.835 2250 D CB 1.494 42.452 40.800 0.264 0.000 1.078 2250 D HN 0.451 nan 8.370 nan 0.000 0.495 2251 E N 4.667 124.653 120.200 -0.357 0.000 1.795 2251 E HA 0.089 4.438 4.350 -0.001 0.000 0.261 2251 E C -0.003 176.507 176.600 -0.150 0.000 1.238 2251 E CA -0.296 55.609 56.400 -0.824 0.000 1.001 2251 E CB 0.051 29.523 29.700 -0.380 0.000 1.065 2251 E HN 0.492 nan 8.360 nan 0.000 0.418 2252 L N 4.035 125.201 121.223 -0.094 0.000 2.456 2252 L HA 0.074 4.413 4.340 -0.001 0.000 0.272 2252 L C 0.522 177.477 176.870 0.142 0.000 1.189 2252 L CA 0.237 55.161 54.840 0.141 0.000 0.846 2252 L CB 0.413 42.624 42.059 0.254 0.000 1.111 2252 L HN 0.468 nan 8.230 nan 0.000 0.475 2253 D N 1.348 121.807 120.400 0.098 0.000 2.268 2253 D HA 0.572 5.212 4.640 -0.001 0.000 0.249 2253 D C -0.473 175.861 176.300 0.055 0.000 1.008 2253 D CA -0.167 53.850 54.000 0.028 0.000 0.939 2253 D CB 2.109 42.858 40.800 -0.086 0.000 1.170 2253 D HN 0.564 nan 8.370 nan 0.000 0.468 2254 S N -1.027 114.703 115.700 0.050 0.000 2.570 2254 S HA 0.484 4.954 4.470 -0.001 0.000 0.270 2254 S C -0.764 173.870 174.600 0.056 0.000 1.149 2254 S CA -0.908 57.331 58.200 0.064 0.000 0.837 2254 S CB 1.938 65.181 63.200 0.072 0.000 1.124 2254 S HN 0.349 nan 8.310 nan 0.000 0.465 2255 T N 0.958 115.554 114.554 0.070 0.000 2.794 2255 T HA 0.634 4.984 4.350 -0.001 0.000 0.280 2255 T C -0.729 174.024 174.700 0.088 0.000 0.987 2255 T CA -0.204 61.936 62.100 0.066 0.000 0.993 2255 T CB 0.892 69.778 68.868 0.029 0.000 0.939 2255 T HN 0.693 nan 8.240 nan 0.000 0.449 2256 T N 4.777 119.369 114.554 0.063 0.000 2.756 2256 T HA 0.464 4.813 4.350 -0.001 0.000 0.290 2256 T C -0.202 174.462 174.700 -0.060 0.000 0.985 2256 T CA -0.499 61.570 62.100 -0.051 0.000 0.955 2256 T CB 0.972 69.782 68.868 -0.096 0.000 0.930 2256 T HN 0.567 nan 8.240 nan 0.000 0.451 2257 V N 4.842 124.690 119.914 -0.110 0.000 2.406 2257 V HA 0.386 4.506 4.120 -0.001 0.000 0.272 2257 V C -0.550 175.410 176.094 -0.223 0.000 1.043 2257 V CA -0.650 61.630 62.300 -0.034 0.000 0.915 2257 V CB 0.142 32.021 31.823 0.094 0.000 0.988 2257 V HN 0.757 nan 8.190 nan 0.000 0.466 2258 F N 2.701 122.643 119.950 -0.013 0.000 2.334 2258 F HA 0.331 4.858 4.527 -0.001 0.000 0.367 2258 F C 0.471 176.258 175.800 -0.022 0.000 1.115 2258 F CA -0.802 57.181 58.000 -0.028 0.000 1.116 2258 F CB 0.963 39.937 39.000 -0.044 0.000 1.230 2258 F HN 0.481 nan 8.300 nan 0.000 0.484 2259 D N 3.419 123.875 120.400 0.093 0.000 2.494 2259 D HA 0.184 4.824 4.640 -0.001 0.000 0.217 2259 D C -0.134 176.205 176.300 0.064 0.000 1.153 2259 D CA -0.018 54.019 54.000 0.061 0.000 0.954 2259 D CB -0.402 40.412 40.800 0.025 0.000 1.034 2259 D HN 0.599 nan 8.370 nan 0.000 0.518 2260 N N 1.493 120.234 118.700 0.068 0.000 2.699 2260 N HA -0.205 4.534 4.740 -0.001 0.000 0.256 2260 N C -0.225 175.330 175.510 0.074 0.000 0.993 2260 N CA 0.380 53.463 53.050 0.055 0.000 0.759 2260 N CB -0.569 37.939 38.487 0.035 0.000 0.906 2260 N HN 0.286 nan 8.380 nan 0.000 0.541 2261 V N -1.533 118.442 119.914 0.101 0.000 2.583 2261 V HA 0.456 4.576 4.120 -0.001 0.000 0.287 2261 V C 0.307 176.461 176.094 0.101 0.000 1.051 2261 V CA -0.811 61.557 62.300 0.113 0.000 1.010 2261 V CB 1.039 32.957 31.823 0.159 0.000 0.988 2261 V HN 0.230 nan 8.190 nan 0.000 0.478 2262 F N 5.744 125.673 119.950 -0.035 0.000 2.420 2262 F HA 0.672 5.198 4.527 -0.001 0.000 0.352 2262 F C -0.070 175.674 175.800 -0.092 0.000 1.108 2262 F CA -0.638 57.316 58.000 -0.076 0.000 1.162 2262 F CB 0.611 39.571 39.000 -0.066 0.000 1.118 2262 F HN 0.510 nan 8.300 nan 0.000 0.510 2263 I N 8.550 128.569 120.570 -0.918 0.000 2.355 2263 I HA 0.302 4.472 4.170 -0.001 0.000 0.288 2263 I C -2.302 173.046 176.117 -1.281 0.000 0.999 2263 I CA -2.356 58.421 61.300 -0.870 0.000 1.163 2263 I CB 1.473 39.160 38.000 -0.522 0.000 1.316 2263 I HN 0.444 nan 8.210 nan 0.000 0.454 2264 P HA -0.017 nan 4.420 nan 0.000 0.268 2264 P C 0.209 177.305 177.300 -0.340 0.000 1.205 2264 P CA 0.024 62.757 63.100 -0.612 0.000 0.771 2264 P CB 0.463 32.062 31.700 -0.168 0.000 0.858 2265 W N 1.996 123.224 121.300 -0.120 0.000 2.313 2265 W HA -0.228 4.432 4.660 -0.001 0.000 0.293 2265 W C 2.182 178.665 176.519 -0.060 0.000 1.216 2265 W CA 1.388 58.691 57.345 -0.070 0.000 1.223 2265 W CB -0.541 28.918 29.460 -0.002 0.000 1.138 2265 W HN 0.506 nan 8.180 nan 0.000 0.535 2266 E N 0.246 120.556 120.200 0.183 0.000 2.265 2266 E HA -0.258 4.092 4.350 -0.001 0.000 0.196 2266 E C 1.451 178.088 176.600 0.062 0.000 0.996 2266 E CA 1.320 57.800 56.400 0.133 0.000 0.832 2266 E CB -0.606 29.167 29.700 0.122 0.000 0.756 2266 E HN 0.459 nan 8.360 nan 0.000 0.491 2267 Q N 1.068 120.834 119.800 -0.057 0.000 2.282 2267 Q HA 0.139 4.478 4.340 -0.001 0.000 0.206 2267 Q C 0.306 176.022 176.000 -0.474 0.000 0.878 2267 Q CA 0.002 55.686 55.803 -0.199 0.000 0.944 2267 Q CB 1.472 30.099 28.738 -0.185 0.000 1.100 2267 Q HN 0.273 nan 8.270 nan 0.000 0.509 2268 V N -2.235 117.496 119.914 -0.305 0.000 2.532 2268 V HA 0.341 4.461 4.120 -0.001 0.000 0.295 2268 V C 0.042 176.043 176.094 -0.155 0.000 1.041 2268 V CA -0.453 61.639 62.300 -0.346 0.000 0.926 2268 V CB 0.682 32.437 31.823 -0.114 0.000 0.992 2268 V HN 0.038 nan 8.190 nan 0.000 0.457 2269 F N 2.274 122.298 119.950 0.124 0.000 2.553 2269 F HA 0.497 5.024 4.527 -0.001 0.000 0.282 2269 F C 0.942 176.965 175.800 0.372 0.000 1.089 2269 F CA 0.603 58.680 58.000 0.129 0.000 1.411 2269 F CB -0.172 38.768 39.000 -0.100 0.000 1.125 2269 F HN 0.859 nan 8.300 nan 0.000 0.610 2270 H N 0.106 119.474 119.070 0.496 0.000 3.094 2270 H HA 0.553 5.108 4.556 -0.001 0.000 0.346 2270 H C -1.583 173.997 175.328 0.419 0.000 1.238 2270 H CA -1.288 55.045 56.048 0.475 0.000 1.209 2270 H CB 2.104 32.246 29.762 0.634 0.000 1.911 2270 H HN 0.102 nan 8.280 nan 0.000 0.540 2271 I N -0.418 120.025 120.570 -0.211 0.000 2.913 2271 I HA 0.613 4.782 4.170 -0.001 0.000 0.302 2271 I C 0.589 176.597 176.117 -0.183 0.000 1.246 2271 I CA -0.137 61.161 61.300 -0.002 0.000 1.010 2271 I CB 2.222 40.244 38.000 0.036 0.000 1.259 2271 I HN 0.745 nan 8.210 nan 0.000 0.434 2272 G N 3.734 112.586 108.800 0.088 0.000 2.213 2272 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.236 2272 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.236 2272 G C -0.045 174.951 174.900 0.159 0.000 0.991 2272 G CA 0.417 45.566 45.100 0.081 0.000 0.629 2272 G HN 0.985 nan 8.290 nan 0.000 0.517 2273 N N 1.039 119.945 118.700 0.342 0.000 2.621 2273 N HA 0.524 5.264 4.740 -0.001 0.000 0.237 2273 N C -1.420 174.291 175.510 0.336 0.000 0.997 2273 N CA -1.988 51.256 53.050 0.324 0.000 0.918 2273 N CB 1.603 40.302 38.487 0.354 0.000 1.122 2273 N HN -0.043 nan 8.380 nan 0.000 0.510 2274 P HA -0.170 nan 4.420 nan 0.000 0.218 2274 P C 0.725 178.171 177.300 0.245 0.000 1.148 2274 P CA 1.055 64.341 63.100 0.311 0.000 0.822 2274 P CB 0.337 32.212 31.700 0.292 0.000 0.784 2275 E N -1.507 118.775 120.200 0.137 0.000 2.106 2275 E HA -0.203 4.147 4.350 -0.001 0.000 0.192 2275 E C 1.987 178.595 176.600 0.013 0.000 0.984 2275 E CA 1.161 57.571 56.400 0.017 0.000 0.806 2275 E CB -0.833 28.884 29.700 0.028 0.000 0.750 2275 E HN 0.462 nan 8.360 nan 0.000 0.458 2276 H N 0.678 119.723 119.070 -0.042 0.000 2.428 2276 H HA 0.097 4.653 4.556 -0.001 0.000 0.296 2276 H C 1.639 176.869 175.328 -0.163 0.000 1.062 2276 H CA 1.402 57.329 56.048 -0.202 0.000 1.350 2276 H CB 0.052 29.595 29.762 -0.365 0.000 1.403 2276 H HN 0.105 nan 8.280 nan 0.000 0.533 2277 A N -0.032 122.796 122.820 0.014 0.000 2.239 2277 A HA 0.026 4.346 4.320 -0.001 0.000 0.209 2277 A C 1.029 178.696 177.584 0.138 0.000 1.171 2277 A CA 0.262 52.397 52.037 0.164 0.000 0.768 2277 A CB -0.369 18.861 19.000 0.384 0.000 0.790 2277 A HN 0.269 nan 8.150 nan 0.000 0.478 2278 K N -0.209 120.169 120.400 -0.037 0.000 2.268 2278 K HA 0.487 4.806 4.320 -0.001 0.000 0.276 2278 K C 0.102 176.640 176.600 -0.103 0.000 1.080 2278 K CA -0.336 55.864 56.287 -0.146 0.000 0.910 2278 K CB 0.125 32.378 32.500 -0.412 0.000 1.163 2278 K HN 0.095 nan 8.250 nan 0.000 0.465 2279 L N 3.462 124.647 121.223 -0.063 0.000 2.346 2279 L HA -0.316 4.024 4.340 -0.001 0.000 0.468 2279 L C 0.618 177.374 176.870 -0.189 0.000 0.714 2279 L CA 1.609 56.374 54.840 -0.125 0.000 3.079 2279 L CB -1.637 40.306 42.059 -0.193 0.000 0.758 2279 L HN 0.739 nan 8.230 nan 0.000 0.731 2280 Y N -0.085 