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 1qd1_1_B DATA FIRST_RESID 2002 DATA SEQUENCE SQLVECVPNF SEGKNQEVID AISRAVAQTP GCVLLDVDSG PSTNRTVYTF DATA SEQUENCE VGRPEDVVEG ALNAARAAYQ LIDMSRHHGE HPRMGALDVC PFIPVRGVTM DATA SEQUENCE DECVRCAQAF GQRLAEELGV PVYLYGEAAR TAGRQSLPAL RAGEYEALPE DATA SEQUENCE KLKQAEWAPD FGPSAFVPSW GATVAGARKF LLAFNINLLS TREQAHRIAL DATA SEQUENCE DLREQGRGKD QPGRLKKVQA IGWYLDEKNL AQVSTNLLDF EVTGLHTVFE DATA SEQUENCE ETCREAQELS LPVVGSQLVG LVPLKALLDA AAFYCEKENL FLLQDEHRIR DATA SEQUENCE LVVNRLGLDS LAPFKPKERI IEYLV 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 2002 S HA 0.000 nan 4.470 nan 0.000 0.327 2002 S C 0.000 174.619 174.600 0.031 0.000 1.055 2002 S CA 0.000 58.217 58.200 0.029 0.000 1.107 2002 S CB 0.000 63.219 63.200 0.032 0.000 0.593 2003 Q N 1.626 121.444 119.800 0.029 0.000 2.332 2003 Q HA 0.555 4.895 4.340 -0.000 0.000 0.263 2003 Q C -0.987 175.036 176.000 0.037 0.000 0.979 2003 Q CA -0.235 55.584 55.803 0.028 0.000 0.885 2003 Q CB 1.055 29.806 28.738 0.021 0.000 1.218 2003 Q HN 0.675 nan 8.270 nan 0.000 0.405 2004 L N 3.048 124.294 121.223 0.037 0.000 2.438 2004 L HA 0.502 4.842 4.340 -0.000 0.000 0.270 2004 L C -1.487 175.402 176.870 0.033 0.000 0.972 2004 L CA -0.598 54.269 54.840 0.046 0.000 0.831 2004 L CB 2.266 44.360 42.059 0.059 0.000 1.273 2004 L HN 0.394 nan 8.230 nan 0.000 0.405 2005 V N 3.595 123.530 119.914 0.035 0.000 2.680 2005 V HA 0.529 4.649 4.120 -0.000 0.000 0.309 2005 V C -0.469 175.614 176.094 -0.019 0.000 1.052 2005 V CA -0.752 61.556 62.300 0.013 0.000 0.908 2005 V CB 2.011 33.868 31.823 0.056 0.000 1.001 2005 V HN 0.769 nan 8.190 nan 0.000 0.431 2006 E N 2.056 122.212 120.200 -0.073 0.000 2.191 2006 E HA 0.478 4.828 4.350 -0.000 0.000 0.278 2006 E C -1.478 174.949 176.600 -0.288 0.000 0.972 2006 E CA -0.366 55.956 56.400 -0.130 0.000 0.804 2006 E CB 1.686 31.368 29.700 -0.031 0.000 1.110 2006 E HN 0.780 nan 8.360 nan 0.000 0.394 2007 C N 4.683 123.640 119.300 -0.572 0.000 2.369 2007 C HA 0.535 4.995 4.460 -0.000 0.000 0.322 2007 C C -0.554 174.040 174.990 -0.660 0.000 1.258 2007 C CA -0.380 58.120 59.018 -0.862 0.000 1.487 2007 C CB 0.152 27.065 27.740 -1.379 0.000 2.165 2007 C HN 0.570 nan 8.230 nan 0.000 0.483 2008 V N 7.996 127.675 119.914 -0.393 0.000 2.454 2008 V HA 0.296 4.416 4.120 -0.000 0.000 0.255 2008 V C -2.066 173.990 176.094 -0.063 0.000 1.009 2008 V CA -0.973 61.251 62.300 -0.127 0.000 1.149 2008 V CB 0.340 32.137 31.823 -0.044 0.000 1.418 2008 V HN 0.802 nan 8.190 nan 0.000 0.567 2009 P HA 0.150 nan 4.420 nan 0.000 0.271 2009 P C -0.602 176.749 177.300 0.085 0.000 1.216 2009 P CA 0.160 63.238 63.100 -0.037 0.000 0.776 2009 P CB 0.948 32.657 31.700 0.015 0.000 0.881 2010 N N 2.233 120.855 118.700 -0.129 0.000 2.400 2010 N HA 0.402 5.142 4.740 -0.000 0.000 0.288 2010 N C -0.913 174.448 175.510 -0.248 0.000 1.024 2010 N CA -0.385 52.633 53.050 -0.054 0.000 0.894 2010 N CB 0.873 39.290 38.487 -0.116 0.000 1.173 2010 N HN 0.324 nan 8.380 nan 0.000 0.487 2011 F N 0.102 120.077 119.950 0.041 0.000 2.522 2011 F HA 0.260 4.787 4.527 -0.000 0.000 0.324 2011 F C 0.813 176.548 175.800 -0.109 0.000 1.077 2011 F CA -0.820 57.162 58.000 -0.029 0.000 0.944 2011 F CB 1.807 40.852 39.000 0.076 0.000 1.175 2011 F HN 0.286 nan 8.300 nan 0.000 0.468 2012 S N 2.021 117.669 115.700 -0.087 0.000 4.183 2012 S HA 0.264 4.734 4.470 -0.000 0.000 0.195 2012 S C -0.509 174.020 174.600 -0.119 0.000 1.421 2012 S CA 0.042 58.053 58.200 -0.315 0.000 0.920 2012 S CB -0.894 61.794 63.200 -0.853 0.000 1.525 2012 S HN 0.491 nan 8.310 nan 0.000 0.447 2013 E N 0.352 120.590 120.200 0.063 0.000 2.415 2013 E HA 0.484 4.834 4.350 -0.000 0.000 0.302 2013 E C 0.021 176.663 176.600 0.070 0.000 0.907 2013 E CA -0.283 56.173 56.400 0.093 0.000 0.798 2013 E CB 0.548 30.288 29.700 0.066 0.000 1.315 2013 E HN 0.235 nan 8.360 nan 0.000 0.396 2014 G N 3.551 112.380 108.800 0.049 0.000 4.008 2014 G HA2 0.124 4.084 3.960 -0.000 0.000 0.278 2014 G HA3 0.124 4.084 3.960 -0.000 0.000 0.278 2014 G C 0.415 175.307 174.900 -0.013 0.000 1.021 2014 G CA -0.190 44.913 45.100 0.005 0.000 0.833 2014 G HN 0.361 nan 8.290 nan 0.000 0.454 2015 K N -0.194 120.204 120.400 -0.004 0.000 2.325 2015 K HA 0.133 4.453 4.320 -0.000 0.000 0.203 2015 K C 0.327 176.921 176.600 -0.011 0.000 1.128 2015 K CA -0.343 55.935 56.287 -0.015 0.000 0.931 2015 K CB 0.230 32.719 32.500 -0.019 0.000 1.125 2015 K HN 0.067 nan 8.250 nan 0.000 0.487 2016 N N 2.453 121.151 118.700 -0.003 0.000 2.402 2016 N HA -0.042 4.698 4.740 -0.000 0.000 0.259 2016 N C 0.541 176.048 175.510 -0.004 0.000 1.167 2016 N CA 0.404 53.451 53.050 -0.004 0.000 0.949 2016 N CB 1.454 39.940 38.487 -0.001 0.000 1.212 2016 N HN 0.071 nan 8.380 nan 0.000 0.493 2017 Q N 2.963 122.758 119.800 -0.008 0.000 2.170 2017 Q HA -0.110 4.230 4.340 -0.000 0.000 0.203 2017 Q C 1.068 177.065 176.000 -0.005 0.000 0.976 2017 Q CA 1.624 57.422 55.803 -0.008 0.000 0.858 2017 Q CB 0.178 28.910 28.738 -0.011 0.000 0.907 2017 Q HN 0.655 nan 8.270 nan 0.000 0.433 2018 E N -1.131 119.065 120.200 -0.007 0.000 2.051 2018 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 2018 E C 1.918 178.511 176.600 -0.011 0.000 0.991 2018 E CA 1.491 57.886 56.400 -0.009 0.000 0.799 2018 E CB 0.015 29.709 29.700 -0.010 0.000 0.748 2018 E HN 0.208 nan 8.360 nan 0.000 0.449 2019 V N 1.556 121.464 119.914 -0.010 0.000 2.307 2019 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 2019 V C 2.289 178.373 176.094 -0.017 0.000 1.045 2019 V CA 1.454 63.743 62.300 -0.018 0.000 1.024 2019 V CB -0.398 31.419 31.823 -0.011 0.000 0.651 2019 V HN 0.248 nan 8.190 nan 0.000 0.449 2020 I N 0.345 120.923 120.570 0.013 0.000 2.163 2020 I HA -0.269 3.901 4.170 -0.000 0.000 0.243 2020 I C 2.246 178.411 176.117 0.079 0.000 1.085 2020 I CA 1.777 63.117 61.300 0.067 0.000 1.347 2020 I CB -0.512 37.505 38.000 0.029 0.000 1.044 2020 I HN 0.325 nan 8.210 nan 0.000 0.408 2021 D N 0.904 121.320 120.400 0.027 0.000 2.178 2021 D HA -0.102 4.538 4.640 -0.000 0.000 0.202 2021 D C 2.241 178.533 176.300 -0.013 0.000 0.974 2021 D CA 1.387 55.398 54.000 0.018 0.000 0.841 2021 D CB -0.183 40.618 40.800 0.002 0.000 0.953 2021 D HN 0.348 nan 8.370 nan 0.000 0.478 2022 A N 0.637 123.435 122.820 -0.036 0.000 1.902 2022 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 2022 A C 2.314 179.825 177.584 -0.122 0.000 1.181 2022 A CA 0.833 52.833 52.037 -0.063 0.000 0.623 2022 A CB -0.635 18.333 19.000 -0.054 0.000 0.818 2022 A HN 0.198 nan 8.150 nan 0.000 0.443 2023 I N -0.469 119.988 120.570 -0.188 0.000 2.315 2023 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 2023 I C 2.609 178.487 176.117 -0.398 0.000 1.117 2023 I CA 1.184 62.235 61.300 -0.415 0.000 1.404 2023 I CB -0.269 37.272 38.000 -0.765 0.000 1.071 2023 I HN 0.211 nan 8.210 nan 0.000 0.419 2024 S N 0.607 116.230 115.700 -0.129 0.000 2.368 2024 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 2024 S C 2.079 176.626 174.600 -0.088 0.000 1.030 2024 S CA 1.263 59.461 58.200 -0.003 0.000 0.999 2024 S CB -0.250 63.026 63.200 0.126 0.000 0.844 2024 S HN 0.376 nan 8.310 nan 0.000 0.459 2025 R N 1.044 121.497 120.500 -0.080 0.000 2.096 2025 R HA -0.010 4.330 4.340 -0.000 0.000 0.235 2025 R C 2.591 178.827 176.300 -0.106 0.000 1.127 2025 R CA 1.174 57.229 56.100 -0.075 0.000 0.968 2025 R CB -0.524 29.744 30.300 -0.053 0.000 0.861 2025 R HN 0.408 nan 8.270 nan 0.000 0.440 2026 A N 0.731 123.466 122.820 -0.141 0.000 1.908 2026 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 2026 A C 2.349 179.823 177.584 -0.184 0.000 1.181 2026 A CA 1.545 53.497 52.037 -0.141 0.000 0.627 2026 A CB -0.486 18.422 19.000 -0.153 0.000 0.818 2026 A HN 0.115 nan 8.150 nan 0.000 0.445 2027 V N -0.422 119.325 119.914 -0.280 0.000 2.255 2027 V HA -0.158 3.962 4.120 -0.000 0.000 0.243 2027 V C 3.039 178.960 176.094 -0.289 0.000 1.038 2027 V CA 1.808 63.855 62.300 -0.422 0.000 1.008 2027 V CB -1.271 30.172 31.823 -0.633 0.000 0.645 2027 V HN 0.590 nan 8.190 nan 0.000 0.449 2028 A N -0.816 121.893 122.820 -0.184 0.000 2.024 2028 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 2028 A C 2.050 179.594 177.584 -0.068 0.000 1.164 2028 A CA 1.726 53.705 52.037 -0.096 0.000 0.643 2028 A CB -0.439 18.530 19.000 -0.051 0.000 0.806 2028 A HN 0.682 nan 8.150 nan 0.000 0.451 2029 Q N -0.543 119.212 119.800 -0.075 0.000 2.360 2029 Q HA 0.064 4.404 4.340 -0.000 0.000 0.202 2029 Q C -0.347 175.629 176.000 -0.041 0.000 0.915 2029 Q CA 0.075 55.850 55.803 -0.047 0.000 0.943 2029 Q CB 0.269 28.981 28.738 -0.043 0.000 1.064 2029 Q HN 0.463 nan 8.270 nan 0.000 0.511 2030 T N 3.242 117.761 114.554 -0.057 0.000 2.794 2030 T HA 0.201 4.551 4.350 -0.000 0.000 0.296 2030 T C -2.393 172.305 174.700 -0.004 0.000 0.949 2030 T CA -1.281 60.800 62.100 -0.032 0.000 1.101 2030 T CB 0.879 69.719 68.868 -0.046 0.000 0.905 2030 T HN -0.055 nan 8.240 nan 0.000 0.516 2031 P HA 0.179 nan 4.420 nan 0.000 0.262 2031 P C 1.068 178.393 177.300 0.043 0.000 1.182 2031 P CA 0.862 63.976 63.100 0.023 0.000 0.761 2031 P CB 0.255 31.968 31.700 0.022 0.000 0.795 2032 G N 1.440 110.269 108.800 0.047 0.000 2.179 2032 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 2032 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 2032 G C 0.148 175.108 174.900 0.100 0.000 0.977 2032 G CA -0.091 45.050 45.100 0.069 0.000 0.641 2032 G HN 0.654 nan 8.290 nan 0.000 0.533 2033 C N 0.663 120.018 119.300 0.091 0.000 2.341 2033 C HA 0.719 5.179 4.460 -0.000 0.000 0.338 2033 C C 0.585 175.634 174.990 0.097 0.000 1.257 2033 C CA -0.709 58.389 59.018 0.134 0.000 1.883 2033 C CB 1.378 29.147 27.740 0.049 0.000 2.334 2033 C HN 0.373 nan 8.230 nan 0.000 0.524 2034 V N 4.809 124.820 119.914 0.161 0.000 2.407 2034 V HA 0.306 4.426 4.120 -0.000 0.000 0.291 2034 V C -0.277 175.922 176.094 0.175 0.000 1.018 2034 V CA -0.409 61.966 62.300 0.124 0.000 0.842 2034 V CB 1.373 33.263 31.823 0.112 0.000 0.996 2034 V HN 0.686 nan 8.190 nan 0.000 0.426 2035 L N 6.018 127.309 121.223 0.115 0.000 2.315 2035 L HA 0.383 4.723 4.340 -0.000 0.000 0.283 2035 L C 0.650 177.601 176.870 0.134 0.000 1.089 2035 L CA 0.642 55.572 54.840 0.149 0.000 0.833 2035 L CB 0.627 42.731 42.059 0.075 0.000 1.170 2035 L HN 0.607 nan 8.230 nan 0.000 0.442 2036 L N 2.905 124.224 121.223 0.161 0.000 2.408 2036 L HA 0.364 4.704 4.340 -0.000 0.000 0.215 2036 L C -0.026 176.889 176.870 0.074 0.000 1.081 2036 L CA 0.176 55.079 54.840 0.105 0.000 0.840 2036 L CB 0.082 42.203 42.059 0.104 0.000 1.002 2036 L HN 0.682 nan 8.230 nan 0.000 0.468 2037 D N -1.560 118.894 120.400 0.091 0.000 2.663 2037 D HA 0.425 5.065 4.640 -0.000 0.000 0.233 2037 D C -1.509 174.799 176.300 0.015 0.000 1.240 2037 D CA -0.254 53.769 54.000 0.039 0.000 0.774 2037 D CB 2.461 43.275 40.800 0.024 0.000 1.443 2037 D HN -0.306 nan 8.370 nan 0.000 0.441 2038 V N 2.537 122.412 119.914 -0.065 0.000 2.524 2038 V HA 0.470 4.590 4.120 -0.000 0.000 0.297 2038 V C -1.205 174.780 176.094 -0.182 0.000 1.035 2038 V CA -0.714 61.453 62.300 -0.221 0.000 0.867 2038 V CB 1.751 33.444 31.823 -0.217 0.000 1.004 2038 V HN 0.570 nan 8.190 nan 0.000 0.426 2039 D N 3.290 123.571 120.400 -0.199 0.000 2.462 2039 D HA 0.509 5.149 4.640 -0.000 0.000 0.245 2039 D C -0.230 175.994 176.300 -0.125 0.000 1.122 2039 D CA 0.028 53.961 54.000 -0.113 0.000 0.864 2039 D CB 1.900 42.671 40.800 -0.049 0.000 1.098 2039 D HN 0.634 nan 8.370 nan 0.000 0.541 2040 S N 1.452 117.088 115.700 -0.107 0.000 2.501 2040 S HA 0.897 5.367 4.470 -0.000 0.000 0.301 2040 S C 0.189 174.755 174.600 -0.056 0.000 1.096 2040 S CA -0.893 57.255 58.200 -0.088 0.000 1.063 2040 S CB 2.082 65.228 63.200 -0.090 0.000 1.042 2040 S HN 0.316 nan 8.310 nan 0.000 0.494 2041 G N 1.660 110.428 108.800 -0.054 0.000 2.643 