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 1gw7_1_H DATA FIRST_RESID 2013 DATA SEQUENCE AALRNQQAMA ANLQARQIVL QQSYPVIQQV ETQTFDPANR SVFDVTPANV DATA SEQUENCE GIVKGFLVKV TAAITNNHAT EAVALTDFGP ANLVQRVIYY DPDNQRHTET DATA SEQUENCE SGWHLHFVNT AKQGAPFLSS MVTDSPIKYG DVMNVIDAPA TIAAGATGEL DATA SEQUENCE TMYYWVPLAY SETDLTGAVL ANVPQSKQRL KLEFANNNTA FAAVGANPLE DATA SEQUENCE AIYQGAGAAD CEFEEISYTV YQSYLDQLPV GQNGYILPLI DLSTLYNLEN DATA SEQUENCE SAQAGLTPNV DFVVQYANLY RYLSTIAVFD NGGSFNAGTD INYLSQRTAN DATA SEQUENCE FSDTRKLDPK TWAAQTRRRI ATDFPKGVYY CDNRDKPIYT LQYGNVGFVV DATA SEQUENCE NPKTVNQNAR LLMGYEYFTS RTE 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 2013 A HA 0.000 nan 4.320 nan 0.000 0.244 2013 A C 0.000 177.588 177.584 0.007 0.000 1.274 2013 A CA 0.000 52.041 52.037 0.006 0.000 0.836 2013 A CB 0.000 19.004 19.000 0.006 0.000 0.831 2014 A N -0.334 122.490 122.820 0.008 0.000 4.029 2014 A HA -0.069 4.251 4.320 0.000 0.000 0.268 2014 A C 2.200 179.787 177.584 0.005 0.000 0.943 2014 A CA 3.040 55.082 52.037 0.008 0.000 1.137 2014 A CB -2.310 16.696 19.000 0.009 0.000 1.074 2014 A HN 2.547 nan 8.150 nan 0.000 0.854 2015 L N -2.134 119.092 121.223 0.004 0.000 2.341 2015 L HA 0.551 4.891 4.340 0.000 0.000 0.214 2015 L C 2.811 179.682 176.870 0.002 0.000 1.115 2015 L CA 2.440 57.282 54.840 0.002 0.000 0.820 2015 L CB -2.438 39.622 42.059 0.003 0.000 0.944 2015 L HN 1.495 nan 8.230 nan 0.000 0.452 2016 R N 0.437 120.938 120.500 0.003 0.000 2.092 2016 R HA -0.149 4.191 4.340 0.000 0.000 0.231 2016 R C 2.033 178.333 176.300 0.000 0.000 1.119 2016 R CA 1.616 57.717 56.100 0.002 0.000 0.970 2016 R CB -1.591 28.712 30.300 0.004 0.000 0.864 2016 R HN 0.853 nan 8.270 nan 0.000 0.440 2017 N N 0.092 118.792 118.700 0.000 0.000 2.300 2017 N HA -0.151 4.589 4.740 0.000 0.000 0.179 2017 N C 1.926 177.431 175.510 -0.007 0.000 1.016 2017 N CA 1.413 54.461 53.050 -0.004 0.000 0.876 2017 N CB -0.117 38.369 38.487 -0.002 0.000 0.979 2017 N HN 0.698 nan 8.380 nan 0.000 0.432 2018 Q N 1.064 120.861 119.800 -0.005 0.000 2.167 2018 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 2018 Q C 1.751 177.746 176.000 -0.007 0.000 0.970 2018 Q CA 1.182 56.981 55.803 -0.007 0.000 0.855 2018 Q CB 0.204 28.940 28.738 -0.004 0.000 0.911 2018 Q HN 0.427 nan 8.270 nan 0.000 0.438 2019 Q N -0.624 119.173 119.800 -0.005 0.000 2.096 2019 Q HA -0.050 4.290 4.340 0.000 0.000 0.197 2019 Q C 2.145 178.142 176.000 -0.006 0.000 0.964 2019 Q CA 0.981 56.781 55.803 -0.004 0.000 0.838 2019 Q CB -0.113 28.624 28.738 -0.001 0.000 0.906 2019 Q HN 0.436 nan 8.270 nan 0.000 0.444 2020 A N 1.240 124.056 122.820 -0.007 0.000 1.940 2020 A HA -0.200 4.120 4.320 0.000 0.000 0.219 2020 A C 2.118 179.692 177.584 -0.016 0.000 1.176 2020 A CA 1.340 53.372 52.037 -0.009 0.000 0.631 2020 A CB -0.440 18.555 19.000 -0.009 0.000 0.814 2020 A HN 0.248 nan 8.150 nan 0.000 0.446 2021 M N -0.704 118.885 119.600 -0.019 0.000 2.086 2021 M HA -0.151 4.329 4.480 0.000 0.000 0.261 2021 M C 2.578 178.864 176.300 -0.023 0.000 1.067 2021 M CA 1.722 57.006 55.300 -0.027 0.000 1.116 2021 M CB -1.197 31.386 32.600 -0.028 0.000 1.348 2021 M HN 0.504 nan 8.290 nan 0.000 0.407 2022 A N 0.100 122.910 122.820 -0.016 0.000 1.930 2022 A HA 0.037 4.357 4.320 0.000 0.000 0.217 2022 A C 2.388 179.966 177.584 -0.010 0.000 1.175 2022 A CA 1.874 53.904 52.037 -0.012 0.000 0.627 2022 A CB -0.788 18.207 19.000 -0.008 0.000 0.815 2022 A HN 0.491 nan 8.150 nan 0.000 0.443 2023 A N 0.294 123.109 122.820 -0.008 0.000 1.898 2023 A HA -0.198 4.122 4.320 0.000 0.000 0.216 2023 A C 2.084 179.663 177.584 -0.007 0.000 1.181 2023 A CA 1.659 53.693 52.037 -0.005 0.000 0.620 2023 A CB -0.698 18.301 19.000 -0.002 0.000 0.819 2023 A HN 0.672 nan 8.150 nan 0.000 0.442 2024 N N -0.051 118.640 118.700 -0.014 0.000 2.084 2024 N HA -0.165 4.575 4.740 0.000 0.000 0.190 2024 N C 1.802 177.299 175.510 -0.022 0.000 1.030 2024 N CA 1.816 54.854 53.050 -0.021 0.000 0.849 2024 N CB -0.240 38.227 38.487 -0.033 0.000 1.012 2024 N HN 0.336 nan 8.380 nan 0.000 0.423 2025 L N 1.965 123.174 121.223 -0.024 0.000 2.046 2025 L HA -0.125 4.215 4.340 0.000 0.000 0.208 2025 L C 2.627 179.489 176.870 -0.014 0.000 1.077 2025 L CA 1.623 56.450 54.840 -0.022 0.000 0.747 2025 L CB -0.997 41.049 42.059 -0.022 0.000 0.896 2025 L HN 0.279 nan 8.230 nan 0.000 0.432 2026 Q N -0.794 119.001 119.800 -0.010 0.000 2.050 2026 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 2026 Q C 2.124 178.123 176.000 -0.003 0.000 0.980 2026 Q CA 1.963 57.763 55.803 -0.005 0.000 0.840 2026 Q CB -0.210 28.527 28.738 -0.002 0.000 0.898 2026 Q HN 0.645 nan 8.270 nan 0.000 0.424 2027 A N 1.198 124.017 122.820 -0.002 0.000 1.933 2027 A HA -0.204 4.116 4.320 0.000 0.000 0.218 2027 A C 2.112 179.694 177.584 -0.004 0.000 1.175 2027 A CA 1.436 53.474 52.037 0.001 0.000 0.628 2027 A CB -0.676 18.327 19.000 0.005 0.000 0.814 2027 A HN 0.430 nan 8.150 nan 0.000 0.444 2028 R N -0.191 120.303 120.500 -0.010 0.000 2.083 2028 R HA -0.218 4.122 4.340 0.000 0.000 0.237 2028 R C 2.285 178.579 176.300 -0.009 0.000 1.137 2028 R CA 2.045 58.138 56.100 -0.012 0.000 0.951 2028 R CB -0.378 29.912 30.300 -0.017 0.000 0.851 2028 R HN 0.714 nan 8.270 nan 0.000 0.434 2029 Q N 0.128 119.923 119.800 -0.008 0.000 2.084 2029 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 2029 Q C 2.276 178.273 176.000 -0.005 0.000 0.978 2029 Q CA 1.804 57.604 55.803 -0.006 0.000 0.844 2029 Q CB -0.147 28.588 28.738 -0.005 0.000 0.898 2029 Q HN 0.447 nan 8.270 nan 0.000 0.426 2030 I N 0.072 120.641 120.570 -0.002 0.000 2.179 2030 I HA -0.261 3.909 4.170 0.000 0.000 0.242 2030 I C 2.260 178.376 176.117 -0.002 0.000 1.088 2030 I CA 0.840 62.141 61.300 0.001 0.000 1.357 2030 I CB -0.333 37.672 38.000 0.008 0.000 1.051 2030 I HN 0.046 nan 8.210 nan 0.000 0.409 2031 V N 1.205 121.115 119.914 -0.007 0.000 2.287 2031 V HA -0.286 3.834 4.120 0.000 0.000 0.248 2031 V C 2.409 178.494 176.094 -0.015 0.000 1.053 2031 V CA 1.831 64.121 62.300 -0.016 0.000 1.027 2031 V CB -0.458 31.351 31.823 -0.024 0.000 0.646 2031 V HN 0.366 nan 8.190 nan 0.000 0.447 2032 L N -0.735 120.480 121.223 -0.013 0.000 2.083 2032 L HA -0.183 4.157 4.340 0.000 0.000 0.209 2032 L C 2.732 179.593 176.870 -0.014 0.000 1.083 2032 L CA 1.299 56.131 54.840 -0.014 0.000 0.752 2032 L CB -0.582 41.470 42.059 -0.012 0.000 0.899 2032 L HN 0.334 nan 8.230 nan 0.000 0.433 2033 Q N -0.444 119.350 119.800 -0.010 0.000 2.123 2033 Q HA -0.136 4.204 4.340 0.000 0.000 0.199 2033 Q C 2.248 178.244 176.000 -0.007 0.000 0.966 2033 Q CA 1.172 56.970 55.803 -0.008 0.000 0.845 2033 Q CB -0.027 28.708 28.738 -0.005 0.000 0.907 2033 Q HN 0.520 nan 8.270 nan 0.000 0.439 2034 Q N 0.315 120.113 119.800 -0.004 0.000 2.204 2034 Q HA 0.039 4.379 4.340 0.000 0.000 0.198 2034 Q C 1.186 177.184 176.000 -0.003 0.000 0.946 2034 Q CA 0.340 56.144 55.803 0.001 0.000 0.859 2034 Q CB 0.040 28.784 28.738 0.009 0.000 0.946 2034 Q HN 0.294 nan 8.270 nan 0.000 0.474 2035 S N -1.022 114.672 115.700 -0.011 0.000 2.608 2035 S HA 0.404 4.874 4.470 0.000 0.000 0.261 2035 S C -0.018 174.570 174.600 -0.020 0.000 1.314 2035 S CA -0.384 57.807 58.200 -0.014 0.000 0.992 2035 S CB 0.083 63.270 63.200 -0.022 0.000 0.935 2035 S HN 0.311 nan 8.310 nan 0.000 0.564 2036 Y N -0.228 120.057 120.300 -0.025 0.000 2.328 2036 Y HA 0.729 5.279 4.550 0.000 0.000 0.336 2036 Y C -2.853 172.995 175.900 -0.086 0.000 0.960 2036 Y CA -3.248 54.825 58.100 -0.044 0.000 1.134 2036 Y CB 0.976 39.417 38.460 -0.033 0.000 1.166 2036 Y HN 0.830 nan 8.280 nan 0.000 0.464 2037 P HA 0.449 nan 4.420 nan 0.000 0.276 2037 P C -0.842 176.326 177.300 -0.220 0.000 1.230 2037 P CA 0.249 63.260 63.100 -0.148 0.000 0.776 2037 P CB 2.166 33.804 31.700 -0.103 0.000 0.888 2038 V N 5.017 124.693 119.914 -0.396 0.000 2.760 2038 V HA 0.453 4.573 4.120 0.000 0.000 0.309 2038 V C 0.071 175.923 176.094 -0.403 0.000 1.077 2038 V CA -0.757 61.262 62.300 -0.469 0.000 0.910 2038 V CB 2.429 33.765 31.823 -0.812 0.000 1.008 2038 V HN 0.523 nan 8.190 nan 0.000 0.424 2039 I N 3.553 124.032 120.570 -0.151 0.000 2.418 2039 I HA 0.628 4.798 4.170 0.000 0.000 0.287 2039 I C -0.696 175.512 176.117 0.151 0.000 1.008 2039 I CA -0.023 61.293 61.300 0.027 0.000 1.104 2039 I CB 1.456 39.477 38.000 0.035 0.000 1.264 2039 I HN 0.836 nan 8.210 nan 0.000 0.438 2040 Q N 6.451 126.432 119.800 0.302 0.000 2.331 2040 Q HA 0.310 4.650 4.340 0.000 0.000 0.272 2040 Q C -1.373 174.844 176.000 0.363 0.000 1.062 2040 Q CA -0.773 55.237 55.803 0.345 0.000 0.806 2040 Q CB 2.209 31.151 28.738 0.340 0.000 1.312 2040 Q HN 0.734 nan 8.270 nan 0.000 0.431 2041 Q N 1.900 121.848 119.800 0.246 0.000 2.337 2041 Q HA 0.161 4.501 4.340 0.000 0.000 0.270 2041 Q C 0.139 176.141 176.000 0.002 0.000 1.002 2041 Q CA 0.161 55.892 55.803 -0.120 0.000 0.888 2041 Q CB 0.961 29.546 28.738 -0.255 0.000 1.222 2041 Q HN 0.641 nan 8.270 nan 0.000 0.400 2042 V N 0.066 119.977 119.914 -0.004 0.000 3.572 2042 V HA 0.415 4.535 4.120 0.000 0.000 0.260 2042 V C 0.113 176.223 176.094 0.028 0.000 1.324 2042 V CA 0.486 62.820 62.300 0.057 0.000 1.068 2042 V CB 0.330 32.232 31.823 0.132 0.000 0.837 2042 V HN 0.840 nan 8.190 nan 0.000 0.450 2043 E N -0.574 119.623 120.200 -0.005 0.000 2.400 2043 E HA 0.539 4.889 4.350 0.000 0.000 0.285 2043 E C -1.642 174.909 176.600 -0.080 0.000 1.005 2043 E CA -0.309 56.090 56.400 -0.002 0.000 0.816 2043 E CB 2.254 32.013 29.700 0.098 0.000 1.220 2043 E HN 0.231 nan 8.360 nan 0.000 0.426 2044 T N 2.993 117.432 114.554 -0.192 0.000 2.952 2044 T HA 0.469 4.819 4.350 0.000 0.000 0.305 2044 T C -1.252 173.158 174.700 -0.483 0.000 1.064 2044 T CA -0.691 61.194 62.100 -0.359 0.000 1.008 2044 T CB 1.703 70.436 68.868 -0.226 0.000 1.078 2044 T HN 0.385 nan 8.240 nan 0.000 0.459 2045 Q N 0.922 120.229 119.800 -0.822 0.000 2.391 2045 Q HA 0.538 4.878 4.340 0.000 0.000 0.279 2045 Q C -1.379 174.354 176.000 -0.446 0.000 1.028 2045 Q CA -0.796 54.648 55.803 -0.597 0.000 0.836 2045 Q CB 2.833 31.168 28.738 -0.671 0.000 1.414 2045 Q HN 0.580 nan 8.270 nan 0.000 0.397 2046 T N 2.620 117.062 114.554 -0.186 0.000 2.824 2046 T HA 0.763 5.113 4.350 0.000 0.000 0.282 2046 T C -1.031 173.686 174.700 0.028 0.000 0.993 2046 T CA -0.427 61.586 62.100 -0.144 0.000 0.967 2046 T CB 0.379 69.169 68.868 -0.131 0.000 0.960 2046 T HN 0.448 nan 8.240 nan 0.000 0.441 2047 F N -0.048 119.817 119.950 -0.142 0.000 2.685 2047 F HA 0.746 5.273 4.527 0.000 0.000 0.315 2047 F C -1.383 174.401 175.800 -0.026 0.000 1.126 2047 F CA -1.339 56.642 58.000 -0.032 0.000 0.950 2047 F CB 1.209 40.268 39.000 0.098 0.000 1.360 2047 F HN 0.294 nan 8.300 nan 0.000 0.469 2048 D N 1.911 122.421 120.400 0.184 0.000 2.329 2048 D HA 0.428 5.068 4.640 0.000 0.000 0.232 2048 D C -2.090 174.364 176.300 0.258 0.000 1.088 2048 D CA -2.584 51.471 54.000 0.092 0.000 0.835 2048 D CB 2.064 42.927 40.800 0.105 0.000 1.078 2048 D HN 0.218 nan 8.370 nan 0.000 0.495 2049 P HA -0.103 nan 4.420 nan 0.000 0.220 2049 P C 0.896 178.327 177.300 0.219 0.000 1.144 2049 P CA 1.065 64.315 63.100 0.250 0.000 0.800 2049 P CB 0.278 31.983 31.700 0.008 0.000 0.772 2050 A N -0.631 122.302 122.820 0.189 0.000 2.015 2050 A HA -0.183 4.137 4.320 0.000 0.000 0.219 2050 A C 2.064 179.721 177.584 0.122 0.000 1.163 2050 A CA 1.594 53.723 52.037 0.153 0.000 0.646 2050 A CB -0.924 18.157 19.000 0.134 0.000 0.806 2050 A HN 0.157 nan 8.150 nan 0.000 0.448 2051 N N -0.373 118.408 118.700 0.135 0.000 2.305 2051 N HA 0.039 4.779 4.740 0.000 0.000 0.179 2051 N C 0.575 176.121 175.510 0.060 0.000 1.019 2051 N CA 1.048 54.154 53.050 0.095 0.000 0.869 2051 N CB 0.076 38.624 38.487 0.103 0.000 1.000 2051 N HN 0.774 nan 8.380 nan 0.000 0.431 2052 R N -1.343 119.216 120.500 0.098 0.000 2.664 2052 R HA 0.437 4.777 4.340 0.000 0.000 0.266 2052 R C -0.541 175.766 176.300 0.011 0.000 1.046 2052 R CA -0.518 55.555 56.100 -0.046 0.000 0.885 2052 R CB 0.892 31.047 30.300 -0.242 0.000 1.254 2052 R HN -0.042 nan 8.270 nan 0.000 0.465 2053 S N -0.458 115.201 115.700 -0.068 0.000 2.744 2053 S HA 0.186 4.656 4.470 0.000 0.000 0.265 2053 S C -0.120 174.558 174.600 0.129 0.000 1.065 2053 S CA -0.166 58.110 58.200 0.127 0.000 1.191 2053 S CB 0.785 64.109 63.200 0.207 0.000 1.150 2053 S HN 0.242 nan 8.310 nan 0.000 0.646 2054 V N 2.986 122.792 119.914 -0.179 0.000 2.398 2054 V HA 0.660 4.780 4.120 0.000 0.000 0.286 2054 V C -1.202 174.622 176.094 -0.449 0.000 1.026 2054 V CA -0.426 61.782 62.300 -0.155 0.000 0.868 2054 V CB 0.798 32.531 31.823 -0.151 0.000 0.982 2054 V HN 0.398 nan 8.190 nan 0.000 0.443 2055 F N 1.636 121.516 119.950 -0.116 0.000 2.563 2055 F HA 0.539 5.066 4.527 0.000 0.000 0.316 2055 F C 0.112 175.833 175.800 -0.133 0.000 1.076 2055 F CA -0.861 57.070 58.000 -0.115 0.000 0.921 2055 F CB 2.079 41.020 39.000 -0.099 0.000 1.209 2055 F HN 0.394 nan 8.300 nan 0.000 0.462 2056 D N 2.416 122.846 120.400 0.050 0.000 2.471 2056 D HA 0.382 5.022 4.640 0.000 0.000 0.245 2056 D C -1.018 175.290 176.300 0.015 0.000 1.116 2056 D CA -0.109 53.882 54.000 -0.015 0.000 0.853 2056 D CB 2.547 43.315 40.800 -0.054 0.000 1.123 2056 D HN 0.107 nan 8.370 nan 0.000 0.540 2057 V N 2.180 122.076 119.914 -0.030 0.000 2.439 2057 V HA 0.258 4.378 4.120 0.000 0.000 0.282 2057 V C 0.602 176.669 176.094 -0.046 0.000 1.039 2057 V CA -0.254 