120.055 120.300 -0.267 0.000 2.243 2280 Y HA -0.035 4.514 4.550 -0.001 0.000 0.293 2280 Y C -0.407 175.478 175.900 -0.024 0.000 1.124 2280 Y CA 1.839 59.750 58.100 -0.315 0.000 1.159 2280 Y CB -1.231 36.642 38.460 -0.978 0.000 1.008 2280 Y HN 0.233 nan 8.280 nan 0.000 0.527 2281 P HA -0.217 nan 4.420 nan 0.000 0.219 2281 P C 1.296 178.813 177.300 0.363 0.000 1.146 2281 P CA 1.740 65.136 63.100 0.493 0.000 0.808 2281 P CB -0.075 31.990 31.700 0.608 0.000 0.779 2282 Q N 0.078 119.999 119.800 0.200 0.000 2.084 2282 Q HA -0.193 4.147 4.340 -0.001 0.000 0.202 2282 Q C 2.098 178.173 176.000 0.125 0.000 0.978 2282 Q CA 1.558 57.446 55.803 0.143 0.000 0.844 2282 Q CB -0.175 28.595 28.738 0.053 0.000 0.898 2282 Q HN 0.116 nan 8.270 nan 0.000 0.426 2283 R N 0.044 120.578 120.500 0.057 0.000 2.115 2283 R HA -0.023 4.317 4.340 -0.001 0.000 0.230 2283 R C 2.283 178.611 176.300 0.047 0.000 1.111 2283 R CA 1.312 57.429 56.100 0.029 0.000 0.976 2283 R CB -0.221 30.060 30.300 -0.031 0.000 0.870 2283 R HN 0.347 nan 8.270 nan 0.000 0.445 2284 I N -0.279 120.330 120.570 0.066 0.000 2.335 2284 I HA -0.273 3.897 4.170 -0.001 0.000 0.251 2284 I C 1.202 177.197 176.117 -0.204 0.000 1.129 2284 I CA 1.382 62.637 61.300 -0.075 0.000 1.402 2284 I CB -0.062 37.870 38.000 -0.114 0.000 1.069 2284 I HN 0.116 nan 8.210 nan 0.000 0.424 2285 F N 0.386 120.226 119.950 -0.183 0.000 2.765 2285 F HA -0.028 4.499 4.527 -0.000 0.000 0.302 2285 F C 1.875 177.452 175.800 -0.371 0.000 1.111 2285 F CA 0.240 58.028 58.000 -0.354 0.000 1.359 2285 F CB -0.231 38.483 39.000 -0.477 0.000 1.097 2285 F HN 0.018 nan 8.300 nan 0.000 0.577 2286 D N -0.173 120.217 120.400 -0.016 0.000 2.106 2286 D HA -0.243 4.397 4.640 -0.001 0.000 0.191 2286 D C 1.905 178.154 176.300 -0.086 0.000 0.997 2286 D CA 1.652 55.650 54.000 -0.004 0.000 0.834 2286 D CB -0.456 40.263 40.800 -0.136 0.000 0.956 2286 D HN 0.343 nan 8.370 nan 0.000 0.448 2287 W N 0.609 121.929 121.300 0.033 0.000 2.467 2287 W HA -0.050 4.609 4.660 -0.001 0.000 0.275 2287 W C 2.427 178.962 176.519 0.027 0.000 1.239 2287 W CA 0.011 57.403 57.345 0.079 0.000 1.266 2287 W CB -0.357 29.224 29.460 0.201 0.000 1.112 2287 W HN -0.186 nan 8.180 nan 0.000 0.576 2288 V N -0.254 119.731 119.914 0.118 0.000 2.307 2288 V HA -0.328 3.792 4.120 -0.001 0.000 0.245 2288 V C 1.885 178.051 176.094 0.120 0.000 1.045 2288 V CA 2.127 64.448 62.300 0.036 0.000 1.024 2288 V CB -1.020 30.733 31.823 -0.118 0.000 0.651 2288 V HN 0.287 nan 8.190 nan 0.000 0.449 2289 H N -2.022 117.114 119.070 0.109 0.000 2.387 2289 H HA -0.218 4.338 4.556 -0.001 0.000 0.299 2289 H C 2.184 177.413 175.328 -0.165 0.000 1.090 2289 H CA 1.954 58.034 56.048 0.054 0.000 1.332 2289 H CB -0.109 29.778 29.762 0.208 0.000 1.386 2289 H HN 0.556 nan 8.280 nan 0.000 0.516 2290 Y N 0.728 120.786 120.300 -0.403 0.000 2.181 2290 Y HA -0.298 4.251 4.550 -0.001 0.000 0.288 2290 Y C 2.892 178.665 175.900 -0.211 0.000 1.146 2290 Y CA 1.596 59.337 58.100 -0.598 0.000 1.164 2290 Y CB -0.200 37.916 38.460 -0.574 0.000 0.982 2290 Y HN 0.308 nan 8.280 nan 0.000 0.515 2291 H N 0.411 119.314 119.070 -0.277 0.000 2.387 2291 H HA -0.162 4.394 4.556 -0.001 0.000 0.299 2291 H C 2.137 177.285 175.328 -0.300 0.000 1.090 2291 H CA 2.093 57.913 56.048 -0.379 0.000 1.332 2291 H CB -0.160 29.428 29.762 -0.291 0.000 1.386 2291 H HN 0.479 nan 8.280 nan 0.000 0.516 2292 I N 0.652 121.159 120.570 -0.106 0.000 2.163 2292 I HA -0.307 3.862 4.170 -0.001 0.000 0.243 2292 I C 2.905 178.864 176.117 -0.263 0.000 1.085 2292 I CA 0.768 61.990 61.300 -0.129 0.000 1.347 2292 I CB -0.301 37.696 38.000 -0.006 0.000 1.044 2292 I HN 0.265 nan 8.210 nan 0.000 0.408 2293 L N 0.686 121.759 121.223 -0.250 0.000 2.042 2293 L HA -0.267 4.072 4.340 -0.001 0.000 0.210 2293 L C 2.577 179.260 176.870 -0.310 0.000 1.076 2293 L CA 1.876 56.574 54.840 -0.236 0.000 0.749 2293 L CB -0.263 41.711 42.059 -0.142 0.000 0.893 2293 L HN 0.247 nan 8.230 nan 0.000 0.432 2294 I N -0.826 119.470 120.570 -0.457 0.000 2.163 2294 I HA -0.368 3.802 4.170 -0.001 0.000 0.243 2294 I C 2.775 178.680 176.117 -0.354 0.000 1.085 2294 I CA 1.278 62.318 61.300 -0.432 0.000 1.347 2294 I CB -0.457 37.194 38.000 -0.581 0.000 1.044 2294 I HN 0.281 nan 8.210 nan 0.000 0.408 2295 R N 0.538 120.782 120.500 -0.426 0.000 2.081 2295 R HA -0.196 4.144 4.340 -0.001 0.000 0.235 2295 R C 2.377 178.513 176.300 -0.273 0.000 1.131 2295 R CA 1.629 57.536 56.100 -0.322 0.000 0.960 2295 R CB -0.174 29.947 30.300 -0.298 0.000 0.856 2295 R HN 0.484 nan 8.270 nan 0.000 0.436 2296 Q N -0.418 119.158 119.800 -0.373 0.000 2.084 2296 Q HA -0.142 4.198 4.340 -0.001 0.000 0.202 2296 Q C 2.141 178.062 176.000 -0.132 0.000 0.978 2296 Q CA 1.683 57.179 55.803 -0.510 0.000 0.844 2296 Q CB -0.016 28.256 28.738 -0.775 0.000 0.898 2296 Q HN 0.177 nan 8.270 nan 0.000 0.426 2297 V N 1.180 121.027 119.914 -0.113 0.000 2.343 2297 V HA -0.258 3.861 4.120 -0.001 0.000 0.247 2297 V C 2.174 178.323 176.094 0.092 0.000 1.051 2297 V CA 1.510 63.800 62.300 -0.016 0.000 1.036 2297 V CB -0.520 31.261 31.823 -0.069 0.000 0.654 2297 V HN 0.362 nan 8.190 nan 0.000 0.451 2298 L N -0.490 120.741 121.223 0.012 0.000 2.083 2298 L HA -0.166 4.174 4.340 -0.001 0.000 0.209 2298 L C 2.746 179.655 176.870 0.065 0.000 1.083 2298 L CA 1.389 56.245 54.840 0.026 0.000 0.752 2298 L CB -0.572 41.462 42.059 -0.042 0.000 0.899 2298 L HN 0.264 nan 8.230 nan 0.000 0.433 2299 R N 0.850 121.400 120.500 0.084 0.000 2.075 2299 R HA -0.092 4.248 4.340 -0.001 0.000 0.232 2299 R C 2.236 178.704 176.300 0.281 0.000 1.126 2299 R CA 1.687 57.888 56.100 0.169 0.000 0.963 2299 R CB -0.778 29.652 30.300 0.218 0.000 0.858 2299 R HN 0.290 nan 8.270 nan 0.000 0.435 2300 A N 0.530 123.566 122.820 0.360 0.000 1.940 2300 A HA -0.208 4.112 4.320 -0.001 0.000 0.219 2300 A C 2.125 179.859 177.584 0.249 0.000 1.176 2300 A CA 1.800 54.078 52.037 0.402 0.000 0.631 2300 A CB -0.634 18.543 19.000 0.295 0.000 0.814 2300 A HN 0.597 nan 8.150 nan 0.000 0.446 2301 E N -0.610 119.675 120.200 0.141 0.000 2.072 2301 E HA -0.181 4.169 4.350 -0.001 0.000 0.191 2301 E C 1.916 178.495 176.600 -0.035 0.000 0.985 2301 E CA 1.264 57.585 56.400 -0.132 0.000 0.801 2301 E CB -0.180 29.433 29.700 -0.146 0.000 0.750 2301 E HN 0.465 nan 8.360 nan 0.000 0.452 2302 L N 1.114 122.362 121.223 0.042 0.000 2.046 2302 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 2302 L C 2.115 179.035 176.870 0.082 0.000 1.077 2302 L CA 1.527 56.398 54.840 0.050 0.000 0.747 2302 L CB -0.349 41.747 42.059 0.061 0.000 0.896 2302 L HN 0.205 nan 8.230 nan 0.000 0.432 2303 I N -1.541 119.113 120.570 0.140 0.000 2.286 2303 I HA -0.271 3.898 4.170 -0.001 0.000 0.248 2303 I C 2.289 178.464 176.117 0.098 0.000 1.115 2303 I CA 1.079 62.473 61.300 0.157 0.000 1.392 2303 I CB -0.354 37.776 38.000 0.217 0.000 1.065 2303 I HN 0.098 nan 8.210 nan 0.000 0.418 2304 V N 0.922 120.882 119.914 0.077 0.000 2.295 2304 V HA -0.211 3.909 4.120 -0.001 0.000 0.246 2304 V C 2.624 178.730 176.094 0.020 0.000 1.049 2304 V CA 2.183 64.508 62.300 0.041 0.000 1.024 2304 V CB -1.522 30.301 31.823 -0.000 0.000 0.648 2304 V HN 0.563 nan 8.190 nan 0.000 0.447 2305 G N 0.003 108.806 108.800 0.006 0.000 2.459 2305 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.217 2305 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.217 2305 G C 1.600 176.512 174.900 0.021 0.000 1.183 2305 G CA 1.157 46.260 45.100 0.005 0.000 0.776 2305 G HN 0.459 nan 8.290 nan 0.000 0.552 2306 L N 0.657 121.901 121.223 0.035 0.000 2.079 2306 L HA -0.111 4.228 4.340 -0.001 0.000 0.210 2306 L C 3.403 180.292 176.870 0.033 0.000 1.081 2306 L CA 1.091 55.956 54.840 0.040 0.000 0.752 2306 L CB -0.391 41.711 42.059 0.070 0.000 0.896 2306 L HN 0.335 nan 8.230 nan 0.000 0.433 2307 A N 0.117 122.957 122.820 0.032 0.000 1.897 2307 A HA -0.129 4.191 4.320 -0.001 0.000 0.215 2307 A C 2.209 179.806 177.584 0.021 0.000 1.181 2307 A CA 1.246 53.295 52.037 0.020 0.000 0.620 2307 A CB -0.535 18.475 19.000 0.017 0.000 0.821 2307 A HN 0.327 nan 8.150 nan 0.000 0.443 2308 I N -0.360 120.223 120.570 0.023 0.000 2.226 2308 I HA -0.251 3.918 4.170 -0.001 0.000 0.245 2308 I C 2.396 178.533 176.117 0.032 0.000 1.100 2308 I CA 1.053 62.367 61.300 0.024 0.000 1.374 2308 I CB -0.299 37.711 38.000 0.018 0.000 1.057 2308 I HN 0.304 nan 8.210 nan 0.000 0.413 2309 L