2041 G HA2 0.609 4.569 3.960 -0.000 0.000 0.305 2041 G HA3 0.609 4.569 3.960 -0.000 0.000 0.305 2041 G C -2.208 172.649 174.900 -0.071 0.000 1.387 2041 G CA -1.872 43.191 45.100 -0.062 0.000 0.982 2041 G HN 0.495 nan 8.290 nan 0.000 0.501 2042 P HA -0.030 nan 4.420 nan 0.000 0.219 2042 P C 1.591 178.828 177.300 -0.104 0.000 1.154 2042 P CA 0.748 63.804 63.100 -0.074 0.000 0.826 2042 P CB 0.670 32.333 31.700 -0.062 0.000 0.795 2043 S N -0.100 115.513 115.700 -0.145 0.000 2.395 2043 S HA -0.059 4.411 4.470 -0.000 0.000 0.225 2043 S C 1.955 176.403 174.600 -0.252 0.000 1.027 2043 S CA 1.866 59.953 58.200 -0.188 0.000 0.965 2043 S CB -1.172 61.894 63.200 -0.223 0.000 0.812 2043 S HN 0.390 nan 8.310 nan 0.000 0.482 2044 T N 0.072 114.447 114.554 -0.298 0.000 2.951 2044 T HA 0.007 4.356 4.350 -0.000 0.000 0.268 2044 T C 0.806 175.437 174.700 -0.115 0.000 1.073 2044 T CA 0.686 62.588 62.100 -0.331 0.000 1.134 2044 T CB -0.529 68.140 68.868 -0.333 0.000 0.884 2044 T HN 0.279 nan 8.240 nan 0.000 0.479 2045 N N 1.623 120.274 118.700 -0.082 0.000 2.696 2045 N HA -0.180 4.560 4.740 -0.000 0.000 0.256 2045 N C -0.336 175.244 175.510 0.118 0.000 1.031 2045 N CA 0.562 53.618 53.050 0.010 0.000 0.730 2045 N CB -1.066 37.391 38.487 -0.050 0.000 0.894 2045 N HN 0.800 nan 8.380 nan 0.000 0.544 2046 R N -0.268 120.247 120.500 0.026 0.000 2.680 2046 R HA 0.568 4.908 4.340 -0.000 0.000 0.269 2046 R C -1.401 174.888 176.300 -0.018 0.000 1.026 2046 R CA -0.487 55.615 56.100 0.004 0.000 0.889 2046 R CB 1.252 31.504 30.300 -0.080 0.000 1.241 2046 R HN 0.132 nan 8.270 nan 0.000 0.463 2047 T N 1.933 116.496 114.554 0.015 0.000 2.886 2047 T HA 0.332 4.682 4.350 -0.000 0.000 0.292 2047 T C -1.541 173.155 174.700 -0.006 0.000 1.012 2047 T CA -0.526 61.543 62.100 -0.053 0.000 0.982 2047 T CB 1.758 70.561 68.868 -0.109 0.000 1.018 2047 T HN 0.302 nan 8.240 nan 0.000 0.451 2048 V N 4.529 124.384 119.914 -0.099 0.000 2.459 2048 V HA 0.669 4.789 4.120 -0.000 0.000 0.295 2048 V C -1.725 174.318 176.094 -0.086 0.000 1.029 2048 V CA -0.567 61.742 62.300 0.014 0.000 0.874 2048 V CB 0.785 32.619 31.823 0.018 0.000 0.985 2048 V HN 0.832 nan 8.190 nan 0.000 0.438 2049 Y N 3.491 123.900 120.300 0.182 0.000 2.360 2049 Y HA 0.626 5.176 4.550 -0.000 0.000 0.337 2049 Y C 0.557 176.591 175.900 0.223 0.000 1.039 2049 Y CA -0.504 57.720 58.100 0.207 0.000 1.109 2049 Y CB 2.152 40.776 38.460 0.272 0.000 1.201 2049 Y HN 0.592 nan 8.280 nan 0.000 0.458 2050 T N 5.798 120.548 114.554 0.326 0.000 2.840 2050 T HA 0.697 5.047 4.350 -0.000 0.000 0.287 2050 T C -1.236 173.658 174.700 0.323 0.000 0.991 2050 T CA -0.518 61.716 62.100 0.223 0.000 0.964 2050 T CB -0.237 68.703 68.868 0.120 0.000 0.954 2050 T HN 0.491 nan 8.240 nan 0.000 0.438 2051 F N 3.462 123.464 119.950 0.087 0.000 2.643 2051 F HA 0.880 5.407 4.527 -0.000 0.000 0.314 2051 F C -1.039 174.803 175.800 0.070 0.000 1.096 2051 F CA -1.334 56.713 58.000 0.078 0.000 0.953 2051 F CB 1.088 40.135 39.000 0.078 0.000 1.345 2051 F HN 0.424 nan 8.300 nan 0.000 0.468 2052 V N -1.062 118.996 119.914 0.241 0.000 3.102 2052 V HA 1.111 5.231 4.120 -0.000 0.000 0.312 2052 V C -0.378 175.831 176.094 0.191 0.000 1.135 2052 V CA -0.323 62.051 62.300 0.124 0.000 1.022 2052 V CB 1.007 32.893 31.823 0.105 0.000 1.056 2052 V HN 1.890 nan 8.190 nan 0.000 0.436 2053 G N 0.970 109.850 108.800 0.134 0.000 2.324 2053 G HA2 0.365 4.325 3.960 -0.000 0.000 0.293 2053 G HA3 0.365 4.325 3.960 -0.000 0.000 0.293 2053 G C -1.306 173.656 174.900 0.103 0.000 1.297 2053 G CA -1.177 44.005 45.100 0.135 0.000 0.853 2053 G HN 0.904 nan 8.290 nan 0.000 0.535 2054 R N 0.619 121.173 120.500 0.090 0.000 2.734 2054 R HA 0.225 4.565 4.340 -0.000 0.000 0.266 2054 R C -1.522 174.822 176.300 0.074 0.000 1.044 2054 R CA -0.760 55.380 56.100 0.068 0.000 1.128 2054 R CB 0.581 30.914 30.300 0.055 0.000 1.010 2054 R HN 0.214 nan 8.270 nan 0.000 0.461 2055 P HA -0.255 nan 4.420 nan 0.000 0.216 2055 P C 0.439 177.757 177.300 0.031 0.000 1.167 2055 P CA 1.600 64.717 63.100 0.028 0.000 0.914 2055 P CB 0.141 31.836 31.700 -0.008 0.000 0.793 2056 E N -1.009 119.208 120.200 0.027 0.000 2.153 2056 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 2056 E C 1.566 178.213 176.600 0.080 0.000 0.988 2056 E CA 0.990 57.410 56.400 0.033 0.000 0.811 2056 E CB -0.505 29.208 29.700 0.022 0.000 0.746 2056 E HN 0.338 nan 8.360 nan 0.000 0.466 2057 D N 0.369 120.828 120.400 0.099 0.000 2.123 2057 D HA -0.123 4.517 4.640 -0.000 0.000 0.200 2057 D C 2.241 178.672 176.300 0.220 0.000 0.976 2057 D CA 1.282 55.361 54.000 0.132 0.000 0.831 2057 D CB -0.156 40.714 40.800 0.118 0.000 0.974 2057 D HN 0.197 nan 8.370 nan 0.000 0.469 2058 V N -0.875 119.200 119.914 0.268 0.000 2.626 2058 V HA -0.126 3.994 4.120 -0.000 0.000 0.252 2058 V C 2.380 178.771 176.094 0.496 0.000 1.067 2058 V CA 0.834 63.398 62.300 0.440 0.000 1.081 2058 V CB -0.909 31.080 31.823 0.277 0.000 0.686 2058 V HN -0.027 nan 8.190 nan 0.000 0.468 2059 V N 0.610 120.737 119.914 0.356 0.000 2.358 2059 V HA -0.145 3.974 4.120 -0.000 0.000 0.246 2059 V C 2.949 179.255 176.094 0.353 0.000 1.047 2059 V CA 2.251 64.763 62.300 0.353 0.000 1.035 2059 V CB -0.673 31.224 31.823 0.122 0.000 0.658 2059 V HN 0.548 nan 8.190 nan 0.000 0.452 2060 E N 0.576 120.918 120.200 0.237 0.000 2.106 2060 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 2060 E C 2.338 179.048 176.600 0.183 0.000 0.984 2060 E CA 1.413 57.919 56.400 0.176 0.000 0.806 2060 E CB -0.689 29.076 29.700 0.109 0.000 0.750 2060 E HN 0.613 nan 8.360 nan 0.000 0.458 2061 G N 1.286 110.212 108.800 0.211 0.000 2.402 2061 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 2061 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 2061 G C 1.756 176.742 174.900 0.144 0.000 1.162 2061 G CA 1.128 46.274 45.100 0.076 0.000 0.777 2061 G HN 0.385 nan 8.290 nan 0.000 0.539 2062 A N 0.456 123.523 122.820 0.412 0.000 1.930 2062 A HA 0.140 4.460 4.320 -0.000 0.000 0.217 2062 A C 2.415 180.308 177.584 0.515 0.000 1.175 2062 A CA 1.122 53.414 52.037 0.425 0.000 0.627 2062 A CB -0.336 18.769 19.000 0.176 0.000 0.815 2062 A HN 0.354 nan 8.150 nan 0.000 0.443 2063 L N -0.380 121.141 121.223 0.497 0.000 2.056 2063 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 2063 L C 2.258 179.249 176.870 0.202 0.000 1.078 2063 L CA 0.998 56.051 54.840 0.354 0.000 0.749 2063 L CB -0.571 41.610 42.059 0.203 0.000 0.901 2063 L HN 0.344 nan 8.230 nan 0.000 0.433 2064 N N 0.337 119.119 118.700 0.137 0.000 2.166 2064 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 2064 N C 1.852 177.392 175.510 0.050 0.000 1.019 2064 N CA 1.520 54.605 53.050 0.058 0.000 0.856 2064 N CB -0.222 38.268 38.487 0.004 0.000 0.993 2064 N HN 0.318 nan 8.380 nan 0.000 0.426 2065 A N 0.944 123.805 122.820 0.067 0.000 1.898 2065 A HA 0.059 4.379 4.320 -0.000 0.000 0.216 2065 A C 2.374 180.091 177.584 0.221 0.000 1.181 2065 A CA 1.825 53.865 52.037 0.005 0.000 0.620 2065 A CB -0.803 18.204 19.000 0.012 0.000 0.819 2065 A HN 0.303 nan 8.150 nan 0.000 0.442 2066 A N -0.057 123.030 122.820 0.444 0.000 1.902 2066 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 2066 A C 2.242 180.065 177.584 0.399 0.000 1.181 2066 A CA 1.505 53.904 52.037 0.603 0.000 0.623 2066 A CB -0.488 18.835 19.000 0.538 0.000 0.818 2066 A HN 0.553 nan 8.150 nan 0.000 0.443 2067 R N -0.524 120.095 120.500 0.198 0.000 2.081 2067 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 2067 R C 2.469 178.875 176.300 0.177 0.000 1.131 2067 R CA 1.247 57.420 56.100 0.122 0.000 0.960 2067 R CB -0.496 29.830 30.300 0.044 0.000 0.856 2067 R HN 0.518 nan 8.270 nan 0.000 0.436 2068 A N 1.376 124.269 122.820 0.122 0.000 1.898 2068 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 2068 A C 2.398 180.052 177.584 0.117 0.000 1.181 2068 A CA 1.548 53.626 52.037 0.070 0.000 0.620 2068 A CB -0.560 18.422 19.000 -0.031 0.000 0.819 2068 A HN 0.382 nan 8.150 nan 0.000 0.442 2069 A N -1.550 121.385 122.820 0.192 0.000 1.933 2069 A HA -0.130 4.189 4.320 -0.000 0.000 0.218 2069 A C 2.097 179.926 177.584 0.408 0.000 1.175 2069 A CA 1.645 53.841 52.037 0.265 0.000 0.628 2069 A CB -0.816 18.455 19.000 0.453 0.000 0.814 2069 A HN 0.717 nan 8.150 nan 0.000 0.444 2070 Y N 0.515 121.080 120.300 0.442 0.000 2.207 2070 Y HA -0.230 4.320 4.550 -0.000 0.000 0.287 2070 Y C 2.357 178.375 175.900 0.197 0.000 1.156 2070 Y CA 2.231 60.566 58.100 0.392 0.000 1.182 2070 Y CB -0.025 38.501 38.460 0.111 0.000 0.979 2070 Y HN 0.337 nan 8.280 nan 0.000 0.521 2071 Q N -0.522 119.344 119.800 0.110 0.000 2.269 2071 Q HA 0.072 4.412 4.340 -0.000 0.000 0.201 2071 Q C 2.003 177.987 176.000 -0.028 0.000 0.946 2071 Q CA 1.054 56.849 55.803 -0.014 0.000 0.877 2071 Q CB 0.189 28.958 28.738 0.051 0.000 0.963 2071 Q HN 0.541 nan 8.270 nan 0.000 0.472 2072 L N -0.491 120.739 121.223 0.013 0.000 2.590 2072 L HA 0.294 4.634 4.340 -0.000 0.000 0.227 2072 L C 0.583 177.447 176.870 -0.009 0.000 1.099 2072 L CA 0.073 54.911 54.840 -0.003 0.000 0.872 2072 L CB 0.579 42.637 42.059 -0.002 0.000 1.088 2072 L HN -0.027 nan 8.230 nan 0.000 0.479 2073 I N 0.092 120.662 120.570 -0.000 0.000 2.433 2073 I HA 0.221 4.391 4.170 -0.000 0.000 0.292 2073 I C -0.926 175.157 176.117 -0.057 0.000 1.001 2073 I CA -0.429 60.855 61.300 -0.027 0.000 1.119 2073 I CB 2.035 40.013 38.000 -0.037 0.000 1.289 2073 I HN -0.153 nan 8.210 nan 0.000 0.438 2074 D N 7.067 127.425 120.400 -0.069 0.000 2.464 2074 D HA 0.249 4.889 4.640 -0.000 0.000 0.243 2074 D C 0.804 177.028 176.300 -0.127 0.000 1.104 2074 D CA -0.474 53.478 54.000 -0.079 0.000 0.883 2074 D CB 1.041 41.809 40.800 -0.053 0.000 1.050 2074 D HN 0.310 nan 8.370 nan 0.000 0.524 2075 M N 1.612 121.088 119.600 -0.208 0.000 2.346 2075 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 2075 M C 1.905 177.887 176.300 -0.529 0.000 1.064 2075 M CA 0.758 55.783 55.300 -0.458 0.000 1.083 2075 M CB -1.128 31.082 32.600 -0.651 0.000 1.399 2075 M HN 0.478 nan 8.290 nan 0.000 0.435 2076 S N -0.131 115.475 115.700 -0.157 0.000 2.507 2076 S HA -0.070 4.400 4.470 -0.000 0.000 0.235 2076 S C 1.679 176.271 174.600 -0.014 0.000 0.988 2076 S CA 0.628 58.861 58.200 0.055 0.000 0.944 2076 S CB -0.226 63.058 63.200 0.140 0.000 0.762 2076 S HN 0.571 nan 8.310 nan 0.000 0.526 2077 R N -0.158 120.283 120.500 -0.098 0.000 2.508 2077 R HA 0.256 4.596 4.340 -0.000 0.000 0.300 2077 R C 0.116 176.300 176.300 -0.194 0.000 0.970 2077 R CA -0.263 55.795 56.100 -0.070 0.000 1.102 2077 R CB 0.199 30.492 30.300 -0.012 0.000 1.246 2077 R HN 0.511 nan 8.270 nan 0.000 0.539 2078 H N 1.362 120.165 119.070 -0.446 0.000 2.548 2078 H HA 0.231 4.787 4.556 -0.000 0.000 0.331 2078 H C -0.846 174.032 175.328 -0.750 0.000 1.093 2078 H CA 0.354 56.132 56.048 -0.451 0.000 1.367 2078 H CB 0.641 30.181 29.762 -0.371 0.000 1.455 2078 H HN 0.122 nan 8.280 nan 0.000 0.519 2079 H N 2.218 120.836 119.070 -0.753 0.000 2.974 2079 H HA 0.432 4.988 4.556 -0.000 0.000 0.366 2079 H C -0.328 174.658 175.328 -0.570 0.000 1.155 2079 H CA -0.394 55.383 56.048 -0.452 0.000 1.186 2079 H CB 2.184 31.821 29.762 -0.208 0.000 1.799 2079 H HN 0.929 nan 8.280 nan 0.000 0.541 2080 G N 0.674 109.374 108.800 -0.166 0.000 2.547 2080 G HA2 0.119 4.079 3.960 -0.000 0.000 0.291 2080 G HA3 0.119 4.079 3.960 -0.000 0.000 0.291 2080 G C 0.096 174.968 174.900 -0.047 0.000 1.471 2080 G CA -0.511 44.515 45.100 -0.123 0.000 0.798 2080 G HN 0.371 nan 8.290 nan 0.000 0.504 2081 E N -0.335 119.777 120.200 -0.146 0.000 2.150 2081 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 2081 E C 0.650 177.221 176.600 -0.047 0.000 0.985 2081 E CA 0.622 56.913 56.400 -0.182 0.000 0.814 2081 E CB -0.040 29.325 29.700 -0.558 0.000 0.752 2081 E HN 0.479 nan 8.360 nan 0.000 0.466 2082 H N 1.628 120.629 