62.037 62.300 -0.015 0.000 0.913 2057 V CB 1.740 33.529 31.823 -0.056 0.000 0.983 2057 V HN 0.461 nan 8.190 nan 0.000 0.460 2058 T N 7.220 121.770 114.554 -0.007 0.000 2.853 2058 T HA 0.371 4.721 4.350 0.000 0.000 0.317 2058 T C -2.128 172.587 174.700 0.025 0.000 1.059 2058 T CA -0.773 61.322 62.100 -0.008 0.000 0.954 2058 T CB 1.037 69.903 68.868 -0.002 0.000 0.994 2058 T HN 0.570 nan 8.240 nan 0.000 0.479 2059 P HA 0.459 nan 4.420 nan 0.000 0.275 2059 P C -0.532 176.824 177.300 0.094 0.000 1.266 2059 P CA -0.651 62.533 63.100 0.139 0.000 0.793 2059 P CB 0.685 32.581 31.700 0.327 0.000 1.074 2060 A N 1.002 123.867 122.820 0.074 0.000 2.371 2060 A HA 0.172 4.492 4.320 0.000 0.000 0.257 2060 A C 0.298 177.854 177.584 -0.047 0.000 1.089 2060 A CA -0.486 51.545 52.037 -0.009 0.000 0.794 2060 A CB -0.700 18.263 19.000 -0.061 0.000 1.029 2060 A HN 0.588 nan 8.150 nan 0.000 0.488 2061 N N 0.860 119.528 118.700 -0.053 0.000 3.083 2061 N HA 0.397 5.137 4.740 0.000 0.000 0.260 2061 N C -1.372 174.077 175.510 -0.102 0.000 1.163 2061 N CA -0.175 52.844 53.050 -0.051 0.000 1.060 2061 N CB 0.647 39.126 38.487 -0.014 0.000 1.345 2061 N HN 0.346 nan 8.380 nan 0.000 0.515 2062 V N 0.960 120.743 119.914 -0.218 0.000 2.483 2062 V HA 0.559 4.679 4.120 0.000 0.000 0.297 2062 V C 1.007 176.975 176.094 -0.210 0.000 1.027 2062 V CA -0.642 61.500 62.300 -0.262 0.000 0.855 2062 V CB 1.047 32.579 31.823 -0.486 0.000 0.995 2062 V HN 0.733 nan 8.190 nan 0.000 0.424 2063 G N 5.286 114.045 108.800 -0.067 0.000 2.602 2063 G HA2 -0.276 3.684 3.960 0.000 0.000 0.306 2063 G HA3 -0.276 3.684 3.960 0.000 0.000 0.306 2063 G C -0.081 174.808 174.900 -0.018 0.000 1.301 2063 G CA 0.501 45.586 45.100 -0.026 0.000 0.974 2063 G HN 0.787 nan 8.290 nan 0.000 0.547 2064 I N 0.766 121.347 120.570 0.019 0.000 2.304 2064 I HA 0.368 4.538 4.170 0.000 0.000 0.291 2064 I C 0.402 176.553 176.117 0.056 0.000 1.018 2064 I CA -0.687 60.624 61.300 0.019 0.000 1.260 2064 I CB 1.546 39.547 38.000 0.001 0.000 1.390 2064 I HN 0.295 nan 8.210 nan 0.000 0.475 2065 V N 7.616 127.537 119.914 0.012 0.000 2.461 2065 V HA 0.149 4.269 4.120 0.000 0.000 0.275 2065 V C 0.879 176.922 176.094 -0.084 0.000 1.047 2065 V CA -0.218 62.056 62.300 -0.042 0.000 0.955 2065 V CB 1.141 32.901 31.823 -0.105 0.000 0.988 2065 V HN 0.747 nan 8.190 nan 0.000 0.471 2066 K N 2.920 123.275 120.400 -0.074 0.000 2.276 2066 K HA 0.471 4.791 4.320 0.000 0.000 0.198 2066 K C 0.826 177.358 176.600 -0.112 0.000 1.052 2066 K CA 0.718 57.004 56.287 -0.002 0.000 0.984 2066 K CB 0.596 33.177 32.500 0.136 0.000 0.836 2066 K HN 0.920 nan 8.250 nan 0.000 0.490 2067 G N -0.173 108.345 108.800 -0.469 0.000 2.317 2067 G HA2 0.360 4.321 3.960 0.000 0.000 0.293 2067 G HA3 0.360 4.321 3.960 0.000 0.000 0.293 2067 G C -1.958 172.093 174.900 -1.414 0.000 1.287 2067 G CA -1.041 43.438 45.100 -1.035 0.000 0.850 2067 G HN -0.013 nan 8.290 nan 0.000 0.515 2068 F N -0.482 118.865 119.950 -1.004 0.000 2.547 2068 F HA 0.659 5.186 4.527 0.000 0.000 0.316 2068 F C -0.247 175.423 175.800 -0.217 0.000 1.121 2068 F CA -0.809 56.952 58.000 -0.398 0.000 0.911 2068 F CB 2.349 41.216 39.000 -0.221 0.000 1.179 2068 F HN 0.421 nan 8.300 nan 0.000 0.443 2069 L N 4.485 125.971 121.223 0.439 0.000 2.272 2069 L HA 0.716 5.056 4.340 0.000 0.000 0.289 2069 L C -1.045 176.166 176.870 0.568 0.000 1.032 2069 L CA -0.505 54.730 54.840 0.658 0.000 0.810 2069 L CB 1.106 43.586 42.059 0.702 0.000 1.205 2069 L HN 0.401 nan 8.230 nan 0.000 0.422 2070 V N 5.688 125.899 119.914 0.495 0.000 2.357 2070 V HA 0.394 4.514 4.120 0.000 0.000 0.284 2070 V C 0.060 176.332 176.094 0.297 0.000 1.018 2070 V CA -0.803 61.725 62.300 0.380 0.000 0.841 2070 V CB 1.155 33.138 31.823 0.266 0.000 0.991 2070 V HN 0.719 nan 8.190 nan 0.000 0.437 2071 K N 4.294 124.787 120.400 0.156 0.000 2.201 2071 K HA 0.692 5.012 4.320 0.000 0.000 0.278 2071 K C -1.336 175.243 176.600 -0.035 0.000 1.027 2071 K CA -0.365 55.748 56.287 -0.290 0.000 0.909 2071 K CB 1.536 33.901 32.500 -0.224 0.000 1.062 2071 K HN 0.502 nan 8.250 nan 0.000 0.465 2072 V N 3.502 123.374 119.914 -0.070 0.000 2.531 2072 V HA 0.358 4.478 4.120 0.000 0.000 0.301 2072 V C -0.295 175.812 176.094 0.021 0.000 1.034 2072 V CA -0.842 61.520 62.300 0.103 0.000 0.865 2072 V CB 1.625 33.635 31.823 0.312 0.000 0.995 2072 V HN 1.013 nan 8.190 nan 0.000 0.424 2073 T N 1.267 115.824 114.554 0.004 0.000 2.924 2073 T HA 0.971 5.321 4.350 0.000 0.000 0.291 2073 T C -0.488 174.216 174.700 0.006 0.000 1.045 2073 T CA -0.470 61.636 62.100 0.010 0.000 1.015 2073 T CB 2.343 71.207 68.868 -0.006 0.000 1.103 2073 T HN 1.431 nan 8.240 nan 0.000 0.496 2074 A N 0.483 123.344 122.820 0.068 0.000 2.612 2074 A HA 0.908 5.228 4.320 0.000 0.000 0.293 2074 A C -1.061 176.607 177.584 0.140 0.000 1.075 2074 A CA -0.756 51.353 52.037 0.120 0.000 0.680 2074 A CB 1.184 20.369 19.000 0.309 0.000 1.279 2074 A HN 1.721 nan 8.150 nan 0.000 0.411 2075 A N 1.115 124.025 122.820 0.149 0.000 2.330 2075 A HA 0.773 5.093 4.320 0.000 0.000 0.313 2075 A C -0.906 176.744 177.584 0.110 0.000 1.124 2075 A CA -0.270 51.823 52.037 0.094 0.000 0.774 2075 A CB 0.404 19.431 19.000 0.045 0.000 1.198 2075 A HN 0.765 nan 8.150 nan 0.000 0.465 2076 I N 1.947 122.528 120.570 0.017 0.000 2.436 2076 I HA 0.374 4.544 4.170 0.000 0.000 0.289 2076 I C -0.278 175.742 176.117 -0.163 0.000 1.010 2076 I CA -0.244 60.995 61.300 -0.103 0.000 1.098 2076 I CB 2.569 40.473 38.000 -0.160 0.000 1.266 2076 I HN 0.560 nan 8.210 nan 0.000 0.434 2077 T N 4.233 118.677 114.554 -0.184 0.000 2.797 2077 T HA 0.241 4.591 4.350 0.000 0.000 0.279 2077 T C -0.184 174.357 174.700 -0.265 0.000 0.991 2077 T CA -0.560 61.432 62.100 -0.181 0.000 0.979 2077 T CB 1.006 69.808 68.868 -0.111 0.000 0.943 2077 T HN 0.410 nan 8.240 nan 0.000 0.444 2078 N N 2.906 121.458 118.700 -0.245 0.000 2.500 2078 N HA 0.139 4.879 4.740 0.000 0.000 0.236 2078 N C 0.410 175.835 175.510 -0.142 0.000 1.022 2078 N CA -0.453 52.449 53.050 -0.247 0.000 0.935 2078 N CB 0.254 38.605 38.487 -0.228 0.000 1.147 2078 N HN 0.396 nan 8.380 nan 0.000 0.512 2079 N N 1.423 120.045 118.700 -0.130 0.000 2.461 2079 N HA -0.085 4.655 4.740 0.000 0.000 0.188 2079 N C -0.161 175.315 175.510 -0.057 0.000 1.134 2079 N CA 0.083 53.082 53.050 -0.086 0.000 0.878 2079 N CB -0.147 38.287 38.487 -0.089 0.000 0.972 2079 N HN 0.647 nan 8.380 nan 0.000 0.456 2080 H N 0.459 119.461 119.070 -0.114 0.000 2.897 2080 H HA 0.160 4.716 4.556 0.000 0.000 0.347 2080 H C 1.285 176.574 175.328 -0.065 0.000 1.068 2080 H CA 0.323 56.321 56.048 -0.084 0.000 1.426 2080 H CB 1.030 30.741 29.762 -0.085 0.000 1.410 2080 H HN 0.102 nan 8.280 nan 0.000 0.597 2081 A N 2.751 125.387 122.820 -0.306 0.000 1.930 2081 A HA -0.138 4.182 4.320 0.000 0.000 0.217 2081 A C 1.975 179.578 177.584 0.031 0.000 1.175 2081 A CA 2.110 54.071 52.037 -0.127 0.000 0.627 2081 A CB -0.470 18.419 19.000 -0.184 0.000 0.815 2081 A HN 0.872 nan 8.150 nan 0.000 0.443 2082 T N -4.832 109.865 114.554 0.238 0.000 3.010 2082 T HA 0.194 4.544 4.350 0.000 0.000 0.253 2082 T C 0.294 175.075 174.700 0.136 0.000 0.939 2082 T CA -0.224 61.983 62.100 0.177 0.000 0.910 2082 T CB 0.115 69.059 68.868 0.128 0.000 1.226 2082 T HN 0.215 nan 8.240 nan 0.000 0.508 2083 E N 1.683 121.963 120.200 0.134 0.000 2.242 2083 E HA 0.731 5.081 4.350 0.000 0.000 0.275 2083 E C -0.276 176.240 176.600 -0.139 0.000 1.002 2083 E CA -0.462 55.847 56.400 -0.152 0.000 0.841 2083 E CB 1.952 31.390 29.700 -0.437 0.000 1.109 2083 E HN 0.528 nan 8.360 nan 0.000 0.394 2084 A N 1.611 124.369 122.820 -0.103 0.000 2.247 2084 A HA 0.688 5.008 4.320 0.000 0.000 0.313 2084 A C -0.116 177.419 177.584 -0.083 0.000 1.109 2084 A CA -0.544 51.445 52.037 -0.081 0.000 0.890 2084 A CB 0.763 19.738 19.000 -0.043 0.000 1.239 2084 A HN 0.399 nan 8.150 nan 0.000 0.506 2085 V N -4.031 115.851 119.914 -0.054 0.000 3.078 2085 V HA 0.943 5.063 4.120 0.000 0.000 0.311 2085 V C -0.241 175.940 176.094 0.145 0.000 1.138 2085 V CA -0.323 61.993 62.300 0.028 0.000 1.007 2085 V CB 1.109 32.945 31.823 0.022 0.000 1.045 2085 V HN 1.895 nan 8.190 nan 0.000 0.432 2086 A N 2.594 125.554 122.820 0.233 0.000 2.454 2086 A HA 0.861 5.181 4.320 0.000 0.000 0.302 2086 A C -0.585 177.124 177.584 0.208 0.000 1.079 2086 A CA -0.985 51.199 52.037 0.245 0.000 0.731 2086 A CB 1.494 20.556 19.000 0.103 0.000 1.299 2086 A HN 1.089 nan 8.150 nan 0.000 0.413 2087 L N 1.828 123.064 121.223 0.021 0.000 2.514 2087 L HA 0.164 4.504 4.340 0.000 0.000 0.280 2087 L C 1.504 178.278 176.870 -0.161 0.000 1.223 2087 L CA 0.074 54.723 54.840 -0.319 0.000 0.864 2087 L CB 0.560 42.467 42.059 -0.253 0.000 1.118 2087 L HN 1.005 nan 8.230 nan 0.000 0.494 2088 T N -1.953 112.481 114.554 -0.200 0.000 2.770 2088 T HA 0.080 4.430 4.350 0.000 0.000 0.281 2088 T C 0.747 175.372 174.700 -0.125 0.000 0.981 2088 T CA -0.759 61.243 62.100 -0.162 0.000 0.955 2088 T CB 0.751 69.491 68.868 -0.214 0.000 1.060 2088 T HN 0.506 nan 8.240 nan 0.000 0.531 2089 D N -0.270 120.030 120.400 -0.165 0.000 2.178 2089 D HA -0.003 4.637 4.640 0.000 0.000 0.201 2089 D C 1.535 177.999 176.300 0.274 0.000 0.980 2089 D CA 1.029 55.026 54.000 -0.005 0.000 0.842 2089 D CB -0.225 40.524 40.800 -0.086 0.000 0.948 2089 D HN 0.467 nan 8.370 nan 0.000 0.472 2090 F N 0.185 120.079 119.950 -0.095 0.000 2.473 2090 F HA 0.243 4.770 4.527 0.000 0.000 0.294 2090 F C 2.187 177.945 175.800 -0.071 0.000 1.103 2090 F CA 0.450 58.431 58.000 -0.032 0.000 1.442 2090 F CB -0.941 38.016 39.000 -0.072 0.000 1.097 2090 F HN -0.022 nan 8.300 nan 0.000 0.547 2091 G N 2.625 111.458 108.800 0.054 0.000 2.672 2091 G HA2 -0.339 3.621 3.960 0.000 0.000 0.324 2091 G HA3 -0.339 3.621 3.960 0.000 0.000 0.324 2091 G C -1.119 173.761 174.900 -0.032 0.000 1.286 2091 G CA 0.555 45.602 45.100 -0.087 0.000 1.004 2091 G HN 0.209 nan 8.290 nan 0.000 0.548 2092 P HA 0.020 nan 4.420 nan 0.000 0.225 2092 P C 1.653 178.960 177.300 0.011 0.000 1.148 2092 P CA 2.406 65.515 63.100 0.015 0.000 0.779 2092 P CB -0.394 31.307 31.700 0.001 0.000 0.780 2093 A N 0.092 122.875 122.820 -0.061 0.000 2.121 2093 A HA -0.106 4.214 4.320 0.000 0.000 0.218 2093 A C 1.862 179.570 177.584 0.207 0.000 1.154 2093 A CA 1.059 53.049 52.037 -0.079 0.000 0.679 2093 A CB -1.016 17.819 19.000 -0.275 0.000 0.795 2093 A HN 0.129 nan 8.150 nan 0.000 0.458 2094 N N -0.327 118.497 118.700 0.207 0.000 2.314 2094 N HA 0.174 4.914 4.740 0.000 0.000 0.200 2094 N C 1.098 176.747 175.510 0.230 0.000 1.135 2094 N CA 0.092 53.287 53.050 0.243 0.000 0.835 2094 N CB 0.043 38.660 38.487 0.216 0.000 0.989 2094 N HN 0.479 nan 8.380 nan 0.000 0.478 2095 L N -0.279 121.113 121.223 0.283 0.000 2.141 2095 L HA -0.019 4.321 4.340 0.000 0.000 0.209 2095 L C 0.351 177.398 176.870 0.296 0.000 1.094 2095 L CA 0.827 55.863 54.840 0.327 0.000 0.763 2095 L CB 0.173 42.447 42.059 0.359 0.000 0.908 2095 L HN -0.112 nan 8.230 nan 0.000 0.437 2096 V N 0.050 120.061 119.914 0.161 0.000 2.370 2096 V HA 0.116 4.236 4.120 0.000 0.000 0.283 2096 V C 0.560 176.549 176.094 -0.175 0.000 1.023 2096 V CA -0.515 61.641 62.300 -0.240 0.000 0.857 2096 V CB 1.653 33.018 31.823 -0.762 0.000 0.985 2096 V HN 0.189 nan 8.190 nan 0.000 0.443 2097 Q N 3.509 123.220 119.800 -0.148 0.000 2.089 2097 Q HA 0.208 4.548 4.340 0.000 0.000 0.195 2097 Q C 0.552 176.452 176.000 -0.166 0.000 0.963 2097 Q CA 1.042 56.802 55.803 -0.071 0.000 0.834 2097 Q CB 0.421 29.154 28.738 -0.009 0.000 0.906 2097 Q HN 0.588 nan 8.270 nan 0.000 0.452 2098 R N -0.560 119.794 120.500 -0.243 0.000 2.668 2098 R HA 0.581 4.921 4.340 0.000 0.000 0.272 2098 R C -1.432 174.673 176.300 -0.325 0.000 1.019 2098 R CA -0.437 55.510 56.100 -0.256 0.000 0.894 2098 R CB 2.495 32.698 30.300 -0.162 0.000 1.228 2098 R HN -0.158 nan 8.270 nan 0.000 0.460 2099 V N 3.624 123.350 119.914 -0.313 0.000 2.588 2099 V HA 0.598 4.718 4.120 0.000 0.000 0.304 2099 V C -0.862 175.093 176.094 -0.231 0.000 1.042 2099 V CA -0.777 61.333 62.300 -0.317 0.000 0.877 2099 V CB 1.944 33.545 31.823 -0.370 0.000 0.996 2099 V HN 0.538 nan 8.190 nan 0.000 0.425 2100 I N 4.657 125.109 120.570 -0.196 0.000 2.569 2100 I HA 0.485 4.655 4.170 0.000 0.000 0.290 2100 I C -1.136 174.877 176.117 -0.173 0.000 1.088 2100 I CA -0.511 60.678 61.300 -0.184 0.000 1.047 2100 I CB 2.000 39.925 38.000 -0.126 0.000 1.237 2100 I HN 0.648 nan 8.210 nan 0.000 0.421 2101 Y N 6.011 126.089 120.300 -0.370 0.000 2.429 2101 Y HA 0.719 5.269 4.550 0.000 0.000 0.342 2101 Y C -1.732 173.902 175.900 -0.443 0.000 1.004 2101 Y CA -0.878 57.031 58.100 -0.319 0.000 1.075 2101 Y CB 1.396 39.697 38.460 -0.265 0.000 1.214 2101 Y HN 0.471 nan 8.280 nan 0.000 0.455 2102 Y N 4.141 123.877 120.300 -0.941 0.000 2.391 2102 Y HA 0.295 4.845 4.550 0.000 0.000 0.341 2102 Y C -0.264 175.052 175.900 -0.973 0.000 0.965 2102 Y CA -1.134 56.593 58.100 -0.621 0.000 1.067 2102 Y CB 1.301 39.566 38.460 -0.326 0.000 1.199 2102 Y HN 0.720 nan 8.280 nan 0.000 0.450 2103 D N 2.475 122.696 120.400 -0.298 0.000 2.433 2103 D HA 0.240 4.880 4.640 0.000 0.000 0.255 2103 D C -2.190 174.098 176.300 -0.022 0.000 1.226 2103 D CA -2.192 51.740 54.000 -0.113 0.000 1.015 2103 D CB 0.305 41.215 40.800 0.182 0.000 1.091 2103 D HN 0.163 nan 8.370 nan 0.000 0.527 2104 P HA -0.083 nan 4.420 nan 0.000 0.219 2104 P C 0.121 177.440 177.300 0.031 0.000 