N -0.095 121.148 121.223 0.033 0.000 2.005 2309 L HA -0.210 4.129 4.340 -0.001 0.000 0.207 2309 L C 2.572 179.481 176.870 0.065 0.000 1.072 2309 L CA 1.114 55.981 54.840 0.045 0.000 0.744 2309 L CB -0.453 41.623 42.059 0.027 0.000 0.895 2309 L HN 0.202 nan 8.230 nan 0.000 0.433 2310 I N -0.730 119.865 120.570 0.041 0.000 2.361 2310 I HA -0.254 3.916 4.170 -0.001 0.000 0.251 2310 I C 2.379 178.541 176.117 0.074 0.000 1.133 2310 I CA 1.672 62.998 61.300 0.044 0.000 1.413 2310 I CB -0.241 37.769 38.000 0.016 0.000 1.073 2310 I HN 0.118 nan 8.210 nan 0.000 0.424 2311 T N -0.516 114.071 114.554 0.055 0.000 2.978 2311 T HA -0.043 4.307 4.350 -0.001 0.000 0.262 2311 T C 1.735 176.467 174.700 0.054 0.000 1.063 2311 T CA 1.071 63.198 62.100 0.045 0.000 1.140 2311 T CB -0.045 68.838 68.868 0.024 0.000 0.886 2311 T HN 0.427 nan 8.240 nan 0.000 0.470 2312 E N -0.429 119.807 120.200 0.061 0.000 2.152 2312 E HA -0.114 4.236 4.350 -0.001 0.000 0.192 2312 E C 1.859 178.496 176.600 0.063 0.000 0.983 2312 E CA 0.788 57.218 56.400 0.050 0.000 0.818 2312 E CB -0.076 29.651 29.700 0.044 0.000 0.758 2312 E HN 0.606 nan 8.360 nan 0.000 0.467 2313 H N 0.493 119.573 119.070 0.017 0.000 2.389 2313 H HA -0.003 4.553 4.556 -0.001 0.000 0.299 2313 H C 1.879 177.224 175.328 0.028 0.000 1.081 2313 H CA 1.392 57.454 56.048 0.023 0.000 1.345 2313 H CB 0.172 29.949 29.762 0.025 0.000 1.393 2313 H HN 0.053 nan 8.280 nan 0.000 0.520 2314 I N -1.136 119.531 120.570 0.162 0.000 2.617 2314 I HA 0.051 4.221 4.170 -0.001 0.000 0.256 2314 I C 1.635 177.775 176.117 0.039 0.000 1.167 2314 I CA 0.857 62.221 61.300 0.106 0.000 1.469 2314 I CB 0.198 38.256 38.000 0.096 0.000 1.098 2314 I HN 0.564 nan 8.210 nan 0.000 0.436 2315 G N 1.331 110.147 108.800 0.026 0.000 2.134 2315 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.209 2315 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.209 2315 G C 0.774 175.682 174.900 0.013 0.000 0.993 2315 G CA 0.450 45.555 45.100 0.008 0.000 0.669 2315 G HN 0.377 nan 8.290 nan 0.000 0.519 2316 T N -1.670 112.895 114.554 0.019 0.000 3.086 2316 T HA 0.317 4.667 4.350 -0.001 0.000 0.250 2316 T C 2.458 177.165 174.700 0.012 0.000 1.074 2316 T CA 1.371 63.480 62.100 0.014 0.000 0.988 2316 T CB 0.188 69.064 68.868 0.013 0.000 0.988 2316 T HN 1.150 nan 8.240 nan 0.000 0.530 2317 S N 1.868 117.576 115.700 0.015 0.000 2.419 2317 S HA -0.035 4.435 4.470 -0.001 0.000 0.233 2317 S C 1.762 176.369 174.600 0.011 0.000 1.016 2317 S CA 0.560 58.769 58.200 0.014 0.000 0.974 2317 S CB -0.430 62.780 63.200 0.018 0.000 0.786 2317 S HN 0.554 nan 8.310 nan 0.000 0.492 2318 K N 0.451 120.856 120.400 0.009 0.000 2.404 2318 K HA 0.353 4.673 4.320 -0.001 0.000 0.194 2318 K C -0.171 176.434 176.600 0.007 0.000 1.023 2318 K CA -0.187 56.105 56.287 0.008 0.000 1.094 2318 K CB -0.004 32.500 32.500 0.006 0.000 0.841 2318 K HN 0.397 nan 8.250 nan 0.000 0.523 2319 L N 2.139 123.366 121.223 0.007 0.000 2.455 2319 L HA 0.046 4.386 4.340 -0.001 0.000 0.272 2319 L C -1.598 175.276 176.870 0.007 0.000 1.174 2319 L CA -1.445 53.399 54.840 0.006 0.000 0.869 2319 L CB 0.398 42.461 42.059 0.005 0.000 1.130 2319 L HN -0.123 nan 8.230 nan 0.000 0.474 2320 P HA -0.157 nan 4.420 nan 0.000 0.216 2320 P C 1.539 178.844 177.300 0.008 0.000 1.153 2320 P CA 1.252 64.357 63.100 0.008 0.000 0.858 2320 P CB 0.175 31.880 31.700 0.007 0.000 0.789 2321 T N -0.762 113.795 114.554 0.006 0.000 2.684 2321 T HA -0.113 4.237 4.350 -0.001 0.000 0.267 2321 T C 1.817 176.519 174.700 0.004 0.000 1.036 2321 T CA 1.422 63.525 62.100 0.006 0.000 1.148 2321 T CB -0.947 67.924 68.868 0.004 0.000 0.863 2321 T HN -0.125 nan 8.240 nan 0.000 0.436 2322 V N 2.081 121.996 119.914 0.002 0.000 2.270 2322 V HA -0.176 3.943 4.120 -0.001 0.000 0.245 2322 V C 2.813 178.910 176.094 0.005 0.000 1.043 2322 V CA 2.065 64.365 62.300 -0.000 0.000 1.014 2322 V CB -1.004 30.820 31.823 0.001 0.000 0.645 2322 V HN 0.662 nan 8.190 nan 0.000 0.447 2323 S N 1.349 117.054 115.700 0.009 0.000 2.383 2323 S HA -0.203 4.266 4.470 -0.001 0.000 0.229 2323 S C 2.097 176.707 174.600 0.017 0.000 1.030 2323 S CA 1.461 59.669 58.200 0.014 0.000 1.002 2323 S CB -0.691 62.518 63.200 0.014 0.000 0.829 2323 S HN 0.593 nan 8.310 nan 0.000 0.467 2324 A N 2.199 125.028 122.820 0.015 0.000 1.933 2324 A HA -0.024 4.296 4.320 -0.001 0.000 0.218 2324 A C 2.405 180.001 177.584 0.020 0.000 1.175 2324 A CA 1.326 53.374 52.037 0.018 0.000 0.628 2324 A CB -0.554 18.456 19.000 0.016 0.000 0.814 2324 A HN 0.584 nan 8.150 nan 0.000 0.444 2325 R N -0.866 119.642 120.500 0.013 0.000 2.090 2325 R HA -0.017 4.323 4.340 -0.001 0.000 0.228 2325 R C 1.947 178.255 176.300 0.013 0.000 1.110 2325 R CA 1.198 57.303 56.100 0.009 0.000 0.973 2325 R CB -0.394 29.901 30.300 -0.007 0.000 0.869 2325 R HN 0.381 nan 8.270 nan 0.000 0.440 2326 V N 1.139 121.062 119.914 0.016 0.000 2.490 2326 V HA -0.231 3.889 4.120 -0.001 0.000 0.250 2326 V C 2.399 178.519 176.094 0.044 0.000 1.061 2326 V CA 1.893 64.209 62.300 0.026 0.000 1.064 2326 V CB -0.630 31.207 31.823 0.023 0.000 0.670 2326 V HN 0.383 nan 8.190 nan 0.000 0.461 2327 A N -0.192 122.653 122.820 0.042 0.000 1.972 2327 A HA -0.243 4.077 4.320 -0.001 0.000 0.219 2327 A C 2.292 179.920 177.584 0.073 0.000 1.169 2327 A CA 1.924 53.993 52.037 0.054 0.000 0.635 2327 A CB -0.392 18.634 19.000 0.043 0.000 0.810 2327 A HN 0.558 nan 8.150 nan 0.000 0.446 2328 K N -0.387 120.051 120.400 0.064 0.000 2.097 2328 K HA 0.010 4.330 4.320 -0.001 0.000 0.205 2328 K C 1.788 178.461 176.600 0.121 0.000 1.050 2328 K CA 1.245 57.579 56.287 0.077 0.000 0.938 2328 K CB -0.328 32.195 32.500 0.039 0.000 0.718 2328 K HN 0.482 nan 8.250 nan 0.000 0.442 2329 L N 0.416 121.702 121.223 0.105 0.000 2.056 2329 L HA -0.175 4.164 4.340 -0.001 0.000 0.207 2329 L C 2.315 179.322 176.870 0.229 0.000 1.078 2329 L CA 0.857 55.792 54.840 0.158 0.000 0.749 2329 L CB -0.577 41.541 42.059 0.098 0.000 0.901 2329 L HN -0.023 nan 8.230 nan 0.000 0.433 2330 V N 0.340 120.351 119.914 0.163 0.000 2.287 2330 V HA -0.319 3.800 4.120 -0.001 0.000 0.248 2330 V C 2.833 179.052 176.094 0.208 0.000 1.053 2330 V CA 1.862 64.266 62.300 0.173 0.000 1.027 2330 V CB -0.999 30.893 31.823 0.114 0.000 0.646 2330 V HN 0.485 nan 8.190 nan 0.000 0.447 2331 A N -0.175 122.752 122.820 0.180 0.000 1.873 2331 A HA -0.295 4.024 4.320 -0.001 0.000 0.218 2331 A C 2.133 179.852 177.584 0.225 0.000 1.193 2331 A CA 2.313 54.452 52.037 0.170 0.000 0.629 2331 A CB -0.854 18.238 19.000 0.153 0.000 0.826 2331 A HN 0.514 nan 8.150 nan 0.000 0.447 2332 F N 0.476 120.503 119.950 0.128 0.000 2.091 2332 F HA -0.262 4.265 4.527 -0.001 0.000 0.299 2332 F C 2.216 178.118 175.800 0.170 0.000 1.103 2332 F CA 2.435 60.529 58.000 0.157 0.000 1.228 2332 F CB -0.867 38.203 39.000 0.116 0.000 0.984 2332 F HN 0.565 nan 8.300 nan 0.000 0.477 2333 H N -0.050 119.041 119.070 0.035 0.000 2.293 2333 H HA -0.140 4.416 4.556 -0.001 0.000 0.300 2333 H C 2.144 177.434 175.328 -0.064 0.000 1.082 2333 H CA 2.538 58.547 56.048 -0.065 0.000 1.308 2333 H CB -0.617 29.171 29.762 0.044 0.000 1.375 2333 H HN 0.359 nan 8.280 nan 0.000 0.495 2334 L N -0.163 120.986 121.223 -0.124 0.000 2.127 2334 L HA -0.147 4.193 4.340 -0.001 0.000 0.211 2334 L C 2.812 179.584 176.870 -0.162 0.000 1.089 2334 L CA 0.937 55.681 54.840 -0.162 0.000 0.757 2334 L CB -0.629 41.432 42.059 0.003 0.000 0.899 2334 L HN 0.499 nan 8.230 nan 0.000 0.434 2335 A N -0.503 122.242 122.820 -0.125 0.000 1.897 2335 A HA -0.159 4.161 4.320 -0.001 0.000 0.215 2335 A C 2.306 179.821 177.584 -0.116 0.000 1.181 2335 A CA 1.185 53.145 52.037 -0.130 0.000 0.620 2335 A CB -0.267 18.648 19.000 -0.143 0.000 0.821 2335 A HN 0.208 nan 8.150 nan 0.000 0.443 2336 M N -0.498 118.956 119.600 -0.244 0.000 2.086 2336 M HA -0.177 4.303 4.480 -0.001 0.000 0.261 2336 M C 2.311 178.537 176.300 -0.124 0.000 1.067 2336 M CA 1.909 57.094 55.300 -0.192 0.000 1.116 2336 M CB -1.517 30.905 32.600 -0.295 0.000 1.348 2336 M HN 0.684 nan 8.290 nan 0.000 0.407 2337 Q N -0.239 119.404 119.800 -0.263 0.000 2.135 2337 Q HA -0.135 4.205 4.340 -0.001 0.000 0.204 2337 Q C 1.929 177.872 176.000 -0.096 0.000 0.981 2337 Q CA 1.880 57.551 55.803 -0.220 0.000 0.856 2337 Q CB 0.010 28.511 28.738 -0.396 0.000 0.902 2337 Q HN 0.503 nan 8.270 nan 0.000 0.425 2338 A N 0.075 122.838 122.820 -0.095 0.000 