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_K 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 -0.335 122.490 122.820 0.008 0.000 4.029 2014 A HA -0.068 4.252 4.320 0.000 0.000 0.268 2014 A C 2.196 179.783 177.584 0.005 0.000 0.943 2014 A CA 3.035 55.077 52.037 0.008 0.000 1.137 2014 A CB -2.309 16.697 19.000 0.009 0.000 1.074 2014 A HN 2.546 nan 8.150 nan 0.000 0.854 2015 L N -2.138 119.087 121.223 0.004 0.000 2.341 2015 L HA 0.554 4.894 4.340 0.000 0.000 0.214 2015 L C 2.808 179.679 176.870 0.002 0.000 1.115 2015 L CA 2.430 57.272 54.840 0.002 0.000 0.820 2015 L CB -2.434 39.626 42.059 0.003 0.000 0.944 2015 L HN 1.494 nan 8.230 nan 0.000 0.452 2016 R N 0.432 120.933 120.500 0.003 0.000 2.092 2016 R HA -0.147 4.193 4.340 0.000 0.000 0.231 2016 R C 2.031 178.331 176.300 0.000 0.000 1.119 2016 R CA 1.612 57.714 56.100 0.002 0.000 0.970 2016 R CB -1.585 28.717 30.300 0.004 0.000 0.864 2016 R HN 0.853 nan 8.270 nan 0.000 0.440 2017 N N 0.090 118.790 118.700 -0.000 0.000 2.300 2017 N HA -0.150 4.590 4.740 0.000 0.000 0.179 2017 N C 1.925 177.430 175.510 -0.007 0.000 1.016 2017 N CA 1.409 54.457 53.050 -0.004 0.000 0.876 2017 N CB -0.115 38.371 38.487 -0.002 0.000 0.979 2017 N HN 0.697 nan 8.380 nan 0.000 0.432 2018 Q N 1.065 120.862 119.800 -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 1.181 56.980 55.803 -0.007 0.000 0.855 2018 Q CB 0.205 28.941 28.738 -0.004 0.000 0.911 2018 Q HN 0.427 nan 8.270 nan 0.000 0.438 2019 Q N -0.621 119.176 119.800 -0.005 0.000 2.096 2019 Q HA -0.051 4.289 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 0.985 56.786 55.803 -0.004 0.000 0.838 2019 Q CB -0.114 28.623 28.738 -0.001 0.000 0.906 2019 Q HN 0.436 nan 8.270 nan 0.000 0.444 2020 A N 1.238 124.054 122.820 -0.007 0.000 1.940 2020 A HA -0.199 4.121 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 1.337 53.368 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 -0.699 118.890 119.600 -0.019 0.000 2.086 2021 M HA -0.153 4.327 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 1.725 57.009 55.300 -0.027 0.000 1.116 2021 M CB -1.199 31.385 32.600 -0.028 0.000 1.348 2021 M HN 0.504 nan 8.290 nan 0.000 0.407 2022 A N 0.101 122.912 122.820 -0.016 0.000 1.930 2022 A HA 0.037 4.357 4.320 0.000 0.000 0.217 2022 A C 2.389 179.967 177.584 -0.010 0.000 1.175 2022 A CA 1.878 53.908 52.037 -0.012 0.000 0.627 2022 A CB -0.792 18.203 19.000 -0.008 0.000 0.815 2022 A HN 0.491 nan 8.150 nan 0.000 0.443 2023 A N 0.298 123.113 122.820 -0.008 0.000 1.898 2023 A HA -0.200 4.120 4.320 0.000 0.000 0.216 2023 A C 2.085 179.664 177.584 -0.007 0.000 1.181 2023 A CA 1.666 53.700 52.037 -0.005 0.000 0.620 2023 A CB -0.700 18.299 19.000 -0.002 0.000 0.819 2023 A HN 0.672 nan 8.150 nan 0.000 0.442 2024 N N -0.056 118.636 118.700 -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 1.818 54.855 53.050 -0.021 0.000 0.849 2024 N CB -0.241 38.226 38.487 -0.033 0.000 1.012 2024 N HN 0.336 nan 8.380 nan 0.000 0.423 2025 L N 1.964 123.173 121.223 -0.024 0.000 2.046 2025 L HA -0.125 4.215 4.340 0.000 0.000 0.208 2025 L C 2.627 179.488 176.870 -0.014 0.000 1.077 2025 L CA 1.623 56.449 54.840 -0.022 0.000 0.747 2025 L CB -0.996 41.050 42.059 -0.022 0.000 0.896 2025 L HN 0.279 nan 8.230 nan 0.000 0.432 2026 Q N -0.792 119.002 119.800 -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 1.962 57.762 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 1.199 124.018 122.820 -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 1.437 53.475 