1.146 2104 P CA 1.104 64.219 63.100 0.025 0.000 0.808 2104 P CB 0.082 31.808 31.700 0.043 0.000 0.779 2105 D N -1.892 118.544 120.400 0.061 0.000 2.328 2105 D HA 0.019 4.659 4.640 0.000 0.000 0.226 2105 D C 0.332 176.669 176.300 0.061 0.000 1.066 2105 D CA 0.189 54.225 54.000 0.059 0.000 0.861 2105 D CB -1.028 39.818 40.800 0.077 0.000 0.912 2105 D HN 0.209 nan 8.370 nan 0.000 0.521 2106 N N 0.365 119.102 118.700 0.060 0.000 2.782 2106 N HA -0.245 4.495 4.740 0.000 0.000 0.251 2106 N C -0.224 175.404 175.510 0.197 0.000 1.101 2106 N CA 0.076 53.171 53.050 0.076 0.000 0.764 2106 N CB -0.413 38.072 38.487 -0.004 0.000 1.122 2106 N HN 0.135 nan 8.380 nan 0.000 0.561 2107 Q N 1.612 121.531 119.800 0.197 0.000 2.261 2107 Q HA 0.268 4.608 4.340 0.000 0.000 0.252 2107 Q C -0.241 175.891 176.000 0.220 0.000 0.915 2107 Q CA -0.281 55.638 55.803 0.194 0.000 0.915 2107 Q CB 0.903 29.724 28.738 0.138 0.000 1.204 2107 Q HN 0.260 nan 8.270 nan 0.000 0.421 2108 R N 3.725 124.279 120.500 0.089 0.000 2.438 2108 R HA 0.192 4.532 4.340 0.000 0.000 0.287 2108 R C -0.106 176.167 176.300 -0.044 0.000 1.077 2108 R CA 0.065 56.044 56.100 -0.201 0.000 1.034 2108 R CB 0.414 30.555 30.300 -0.263 0.000 0.993 2108 R HN 0.876 nan 8.270 nan 0.000 0.459 2109 H N 1.034 120.020 119.070 -0.140 0.000 4.873 2109 H HA 0.148 4.704 4.556 0.000 0.000 0.150 2109 H C 0.038 175.262 175.328 -0.173 0.000 1.395 2109 H CA -0.460 55.545 56.048 -0.071 0.000 0.838 2109 H CB 0.134 29.940 29.762 0.073 0.000 1.471 2109 H HN 0.442 nan 8.280 nan 0.000 0.374 2110 T N 1.792 116.323 114.554 -0.039 0.000 2.928 2110 T HA 0.011 4.361 4.350 0.000 0.000 0.305 2110 T C 0.250 174.858 174.700 -0.154 0.000 1.035 2110 T CA 0.606 62.606 62.100 -0.168 0.000 1.145 2110 T CB 0.242 68.972 68.868 -0.229 0.000 0.963 2110 T HN 0.368 nan 8.240 nan 0.000 0.545 2111 E N 2.396 122.515 120.200 -0.135 0.000 2.649 2111 E HA 0.334 4.684 4.350 0.000 0.000 0.310 2111 E C -0.997 175.548 176.600 -0.092 0.000 1.036 2111 E CA -0.328 55.999 56.400 -0.120 0.000 0.772 2111 E CB 1.099 30.748 29.700 -0.085 0.000 1.513 2111 E HN 0.665 nan 8.360 nan 0.000 0.384 2112 T N 0.469 114.937 114.554 -0.143 0.000 2.671 2112 T HA 0.407 4.757 4.350 0.000 0.000 0.300 2112 T C -0.893 173.649 174.700 -0.263 0.000 1.238 2112 T CA -0.172 61.837 62.100 -0.153 0.000 1.020 2112 T CB 1.211 70.051 68.868 -0.047 0.000 1.503 2112 T HN 0.356 nan 8.240 nan 0.000 0.497 2113 S N -0.066 115.392 115.700 -0.403 0.000 2.610 2113 S HA 0.494 4.964 4.470 0.000 0.000 0.273 2113 S C 1.603 175.893 174.600 -0.516 0.000 1.274 2113 S CA 0.014 57.891 58.200 -0.538 0.000 1.023 2113 S CB 0.930 63.516 63.200 -1.023 0.000 0.962 2113 S HN 1.063 nan 8.310 nan 0.000 0.523 2114 G N 1.297 109.869 108.800 -0.381 0.000 2.422 2114 G HA2 -0.181 3.779 3.960 0.000 0.000 0.218 2114 G HA3 -0.181 3.779 3.960 0.000 0.000 0.218 2114 G C 1.316 176.177 174.900 -0.065 0.000 1.146 2114 G CA 0.774 45.705 45.100 -0.281 0.000 0.769 2114 G HN 0.960 nan 8.290 nan 0.000 0.547 2115 W N 0.209 121.457 121.300 -0.088 0.000 2.363 2115 W HA -0.055 4.605 4.660 0.000 0.000 0.296 2115 W C 1.797 178.003 176.519 -0.522 0.000 1.212 2115 W CA 0.878 57.977 57.345 -0.410 0.000 1.260 2115 W CB -1.087 28.100 29.460 -0.455 0.000 1.131 2115 W HN 0.424 nan 8.180 nan 0.000 0.530 2116 H N 1.172 119.826 119.070 -0.695 0.000 2.326 2116 H HA -0.178 4.378 4.556 0.000 0.000 0.301 2116 H C 2.366 177.569 175.328 -0.209 0.000 1.081 2116 H CA 1.767 57.557 56.048 -0.430 0.000 1.334 2116 H CB -0.098 29.220 29.762 -0.741 0.000 1.385 2116 H HN 0.104 nan 8.280 nan 0.000 0.504 2117 L N 1.032 122.013 121.223 -0.403 0.000 2.042 2117 L HA -0.207 4.133 4.340 0.000 0.000 0.210 2117 L C 2.541 179.306 176.870 -0.174 0.000 1.076 2117 L CA 2.429 57.070 54.840 -0.332 0.000 0.749 2117 L CB -1.155 40.772 42.059 -0.219 0.000 0.893 2117 L HN 0.371 nan 8.230 nan 0.000 0.432 2118 H N -1.067 117.917 119.070 -0.143 0.000 2.353 2118 H HA -0.183 4.373 4.556 0.000 0.000 0.300 2118 H C 1.930 177.233 175.328 -0.042 0.000 1.090 2118 H CA 2.223 58.184 56.048 -0.144 0.000 1.327 2118 H CB -0.545 29.108 29.762 -0.182 0.000 1.383 2118 H HN 0.468 nan 8.280 nan 0.000 0.508 2119 F N -0.771 119.085 119.950 -0.156 0.000 2.216 2119 F HA -0.155 4.372 4.527 0.000 0.000 0.300 2119 F C 2.508 178.255 175.800 -0.088 0.000 1.085 2119 F CA 0.539 58.498 58.000 -0.069 0.000 1.326 2119 F CB -0.032 38.961 39.000 -0.011 0.000 1.027 2119 F HN 0.083 nan 8.300 nan 0.000 0.497 2120 V N 0.248 120.162 119.914 -0.000 0.000 2.453 2120 V HA -0.282 3.838 4.120 0.000 0.000 0.247 2120 V C 1.638 177.671 176.094 -0.101 0.000 1.048 2120 V CA 1.951 64.229 62.300 -0.036 0.000 1.049 2120 V CB -0.783 30.951 31.823 -0.149 0.000 0.672 2120 V HN 0.378 nan 8.190 nan 0.000 0.457 2121 N N -0.266 118.278 118.700 -0.260 0.000 2.104 2121 N HA -0.184 4.556 4.740 0.000 0.000 0.190 2121 N C 1.839 177.201 175.510 -0.247 0.000 1.024 2121 N CA 1.790 54.555 53.050 -0.474 0.000 0.853 2121 N CB -0.208 37.550 38.487 -1.215 0.000 1.008 2121 N HN 0.411 nan 8.380 nan 0.000 0.424 2122 T N 0.603 115.046 114.554 -0.185 0.000 2.708 2122 T HA -0.103 4.247 4.350 0.000 0.000 0.266 2122 T C 2.067 176.732 174.700 -0.059 0.000 1.037 2122 T CA 1.220 63.286 62.100 -0.055 0.000 1.146 2122 T CB -0.342 68.469 68.868 -0.095 0.000 0.865 2122 T HN 0.333 nan 8.240 nan 0.000 0.435 2123 A N 1.644 124.439 122.820 -0.040 0.000 1.908 2123 A HA -0.158 4.162 4.320 0.000 0.000 0.218 2123 A C 2.207 179.781 177.584 -0.015 0.000 1.181 2123 A CA 1.696 53.675 52.037 -0.097 0.000 0.627 2123 A CB -0.425 18.485 19.000 -0.151 0.000 0.818 2123 A HN 0.478 nan 8.150 nan 0.000 0.445 2124 K N -0.961 119.437 120.400 -0.004 0.000 2.296 2124 K HA -0.084 4.236 4.320 0.000 0.000 0.200 2124 K C 2.225 178.812 176.600 -0.021 0.000 1.048 2124 K CA 1.139 57.417 56.287 -0.015 0.000 0.966 2124 K CB -0.032 32.434 32.500 -0.057 0.000 0.754 2124 K HN 0.695 nan 8.250 nan 0.000 0.466 2125 Q N -0.045 119.759 119.800 0.007 0.000 2.212 2125 Q HA -0.063 4.277 4.340 0.000 0.000 0.199 2125 Q C 0.770 176.760 176.000 -0.016 0.000 0.950 2125 Q CA 1.213 57.027 55.803 0.018 0.000 0.863 2125 Q CB 0.378 29.179 28.738 0.104 0.000 0.944 2125 Q HN 0.389 nan 8.270 nan 0.000 0.465 2126 G N -0.522 108.260 108.800 -0.029 0.000 2.141 2126 G HA2 -0.144 3.816 3.960 0.000 0.000 0.231 2126 G HA3 -0.144 3.816 3.960 0.000 0.000 0.231 2126 G C -0.059 174.800 174.900 -0.069 0.000 0.984 2126 G CA 0.164 45.237 45.100 -0.044 0.000 0.660 2126 G HN 0.832 nan 8.290 nan 0.000 0.525 2127 A N -1.319 121.457 122.820 -0.074 0.000 2.567 2127 A HA 0.785 5.105 4.320 0.000 0.000 0.291 2127 A C -3.152 174.395 177.584 -0.061 0.000 1.048 2127 A CA -0.692 51.293 52.037 -0.087 0.000 0.661 2127 A CB 0.622 19.582 19.000 -0.066 0.000 1.288 2127 A HN 0.171 nan 8.150 nan 0.000 0.424 2128 P HA 0.124 nan 4.420 nan 0.000 0.258 2128 P C -0.361 177.000 177.300 0.101 0.000 1.172 2128 P CA 0.535 63.645 63.100 0.017 0.000 0.762 2128 P CB -0.135 31.577 31.700 0.020 0.000 0.764 2129 F N 5.804 125.749 119.950 -0.008 0.000 2.580 2129 F HA -0.058 4.469 4.527 0.000 0.000 0.398 2129 F C 1.142 176.961 175.800 0.030 0.000 1.023 2129 F CA 0.344 58.351 58.000 0.012 0.000 1.188 2129 F CB -0.462 38.566 39.000 0.046 0.000 1.005 2129 F HN 0.271 nan 8.300 nan 0.000 0.546 2130 L N 3.560 124.444 121.223 -0.565 0.000 3.839 2130 L HA -0.321 4.019 4.340 0.000 0.000 0.416 2130 L C 0.614 177.340 176.870 -0.241 0.000 1.195 2130 L CA 0.552 55.070 54.840 -0.538 0.000 0.946 2130 L CB -2.383 39.203 42.059 -0.789 0.000 1.891 2130 L HN 0.720 nan 8.230 nan 0.000 0.963 2131 S N -1.862 113.759 115.700 -0.131 0.000 2.632 2131 S HA 0.532 5.002 4.470 0.000 0.000 0.267 2131 S C 0.302 174.855 174.600 -0.078 0.000 1.276 2131 S CA -0.058 58.102 58.200 -0.067 0.000 0.998 2131 S CB 2.195 65.380 63.200 -0.024 0.000 0.953 2131 S HN 0.270 nan 8.310 nan 0.000 0.547 2132 S N 1.876 117.546 115.700 -0.050 0.000 2.438 2132 S HA 0.454 4.925 4.470 0.000 0.000 0.316 2132 S C -0.052 174.528 174.600 -0.034 0.000 1.084 2132 S CA -1.016 57.158 58.200 -0.043 0.000 1.107 2132 S CB -0.388 62.798 63.200 -0.024 0.000 0.981 2132 S HN 0.783 nan 8.310 nan 0.000 0.466 2133 M N 4.298 123.871 119.600 -0.046 0.000 2.242 2133 M HA 0.563 5.043 4.480 0.000 0.000 0.344 2133 M C -0.904 175.378 176.300 -0.030 0.000 1.140 2133 M CA -0.444 54.831 55.300 -0.042 0.000 1.160 2133 M CB 0.608 33.173 32.600 -0.058 0.000 1.491 2133 M HN 0.248 nan 8.290 nan 0.000 0.459 2134 V N 2.842 122.743 119.914 -0.022 0.000 2.439 2134 V HA 0.585 4.705 4.120 0.000 0.000 0.282 2134 V C 0.495 176.579 176.094 -0.017 0.000 1.039 2134 V CA -0.138 62.156 62.300 -0.011 0.000 0.913 2134 V CB 1.134 32.955 31.823 -0.004 0.000 0.983 2134 V HN 1.110 nan 8.190 nan 0.000 0.460 2135 T N -0.225 114.323 114.554 -0.010 0.000 2.804 2135 T HA 0.352 4.702 4.350 0.000 0.000 0.290 2135 T C 0.265 174.967 174.700 0.004 0.000 1.099 2135 T CA -0.250 61.841 62.100 -0.015 0.000 1.011 2135 T CB 1.893 70.737 68.868 -0.039 0.000 1.291 2135 T HN 0.622 nan 8.240 nan 0.000 0.523 2136 D N -0.158 120.243 120.400 0.002 0.000 2.328 2136 D HA 0.079 4.719 4.640 0.000 0.000 0.226 2136 D C 0.637 176.952 176.300 0.026 0.000 1.066 2136 D CA -0.194 53.813 54.000 0.011 0.000 0.861 2136 D CB -0.346 40.457 40.800 0.005 0.000 0.912 2136 D HN 0.384 nan 8.370 nan 0.000 0.521 2137 S N 1.814 117.538 115.700 0.041 0.000 2.525 2137 S HA 0.090 4.560 4.470 0.000 0.000 0.285 2137 S C -1.043 173.610 174.600 0.088 0.000 1.283 2137 S CA -0.930 57.319 58.200 0.082 0.000 1.072 2137 S CB 1.014 64.308 63.200 0.156 0.000 0.867 2137 S HN 0.098 nan 8.310 nan 0.000 0.492 2138 P HA 0.070 nan 4.420 nan 0.000 0.225 2138 P C 0.138 177.455 177.300 0.029 0.000 1.156 2138 P CA 0.312 63.435 63.100 0.039 0.000 0.787 2138 P CB -0.031 31.683 31.700 0.025 0.000 0.802 2139 I N 1.112 121.713 120.570 0.052 0.000 2.648 2139 I HA -0.023 4.147 4.170 0.000 0.000 0.284 2139 I C 1.362 177.427 176.117 -0.087 0.000 1.153 2139 I CA 0.292 61.566 61.300 -0.044 0.000 1.426 2139 I CB 0.191 38.160 38.000 -0.052 0.000 1.381 2139 I HN -0.271 nan 8.210 nan 0.000 0.571 2140 K N 6.508 126.801 120.400 -0.179 0.000 3.233 2140 K HA 0.079 4.399 4.320 0.000 0.000 0.283 2140 K C -0.724 175.782 176.600 -0.157 0.000 1.209 2140 K CA 0.004 56.214 56.287 -0.129 0.000 1.197 2140 K CB -0.543 31.899 32.500 -0.096 0.000 1.431 2140 K HN 0.385 nan 8.250 nan 0.000 0.326 2141 Y N 0.352 120.640 120.300 -0.020 0.000 2.281 2141 Y HA 0.318 4.868 4.550 0.000 0.000 0.337 2141 Y C 1.542 177.428 175.900 -0.023 0.000 1.304 2141 Y CA 0.542 58.627 58.100 -0.025 0.000 1.465 2141 Y CB 0.936 39.380 38.460 -0.028 0.000 1.350 2141 Y HN 0.428 nan 8.280 nan 0.000 0.575 2142 G N 0.160 109.054 108.800 0.155 0.000 2.302 2142 G HA2 -0.052 3.908 3.960 0.000 0.000 0.264 2142 G HA3 -0.052 3.908 3.960 0.000 0.000 0.264 2142 G C -1.776 173.148 174.900 0.039 0.000 1.335 2142 G CA -0.829 44.315 45.100 0.074 0.000 0.982 2142 G HN 0.531 nan 8.290 nan 0.000 0.473 2143 D N 0.574 120.988 120.400 0.023 0.000 2.517 2143 D HA 0.454 5.094 4.640 0.000 0.000 0.220 2143 D C 1.383 177.690 176.300 0.011 0.000 1.158 2143 D CA 0.084 54.092 54.000 0.012 0.000 0.992 2143 D CB 0.714 41.521 40.800 0.012 0.000 1.058 2143 D HN 0.250 nan 8.370 nan 0.000 0.516 2144 V N 2.844 122.763 119.914 0.008 0.000 2.685 2144 V HA -0.027 4.093 4.120 0.000 0.000 0.244 2144 V C 1.857 177.953 176.094 0.003 0.000 1.054 2144 V CA 0.788 63.089 62.300 0.002 0.000 1.076 2144 V CB -0.126 31.694 31.823 -0.005 0.000 0.725 2144 V HN 0.558 nan 8.190 nan 0.000 0.467 2145 M N -0.467 119.134 119.600 0.001 0.000 2.371 2145 M HA 0.293 4.773 4.480 0.000 0.000 0.246 2145 M C 0.362 176.675 176.300 0.022 0.000 1.103 2145 M CA 0.071 55.375 55.300 0.006 0.000 1.010 2145 M CB -0.589 32.006 32.600 -0.009 0.000 1.457 2145 M HN 0.378 nan 8.290 nan 0.000 0.486 2146 N N 1.194 119.906 118.700 0.020 0.000 2.699 2146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 2146 N C 1.029 176.577 175.510 0.063 0.000 0.993 2146 N CA 0.275 53.347 53.050 0.037 0.000 0.759 2146 N CB -1.228 37.286 38.487 0.045 0.000 0.906 2146 N HN 0.155 nan 8.380 nan 0.000 0.541 2147 V N -0.222 119.713 119.914 0.034 0.000 2.287 2147 V HA -0.113 4.007 4.120 0.000 0.000 0.248 2147 V C 1.409 177.605 176.094 0.170 0.000 1.053 2147 V CA 1.563 63.896 62.300 0.055 0.000 1.027 2147 V CB 0.014 31.752 31.823 -0.143 0.000 0.646 2147 V HN 0.410 nan 8.190 nan 0.000 0.447 2148 I N 0.491 121.112 120.570 0.084 0.000 2.410 2148 I HA 0.485 4.655 4.170 0.000 0.000 0.286 2148 I C -1.130 175.024 176.117 0.061 0.000 1.009 2148 I CA -0.299 61.060 61.300 0.098 0.000 1.111 2148 I CB 1.725 39.765 38.000 0.067 0.000 1.262 2148 I HN 0.231 nan 8.210 nan 0.000 0.443 2149 D N 5.488 125.929 120.400 0.068 0.000 2.736 2149 D HA 0.801 5.441 4.640 0.000 0.000 0.223 2149 D C -1.590 174.754 176.300 0.073 0.000 1.231 2149 D CA -0.320 53.717 54.000 0.062 0.000 0.818 2149 D CB 2.321 43.160 40.800 0.065 0.000 1.587 2149 D HN 0.674 nan 8.370 nan 0.000 0.463 2150 A N 2.575 125.441 122.820 0.077 0.000 2.532 2150 A HA 0.625 4.945 4.320 0.000 0.000 0.296 2150 A C -2.821 174.842 177.584 0.131 0.000 1.058 2150 A CA -1.152 50.955 52.037 0.116 0.000 0.729 2150 A CB 1.400 20.451 19.000 0.086 0.000 1.285 2150 A HN 0.434 nan 8.150 nan 0.000 0.396 2151 P HA 0.311 nan 4.420 nan 0.000 0.268 2151 P C 0.977 178.404 177.300 0.212 0.000 1.204 