1.929 2338 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 2338 A C 1.757 179.295 177.584 -0.076 0.000 1.176 2338 A CA 1.226 53.209 52.037 -0.090 0.000 0.628 2338 A CB -0.762 18.157 19.000 -0.135 0.000 0.816 2338 A HN 0.493 nan 8.150 nan 0.000 0.444 2339 H N -1.114 117.924 119.070 -0.053 0.000 2.353 2339 H HA -0.123 4.432 4.556 -0.001 0.000 0.300 2339 H C 2.136 177.505 175.328 0.068 0.000 1.090 2339 H CA 1.830 57.885 56.048 0.011 0.000 1.327 2339 H CB -0.244 29.531 29.762 0.022 0.000 1.383 2339 H HN 0.429 nan 8.280 nan 0.000 0.508 2340 L N 1.108 122.431 121.223 0.167 0.000 1.994 2340 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 2340 L C 2.366 179.328 176.870 0.153 0.000 1.071 2340 L CA 1.413 56.346 54.840 0.155 0.000 0.745 2340 L CB -0.721 41.372 42.059 0.057 0.000 0.892 2340 L HN 0.132 nan 8.230 nan 0.000 0.431 2341 I N -0.552 120.068 120.570 0.083 0.000 2.202 2341 I HA -0.270 3.900 4.170 -0.001 0.000 0.242 2341 I C 2.578 178.739 176.117 0.073 0.000 1.091 2341 I CA 1.150 62.494 61.300 0.073 0.000 1.368 2341 I CB -0.700 37.318 38.000 0.029 0.000 1.058 2341 I HN 0.363 nan 8.210 nan 0.000 0.410 2342 A N 0.841 123.686 122.820 0.042 0.000 1.933 2342 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 2342 A C 2.515 180.140 177.584 0.068 0.000 1.175 2342 A CA 2.231 54.283 52.037 0.026 0.000 0.628 2342 A CB -0.821 18.156 19.000 -0.038 0.000 0.814 2342 A HN 0.542 nan 8.150 nan 0.000 0.444 2343 S N 0.012 115.785 115.700 0.122 0.000 2.383 2343 S HA -0.188 4.282 4.470 -0.001 0.000 0.227 2343 S C 1.607 176.290 174.600 0.138 0.000 1.026 2343 S CA 1.437 59.732 58.200 0.158 0.000 0.981 2343 S CB -0.531 62.854 63.200 0.308 0.000 0.818 2343 S HN 0.665 nan 8.310 nan 0.000 0.472 2344 E N 0.545 120.845 120.200 0.166 0.000 2.268 2344 E HA -0.051 4.299 4.350 -0.001 0.000 0.195 2344 E C 1.805 178.534 176.600 0.215 0.000 0.995 2344 E CA 0.975 57.483 56.400 0.181 0.000 0.836 2344 E CB -0.049 29.773 29.700 0.204 0.000 0.763 2344 E HN 0.524 nan 8.360 nan 0.000 0.491 2345 E N -0.232 120.057 120.200 0.147 0.000 2.400 2345 E HA -0.027 4.322 4.350 -0.001 0.000 0.195 2345 E C 0.864 177.548 176.600 0.141 0.000 1.012 2345 E CA 0.743 57.221 56.400 0.130 0.000 0.875 2345 E CB 0.550 30.293 29.700 0.071 0.000 0.859 2345 E HN 0.173 nan 8.360 nan 0.000 0.498 2346 T N -2.394 112.227 114.554 0.112 0.000 3.308 2346 T HA 0.522 4.871 4.350 -0.001 0.000 0.270 2346 T C 0.701 175.436 174.700 0.059 0.000 0.992 2346 T CA -0.240 61.908 62.100 0.081 0.000 0.931 2346 T CB 0.417 69.308 68.868 0.038 0.000 1.142 2346 T HN 0.047 nan 8.240 nan 0.000 0.525 2347 G N 1.298 110.111 108.800 0.023 0.000 2.535 2347 G HA2 0.649 4.608 3.960 -0.001 0.000 0.282 2347 G HA3 0.649 4.608 3.960 -0.001 0.000 0.282 2347 G C -0.595 174.192 174.900 -0.188 0.000 1.350 2347 G CA -1.063 43.842 45.100 -0.325 0.000 1.039 2347 G HN 0.616 nan 8.290 nan 0.000 0.509 2348 F N -3.607 115.996 119.950 -0.578 0.000 2.726 2348 F HA 0.706 5.233 4.527 -0.001 0.000 0.324 2348 F C -1.006 174.564 175.800 -0.383 0.000 1.140 2348 F CA -1.533 56.283 58.000 -0.306 0.000 0.964 2348 F CB 1.242 40.149 39.000 -0.154 0.000 1.399 2348 F HN 0.441 nan 8.300 nan 0.000 0.491 2349 H N 0.091 119.221 119.070 0.101 0.000 2.459 2349 H HA 0.464 5.019 4.556 -0.001 0.000 0.332 2349 H C 0.013 175.415 175.328 0.124 0.000 1.094 2349 H CA -0.282 55.790 56.048 0.040 0.000 1.224 2349 H CB 1.730 31.579 29.762 0.145 0.000 1.449 2349 H HN 0.880 nan 8.280 nan 0.000 0.484 2350 T N -0.207 114.433 114.554 0.144 0.000 2.726 2350 T HA 0.062 4.411 4.350 -0.001 0.000 0.294 2350 T C 1.438 176.261 174.700 0.205 0.000 1.013 2350 T CA -0.730 61.487 62.100 0.196 0.000 0.996 2350 T CB 0.852 69.812 68.868 0.153 0.000 1.016 2350 T HN 0.597 nan 8.240 nan 0.000 0.529 2351 K N 0.687 121.196 120.400 0.182 0.000 2.074 2351 K HA -0.079 4.241 4.320 -0.001 0.000 0.209 2351 K C 2.306 178.991 176.600 0.142 0.000 1.048 2351 K CA 1.550 57.930 56.287 0.155 0.000 0.926 2351 K CB -0.873 31.720 32.500 0.154 0.000 0.713 2351 K HN 0.843 nan 8.250 nan 0.000 0.444 2352 G N -0.263 108.627 108.800 0.151 0.000 2.776 2352 G HA2 0.026 3.985 3.960 -0.001 0.000 0.209 2352 G HA3 0.026 3.985 3.960 -0.001 0.000 0.209 2352 G C 0.844 175.825 174.900 0.134 0.000 1.145 2352 G CA 0.571 45.752 45.100 0.136 0.000 0.791 2352 G HN 0.449 nan 8.290 nan 0.000 0.530 2353 G N -0.496 108.395 108.800 0.152 0.000 2.143 2353 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.249 2353 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.249 2353 G C 0.510 175.573 174.900 0.272 0.000 0.981 2353 G CA 0.081 45.273 45.100 0.154 0.000 0.665 2353 G HN 0.657 nan 8.290 nan 0.000 0.528 2354 R N -0.665 119.991 120.500 0.260 0.000 2.390 2354 R HA 0.443 4.782 4.340 -0.001 0.000 0.291 2354 R C -0.166 176.295 176.300 0.268 0.000 1.070 2354 R CA -0.654 55.619 56.100 0.289 0.000 1.014 2354 R CB 0.698 31.167 30.300 0.282 0.000 1.007 2354 R HN 0.296 nan 8.270 nan 0.000 0.466 2355 Y N 2.650 123.017 120.300 0.112 0.000 2.404 2355 Y HA 0.167 4.717 4.550 -0.001 0.000 0.344 2355 Y C -0.259 175.549 175.900 -0.154 0.000 0.995 2355 Y CA -0.083 57.899 58.100 -0.195 0.000 1.201 2355 Y CB 0.538 38.888 38.460 -0.183 0.000 1.151 2355 Y HN 0.342 nan 8.280 nan 0.000 0.517 2356 K N 8.498 128.294 120.400 -1.005 0.000 2.182 2356 K HA 0.452 4.772 4.320 -0.001 0.000 0.262 2356 K C -2.670 173.284 176.600 -1.076 0.000 0.957 2356 K CA -2.358 53.290 56.287 -1.065 0.000 0.842 2356 K CB 1.325 33.030 32.500 -1.325 0.000 1.099 2356 K HN 0.390 nan 8.250 nan 0.000 0.438 2357 P HA 0.003 nan 4.420 nan 0.000 0.272 2357 P C -1.119 176.133 177.300 -0.080 0.000 1.230 2357 P CA -0.347 62.525 63.100 -0.380 0.000 0.788 2357 P CB 0.395 31.862 31.700 -0.389 0.000 0.949 2358 N N 2.062 120.764 118.700 0.003 0.000 2.427 2358 N HA 0.029 4.769 4.740 -0.001 0.000 0.269 2358 N C -1.496 173.833 175.510 -0.300 0.000 1.235 2358 N CA -1.273 51.762 53.050 -0.026 0.000 0.934 2358 N CB 0.365 38.848 38.487 -0.006 0.000 1.121 2358 N HN 0.238 nan 8.380 nan 0.000 0.480 2359 P HA -0.121 nan 4.420 nan 0.000 0.217 2359 P C 1.356 178.273 177.300 -0.638 0.000 1.151 2359 P CA 0.355 62.811 63.100 -1.073 0.000 0.828 2359 P CB 0.199 31.668 31.700 -0.385 0.000 0.788 2360 L N -0.482 120.598 121.223 -0.239 0.000 2.042 2360 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 2360 L C 2.164 179.114 176.870 0.134 0.000 1.076 2360 L CA 1.920 56.770 54.840 0.017 0.000 0.749 2360 L CB -1.072 41.016 42.059 0.049 0.000 0.893 2360 L HN -0.138 nan 8.230 nan 0.000 0.432 2361 I N -1.406 119.179 120.570 0.024 0.000 2.277 2361 I HA -0.252 3.917 4.170 -0.001 0.000 0.243 2361 I C 2.422 178.702 176.117 0.271 0.000 1.094 2361 I CA 1.334 62.735 61.300 0.168 0.000 1.393 2361 I CB -0.674 37.392 38.000 0.109 0.000 1.078 2361 I HN 0.404 nan 8.210 nan 0.000 0.417 2362 Y N 0.538 120.965 120.300 0.211 0.000 2.373 2362 Y HA -0.045 4.505 4.550 -0.001 0.000 0.293 2362 Y C 1.816 177.782 175.900 0.110 0.000 1.129 2362 Y CA 0.391 58.596 58.100 0.176 0.000 1.226 2362 Y CB -1.274 37.303 38.460 0.195 0.000 1.000 2362 Y HN 0.070 nan 8.280 nan 0.000 0.549 2363 D N 0.392 120.845 120.400 0.088 0.000 2.144 2363 D HA -0.129 4.510 4.640 -0.001 0.000 0.200 2363 D C 1.699 177.975 176.300 -0.041 0.000 0.978 2363 D CA 1.285 55.297 54.000 0.019 0.000 0.833 2363 D CB -0.480 40.240 40.800 -0.133 0.000 0.961 2363 D HN 0.416 nan 8.370 nan 0.000 0.470 2364 F N 1.118 121.085 119.950 0.028 0.000 2.259 2364 F HA 0.035 4.562 4.527 -0.001 0.000 0.298 2364 F C 2.499 178.228 175.800 -0.119 0.000 1.088 2364 F CA 0.955 58.973 58.000 0.031 0.000 1.358 2364 F CB -0.462 38.609 39.000 0.118 0.000 1.040 2364 F HN -0.019 nan 8.300 nan 0.000 0.505 2365 G N -0.026 108.767 108.800 -0.012 0.000 2.440 2365 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.218 2365 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.218 2365 G C 1.852 176.718 174.900 -0.057 0.000 1.154 2365 G CA 0.629 45.532 45.100 -0.328 0.000 0.767 2365 G HN 0.232 nan 8.290 nan 0.000 0.552 2366 R N 0.455 120.975 120.500 0.033 0.000 2.075 2366 R HA 0.059 4.399 4.340 -0.001 0.000 0.232 2366 R C 3.048 179.399 176.300 0.085 0.000 1.126 2366 R CA 1.030 57.160 56.100 0.050 0.000 0.963 2366 R CB -0.407 29.891 30.300 -0.003 0.000 0.858 2366 R HN 0.349 nan 8.270 nan 0.000 0.435 2367 A N 0.548 123.380 122.820 0.019 0.000 1.908 2367 A HA -0.256 4.064 4.320 -0.001 0.000 