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 -0.193 120.301 120.500 -0.010 0.000 2.083 2028 R HA -0.217 4.123 4.340 0.000 0.000 0.237 2028 R C 2.283 178.577 176.300 -0.009 0.000 1.137 2028 R CA 2.039 58.131 56.100 -0.012 0.000 0.951 2028 R CB -0.375 29.914 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 -0.154 4.186 4.340 0.000 0.000 0.202 2029 Q C 2.274 178.271 176.000 -0.005 0.000 0.978 2029 Q CA 1.794 57.593 55.803 -0.006 0.000 0.844 2029 Q CB -0.144 28.591 28.738 -0.006 0.000 0.898 2029 Q HN 0.447 nan 8.270 nan 0.000 0.426 2030 I N 0.071 120.640 120.570 -0.002 0.000 2.179 2030 I HA -0.261 3.909 4.170 0.000 0.000 0.242 2030 I C 2.259 178.375 176.117 -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 1.204 121.114 119.914 -0.007 0.000 2.287 2031 V HA -0.286 3.834 4.120 0.000 0.000 0.248 2031 V C 2.410 178.494 176.094 -0.015 0.000 1.053 2031 V CA 1.830 64.120 62.300 -0.016 0.000 1.027 2031 V CB -0.457 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 -0.733 120.482 121.223 -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 1.301 56.132 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 -0.445 119.349 119.800 -0.010 0.000 2.123 2033 Q HA -0.136 4.204 4.340 0.000 0.000 0.199 2033 Q C 2.249 178.245 176.000 -0.007 0.000 0.966 2033 Q CA 1.174 56.972 55.803 -0.008 0.000 0.845 2033 Q CB -0.028 28.707 28.738 -0.005 0.000 0.907 2033 Q HN 0.520 nan 8.270 nan 0.000 0.439 2034 Q N 0.314 120.111 119.800 -0.004 0.000 2.204 2034 Q HA 0.040 4.380 4.340 0.000 0.000 0.198 2034 Q C 1.182 177.180 176.000 -0.002 0.000 0.946 2034 Q CA 0.338 56.142 55.803 0.001 0.000 0.859 2034 Q CB 0.042 28.786 28.738 0.009 0.000 0.946 2034 Q HN 0.294 nan 8.270 nan 0.000 0.474 2035 S N -1.021 114.672 115.700 -0.011 0.000 2.608 2035 S HA 0.404 4.874 4.470 0.000 0.000 0.261 2035 S C -0.017 174.571 174.600 -0.020 0.000 1.314 2035 S CA -0.385 57.806 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 -0.225 120.060 120.300 -0.025 0.000 2.328 2036 Y HA 0.729 5.279 4.550 0.000 0.000 0.336 2036 Y C -2.852 172.997 175.900 -0.086 0.000 0.960 2036 Y CA -3.249 54.825 58.100 -0.044 0.000 1.134 2036 Y CB 0.975 39.415 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 63.261 63.100 -0.148 0.000 0.776 2037 P CB 2.166 33.804 31.700 -0.102 0.000 0.888 2038 V N 5.021 124.697 119.914 -0.396 0.000 2.760 2038 V HA 0.454 4.574 4.120 0.000 0.000 0.309 2038 V C 0.072 175.925 176.094 -0.402 0.000 1.077 2038 V CA -0.759 61.260 62.300 -0.469 0.000 0.910 2038 V CB 2.433 33.769 31.823 -0.811 0.000 1.008 2038 V HN 0.523 nan 8.190 nan 0.000 0.424 2039 I N 3.546 124.025 120.570 -0.151 0.000 2.418 2039 I HA 0.628 4.798 4.170 0.000 0.000 0.287 2039 I C -0.697 175.511 176.117 0.151 0.000 1.008 2039 I CA -0.023 61.293 61.300 0.027 0.000 1.104 2039 I CB 1.455 39.476 38.000 0.035 0.000 1.264 2039 I HN 0.836 nan 8.210 nan 0.000 0.438 2040 Q N 6.450 126.431 119.800 0.302 0.000 2.359 2040 Q HA 0.311 4.651 4.340 0.000 0.000 0.274 2040 Q C -1.378 174.840 176.000 0.363 0.000 1.074 2040 Q CA -0.773 55.237 55.803 0.345 0.000 0.810 2040 Q CB 2.211 31.153 28.738 0.340 0.000 1.342 2040 Q HN 0.734 nan 8.270 nan 0.000 0.427 2041 Q N 1.895 121.843 119.800 0.246 0.000 2.337 2041 Q HA 0.163 4.503 4.340 0.000 0.000 0.270 2041 Q C 0.136 176.137 176.000 0.002 0.000 1.002 2041 Q CA 0.159 55.890 55.803 -0.120 0.000 0.888 2041 Q CB 0.964 29.549 28.738 -0.255 0.000 1.222 2041 Q HN 0.641 nan 8.270 nan 0.000 0.400 2042 V N 0.063 119.975 119.914 -0.004 0.000 3.572 2042 V HA 0.415 4.535 4.120 0.000 0.000 0.260 