119.070 -0.114 0.000 2.610 2082 H HA 0.122 4.678 4.556 -0.000 0.000 0.336 2082 H C -2.108 173.309 175.328 0.147 0.000 1.087 2082 H CA -1.975 54.149 56.048 0.127 0.000 1.405 2082 H CB 0.885 30.707 29.762 0.100 0.000 1.460 2082 H HN -0.119 nan 8.280 nan 0.000 0.538 2083 P HA 0.087 nan 4.420 nan 0.000 0.269 2083 P C -0.349 177.092 177.300 0.235 0.000 1.209 2083 P CA 0.034 63.192 63.100 0.097 0.000 0.776 2083 P CB 1.027 32.724 31.700 -0.004 0.000 0.876 2084 R N 3.219 123.809 120.500 0.150 0.000 2.709 2084 R HA 0.394 4.734 4.340 -0.000 0.000 0.270 2084 R C -0.511 175.832 176.300 0.072 0.000 1.038 2084 R CA -0.825 55.330 56.100 0.091 0.000 0.872 2084 R CB 0.247 30.561 30.300 0.024 0.000 1.259 2084 R HN 0.591 nan 8.270 nan 0.000 0.473 2085 M N -1.197 118.427 119.600 0.039 0.000 2.215 2085 M HA 0.489 4.969 4.480 -0.000 0.000 0.391 2085 M C -0.376 175.981 176.300 0.095 0.000 0.914 2085 M CA 0.112 55.487 55.300 0.125 0.000 1.035 2085 M CB 1.853 34.513 32.600 0.100 0.000 1.944 2085 M HN 0.644 nan 8.290 nan 0.000 0.656 2086 G N 0.036 108.773 108.800 -0.104 0.000 2.690 2086 G HA2 0.672 4.632 3.960 -0.000 0.000 0.293 2086 G HA3 0.672 4.632 3.960 -0.000 0.000 0.293 2086 G C 0.258 174.813 174.900 -0.576 0.000 1.399 2086 G CA -0.242 44.669 45.100 -0.315 0.000 0.890 2086 G HN 0.136 nan 8.290 nan 0.000 0.485 2087 A N 0.538 122.782 122.820 -0.961 0.000 1.883 2087 A HA 0.063 4.383 4.320 -0.000 0.000 0.217 2087 A C 1.270 178.442 177.584 -0.686 0.000 1.186 2087 A CA 1.056 52.584 52.037 -0.848 0.000 0.624 2087 A CB -0.451 17.906 19.000 -1.071 0.000 0.822 2087 A HN 0.825 nan 8.150 nan 0.000 0.444 2088 L N 0.005 120.663 121.223 -0.943 0.000 2.283 2088 L HA 0.272 4.612 4.340 -0.000 0.000 0.281 2088 L C 0.326 176.932 176.870 -0.440 0.000 1.033 2088 L CA -0.359 54.042 54.840 -0.732 0.000 0.848 2088 L CB 1.084 42.933 42.059 -0.350 0.000 1.226 2088 L HN 0.349 nan 8.230 nan 0.000 0.429 2089 D N 2.639 122.808 120.400 -0.385 0.000 2.091 2089 D HA -0.048 4.592 4.640 -0.000 0.000 0.199 2089 D C 0.027 176.247 176.300 -0.134 0.000 0.980 2089 D CA 1.098 54.971 54.000 -0.212 0.000 0.831 2089 D CB 0.551 41.245 40.800 -0.177 0.000 0.987 2089 D HN 0.220 nan 8.370 nan 0.000 0.460 2090 V N -0.490 119.319 119.914 -0.175 0.000 2.808 2090 V HA 0.411 4.531 4.120 -0.000 0.000 0.308 2090 V C -1.751 174.253 176.094 -0.150 0.000 1.099 2090 V CA -0.941 61.271 62.300 -0.147 0.000 0.920 2090 V CB 1.762 33.459 31.823 -0.210 0.000 1.014 2090 V HN 0.220 nan 8.190 nan 0.000 0.425 2091 C N 9.813 129.059 119.300 -0.090 0.000 2.437 2091 C HA 0.730 5.190 4.460 -0.000 0.000 0.307 2091 C C -2.808 172.032 174.990 -0.250 0.000 1.093 2091 C CA -1.290 57.567 59.018 -0.269 0.000 1.463 2091 C CB 1.034 28.509 27.740 -0.441 0.000 1.926 2091 C HN 0.823 nan 8.230 nan 0.000 0.420 2092 P HA 0.496 nan 4.420 nan 0.000 0.293 2092 P C -1.270 175.713 177.300 -0.529 0.000 1.291 2092 P CA -0.381 62.631 63.100 -0.147 0.000 0.867 2092 P CB 1.387 33.118 31.700 0.052 0.000 1.074 2093 F N 2.207 122.105 119.950 -0.087 0.000 2.449 2093 F HA 0.455 4.982 4.527 -0.000 0.000 0.342 2093 F C 0.281 175.997 175.800 -0.141 0.000 1.127 2093 F CA -0.658 57.262 58.000 -0.133 0.000 0.975 2093 F CB 1.410 40.346 39.000 -0.106 0.000 1.146 2093 F HN 0.047 nan 8.300 nan 0.000 0.444 2094 I N 5.455 125.989 120.570 -0.059 0.000 2.465 2094 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 2094 I C -2.391 173.609 176.117 -0.195 0.000 1.014 2094 I CA -2.491 58.698 61.300 -0.184 0.000 1.093 2094 I CB 1.858 39.649 38.000 -0.349 0.000 1.267 2094 I HN 0.267 nan 8.210 nan 0.000 0.431 2095 P HA 0.120 nan 4.420 nan 0.000 0.276 2095 P C 0.100 177.288 177.300 -0.185 0.000 1.243 2095 P CA 0.047 63.065 63.100 -0.137 0.000 0.768 2095 P CB 1.898 33.538 31.700 -0.100 0.000 0.856 2096 V N 3.809 123.675 119.914 -0.080 0.000 2.911 2096 V HA 0.235 4.355 4.120 -0.000 0.000 0.237 2096 V C 1.163 177.289 176.094 0.054 0.000 1.156 2096 V CA 0.912 63.216 62.300 0.007 0.000 1.180 2096 V CB -0.154 31.717 31.823 0.080 0.000 0.932 2096 V HN 0.574 nan 8.190 nan 0.000 0.483 2097 R N -0.842 119.680 120.500 0.036 0.000 2.535 2097 R HA 0.471 4.811 4.340 -0.000 0.000 0.274 2097 R C 0.460 176.776 176.300 0.026 0.000 1.090 2097 R CA 0.301 56.426 56.100 0.041 0.000 0.930 2097 R CB 1.613 31.945 30.300 0.054 0.000 1.223 2097 R HN 0.418 nan 8.270 nan 0.000 0.441 2098 G N 1.590 110.403 108.800 0.022 0.000 2.233 2098 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.270 2098 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.270 2098 G C -0.550 174.354 174.900 0.008 0.000 1.011 2098 G CA 0.685 45.794 45.100 0.015 0.000 0.762 2098 G HN 0.431 nan 8.290 nan 0.000 0.511 2099 V N 0.292 120.206 119.914 0.001 0.000 2.760 2099 V HA 0.739 4.859 4.120 -0.000 0.000 0.309 2099 V C 0.607 176.690 176.094 -0.017 0.000 1.077 2099 V CA -0.286 62.009 62.300 -0.008 0.000 0.910 2099 V CB 2.000 33.817 31.823 -0.010 0.000 1.008 2099 V HN 0.731 nan 8.190 nan 0.000 0.424 2100 T N 1.223 115.766 114.554 -0.019 0.000 2.899 2100 T HA 0.388 4.738 4.350 -0.000 0.000 0.284 2100 T C 0.927 175.608 174.700 -0.032 0.000 1.004 2100 T CA -0.380 61.706 62.100 -0.023 0.000 1.043 2100 T CB 1.164 70.020 68.868 -0.019 0.000 1.013 2100 T HN 0.508 nan 8.240 nan 0.000 0.518 2101 M N 0.850 120.428 119.600 -0.036 0.000 2.213 2101 M HA -0.064 4.416 4.480 -0.000 0.000 0.263 2101 M C 1.830 178.110 176.300 -0.034 0.000 1.062 2101 M CA 1.571 56.845 55.300 -0.043 0.000 1.105 2101 M CB -1.083 31.489 32.600 -0.047 0.000 1.385 2101 M HN 0.872 nan 8.290 nan 0.000 0.417 2102 D N -0.180 120.203 120.400 -0.028 0.000 2.117 2102 D HA -0.205 4.435 4.640 -0.000 0.000 0.197 2102 D C 1.537 177.820 176.300 -0.027 0.000 0.987 2102 D CA 1.491 55.477 54.000 -0.023 0.000 0.829 2102 D CB -0.031 40.758 40.800 -0.019 0.000 0.961 2102 D HN 0.601 nan 8.370 nan 0.000 0.460 2103 E N -0.369 119.812 120.200 -0.031 0.000 2.106 2103 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 2103 E C 2.496 179.059 176.600 -0.060 0.000 0.984 2103 E CA 0.768 57.145 56.400 -0.039 0.000 0.806 2103 E CB -0.051 29.630 29.700 -0.032 0.000 0.750 2103 E HN 0.352 nan 8.360 nan 0.000 0.458 2104 C N 0.422 119.692 119.300 -0.049 0.000 2.435 2104 C HA -0.052 4.408 4.460 -0.000 0.000 0.279 2104 C C 2.715 177.667 174.990 -0.063 0.000 1.321 2104 C CA 0.158 59.146 59.018 -0.050 0.000 1.752 2104 C CB -0.564 27.176 27.740 -0.001 0.000 1.959 2104 C HN 0.253 nan 8.230 nan 0.000 0.500 2105 V N 0.852 120.745 119.914 -0.036 0.000 2.343 2105 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 2105 V C 2.534 178.612 176.094 -0.026 0.000 1.051 2105 V CA 1.830 64.123 62.300 -0.012 0.000 1.036 2105 V CB -0.591 31.230 31.823 -0.003 0.000 0.654 2105 V HN 0.505 nan 8.190 nan 0.000 0.451 2106 R N -0.994 119.476 120.500 -0.049 0.000 2.096 2106 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 2106 R C 2.321 178.546 176.300 -0.126 0.000 1.127 2106 R CA 1.728 57.794 56.100 -0.056 0.000 0.968 2106 R CB -0.728 29.542 30.300 -0.050 0.000 0.861 2106 R HN 0.472 nan 8.270 nan 0.000 0.440 2107 C N -0.018 119.141 119.300 -0.235 0.000 2.446 2107 C HA -0.029 4.431 4.460 -0.000 0.000 0.277 2107 C C 2.920 177.559 174.990 -0.584 0.000 1.275 2107 C CA 0.732 59.464 59.018 -0.478 0.000 1.727 2107 C CB -0.922 26.374 27.740 -0.740 0.000 2.010 2107 C HN 0.602 nan 8.230 nan 0.000 0.486 2108 A N 0.225 122.806 122.820 -0.398 0.000 1.902 2108 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 2108 A C 2.072 179.727 177.584 0.119 0.000 1.181 2108 A CA 1.726 53.758 52.037 -0.008 0.000 0.623 2108 A CB -0.610 18.514 19.000 0.207 0.000 0.818 2108 A HN 0.762 nan 8.150 nan 0.000 0.443 2109 Q N -0.609 119.229 119.800 0.064 0.000 2.079 2109 Q HA -0.058 4.282 4.340 -0.000 0.000 0.200 2109 Q C 2.444 178.338 176.000 -0.177 0.000 0.974 2109 Q CA 1.348 57.206 55.803 0.091 0.000 0.840 2109 Q CB -0.398 28.437 28.738 0.162 0.000 0.898 2109 Q HN 0.672 nan 8.270 nan 0.000 0.430 2110 A N 0.777 123.517 122.820 -0.134 0.000 1.877 2110 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 2110 A C 1.908 179.383 177.584 -0.181 0.000 1.186 2110 A CA 1.252 53.190 52.037 -0.165 0.000 0.620 2110 A CB -0.828 18.104 19.000 -0.114 0.000 0.822 2110 A HN 0.459 nan 8.150 nan 0.000 0.443 2111 F N 1.222 121.045 119.950 -0.212 0.000 2.102 2111 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 2111 F C 2.287 178.007 175.800 -0.134 0.000 1.105 2111 F CA 1.721 59.667 58.000 -0.089 0.000 1.239 2111 F CB -0.784 38.272 39.000 0.093 0.000 0.991 2111 F HN 0.189 nan 8.300 nan 0.000 0.474 2112 G N -0.493 108.154 108.800 -0.254 0.000 2.421 2112 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.216 2112 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.216 2112 G C 1.556 175.946 174.900 -0.850 0.000 1.171 2112 G CA 0.809 45.654 45.100 -0.425 0.000 0.775 2112 G HN 0.509 nan 8.290 nan 0.000 0.543 2113 Q N -0.102 118.914 119.800 -1.307 0.000 2.050 2113 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 2113 Q C 2.758 178.461 176.000 -0.496 0.000 0.980 2113 Q CA 1.106 56.290 55.803 -1.031 0.000 0.840 2113 Q CB -0.106 28.159 28.738 -0.787 0.000 0.898 2113 Q HN 0.411 nan 8.270 nan 0.000 0.424 2114 R N -0.063 120.172 120.500 -0.442 0.000 2.092 2114 R HA -0.132 4.208 4.340 -0.000 0.000 0.231 2114 R C 2.428 178.504 176.300 -0.374 0.000 1.119 2114 R CA 1.066 56.969 56.100 -0.328 0.000 0.970 2114 R CB -0.368 29.779 30.300 -0.255 0.000 0.864 2114 R HN 0.281 nan 8.270 nan 0.000 0.440 2115 L N 0.842 121.745 121.223 -0.533 0.000 2.017 2115 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 2115 L C 2.279 178.907 176.870 -0.404 0.000 1.073 2115 L CA 1.980 56.501 54.840 -0.531 0.000 0.745 2115 L CB -0.581 41.037 42.059 -0.734 0.000 0.894 2115 L HN 0.097 nan 8.230 nan 0.000 0.432 2116 A N -0.767 121.861 122.820 -0.321 0.000 1.902 2116 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 2116 A C 2.140 179.603 177.584 -0.202 0.000 1.181 2116 A CA 1.812 53.725 52.037 -0.207 0.000 0.623 2116 A CB -0.648 18.311 19.000 -0.068 0.000 0.818 2116 A HN 0.626 nan 8.150 nan 0.000 0.443 2117 E N -0.234 119.846 120.200 -0.200 0.000 2.051 2117 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 2117 E C 2.059 178.543 176.600 -0.194 0.000 0.991 2117 E CA 1.400 57.702 56.400 -0.164 0.000 0.799 2117 E CB -0.222 29.389 29.700 -0.148 0.000 0.748 2117 E HN 0.724 nan 8.360 nan 0.000 0.449 2118 E N 0.523 120.578 120.200 -0.243 0.000 2.047 2118 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 2118 E C 2.113 178.499 176.600 -0.357 0.000 0.987 2118 E CA 0.845 57.087 56.400 -0.265 0.000 0.799 2118 E CB 0.036 29.575 29.700 -0.267 0.000 0.752 2118 E HN 0.254 nan 8.360 nan 0.000 0.449 2119 L N -0.662 120.277 121.223 -0.474 0.000 2.529 2119 L HA 0.207 4.546 4.340 -0.000 0.000 0.223 2119 L C 1.180 177.781 176.870 -0.449 0.000 1.113 2119 L CA 0.270 54.710 54.840 -0.667 0.000 0.861 2119 L CB 0.063 41.521 42.059 -1.001 0.000 1.012 2119 L HN 0.232 nan 8.230 nan 0.000 0.461 2120 G N 1.857 110.476 108.800 -0.302 0.000 2.272 2120 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.280 2120 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.280 2120 G C 0.022 174.833 174.900 -0.148 0.000 1.067 2120 G CA 0.365 45.358 45.100 -0.179 0.000 0.902 2120 G HN 0.279 nan 8.290 nan 0.000 0.500 2121 V N -3.154 116.645 119.914 -0.191 0.000 2.960 2121 V HA 0.973 5.093 4.120 -0.000 0.000 0.315 2121 V C -2.162 173.927 176.094 -0.009 0.000 1.087 2121 V CA -2.728 59.514 62.300 -0.096 0.000 0.982 2121 V CB 2.396 34.071 31.823 -0.247 0.000 1.039 2121 V HN 0.143 nan 8.190 nan 0.000 0.437 2122 P HA 0.367 nan 4.420 nan 0.000 0.281 2122 P C -0.898 176.433 177.300 0.051 0.000 1.252 2122 P CA -0.077 63.042 63.100 0.031 0.000 0.778 2122 P CB 1.575 33.324 31.700 0.081 0.000 0.895 2123 V N 4.969 124.852 119.914 -0.052 0.000 2.588 2123 V HA 0.360 4.480 4.120 -0.000 0.000 0.304 2123 V C -0.606 175.452 176.094 -0.060 0.000 1.042 2123 V CA -0.543 61.812 62.300 0.093 0.000 0.877 2123 V CB 1.452 33.406 31.823 0.219 0.000 0.996 2123 V HN 0.407 nan 8.190 nan 0.000 0.425 2124 Y N 3.827 124.294 120.300 0.277 0.000 2.409 2124 Y HA 0.669 5.219 4.550 -0.000 0.000 0.339 2124 Y C 0.011 176.083 175.900 0.288 0.000 1.033 2124 Y CA -0.795 57.449 58.100 0.241 0.000 1.094 2124 Y CB 1.744 40.344 38.460 0.233 0.000 1.210 2124 Y HN 0.403 nan 8.280 nan 0.000 0.456 2125 L N 4.342 125.801 121.223 0.392 0.000 2.295 2125 L HA 0.458 4.798 4.340 -0.000 0.000 0.285 2125 L C -0.635 176.466 176.870 0.386 0.000 1.035 2125 L CA -0.806 54.261 54.840 0.379 0.000 0.806 2125 L CB 0.790 43.008 42.059 0.264 0.000 1.214 2125 L HN 0.735 nan 8.230 nan 0.000 0.426 2126 Y N 1.621 122.031 120.300 0.183 0.000 2.773 2126 Y HA 0.859 5.409 4.550 -0.000 0.000 0.323 2126 Y C 0.743 176.706 175.900 0.105 0.000 1.183 2126 Y CA -0.242 57.938 58.100 0.133 0.000 1.144 2126 Y CB 1.172 39.712 38.460 0.132 0.000 1.340 2126 Y HN 0.709 nan 8.280 nan 0.000 0.531 2127 G N 1.177 109.773 108.800 -0.339 0.000 2.574 2127 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.286 2127 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.286 2127 G C 0.544 175.327 174.900 -0.196 0.000 1.212 2127 G CA 0.613 45.448 45.100 -0.442 0.000 0.979 2127 G HN 0.760 nan 8.290 nan 0.000 0.557 2128 E N 0.793 120.882 120.200 -0.186 0.000 2.409 2128 E HA 0.089 4.439 4.350 -0.000 0.000 0.198 2128 E C 2.550 179.120 176.600 -0.050 0.000 1.024 2128 E CA 1.278 57.622 56.400 -0.093 0.000 0.861 2128 E CB -0.298 29.352 29.700 -0.083 0.000 0.788 2128 E HN 0.841 nan 8.360 nan 0.000 0.521 2129 A N 0.772 123.566 122.820 -0.043 0.000 2.275 2129 A HA 0.365 4.685 4.320 -0.000 0.000 0.212 2129 A C 1.218 178.837 177.584 0.058 0.000 1.201 2129 A CA 0.329 52.384 52.037 0.030 0.000 0.843 2129 A CB 0.078 19.131 19.000 0.088 0.000 0.873 2129 A HN 0.126 nan 8.150 nan 0.000 0.492 2130 A N 0.250 123.094 122.820 0.041 0.000 2.511 2130 A HA 0.351 4.671 4.320 -0.000 0.000 0.242 2130 A C 1.214 178.818 177.584 0.033 0.000 1.069 2130 A CA -0.287 51.788 52.037 0.064 0.000 0.763 2130 A CB 0.190 19.226 19.000 0.059 0.000 1.001 2130 A HN 0.367 nan 8.150 nan 0.000 0.498 2131 R N 0.560 121.077 120.500 0.027 0.000 2.210 2131 R HA 0.027 4.367 4.340 -0.000 0.000 0.203 2131 R C 0.467 176.761 176.300 -0.010 0.000 1.010 2131 R CA 1.428 57.527 56.100 -0.002 0.000 1.008 2131 R CB -0.323 29.962 30.300 -0.026 0.000 0.923 2131 R HN 0.918 nan 8.270 nan 0.000 0.469 2132 T N -4.709 109.841 114.554 -0.006 0.000 2.903 2132 T HA 0.576 4.926 4.350 -0.000 0.000 0.299 2132 T C 0.912 175.605 174.700 -0.012 0.000 1.093 2132 T CA -0.298 61.790 62.100 -0.020 0.000 1.002 2132 T CB 2.261 71.104 68.868 -0.042 0.000 1.127 2132 T HN -0.051 nan 8.240 nan 0.000 0.488 2133 A N 1.275 124.085 122.820 -0.018 0.000 1.978 2133 A HA 0.173 4.493 4.320 -0.000 0.000 0.220 2133 A C 2.308 179.887 177.584 -0.010 0.000 1.170 2133 A CA 1.916 53.947 52.037 -0.010 0.000 0.636 2133 A CB -1.523 17.468 19.000 -0.014 0.000 0.810 2133 A HN 1.245 nan 8.150 nan 0.000 0.448 2134 G N -1.074 107.705 108.800 -0.034 0.000 2.509 2134 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.218 2134 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.218 2134 G C 1.504 176.382 174.900 -0.037 0.000 1.124 2134 G CA 0.544 45.612 45.100 -0.053 0.000 0.776 2134 G HN 0.573 nan 8.290 nan 0.000 0.547 2135 R N -0.566 119.933 120.500 -0.001 0.000 2.432 2135 R HA 0.200 4.540 4.340 -0.000 0.000 0.260 2135 R C 2.026 178.408 176.300 0.137 0.000 0.935 2135 R CA -0.063 56.075 56.100 0.064 0.000 1.080 2135 R CB 0.112 30.464 30.300 0.087 0.000 1.155 2135 R HN 0.392 nan 8.270 nan 0.000 0.531 2136 Q N 0.946 120.804 119.800 0.096 0.000 2.079 2136 Q HA -0.033 4.307 4.340 -0.000 0.000 0.200 2136 Q C 0.536 176.648 176.000 0.187 0.000 0.974 2136 Q CA 1.032 56.897 55.803 0.104 0.000 0.840 2136 Q CB 0.224 28.990 28.738 0.047 0.000 0.898 2136 Q HN 0.069 nan 8.270 nan 0.000 0.430 2137 S N -0.005 115.790 115.700 0.159 0.000 2.499 2137 S HA 0.076 4.546 4.470 -0.000 0.000 0.275 2137 S C 0.847 175.560 174.600 0.187 0.000 1.257 2137 S CA -0.615 57.690 58.200 0.176 0.000 1.050 2137 S CB 1.014 64.277 63.200 0.105 0.000 0.937 2137 S HN 0.425 nan 8.310 nan 0.000 0.490 2138 L N 7.500 128.841 121.223 0.198 0.000 2.017 2138 L HA 0.209 4.549 4.340 -0.000 0.000 0.208 2138 L C -1.195 175.700 176.870 0.042 0.000 1.073 2138 L CA 1.813 56.669 54.840 0.026 0.000 0.745 2138 L CB -1.424 40.569 42.059 -0.110 0.000 0.894 2138 L HN 0.503 nan 8.230 nan 0.000 0.432 2139 P HA -0.141 nan 4.420 nan 0.000 0.216 2139 P C 1.561 178.904 177.300 0.073 0.000 1.150 2139 P CA 1.951 65.087 63.100 0.060 0.000 0.837 2139 P CB -0.177 31.557 31.700 0.058 0.000 0.786 2140 A N -0.662 122.212 122.820 0.090 0.000 1.877 2140 A HA -0.162 4.157 4.320 -0.000 0.000 0.216 2140 A C 2.182 179.881 177.584 0.192 0.000 1.186 2140 A CA 1.425 53.534 52.037 0.120 0.000 0.620 2140 A CB -1.631 17.425 19.000 0.093 0.000 0.822 2140 A HN 0.112 nan 8.150 nan 0.000 0.443 2141 L N -1.432 119.883 121.223 0.152 0.000 2.093 2141 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 2141 L C 2.705 179.606 176.870 0.052 0.000 1.085 2141 L CA 1.528 56.471 54.840 0.172 0.000 0.755 2141 L CB -0.284 41.803 42.059 0.048 0.000 0.904 2141 L HN 0.389 nan 8.230 nan 0.000 0.435 2142 R N 0.577 121.092 120.500 0.023 0.000 2.299 2142 R HA 0.140 4.480 4.340 -0.000 0.000 0.197 2142 R C 0.814 177.101 176.300 -0.022 0.000 0.971 2142 R CA 0.197 56.289 56.100 -0.013 0.000 1.030 2142 R CB 0.097 30.406 30.300 0.014 0.000 0.932 2142 R HN 0.223 nan 8.270 nan 0.000 0.477 2143 A N 0.350 123.173 122.820 0.005 0.000 2.561 2143 A HA 0.322 4.642 4.320 -0.000 0.000 0.251 2143 A C 1.173 178.712 177.584 -0.076 0.000 1.062 2143 A CA 0.910 52.947 52.037 0.000 0.000 0.761 2143 A CB -0.445 18.592 19.000 0.062 0.000 0.986 2143 A HN 0.596 nan 8.150 nan 0.000 0.510 2144 G N 1.310 110.081 108.800 -0.048 0.000 2.234 2144 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.235 2144 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.235 2144 G C 0.242 175.110 174.900 -0.054 0.000 0.997 2144 G CA 0.592 45.647 45.100 -0.074 0.000 0.623 2144 G HN 1.433 nan 8.290 nan 0.000 0.514 2145 E N -2.696 117.482 120.200 -0.037 0.000 4.788 2145 E HA -0.364 3.986 4.350 -0.000 0.000 0.194 2145 E C 0.659 177.290 176.600 0.052 0.000 1.477 2145 E CA 0.913 57.331 56.400 0.029 0.000 2.443 2145 E CB -1.082 28.669 29.700 0.084 0.000 2.075 2145 E HN 0.903 nan 8.360 nan 0.000 0.466 2146 Y N 1.519 121.823 120.300 0.008 0.000 2.151 2146 Y HA -0.243 4.307 4.550 -0.000 0.000 0.284 2146 Y C 2.184 178.105 175.900 0.035 0.000 1.166 2146 Y CA 2.717 60.849 58.100 0.052 0.000 1.163 2146 Y CB -0.200 38.301 38.460 0.069 0.000 0.974 2146 Y HN 0.459 nan 8.280 nan 0.000 0.511 2147 E N 0.138 120.351 120.200 0.022 0.000 2.209 2147 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 2147 E C 2.027 178.489 176.600 -0.229 0.000 0.993 2147 E CA 1.214 57.547 56.400 -0.111 0.000 0.819 2147 E CB -0.391 29.323 29.700 0.023 0.000 0.745 2147 E HN 0.557 nan 8.360 nan 0.000 0.477 2148 A N -0.147 122.548 122.820 -0.209 0.000 2.238 2148 A HA 0.127 4.447 4.320 -0.000 0.000 0.210 2148 A C 1.836 179.216 177.584 -0.339 0.000 1.179 2148 A CA -0.050 51.834 52.037 -0.257 0.000 0.827 2148 A CB -0.204 18.656 19.000 -0.233 0.000 0.856 2148 A HN 0.155 nan 8.150 nan 0.000 0.488 2149 L N -0.150 120.865 121.223 -0.347 0.000 2.012 2149 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 2149 L C -0.461 176.196 176.870 -0.355 0.000 1.073 2149 L CA 1.716 56.383 54.840 -0.289 0.000 0.748 2149 L CB -1.442 40.569 42.059 -0.079 0.000 0.891 2149 L HN 0.217 nan 8.230 nan 0.000 0.431 2150 P HA -0.192 nan 4.420 nan 0.000 0.216 2150 P C 1.349 178.482 177.300 -0.278 0.000 1.153 2150 P CA 1.334 64.087 63.100 -0.578 0.000 0.858 2150 P CB 0.027 31.269 31.700 -0.764 0.000 0.789 2151 E N -0.264 119.778 120.200 -0.263 0.000 2.072 2151 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 2151 E C 1.839 178.352 176.600 -0.144 0.000 0.982 2151 E CA 1.103 57.401 56.400 -0.168 0.000 0.803 2151 E CB -0.423 29.182 29.700 -0.159 0.000 0.755 2151 E HN 0.355 nan 8.360 nan 0.000 0.453 2152 K N 0.689 120.939 120.400 -0.250 0.000 2.097 2152 K HA -0.029 4.291 4.320 -0.000 0.000 0.206 2152 K C 2.207 178.785 176.600 -0.037 0.000 1.049 2152 K CA 0.743 56.826 56.287 -0.339 0.000 0.933 2152 K CB -0.174 31.826 32.500 -0.832 0.000 0.717 2152 K HN 0.062 nan 8.250 nan 0.000 0.442 2153 L N 1.008 122.230 121.223 -0.002 0.000 2.549 2153 L HA -0.118 4.222 4.340 -0.000 0.000 0.229 2153 L C 1.480 178.414 176.870 0.107 0.000 1.158 2153 L CA 0.949 55.859 54.840 0.117 0.000 0.842 2153 L CB -0.160 41.973 42.059 0.122 0.000 0.952 2153 L HN 0.105 nan 8.230 nan 0.000 0.452 2154 K N -0.287 120.153 120.400 0.067 0.000 2.387 2154 K HA 0.132 4.452 4.320 -0.000 0.000 0.198 2154 K C -0.032 176.623 176.600 0.091 0.000 1.022 2154 K CA 0.043 56.368 56.287 0.063 0.000 1.128 2154 K CB 0.372 32.888 32.500 0.025 0.000 0.853 2154 K HN 0.367 nan 8.250 nan 0.000 0.523 2155 Q N -0.400 119.490 119.800 0.151 0.000 2.316 2155 Q HA 0.373 4.713 4.340 -0.000 0.000 0.264 2155 Q C 0.453 176.566 176.000 0.188 0.000 0.987 2155 Q CA -0.445 55.467 55.803 0.181 0.000 0.852 2155 Q CB 1.876 30.780 28.738 0.276 0.000 1.287 2155 Q HN 0.043 nan 8.270 nan 0.000 0.448 2156 A N 2.710 125.598 122.820 0.113 0.000 1.940 2156 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 2156 A C 1.851 179.469 177.584 0.057 0.000 1.176 2156 A CA 2.129 54.212 52.037 0.077 0.000 0.631 2156 A CB -0.511 18.512 19.000 0.040 0.000 0.814 2156 A HN 0.950 nan 8.150 nan 0.000 0.446 2157 E N -2.018 118.194 120.200 0.020 0.000 2.265 2157 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 2157 E C 1.193 177.657 176.600 -0.227 0.000 0.996 2157 E CA 1.149 57.470 56.400 -0.132 0.000 0.832 2157 E CB -0.371 29.198 29.700 -0.219 0.000 0.756 2157 E HN 0.821 nan 8.360 nan 0.000 0.491 2158 W N 1.334 122.692 121.300 0.098 0.000 3.239 2158 W HA 0.474 5.134 4.660 -0.000 0.000 0.368 2158 W C 0.181 176.852 176.519 0.252 0.000 1.154 2158 W CA -0.342 57.113 57.345 0.184 0.000 1.860 2158 W CB 0.468 30.013 29.460 0.141 0.000 1.094 2158 W HN 0.037 nan 8.180 nan 0.000 0.643 2159 A N 3.594 126.573 122.820 0.264 0.000 2.545 2159 A HA 0.112 4.432 4.320 -0.000 0.000 0.253 2159 A C -1.665 175.970 177.584 0.085 0.000 1.074 2159 A CA -0.850 51.276 52.037 0.148 0.000 0.760 2159 A CB -0.482 18.553 19.000 0.060 0.000 1.005 2159 A HN -0.014 nan 8.150 nan 0.000 0.506 2160 P HA 0.055 nan 4.420 nan 0.000 0.269 2160 P C -0.064 177.062 177.300 -0.290 0.000 1.215 2160 P CA -0.228 62.601 63.100 -0.450 0.000 0.780 2160 P CB 0.769 32.169 31.700 -0.500 0.000 0.898 2161 D N 0.380 120.575 120.400 -0.341 0.000 2.178 2161 D HA -0.030 4.610 4.640 -0.000 0.000 0.202 2161 D C 0.304 176.157 176.300 -0.746 0.000 0.974 2161 D CA 1.630 55.346 54.000 -0.473 0.000 0.841 2161 D CB 0.041 40.581 40.800 -0.434 0.000 0.953 2161 D HN 0.379 nan 8.370 nan 0.000 0.478 2162 F N -1.018 118.870 119.950 -0.104 0.000 2.599 2162 F HA 0.482 5.009 4.527 -0.000 0.000 0.311 2162 F C 0.795 176.528 175.800 -0.111 0.000 1.076 2162 F CA -0.613 57.334 58.000 -0.088 0.000 0.937 2162 F CB 2.355 41.310 39.000 -0.075 0.000 1.282 2162 F HN -0.010 nan 8.300 nan 0.000 0.460 2163 G N 1.939 110.805 108.800 0.109 0.000 2.795 2163 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.664 2163 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.664 2163 G C -3.221 171.678 174.900 -0.001 0.000 1.381 2163 G CA -1.293 43.819 45.100 0.019 0.000 0.853 2163 G HN 0.505 nan 8.290 nan 0.000 0.545 2164 P HA 0.413 nan 4.420 nan 0.000 