0.218 2367 A C 1.902 179.548 177.584 0.103 0.000 1.181 2367 A CA 1.843 53.892 52.037 0.020 0.000 0.627 2367 A CB -0.755 18.205 19.000 -0.066 0.000 0.818 2367 A HN 0.416 nan 8.150 nan 0.000 0.445 2368 H N -2.067 117.025 119.070 0.037 0.000 2.352 2368 H HA -0.146 4.410 4.556 -0.001 0.000 0.299 2368 H C 1.676 177.126 175.328 0.203 0.000 1.097 2368 H CA 2.162 58.255 56.048 0.076 0.000 1.311 2368 H CB -0.278 29.453 29.762 -0.053 0.000 1.377 2368 H HN 0.510 nan 8.280 nan 0.000 0.504 2369 F N 0.306 120.370 119.950 0.190 0.000 2.113 2369 F HA -0.143 4.384 4.527 -0.001 0.000 0.297 2369 F C 1.984 177.886 175.800 0.171 0.000 1.103 2369 F CA 1.303 59.469 58.000 0.276 0.000 1.248 2369 F CB -0.245 38.859 39.000 0.174 0.000 0.999 2369 F HN 0.110 nan 8.300 nan 0.000 0.475 2370 L N -0.097 121.320 121.223 0.323 0.000 2.083 2370 L HA -0.247 4.092 4.340 -0.001 0.000 0.209 2370 L C 2.288 179.153 176.870 -0.009 0.000 1.083 2370 L CA 1.412 56.355 54.840 0.171 0.000 0.752 2370 L CB -0.804 41.327 42.059 0.121 0.000 0.899 2370 L HN 0.273 nan 8.230 nan 0.000 0.433 2371 Q N -0.354 119.419 119.800 -0.046 0.000 2.389 2371 Q HA -0.071 4.269 4.340 -0.001 0.000 0.204 2371 Q C 1.008 176.888 176.000 -0.200 0.000 0.944 2371 Q CA 1.010 56.745 55.803 -0.114 0.000 0.908 2371 Q CB 0.066 28.742 28.738 -0.103 0.000 1.002 2371 Q HN 0.622 nan 8.270 nan 0.000 0.493 2372 N N -0.235 118.308 118.700 -0.263 0.000 2.181 2372 N HA -0.053 4.687 4.740 -0.001 0.000 0.207 2372 N C 1.300 176.448 175.510 -0.603 0.000 1.182 2372 N CA -0.011 52.797 53.050 -0.405 0.000 0.893 2372 N CB 0.429 38.672 38.487 -0.406 0.000 1.032 2372 N HN 0.211 nan 8.380 nan 0.000 0.513 2373 Q N 0.552 120.013 119.800 -0.564 0.000 2.152 2373 Q HA -0.179 4.161 4.340 -0.001 0.000 0.206 2373 Q C 1.430 177.175 176.000 -0.425 0.000 0.985 2373 Q CA 1.271 56.715 55.803 -0.599 0.000 0.863 2373 Q CB -0.233 28.236 28.738 -0.448 0.000 0.904 2373 Q HN 0.235 nan 8.270 nan 0.000 0.422 2374 M N 1.261 120.642 119.600 -0.364 0.000 2.086 2374 M HA -0.134 4.345 4.480 -0.001 0.000 0.261 2374 M C 2.487 178.624 176.300 -0.270 0.000 1.067 2374 M CA 1.855 56.963 55.300 -0.320 0.000 1.116 2374 M CB -1.341 31.090 32.600 -0.281 0.000 1.348 2374 M HN 0.446 nan 8.290 nan 0.000 0.407 2375 S N 0.746 116.270 115.700 -0.293 0.000 2.359 2375 S HA -0.130 4.340 4.470 -0.001 0.000 0.222 2375 S C 2.006 176.475 174.600 -0.219 0.000 1.038 2375 S CA 2.472 60.529 58.200 -0.239 0.000 1.051 2375 S CB -0.654 62.385 63.200 -0.268 0.000 0.944 2375 S HN 0.375 nan 8.310 nan 0.000 0.433 2376 V N 0.714 120.391 119.914 -0.395 0.000 2.427 2376 V HA -0.062 4.058 4.120 -0.001 0.000 0.248 2376 V C 2.385 178.301 176.094 -0.296 0.000 1.051 2376 V CA 2.196 64.277 62.300 -0.365 0.000 1.048 2376 V CB -1.022 30.454 31.823 -0.579 0.000 0.666 2376 V HN 0.703 nan 8.190 nan 0.000 0.456 2377 M N -0.277 119.112 119.600 -0.351 0.000 2.080 2377 M HA -0.218 4.262 4.480 -0.001 0.000 0.260 2377 M C 2.304 178.388 176.300 -0.360 0.000 1.068 2377 M CA 2.801 57.784 55.300 -0.529 0.000 1.109 2377 M CB -0.565 31.754 32.600 -0.468 0.000 1.342 2377 M HN 0.582 nan 8.290 nan 0.000 0.405 2378 Y N 0.871 120.986 120.300 -0.307 0.000 2.224 2378 Y HA -0.249 4.300 4.550 -0.000 0.000 0.289 2378 Y C 2.016 177.812 175.900 -0.173 0.000 1.146 2378 Y CA 2.283 60.256 58.100 -0.211 0.000 1.182 2378 Y CB -0.231 38.123 38.460 -0.176 0.000 0.983 2378 Y HN 0.377 nan 8.280 nan 0.000 0.524 2379 E N 0.390 120.477 120.200 -0.188 0.000 2.072 2379 E HA -0.158 4.192 4.350 -0.001 0.000 0.190 2379 E C 2.275 178.737 176.600 -0.230 0.000 0.982 2379 E CA 1.162 57.431 56.400 -0.219 0.000 0.803 2379 E CB -0.527 29.117 29.700 -0.093 0.000 0.755 2379 E HN 0.552 nan 8.360 nan 0.000 0.453 2380 L N 0.209 121.305 121.223 -0.212 0.000 2.017 2380 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 2380 L C 2.156 178.921 176.870 -0.175 0.000 1.073 2380 L CA 1.298 56.039 54.840 -0.164 0.000 0.745 2380 L CB -0.277 41.680 42.059 -0.171 0.000 0.894 2380 L HN 0.289 nan 8.230 nan 0.000 0.432 2381 L N -0.537 120.539 121.223 -0.245 0.000 2.083 2381 L HA -0.273 4.067 4.340 -0.001 0.000 0.209 2381 L C 2.091 178.834 176.870 -0.212 0.000 1.083 2381 L CA 1.552 56.276 54.840 -0.194 0.000 0.752 2381 L CB -0.511 41.433 42.059 -0.191 0.000 0.899 2381 L HN 0.320 nan 8.230 nan 0.000 0.433 2382 D N -0.432 119.764 120.400 -0.340 0.000 2.117 2382 D HA -0.145 4.495 4.640 -0.001 0.000 0.198 2382 D C 2.058 178.252 176.300 -0.175 0.000 0.982 2382 D CA 0.744 54.550 54.000 -0.323 0.000 0.828 2382 D CB 0.179 40.675 40.800 -0.508 0.000 0.967 2382 D HN -0.006 nan 8.370 nan 0.000 0.464 2383 L N 0.252 121.387 121.223 -0.147 0.000 2.141 2383 L HA 0.060 4.400 4.340 -0.001 0.000 0.209 2383 L C 2.206 179.047 176.870 -0.047 0.000 1.094 2383 L CA 1.172 55.965 54.840 -0.079 0.000 0.763 2383 L CB -1.056 40.966 42.059 -0.061 0.000 0.908 2383 L HN 0.018 nan 8.230 nan 0.000 0.437 2384 A N -1.428 121.361 122.820 -0.052 0.000 2.016 2384 A HA 0.365 4.684 4.320 -0.001 0.000 0.217 2384 A C 1.717 179.293 177.584 -0.013 0.000 1.162 2384 A CA 1.018 53.042 52.037 -0.021 0.000 0.662 2384 A CB -0.713 18.280 19.000 -0.012 0.000 0.812 2384 A HN 0.474 nan 8.150 nan 0.000 0.450 2385 G N 0.575 109.357 108.800 -0.030 0.000 2.574 2385 G HA2 -0.411 3.548 3.960 -0.001 0.000 0.286 2385 G HA3 -0.411 3.548 3.960 -0.001 0.000 0.286 2385 G C 1.028 175.930 174.900 0.003 0.000 1.212 2385 G CA 0.898 45.989 45.100 -0.016 0.000 0.979 2385 G HN 1.048 nan 8.290 nan 0.000 0.557 2386 R N 0.678 121.189 120.500 0.019 0.000 2.280 2386 R HA 0.112 4.452 4.340 -0.001 0.000 0.207 2386 R C 2.192 178.515 176.300 0.039 0.000 1.043 2386 R CA 1.954 58.073 56.100 0.032 0.000 1.006 2386 R CB -0.689 29.637 30.300 0.043 0.000 0.885 2386 R HN 0.405 nan 8.270 nan 0.000 0.467 2387 S N 1.462 117.182 115.700 0.033 0.000 2.465 2387 S HA -0.102 4.367 4.470 -0.001 0.000 0.241 2387 S C 1.690 176.301 174.600 0.018 0.000 1.000 2387 S CA 1.526 59.742 58.200 0.027 0.000 0.964 2387 S CB -0.080 63.128 63.200 0.014 0.000 0.763 2387 S HN 0.682 nan 8.310 nan 0.000 0.512 2388 S N -0.303 115.413 115.700 0.026 0.000 2.556 2388 S HA 0.303 4.772 4.470 -0.001 0.000 0.216 2388 S C 1.178 175.804 174.600 0.044 0.000 0.970 2388 S CA -0.282 57.940 58.200 0.037 0.000 0.912 2388 S CB 0.108 63.341 63.200 0.055 0.000 0.790 2388 S HN 0.345 nan 8.310 nan 0.000 0.504 2389 L N 0.021 121.269 121.223 0.041 0.000 2.675 2389 L HA 0.565 4.905 4.340 -0.001 0.000 0.178 2389 L C 0.368 177.266 176.870 0.046 0.000 1.135 2389 L CA 0.699 55.567 54.840 0.046 0.000 0.855 2389 L CB 0.039 42.126 42.059 0.046 0.000 1.235 2389 L HN 0.138 nan 8.230 nan 0.000 0.499 2390 M N 2.589 122.222 119.600 0.055 0.000 3.596 2390 M HA 0.285 4.764 4.480 -0.001 0.000 0.219 2390 M C -0.805 175.543 176.300 0.079 0.000 1.471 2390 M CA 0.243 55.588 55.300 0.075 0.000 1.644 2390 M CB -1.229 31.426 32.600 0.092 0.000 1.083 2390 M HN 0.108 nan 8.290 nan 0.000 0.579 2391 I N 3.541 124.134 120.570 0.039 0.000 2.304 2391 I HA 0.270 4.439 4.170 -0.001 0.000 0.291 2391 I C -1.815 174.289 176.117 -0.021 0.000 1.018 2391 I CA -1.874 59.428 61.300 0.004 0.000 1.260 2391 I CB 1.056 39.026 38.000 -0.050 0.000 1.390 2391 I HN 0.222 nan 8.210 nan 0.000 0.475 2392 P HA 0.129 nan 4.420 nan 0.000 0.276 2392 P C -0.103 177.091 177.300 -0.177 0.000 1.235 2392 P CA -0.366 62.614 63.100 -0.200 0.000 0.772 2392 P CB 0.733 32.182 31.700 -0.418 0.000 0.871 2393 S N 1.970 117.572 115.700 -0.164 0.000 2.606 2393 S HA 0.057 4.527 4.470 -0.001 0.000 0.257 2393 S C 1.199 175.738 174.600 -0.101 0.000 1.327 2393 S CA -0.314 57.812 58.200 -0.122 0.000 0.984 2393 S CB 0.550 63.704 63.200 -0.078 0.000 0.941 2393 S HN 0.384 nan 8.310 nan 0.000 0.576 2394 E N 1.251 121.403 120.200 -0.080 0.000 2.077 2394 E HA -0.062 4.287 4.350 -0.001 0.000 0.193 2394 E C 2.243 178.863 176.600 0.033 0.000 0.989 2394 E CA 1.464 57.844 56.400 -0.034 0.000 0.800 2394 E CB -1.220 28.448 29.700 -0.053 0.000 0.746 2394 E HN 0.884 nan 8.360 nan 0.000 0.452 2395 G N 1.226 110.031 108.800 0.008 0.000 2.440 2395 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.218 2395 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.218 2395 G C 1.537 176.459 174.900 0.037 0.000 1.154 2395 G CA 0.767 45.884 45.100 0.027 0.000 0.767 2395 G HN 0.285 nan 8.290 nan 0.000 0.552 2396 Q N -1.194 118.593 119.800 -0.021 0.000 2.083 2396 Q HA -0.058 4.281 