2151 P CA 0.449 63.644 63.100 0.158 0.000 0.768 2151 P CB 1.320 33.094 31.700 0.123 0.000 0.842 2152 A N 3.514 126.415 122.820 0.136 0.000 1.978 2152 A HA -0.027 4.293 4.320 0.000 0.000 0.220 2152 A C 1.101 178.800 177.584 0.192 0.000 1.170 2152 A CA 1.870 53.981 52.037 0.123 0.000 0.636 2152 A CB -0.924 18.120 19.000 0.073 0.000 0.810 2152 A HN 0.736 nan 8.150 nan 0.000 0.448 2153 T N -3.721 110.940 114.554 0.179 0.000 2.883 2153 T HA 0.678 5.028 4.350 0.000 0.000 0.301 2153 T C -0.862 173.866 174.700 0.045 0.000 1.158 2153 T CA -0.626 61.564 62.100 0.150 0.000 1.007 2153 T CB 1.514 70.424 68.868 0.069 0.000 1.186 2153 T HN 0.177 nan 8.240 nan 0.000 0.499 2154 I N 1.698 122.220 120.570 -0.080 0.000 2.439 2154 I HA 0.577 4.747 4.170 0.000 0.000 0.283 2154 I C 0.662 176.701 176.117 -0.130 0.000 1.023 2154 I CA -1.143 60.050 61.300 -0.179 0.000 1.100 2154 I CB 1.465 39.218 38.000 -0.410 0.000 1.238 2154 I HN 1.030 nan 8.210 nan 0.000 0.445 2155 A N 4.660 127.431 122.820 -0.082 0.000 2.327 2155 A HA 0.700 5.020 4.320 0.000 0.000 0.255 2155 A C 0.625 178.169 177.584 -0.066 0.000 1.099 2155 A CA -0.245 51.757 52.037 -0.059 0.000 0.801 2155 A CB 0.394 19.373 19.000 -0.035 0.000 1.062 2155 A HN 0.835 nan 8.150 nan 0.000 0.496 2156 A N -0.358 122.440 122.820 -0.037 0.000 2.548 2156 A HA 0.467 4.787 4.320 0.000 0.000 0.247 2156 A C 1.598 179.164 177.584 -0.030 0.000 1.067 2156 A CA 0.855 52.883 52.037 -0.014 0.000 0.757 2156 A CB -1.090 17.927 19.000 0.029 0.000 0.996 2156 A HN 2.735 nan 8.150 nan 0.000 0.504 2157 G N 0.899 109.673 108.800 -0.044 0.000 2.199 2157 G HA2 0.122 4.082 3.960 0.000 0.000 0.254 2157 G HA3 0.122 4.082 3.960 0.000 0.000 0.254 2157 G C 0.580 175.446 174.900 -0.058 0.000 0.982 2157 G CA 0.589 45.660 45.100 -0.049 0.000 0.632 2157 G HN 2.158 nan 8.290 nan 0.000 0.529 2158 A N -0.492 122.286 122.820 -0.071 0.000 2.264 2158 A HA 0.845 5.165 4.320 0.000 0.000 0.304 2158 A C 0.277 177.803 177.584 -0.096 0.000 1.100 2158 A CA 0.704 52.697 52.037 -0.072 0.000 0.839 2158 A CB 1.027 19.986 19.000 -0.067 0.000 1.121 2158 A HN 0.716 nan 8.150 nan 0.000 0.496 2159 T N 0.511 115.019 114.554 -0.077 0.000 2.812 2159 T HA 0.618 4.968 4.350 0.000 0.000 0.282 2159 T C 0.167 174.829 174.700 -0.063 0.000 0.990 2159 T CA 0.054 62.107 62.100 -0.079 0.000 0.960 2159 T CB 1.555 70.394 68.868 -0.049 0.000 0.948 2159 T HN 1.043 nan 8.240 nan 0.000 0.438 2160 G N 1.850 110.603 108.800 -0.077 0.000 2.420 2160 G HA2 0.647 4.607 3.960 0.000 0.000 0.331 2160 G HA3 0.647 4.607 3.960 0.000 0.000 0.331 2160 G C -0.948 173.965 174.900 0.022 0.000 1.168 2160 G CA -0.603 44.480 45.100 -0.029 0.000 0.936 2160 G HN 0.489 nan 8.290 nan 0.000 0.479 2161 E N 0.967 121.198 120.200 0.051 0.000 2.171 2161 E HA 0.444 4.794 4.350 0.000 0.000 0.271 2161 E C -0.384 176.275 176.600 0.099 0.000 0.916 2161 E CA -0.399 56.042 56.400 0.068 0.000 0.774 2161 E CB 2.373 32.102 29.700 0.048 0.000 1.128 2161 E HN 0.313 nan 8.360 nan 0.000 0.403 2162 L N 1.019 122.312 121.223 0.118 0.000 2.341 2162 L HA 0.665 5.005 4.340 0.000 0.000 0.267 2162 L C -0.060 176.870 176.870 0.099 0.000 1.009 2162 L CA -0.885 54.032 54.840 0.128 0.000 0.819 2162 L CB 2.058 44.225 42.059 0.179 0.000 1.323 2162 L HN 0.315 nan 8.230 nan 0.000 0.425 2163 T N 2.217 116.825 114.554 0.089 0.000 2.921 2163 T HA 0.672 5.022 4.350 0.000 0.000 0.297 2163 T C -0.828 173.912 174.700 0.066 0.000 1.013 2163 T CA -0.425 61.717 62.100 0.071 0.000 0.990 2163 T CB 2.230 71.162 68.868 0.106 0.000 1.023 2163 T HN 0.494 nan 8.240 nan 0.000 0.447 2164 M N 3.049 122.652 119.600 0.005 0.000 2.484 2164 M HA 0.689 5.169 4.480 0.000 0.000 0.289 2164 M C -2.388 173.845 176.300 -0.112 0.000 1.206 2164 M CA -0.736 54.543 55.300 -0.035 0.000 0.892 2164 M CB 1.748 34.300 32.600 -0.080 0.000 1.712 2164 M HN 0.629 nan 8.290 nan 0.000 0.462 2165 Y N 2.569 122.823 120.300 -0.076 0.000 2.477 2165 Y HA 0.694 5.244 4.550 0.000 0.000 0.347 2165 Y C -1.574 174.359 175.900 0.054 0.000 0.981 2165 Y CA -0.349 57.816 58.100 0.109 0.000 1.033 2165 Y CB 2.085 40.664 38.460 0.199 0.000 1.245 2165 Y HN 0.619 nan 8.280 nan 0.000 0.455 2166 Y N 1.334 121.921 120.300 0.477 0.000 2.477 2166 Y HA 0.268 4.818 4.550 0.000 0.000 0.347 2166 Y C -0.944 175.180 175.900 0.373 0.000 0.981 2166 Y CA -1.505 56.779 58.100 0.308 0.000 1.033 2166 Y CB 1.956 40.475 38.460 0.098 0.000 1.245 2166 Y HN 0.644 nan 8.280 nan 0.000 0.455 2167 W N 5.187 126.586 121.300 0.164 0.000 2.329 2167 W HA 0.653 5.313 4.660 0.000 0.000 0.312 2167 W C -1.835 174.711 176.519 0.044 0.000 1.054 2167 W CA -1.001 56.427 57.345 0.138 0.000 1.245 2167 W CB 1.402 30.907 29.460 0.075 0.000 1.255 2167 W HN 0.302 nan 8.180 nan 0.000 0.436 2168 V N 9.454 129.071 119.914 -0.495 0.000 2.334 2168 V HA 0.181 4.301 4.120 0.000 0.000 0.267 2168 V C -1.592 174.009 176.094 -0.822 0.000 1.040 2168 V CA -1.580 60.440 62.300 -0.467 0.000 0.866 2168 V CB 0.909 32.579 31.823 -0.256 0.000 1.019 2168 V HN 0.365 nan 8.190 nan 0.000 0.468 2169 P HA 0.370 nan 4.420 nan 0.000 0.284 2169 P C 0.069 177.245 177.300 -0.208 0.000 1.253 2169 P CA -0.273 62.639 63.100 -0.314 0.000 0.800 2169 P CB 2.438 34.256 31.700 0.197 0.000 0.961 2170 L N 1.486 122.642 121.223 -0.112 0.000 2.675 2170 L HA 0.317 4.657 4.340 0.000 0.000 0.178 2170 L C 1.387 178.393 176.870 0.228 0.000 1.135 2170 L CA 0.120 54.919 54.840 -0.069 0.000 0.855 2170 L CB -0.833 41.066 42.059 -0.268 0.000 1.235 2170 L HN 0.325 nan 8.230 nan 0.000 0.499 2171 A N -0.934 121.999 122.820 0.188 0.000 2.407 2171 A HA -0.010 4.310 4.320 0.000 0.000 0.248 2171 A C 0.544 178.320 177.584 0.319 0.000 1.082 2171 A CA -0.003 52.170 52.037 0.228 0.000 0.785 2171 A CB -0.012 19.080 19.000 0.153 0.000 1.020 2171 A HN 0.359 nan 8.150 nan 0.000 0.489 2172 Y N 2.220 122.542 120.300 0.036 0.000 2.181 2172 Y HA -0.031 4.519 4.550 0.000 0.000 0.288 2172 Y C 1.227 177.113 175.900 -0.024 0.000 1.146 2172 Y CA 1.739 59.688 58.100 -0.252 0.000 1.164 2172 Y CB 0.016 38.332 38.460 -0.239 0.000 0.982 2172 Y HN 0.874 nan 8.280 nan 0.000 0.515 2173 S N -2.470 113.228 115.700 -0.003 0.000 2.727 2173 S HA 0.264 4.734 4.470 0.000 0.000 0.278 2173 S C 0.306 174.909 174.600 0.004 0.000 1.186 2173 S CA -0.647 57.505 58.200 -0.080 0.000 0.836 2173 S CB 1.098 64.224 63.200 -0.123 0.000 1.186 2173 S HN 0.078 nan 8.310 nan 0.000 0.499 2174 E N 1.107 121.281 120.200 -0.045 0.000 2.274 2174 E HA -0.006 4.344 4.350 0.000 0.000 0.194 2174 E C 1.681 178.274 176.600 -0.011 0.000 0.996 2174 E CA 1.825 58.202 56.400 -0.037 0.000 0.840 2174 E CB -0.323 29.326 29.700 -0.084 0.000 0.772 2174 E HN 0.849 nan 8.360 nan 0.000 0.491 2175 T N -2.477 112.079 114.554 0.003 0.000 2.985 2175 T HA 0.057 4.407 4.350 0.000 0.000 0.254 2175 T C 0.423 175.143 174.700 0.034 0.000 1.021 2175 T CA -0.312 61.795 62.100 0.013 0.000 0.957 2175 T CB 0.434 69.306 68.868 0.008 0.000 1.047 2175 T HN -0.209 nan 8.240 nan 0.000 0.511 2176 D N 1.221 121.664 120.400 0.071 0.000 2.461 2176 D HA 0.307 4.947 4.640 0.000 0.000 0.240 2176 D C 0.673 177.021 176.300 0.080 0.000 1.094 2176 D CA -0.680 53.372 54.000 0.086 0.000 0.868 2176 D CB 0.946 41.861 40.800 0.191 0.000 1.062 2176 D HN 0.213 nan 8.370 nan 0.000 0.530 2177 L N 2.439 123.680 121.223 0.030 0.000 2.627 2177 L HA 0.071 4.411 4.340 0.000 0.000 0.233 2177 L C 0.779 177.651 176.870 0.004 0.000 1.144 2177 L CA 0.214 55.071 54.840 0.029 0.000 0.892 2177 L CB -0.406 41.660 42.059 0.012 0.000 1.039 2177 L HN 0.257 nan 8.230 nan 0.000 0.442 2178 T N 0.787 115.307 114.554 -0.057 0.000 2.871 2178 T HA 0.226 4.576 4.350 0.000 0.000 0.296 2178 T C 1.248 175.928 174.700 -0.032 0.000 0.998 2178 T CA 1.085 63.069 62.100 -0.193 0.000 1.162 2178 T CB 0.866 69.392 68.868 -0.570 0.000 0.947 2178 T HN 0.639 nan 8.240 nan 0.000 0.536 2179 G N 2.128 110.940 108.800 0.020 0.000 2.234 2179 G HA2 -0.097 3.863 3.960 0.000 0.000 0.235 2179 G HA3 -0.097 3.863 3.960 0.000 0.000 0.235 2179 G C 0.390 175.402 174.900 0.187 0.000 0.997 2179 G CA -0.020 45.200 45.100 0.199 0.000 0.623 2179 G HN 1.161 nan 8.290 nan 0.000 0.514 2180 A N -0.406 122.479 122.820 0.109 0.000 2.429 2180 A HA 0.613 4.933 4.320 0.000 0.000 0.242 2180 A C 0.393 178.019 177.584 0.070 0.000 1.088 2180 A CA 0.914 52.990 52.037 0.065 0.000 0.784 2180 A CB 0.786 19.812 19.000 0.044 0.000 1.038 2180 A HN 1.230 nan 8.150 nan 0.000 0.501 2181 V N 1.900 121.834 119.914 0.032 0.000 2.487 2181 V HA 0.301 4.421 4.120 0.000 0.000 0.298 2181 V C -0.554 175.568 176.094 0.046 0.000 1.028 2181 V CA -0.514 61.822 62.300 0.060 0.000 0.860 2181 V CB 1.425 33.281 31.823 0.055 0.000 0.991 2181 V HN 0.781 nan 8.190 nan 0.000 0.427 2182 L N 5.449 126.704 121.223 0.054 0.000 2.295 2182 L HA 0.664 5.004 4.340 0.000 0.000 0.288 2182 L C 0.576 177.473 176.870 0.045 0.000 1.079 2182 L CA 0.178 55.039 54.840 0.034 0.000 0.830 2182 L CB 0.684 42.764 42.059 0.036 0.000 1.200 2182 L HN 0.743 nan 8.230 nan 0.000 0.438 2183 A N 4.825 127.662 122.820 0.028 0.000 2.937 2183 A HA 0.416 4.736 4.320 0.000 0.000 0.338 2183 A C 0.341 177.933 177.584 0.012 0.000 1.273 2183 A CA -0.435 51.619 52.037 0.029 0.000 0.937 2183 A CB -0.581 18.437 19.000 0.030 0.000 1.133 2183 A HN 0.805 nan 8.150 nan 0.000 0.491 2184 N N 0.489 119.208 118.700 0.032 0.000 2.193 2184 N HA 0.007 4.747 4.740 0.000 0.000 0.210 2184 N C -0.340 175.196 175.510 0.043 0.000 1.215 2184 N CA 0.136 53.212 53.050 0.042 0.000 0.901 2184 N CB -0.010 38.525 38.487 0.079 0.000 1.060 2184 N HN 0.152 nan 8.380 nan 0.000 0.508 2185 V N 3.206 123.143 119.914 0.038 0.000 2.400 2185 V HA 0.184 4.304 4.120 0.000 0.000 0.263 2185 V C -2.141 173.966 176.094 0.022 0.000 1.026 2185 V CA -0.813 61.506 62.300 0.032 0.000 1.077 2185 V CB -0.327 31.515 31.823 0.031 0.000 1.054 2185 V HN 0.074 nan 8.190 nan 0.000 0.477 2186 P HA 0.406 nan 4.420 nan 0.000 0.271 2186 P C 0.588 177.893 177.300 0.009 0.000 1.220 2186 P CA 1.187 64.295 63.100 0.013 0.000 0.768 2186 P CB 0.719 32.427 31.700 0.014 0.000 0.848 2187 Q N -0.224 119.578 119.800 0.004 0.000 2.376 2187 Q HA -0.194 4.146 4.340 0.000 0.000 0.187 2187 Q C 0.558 176.555 176.000 -0.004 0.000 0.603 2187 Q CA 1.493 57.296 55.803 -0.001 0.000 1.346 2187 Q CB -2.875 25.862 28.738 -0.000 0.000 1.243 2187 Q HN 0.780 nan 8.270 nan 0.000 0.930 2188 S N 0.973 116.673 115.700 -0.000 0.000 2.516 2188 S HA 0.600 5.070 4.470 0.000 0.000 0.268 2188 S C 0.079 174.675 174.600 -0.005 0.000 1.251 2188 S CA 0.059 58.257 58.200 -0.004 0.000 1.153 2188 S CB 0.147 63.351 63.200 0.006 0.000 1.009 2188 S HN 0.958 nan 8.310 nan 0.000 0.479 2189 K N 1.520 121.909 120.400 -0.018 0.000 2.154 2189 K HA 0.515 4.835 4.320 0.000 0.000 0.264 2189 K C -0.173 176.404 176.600 -0.039 0.000 1.008 2189 K CA -0.604 55.671 56.287 -0.020 0.000 0.937 2189 K CB 0.711 33.195 32.500 -0.027 0.000 1.002 2189 K HN 0.591 nan 8.250 nan 0.000 0.469 2190 Q N 0.768 120.551 119.800 -0.028 0.000 2.237 2190 Q HA 0.310 4.650 4.340 0.000 0.000 0.219 2190 Q C -0.645 175.276 176.000 -0.131 0.000 0.999 2190 Q CA -0.834 54.914 55.803 -0.092 0.000 0.959 2190 Q CB 1.103 29.869 28.738 0.047 0.000 1.173 2190 Q HN 0.569 nan 8.270 nan 0.000 0.527 2191 R N 0.571 120.920 120.500 -0.252 0.000 2.522 2191 R HA 0.420 4.760 4.340 0.000 0.000 0.283 2191 R C -2.196 173.975 176.300 -0.216 0.000 1.074 2191 R CA -0.644 55.352 56.100 -0.172 0.000 0.925 2191 R CB 1.001 31.234 30.300 -0.112 0.000 1.205 2191 R HN 0.504 nan 8.270 nan 0.000 0.436 2192 L N 4.179 125.288 121.223 -0.190 0.000 2.318 2192 L HA 0.486 4.826 4.340 0.000 0.000 0.277 2192 L C -0.999 175.759 176.870 -0.186 0.000 1.008 2192 L CA -0.197 54.505 54.840 -0.229 0.000 0.846 2192 L CB 1.225 43.004 42.059 -0.467 0.000 1.220 2192 L HN 0.591 nan 8.230 nan 0.000 0.423 2193 K N 5.441 125.756 120.400 -0.141 0.000 2.183 2193 K HA 0.620 4.940 4.320 0.000 0.000 0.274 2193 K C -1.521 174.944 176.600 -0.225 0.000 1.009 2193 K CA -0.498 55.709 56.287 -0.132 0.000 0.888 2193 K CB 0.739 33.206 32.500 -0.056 0.000 1.078 2193 K HN 0.690 nan 8.250 nan 0.000 0.459 2194 L N 4.272 125.338 121.223 -0.262 0.000 2.349 2194 L HA 0.371 4.711 4.340 0.000 0.000 0.278 2194 L C -0.581 176.052 176.870 -0.394 0.000 0.996 2194 L CA -0.603 53.950 54.840 -0.479 0.000 0.825 2194 L CB 1.919 43.536 42.059 -0.737 0.000 1.243 2194 L HN 0.617 nan 8.230 nan 0.000 0.412 2195 E N 3.684 123.642 120.200 -0.403 0.000 2.073 2195 E HA 0.371 4.721 4.350 0.000 0.000 0.269 2195 E C -1.027 175.416 176.600 -0.261 0.000 0.917 2195 E CA -0.445 55.831 56.400 -0.208 0.000 0.757 2195 E CB 1.282 30.901 29.700 -0.135 0.000 1.111 2195 E HN 0.264 nan 8.360 nan 0.000 0.410 2196 F N 1.299 121.253 119.950 0.006 0.000 2.375 2196 F HA 0.362 4.889 4.527 0.000 0.000 0.313 2196 F C 1.176 177.001 175.800 0.042 0.000 1.176 2196 F CA -0.640 57.387 58.000 0.044 0.000 1.142 2196 F CB 0.575 39.682 39.000 0.178 0.000 1.275 2196 F HN 0.379 nan 8.300 nan 0.000 0.544 2197 A N 1.532 124.507 122.820 0.258 0.000 2.386 2197 A HA 0.447 4.767 4.320 0.000 0.000 0.246 2197 A C -0.312 177.337 177.584 0.109 0.000 1.089 2197 A CA -0.149 51.992 52.037 0.173 0.000 0.790 2197 A CB -0.080 19.058 19.000 0.230 0.000 1.042 2197 A HN 0.894 nan 8.150 nan 0.000 0.497 2198 N N -1.067 117.740 118.700 0.180 0.000 3.316 2198 N HA 0.218 4.958 4.740 0.000 0.000 0.300 2198 N C -0.204 175.535 175.510 0.381 0.000 1.567 2198 