0.277 2164 P C 0.125 177.445 177.300 0.033 0.000 1.240 2164 P CA -0.263 62.845 63.100 0.012 0.000 0.798 2164 P CB 1.295 33.001 31.700 0.010 0.000 0.979 2165 S N 0.314 116.044 115.700 0.049 0.000 3.456 2165 S HA 0.369 4.839 4.470 -0.000 0.000 0.229 2165 S C 0.596 175.260 174.600 0.106 0.000 1.416 2165 S CA -0.361 57.890 58.200 0.085 0.000 1.197 2165 S CB -0.940 62.312 63.200 0.088 0.000 1.201 2165 S HN 0.626 nan 8.310 nan 0.000 0.479 2166 A N 1.355 124.240 122.820 0.109 0.000 2.325 2166 A HA 0.747 5.067 4.320 -0.000 0.000 0.333 2166 A C -0.704 177.002 177.584 0.204 0.000 1.155 2166 A CA -0.641 51.475 52.037 0.133 0.000 0.814 2166 A CB 0.572 19.624 19.000 0.085 0.000 1.206 2166 A HN 0.423 nan 8.150 nan 0.000 0.482 2167 F N 3.133 123.117 119.950 0.056 0.000 2.404 2167 F HA 0.507 5.034 4.527 -0.000 0.000 0.358 2167 F C -0.461 175.394 175.800 0.092 0.000 1.120 2167 F CA -0.732 57.303 58.000 0.058 0.000 1.144 2167 F CB 1.012 40.015 39.000 0.006 0.000 1.133 2167 F HN 0.193 nan 8.300 nan 0.000 0.495 2168 V N 10.333 130.047 119.914 -0.334 0.000 2.277 2168 V HA 0.195 4.315 4.120 -0.000 0.000 0.269 2168 V C -1.592 174.211 176.094 -0.484 0.000 1.036 2168 V CA -1.391 60.756 62.300 -0.255 0.000 0.821 2168 V CB 1.006 32.849 31.823 0.033 0.000 1.052 2168 V HN 0.647 nan 8.190 nan 0.000 0.462 2169 P HA -0.243 nan 4.420 nan 0.000 0.217 2169 P C 1.880 179.169 177.300 -0.018 0.000 1.158 2169 P CA 2.106 64.968 63.100 -0.396 0.000 0.887 2169 P CB 0.170 31.786 31.700 -0.139 0.000 0.792 2170 S N -3.082 112.615 115.700 -0.005 0.000 2.453 2170 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 2170 S C 1.821 176.488 174.600 0.113 0.000 1.005 2170 S CA 0.283 58.494 58.200 0.018 0.000 0.949 2170 S CB -1.028 62.140 63.200 -0.053 0.000 0.774 2170 S HN 0.347 nan 8.310 nan 0.000 0.510 2171 W N 1.940 123.242 121.300 0.003 0.000 3.178 2171 W HA 0.365 5.025 4.660 -0.000 0.000 0.241 2171 W C 1.096 177.691 176.519 0.127 0.000 1.122 2171 W CA 0.790 58.181 57.345 0.078 0.000 1.595 2171 W CB 0.275 29.839 29.460 0.174 0.000 0.918 2171 W HN 0.485 nan 8.180 nan 0.000 0.700 2172 G N 1.708 110.731 108.800 0.370 0.000 2.509 2172 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.256 2172 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.256 2172 G C -0.528 174.643 174.900 0.452 0.000 1.152 2172 G CA 0.362 45.711 45.100 0.414 0.000 0.951 2172 G HN 0.916 nan 8.290 nan 0.000 0.559 2173 A N -1.334 121.702 122.820 0.360 0.000 2.475 2173 A HA 0.879 5.198 4.320 -0.000 0.000 0.301 2173 A C -0.226 177.572 177.584 0.356 0.000 1.059 2173 A CA 0.801 53.098 52.037 0.433 0.000 0.710 2173 A CB 1.887 21.174 19.000 0.478 0.000 1.288 2173 A HN 1.475 nan 8.150 nan 0.000 0.408 2174 T N 0.946 115.775 114.554 0.458 0.000 2.855 2174 T HA 0.575 4.925 4.350 -0.000 0.000 0.281 2174 T C -0.647 174.280 174.700 0.377 0.000 1.007 2174 T CA -0.316 62.011 62.100 0.379 0.000 1.009 2174 T CB 1.416 70.597 68.868 0.522 0.000 0.983 2174 T HN 0.515 nan 8.240 nan 0.000 0.455 2175 V N 2.318 122.387 119.914 0.259 0.000 2.459 2175 V HA 0.819 4.939 4.120 -0.000 0.000 0.295 2175 V C -0.013 176.240 176.094 0.265 0.000 1.029 2175 V CA -0.715 61.729 62.300 0.240 0.000 0.874 2175 V CB 1.284 33.100 31.823 -0.012 0.000 0.985 2175 V HN 1.090 nan 8.190 nan 0.000 0.438 2176 A N 3.348 126.430 122.820 0.435 0.000 2.401 2176 A HA 1.055 5.375 4.320 -0.000 0.000 0.310 2176 A C 0.019 177.974 177.584 0.618 0.000 1.075 2176 A CA 0.044 52.394 52.037 0.521 0.000 0.746 2176 A CB 2.096 21.500 19.000 0.673 0.000 1.277 2176 A HN 1.376 nan 8.150 nan 0.000 0.425 2177 G N -1.037 108.104 108.800 0.569 0.000 2.428 2177 G HA2 0.748 4.708 3.960 -0.000 0.000 0.304 2177 G HA3 0.748 4.708 3.960 -0.000 0.000 0.304 2177 G C -1.110 173.897 174.900 0.179 0.000 1.303 2177 G CA 0.271 45.555 45.100 0.306 0.000 0.825 2177 G HN 1.951 nan 8.290 nan 0.000 0.484 2178 A N -0.501 122.287 122.820 -0.053 0.000 2.435 2178 A HA 1.036 5.356 4.320 -0.000 0.000 0.304 2178 A C -0.158 177.323 177.584 -0.173 0.000 1.064 2178 A CA -0.184 51.833 52.037 -0.034 0.000 0.727 2178 A CB 1.697 20.697 19.000 -0.000 0.000 1.284 2178 A HN 1.677 nan 8.150 nan 0.000 0.415 2179 R N 0.493 120.916 120.500 -0.128 0.000 2.741 2179 R HA 0.520 4.860 4.340 -0.000 0.000 0.276 2179 R C -1.218 175.011 176.300 -0.120 0.000 1.028 2179 R CA -1.069 54.950 56.100 -0.135 0.000 0.865 2179 R CB 0.822 31.037 30.300 -0.141 0.000 1.268 2179 R HN 0.503 nan 8.270 nan 0.000 0.475 2180 K N 0.284 120.628 120.400 -0.093 0.000 2.117 2180 K HA 0.284 4.604 4.320 -0.000 0.000 0.240 2180 K C -0.531 176.047 176.600 -0.038 0.000 1.031 2180 K CA -0.564 55.659 56.287 -0.107 0.000 0.909 2180 K CB 0.226 32.699 32.500 -0.046 0.000 1.097 2180 K HN 0.205 nan 8.250 nan 0.000 0.492 2181 F N 1.470 121.462 119.950 0.071 0.000 2.629 2181 F HA -0.001 4.526 4.527 -0.000 0.000 0.377 2181 F C 0.522 176.406 175.800 0.139 0.000 1.101 2181 F CA 0.366 58.436 58.000 0.117 0.000 1.301 2181 F CB 0.013 39.135 39.000 0.203 0.000 1.062 2181 F HN 0.222 nan 8.300 nan 0.000 0.583 2182 L N 4.954 126.381 121.223 0.341 0.000 2.386 2182 L HA 0.608 4.948 4.340 -0.000 0.000 0.271 2182 L C -1.555 175.434 176.870 0.199 0.000 0.993 2182 L CA -0.653 54.329 54.840 0.237 0.000 0.819 2182 L CB 1.436 43.603 42.059 0.181 0.000 1.294 2182 L HN 0.413 nan 8.230 nan 0.000 0.414 2183 L N 5.143 126.463 121.223 0.162 0.000 2.287 2183 L HA 0.641 4.981 4.340 -0.000 0.000 0.287 2183 L C 0.032 176.989 176.870 0.144 0.000 1.022 2183 L CA -0.656 54.246 54.840 0.102 0.000 0.814 2183 L CB 1.614 43.680 42.059 0.012 0.000 1.217 2183 L HN 0.733 nan 8.230 nan 0.000 0.420 2184 A N 4.177 127.092 122.820 0.159 0.000 2.316 2184 A HA 0.566 4.886 4.320 -0.000 0.000 0.311 2184 A C -1.062 176.680 177.584 0.263 0.000 1.339 2184 A CA -0.149 52.003 52.037 0.191 0.000 0.960 2184 A CB 0.018 19.118 19.000 0.167 0.000 1.152 2184 A HN 0.514 nan 8.150 nan 0.000 0.547 2185 F N 3.895 123.876 119.950 0.052 0.000 2.499 2185 F HA 0.482 5.009 4.527 -0.000 0.000 0.333 2185 F C -0.989 174.828 175.800 0.028 0.000 1.138 2185 F CA -1.346 56.677 58.000 0.038 0.000 0.945 2185 F CB 1.579 40.593 39.000 0.022 0.000 1.181 2185 F HN 0.503 nan 8.300 nan 0.000 0.435 2186 N N 6.301 124.828 118.700 -0.288 0.000 2.399 2186 N HA 0.483 5.223 4.740 -0.000 0.000 0.295 2186 N C -1.212 173.981 175.510 -0.528 0.000 1.048 2186 N CA -0.362 52.488 53.050 -0.332 0.000 0.886 2186 N CB 2.278 40.719 38.487 -0.077 0.000 1.185 2186 N HN 0.426 nan 8.380 nan 0.000 0.487 2187 I N 1.941 122.259 120.570 -0.420 0.000 2.354 2187 I HA 0.207 4.377 4.170 -0.000 0.000 0.292 2187 I C 0.060 176.092 176.117 -0.143 0.000 0.989 2187 I CA -0.645 60.480 61.300 -0.292 0.000 1.188 2187 I CB 0.726 38.576 38.000 -0.249 0.000 1.342 2187 I HN 0.185 nan 8.210 nan 0.000 0.457 2188 N N 7.817 126.482 118.700 -0.058 0.000 2.514 2188 N HA 0.608 5.348 4.740 -0.000 0.000 0.277 2188 N C -0.774 174.729 175.510 -0.012 0.000 1.126 2188 N CA -0.295 52.746 53.050 -0.014 0.000 0.978 2188 N CB 1.331 39.828 38.487 0.016 0.000 1.106 2188 N HN 0.568 nan 8.380 nan 0.000 0.461 2189 L N -1.756 119.467 121.223 0.000 0.000 2.466 2189 L HA 0.577 4.917 4.340 -0.000 0.000 0.258 2189 L C -1.121 175.770 176.870 0.036 0.000 0.973 2189 L CA -1.052 53.790 54.840 0.003 0.000 0.826 2189 L CB 1.589 43.635 42.059 -0.023 0.000 1.372 2189 L HN 0.215 nan 8.230 nan 0.000 0.409 2190 L N 3.422 124.666 121.223 0.034 0.000 2.328 2190 L HA 0.524 4.864 4.340 -0.000 0.000 0.280 2190 L C 0.235 177.135 176.870 0.049 0.000 1.111 2190 L CA 0.105 54.977 54.840 0.053 0.000 0.909 2190 L CB 0.271 42.355 42.059 0.041 0.000 1.277 2190 L HN 0.981 nan 8.230 nan 0.000 0.433 2191 S N 0.237 115.979 115.700 0.071 0.000 2.757 2191 S HA 0.588 5.057 4.470 -0.000 0.000 0.285 2191 S C -0.254 174.393 174.600 0.079 0.000 1.196 2191 S CA -0.583 57.650 58.200 0.055 0.000 0.856 2191 S CB 1.743 64.965 63.200 0.037 0.000 1.212 2191 S HN 0.368 nan 8.310 nan 0.000 0.516 2192 T N -1.169 113.415 114.554 0.049 0.000 2.902 2192 T HA 0.458 4.808 4.350 -0.000 0.000 0.280 2192 T C 1.388 176.135 174.700 0.078 0.000 0.992 2192 T CA -0.392 61.730 62.100 0.036 0.000 1.015 2192 T CB 0.939 69.807 68.868 0.001 0.000 1.044 2192 T HN 0.964 nan 8.240 nan 0.000 0.520 2193 R N 0.665 121.218 120.500 0.088 0.000 2.120 2193 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 2193 R C 1.596 177.954 176.300 0.096 0.000 1.123 2193 R CA 1.377 57.556 56.100 0.132 0.000 0.975 2193 R CB -0.573 29.814 30.300 0.145 0.000 0.866 2193 R HN 0.654 nan 8.270 nan 0.000 0.446 2194 E N 1.369 121.604 120.200 0.059 0.000 2.077 2194 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 2194 E C 2.112 178.756 176.600 0.073 0.000 0.989 2194 E CA 1.643 58.082 56.400 0.064 0.000 0.800 2194 E CB -0.057 29.662 29.700 0.031 0.000 0.746 2194 E HN 0.504 nan 8.360 nan 0.000 0.452 2195 Q N -0.253 119.576 119.800 0.048 0.000 2.119 2195 Q HA -0.031 4.309 4.340 -0.000 0.000 0.201 2195 Q C 2.197 178.213 176.000 0.025 0.000 0.972 2195 Q CA 1.221 57.041 55.803 0.029 0.000 0.847 2195 Q CB -0.129 28.620 28.738 0.017 0.000 0.903 2195 Q HN 0.294 nan 8.270 nan 0.000 0.433 2196 A N 0.574 123.420 122.820 0.043 0.000 1.898 2196 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 2196 A C 1.856 179.453 177.584 0.023 0.000 1.181 2196 A CA 1.368 53.414 52.037 0.015 0.000 0.620 2196 A CB -0.761 18.254 19.000 0.025 0.000 0.819 2196 A HN 0.429 nan 8.150 nan 0.000 0.442 2197 H N -0.738 118.310 119.070 -0.036 0.000 2.423 2197 H HA -0.063 4.493 4.556 -0.000 0.000 0.297 2197 H C 2.372 177.676 175.328 -0.040 0.000 1.075 2197 H CA 1.434 57.456 56.048 -0.042 0.000 1.342 2197 H CB 0.016 29.770 29.762 -0.013 0.000 1.395 2197 H HN 0.510 nan 8.280 nan 0.000 0.530 2198 R N 0.613 121.109 120.500 -0.007 0.000 2.081 2198 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 2198 R C 2.362 178.605 176.300 -0.095 0.000 1.131 2198 R CA 1.470 57.536 56.100 -0.056 0.000 0.960 2198 R CB -0.147 30.144 30.300 -0.015 0.000 0.856 2198 R HN 0.315 nan 8.270 nan 0.000 0.436 2199 I N 0.672 121.193 120.570 -0.082 0.000 2.252 2199 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 2199 I C 2.591 178.634 176.117 -0.124 0.000 1.102 2199 I CA 1.126 62.371 61.300 -0.092 0.000 1.385 2199 I CB -0.403 37.547 38.000 -0.084 0.000 1.064 2199 I HN 0.293 nan 8.210 nan 0.000 0.414 2200 A N 0.894 123.618 122.820 -0.162 0.000 1.883 2200 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 2200 A C 2.113 179.574 177.584 -0.206 0.000 1.186 2200 A CA 1.614 53.536 52.037 -0.193 0.000 0.624 2200 A CB -0.735 18.123 19.000 -0.237 0.000 0.822 2200 A HN 0.298 nan 8.150 nan 0.000 0.444 2201 L N 0.116 121.178 121.223 -0.269 0.000 2.141 2201 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 2201 L C 1.768 178.564 176.870 -0.125 0.000 1.094 2201 L CA 1.784 56.496 54.840 -0.214 0.000 0.763 2201 L CB -0.742 41.175 42.059 -0.237 0.000 0.908 2201 L HN 0.316 nan 8.230 nan 0.000 0.437 2202 D N -0.889 119.446 120.400 -0.109 0.000 2.183 2202 D HA -0.076 4.564 4.640 -0.000 0.000 0.203 2202 D C 2.333 178.592 176.300 -0.068 0.000 0.969 2202 D CA 1.033 54.987 54.000 -0.075 0.000 0.842 2202 D CB 0.148 40.909 40.800 -0.066 0.000 0.957 2202 D HN 0.278 nan 8.370 nan 0.000 0.484 2203 L N 0.446 121.622 121.223 -0.078 0.000 2.253 2203 L HA 0.088 4.428 4.340 -0.000 0.000 0.205 2203 L C 1.187 178.023 176.870 -0.057 0.000 1.078 2203 L CA -0.051 54.750 54.840 -0.065 0.000 0.805 2203 L CB -0.135 41.882 42.059 -0.069 0.000 0.963 2203 L HN -0.053 nan 8.230 nan 0.000 0.459 2204 R N 1.226 121.686 120.500 -0.066 0.000 2.623 2204 R HA -0.069 4.271 4.340 -0.000 0.000 0.271 2204 R C 0.837 177.115 176.300 -0.037 0.000 1.043 2204 R CA 0.035 56.106 56.100 -0.049 0.000 1.083 2204 R CB 0.610 30.876 30.300 -0.058 0.000 0.974 2204 R HN 0.167 nan 8.270 nan 0.000 0.436 2205 E N 1.854 122.040 