4.340 -0.001 0.000 0.198 2396 Q C 2.261 178.212 176.000 -0.081 0.000 0.969 2396 Q CA 0.786 56.548 55.803 -0.069 0.000 0.838 2396 Q CB -0.241 28.322 28.738 -0.292 0.000 0.900 2396 Q HN 0.675 nan 8.270 nan 0.000 0.436 2397 W N 2.233 123.343 121.300 -0.317 0.000 2.355 2397 W HA -0.173 4.487 4.660 -0.001 0.000 0.309 2397 W C 0.394 176.920 176.519 0.011 0.000 1.206 2397 W CA 1.428 58.682 57.345 -0.152 0.000 1.284 2397 W CB 0.043 29.410 29.460 -0.155 0.000 1.145 2397 W HN 0.158 nan 8.180 nan 0.000 0.502 2398 D N 0.477 121.023 120.400 0.244 0.000 2.349 2398 D HA -0.051 4.589 4.640 -0.001 0.000 0.224 2398 D C -0.316 176.038 176.300 0.089 0.000 1.029 2398 D CA 0.688 54.786 54.000 0.164 0.000 0.879 2398 D CB -0.611 40.275 40.800 0.143 0.000 0.906 2398 D HN 0.113 nan 8.370 nan 0.000 0.528 2399 D N -0.273 120.183 120.400 0.092 0.000 2.424 2399 D HA -0.034 4.606 4.640 -0.001 0.000 0.244 2399 D C 1.400 177.732 176.300 0.054 0.000 1.134 2399 D CA 0.131 54.182 54.000 0.086 0.000 0.881 2399 D CB 1.141 42.021 40.800 0.133 0.000 1.191 2399 D HN -0.230 nan 8.370 nan 0.000 0.445 2400 S N 2.711 118.435 115.700 0.039 0.000 2.356 2400 S HA -0.243 4.227 4.470 -0.001 0.000 0.223 2400 S C 1.638 176.241 174.600 0.004 0.000 1.032 2400 S CA 1.664 59.872 58.200 0.014 0.000 1.005 2400 S CB -0.212 62.997 63.200 0.015 0.000 0.867 2400 S HN 0.697 nan 8.310 nan 0.000 0.449 2401 Q N -0.489 119.330 119.800 0.031 0.000 2.096 2401 Q HA 0.051 4.391 4.340 -0.001 0.000 0.197 2401 Q C 1.516 177.545 176.000 0.048 0.000 0.964 2401 Q CA 1.521 57.345 55.803 0.035 0.000 0.838 2401 Q CB -0.032 28.742 28.738 0.061 0.000 0.906 2401 Q HN 0.581 nan 8.270 nan 0.000 0.444 2402 S N -0.917 114.848 115.700 0.107 0.000 2.526 2402 S HA 0.161 4.631 4.470 -0.001 0.000 0.220 2402 S C 1.440 176.120 174.600 0.133 0.000 1.017 2402 S CA 0.233 58.555 58.200 0.203 0.000 0.930 2402 S CB 0.857 64.218 63.200 0.268 0.000 0.856 2402 S HN 0.583 nan 8.310 nan 0.000 0.497 2403 G N 2.883 111.740 108.800 0.096 0.000 2.503 2403 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.221 2403 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.221 2403 G C 1.337 176.137 174.900 -0.167 0.000 1.131 2403 G CA 1.550 46.673 45.100 0.039 0.000 0.756 2403 G HN 0.662 nan 8.290 nan 0.000 0.572 2404 Q N -0.929 118.715 119.800 -0.261 0.000 2.291 2404 Q HA -0.049 4.290 4.340 -0.001 0.000 0.205 2404 Q C 2.056 177.821 176.000 -0.391 0.000 0.970 2404 Q CA 1.052 56.629 55.803 -0.377 0.000 0.876 2404 Q CB -0.599 27.873 28.738 -0.444 0.000 0.935 2404 Q HN 0.744 nan 8.270 nan 0.000 0.455 2405 W N -0.085 121.052 121.300 -0.272 0.000 2.381 2405 W HA 0.052 4.711 4.660 -0.000 0.000 0.301 2405 W C 1.452 177.735 176.519 -0.393 0.000 1.205 2405 W CA 0.285 57.419 57.345 -0.352 0.000 1.285 2405 W CB -0.214 28.963 29.460 -0.471 0.000 1.133 2405 W HN 0.071 nan 8.180 nan 0.000 0.521 2406 F N -0.388 119.534 119.950 -0.046 0.000 2.171 2406 F HA -0.225 4.302 4.527 -0.001 0.000 0.300 2406 F C 2.212 177.807 175.800 -0.342 0.000 1.090 2406 F CA 0.996 58.893 58.000 -0.172 0.000 1.293 2406 F CB -1.206 37.637 39.000 -0.262 0.000 1.013 2406 F HN -0.341 nan 8.300 nan 0.000 0.486 2407 V N 0.378 120.039 119.914 -0.422 0.000 2.332 2407 V HA -0.313 3.807 4.120 -0.001 0.000 0.248 2407 V C 2.171 178.250 176.094 -0.024 0.000 1.055 2407 V CA 1.885 64.013 62.300 -0.288 0.000 1.038 2407 V CB -0.620 31.030 31.823 -0.287 0.000 0.651 2407 V HN 0.320 nan 8.190 nan 0.000 0.450 2408 K N -0.293 120.088 120.400 -0.031 0.000 2.155 2408 K HA -0.010 4.310 4.320 -0.001 0.000 0.203 2408 K C 2.068 178.721 176.600 0.088 0.000 1.052 2408 K CA 1.026 57.332 56.287 0.032 0.000 0.948 2408 K CB -0.222 32.303 32.500 0.042 0.000 0.728 2408 K HN 0.368 nan 8.250 nan 0.000 0.448 2409 L N 1.121 122.409 121.223 0.108 0.000 2.201 2409 L HA -0.130 4.209 4.340 -0.001 0.000 0.212 2409 L C 1.447 178.422 176.870 0.175 0.000 1.105 2409 L CA 0.856 55.775 54.840 0.132 0.000 0.775 2409 L CB -0.158 41.986 42.059 0.143 0.000 0.913 2409 L HN 0.235 nan 8.230 nan 0.000 0.440 2410 N N -0.768 118.070 118.700 0.230 0.000 2.205 2410 N HA 0.029 4.768 4.740 -0.001 0.000 0.201 2410 N C 0.092 175.788 175.510 0.309 0.000 1.128 2410 N CA 0.023 53.250 53.050 0.296 0.000 0.867 2410 N CB 0.297 39.033 38.487 0.415 0.000 0.996 2410 N HN 0.360 nan 8.380 nan 0.000 0.503 2411 N N 0.275 119.095 118.700 0.200 0.000 2.530 2411 N HA 0.282 5.021 4.740 -0.001 0.000 0.273 2411 N C -0.087 175.454 175.510 0.052 0.000 1.173 2411 N CA -0.095 53.033 53.050 0.130 0.000 0.967 2411 N CB 0.935 39.468 38.487 0.077 0.000 1.109 2411 N HN 0.055 nan 8.380 nan 0.000 0.453 2412 G N 1.684 110.441 108.800 -0.072 0.000 2.921 2412 G HA2 0.351 4.310 3.960 -0.001 0.000 0.291 2412 G HA3 0.351 4.310 3.960 -0.001 0.000 0.291 2412 G C -2.208 172.612 174.900 -0.135 0.000 1.370 2412 G CA -0.731 44.288 45.100 -0.135 0.000 0.847 2412 G HN 0.376 nan 8.290 nan 0.000 0.532 2413 P HA 0.053 nan 4.420 nan 0.000 0.228 2413 P C 0.838 178.086 177.300 -0.088 0.000 1.151 2413 P CA 1.057 64.111 63.100 -0.076 0.000 0.770 2413 P CB 0.215 31.882 31.700 -0.054 0.000 0.786 2414 K N -1.505 118.804 120.400 -0.152 0.000 2.438 2414 K HA 0.350 4.670 4.320 -0.001 0.000 0.205 2414 K C 1.081 177.618 176.600 -0.106 0.000 1.033 2414 K CA 0.296 56.514 56.287 -0.115 0.000 1.089 2414 K CB 0.611 33.046 32.500 -0.107 0.000 0.857 2414 K HN 0.075 nan 8.250 nan 0.000 0.522 2415 G N 2.901 111.630 108.800 -0.117 0.000 2.601 2415 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.261 2415 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.261 2415 G C -0.310 174.596 174.900 0.011 0.000 1.289 2415 G CA -0.092 44.983 45.100 -0.042 0.000 0.920 2415 G HN 0.406 nan 8.290 nan 0.000 0.571 2416 N N -0.873 117.886 118.700 0.099 0.000 2.681 2416 N HA -0.133 4.607 4.740 -0.001 0.000 0.259 2416 N C -1.274 174.429 175.510 0.322 0.000 1.066 2416 N CA 1.181 54.339 53.050 0.181 0.000 0.717 2416 N CB -0.890 37.691 38.487 0.157 0.000 0.885 2416 N HN 0.410 nan 8.380 nan 0.000 0.547 2417 P HA -0.192 nan 4.420 nan 0.000 0.216 2417 P C 1.634 179.114 177.300 0.300 0.000 1.154 2417 P CA 1.091 64.448 63.100 0.427 0.000 0.865 2417 P CB 0.213 32.200 31.700 0.479 0.000 0.789 2418 R N 0.022 120.629 120.500 0.179 0.000 2.133 2418 R HA -0.204 4.136 4.340 -0.001 0.000 0.247 2418 R C 2.060 178.240 176.300 -0.201 0.000 1.151 2418 R CA 1.602 57.592 56.100 -0.183 0.000 0.971 2418 R CB -0.739 29.473 30.300 -0.147 0.000 0.866 2418 R HN 0.425 nan 8.270 nan 0.000 0.447 2419 E N -0.408 119.732 120.200 -0.101 0.000 2.153 2419 E HA -0.216 4.133 4.350 -0.001 0.000 0.194 2419 E C 2.054 178.415 176.600 -0.398 0.000 0.988 2419 E CA 0.900 57.183 56.400 -0.194 0.000 0.811 2419 E CB -0.091 29.575 29.700 -0.057 0.000 0.746 2419 E HN 0.164 nan 8.360 nan 0.000 0.466 2420 R N 0.560 120.723 120.500 -0.561 0.000 2.073 2420 R HA -0.138 4.202 4.340 -0.001 0.000 0.234 2420 R C 2.172 178.340 176.300 -0.220 0.000 1.134 2420 R CA 1.173 56.995 56.100 -0.462 0.000 0.952 2420 R CB -0.254 29.908 30.300 -0.230 0.000 0.850 2420 R HN 0.003 nan 8.270 nan 0.000 0.433 2421 V N 0.881 120.674 119.914 -0.202 0.000 2.307 2421 V HA -0.259 3.860 4.120 -0.001 0.000 0.245 2421 V C 2.253 178.227 176.094 -0.200 0.000 1.045 2421 V CA 1.998 64.178 62.300 -0.199 0.000 1.024 2421 V CB -0.642 30.986 31.823 -0.326 0.000 0.651 2421 V HN 0.437 nan 8.190 nan 0.000 0.449 2422 Q N -0.195 119.471 119.800 -0.222 0.000 2.077 2422 Q HA -0.209 4.130 4.340 -0.001 0.000 0.206 2422 Q C 2.268 178.191 176.000 -0.128 0.000 0.989 2422 Q CA 2.129 57.827 55.803 -0.175 0.000 0.853 2422 Q CB -0.342 28.300 28.738 -0.161 0.000 0.907 2422 Q HN 0.588 nan 8.270 nan 0.000 0.418 2423 I N 0.311 120.804 120.570 -0.128 0.000 2.202 2423 I HA -0.180 3.990 4.170 -0.001 0.000 0.242 2423 I C 2.421 178.505 176.117 -0.056 0.000 1.091 2423 I CA 1.135 62.385 61.300 -0.083 0.000 1.368 2423 I CB -0.775 37.170 38.000 -0.091 0.000 1.058 2423 I HN 0.294 nan 8.210 nan 0.000 0.410 2424 G N 0.791 109.549 108.800 -0.070 0.000 2.442 2424 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.219 2424 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.219 2424 G C 1.833 176.714 174.900 -0.033 0.000 1.141 2424 G CA 0.458 45.535 45.100 -0.037 0.000 0.763 2424 G HN 0.301 nan 8.290 nan 0.000 0.554 2425 R N -0.380 120.076 120.500 -0.073 0.000 2.115 2425 R HA 0.041 4.380 4.340 -0.001 0.000 0.226 2425 R C 