N CA -0.734 52.448 53.050 0.220 0.000 0.821 2198 N CB 0.260 38.856 38.487 0.181 0.000 1.748 2198 N HN 0.295 nan 8.380 nan 0.000 0.603 2199 N N -0.533 118.415 118.700 0.415 0.000 2.520 2199 N HA -0.030 4.710 4.740 0.000 0.000 0.185 2199 N C -0.061 175.632 175.510 0.304 0.000 1.068 2199 N CA 0.667 53.987 53.050 0.450 0.000 0.911 2199 N CB -0.525 38.215 38.487 0.422 0.000 0.961 2199 N HN 0.564 nan 8.380 nan 0.000 0.446 2200 N N -0.864 117.956 118.700 0.200 0.000 2.356 2200 N HA -0.021 4.719 4.740 0.000 0.000 0.178 2200 N C 1.459 177.030 175.510 0.102 0.000 1.075 2200 N CA 0.734 53.873 53.050 0.148 0.000 0.889 2200 N CB 0.417 38.976 38.487 0.121 0.000 0.999 2200 N HN 0.250 nan 8.380 nan 0.000 0.464 2201 T N -3.115 111.482 114.554 0.072 0.000 3.000 2201 T HA 0.317 4.667 4.350 0.000 0.000 0.248 2201 T C 1.831 176.500 174.700 -0.051 0.000 1.034 2201 T CA 0.111 62.235 62.100 0.041 0.000 1.060 2201 T CB 0.100 69.011 68.868 0.073 0.000 0.983 2201 T HN 0.035 nan 8.240 nan 0.000 0.482 2202 A N 0.775 123.455 122.820 -0.234 0.000 2.119 2202 A HA 0.431 4.751 4.320 0.000 0.000 0.216 2202 A C 0.313 177.474 177.584 -0.705 0.000 1.152 2202 A CA 0.114 51.806 52.037 -0.576 0.000 0.708 2202 A CB -0.607 17.832 19.000 -0.935 0.000 0.805 2202 A HN 0.601 nan 8.150 nan 0.000 0.460 2203 F N -0.505 119.504 119.950 0.099 0.000 2.460 2203 F HA 0.629 5.156 4.527 0.000 0.000 0.341 2203 F C 0.269 176.103 175.800 0.056 0.000 1.130 2203 F CA -0.792 57.249 58.000 0.069 0.000 0.962 2203 F CB 1.658 40.678 39.000 0.034 0.000 1.171 2203 F HN 0.066 nan 8.300 nan 0.000 0.436 2204 A N 2.370 125.308 122.820 0.196 0.000 2.304 2204 A HA 0.848 5.168 4.320 0.000 0.000 0.323 2204 A C -0.101 177.541 177.584 0.096 0.000 1.195 2204 A CA -0.558 51.547 52.037 0.113 0.000 0.826 2204 A CB 0.658 19.693 19.000 0.059 0.000 1.184 2204 A HN 0.897 nan 8.150 nan 0.000 0.496 2205 A N 1.762 124.626 122.820 0.073 0.000 2.346 2205 A HA 0.528 4.848 4.320 0.000 0.000 0.252 2205 A C 0.430 178.031 177.584 0.028 0.000 1.089 2205 A CA -0.303 51.761 52.037 0.045 0.000 0.797 2205 A CB -0.027 18.997 19.000 0.040 0.000 1.047 2205 A HN 1.175 nan 8.150 nan 0.000 0.494 2206 V N 1.049 120.969 119.914 0.011 0.000 2.694 2206 V HA 0.370 4.490 4.120 0.000 0.000 0.306 2206 V C 1.713 177.812 176.094 0.007 0.000 1.054 2206 V CA 1.816 64.118 62.300 0.005 0.000 1.161 2206 V CB 0.049 31.868 31.823 -0.007 0.000 0.916 2206 V HN 1.964 nan 8.190 nan 0.000 0.490 2207 G N 3.212 112.015 108.800 0.006 0.000 2.253 2207 G HA2 -0.156 3.804 3.960 0.000 0.000 0.251 2207 G HA3 -0.156 3.804 3.960 0.000 0.000 0.251 2207 G C 0.447 175.351 174.900 0.007 0.000 0.998 2207 G CA 0.328 45.430 45.100 0.002 0.000 0.621 2207 G HN 1.515 nan 8.290 nan 0.000 0.524 2208 A N -0.144 122.686 122.820 0.017 0.000 2.287 2208 A HA 0.642 4.962 4.320 0.000 0.000 0.273 2208 A C 0.525 178.126 177.584 0.027 0.000 1.091 2208 A CA 0.185 52.236 52.037 0.023 0.000 0.817 2208 A CB 0.351 19.372 19.000 0.035 0.000 1.069 2208 A HN 0.552 nan 8.150 nan 0.000 0.492 2209 N N 1.064 119.783 118.700 0.033 0.000 2.452 2209 N HA 0.142 4.882 4.740 0.000 0.000 0.266 2209 N C -1.687 173.845 175.510 0.036 0.000 1.175 2209 N CA -1.453 51.631 53.050 0.056 0.000 0.945 2209 N CB 1.006 39.528 38.487 0.058 0.000 1.063 2209 N HN 0.342 nan 8.380 nan 0.000 0.472 2210 P HA -0.027 nan 4.420 nan 0.000 0.255 2210 P C 1.578 178.709 177.300 -0.282 0.000 1.248 2210 P CA -0.099 62.933 63.100 -0.113 0.000 0.807 2210 P CB 0.490 32.103 31.700 -0.146 0.000 1.150 2211 L N 1.662 122.725 121.223 -0.266 0.000 2.011 2211 L HA -0.211 4.129 4.340 0.000 0.000 0.225 2211 L C 1.820 178.496 176.870 -0.323 0.000 1.084 2211 L CA 2.233 56.796 54.840 -0.462 0.000 0.791 2211 L CB -0.915 41.092 42.059 -0.086 0.000 0.898 2211 L HN -0.088 nan 8.230 nan 0.000 0.440 2212 E N -0.135 120.029 120.200 -0.060 0.000 2.479 2212 E HA 0.274 4.624 4.350 0.000 0.000 0.193 2212 E C 0.737 177.365 176.600 0.047 0.000 1.049 2212 E CA 0.578 57.029 56.400 0.084 0.000 0.870 2212 E CB -0.099 29.681 29.700 0.134 0.000 0.944 2212 E HN 0.579 nan 8.360 nan 0.000 0.492 2213 A N 0.875 123.675 122.820 -0.034 0.000 2.271 2213 A HA 0.485 4.805 4.320 0.000 0.000 0.288 2213 A C 1.120 178.673 177.584 -0.052 0.000 1.094 2213 A CA -0.431 51.583 52.037 -0.039 0.000 0.828 2213 A CB 0.504 19.488 19.000 -0.027 0.000 1.091 2213 A HN 0.044 nan 8.150 nan 0.000 0.493 2214 I N -1.527 119.007 120.570 -0.061 0.000 2.810 2214 I HA 0.115 4.285 4.170 0.000 0.000 0.262 2214 I C -0.348 175.589 176.117 -0.301 0.000 1.131 2214 I CA 0.670 61.899 61.300 -0.118 0.000 1.453 2214 I CB -0.013 37.979 38.000 -0.014 0.000 1.161 2214 I HN 0.586 nan 8.210 nan 0.000 0.444 2215 Y N 0.398 120.743 120.300 0.075 0.000 2.499 2215 Y HA 0.557 5.107 4.550 0.000 0.000 0.347 2215 Y C -0.252 175.714 175.900 0.109 0.000 0.987 2215 Y CA -0.721 57.449 58.100 0.116 0.000 1.044 2215 Y CB 1.789 40.367 38.460 0.196 0.000 1.245 2215 Y HN -0.058 nan 8.280 nan 0.000 0.461 2216 Q N 1.520 121.444 119.800 0.207 0.000 2.359 2216 Q HA 0.761 5.101 4.340 0.000 0.000 0.274 2216 Q C -1.006 175.049 176.000 0.092 0.000 1.074 2216 Q CA -0.629 55.247 55.803 0.122 0.000 0.810 2216 Q CB 2.612 31.378 28.738 0.047 0.000 1.342 2216 Q HN 0.963 nan 8.270 nan 0.000 0.427 2217 G N 0.440 109.270 108.800 0.050 0.000 2.320 2217 G HA2 0.373 4.333 3.960 0.000 0.000 0.297 2217 G HA3 0.373 4.333 3.960 0.000 0.000 0.297 2217 G C -0.376 174.493 174.900 -0.052 0.000 1.344 2217 G CA -0.133 44.968 45.100 0.001 0.000 0.851 2217 G HN 0.695 nan 8.290 nan 0.000 0.567 2218 A N -0.883 121.876 122.820 -0.101 0.000 2.172 2218 A HA 0.367 4.687 4.320 0.000 0.000 0.216 2218 A C 2.155 179.519 177.584 -0.367 0.000 1.154 2218 A CA 2.534 54.465 52.037 -0.177 0.000 0.701 2218 A CB -0.372 18.528 19.000 -0.167 0.000 0.789 2218 A HN 1.934 nan 8.150 nan 0.000 0.465 2219 G N -1.715 106.874 108.800 -0.351 0.000 3.126 2219 G HA2 0.338 4.298 3.960 0.000 0.000 0.224 2219 G HA3 0.338 4.298 3.960 0.000 0.000 0.224 2219 G C 1.304 176.103 174.900 -0.169 0.000 1.142 2219 G CA 0.835 45.668 45.100 -0.445 0.000 0.759 2219 G HN 0.580 nan 8.290 nan 0.000 0.550 2220 A N 1.508 124.266 122.820 -0.105 0.000 1.927 2220 A HA 0.064 4.384 4.320 0.000 0.000 0.220 2220 A C 2.752 180.319 177.584 -0.028 0.000 1.185 2220 A CA 2.330 54.345 52.037 -0.037 0.000 0.639 2220 A CB -0.731 18.315 19.000 0.076 0.000 0.820 2220 A HN 0.826 nan 8.150 nan 0.000 0.451 2221 A N -0.740 122.095 122.820 0.025 0.000 2.024 2221 A HA -0.145 4.175 4.320 0.000 0.000 0.220 2221 A C 1.358 178.951 177.584 0.015 0.000 1.164 2221 A CA 1.895 53.963 52.037 0.051 0.000 0.643 2221 A CB -0.395 18.649 19.000 0.074 0.000 0.806 2221 A HN 0.450 nan 8.150 nan 0.000 0.451 2222 D N -1.464 118.936 120.400 -0.001 0.000 2.363 2222 D HA 0.187 4.827 4.640 0.000 0.000 0.214 2222 D C -0.155 176.028 176.300 -0.196 0.000 1.093 2222 D CA -0.129 53.841 54.000 -0.050 0.000 0.837 2222 D CB -0.210 40.596 40.800 0.011 0.000 0.948 2222 D HN 0.311 nan 8.370 nan 0.000 0.507 2223 C N 1.764 120.824 119.300 -0.401 0.000 2.539 2223 C HA 0.557 5.017 4.460 0.000 0.000 0.392 2223 C C 0.573 175.096 174.990 -0.778 0.000 1.269 2223 C CA -0.543 57.988 59.018 -0.811 0.000 2.250 2223 C CB 0.141 26.940 27.740 -1.568 0.000 2.584 2223 C HN 0.384 nan 8.230 nan 0.000 0.589 2224 E N 0.981 120.833 120.200 -0.579 0.000 2.390 2224 E HA 0.484 4.834 4.350 0.000 0.000 0.280 2224 E C -1.705 174.880 176.600 -0.025 0.000 0.992 2224 E CA -0.663 55.663 56.400 -0.123 0.000 0.790 2224 E CB 0.683 30.376 29.700 -0.012 0.000 1.248 2224 E HN 0.425 nan 8.360 nan 0.000 0.447 2225 F N 1.724 121.807 119.950 0.222 0.000 2.412 2225 F HA 0.177 4.704 4.527 0.000 0.000 0.348 2225 F C 1.615 177.441 175.800 0.044 0.000 1.102 2225 F CA -0.182 57.905 58.000 0.146 0.000 1.196 2225 F CB 1.199 40.269 39.000 0.117 0.000 1.144 2225 F HN 0.541 nan 8.300 nan 0.000 0.541 2226 E N 1.712 122.029 120.200 0.195 0.000 2.122 2226 E HA -0.021 4.329 4.350 0.000 0.000 0.190 2226 E C 0.007 176.643 176.600 0.059 0.000 0.977 2226 E CA 0.758 57.212 56.400 0.090 0.000 0.820 2226 E CB 0.085 29.810 29.700 0.042 0.000 0.770 2226 E HN 0.823 nan 8.360 nan 0.000 0.462 2227 E N -0.967 119.261 120.200 0.046 0.000 2.403 2227 E HA 0.510 4.860 4.350 0.000 0.000 0.280 2227 E C -1.079 175.361 176.600 -0.266 0.000 1.101 2227 E CA -0.538 55.777 56.400 -0.143 0.000 0.856 2227 E CB 0.878 30.496 29.700 -0.137 0.000 1.303 2227 E HN -0.130 nan 8.360 nan 0.000 0.441 2228 I N 0.890 121.049 120.570 -0.685 0.000 2.686 2228 I HA 0.498 4.668 4.170 0.000 0.000 0.295 2228 I C -0.992 174.653 176.117 -0.786 0.000 1.114 2228 I CA -0.847 59.979 61.300 -0.791 0.000 1.038 2228 I CB 2.389 39.635 38.000 -1.258 0.000 1.238 2228 I HN 0.531 nan 8.210 nan 0.000 0.420 2229 S N 3.811 119.263 115.700 -0.413 0.000 2.536 2229 S HA 0.721 5.191 4.470 0.000 0.000 0.287 2229 S C -1.480 173.037 174.600 -0.138 0.000 1.101 2229 S CA -0.600 57.426 58.200 -0.290 0.000 0.950 2229 S CB 1.967 65.048 63.200 -0.200 0.000 1.056 2229 S HN 0.523 nan 8.310 nan 0.000 0.481 2230 Y N -1.057 119.147 120.300 -0.160 0.000 2.553 2230 Y HA 0.865 5.415 4.550 0.000 0.000 0.347 2230 Y C -0.910 174.958 175.900 -0.054 0.000 1.019 2230 Y CA -0.875 57.188 58.100 -0.062 0.000 1.032 2230 Y CB 1.179 39.657 38.460 0.030 0.000 1.284 2230 Y HN 0.426 nan 8.280 nan 0.000 0.466 2231 T N 2.935 117.602 114.554 0.188 0.000 2.928 2231 T HA 0.502 4.852 4.350 0.000 0.000 0.296 2231 T C -1.452 173.342 174.700 0.157 0.000 1.000 2231 T CA -0.649 61.479 62.100 0.047 0.000 0.989 2231 T CB 1.419 70.255 68.868 -0.054 0.000 1.005 2231 T HN 0.623 nan 8.240 nan 0.000 0.442 2232 V N 4.276 124.263 119.914 0.121 0.000 2.370 2232 V HA 0.451 4.571 4.120 0.000 0.000 0.279 2232 V C -1.055 175.080 176.094 0.068 0.000 1.029 2232 V CA -0.724 61.682 62.300 0.177 0.000 0.870 2232 V CB 0.586 32.517 31.823 0.179 0.000 0.984 2232 V HN 0.809 nan 8.190 nan 0.000 0.451 2233 Y N 3.154 123.634 120.300 0.300 0.000 2.341 2233 Y HA 0.494 5.044 4.550 0.000 0.000 0.337 2233 Y C 0.329 176.408 175.900 0.299 0.000 1.014 2233 Y CA -0.303 57.964 58.100 0.278 0.000 1.111 2233 Y CB 1.689 40.309 38.460 0.266 0.000 1.194 2233 Y HN 0.565 nan 8.280 nan 0.000 0.462 2234 Q N 2.247 122.286 119.800 0.397 0.000 2.290 2234 Q HA 0.442 4.782 4.340 0.000 0.000 0.259 2234 Q C -0.923 175.205 176.000 0.214 0.000 0.941 2234 Q CA -0.574 55.343 55.803 0.191 0.000 0.912 2234 Q CB 1.357 30.236 28.738 0.235 0.000 1.244 2234 Q HN 0.655 nan 8.270 nan 0.000 0.441 2235 S N 4.213 119.946 115.700 0.056 0.000 2.437 2235 S HA 0.647 5.117 4.470 0.000 0.000 0.305 2235 S C -1.377 173.300 174.600 0.128 0.000 1.109 2235 S CA -0.348 57.930 58.200 0.130 0.000 1.099 2235 S CB 0.269 63.658 63.200 0.315 0.000 1.004 2235 S HN 0.573 nan 8.310 nan 0.000 0.475 2236 Y N 1.961 122.252 120.300 -0.015 0.000 2.705 2236 Y HA 0.704 5.254 4.550 0.000 0.000 0.332 2236 Y C -1.879 174.013 175.900 -0.014 0.000 1.221 2236 Y CA -1.563 56.517 58.100 -0.034 0.000 1.059 2236 Y CB 0.861 39.296 38.460 -0.043 0.000 1.298 2236 Y HN 0.413 nan 8.280 nan 0.000 0.459 2237 L N 2.425 123.744 121.223 0.159 0.000 2.313 2237 L HA 0.468 4.808 4.340 0.000 0.000 0.283 2237 L C -0.914 176.048 176.870 0.153 0.000 1.013 2237 L CA -0.541 54.329 54.840 0.051 0.000 0.816 2237 L CB 1.391 43.462 42.059 0.020 0.000 1.236 2237 L HN 0.678 nan 8.230 nan 0.000 0.419 2238 D N 1.633 122.085 120.400 0.087 0.000 2.442 2238 D HA 0.236 4.876 4.640 0.000 0.000 0.254 2238 D C -0.264 176.066 176.300 0.050 0.000 1.069 2238 D CA 0.042 54.123 54.000 0.136 0.000 1.017 2238 D CB 1.096 41.998 40.800 0.169 0.000 1.172 2238 D HN 0.311 nan 8.370 nan 0.000 0.561 2239 Q N -0.054 119.781 119.800 0.057 0.000 2.452 2239 Q HA -0.179 4.161 4.340 0.000 0.000 0.318 2239 Q C -0.541 175.467 176.000 0.014 0.000 1.386 2239 Q CA 0.397 56.228 55.803 0.045 0.000 0.872 2239 Q CB -1.942 26.819 28.738 0.038 0.000 1.151 2239 Q HN 0.454 nan 8.270 nan 0.000 0.417 2240 L N 1.999 123.193 121.223 -0.049 0.000 2.490 2240 L HA 0.123 4.463 4.340 0.000 0.000 0.274 2240 L C -1.048 175.809 176.870 -0.021 0.000 1.201 2240 L CA -1.167 53.582 54.840 -0.152 0.000 0.869 2240 L CB -0.188 41.566 42.059 -0.509 0.000 1.123 2240 L HN 0.026 nan 8.230 nan 0.000 0.484 2241 P HA 0.131 nan 4.420 nan 0.000 0.271 2241 P C -0.832 176.585 177.300 0.194 0.000 1.216 2241 P CA -0.170 62.982 63.100 0.085 0.000 0.771 2241 P CB 1.335 33.061 31.700 0.044 0.000 0.864 2242 V N 2.497 122.525 119.914 0.189 0.000 2.667 2242 V HA 0.768 4.888 4.120 0.000 0.000 0.308 2242 V C 0.904 177.052 176.094 0.091 0.000 1.048 2242 V CA -0.227 62.182 62.300 0.182 0.000 0.928 2242 V CB 1.683 33.573 31.823 0.112 0.000 1.004 2242 V HN 0.890 nan 8.190 nan 0.000 0.444 2243 G N 1.232 110.073 108.800 0.070 0.000 3.251 2243 G HA2 0.552 4.512 3.960 0.000 0.000 0.248 2243 G HA3 0.552 4.512 3.960 0.000 0.000 0.248 2243 G C 0.572 175.485 174.900 0.022 0.000 1.320 2243 G CA 0.457 45.583 45.100 0.042 0.000 0.982 2243 G HN 0.730 nan 8.290 nan 0.000 0.575 2244 Q N -1.864 117.945 119.800 0.016 0.000 2.084 2244 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 2244 Q C 2.128 178.129 176.000 0.003 0.000 0.978 2244 Q CA 2.419 58.227 55.803 0.007 0.000 0.844 2244 Q CB -1.608 27.135 28.738 0.008 0.000 0.898 2244 Q HN 1.297 nan 8.270 nan 0.000 0.426 2245 N N -0.395 118.311 118.700 0.010 0.000 2.313 2245 N HA 0.479 5.219 4.740 0.000 0.000 0.207 2245 