120.200 -0.023 0.000 2.070 2205 E HA -0.349 4.001 4.350 -0.000 0.000 0.197 2205 E C 1.771 178.361 176.600 -0.016 0.000 1.004 2205 E CA 2.300 58.690 56.400 -0.017 0.000 0.805 2205 E CB 0.055 29.750 29.700 -0.008 0.000 0.744 2205 E HN 0.859 nan 8.360 nan 0.000 0.451 2206 Q N -0.207 119.586 119.800 -0.012 0.000 2.364 2206 Q HA 0.001 4.341 4.340 -0.000 0.000 0.207 2206 Q C 1.361 177.351 176.000 -0.017 0.000 0.970 2206 Q CA 0.875 56.674 55.803 -0.008 0.000 0.888 2206 Q CB -0.164 28.575 28.738 0.002 0.000 0.951 2206 Q HN 0.310 nan 8.270 nan 0.000 0.469 2207 G N 2.079 110.860 108.800 -0.031 0.000 2.634 2207 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.309 2207 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.309 2207 G C 0.524 175.400 174.900 -0.042 0.000 1.265 2207 G CA 0.601 45.676 45.100 -0.042 0.000 0.998 2207 G HN 0.455 nan 8.290 nan 0.000 0.551 2208 R N 1.297 121.778 120.500 -0.031 0.000 2.432 2208 R HA 0.483 4.823 4.340 -0.000 0.000 0.260 2208 R C 0.878 177.175 176.300 -0.005 0.000 0.935 2208 R CA 0.727 56.815 56.100 -0.021 0.000 1.080 2208 R CB 0.535 30.822 30.300 -0.020 0.000 1.155 2208 R HN 1.533 nan 8.270 nan 0.000 0.531 2209 G N 0.047 108.844 108.800 -0.005 0.000 2.352 2209 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.302 2209 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.302 2209 G C -0.409 174.491 174.900 -0.000 0.000 1.370 2209 G CA -0.886 44.215 45.100 0.002 0.000 0.918 2209 G HN -0.076 nan 8.290 nan 0.000 0.610 2210 K N -0.553 119.849 120.400 0.003 0.000 2.113 2210 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 2210 K C 1.151 177.750 176.600 -0.002 0.000 1.047 2210 K CA 1.769 58.056 56.287 0.000 0.000 0.928 2210 K CB 0.016 32.517 32.500 0.002 0.000 0.716 2210 K HN 0.461 nan 8.250 nan 0.000 0.446 2211 D N 0.543 120.942 120.400 -0.002 0.000 2.340 2211 D HA -0.027 4.613 4.640 -0.000 0.000 0.220 2211 D C 0.027 176.324 176.300 -0.006 0.000 1.039 2211 D CA 0.672 54.669 54.000 -0.003 0.000 0.866 2211 D CB 0.420 41.219 40.800 -0.002 0.000 0.913 2211 D HN 0.303 nan 8.370 nan 0.000 0.523 2212 Q N 0.531 120.327 119.800 -0.007 0.000 3.180 2212 Q HA 0.241 4.581 4.340 -0.000 0.000 0.317 2212 Q C -2.661 173.330 176.000 -0.016 0.000 0.824 2212 Q CA -1.452 54.344 55.803 -0.012 0.000 0.926 2212 Q CB 1.716 30.447 28.738 -0.012 0.000 1.487 2212 Q HN -0.027 nan 8.270 nan 0.000 0.389 2213 P HA -0.021 nan 4.420 nan 0.000 0.269 2213 P C 0.378 177.664 177.300 -0.023 0.000 1.217 2213 P CA 0.247 63.337 63.100 -0.017 0.000 0.783 2213 P CB 0.700 32.391 31.700 -0.014 0.000 0.898 2214 G N 0.843 109.627 108.800 -0.027 0.000 2.537 2214 G HA2 0.179 4.139 3.960 -0.000 0.000 0.297 2214 G HA3 0.179 4.139 3.960 -0.000 0.000 0.297 2214 G C 0.619 175.500 174.900 -0.031 0.000 1.310 2214 G CA -0.547 44.533 45.100 -0.034 0.000 1.027 2214 G HN 0.353 nan 8.290 nan 0.000 0.505 2215 R N -1.364 119.114 120.500 -0.035 0.000 2.100 2215 R HA 0.146 4.486 4.340 -0.000 0.000 0.220 2215 R C 0.371 176.651 176.300 -0.033 0.000 1.091 2215 R CA 0.472 56.552 56.100 -0.033 0.000 0.986 2215 R CB -0.177 30.102 30.300 -0.036 0.000 0.888 2215 R HN 0.221 nan 8.270 nan 0.000 0.444 2216 L N 2.280 123.482 121.223 -0.036 0.000 2.287 2216 L HA 0.318 4.658 4.340 -0.000 0.000 0.287 2216 L C -0.168 176.685 176.870 -0.028 0.000 1.022 2216 L CA -0.961 53.857 54.840 -0.036 0.000 0.814 2216 L CB 1.292 43.326 42.059 -0.042 0.000 1.217 2216 L HN -0.146 nan 8.230 nan 0.000 0.420 2217 K N 3.518 123.902 120.400 -0.027 0.000 2.295 2217 K HA 0.123 4.443 4.320 -0.000 0.000 0.270 2217 K C 0.392 176.982 176.600 -0.016 0.000 1.011 2217 K CA -0.272 56.003 56.287 -0.020 0.000 0.953 2217 K CB 0.498 32.985 32.500 -0.022 0.000 0.956 2217 K HN 0.368 nan 8.250 nan 0.000 0.477 2218 K N -0.885 119.510 120.400 -0.007 0.000 3.069 2218 K HA -0.146 4.173 4.320 -0.000 0.000 0.267 2218 K C -0.759 175.851 176.600 0.016 0.000 1.082 2218 K CA 0.454 56.743 56.287 0.004 0.000 0.782 2218 K CB -2.010 30.487 32.500 -0.004 0.000 1.230 2218 K HN 0.368 nan 8.250 nan 0.000 0.488 2219 V N 0.758 120.678 119.914 0.010 0.000 2.588 2219 V HA 0.309 4.429 4.120 -0.000 0.000 0.304 2219 V C 0.168 176.270 176.094 0.012 0.000 1.042 2219 V CA -0.754 61.555 62.300 0.016 0.000 0.877 2219 V CB 2.220 34.043 31.823 0.001 0.000 0.996 2219 V HN 0.169 nan 8.190 nan 0.000 0.425 2220 Q N 2.276 122.090 119.800 0.023 0.000 2.345 2220 Q HA 0.901 5.240 4.340 -0.000 0.000 0.268 2220 Q C -0.636 175.356 176.000 -0.013 0.000 1.054 2220 Q CA -0.653 55.158 55.803 0.013 0.000 0.835 2220 Q CB 2.701 31.464 28.738 0.042 0.000 1.339 2220 Q HN 0.972 nan 8.270 nan 0.000 0.447 2221 A N 1.832 124.624 122.820 -0.047 0.000 2.599 2221 A HA 0.783 5.103 4.320 -0.000 0.000 0.294 2221 A C -1.514 176.001 177.584 -0.117 0.000 1.055 2221 A CA -0.595 51.384 52.037 -0.097 0.000 0.683 2221 A CB 1.113 20.048 19.000 -0.108 0.000 1.278 2221 A HN 0.743 nan 8.150 nan 0.000 0.412 2222 I N -1.566 118.911 120.570 -0.156 0.000 3.102 2222 I HA 0.944 5.114 4.170 -0.000 0.000 0.310 2222 I C -0.001 176.053 176.117 -0.106 0.000 1.246 2222 I CA -1.053 60.229 61.300 -0.030 0.000 0.979 2222 I CB 2.228 40.255 38.000 0.044 0.000 1.267 2222 I HN 0.942 nan 8.210 nan 0.000 0.451 2223 G N 1.725 110.655 108.800 0.218 0.000 2.452 2223 G HA2 0.744 4.703 3.960 -0.000 0.000 0.324 2223 G HA3 0.744 4.703 3.960 -0.000 0.000 0.324 2223 G C -1.784 173.176 174.900 0.100 0.000 1.214 2223 G CA -0.558 44.552 45.100 0.017 0.000 0.947 2223 G HN 0.980 nan 8.290 nan 0.000 0.478 2224 W N 0.911 122.253 121.300 0.070 0.000 2.940 2224 W HA 0.754 5.414 4.660 -0.000 0.000 0.394 2224 W C -2.441 174.146 176.519 0.113 0.000 1.155 2224 W CA -2.778 54.604 57.345 0.062 0.000 1.165 2224 W CB 0.829 30.309 29.460 0.033 0.000 1.492 2224 W HN 0.589 nan 8.180 nan 0.000 0.593 2225 Y N 1.345 121.862 120.300 0.362 0.000 2.442 2225 Y HA 0.718 5.268 4.550 -0.000 0.000 0.344 2225 Y C -1.443 174.481 175.900 0.040 0.000 0.976 2225 Y CA -1.583 56.634 58.100 0.196 0.000 1.040 2225 Y CB 1.675 40.191 38.460 0.094 0.000 1.228 2225 Y HN 0.479 nan 8.280 nan 0.000 0.451 2226 L N 6.271 127.091 121.223 -0.672 0.000 2.298 2226 L HA 0.309 4.649 4.340 -0.000 0.000 0.284 2226 L C 0.280 176.745 176.870 -0.675 0.000 1.013 2226 L CA -0.672 53.839 54.840 -0.549 0.000 0.824 2226 L CB 1.424 43.269 42.059 -0.356 0.000 1.221 2226 L HN 0.782 nan 8.230 nan 0.000 0.418 2227 D N 1.301 121.523 120.400 -0.297 0.000 2.149 2227 D HA -0.220 4.420 4.640 -0.000 0.000 0.198 2227 D C 1.666 177.894 176.300 -0.120 0.000 0.990 2227 D CA 1.278 55.231 54.000 -0.079 0.000 0.839 2227 D CB 0.323 41.141 40.800 0.030 0.000 0.948 2227 D HN 0.668 nan 8.370 nan 0.000 0.460 2228 E N 0.518 120.631 120.200 -0.145 0.000 2.085 2228 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 2228 E C 1.143 177.683 176.600 -0.100 0.000 0.994 2228 E CA 1.032 57.369 56.400 -0.105 0.000 0.801 2228 E CB 0.274 29.911 29.700 -0.106 0.000 0.743 2228 E HN 0.037 nan 8.360 nan 0.000 0.453 2229 K N 0.177 120.487 120.400 -0.149 0.000 2.355 2229 K HA 0.022 4.342 4.320 -0.000 0.000 0.198 2229 K C 0.380 176.908 176.600 -0.120 0.000 1.039 2229 K CA 0.236 56.456 56.287 -0.111 0.000 1.075 2229 K CB 0.117 32.561 32.500 -0.094 0.000 0.870 2229 K HN 0.098 nan 8.250 nan 0.000 0.540 2230 N N 1.105 119.680 118.700 -0.209 0.000 2.708 2230 N HA -0.198 4.542 4.740 -0.000 0.000 0.255 2230 N C -1.278 174.194 175.510 -0.062 0.000 1.046 2230 N CA 0.732 53.716 53.050 -0.110 0.000 0.715 2230 N CB -1.449 37.070 38.487 0.053 0.000 0.895 2230 N HN 0.222 nan 8.380 nan 0.000 0.545 2231 L N -3.841 117.220 121.223 -0.271 0.000 2.775 2231 L HA 0.983 5.323 4.340 -0.000 0.000 0.263 2231 L C -0.429 176.420 176.870 -0.036 0.000 1.017 2231 L CA -0.862 53.960 54.840 -0.029 0.000 0.891 2231 L CB 0.916 42.974 42.059 -0.001 0.000 1.482 2231 L HN 0.057 nan 8.230 nan 0.000 0.410 2232 A N 0.255 123.163 122.820 0.148 0.000 2.269 2232 A HA 0.940 5.260 4.320 -0.000 0.000 0.319 2232 A C -0.715 176.941 177.584 0.120 0.000 1.110 2232 A CA -0.404 51.755 52.037 0.204 0.000 0.847 2232 A CB 1.102 20.229 19.000 0.212 0.000 1.161 2232 A HN 0.771 nan 8.150 nan 0.000 0.497 2233 Q N -0.367 119.494 119.800 0.101 0.000 2.379 2233 Q HA 0.498 4.838 4.340 -0.000 0.000 0.278 2233 Q C -1.696 174.134 176.000 -0.283 0.000 1.068 2233 Q CA -0.867 54.889 55.803 -0.078 0.000 0.816 2233 Q CB 2.604 31.332 28.738 -0.017 0.000 1.387 2233 Q HN 0.436 nan 8.270 nan 0.000 0.413 2234 V N 1.786 121.538 119.914 -0.270 0.000 2.318 2234 V HA 0.214 4.334 4.120 -0.000 0.000 0.271 2234 V C -0.196 175.661 176.094 -0.394 0.000 1.030 2234 V CA -0.151 61.972 62.300 -0.294 0.000 0.844 2234 V CB 1.243 32.946 31.823 -0.201 0.000 1.015 2234 V HN 0.699 nan 8.190 nan 0.000 0.460 2235 S N 4.744 120.088 115.700 -0.593 0.000 2.452 2235 S HA 0.614 5.084 4.470 -0.000 0.000 0.284 2235 S C 0.142 174.562 174.600 -0.300 0.000 1.171 2235 S CA -0.254 57.595 58.200 -0.585 0.000 1.064 2235 S CB 0.620 63.090 63.200 -1.216 0.000 0.967 2235 S HN 0.980 nan 8.310 nan 0.000 0.484 2236 T N 2.164 116.638 114.554 -0.133 0.000 2.916 2236 T HA 0.553 4.903 4.350 -0.000 0.000 0.292 2236 T C -0.866 173.882 174.700 0.080 0.000 1.055 2236 T CA -0.981 61.110 62.100 -0.015 0.000 1.009 2236 T CB 1.129 70.024 68.868 0.045 0.000 1.118 2236 T HN 0.623 nan 8.240 nan 0.000 0.497 2237 N N 0.780 119.532 118.700 0.086 0.000 2.399 2237 N HA 0.506 5.246 4.740 -0.000 0.000 0.280 2237 N C -1.587 173.988 175.510 0.109 0.000 1.008 2237 N CA -0.723 52.398 53.050 0.118 0.000 0.894 2237 N CB 1.391 39.948 38.487 0.116 0.000 1.273 2237 N HN 0.346 nan 8.380 nan 0.000 0.486 2238 L N 3.722 125.018 121.223 0.123 0.000 2.259 2238 L HA 0.293 4.633 4.340 -0.000 0.000 0.288 2238 L C 1.119 178.063 176.870 0.124 0.000 1.051 2238 L CA -0.018 54.886 54.840 0.106 0.000 0.824 2238 L CB 1.000 43.118 42.059 0.098 0.000 1.206 2238 L HN 0.580 nan 8.230 nan 0.000 0.429 2239 L N 1.235 122.514 121.223 0.094 0.000 2.291 2239 L HA 0.073 4.413 4.340 -0.000 0.000 0.214 2239 L C 0.228 177.140 176.870 0.070 0.000 1.120 2239 L CA 0.752 55.645 54.840 0.088 0.000 0.799 2239 L CB -0.012 42.085 42.059 0.063 0.000 0.925 2239 L HN 0.617 nan 8.230 nan 0.000 0.446 2240 D N -0.668 119.760 120.400 0.047 0.000 2.445 2240 D HA 0.060 4.700 4.640 -0.000 0.000 0.236 2240 D C 0.669 176.934 176.300 -0.058 0.000 1.315 2240 D CA -0.481 53.495 54.000 -0.040 0.000 0.924 2240 D CB 0.613 41.369 40.800 -0.074 0.000 1.447 2240 D HN 0.069 nan 8.370 nan 0.000 0.532 2241 F N 1.501 121.453 119.950 0.003 0.000 2.307 2241 F HA 0.023 4.550 4.527 0.000 0.000 0.301 2241 F C 1.527 177.316 175.800 -0.018 0.000 1.076 2241 F CA 0.745 58.728 58.000 -0.029 0.000 1.383 2241 F CB -0.131 38.845 39.000 -0.040 0.000 1.055 2241 F HN 0.107 nan 8.300 nan 0.000 0.526 2242 E N 1.067 120.943 120.200 -0.539 0.000 2.204 2242 E HA -0.071 4.279 4.350 -0.000 0.000 0.194 2242 E C 2.470 178.997 176.600 -0.121 0.000 0.989 2242 E CA 1.063 57.272 56.400 -0.320 0.000 0.824 2242 E CB -0.196 29.258 29.700 -0.410 0.000 0.756 2242 E HN 0.496 nan 8.360 nan 0.000 0.477 2243 V N 0.111 119.958 119.914 -0.111 0.000 2.374 2243 V HA -0.024 4.096 4.120 -0.000 0.000 0.241 2243 V C 0.910 176.974 176.094 -0.049 0.000 1.034 2243 V CA 1.170 63.431 62.300 -0.064 0.000 1.037 2243 V CB 0.259 32.046 31.823 -0.060 0.000 0.682 2243 V HN 0.044 nan 8.190 nan 0.000 0.463 2244 T N 0.733 115.257 114.554 -0.049 0.000 2.906 2244 T HA 0.617 4.967 4.350 -0.000 0.000 0.302 2244 T C 0.084 174.731 174.700 -0.088 0.000 1.002 2244 T CA -0.108 61.941 62.100 -0.084 0.000 0.988 2244 T CB 1.312 70.139 68.868 -0.068 0.000 0.972 2244 T HN 0.415 nan 8.240 nan 0.000 0.447 2245 G N 1.225 109.891 108.800 -0.223 0.000 2.535 2245 G HA2 0.550 4.510 3.960 -0.000 0.000 0.303 2245 G HA3 0.550 4.510 3.960 -0.000 0.000 0.303 2245 G C 1.054 175.714 174.900 -0.400 0.000 