2.611 178.885 176.300 -0.042 0.000 1.100 2425 R CA 0.801 56.847 56.100 -0.089 0.000 0.980 2425 R CB -0.337 29.871 30.300 -0.153 0.000 0.875 2425 R HN 0.333 nan 8.270 nan 0.000 0.445 2426 V N 1.416 121.312 119.914 -0.029 0.000 2.323 2426 V HA -0.207 3.913 4.120 -0.001 0.000 0.244 2426 V C 2.263 178.389 176.094 0.054 0.000 1.041 2426 V CA 1.570 63.871 62.300 0.003 0.000 1.025 2426 V CB -0.283 31.538 31.823 -0.003 0.000 0.656 2426 V HN 0.251 nan 8.190 nan 0.000 0.451 2427 I N -0.167 120.449 120.570 0.076 0.000 2.226 2427 I HA -0.276 3.893 4.170 -0.001 0.000 0.245 2427 I C 2.712 178.937 176.117 0.181 0.000 1.100 2427 I CA 1.822 63.220 61.300 0.162 0.000 1.374 2427 I CB -0.477 37.606 38.000 0.139 0.000 1.057 2427 I HN 0.266 nan 8.210 nan 0.000 0.413 2428 R N 1.221 121.791 120.500 0.116 0.000 2.070 2428 R HA -0.211 4.128 4.340 -0.001 0.000 0.233 2428 R C 1.952 178.344 176.300 0.154 0.000 1.137 2428 R CA 2.231 58.408 56.100 0.128 0.000 0.945 2428 R CB -0.209 30.139 30.300 0.080 0.000 0.845 2428 R HN 0.213 nan 8.270 nan 0.000 0.430 2429 D N 0.323 120.807 120.400 0.140 0.000 2.133 2429 D HA -0.169 4.471 4.640 -0.001 0.000 0.195 2429 D C 1.815 178.256 176.300 0.236 0.000 0.997 2429 D CA 1.008 55.117 54.000 0.182 0.000 0.840 2429 D CB -0.140 40.706 40.800 0.077 0.000 0.947 2429 D HN 0.142 nan 8.370 nan 0.000 0.452 2430 L N -0.997 120.285 121.223 0.099 0.000 2.056 2430 L HA -0.124 4.215 4.340 -0.001 0.000 0.207 2430 L C 1.648 178.275 176.870 -0.406 0.000 1.078 2430 L CA 1.667 56.390 54.840 -0.194 0.000 0.749 2430 L CB -0.625 41.208 42.059 -0.377 0.000 0.901 2430 L HN 0.212 nan 8.230 nan 0.000 0.433 2431 Y N -2.986 117.391 120.300 0.127 0.000 2.432 2431 Y HA 0.297 4.847 4.550 -0.001 0.000 0.252 2431 Y C 1.042 177.034 175.900 0.153 0.000 1.097 2431 Y CA -0.256 57.939 58.100 0.158 0.000 1.250 2431 Y CB 0.703 39.262 38.460 0.164 0.000 1.245 2431 Y HN -0.143 nan 8.280 nan 0.000 0.522 2432 L N 0.318 121.685 121.223 0.240 0.000 3.209 2432 L HA 0.372 4.711 4.340 -0.001 0.000 0.279 2432 L C -0.367 176.592 176.870 0.149 0.000 1.301 2432 L CA 0.151 55.104 54.840 0.188 0.000 1.004 2432 L CB 0.813 42.971 42.059 0.165 0.000 1.402 2432 L HN -0.073 nan 8.230 nan 0.000 0.577 2433 T N -1.899 112.732 114.554 0.130 0.000 2.894 2433 T HA 0.177 4.526 4.350 -0.001 0.000 0.309 2433 T C 0.116 174.865 174.700 0.081 0.000 1.208 2433 T CA -0.510 61.659 62.100 0.115 0.000 1.016 2433 T CB 2.432 71.396 68.868 0.162 0.000 1.192 2433 T HN 0.074 nan 8.240 nan 0.000 0.491 2434 D N 0.773 121.221 120.400 0.080 0.000 2.092 2434 D HA -0.097 4.542 4.640 -0.001 0.000 0.193 2434 D C 1.556 177.889 176.300 0.056 0.000 0.994 2434 D CA 1.400 55.438 54.000 0.063 0.000 0.828 2434 D CB -0.077 40.767 40.800 0.074 0.000 0.963 2434 D HN 0.655 nan 8.370 nan 0.000 0.450 2435 W N 1.658 122.903 121.300 -0.092 0.000 2.321 2435 W HA -0.142 4.517 4.660 -0.001 0.000 0.306 2435 W C 2.341 178.742 176.519 -0.197 0.000 1.217 2435 W CA 2.278 59.555 57.345 -0.114 0.000 1.257 2435 W CB -0.529 28.873 29.460 -0.096 0.000 1.145 2435 W HN 0.007 nan 8.180 nan 0.000 0.509 2436 G N -0.295 108.471 108.800 -0.057 0.000 2.448 2436 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.218 2436 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.218 2436 G C 1.630 176.143 174.900 -0.644 0.000 1.135 2436 G CA 0.828 45.695 45.100 -0.389 0.000 0.784 2436 G HN 0.511 nan 8.290 nan 0.000 0.543 2437 G N 1.584 110.089 108.800 -0.492 0.000 2.402 2437 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.216 2437 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.216 2437 G C 1.845 176.358 174.900 -0.645 0.000 1.162 2437 G CA 1.020 45.706 45.100 -0.691 0.000 0.777 2437 G HN 0.580 nan 8.290 nan 0.000 0.539 2438 R N 0.691 120.974 120.500 -0.360 0.000 2.341 2438 R HA 0.053 4.393 4.340 -0.001 0.000 0.213 2438 R C 1.972 178.153 176.300 -0.198 0.000 1.082 2438 R CA 1.094 57.112 56.100 -0.137 0.000 1.017 2438 R CB -0.599 29.702 30.300 0.001 0.000 0.860 2438 R HN 0.396 nan 8.270 nan 0.000 0.473 2439 Q N -0.064 119.412 119.800 -0.540 0.000 2.432 2439 Q HA 0.091 4.430 4.340 -0.001 0.000 0.205 2439 Q C 1.062 177.013 176.000 -0.081 0.000 0.945 2439 Q CA 0.738 56.261 55.803 -0.466 0.000 0.924 2439 Q CB -0.055 28.309 28.738 -0.623 0.000 1.016 2439 Q HN 0.483 nan 8.270 nan 0.000 0.503 2440 F N 0.121 120.102 119.950 0.053 0.000 2.049 2440 F HA -0.170 4.357 4.527 -0.001 0.000 0.288 2440 F C 2.416 178.320 175.800 0.174 0.000 1.141 2440 F CA 0.089 58.166 58.000 0.129 0.000 1.165 2440 F CB -0.459 38.607 39.000 0.109 0.000 1.012 2440 F HN 0.011 nan 8.300 nan 0.000 0.475 2441 M N 0.632 120.454 119.600 0.371 0.000 2.152 2441 M HA -0.300 4.179 4.480 -0.001 0.000 0.251 2441 M C 1.762 178.298 176.300 0.392 0.000 1.080 2441 M CA 1.802 57.298 55.300 0.327 0.000 1.079 2441 M CB -0.834 31.914 32.600 0.247 0.000 1.317 2441 M HN 0.103 nan 8.290 nan 0.000 0.404 2442 F N 0.487 120.515 119.950 0.129 0.000 2.007 2442 F HA -0.202 4.325 4.527 -0.001 0.000 0.298 2442 F C 1.426 177.281 175.800 0.092 0.000 1.197 2442 F CA 1.631 59.708 58.000 0.128 0.000 1.195 2442 F CB -1.093 37.928 39.000 0.036 0.000 0.951 2442 F HN 0.074 nan 8.300 nan 0.000 0.512 2443 E N 1.258 121.621 120.200 0.272 0.000 1.881 2443 E HA 0.020 4.370 4.350 -0.001 0.000 0.264 2443 E C -0.128 176.558 176.600 0.144 0.000 1.243 2443 E CA 0.259 56.731 56.400 0.120 0.000 0.965 2443 E CB 0.170 29.927 29.700 0.094 0.000 1.055 2443 E HN 0.350 nan 8.360 nan 0.000 0.412 2444 N N 1.581 120.324 118.700 0.072 0.000 2.694 2444 N HA -0.089 4.651 4.740 -0.001 0.000 0.353 2444 N C 0.876 176.416 175.510 0.050 0.000 0.626 2444 N CA 0.064 53.180 53.050 0.109 0.000 1.589 2444 N CB -0.601 38.016 38.487 0.217 0.000 1.286 2444 N HN 0.267 nan 8.380 nan 0.000 1.715 2445 F N 1.384 121.332 119.950 -0.004 0.000 2.604 2445 F HA 0.352 4.879 4.527 -0.001 0.000 0.298 2445 F C 1.096 176.879 175.800 -0.028 0.000 1.131 2445 F CA 0.648 58.626 58.000 -0.036 0.000 1.457 2445 F CB -0.472 38.508 39.000 -0.033 0.000 1.095 2445 F HN -0.060 nan 8.300 nan 0.000 0.574 2446 N N 1.061 119.258 118.700 -0.838 0.000 2.364 2446 N HA 0.029 4.768 4.740 -0.001 0.000 0.183 2446 N C 1.651 176.969 175.510 -0.321 0.000 1.022 2446 N CA 1.362 54.000 53.050 -0.686 0.000 0.883 2446 N CB -0.288 37.934 38.487 -0.441 0.000 0.965 2446 N HN 0.614 nan 8.380 nan 0.000 0.438 2447 G N -1.748 106.925 108.800 -0.212 0.000 2.522 2447 G HA2 0.065 4.024 3.960 -0.001 0.000 0.177 2447 G HA3 0.065 4.024 3.960 -0.001 0.000 0.177 2447 G C -0.580 174.262 174.900 -0.097 0.000 1.298 2447 G CA 0.268 45.281 45.100 -0.145 0.000 0.670 2447 G HN 0.037 nan 8.290 nan 0.000 0.664 2448 T N 2.998 117.492 114.554 -0.100 0.000 2.553 2448 T HA -0.126 4.224 4.350 -0.001 0.000 0.502 2448 T C -1.474 173.209 174.700 -0.029 0.000 0.809 2448 T CA 0.599 62.618 62.100 -0.135 0.000 2.657 2448 T CB -0.286 68.378 68.868 -0.340 0.000 1.692 2448 T HN 0.257 nan 8.240 nan 0.000 0.515 2449 P HA -0.247 nan 4.420 nan 0.000 0.207 2449 P C 2.064 179.406 177.300 0.071 0.000 0.954 2449 P CA 1.826 64.921 63.100 -0.009 0.000 0.990 2449 P CB -0.204 31.493 31.700 -0.004 0.000 0.721 2450 L N -3.922 117.376 121.223 0.125 0.000 2.082 2450 L HA -0.299 4.040 4.340 -0.001 0.000 0.223 2450 L C 2.350 179.352 176.870 0.220 0.000 1.086 2450 L CA 2.115 57.051 54.840 0.160 0.000 0.793 2450 L CB -1.879 40.291 42.059 0.184 0.000 0.896 2450 L HN -0.075 nan 8.230 nan 0.000 0.441 2451 F N 0.795 120.745 119.950 0.001 0.000 1.988 2451 F HA -0.198 4.329 4.527 -0.001 0.000 0.296 2451 F C 2.914 178.722 175.800 0.012 0.000 1.178 2451 F CA 1.360 59.367 58.000 0.012 0.000 1.174 2451 F CB -0.766 38.237 39.000 0.005 0.000 0.963 2451 F HN 0.197 nan 8.300 nan 0.000 0.489 2452 A N 0.360 123.308 122.820 0.214 0.000 1.845 2452 A HA -0.187 4.133 4.320 -0.001 0.000 0.215 2452 A C 2.292 179.891 177.584 0.025 0.000 1.195 2452 A CA 2.427 54.510 52.037 0.077 0.000 0.616 2452 A CB -1.568 17.435 19.000 0.005 0.000 0.832 2452 A HN 0.388 nan 8.150 nan 0.000 0.443 2453 V N -3.363 116.533 119.914 -0.029 0.000 2.317 2453 V HA -0.305 3.814 4.120 -0.001 0.000 0.251 2453 V C 2.234 178.361 176.094 0.054 0.000 1.065 2453 V CA 2.420 64.637 62.300 -0.137 0.000 1.049 2453 V CB -1.131 30.464 31.823 -0.379 0.000 0.651 2453 V HN 0.454 nan 8.190 nan 0.000 0.450 2454 F N 0.690 120.615 119.950 -0.042 0.000 2.710 2454 F HA 0.440 4.967 4.527 -0.001 0.000 0.298 