N C 1.291 176.803 175.510 0.004 0.000 1.141 2245 N CA 0.973 54.027 53.050 0.007 0.000 0.830 2245 N CB -0.193 38.303 38.487 0.015 0.000 1.008 2245 N HN 1.447 nan 8.380 nan 0.000 0.481 2246 G N -0.565 108.232 108.800 -0.006 0.000 2.484 2246 G HA2 -0.187 3.773 3.960 0.000 0.000 0.225 2246 G HA3 -0.187 3.773 3.960 0.000 0.000 0.225 2246 G C -0.334 174.599 174.900 0.056 0.000 1.250 2246 G CA -0.408 44.667 45.100 -0.041 0.000 0.926 2246 G HN 0.573 nan 8.290 nan 0.000 0.581 2247 Y N 0.612 120.920 120.300 0.013 0.000 2.729 2247 Y HA 0.238 4.788 4.550 0.000 0.000 0.331 2247 Y C 1.520 177.428 175.900 0.013 0.000 1.208 2247 Y CA -0.169 57.940 58.100 0.015 0.000 1.521 2247 Y CB 0.131 38.602 38.460 0.018 0.000 1.233 2247 Y HN 0.314 nan 8.280 nan 0.000 0.539 2248 I N 6.694 127.378 120.570 0.189 0.000 2.379 2248 I HA 0.151 4.321 4.170 0.000 0.000 0.290 2248 I C -0.551 175.596 176.117 0.050 0.000 1.063 2248 I CA 0.201 61.556 61.300 0.090 0.000 1.351 2248 I CB 0.201 38.239 38.000 0.063 0.000 1.410 2248 I HN 0.379 nan 8.210 nan 0.000 0.505 2249 L N 8.559 129.807 121.223 0.042 0.000 2.455 2249 L HA 0.461 4.801 4.340 0.000 0.000 0.264 2249 L C -2.518 174.358 176.870 0.011 0.000 0.968 2249 L CA -1.823 53.026 54.840 0.015 0.000 0.827 2249 L CB 2.525 44.598 42.059 0.024 0.000 1.317 2249 L HN 0.354 nan 8.230 nan 0.000 0.407 2250 P HA 0.161 nan 4.420 nan 0.000 0.273 2250 P C 0.639 177.935 177.300 -0.008 0.000 1.428 2250 P CA -0.205 62.889 63.100 -0.009 0.000 0.995 2250 P CB 0.704 32.392 31.700 -0.020 0.000 1.286 2251 L N 2.892 124.114 121.223 -0.002 0.000 2.131 2251 L HA -0.144 4.196 4.340 0.000 0.000 0.210 2251 L C 2.380 179.244 176.870 -0.010 0.000 1.092 2251 L CA 1.267 56.109 54.840 0.002 0.000 0.759 2251 L CB -0.566 41.498 42.059 0.008 0.000 0.903 2251 L HN 0.282 nan 8.230 nan 0.000 0.435 2252 I N -0.357 120.196 120.570 -0.028 0.000 2.286 2252 I HA -0.217 3.953 4.170 0.000 0.000 0.245 2252 I C 2.057 178.131 176.117 -0.072 0.000 1.104 2252 I CA 0.962 62.233 61.300 -0.049 0.000 1.397 2252 I CB -0.370 37.591 38.000 -0.064 0.000 1.072 2252 I HN 0.194 nan 8.210 nan 0.000 0.417 2253 D N 1.288 121.643 120.400 -0.074 0.000 2.092 2253 D HA -0.158 4.482 4.640 0.000 0.000 0.193 2253 D C 2.179 178.455 176.300 -0.039 0.000 0.994 2253 D CA 1.420 55.369 54.000 -0.085 0.000 0.828 2253 D CB -0.331 40.434 40.800 -0.059 0.000 0.963 2253 D HN 0.266 nan 8.370 nan 0.000 0.450 2254 L N 0.320 121.538 121.223 -0.008 0.000 2.551 2254 L HA -0.000 4.340 4.340 0.000 0.000 0.228 2254 L C 1.577 178.471 176.870 0.041 0.000 1.153 2254 L CA 0.674 55.530 54.840 0.027 0.000 0.851 2254 L CB -0.198 41.878 42.059 0.028 0.000 0.959 2254 L HN 0.034 nan 8.230 nan 0.000 0.451 2255 S N -3.097 112.611 115.700 0.014 0.000 2.593 2255 S HA 0.167 4.637 4.470 0.000 0.000 0.236 2255 S C 0.508 175.108 174.600 0.001 0.000 0.991 2255 S CA -0.547 57.665 58.200 0.020 0.000 0.963 2255 S CB 0.164 63.371 63.200 0.013 0.000 0.865 2255 S HN 0.086 nan 8.310 nan 0.000 0.488 2256 T N 2.826 117.369 114.554 -0.019 0.000 2.855 2256 T HA 0.569 4.919 4.350 0.000 0.000 0.281 2256 T C -0.569 174.127 174.700 -0.006 0.000 1.007 2256 T CA -0.600 61.470 62.100 -0.049 0.000 1.009 2256 T CB 1.344 70.109 68.868 -0.171 0.000 0.983 2256 T HN 0.259 nan 8.240 nan 0.000 0.455 2257 L N 3.257 124.475 121.223 -0.009 0.000 2.275 2257 L HA 0.451 4.791 4.340 0.000 0.000 0.288 2257 L C -0.924 176.028 176.870 0.136 0.000 1.046 2257 L CA -1.041 53.770 54.840 -0.049 0.000 0.805 2257 L CB 0.618 42.547 42.059 -0.217 0.000 1.193 2257 L HN 0.624 nan 8.230 nan 0.000 0.426 2258 Y N 4.536 124.881 120.300 0.075 0.000 2.402 2258 Y HA 0.471 5.021 4.550 0.000 0.000 0.332 2258 Y C -0.846 175.000 175.900 -0.091 0.000 0.960 2258 Y CA -1.238 56.964 58.100 0.169 0.000 1.228 2258 Y CB 0.579 39.268 38.460 0.382 0.000 1.120 2258 Y HN 0.523 nan 8.280 nan 0.000 0.491 2259 N N 5.890 124.160 118.700 -0.717 0.000 2.265 2259 N HA 0.568 5.308 4.740 0.000 0.000 0.300 2259 N C -1.528 173.470 175.510 -0.854 0.000 1.148 2259 N CA -0.648 51.899 53.050 -0.838 0.000 0.772 2259 N CB 2.375 40.346 38.487 -0.861 0.000 1.434 2259 N HN 0.555 nan 8.380 nan 0.000 0.481 2260 L N 0.588 121.513 121.223 -0.496 0.000 2.346 2260 L HA 0.589 4.929 4.340 0.000 0.000 0.276 2260 L C -0.006 176.857 176.870 -0.011 0.000 1.006 2260 L CA -0.548 54.178 54.840 -0.191 0.000 0.817 2260 L CB 1.699 43.613 42.059 -0.243 0.000 1.272 2260 L HN 0.387 nan 8.230 nan 0.000 0.421 2261 E N 2.457 122.791 120.200 0.224 0.000 2.408 2261 E HA 0.381 4.731 4.350 0.000 0.000 0.275 2261 E C -1.479 175.219 176.600 0.164 0.000 0.935 2261 E CA -0.851 55.678 56.400 0.214 0.000 0.775 2261 E CB 3.146 33.045 29.700 0.332 0.000 1.277 2261 E HN 0.670 nan 8.360 nan 0.000 0.455 2262 N N -0.049 118.681 118.700 0.050 0.000 2.405 2262 N HA 0.534 5.274 4.740 0.000 0.000 0.285 2262 N C -1.141 174.405 175.510 0.061 0.000 1.262 2262 N CA -0.578 52.429 53.050 -0.072 0.000 0.773 2262 N CB 2.013 40.341 38.487 -0.265 0.000 1.490 2262 N HN 0.493 nan 8.380 nan 0.000 0.486 2263 S N -1.377 114.367 115.700 0.073 0.000 2.656 2263 S HA 0.887 5.357 4.470 0.000 0.000 0.273 2263 S C -1.553 173.121 174.600 0.124 0.000 1.168 2263 S CA -0.882 57.390 58.200 0.120 0.000 0.817 2263 S CB 1.258 64.560 63.200 0.170 0.000 1.146 2263 S HN 1.091 nan 8.310 nan 0.000 0.475 2264 A N 1.002 123.899 122.820 0.128 0.000 2.414 2264 A HA 0.824 5.144 4.320 0.000 0.000 0.306 2264 A C -1.337 176.329 177.584 0.138 0.000 1.054 2264 A CA -0.741 51.379 52.037 0.138 0.000 0.724 2264 A CB 1.571 20.652 19.000 0.135 0.000 1.267 2264 A HN 0.775 nan 8.150 nan 0.000 0.418 2265 Q N 0.625 120.527 119.800 0.171 0.000 2.359 2265 Q HA 0.788 5.128 4.340 0.000 0.000 0.274 2265 Q C -0.670 175.475 176.000 0.240 0.000 1.074 2265 Q CA -0.591 55.356 55.803 0.240 0.000 0.810 2265 Q CB 2.033 30.971 28.738 0.333 0.000 1.342 2265 Q HN 1.196 nan 8.270 nan 0.000 0.427 2266 A N -0.340 122.621 122.820 0.234 0.000 2.486 2266 A HA 0.932 5.252 4.320 0.000 0.000 0.289 2266 A C 0.347 178.027 177.584 0.161 0.000 1.176 2266 A CA -0.285 51.797 52.037 0.074 0.000 0.757 2266 A CB 1.431 20.456 19.000 0.043 0.000 1.337 2266 A HN 1.408 nan 8.150 nan 0.000 0.423 2267 G N -1.068 107.731 108.800 -0.001 0.000 2.151 2267 G HA2 0.012 3.972 3.960 0.000 0.000 0.156 2267 G HA3 0.012 3.972 3.960 0.000 0.000 0.156 2267 G C -0.427 174.484 174.900 0.018 0.000 1.017 2267 G CA -0.032 45.128 45.100 0.100 0.000 0.686 2267 G HN 0.753 nan 8.290 nan 0.000 0.503 2268 L N 1.482 122.514 121.223 -0.319 0.000 2.395 2268 L HA 0.780 5.120 4.340 0.000 0.000 0.269 2268 L C 0.974 177.768 176.870 -0.126 0.000 1.133 2268 L CA 0.505 55.129 54.840 -0.361 0.000 0.812 2268 L CB 1.674 43.376 42.059 -0.596 0.000 1.125 2268 L HN 0.458 nan 8.230 nan 0.000 0.452 2269 T N -0.108 114.402 114.554 -0.075 0.000 2.952 2269 T HA 0.545 4.895 4.350 0.000 0.000 0.305 2269 T C -2.858 171.813 174.700 -0.049 0.000 1.064 2269 T CA -2.232 59.844 62.100 -0.041 0.000 1.008 2269 T CB 1.912 70.773 68.868 -0.011 0.000 1.078 2269 T HN 0.163 nan 8.240 nan 0.000 0.459 2270 P HA 0.120 nan 4.420 nan 0.000 0.261 2270 P C 0.291 177.563 177.300 -0.047 0.000 1.173 2270 P CA 0.561 63.636 63.100 -0.042 0.000 0.760 2270 P CB 0.074 31.759 31.700 -0.025 0.000 0.783 2271 N N -0.991 117.667 118.700 -0.070 0.000 2.778 2271 N HA -0.144 4.596 4.740 0.000 0.000 0.249 2271 N C -0.576 174.897 175.510 -0.062 0.000 1.069 2271 N CA 0.752 53.761 53.050 -0.068 0.000 0.831 2271 N CB -1.641 36.829 38.487 -0.029 0.000 1.142 2271 N HN 0.194 nan 8.380 nan 0.000 0.573 2272 V N 1.155 121.030 119.914 -0.065 0.000 2.459 2272 V HA 0.225 4.345 4.120 0.000 0.000 0.295 2272 V C 0.126 176.190 176.094 -0.050 0.000 1.029 2272 V CA -0.812 61.467 62.300 -0.035 0.000 0.874 2272 V CB 2.080 33.900 31.823 -0.005 0.000 0.985 2272 V HN -0.047 nan 8.190 nan 0.000 0.438 2273 D N 3.399 123.779 120.400 -0.033 0.000 2.434 2273 D HA 0.109 4.749 4.640 0.000 0.000 0.252 2273 D C -0.540 175.771 176.300 0.018 0.000 1.185 2273 D CA 0.496 54.473 54.000 -0.038 0.000 0.886 2273 D CB 0.394 41.194 40.800 0.000 0.000 1.148 2273 D HN 0.347 nan 8.370 nan 0.000 0.483 2274 F N 3.631 123.487 119.950 -0.156 0.000 2.385 2274 F HA 0.328 4.855 4.527 0.000 0.000 0.360 2274 F C -0.709 175.034 175.800 -0.096 0.000 1.122 2274 F CA -0.780 57.144 58.000 -0.127 0.000 1.090 2274 F CB 0.782 39.678 39.000 -0.173 0.000 1.150 2274 F HN 0.001 nan 8.300 nan 0.000 0.472 2275 V N 6.940 126.560 119.914 -0.490 0.000 2.417 2275 V HA 0.411 4.531 4.120 0.000 0.000 0.291 2275 V C -0.597 175.240 176.094 -0.429 0.000 1.024 2275 V CA -0.907 61.191 62.300 -0.336 0.000 0.861 2275 V CB 1.426 33.135 31.823 -0.191 0.000 0.985 2275 V HN 0.495 nan 8.190 nan 0.000 0.436 2276 V N 5.102 124.866 119.914 -0.250 0.000 2.328 2276 V HA 0.334 4.454 4.120 0.000 0.000 0.278 2276 V C 0.110 176.076 176.094 -0.213 0.000 1.021 2276 V CA -0.705 61.461 62.300 -0.222 0.000 0.838 2276 V CB 1.271 33.029 31.823 -0.108 0.000 0.999 2276 V HN 0.814 nan 8.190 nan 0.000 0.447 2277 Q N 3.015 122.700 119.800 -0.193 0.000 2.352 2277 Q HA 0.277 4.617 4.340 0.000 0.000 0.260 2277 Q C -0.820 175.025 176.000 -0.259 0.000 0.976 2277 Q CA 0.114 55.824 55.803 -0.156 0.000 0.881 2277 Q CB 1.021 29.698 28.738 -0.103 0.000 1.235 2277 Q HN 0.633 nan 8.270 nan 0.000 0.419 2278 Y N 0.072 120.257 120.300 -0.193 0.000 2.304 2278 Y HA 0.347 4.897 4.550 0.000 0.000 0.328 2278 Y C 0.736 176.527 175.900 -0.182 0.000 1.123 2278 Y CA -0.392 57.481 58.100 -0.378 0.000 1.218 2278 Y CB 1.033 39.203 38.460 -0.484 0.000 1.207 2278 Y HN 0.644 nan 8.280 nan 0.000 0.495 2279 A N 3.030 125.865 122.820 0.025 0.000 2.313 2279 A HA 0.309 4.629 4.320 0.000 0.000 0.261 2279 A C -0.146 177.415 177.584 -0.038 0.000 1.090 2279 A CA -0.798 51.193 52.037 -0.076 0.000 0.807 2279 A CB -0.011 18.822 19.000 -0.279 0.000 1.055 2279 A HN 0.875 nan 8.150 nan 0.000 0.492 2280 N N -0.676 117.933 118.700 -0.152 0.000 2.408 2280 N HA 0.534 5.274 4.740 0.000 0.000 0.260 2280 N C 0.549 175.939 175.510 -0.199 0.000 1.242 2280 N CA -0.138 52.819 53.050 -0.155 0.000 0.959 2280 N CB 0.496 38.886 38.487 -0.162 0.000 1.201 2280 N HN 0.730 nan 8.380 nan 0.000 0.511 2281 L N -4.095 117.050 121.223 -0.131 0.000 3.271 2281 L HA -0.300 4.040 4.340 0.000 0.000 0.385 2281 L C -0.303 176.778 176.870 0.352 0.000 0.696 2281 L CA 1.327 56.214 54.840 0.079 0.000 3.118 2281 L CB -1.366 40.699 42.059 0.010 0.000 0.639 2281 L HN 0.628 nan 8.230 nan 0.000 0.752 2282 Y N 1.294 121.582 120.300 -0.020 0.000 2.346 2282 Y HA 0.267 4.817 4.550 0.000 0.000 0.330 2282 Y C 1.031 176.911 175.900 -0.032 0.000 1.178 2282 Y CA -0.635 57.323 58.100 -0.236 0.000 1.331 2282 Y CB 0.507 38.384 38.460 -0.973 0.000 1.253 2282 Y HN 0.059 nan 8.280 nan 0.000 0.529 2283 R N 3.560 124.151 120.500 0.151 0.000 2.247 2283 R HA 0.215 4.555 4.340 0.000 0.000 0.329 2283 R C -1.713 174.632 176.300 0.075 0.000 1.014 2283 R CA -0.602 55.593 56.100 0.159 0.000 0.907 2283 R CB 0.369 30.707 30.300 0.064 0.000 1.146 2283 R HN 0.535 nan 8.270 nan 0.000 0.499 2284 Y N 3.238 123.646 120.300 0.180 0.000 2.436 2284 Y HA 0.046 4.596 4.550 0.000 0.000 0.343 2284 Y C 1.385 177.347 175.900 0.102 0.000 1.008 2284 Y CA -0.265 57.953 58.100 0.197 0.000 1.241 2284 Y CB 0.636 39.230 38.460 0.224 0.000 1.153 2284 Y HN 0.464 nan 8.280 nan 0.000 0.521 2285 L N 1.900 123.242 121.223 0.199 0.000 2.162 2285 L HA 0.039 4.379 4.340 0.000 0.000 0.205 2285 L C 0.758 177.740 176.870 0.187 0.000 1.086 2285 L CA 0.611 55.509 54.840 0.096 0.000 0.778 2285 L CB -0.115 41.920 42.059 -0.039 0.000 0.928 2285 L HN 0.625 nan 8.230 nan 0.000 0.446 2286 S N -1.993 113.882 115.700 0.291 0.000 2.570 2286 S HA 0.610 5.080 4.470 0.000 0.000 0.270 2286 S C -0.623 174.175 174.600 0.330 0.000 1.149 2286 S CA -0.679 57.665 58.200 0.239 0.000 0.837 2286 S CB 2.363 65.750 63.200 0.311 0.000 1.124 2286 S HN -0.071 nan 8.310 nan 0.000 0.465 2287 T N 1.934 116.595 114.554 0.178 0.000 2.916 2287 T HA 0.610 4.960 4.350 0.000 0.000 0.298 2287 T C -0.956 173.724 174.700 -0.033 0.000 1.031 2287 T CA -0.397 61.766 62.100 0.105 0.000 0.993 2287 T CB 0.905 69.881 68.868 0.180 0.000 1.045 2287 T HN 0.660 nan 8.240 nan 0.000 0.454 2288 I N 2.242 122.729 120.570 -0.138 0.000 2.509 2288 I HA 0.722 4.892 4.170 0.000 0.000 0.293 2288 I C -0.346 175.626 176.117 -0.241 0.000 1.020 2288 I CA -0.927 60.332 61.300 -0.068 0.000 1.088 2288 I CB 1.747 39.808 38.000 0.102 0.000 1.267 2288 I HN 0.734 nan 8.210 nan 0.000 0.430 2289 A N 6.256 128.987 122.820 -0.149 0.000 2.335 2289 A HA 0.755 5.075 4.320 0.000 0.000 0.304 2289 A C -1.139 176.522 177.584 0.129 0.000 1.118 2289 A CA -0.476 51.489 52.037 -0.121 0.000 0.757 2289 A CB 1.353 20.190 19.000 -0.271 0.000 1.188 2289 A HN 0.392 nan 8.150 nan 0.000 0.460 2290 V N 3.339 123.346 119.914 0.154 0.000 2.357 2290 V HA 0.315 4.435 4.120 0.000 0.000 0.284 2290 V C -0.695 175.582 176.094 0.305 0.000 1.018 2290 V CA -0.392 62.044 62.300 0.226 0.000 0.841 2290 V CB 1.191 33.096 31.823 0.137 0.000 0.991 2290 V HN 0.782 nan 8.190 nan 0.000 0.437 2291 F N 5.285 125.326 119.950 0.152 0.000 2.406 2291 F HA 0.369 4.896 4.527 0.000 0.000 0.358 2291 F C 0.460 176.150 175.800 -0.183 0.000 1.161 2291 F CA -1.794 56.212 58.000 0.011 0.000 1.185 2291 F CB 0.173 39.201 39.000 0.046 0.000 1.421 2291 F HN 0.600 nan 8.300 nan 0.000 0.576 2292 D N 4.246 124.628 120.400 -0.029 