1.237 2245 G CA -0.869 44.091 45.100 -0.233 0.000 0.986 2245 G HN 0.702 nan 8.290 nan 0.000 0.494 2246 L N 0.038 121.082 121.223 -0.298 0.000 2.012 2246 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 2246 L C 2.918 179.652 176.870 -0.226 0.000 1.073 2246 L CA 1.713 56.314 54.840 -0.398 0.000 0.748 2246 L CB -0.605 41.139 42.059 -0.526 0.000 0.891 2246 L HN 0.741 nan 8.230 nan 0.000 0.431 2247 H N -1.445 117.506 119.070 -0.199 0.000 2.352 2247 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 2247 H C 2.031 177.167 175.328 -0.321 0.000 1.097 2247 H CA 1.848 57.738 56.048 -0.264 0.000 1.311 2247 H CB -1.370 27.976 29.762 -0.693 0.000 1.377 2247 H HN 0.239 nan 8.280 nan 0.000 0.504 2248 T N 1.567 115.627 114.554 -0.823 0.000 2.708 2248 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 2248 T C 2.494 177.076 174.700 -0.197 0.000 1.037 2248 T CA 1.553 63.356 62.100 -0.495 0.000 1.146 2248 T CB -0.438 68.137 68.868 -0.489 0.000 0.865 2248 T HN 0.175 nan 8.240 nan 0.000 0.435 2249 V N 0.972 120.817 119.914 -0.115 0.000 2.343 2249 V HA -0.111 4.009 4.120 -0.000 0.000 0.247 2249 V C 1.992 178.173 176.094 0.146 0.000 1.051 2249 V CA 1.536 63.861 62.300 0.041 0.000 1.036 2249 V CB -0.733 31.177 31.823 0.145 0.000 0.654 2249 V HN 0.397 nan 8.190 nan 0.000 0.451 2250 F N 1.170 121.200 119.950 0.135 0.000 2.075 2250 F HA -0.131 4.396 4.527 -0.000 0.000 0.297 2250 F C 2.543 178.396 175.800 0.090 0.000 1.113 2250 F CA 1.834 59.945 58.000 0.186 0.000 1.218 2250 F CB -0.192 38.986 39.000 0.297 0.000 0.984 2250 F HN 0.099 nan 8.300 nan 0.000 0.472 2251 E N 0.355 120.633 120.200 0.129 0.000 2.077 2251 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 2251 E C 2.122 178.684 176.600 -0.064 0.000 0.989 2251 E CA 1.252 57.676 56.400 0.040 0.000 0.800 2251 E CB -0.434 29.320 29.700 0.090 0.000 0.746 2251 E HN 0.511 nan 8.360 nan 0.000 0.452 2252 E N 0.132 120.290 120.200 -0.069 0.000 2.106 2252 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 2252 E C 2.114 178.652 176.600 -0.103 0.000 0.984 2252 E CA 0.891 57.248 56.400 -0.072 0.000 0.806 2252 E CB -0.395 29.266 29.700 -0.065 0.000 0.750 2252 E HN 0.214 nan 8.360 nan 0.000 0.458 2253 T N 0.864 115.332 114.554 -0.143 0.000 2.777 2253 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 2253 T C 2.150 176.721 174.700 -0.215 0.000 1.040 2253 T CA 1.161 63.156 62.100 -0.175 0.000 1.141 2253 T CB -0.399 68.346 68.868 -0.205 0.000 0.868 2253 T HN 0.226 nan 8.240 nan 0.000 0.444 2254 C N 1.425 120.539 119.300 -0.311 0.000 2.413 2254 C HA -0.054 4.406 4.460 -0.000 0.000 0.276 2254 C C 2.881 177.789 174.990 -0.136 0.000 1.236 2254 C CA 0.549 59.401 59.018 -0.276 0.000 1.735 2254 C CB -0.980 26.569 27.740 -0.319 0.000 2.031 2254 C HN 0.554 nan 8.230 nan 0.000 0.474 2255 R N 0.668 121.109 120.500 -0.098 0.000 2.083 2255 R HA -0.127 4.213 4.340 -0.000 0.000 0.237 2255 R C 2.170 178.438 176.300 -0.054 0.000 1.137 2255 R CA 1.310 57.379 56.100 -0.053 0.000 0.951 2255 R CB -0.361 29.919 30.300 -0.033 0.000 0.851 2255 R HN 0.574 nan 8.270 nan 0.000 0.434 2256 E N 0.596 120.756 120.200 -0.066 0.000 2.110 2256 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 2256 E C 1.999 178.565 176.600 -0.056 0.000 0.988 2256 E CA 1.332 57.697 56.400 -0.058 0.000 0.804 2256 E CB -0.225 29.436 29.700 -0.066 0.000 0.745 2256 E HN 0.359 nan 8.360 nan 0.000 0.458 2257 A N 1.334 124.111 122.820 -0.073 0.000 1.898 2257 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 2257 A C 2.149 179.706 177.584 -0.045 0.000 1.181 2257 A CA 1.397 53.396 52.037 -0.062 0.000 0.620 2257 A CB -0.494 18.456 19.000 -0.084 0.000 0.819 2257 A HN 0.210 nan 8.150 nan 0.000 0.442 2258 Q N -0.397 119.375 119.800 -0.046 0.000 2.124 2258 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 2258 Q C 1.862 177.850 176.000 -0.020 0.000 0.977 2258 Q CA 1.630 57.416 55.803 -0.028 0.000 0.850 2258 Q CB -0.238 28.486 28.738 -0.024 0.000 0.901 2258 Q HN 0.765 nan 8.270 nan 0.000 0.429 2259 E N 0.368 120.554 120.200 -0.023 0.000 2.204 2259 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 2259 E C 1.345 177.935 176.600 -0.015 0.000 0.990 2259 E CA 0.717 57.107 56.400 -0.017 0.000 0.821 2259 E CB 0.049 29.737 29.700 -0.020 0.000 0.750 2259 E HN 0.356 nan 8.360 nan 0.000 0.477 2260 L N -0.013 121.199 121.223 -0.018 0.000 2.667 2260 L HA 0.161 4.501 4.340 -0.000 0.000 0.232 2260 L C 0.251 177.115 176.870 -0.011 0.000 1.138 2260 L CA -0.275 54.556 54.840 -0.014 0.000 0.921 2260 L CB 0.299 42.348 42.059 -0.016 0.000 1.180 2260 L HN -0.106 nan 8.230 nan 0.000 0.487 2261 S N 0.969 116.663 115.700 -0.011 0.000 3.682 2261 S HA -0.141 4.329 4.470 -0.000 0.000 0.354 2261 S C 0.019 174.615 174.600 -0.006 0.000 1.034 2261 S CA 0.504 58.700 58.200 -0.007 0.000 1.084 2261 S CB -1.602 61.596 63.200 -0.004 0.000 0.903 2261 S HN 0.306 nan 8.310 nan 0.000 0.470 2262 L N 1.853 123.069 121.223 -0.012 0.000 2.322 2262 L HA 0.583 4.923 4.340 -0.000 0.000 0.281 2262 L C -2.051 174.809 176.870 -0.016 0.000 1.014 2262 L CA -2.103 52.731 54.840 -0.010 0.000 0.815 2262 L CB 1.695 43.746 42.059 -0.013 0.000 1.247 2262 L HN -0.052 nan 8.230 nan 0.000 0.421 2263 P HA 0.246 nan 4.420 nan 0.000 0.294 2263 P C -0.787 176.506 177.300 -0.013 0.000 1.294 2263 P CA -0.431 62.664 63.100 -0.007 0.000 0.827 2263 P CB 2.191 33.896 31.700 0.007 0.000 0.992 2264 V N 4.080 123.977 119.914 -0.029 0.000 2.509 2264 V HA 0.190 4.310 4.120 -0.000 0.000 0.284 2264 V C 0.868 176.980 176.094 0.030 0.000 1.047 2264 V CA -0.208 62.070 62.300 -0.037 0.000 0.952 2264 V CB 1.613 33.352 31.823 -0.140 0.000 0.988 2264 V HN 0.470 nan 8.190 nan 0.000 0.469 2265 V N 2.295 122.240 119.914 0.051 0.000 2.405 2265 V HA 0.887 5.007 4.120 -0.000 0.000 0.253 2265 V C 0.321 176.469 176.094 0.090 0.000 0.963 2265 V CA 0.144 62.486 62.300 0.069 0.000 1.003 2265 V CB -0.317 31.532 31.823 0.043 0.000 1.251 2265 V HN 1.474 nan 8.190 nan 0.000 0.520 2266 G N 2.184 111.084 108.800 0.167 0.000 2.698 2266 G HA2 0.218 4.178 3.960 -0.000 0.000 0.225 2266 G HA3 0.218 4.178 3.960 -0.000 0.000 0.225 2266 G C -0.228 174.758 174.900 0.144 0.000 1.345 2266 G CA 0.211 45.397 45.100 0.143 0.000 0.871 2266 G HN 2.201 nan 8.290 nan 0.000 0.540 2267 S N -1.665 114.061 115.700 0.042 0.000 2.776 2267 S HA 0.805 5.275 4.470 -0.000 0.000 0.292 2267 S C -0.843 173.745 174.600 -0.020 0.000 1.187 2267 S CA 0.409 58.576 58.200 -0.054 0.000 0.834 2267 S CB 2.294 65.411 63.200 -0.139 0.000 1.199 2267 S HN 1.784 nan 8.310 nan 0.000 0.514 2268 Q N 0.549 120.319 119.800 -0.049 0.000 2.263 2268 Q HA 0.515 4.855 4.340 -0.000 0.000 0.262 2268 Q C -2.089 174.013 176.000 0.170 0.000 0.984 2268 Q CA -0.588 55.259 55.803 0.073 0.000 0.813 2268 Q CB 1.497 30.274 28.738 0.065 0.000 1.299 2268 Q HN 0.791 nan 8.270 nan 0.000 0.428 2269 L N 3.429 124.801 121.223 0.249 0.000 2.312 2269 L HA 0.502 4.842 4.340 -0.000 0.000 0.281 2269 L C -0.510 176.485 176.870 0.208 0.000 1.070 2269 L CA -0.801 54.211 54.840 0.287 0.000 0.805 2269 L CB 1.716 43.941 42.059 0.277 0.000 1.174 2269 L HN 0.454 nan 8.230 nan 0.000 0.434 2270 V N 3.671 123.694 119.914 0.182 0.000 2.370 2270 V HA 0.689 4.809 4.120 -0.000 0.000 0.279 2270 V C 0.739 176.896 176.094 0.106 0.000 1.029 2270 V CA 0.385 62.765 62.300 0.133 0.000 0.870 2270 V CB 0.550 32.458 31.823 0.141 0.000 0.984 2270 V HN 1.073 nan 8.190 nan 0.000 0.451 2271 G N 4.955 113.798 108.800 0.073 0.000 2.525 2271 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.248 2271 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.248 2271 G C -0.480 174.451 174.900 0.051 0.000 1.238 2271 G CA -0.052 45.080 45.100 0.053 0.000 0.926 2271 G HN 0.682 nan 8.290 nan 0.000 0.574 2272 L N -0.578 120.667 121.223 0.037 0.000 2.400 2272 L HA 0.804 5.144 4.340 -0.000 0.000 0.264 2272 L C 0.352 177.203 176.870 -0.032 0.000 1.061 2272 L CA -1.174 53.666 54.840 0.000 0.000 0.799 2272 L CB 1.591 43.643 42.059 -0.012 0.000 1.240 2272 L HN 0.548 nan 8.230 nan 0.000 0.461 2273 V N -0.008 119.844 119.914 -0.103 0.000 2.888 2273 V HA 0.362 4.482 4.120 -0.000 0.000 0.309 2273 V C -2.524 173.361 176.094 -0.349 0.000 1.114 2273 V CA -1.494 60.682 62.300 -0.208 0.000 0.940 2273 V CB 2.404 34.139 31.823 -0.146 0.000 1.021 2273 V HN 0.573 nan 8.190 nan 0.000 0.426 2274 P HA 0.239 nan 4.420 nan 0.000 0.279 2274 P C 0.621 177.651 177.300 -0.449 0.000 1.239 2274 P CA -0.316 62.440 63.100 -0.574 0.000 0.789 2274 P CB 0.922 32.202 31.700 -0.699 0.000 0.933 2275 L N 4.518 125.524 121.223 -0.361 0.000 2.043 2275 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 2275 L C 2.065 178.792 176.870 -0.239 0.000 1.075 2275 L CA 2.052 56.702 54.840 -0.317 0.000 0.752 2275 L CB -0.868 41.017 42.059 -0.290 0.000 0.891 2275 L HN 0.310 nan 8.230 nan 0.000 0.432 2276 K N -0.922 119.367 120.400 -0.185 0.000 2.152 2276 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 2276 K C 1.954 178.444 176.600 -0.184 0.000 1.048 2276 K CA 1.184 57.425 56.287 -0.076 0.000 0.933 2276 K CB -0.210 32.369 32.500 0.132 0.000 0.721 2276 K HN 0.516 nan 8.250 nan 0.000 0.447 2277 A N 0.953 123.413 122.820 -0.600 0.000 1.933 2277 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 2277 A C 2.005 179.399 177.584 -0.317 0.000 1.175 2277 A CA 1.163 52.760 52.037 -0.734 0.000 0.628 2277 A CB -0.411 17.919 19.000 -1.116 0.000 0.814 2277 A HN 0.291 nan 8.150 nan 0.000 0.444 2278 L N -0.798 120.261 121.223 -0.272 0.000 2.131 2278 L HA -0.064 4.276 4.340 -0.000 0.000 0.206 2278 L C 2.420 179.234 176.870 -0.093 0.000 1.087 2278 L CA 0.666 55.402 54.840 -0.173 0.000 0.767 2278 L CB -0.492 41.473 42.059 -0.157 0.000 0.917 2278 L HN 0.342 nan 8.230 nan 0.000 0.441 2279 L N -0.475 120.699 121.223 -0.081 0.000 2.141 2279 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 2279 L C 2.085 178.939 176.870 -0.026 0.000 1.094 2279 L CA 0.837 55.658 54.840 -0.032 0.000 0.763 2279 L CB -0.587 41.462 42.059 -0.017 0.000 0.908 2279 L HN 0.253 nan 8.230 nan 0.000 0.437 2280 D N 0.453 120.842 120.400 -0.019 0.000 2.117 2280 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 2280 D C 2.249 178.439 176.300 -0.184 0.000 0.987 2280 D CA 1.491 55.482 54.000 -0.014 0.000 0.829 2280 D CB 0.044 40.923 40.800 0.133 0.000 0.961 2280 D HN 0.272 nan 8.370 nan 0.000 0.460 2281 A N 0.786 123.535 122.820 -0.120 0.000 1.930 2281 A HA 0.007 4.326 4.320 -0.000 0.000 0.217 2281 A C 2.280 179.874 177.584 0.017 0.000 1.175 2281 A CA 2.005 53.959 52.037 -0.140 0.000 0.627 2281 A CB -0.672 18.385 19.000 0.095 0.000 0.815 2281 A HN 0.222 nan 8.150 nan 0.000 0.443 2282 A N 0.045 122.890 122.820 0.041 0.000 1.902 2282 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 2282 A C 2.512 180.115 177.584 0.033 0.000 1.181 2282 A CA 2.127 54.216 52.037 0.085 0.000 0.623 2282 A CB -1.069 17.954 19.000 0.038 0.000 0.818 2282 A HN 1.080 nan 8.150 nan 0.000 0.443 2283 A N -1.075 121.724 122.820 -0.034 0.000 1.908 2283 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 2283 A C 2.054 179.572 177.584 -0.109 0.000 1.181 2283 A CA 1.733 53.732 52.037 -0.064 0.000 0.627 2283 A CB -0.755 18.211 19.000 -0.057 0.000 0.818 2283 A HN 0.764 nan 8.150 nan 0.000 0.445 2284 F N -0.611 119.130 119.950 -0.348 0.000 2.075 2284 F HA -0.204 4.323 4.527 -0.000 0.000 0.297 2284 F C 2.111 177.696 175.800 -0.358 0.000 1.113 2284 F CA 1.868 59.603 58.000 -0.442 0.000 1.218 2284 F CB -0.512 38.004 39.000 -0.806 0.000 0.984 2284 F HN 0.310 nan 8.300 nan 0.000 0.472 2285 Y N -0.957 119.263 120.300 -0.133 0.000 2.293 2285 Y HA -0.192 4.358 4.550 0.000 0.000 0.291 2285 Y C 2.756 178.516 175.900 -0.233 0.000 1.137 2285 Y CA 1.188 59.170 58.100 -0.198 0.000 1.202 2285 Y CB -0.947 37.506 38.460 -0.012 0.000 0.990 2285 Y HN 0.156 nan 8.280 nan 0.000 0.537 2286 C N -0.394 