2454 F C 2.327 178.131 175.800 0.006 0.000 1.137 2454 F CA 0.461 58.472 58.000 0.017 0.000 1.444 2454 F CB -0.002 39.017 39.000 0.033 0.000 1.111 2454 F HN 0.280 nan 8.300 nan 0.000 0.580 2455 A N -0.669 122.183 122.820 0.053 0.000 2.218 2455 A HA 0.391 4.711 4.320 -0.001 0.000 0.209 2455 A C 1.596 179.156 177.584 -0.039 0.000 1.168 2455 A CA 0.864 52.891 52.037 -0.017 0.000 0.804 2455 A CB -0.486 18.525 19.000 0.019 0.000 0.834 2455 A HN 0.236 nan 8.150 nan 0.000 0.482 2456 A N -0.852 121.946 122.820 -0.037 0.000 2.571 2456 A HA 0.358 4.678 4.320 -0.001 0.000 0.274 2456 A C 1.610 179.171 177.584 -0.038 0.000 1.196 2456 A CA 0.995 53.003 52.037 -0.048 0.000 0.957 2456 A CB -0.335 18.625 19.000 -0.067 0.000 1.150 2456 A HN 0.459 nan 8.150 nan 0.000 0.539 2457 T N -2.729 111.800 114.554 -0.041 0.000 3.111 2457 T HA 0.121 4.471 4.350 -0.001 0.000 0.236 2457 T C 1.515 176.158 174.700 -0.095 0.000 0.984 2457 T CA 0.581 62.690 62.100 0.014 0.000 1.195 2457 T CB -0.560 68.396 68.868 0.146 0.000 0.929 2457 T HN 0.199 nan 8.240 nan 0.000 0.431 2458 M N 2.247 121.699 119.600 -0.247 0.000 2.704 2458 M HA 0.222 4.701 4.480 -0.001 0.000 0.215 2458 M C 1.909 178.125 176.300 -0.140 0.000 1.156 2458 M CA 0.428 55.596 55.300 -0.221 0.000 1.002 2458 M CB -0.526 31.871 32.600 -0.339 0.000 1.781 2458 M HN 0.373 nan 8.290 nan 0.000 0.486 2459 T N 0.445 114.934 114.554 -0.108 0.000 2.988 2459 T HA 0.102 4.451 4.350 -0.001 0.000 0.240 2459 T C 1.834 176.483 174.700 -0.085 0.000 1.014 2459 T CA 0.882 62.931 62.100 -0.085 0.000 1.155 2459 T CB 0.330 69.158 68.868 -0.065 0.000 0.872 2459 T HN 0.429 nan 8.240 nan 0.000 0.440 2460 R N 0.488 120.938 120.500 -0.083 0.000 2.335 2460 R HA 0.311 4.651 4.340 -0.001 0.000 0.210 2460 R C -0.456 175.790 176.300 -0.090 0.000 0.892 2460 R CA 0.083 56.123 56.100 -0.099 0.000 1.048 2460 R CB 0.522 30.753 30.300 -0.116 0.000 1.067 2460 R HN 0.423 nan 8.270 nan 0.000 0.524 2461 D N -0.449 119.911 120.400 -0.066 0.000 2.497 2461 D HA 0.156 4.796 4.640 -0.001 0.000 0.243 2461 D C -1.142 175.137 176.300 -0.035 0.000 1.039 2461 D CA -0.640 53.336 54.000 -0.041 0.000 1.052 2461 D CB 1.141 41.942 40.800 0.003 0.000 1.344 2461 D HN -0.223 nan 8.370 nan 0.000 0.553 2462 D N 0.616 121.016 120.400 -0.001 0.000 2.454 2462 D HA 0.237 4.877 4.640 -0.001 0.000 0.247 2462 D C -0.924 175.425 176.300 0.082 0.000 1.129 2462 D CA -0.535 53.473 54.000 0.014 0.000 0.877 2462 D CB 1.086 41.895 40.800 0.016 0.000 1.082 2462 D HN 0.138 nan 8.370 nan 0.000 0.537 2463 M N 2.505 122.138 119.600 0.056 0.000 3.179 2463 M HA 0.133 4.613 4.480 -0.001 0.000 0.267 2463 M C -0.202 176.181 176.300 0.139 0.000 1.212 2463 M CA -0.313 55.078 55.300 0.151 0.000 1.105 2463 M CB -0.160 32.513 32.600 0.122 0.000 1.211 2463 M HN 0.247 nan 8.290 nan 0.000 0.541 2464 S N -1.779 113.997 115.700 0.127 0.000 2.715 2464 S HA 0.832 5.302 4.470 -0.001 0.000 0.307 2464 S C 1.192 175.884 174.600 0.154 0.000 1.119 2464 S CA -0.406 57.862 58.200 0.112 0.000 0.937 2464 S CB 1.254 64.491 63.200 0.061 0.000 1.150 2464 S HN 0.280 nan 8.310 nan 0.000 0.521 2465 A N 0.253 123.155 122.820 0.136 0.000 2.076 2465 A HA 0.216 4.536 4.320 -0.001 0.000 0.220 2465 A C 2.025 179.767 177.584 0.263 0.000 1.160 2465 A CA 1.689 53.833 52.037 0.178 0.000 0.653 2465 A CB -1.371 17.706 19.000 0.127 0.000 0.801 2465 A HN 1.353 nan 8.150 nan 0.000 0.455 2466 A N -0.722 122.195 122.820 0.161 0.000 2.195 2466 A HA 0.476 4.796 4.320 -0.001 0.000 0.210 2466 A C 1.499 179.195 177.584 0.186 0.000 1.165 2466 A CA 0.814 52.894 52.037 0.071 0.000 0.806 2466 A CB -0.644 18.325 19.000 -0.053 0.000 0.847 2466 A HN 0.645 nan 8.150 nan 0.000 0.482 2467 G N -0.981 107.954 108.800 0.225 0.000 2.516 2467 G HA2 0.298 4.258 3.960 -0.001 0.000 0.276 2467 G HA3 0.298 4.258 3.960 -0.001 0.000 0.276 2467 G C 1.215 176.255 174.900 0.233 0.000 1.390 2467 G CA 0.620 45.837 45.100 0.195 0.000 1.050 2467 G HN 0.443 nan 8.290 nan 0.000 0.519 2468 T N -2.886 111.704 114.554 0.059 0.000 2.833 2468 T HA -0.166 4.184 4.350 -0.001 0.000 0.269 2468 T C 1.790 176.376 174.700 -0.189 0.000 1.054 2468 T CA 1.500 63.537 62.100 -0.105 0.000 1.135 2468 T CB -0.432 68.273 68.868 -0.271 0.000 0.869 2468 T HN 0.416 nan 8.240 nan 0.000 0.466 2469 Y N 1.505 121.822 120.300 0.028 0.000 2.578 2469 Y HA 0.339 4.889 4.550 -0.000 0.000 0.297 2469 Y C 2.606 178.499 175.900 -0.011 0.000 1.176 2469 Y CA 0.013 58.121 58.100 0.013 0.000 1.315 2469 Y CB -0.229 38.253 38.460 0.036 0.000 1.031 2469 Y HN 0.388 nan 8.280 nan 0.000 0.524 2470 G N -0.281 108.578 108.800 0.098 0.000 2.603 2470 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.214 2470 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.214 2470 G C 1.652 176.307 174.900 -0.408 0.000 1.140 2470 G CA 0.110 45.238 45.100 0.047 0.000 0.800 2470 G HN 0.230 nan 8.290 nan 0.000 0.533 2471 K N 0.122 119.987 120.400 -0.891 0.000 1.973 2471 K HA -0.084 4.236 4.320 -0.001 0.000 0.212 2471 K C 2.052 178.463 176.600 -0.314 0.000 1.047 2471 K CA 1.085 56.713 56.287 -1.099 0.000 0.937 2471 K CB -0.438 31.572 32.500 -0.816 0.000 0.721 2471 K HN 0.303 nan 8.250 nan 0.000 0.440 2472 F N 0.975 120.752 119.950 -0.289 0.000 2.075 2472 F HA -0.253 4.274 4.527 -0.001 0.000 0.297 2472 F C 2.248 177.989 175.800 -0.099 0.000 1.113 2472 F CA 1.274 59.184 58.000 -0.151 0.000 1.218 2472 F CB -0.155 38.786 39.000 -0.098 0.000 0.984 2472 F HN 0.218 nan 8.300 nan 0.000 0.472 2473 A N -0.315 122.418 122.820 -0.146 0.000 1.908 2473 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 2473 A C 2.238 179.745 177.584 -0.129 0.000 1.181 2473 A CA 2.158 54.070 52.037 -0.209 0.000 0.627 2473 A CB -1.218 17.723 19.000 -0.098 0.000 0.818 2473 A HN 0.471 nan 8.150 nan 0.000 0.445 2474 S N -0.688 114.974 115.700 -0.064 0.000 2.356 2474 S HA -0.240 4.230 4.470 -0.001 0.000 0.223 2474 S C 2.170 176.767 174.600 -0.006 0.000 1.032 2474 S CA 1.509 59.710 58.200 0.002 0.000 1.005 2474 S CB -0.380 62.875 63.200 0.091 0.000 0.867 2474 S HN 0.763 nan 8.310 nan 0.000 0.449 2475 Q N 0.976 120.767 119.800 -0.016 0.000 2.096 2475 Q HA -0.133 4.206 4.340 -0.001 0.000 0.204 2475 Q C 2.040 178.026 176.000 -0.023 0.000 0.982 2475 Q CA 1.653 57.464 55.803 0.013 0.000 0.850 2475 Q CB -0.229 28.547 28.738 0.064 0.000 0.901 2475 Q HN 0.398 nan 8.270 nan 0.000 0.422 2476 V N 0.345 120.196 119.914 -0.106 0.000 2.515 2476 V HA -0.265 3.855 4.120 -0.001 0.000 0.250 2476 V C 2.242 178.278 176.094 -0.096 0.000 1.058 2476 V CA 1.530 63.740 62.300 -0.150 0.000 1.064 2476 V CB -0.375 31.241 31.823 -0.345 0.000 0.675 2476 V HN 0.547 nan 8.190 nan 0.000 0.461 2477 C N 0.349 119.601 119.300 -0.080 0.000 2.618 2477 C HA 0.444 4.904 4.460 -0.001 0.000 0.264 2477 C C 1.910 176.888 174.990 -0.020 0.000 1.334 2477 C CA 0.192 59.181 59.018 -0.047 0.000 1.731 2477 C CB -1.021 26.695 27.740 -0.040 0.000 1.852 2477 C HN 0.834 nan 8.230 nan 0.000 0.566 2478 G N 1.188 109.982 108.800 -0.010 0.000 2.160 2478 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.244 2478 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.244 2478 G C -0.196 174.716 174.900 0.020 0.000 1.022 2478 G CA -0.105 44.999 45.100 0.007 0.000 0.741 2478 G HN 0.563 nan 8.290 nan 0.000 0.508 2479 I N 0.427 121.015 120.570 0.031 0.000 2.412 2479 I HA 0.316 4.486 4.170 -0.001 0.000 0.296 2479 I C 0.795 176.962 176.117 0.083 0.000 0.987 2479 I CA -0.875 60.454 61.300 0.049 0.000 1.180 2479 I CB 1.344 39.374 38.000 0.051 0.000 1.340 2479 I HN 0.067 nan 8.210 nan 0.000 0.455 2480 E N 4.332 124.578 120.200 0.077 0.000 2.413 2480 E HA 0.075 4.425 4.350 -0.001 0.000 0.263 2480 E C -1.285 175.413 176.600 0.163 0.000 1.015 2480 E CA 0.418 56.876 56.400 0.097 0.000 0.916 2480 E CB 0.903 30.633 29.700 0.051 0.000 0.947 2480 E HN 0.304 nan 8.360 nan 0.000 0.440 2481 F N 1.937 121.895 119.950 0.014 0.000 2.539 2481 F HA 0.501 5.027 4.527 -0.001 0.000 0.318 2481 F C 0.204 176.011 175.800 0.011 0.000 1.135 2481 F CA 0.529 58.539 58.000 0.016 0.000 0.915 2481 F CB 1.260 40.275 39.000 0.025 0.000 1.176 2481 F HN 0.623 nan 8.300 nan 0.000 0.440 2482 G N 0.000 108.415 108.800 -0.642 0.000 5.446 2482 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 2482 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 2482 G CA 0.000 44.826 45.100 -0.456 0.000 0.502 2482 G HN 0.000 nan 8.290 nan 0.000 0.925