0.000 2.435 2292 D HA -0.030 4.610 4.640 0.000 0.000 0.230 2292 D C -0.082 175.880 176.300 -0.562 0.000 1.215 2292 D CA 0.088 53.761 54.000 -0.545 0.000 0.947 2292 D CB -0.323 40.398 40.800 -0.133 0.000 1.048 2292 D HN 0.273 nan 8.370 nan 0.000 0.512 2293 N N 2.826 120.942 118.700 -0.973 0.000 3.050 2293 N HA 0.190 4.930 4.740 0.000 0.000 0.289 2293 N C 0.735 175.934 175.510 -0.518 0.000 1.209 2293 N CA 0.413 52.939 53.050 -0.874 0.000 1.154 2293 N CB -0.434 37.334 38.487 -1.198 0.000 1.444 2293 N HN 0.608 nan 8.380 nan 0.000 0.529 2294 G N 0.983 109.577 108.800 -0.342 0.000 2.323 2294 G HA2 -0.214 3.746 3.960 0.000 0.000 0.292 2294 G HA3 -0.214 3.746 3.960 0.000 0.000 0.292 2294 G C 0.982 175.749 174.900 -0.221 0.000 1.040 2294 G CA 0.568 45.537 45.100 -0.219 0.000 0.942 2294 G HN 1.105 nan 8.290 nan 0.000 0.506 2295 G N -2.336 106.287 108.800 -0.296 0.000 2.217 2295 G HA2 -0.058 3.902 3.960 0.000 0.000 0.246 2295 G HA3 -0.058 3.902 3.960 0.000 0.000 0.246 2295 G C 0.475 175.243 174.900 -0.219 0.000 0.990 2295 G CA 0.641 45.642 45.100 -0.165 0.000 0.627 2295 G HN 1.741 nan 8.290 nan 0.000 0.522 2296 S N 0.270 115.707 115.700 -0.438 0.000 2.508 2296 S HA 0.761 5.231 4.470 0.000 0.000 0.284 2296 S C -0.810 173.379 174.600 -0.685 0.000 1.192 2296 S CA -0.294 57.695 58.200 -0.352 0.000 1.070 2296 S CB 0.881 63.908 63.200 -0.288 0.000 1.004 2296 S HN 0.308 nan 8.310 nan 0.000 0.493 2297 F N 2.905 122.749 119.950 -0.177 0.000 2.445 2297 F HA 0.441 4.968 4.527 0.000 0.000 0.348 2297 F C 0.455 176.193 175.800 -0.102 0.000 1.125 2297 F CA -0.851 57.054 58.000 -0.157 0.000 0.983 2297 F CB 1.202 40.110 39.000 -0.153 0.000 1.198 2297 F HN 0.389 nan 8.300 nan 0.000 0.436 2298 N N 1.429 120.126 118.700 -0.004 0.000 2.384 2298 N HA 0.500 5.240 4.740 0.000 0.000 0.301 2298 N C -0.487 175.089 175.510 0.110 0.000 1.133 2298 N CA -0.705 52.363 53.050 0.030 0.000 0.853 2298 N CB 2.236 40.706 38.487 -0.030 0.000 1.241 2298 N HN 0.574 nan 8.380 nan 0.000 0.502 2299 A N 0.616 123.498 122.820 0.103 0.000 3.063 2299 A HA 0.461 4.781 4.320 0.000 0.000 0.263 2299 A C 1.354 179.047 177.584 0.181 0.000 1.736 2299 A CA 0.340 52.456 52.037 0.131 0.000 1.408 2299 A CB -1.427 17.631 19.000 0.096 0.000 1.108 2299 A HN 0.915 nan 8.150 nan 0.000 0.621 2300 G N 1.064 110.034 108.800 0.284 0.000 2.302 2300 G HA2 -0.423 3.537 3.960 0.000 0.000 0.263 2300 G HA3 -0.423 3.537 3.960 0.000 0.000 0.263 2300 G C 1.359 176.348 174.900 0.148 0.000 0.995 2300 G CA 1.551 46.815 45.100 0.273 0.000 0.622 2300 G HN 1.559 nan 8.290 nan 0.000 0.538 2301 T N -0.631 113.990 114.554 0.112 0.000 2.977 2301 T HA 0.044 4.394 4.350 0.000 0.000 0.271 2301 T C 1.478 176.210 174.700 0.052 0.000 1.105 2301 T CA 1.876 64.017 62.100 0.068 0.000 1.116 2301 T CB -0.242 68.654 68.868 0.047 0.000 0.878 2301 T HN 0.623 nan 8.240 nan 0.000 0.509 2302 D N 0.320 120.764 120.400 0.073 0.000 2.368 2302 D HA 0.256 4.896 4.640 0.000 0.000 0.218 2302 D C 0.147 176.532 176.300 0.141 0.000 1.112 2302 D CA -0.494 53.556 54.000 0.084 0.000 0.834 2302 D CB -0.304 40.510 40.800 0.025 0.000 0.953 2302 D HN 0.478 nan 8.370 nan 0.000 0.505 2303 I N 0.472 121.078 120.570 0.061 0.000 2.545 2303 I HA 0.217 4.387 4.170 0.000 0.000 0.292 2303 I C 0.618 176.683 176.117 -0.086 0.000 1.040 2303 I CA -0.861 60.402 61.300 -0.062 0.000 1.068 2303 I CB 2.137 40.038 38.000 -0.166 0.000 1.251 2303 I HN -0.269 nan 8.210 nan 0.000 0.424 2304 N N 3.907 122.507 118.700 -0.166 0.000 2.197 2304 N HA -0.002 4.738 4.740 0.000 0.000 0.184 2304 N C -0.570 174.945 175.510 0.008 0.000 1.030 2304 N CA 1.401 54.398 53.050 -0.088 0.000 0.851 2304 N CB 0.249 38.645 38.487 -0.152 0.000 1.003 2304 N HN 0.629 nan 8.380 nan 0.000 0.430 2305 Y N -1.977 118.245 120.300 -0.130 0.000 2.741 2305 Y HA 0.630 5.180 4.550 0.000 0.000 0.339 2305 Y C -1.795 173.933 175.900 -0.286 0.000 1.226 2305 Y CA -1.443 56.565 58.100 -0.154 0.000 1.072 2305 Y CB 0.475 38.885 38.460 -0.083 0.000 1.331 2305 Y HN -0.277 nan 8.280 nan 0.000 0.453 2306 L N 1.641 122.807 121.223 -0.094 0.000 2.333 2306 L HA 0.923 5.263 4.340 0.000 0.000 0.263 2306 L C -0.099 176.654 176.870 -0.195 0.000 1.014 2306 L CA -0.546 54.003 54.840 -0.485 0.000 0.820 2306 L CB 2.214 43.490 42.059 -1.305 0.000 1.352 2306 L HN 0.891 nan 8.230 nan 0.000 0.421 2307 S N -0.164 115.323 115.700 -0.355 0.000 2.636 2307 S HA 0.589 5.059 4.470 0.000 0.000 0.268 2307 S C -2.076 172.394 174.600 -0.217 0.000 1.159 2307 S CA -0.615 57.550 58.200 -0.058 0.000 0.815 2307 S CB 1.611 64.818 63.200 0.011 0.000 1.130 2307 S HN 0.579 nan 8.310 nan 0.000 0.471 2308 Q N 1.072 120.870 119.800 -0.003 0.000 2.304 2308 Q HA 0.570 4.910 4.340 0.000 0.000 0.270 2308 Q C -1.108 174.917 176.000 0.042 0.000 1.035 2308 Q CA -0.683 55.151 55.803 0.052 0.000 0.781 2308 Q CB 2.207 31.033 28.738 0.147 0.000 1.261 2308 Q HN 0.665 nan 8.270 nan 0.000 0.444 2309 R N -0.638 119.892 120.500 0.050 0.000 2.604 2309 R HA 0.439 4.779 4.340 0.000 0.000 0.281 2309 R C -0.343 175.979 176.300 0.035 0.000 1.020 2309 R CA -0.707 55.410 56.100 0.028 0.000 0.899 2309 R CB 0.981 31.286 30.300 0.009 0.000 1.205 2309 R HN 0.503 nan 8.270 nan 0.000 0.450 2310 T N 0.691 115.255 114.554 0.017 0.000 3.418 2310 T HA 0.446 4.796 4.350 0.000 0.000 0.239 2310 T C 0.982 175.685 174.700 0.005 0.000 0.905 2310 T CA 0.110 62.217 62.100 0.012 0.000 0.929 2310 T CB -0.527 68.342 68.868 0.003 0.000 1.121 2310 T HN 1.087 nan 8.240 nan 0.000 0.608 2311 A N 1.499 124.323 122.820 0.006 0.000 5.821 2311 A HA -0.066 4.254 4.320 0.000 0.000 0.282 2311 A C 1.526 179.107 177.584 -0.006 0.000 2.032 2311 A CA 1.756 53.791 52.037 -0.003 0.000 0.715 2311 A CB -2.355 16.641 19.000 -0.007 0.000 1.178 2311 A HN 2.329 nan 8.150 nan 0.000 0.370 2312 N N -2.436 116.258 118.700 -0.009 0.000 2.677 2312 N HA 0.425 5.165 4.740 0.000 0.000 0.249 2312 N C 1.306 176.810 175.510 -0.009 0.000 1.073 2312 N CA 2.171 55.215 53.050 -0.009 0.000 0.737 2312 N CB -2.256 36.226 38.487 -0.009 0.000 0.999 2312 N HN 2.687 nan 8.380 nan 0.000 0.543 2313 F N -2.177 117.767 119.950 -0.009 0.000 2.694 2313 F HA 0.139 4.666 4.527 0.000 0.000 0.215 2313 F C 0.814 176.606 175.800 -0.013 0.000 1.032 2313 F CA 1.543 59.536 58.000 -0.011 0.000 0.871 2313 F CB -1.728 37.265 39.000 -0.011 0.000 0.776 2313 F HN 1.961 nan 8.300 nan 0.000 0.850 2314 S N 1.419 117.112 115.700 -0.012 0.000 2.721 2314 S HA 0.480 4.950 4.470 0.000 0.000 0.264 2314 S C -0.926 173.667 174.600 -0.011 0.000 1.161 2314 S CA -0.287 57.905 58.200 -0.013 0.000 1.113 2314 S CB 0.643 63.837 63.200 -0.009 0.000 1.079 2314 S HN 0.579 nan 8.310 nan 0.000 0.479 2315 D N 2.796 123.183 120.400 -0.021 0.000 2.256 2315 D HA 0.238 4.878 4.640 0.000 0.000 0.250 2315 D C 1.205 177.498 176.300 -0.012 0.000 1.093 2315 D CA -0.059 53.931 54.000 -0.018 0.000 0.882 2315 D CB 1.889 42.663 40.800 -0.043 0.000 1.185 2315 D HN 0.659 nan 8.370 nan 0.000 0.437 2316 T N -1.065 113.490 114.554 0.002 0.000 3.022 2316 T HA 0.060 4.410 4.350 0.000 0.000 0.250 2316 T C 0.930 175.629 174.700 -0.000 0.000 1.060 2316 T CA -0.279 61.821 62.100 -0.001 0.000 1.013 2316 T CB 0.279 69.148 68.868 0.003 0.000 0.982 2316 T HN 0.588 nan 8.240 nan 0.000 0.508 2317 R N 0.423 120.935 120.500 0.020 0.000 2.714 2317 R HA 0.312 4.652 4.340 0.000 0.000 0.214 2317 R C -0.842 175.525 176.300 0.113 0.000 1.474 2317 R CA -0.653 55.467 56.100 0.034 0.000 1.435 2317 R CB -0.319 29.970 30.300 -0.018 0.000 1.517 2317 R HN 0.084 nan 8.270 nan 0.000 0.748 2318 K N 2.879 123.303 120.400 0.040 0.000 2.338 2318 K HA 0.282 4.602 4.320 0.000 0.000 0.290 2318 K C -0.960 175.662 176.600 0.037 0.000 1.069 2318 K CA -0.103 56.184 56.287 0.001 0.000 0.941 2318 K CB 0.465 32.859 32.500 -0.177 0.000 1.023 2318 K HN 0.443 nan 8.250 nan 0.000 0.477 2319 L N 3.280 124.615 121.223 0.187 0.000 2.371 2319 L HA 0.341 4.681 4.340 0.000 0.000 0.262 2319 L C -0.429 176.577 176.870 0.227 0.000 1.006 2319 L CA -1.377 53.591 54.840 0.213 0.000 0.818 2319 L CB 2.032 44.285 42.059 0.323 0.000 1.354 2319 L HN 0.736 nan 8.230 nan 0.000 0.415 2320 D N 0.346 120.851 120.400 0.176 0.000 2.368 2320 D HA 0.149 4.789 4.640 0.000 0.000 0.240 2320 D C -2.109 174.305 176.300 0.190 0.000 1.169 2320 D CA -1.206 52.890 54.000 0.160 0.000 0.906 2320 D CB 0.667 41.540 40.800 0.123 0.000 1.187 2320 D HN 0.196 nan 8.370 nan 0.000 0.435 2321 P HA -0.217 nan 4.420 nan 0.000 0.216 2321 P C 1.131 178.605 177.300 0.291 0.000 1.150 2321 P CA 1.531 64.736 63.100 0.175 0.000 0.843 2321 P CB 0.090 31.860 31.700 0.117 0.000 0.787 2322 K N -1.072 119.459 120.400 0.218 0.000 2.097 2322 K HA -0.071 4.249 4.320 0.000 0.000 0.205 2322 K C 1.736 178.461 176.600 0.209 0.000 1.050 2322 K CA 1.527 57.935 56.287 0.202 0.000 0.938 2322 K CB -0.399 32.185 32.500 0.141 0.000 0.718 2322 K HN 0.032 nan 8.250 nan 0.000 0.442 2323 T N 0.341 115.017 114.554 0.203 0.000 2.904 2323 T HA -0.140 4.210 4.350 0.000 0.000 0.267 2323 T C 1.117 175.950 174.700 0.221 0.000 1.059 2323 T CA 0.782 62.986 62.100 0.172 0.000 1.137 2323 T CB -0.203 68.747 68.868 0.136 0.000 0.879 2323 T HN 0.438 nan 8.240 nan 0.000 0.467 2324 W N 2.248 123.620 121.300 0.121 0.000 2.358 2324 W HA -0.071 4.589 4.660 0.000 0.000 0.303 2324 W C 2.449 179.091 176.519 0.206 0.000 1.208 2324 W CA 1.257 58.696 57.345 0.157 0.000 1.274 2324 W CB -0.615 28.946 29.460 0.168 0.000 1.138 2324 W HN 0.289 nan 8.180 nan 0.000 0.515 2325 A N 0.897 124.018 122.820 0.502 0.000 1.972 2325 A HA -0.067 4.253 4.320 0.000 0.000 0.219 2325 A C 2.187 179.896 177.584 0.208 0.000 1.169 2325 A CA 2.558 54.823 52.037 0.380 0.000 0.635 2325 A CB -1.219 17.976 19.000 0.326 0.000 0.810 2325 A HN 0.292 nan 8.150 nan 0.000 0.446 2326 A N -0.910 122.005 122.820 0.157 0.000 1.933 2326 A HA -0.185 4.135 4.320 0.000 0.000 0.218 2326 A C 2.090 179.708 177.584 0.056 0.000 1.175 2326 A CA 1.672 53.764 52.037 0.092 0.000 0.628 2326 A CB -0.433 18.612 19.000 0.076 0.000 0.814 2326 A HN 0.499 nan 8.150 nan 0.000 0.444 2327 Q N -0.492 119.320 119.800 0.019 0.000 2.124 2327 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 2327 Q C 2.113 178.132 176.000 0.032 0.000 0.977 2327 Q CA 1.988 57.772 55.803 -0.031 0.000 0.850 2327 Q CB -1.227 27.407 28.738 -0.174 0.000 0.901 2327 Q HN 0.636 nan 8.270 nan 0.000 0.429 2328 T N 1.090 115.702 114.554 0.096 0.000 2.821 2328 T HA -0.061 4.289 4.350 0.000 0.000 0.267 2328 T C 1.804 176.568 174.700 0.106 0.000 1.046 2328 T CA 0.753 62.980 62.100 0.212 0.000 1.139 2328 T CB -0.039 69.049 68.868 0.367 0.000 0.871 2328 T HN 0.261 nan 8.240 nan 0.000 0.454 2329 R N 0.719 121.262 120.500 0.071 0.000 2.152 2329 R HA 0.030 4.370 4.340 0.000 0.000 0.232 2329 R C 2.438 178.744 176.300 0.010 0.000 1.117 2329 R CA 0.755 56.867 56.100 0.020 0.000 0.981 2329 R CB -0.067 30.249 30.300 0.028 0.000 0.870 2329 R HN 0.220 nan 8.270 nan 0.000 0.451 2330 R N 0.172 120.689 120.500 0.028 0.000 2.189 2330 R HA 0.014 4.354 4.340 0.000 0.000 0.218 2330 R C 1.846 178.162 176.300 0.028 0.000 1.074 2330 R CA 0.737 56.849 56.100 0.022 0.000 0.991 2330 R CB 0.025 30.338 30.300 0.023 0.000 0.883 2330 R HN 0.169 nan 8.270 nan 0.000 0.457 2331 R N 0.405 120.935 120.500 0.049 0.000 2.146 2331 R HA 0.159 4.499 4.340 0.000 0.000 0.206 2331 R C 2.024 178.314 176.300 -0.018 0.000 1.049 2331 R CA 0.768 56.905 56.100 0.063 0.000 1.029 2331 R CB 0.059 30.474 30.300 0.191 0.000 0.949 2331 R HN 0.313 nan 8.270 nan 0.000 0.471 2332 I N -3.973 116.547 120.570 -0.084 0.000 4.147 2332 I HA 0.478 4.648 4.170 0.000 0.000 0.329 2332 I C 0.497 176.524 176.117 -0.149 0.000 1.424 2332 I CA 0.100 61.297 61.300 -0.172 0.000 1.127 2332 I CB 0.883 38.651 38.000 -0.387 0.000 1.128 2332 I HN -0.043 nan 8.210 nan 0.000 0.417 2333 A N 0.296 123.061 122.820 -0.092 0.000 2.861 2333 A HA -0.213 4.107 4.320 0.000 0.000 0.261 2333 A C 0.636 178.174 177.584 -0.078 0.000 1.351 2333 A CA 1.671 53.666 52.037 -0.070 0.000 0.904 2333 A CB -2.298 16.664 19.000 -0.064 0.000 1.076 2333 A HN 0.806 nan 8.150 nan 0.000 0.729 2334 T N -1.853 112.637 114.554 -0.108 0.000 2.654 2334 T HA 0.497 4.847 4.350 0.000 0.000 0.303 2334 T C -2.119 172.504 174.700 -0.127 0.000 1.656 2334 T CA 0.137 62.177 62.100 -0.100 0.000 0.971 2334 T CB 0.941 69.740 68.868 -0.114 0.000 1.811 2334 T HN 0.285 nan 8.240 nan 0.000 0.483 2335 D N 0.565 120.908 120.400 -0.094 0.000 2.217 2335 D HA 0.516 5.156 4.640 0.000 0.000 0.248 2335 D C -0.279 175.933 176.300 -0.148 0.000 1.008 2335 D CA -0.120 53.844 54.000 -0.060 0.000 0.914 2335 D CB 0.802 41.616 40.800 0.024 0.000 1.182 2335 D HN 0.333 nan 8.370 nan 0.000 0.451 2336 F N 0.586 120.472 119.950 -0.108 0.000 2.399 2336 F HA 0.220 4.747 4.527 0.000 0.000 0.313 2336 F C -1.342 174.354 175.800 -0.174 0.000 1.202 2336 F CA -1.266 56.592 58.000 -0.236 0.000 1.192 2336 F CB 0.080 38.835 39.000 -0.409 0.000 1.256 2336 F HN 0.070 nan 8.300 nan 0.000 0.558 2337 P HA -0.008 nan 4.420 nan 0.000 0.270 2337 P C -1.172 176.160 177.300 0.054 0.000 1.227 2337 P CA -0.271 62.893 63.100 0.106 0.000 0.788 2337 P CB 0.329 32.193 31.700 0.274 0.000 0.926 2338 K N 1.131 121.572 120.400 0.069 0.000 2.530 2338 K HA 0.109 4.429 4.320 0.000 0.000 0.280 2338 K C 1.289 177.952 176.600 0.105 0.000 1.004 2338 K CA 1.285 57.614 56.287 0.069 0.000 1.071 2338 K CB -0.771 31.790 32.500 0.101 0.000 0.876 2338 K HN 