118.864 119.300 -0.070 0.000 2.440 2286 C HA -0.142 4.318 4.460 -0.000 0.000 0.278 2286 C C 2.775 177.622 174.990 -0.238 0.000 1.295 2286 C CA 1.070 60.002 59.018 -0.143 0.000 1.738 2286 C CB -0.556 27.107 27.740 -0.127 0.000 1.987 2286 C HN 0.515 nan 8.230 nan 0.000 0.492 2287 E N 1.474 121.516 120.200 -0.264 0.000 2.072 2287 E HA -0.185 4.165 4.350 -0.000 0.000 0.190 2287 E C 2.182 178.607 176.600 -0.292 0.000 0.982 2287 E CA 1.169 57.407 56.400 -0.270 0.000 0.803 2287 E CB -0.361 29.190 29.700 -0.249 0.000 0.755 2287 E HN 0.617 nan 8.360 nan 0.000 0.453 2288 K N 0.409 120.563 120.400 -0.410 0.000 2.147 2288 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 2288 K C 1.330 177.814 176.600 -0.194 0.000 1.049 2288 K CA 1.472 57.542 56.287 -0.362 0.000 0.936 2288 K CB 0.078 32.241 32.500 -0.562 0.000 0.722 2288 K HN 0.049 nan 8.250 nan 0.000 0.446 2289 E N 0.028 120.130 120.200 -0.164 0.000 2.476 2289 E HA 0.001 4.351 4.350 -0.000 0.000 0.196 2289 E C -0.515 176.002 176.600 -0.139 0.000 1.029 2289 E CA -0.221 56.117 56.400 -0.104 0.000 0.896 2289 E CB 0.248 29.916 29.700 -0.053 0.000 1.012 2289 E HN 0.307 nan 8.360 nan 0.000 0.475 2290 N N 1.216 119.788 118.700 -0.215 0.000 2.714 2290 N HA -0.182 4.558 4.740 -0.000 0.000 0.253 2290 N C -1.132 174.053 175.510 -0.542 0.000 1.024 2290 N CA 0.401 53.257 53.050 -0.322 0.000 0.726 2290 N CB -1.131 37.269 38.487 -0.144 0.000 0.908 2290 N HN 0.148 nan 8.380 nan 0.000 0.542 2291 L N -0.348 120.552 121.223 -0.539 0.000 2.387 2291 L HA 0.622 4.962 4.340 -0.000 0.000 0.266 2291 L C -0.079 176.325 176.870 -0.776 0.000 1.059 2291 L CA -0.840 53.721 54.840 -0.466 0.000 0.801 2291 L CB 0.637 42.595 42.059 -0.169 0.000 1.223 2291 L HN 0.027 nan 8.230 nan 0.000 0.456 2292 F N 1.984 121.936 119.950 0.004 0.000 2.716 2292 F HA 0.555 5.081 4.527 -0.000 0.000 0.354 2292 F C -0.534 175.283 175.800 0.030 0.000 1.168 2292 F CA -0.399 57.609 58.000 0.013 0.000 1.045 2292 F CB 0.834 39.840 39.000 0.010 0.000 1.311 2292 F HN 0.068 nan 8.300 nan 0.000 0.477 2293 L N 3.632 124.946 121.223 0.153 0.000 2.381 2293 L HA 0.537 4.877 4.340 -0.000 0.000 0.268 2293 L C 0.241 177.182 176.870 0.119 0.000 0.997 2293 L CA -0.591 54.338 54.840 0.148 0.000 0.818 2293 L CB 2.802 44.937 42.059 0.127 0.000 1.310 2293 L HN 0.683 nan 8.230 nan 0.000 0.416 2294 L N 0.799 122.089 121.223 0.112 0.000 2.717 2294 L HA 0.250 4.590 4.340 -0.000 0.000 0.239 2294 L C 0.371 177.265 176.870 0.040 0.000 1.086 2294 L CA 0.162 55.044 54.840 0.069 0.000 0.897 2294 L CB 0.638 42.731 42.059 0.058 0.000 1.214 2294 L HN 0.650 nan 8.230 nan 0.000 0.508 2295 Q N 0.376 120.191 119.800 0.025 0.000 2.256 2295 Q HA 0.053 4.393 4.340 -0.000 0.000 0.254 2295 Q C -0.050 175.957 176.000 0.011 0.000 0.916 2295 Q CA -0.490 55.286 55.803 -0.044 0.000 0.932 2295 Q CB 1.732 30.325 28.738 -0.243 0.000 1.207 2295 Q HN 0.008 nan 8.270 nan 0.000 0.426 2296 D N 2.131 122.545 120.400 0.024 0.000 2.144 2296 D HA -0.219 4.421 4.640 -0.000 0.000 0.199 2296 D C 1.634 177.986 176.300 0.087 0.000 0.984 2296 D CA 1.437 55.478 54.000 0.068 0.000 0.834 2296 D CB 0.221 41.081 40.800 0.100 0.000 0.955 2296 D HN 0.752 nan 8.370 nan 0.000 0.465 2297 E N -0.199 120.028 120.200 0.046 0.000 2.153 2297 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 2297 E C 1.628 178.318 176.600 0.149 0.000 0.988 2297 E CA 1.211 57.654 56.400 0.072 0.000 0.811 2297 E CB -0.470 29.229 29.700 -0.003 0.000 0.746 2297 E HN 0.505 nan 8.360 nan 0.000 0.466 2298 H N 0.172 119.267 119.070 0.041 0.000 2.403 2298 H HA 0.131 4.687 4.556 -0.000 0.000 0.298 2298 H C 2.267 177.609 175.328 0.023 0.000 1.059 2298 H CA 0.679 56.745 56.048 0.029 0.000 1.363 2298 H CB 0.227 30.006 29.762 0.028 0.000 1.410 2298 H HN 0.087 nan 8.280 nan 0.000 0.528 2299 R N 0.320 120.914 120.500 0.158 0.000 2.081 2299 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 2299 R C 2.037 178.372 176.300 0.057 0.000 1.131 2299 R CA 1.032 57.183 56.100 0.086 0.000 0.960 2299 R CB -0.006 30.333 30.300 0.066 0.000 0.856 2299 R HN 0.271 nan 8.270 nan 0.000 0.436 2300 I N 0.649 121.264 120.570 0.075 0.000 2.252 2300 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 2300 I C 2.523 178.665 176.117 0.042 0.000 1.102 2300 I CA 1.270 62.606 61.300 0.060 0.000 1.385 2300 I CB -0.968 37.107 38.000 0.125 0.000 1.064 2300 I HN 0.189 nan 8.210 nan 0.000 0.414 2301 R N 0.900 121.444 120.500 0.073 0.000 2.091 2301 R HA -0.219 4.121 4.340 -0.000 0.000 0.238 2301 R C 2.394 178.679 176.300 -0.024 0.000 1.136 2301 R CA 1.496 57.622 56.100 0.044 0.000 0.959 2301 R CB -0.347 29.997 30.300 0.072 0.000 0.856 2301 R HN 0.230 nan 8.270 nan 0.000 0.437 2302 L N 0.343 121.550 121.223 -0.028 0.000 1.994 2302 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 2302 L C 2.239 179.019 176.870 -0.150 0.000 1.071 2302 L CA 1.763 56.555 54.840 -0.080 0.000 0.745 2302 L CB -0.715 41.319 42.059 -0.042 0.000 0.892 2302 L HN 0.114 nan 8.230 nan 0.000 0.431 2303 V N -1.158 118.686 119.914 -0.116 0.000 2.407 2303 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 2303 V C 2.420 178.359 176.094 -0.257 0.000 1.055 2303 V CA 1.915 64.113 62.300 -0.170 0.000 1.049 2303 V CB -0.063 31.704 31.823 -0.093 0.000 0.662 2303 V HN 0.347 nan 8.190 nan 0.000 0.455 2304 V N 1.245 121.026 119.914 -0.223 0.000 2.392 2304 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 2304 V C 2.496 178.461 176.094 -0.215 0.000 1.059 2304 V CA 2.584 64.727 62.300 -0.263 0.000 1.051 2304 V CB -1.006 30.730 31.823 -0.146 0.000 0.658 2304 V HN 0.764 nan 8.190 nan 0.000 0.455 2305 N N -0.002 118.589 118.700 -0.180 0.000 2.207 2305 N HA -0.153 4.587 4.740 -0.000 0.000 0.182 2305 N C 2.067 177.438 175.510 -0.233 0.000 1.020 2305 N CA 0.911 53.863 53.050 -0.163 0.000 0.858 2305 N CB 0.015 38.428 38.487 -0.123 0.000 0.991 2305 N HN 0.281 nan 8.380 nan 0.000 0.427 2306 R N 0.932 121.218 120.500 -0.355 0.000 2.081 2306 R HA -0.007 4.333 4.340 -0.000 0.000 0.235 2306 R C 2.213 178.181 176.300 -0.552 0.000 1.131 2306 R CA 0.651 56.448 56.100 -0.506 0.000 0.960 2306 R CB -0.839 28.824 30.300 -1.063 0.000 0.856 2306 R HN 0.381 nan 8.270 nan 0.000 0.436 2307 L N -0.493 120.358 121.223 -0.620 0.000 2.418 2307 L HA 0.152 4.492 4.340 -0.000 0.000 0.218 2307 L C 0.949 177.498 176.870 -0.535 0.000 1.125 2307 L CA 0.548 54.831 54.840 -0.929 0.000 0.835 2307 L CB -0.303 41.427 42.059 -0.548 0.000 0.953 2307 L HN 0.363 nan 8.230 nan 0.000 0.454 2308 G N 0.776 109.398 108.800 -0.296 0.000 2.272 2308 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.280 2308 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.280 2308 G C 0.685 175.526 174.900 -0.098 0.000 1.067 2308 G CA 0.123 45.143 45.100 -0.132 0.000 0.902 2308 G HN 0.323 nan 8.290 nan 0.000 0.500 2309 L N -0.185 120.941 121.223 -0.162 0.000 2.456 2309 L HA 0.033 4.373 4.340 -0.000 0.000 0.224 2309 L C 2.049 178.920 176.870 0.002 0.000 1.148 2309 L CA 1.465 56.217 54.840 -0.146 0.000 0.825 2309 L CB -0.111 41.646 42.059 -0.503 0.000 0.937 2309 L HN 0.487 nan 8.230 nan 0.000 0.450 2310 D N -2.320 118.089 120.400 0.015 0.000 2.340 2310 D HA -0.059 4.581 4.640 -0.000 0.000 0.217 2310 D C 1.854 178.183 176.300 0.048 0.000 1.081 2310 D CA 0.715 54.759 54.000 0.073 0.000 0.842 2310 D CB -0.117 40.724 40.800 0.069 0.000 0.934 2310 D HN 0.185 nan 8.370 nan 0.000 0.511 2311 S N 0.879 116.598 115.700 0.032 0.000 2.365 2311 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 2311 S C 1.787 176.407 174.600 0.033 0.000 1.039 2311 S CA 0.811 59.029 58.200 0.030 0.000 1.033 2311 S CB -0.699 62.518 63.200 0.029 0.000 0.887 2311 S HN 0.372 nan 8.310 nan 0.000 0.447 2312 L N 0.622 121.870 121.223 0.042 0.000 2.513 2312 L HA 0.573 4.913 4.340 -0.000 0.000 0.222 2312 L C 0.864 177.757 176.870 0.038 0.000 1.096 2312 L CA 0.229 55.090 54.840 0.035 0.000 0.857 2312 L CB -0.150 41.930 42.059 0.036 0.000 1.026 2312 L HN 0.552 nan 8.230 nan 0.000 0.469 2313 A N -0.839 122.014 122.820 0.054 0.000 2.583 2313 A HA 0.594 4.914 4.320 -0.000 0.000 0.292 2313 A C -2.859 174.771 177.584 0.077 0.000 1.045 2313 A CA -0.880 51.188 52.037 0.052 0.000 0.672 2313 A CB 0.526 19.552 19.000 0.044 0.000 1.283 2313 A HN -0.242 nan 8.150 nan 0.000 0.419 2314 P HA 0.278 nan 4.420 nan 0.000 0.265 2314 P C -0.924 176.442 177.300 0.110 0.000 1.193 2314 P CA 0.503 63.649 63.100 0.078 0.000 0.765 2314 P CB 0.084 31.807 31.700 0.038 0.000 0.823 2315 F N 4.355 124.309 119.950 0.007 0.000 2.334 2315 F HA 0.301 4.828 4.527 -0.000 0.000 0.367 2315 F C 0.180 175.988 175.800 0.012 0.000 1.115 2315 F CA -0.580 57.424 58.000 0.008 0.000 1.116 2315 F CB 0.572 39.574 39.000 0.003 0.000 1.230 2315 F HN 0.064 nan 8.300 nan 0.000 0.484 2316 K N 8.450 128.596 120.400 -0.423 0.000 2.292 2316 K HA 0.247 4.567 4.320 -0.000 0.000 0.270 2316 K C -2.061 174.285 176.600 -0.422 0.000 1.062 2316 K CA -1.592 54.529 56.287 -0.277 0.000 0.916 2316 K CB 1.274 33.677 32.500 -0.161 0.000 1.166 2316 K HN 0.343 nan 8.250 nan 0.000 0.458 2317 P HA -0.237 nan 4.420 nan 0.000 0.216 2317 P C 0.453 177.809 177.300 0.092 0.000 1.154 2317 P CA 1.397 64.478 63.100 -0.032 0.000 0.865 2317 P CB 0.253 32.089 31.700 0.227 0.000 0.789 2318 K N -0.600 119.855 120.400 0.090 0.000 2.362 2318 K HA -0.111 4.209 4.320 -0.000 0.000 0.200 2318 K C 1.562 178.179 176.600 0.028 0.000 1.046 2318 K CA 1.037 57.386 56.287 0.103 0.000 0.952 2318 K CB -0.158 32.344 32.500 0.003 0.000 0.753 2318 K HN 0.352 nan 8.250 nan 0.000 0.466 2319 E N -0.494 119.664 120.200 -0.071 0.000 2.489 2319 E HA 0.074 4.424 4.350 -0.000 0.000 0.204 2319 E C 1.340 177.858 176.600 -0.136 0.000 1.006 2319 E CA -0.050 56.296 56.400 -0.089 0.000 0.936 2319 E CB 0.640 30.278 29.700 -0.104 0.000 1.002 2319 E HN 0.071 nan 8.360 nan 0.000 0.488 2320 R N 0.051 120.414 120.500 -0.228 0.000 2.369 2320 R HA 0.289 4.628 4.340 -0.000 0.000 0.210 2320 R C 0.641 176.852 176.300 -0.148 0.000 0.881 2320 R CA 0.081 56.035 56.100 -0.244 0.000 1.031 2320 R CB 0.674 30.628 30.300 -0.576 0.000 1.184 2320 R HN 0.078 nan 8.270 nan 0.000 0.581 2321 I N 1.821 122.296 120.570 -0.160 0.000 2.325 2321 I HA 0.123 4.293 4.170 -0.000 0.000 0.291 2321 I C 1.831 177.845 176.117 -0.172 0.000 1.019 2321 I CA -0.124 61.033 61.300 -0.238 0.000 1.302 2321 I CB 1.498 39.181 38.000 -0.529 0.000 1.401 2321 I HN -0.055 nan 8.210 nan 0.000 0.485 2322 I N 4.625 125.092 120.570 -0.172 0.000 2.264 2322 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 2322 I C 1.939 178.034 176.117 -0.037 0.000 1.111 2322 I CA 1.821 63.068 61.300 -0.089 0.000 1.382 2322 I CB 0.294 38.227 38.000 -0.112 0.000 1.060 2322 I HN 0.673 nan 8.210 nan 0.000 0.418 2323 E N -0.074 120.073 120.200 -0.089 0.000 2.268 2323 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 2323 E C 1.813 178.530 176.600 0.195 0.000 0.995 2323 E CA 1.252 57.665 56.400 0.021 0.000 0.836 2323 E CB -0.239 29.450 29.700 -0.019 0.000 0.763 2323 E HN 0.659 nan 8.360 nan 0.000 0.491 2324 Y N -0.664 119.622 120.300 -0.023 0.000 2.475 2324 Y HA 0.051 4.601 4.550 -0.000 0.000 0.289 2324 Y C 1.734 177.624 175.900 -0.017 0.000 1.121 2324 Y CA -0.037 58.050 58.100 -0.021 0.000 1.257 2324 Y CB 0.302 38.742 38.460 -0.033 0.000 1.026 2324 Y HN 0.024 nan 8.280 nan 0.000 0.555 2325 L N -0.866 120.442 121.223 0.141 0.000 2.354 2325 L HA 0.053 4.393 4.340 -0.000 0.000 0.212 2325 L C 0.254 177.168 176.870 0.074 0.000 1.091 2325 L CA 0.140 55.029 54.840 0.081 0.000 0.828 2325 L CB 0.299 42.391 42.059 0.054 0.000 0.973 2325 L HN -0.087 nan 8.230 nan 0.000 0.461 2326 V N 0.000 119.963 119.914 0.082 0.000 2.409 2326 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 2326 V CA 0.000 62.346 62.300 0.076 0.000 1.235 2326 V CB 0.000 31.871 31.823 0.081 0.000 1.184 2326 V HN 0.000 nan 8.190 nan 0.000 0.556