0.864 nan 8.250 nan 0.000 0.487 2339 G N 1.184 109.997 108.800 0.022 0.000 2.184 2339 G HA2 -0.256 3.704 3.960 0.000 0.000 0.264 2339 G HA3 -0.256 3.704 3.960 0.000 0.000 0.264 2339 G C 0.016 174.865 174.900 -0.085 0.000 0.975 2339 G CA 0.079 45.249 45.100 0.116 0.000 0.642 2339 G HN 0.428 nan 8.290 nan 0.000 0.536 2340 V N 0.997 120.697 119.914 -0.357 0.000 2.370 2340 V HA 0.649 4.769 4.120 0.000 0.000 0.283 2340 V C -0.292 175.440 176.094 -0.604 0.000 1.023 2340 V CA -0.815 61.274 62.300 -0.352 0.000 0.857 2340 V CB 0.827 32.416 31.823 -0.389 0.000 0.985 2340 V HN 0.252 nan 8.190 nan 0.000 0.443 2341 Y N 4.143 124.478 120.300 0.058 0.000 2.393 2341 Y HA 0.623 5.173 4.550 0.000 0.000 0.341 2341 Y C -0.508 175.568 175.900 0.294 0.000 0.988 2341 Y CA -0.803 57.435 58.100 0.231 0.000 1.078 2341 Y CB 1.824 40.344 38.460 0.101 0.000 1.203 2341 Y HN 0.631 nan 8.280 nan 0.000 0.453 2342 Y N 2.186 122.789 120.300 0.504 0.000 2.468 2342 Y HA 0.672 5.222 4.550 0.000 0.000 0.342 2342 Y C -1.192 175.004 175.900 0.494 0.000 1.021 2342 Y CA -1.831 56.460 58.100 0.319 0.000 1.079 2342 Y CB 1.714 40.288 38.460 0.190 0.000 1.226 2342 Y HN 0.803 nan 8.280 nan 0.000 0.460 2343 C N 6.632 125.671 119.300 -0.435 0.000 2.432 2343 C HA 0.366 4.826 4.460 0.000 0.000 0.334 2343 C C -1.318 173.292 174.990 -0.633 0.000 1.155 2343 C CA -0.709 58.120 59.018 -0.315 0.000 1.335 2343 C CB -0.018 27.916 27.740 0.323 0.000 1.964 2343 C HN 0.885 nan 8.230 nan 0.000 0.444 2344 D N 3.992 124.098 120.400 -0.490 0.000 2.280 2344 D HA 0.295 4.935 4.640 0.000 0.000 0.243 2344 D C 0.044 176.312 176.300 -0.053 0.000 1.129 2344 D CA 0.276 54.156 54.000 -0.200 0.000 0.848 2344 D CB 0.753 41.568 40.800 0.025 0.000 1.107 2344 D HN 0.710 nan 8.370 nan 0.000 0.471 2345 N N 3.514 122.221 118.700 0.012 0.000 2.451 2345 N HA 0.099 4.839 4.740 0.000 0.000 0.271 2345 N C 1.095 176.628 175.510 0.039 0.000 1.410 2345 N CA -0.171 52.896 53.050 0.028 0.000 0.884 2345 N CB 0.724 39.237 38.487 0.044 0.000 1.332 2345 N HN 0.358 nan 8.380 nan 0.000 0.498 2346 R N 0.486 121.017 120.500 0.053 0.000 2.081 2346 R HA -0.045 4.295 4.340 0.000 0.000 0.235 2346 R C 0.741 177.048 176.300 0.012 0.000 1.131 2346 R CA 1.164 57.289 56.100 0.042 0.000 0.960 2346 R CB 0.102 30.467 30.300 0.109 0.000 0.856 2346 R HN 0.121 nan 8.270 nan 0.000 0.436 2347 D N 0.419 120.833 120.400 0.023 0.000 2.183 2347 D HA -0.041 4.599 4.640 0.000 0.000 0.203 2347 D C 0.209 176.512 176.300 0.006 0.000 0.969 2347 D CA 1.242 55.251 54.000 0.014 0.000 0.842 2347 D CB 0.225 41.035 40.800 0.018 0.000 0.957 2347 D HN 0.119 nan 8.370 nan 0.000 0.484 2348 K N 0.904 121.310 120.400 0.009 0.000 2.753 2348 K HA 0.293 4.613 4.320 0.000 0.000 0.185 2348 K C -2.737 173.875 176.600 0.020 0.000 1.071 2348 K CA -1.467 54.827 56.287 0.012 0.000 0.999 2348 K CB 2.322 34.829 32.500 0.012 0.000 1.244 2348 K HN -0.107 nan 8.250 nan 0.000 0.594 2349 P HA -0.039 nan 4.420 nan 0.000 0.265 2349 P C -0.119 177.232 177.300 0.084 0.000 1.187 2349 P CA -0.185 62.944 63.100 0.049 0.000 0.766 2349 P CB 0.453 32.170 31.700 0.029 0.000 0.820 2350 I N 3.641 124.260 120.570 0.080 0.000 2.587 2350 I HA 0.008 4.178 4.170 0.000 0.000 0.284 2350 I C -0.040 176.221 176.117 0.240 0.000 1.134 2350 I CA 0.251 61.558 61.300 0.012 0.000 1.410 2350 I CB -1.201 36.570 38.000 -0.382 0.000 1.392 2350 I HN 0.402 nan 8.210 nan 0.000 0.545 2351 Y N 5.796 126.118 120.300 0.036 0.000 2.315 2351 Y HA 0.162 4.712 4.550 0.000 0.000 0.324 2351 Y C 1.287 177.212 175.900 0.041 0.000 1.062 2351 Y CA -1.051 57.093 58.100 0.074 0.000 1.159 2351 Y CB 1.583 40.079 38.460 0.060 0.000 1.145 2351 Y HN 0.725 nan 8.280 nan 0.000 0.442 2352 T N 0.748 115.220 114.554 -0.136 0.000 2.881 2352 T HA -0.181 4.169 4.350 0.000 0.000 0.270 2352 T C 2.034 176.581 174.700 -0.255 0.000 1.068 2352 T CA 1.790 63.796 62.100 -0.158 0.000 1.131 2352 T CB -0.705 68.096 68.868 -0.112 0.000 0.871 2352 T HN 0.548 nan 8.240 nan 0.000 0.479 2353 L N 0.653 121.543 121.223 -0.554 0.000 2.056 2353 L HA 0.354 4.694 4.340 0.000 0.000 0.207 2353 L C 3.037 179.813 176.870 -0.157 0.000 1.078 2353 L CA 2.384 56.976 54.840 -0.412 0.000 0.749 2353 L CB -2.198 39.483 42.059 -0.630 0.000 0.901 2353 L HN 0.726 nan 8.230 nan 0.000 0.433 2354 Q N -2.413 117.360 119.800 -0.045 0.000 2.360 2354 Q HA 0.369 4.709 4.340 0.000 0.000 0.202 2354 Q C 1.437 177.463 176.000 0.043 0.000 0.915 2354 Q CA 1.535 57.387 55.803 0.081 0.000 0.943 2354 Q CB -0.955 27.915 28.738 0.221 0.000 1.064 2354 Q HN 1.856 nan 8.270 nan 0.000 0.511 2355 Y N -3.208 117.094 120.300 0.004 0.000 2.795 2355 Y HA 0.546 5.096 4.550 0.000 0.000 0.274 2355 Y C 1.274 177.165 175.900 -0.016 0.000 1.035 2355 Y CA 0.235 58.336 58.100 0.002 0.000 1.252 2355 Y CB -0.064 38.404 38.460 0.013 0.000 1.399 2355 Y HN 1.235 nan 8.280 nan 0.000 0.579 2356 G N 0.899 109.677 108.800 -0.038 0.000 2.796 2356 G HA2 -0.168 3.792 3.960 0.000 0.000 0.571 2356 G HA3 -0.168 3.792 3.960 0.000 0.000 0.571 2356 G C -0.507 174.372 174.900 -0.035 0.000 1.370 2356 G CA -0.379 44.698 45.100 -0.040 0.000 0.856 2356 G HN 0.941 nan 8.290 nan 0.000 0.538 2357 N N -0.991 117.692 118.700 -0.028 0.000 2.454 2357 N HA 0.332 5.072 4.740 0.000 0.000 0.254 2357 N C 0.002 175.521 175.510 0.015 0.000 1.228 2357 N CA 0.395 53.438 53.050 -0.011 0.000 0.900 2357 N CB 0.802 39.279 38.487 -0.017 0.000 1.089 2357 N HN 0.519 nan 8.380 nan 0.000 0.449 2358 V N 0.142 120.092 119.914 0.060 0.000 2.962 2358 V HA 0.754 4.874 4.120 0.000 0.000 0.313 2358 V C 0.394 176.647 176.094 0.265 0.000 1.099 2358 V CA -0.817 61.550 62.300 0.111 0.000 0.971 2358 V CB 2.086 33.926 31.823 0.029 0.000 1.028 2358 V HN 0.811 nan 8.190 nan 0.000 0.430 2359 G N 0.682 109.635 108.800 0.256 0.000 2.660 2359 G HA2 0.672 4.632 3.960 0.000 0.000 0.294 2359 G HA3 0.672 4.632 3.960 0.000 0.000 0.294 2359 G C -2.053 173.010 174.900 0.272 0.000 1.369 2359 G CA -0.606 44.617 45.100 0.206 0.000 0.912 2359 G HN 0.489 nan 8.290 nan 0.000 0.479 2360 F N 1.696 121.647 119.950 0.001 0.000 2.408 2360 F HA 0.652 5.179 4.527 0.000 0.000 0.344 2360 F C -0.226 175.555 175.800 -0.031 0.000 1.112 2360 F CA -0.502 57.531 58.000 0.054 0.000 1.096 2360 F CB 1.755 40.732 39.000 -0.038 0.000 1.129 2360 F HN 0.283 nan 8.300 nan 0.000 0.486 2361 V N 6.490 126.132 119.914 -0.455 0.000 2.555 2361 V HA 0.586 4.706 4.120 0.000 0.000 0.302 2361 V C -0.818 175.064 176.094 -0.354 0.000 1.038 2361 V CA -0.872 61.270 62.300 -0.264 0.000 0.887 2361 V CB 1.583 33.322 31.823 -0.140 0.000 0.991 2361 V HN 0.568 nan 8.190 nan 0.000 0.434 2362 V N 3.860 123.662 119.914 -0.186 0.000 2.577 2362 V HA 0.469 4.589 4.120 0.000 0.000 0.303 2362 V C -0.374 175.513 176.094 -0.345 0.000 1.042 2362 V CA -0.627 61.486 62.300 -0.311 0.000 0.872 2362 V CB 2.027 33.673 31.823 -0.294 0.000 0.998 2362 V HN 0.897 nan 8.190 nan 0.000 0.423 2363 N N 6.792 125.146 118.700 -0.577 0.000 2.558 2363 N HA 0.371 5.111 4.740 0.000 0.000 0.242 2363 N C -2.760 172.459 175.510 -0.486 0.000 0.979 2363 N CA -1.622 51.068 53.050 -0.600 0.000 0.931 2363 N CB 2.535 40.348 38.487 -1.123 0.000 1.122 2363 N HN 0.342 nan 8.380 nan 0.000 0.508 2364 P HA 0.130 nan 4.420 nan 0.000 0.275 2364 P C 0.172 177.399 177.300 -0.122 0.000 1.228 2364 P CA -0.153 62.809 63.100 -0.230 0.000 0.786 2364 P CB 2.069 33.629 31.700 -0.234 0.000 0.927 2365 K N 1.400 121.773 120.400 -0.044 0.000 2.168 2365 K HA 0.089 4.409 4.320 0.000 0.000 0.201 2365 K C 0.033 176.632 176.600 -0.002 0.000 1.049 2365 K CA 0.931 57.202 56.287 -0.026 0.000 0.974 2365 K CB 0.290 32.785 32.500 -0.008 0.000 0.792 2365 K HN 0.426 nan 8.250 nan 0.000 0.463 2366 T N 0.809 115.382 114.554 0.032 0.000 2.886 2366 T HA 0.435 4.785 4.350 0.000 0.000 0.292 2366 T C -1.457 173.273 174.700 0.051 0.000 1.012 2366 T CA -0.699 61.410 62.100 0.015 0.000 0.982 2366 T CB 2.297 71.157 68.868 -0.015 0.000 1.018 2366 T HN -0.175 nan 8.240 nan 0.000 0.451 2367 V N 4.322 124.245 119.914 0.015 0.000 2.447 2367 V HA 0.404 4.524 4.120 0.000 0.000 0.292 2367 V C -0.267 175.802 176.094 -0.041 0.000 1.021 2367 V CA -1.131 61.184 62.300 0.024 0.000 0.850 2367 V CB 1.472 33.305 31.823 0.017 0.000 1.005 2367 V HN 0.770 nan 8.190 nan 0.000 0.426 2368 N N 2.583 121.226 118.700 -0.094 0.000 2.379 2368 N HA 0.293 5.033 4.740 0.000 0.000 0.260 2368 N C 0.037 175.498 175.510 -0.082 0.000 1.254 2368 N CA -0.607 52.382 53.050 -0.103 0.000 0.958 2368 N CB 0.533 38.927 38.487 -0.155 0.000 1.208 2368 N HN 0.541 nan 8.380 nan 0.000 0.532 2369 Q N 1.144 120.902 119.800 -0.070 0.000 2.364 2369 Q HA 0.063 4.403 4.340 0.000 0.000 0.267 2369 Q C -0.009 175.954 176.000 -0.062 0.000 0.999 2369 Q CA 0.345 56.116 55.803 -0.053 0.000 0.886 2369 Q CB 0.134 28.847 28.738 -0.042 0.000 1.243 2369 Q HN 0.482 nan 8.270 nan 0.000 0.415 2370 N N -1.297 117.376 118.700 -0.046 0.000 2.776 2370 N HA -0.182 4.558 4.740 0.000 0.000 0.249 2370 N C -0.710 174.764 175.510 -0.059 0.000 1.111 2370 N CA 0.989 54.014 53.050 -0.042 0.000 0.711 2370 N CB -1.290 37.175 38.487 -0.037 0.000 1.065 2370 N HN 0.671 nan 8.380 nan 0.000 0.556 2371 A N 0.815 123.599 122.820 -0.061 0.000 2.371 2371 A HA 0.658 4.978 4.320 0.000 0.000 0.257 2371 A C 0.887 178.456 177.584 -0.025 0.000 1.089 2371 A CA 0.135 52.146 52.037 -0.043 0.000 0.794 2371 A CB 0.651 19.664 19.000 0.022 0.000 1.029 2371 A HN 0.471 nan 8.150 nan 0.000 0.488 2372 R N 0.806 121.320 120.500 0.024 0.000 2.712 2372 R HA 0.616 4.956 4.340 0.000 0.000 0.272 2372 R C -2.118 174.221 176.300 0.064 0.000 1.032 2372 R CA -0.926 55.171 56.100 -0.005 0.000 0.874 2372 R CB 0.919 31.239 30.300 0.032 0.000 1.256 2372 R HN 0.469 nan 8.270 nan 0.000 0.468 2373 L N 2.605 123.847 121.223 0.032 0.000 2.296 2373 L HA 0.487 4.827 4.340 0.000 0.000 0.286 2373 L C -0.761 176.189 176.870 0.134 0.000 1.023 2373 L CA -1.053 53.840 54.840 0.089 0.000 0.812 2373 L CB 1.674 43.790 42.059 0.095 0.000 1.223 2373 L HN 0.461 nan 8.230 nan 0.000 0.421 2374 L N 4.858 126.177 121.223 0.159 0.000 2.265 2374 L HA 0.459 4.799 4.340 0.000 0.000 0.289 2374 L C -0.203 176.747 176.870 0.133 0.000 1.033 2374 L CA -0.319 54.648 54.840 0.211 0.000 0.814 2374 L CB 1.310 43.573 42.059 0.339 0.000 1.203 2374 L HN 0.479 nan 8.230 nan 0.000 0.423 2375 M N 2.566 122.166 119.600 -0.001 0.000 2.363 2375 M HA 0.517 4.997 4.480 0.000 0.000 0.343 2375 M C 0.269 176.286 176.300 -0.473 0.000 1.165 2375 M CA -0.375 54.741 55.300 -0.307 0.000 1.046 2375 M CB 1.579 33.920 32.600 -0.432 0.000 1.648 2375 M HN 0.582 nan 8.290 nan 0.000 0.452 2376 G N 2.886 111.259 108.800 -0.713 0.000 2.544 2376 G HA2 0.696 4.656 3.960 0.000 0.000 0.313 2376 G HA3 0.696 4.656 3.960 0.000 0.000 0.313 2376 G C -1.887 172.606 174.900 -0.678 0.000 1.316 2376 G CA -0.240 44.223 45.100 -1.062 0.000 0.944 2376 G HN 0.594 nan 8.290 nan 0.000 0.489 2377 Y N 0.156 120.485 120.300 0.048 0.000 2.499 2377 Y HA 0.581 5.131 4.550 0.000 0.000 0.347 2377 Y C 0.239 176.391 175.900 0.419 0.000 0.987 2377 Y CA -0.943 57.381 58.100 0.374 0.000 1.044 2377 Y CB 2.849 41.650 38.460 0.569 0.000 1.245 2377 Y HN 0.503 nan 8.280 nan 0.000 0.461 2378 E N 2.572 123.105 120.200 0.556 0.000 2.199 2378 E HA 0.453 4.803 4.350 0.000 0.000 0.265 2378 E C -1.860 174.907 176.600 0.277 0.000 0.882 2378 E CA -0.691 55.877 56.400 0.281 0.000 0.759 2378 E CB 1.318 31.206 29.700 0.312 0.000 1.148 2378 E HN 0.570 nan 8.360 nan 0.000 0.412 2379 Y N 1.656 121.967 120.300 0.018 0.000 2.638 2379 Y HA 0.562 5.112 4.550 0.000 0.000 0.335 2379 Y C -1.903 173.963 175.900 -0.057 0.000 1.155 2379 Y CA -1.478 56.531 58.100 -0.152 0.000 1.046 2379 Y CB 0.998 39.206 38.460 -0.420 0.000 1.303 2379 Y HN 0.301 nan 8.280 nan 0.000 0.460 2380 F N 0.860 120.919 119.950 0.182 0.000 2.480 2380 F HA 0.709 5.236 4.527 0.000 0.000 0.329 2380 F C 0.191 176.062 175.800 0.119 0.000 1.091 2380 F CA -0.913 57.144 58.000 0.095 0.000 0.972 2380 F CB 2.529 41.528 39.000 -0.001 0.000 1.150 2380 F HN 0.737 nan 8.300 nan 0.000 0.467 2381 T N 1.125 115.842 114.554 0.272 0.000 2.885 2381 T HA 0.278 4.628 4.350 0.000 0.000 0.322 2381 T C -1.122 173.643 174.700 0.108 0.000 1.387 2381 T CA -0.565 61.648 62.100 0.189 0.000 1.041 2381 T CB 1.477 70.436 68.868 0.150 0.000 1.287 2381 T HN 0.480 nan 8.240 nan 0.000 0.491 2382 S N 2.319 118.082 115.700 0.105 0.000 2.548 2382 S HA 0.249 4.719 4.470 0.000 0.000 0.277 2382 S C 1.502 176.136 174.600 0.055 0.000 1.315 2382 S CA -0.593 57.642 58.200 0.059 0.000 1.050 2382 S CB 1.041 64.278 63.200 0.061 0.000 0.918 2382 S HN 0.659 nan 8.310 nan 0.000 0.497 2383 R N 1.838 122.355 120.500 0.029 0.000 2.083 2383 R HA -0.107 4.233 4.340 0.000 0.000 0.237 2383 R C 1.232 177.557 176.300 0.041 0.000 1.137 2383 R CA 1.576 57.691 56.100 0.025 0.000 0.951 2383 R CB -0.659 29.656 30.300 0.026 0.000 0.851 2383 R HN 0.773 nan 8.270 nan 0.000 0.434 2384 T N 0.705 115.284 114.554 0.041 0.000 3.151 2384 T HA 0.526 4.876 4.350 0.000 0.000 0.332 2384 T C -0.181 174.548 174.700 0.048 0.000 1.245 2384 T CA 0.288 62.413 62.100 0.041 0.000 1.019 2384 T CB 0.110 68.998 68.868 0.033 0.000 1.109 2384 T HN 0.363 nan 8.240 nan 0.000 0.621 2385 E N 0.000 120.234 120.200 0.056 0.000 2.725 2385 E HA 0.000 4.350 4.350 0.000 0.000 0.291 2385 E CA 0.000 nan 56.400 nan 0.000 0.976 2385 E CB 0.000 nan 29.700 nan 0.000 0.812 2385 E HN 0.000 nan 8.360 nan 0.000 0.440