2042 V C 0.112 176.222 176.094 0.027 0.000 1.324 2042 V CA 0.483 62.818 62.300 0.057 0.000 1.068 2042 V CB 0.332 32.234 31.823 0.132 0.000 0.837 2042 V HN 0.840 nan 8.190 nan 0.000 0.450 2043 E N -0.570 119.628 120.200 -0.005 0.000 2.400 2043 E HA 0.539 4.889 4.350 0.000 0.000 0.285 2043 E C -1.642 174.910 176.600 -0.081 0.000 1.005 2043 E CA -0.309 56.089 56.400 -0.002 0.000 0.816 2043 E CB 2.256 32.015 29.700 0.098 0.000 1.220 2043 E HN 0.231 nan 8.360 nan 0.000 0.426 2044 T N 2.995 117.434 114.554 -0.192 0.000 2.952 2044 T HA 0.469 4.819 4.350 0.000 0.000 0.305 2044 T C -1.249 173.160 174.700 -0.484 0.000 1.064 2044 T CA -0.691 61.193 62.100 -0.359 0.000 1.008 2044 T CB 1.704 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 0.920 120.227 119.800 -0.822 0.000 2.377 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 1.049 2045 Q CA -0.796 54.648 55.803 -0.598 0.000 0.825 2045 Q CB 2.833 31.167 28.738 -0.672 0.000 1.401 2045 Q HN 0.580 nan 8.270 nan 0.000 0.404 2046 T N 2.622 117.063 114.554 -0.187 0.000 2.824 2046 T HA 0.763 5.113 4.350 0.000 0.000 0.282 2046 T C -1.032 173.685 174.700 0.027 0.000 0.993 2046 T CA -0.428 61.586 62.100 -0.145 0.000 0.967 2046 T CB 0.378 69.168 68.868 -0.131 0.000 0.960 2046 T HN 0.448 nan 8.240 nan 0.000 0.441 2047 F N -0.046 119.819 119.950 -0.142 0.000 2.685 2047 F HA 0.747 5.274 4.527 0.000 0.000 0.315 2047 F C -1.383 174.402 175.800 -0.027 0.000 1.126 2047 F CA -1.340 56.641 58.000 -0.032 0.000 0.950 2047 F CB 1.208 40.267 39.000 0.097 0.000 1.360 2047 F HN 0.294 nan 8.300 nan 0.000 0.469 2048 D N 1.906 122.416 120.400 0.183 0.000 2.329 2048 D HA 0.428 5.068 4.640 0.000 0.000 0.232 2048 D C -2.092 174.364 176.300 0.258 0.000 1.088 2048 D CA -2.587 51.468 54.000 0.092 0.000 0.835 2048 D CB 2.068 42.932 40.800 0.105 0.000 1.078 2048 D HN 0.218 nan 8.370 nan 0.000 0.495 2049 P HA -0.101 nan 4.420 nan 0.000 0.220 2049 P C 0.895 178.327 177.300 0.219 0.000 1.144 2049 P CA 1.062 64.312 63.100 0.251 0.000 0.800 2049 P CB 0.277 31.983 31.700 0.009 0.000 0.772 2050 A N -0.626 122.307 122.820 0.189 0.000 2.015 2050 A HA -0.182 4.138 4.320 0.000 0.000 0.219 2050 A C 2.063 179.720 177.584 0.122 0.000 1.163 2050 A CA 1.595 53.724 52.037 0.153 0.000 0.646 2050 A CB -0.923 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 -0.378 118.403 118.700 0.135 0.000 2.305 2051 N HA 0.040 4.780 4.740 0.000 0.000 0.179 2051 N C 0.571 176.117 175.510 0.060 0.000 1.019 2051 N CA 1.042 54.149 53.050 0.095 0.000 0.869 2051 N CB 0.079 38.628 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 2.634 2052 R HA 0.435 4.775 4.340 0.000 0.000 0.263 2052 R C -0.541 175.765 176.300 0.010 0.000 1.060 2052 R CA -0.516 55.556 56.100 -0.045 0.000 0.898 2052 R CB 0.884 31.040 30.300 -0.241 0.000 1.253 2052 R HN -0.042 nan 8.270 nan 0.000 0.461 2053 S N -0.452 115.208 115.700 -0.068 0.000 2.744 2053 S HA 0.186 4.656 4.470 0.000 0.000 0.265 2053 S C -0.115 174.562 174.600 0.129 0.000 1.065 2053 S CA -0.165 58.111 58.200 0.126 0.000 1.191 2053 S CB 0.786 64.110 63.200 0.207 0.000 1.150 2053 S HN 0.242 nan 8.310 nan 0.000 0.646 2054 V N 2.987 122.793 119.914 -0.179 0.000 2.398 2054 V HA 0.660 4.780 4.120 0.000 0.000 0.286 2054 V C -1.203 174.622 176.094 -0.449 0.000 1.026 2054 V CA -0.426 61.781 62.300 -0.155 0.000 0.868 2054 V CB 0.799 32.532 31.823 -0.151 0.000 0.982 2054 V HN 0.398 nan 8.190 nan 0.000 0.443 2055 F N 1.639 121.519 119.950 -0.116 0.000 2.563 2055 F HA 0.539 5.066 4.527 0.000 0.000 0.316 2055 F C 0.111 175.832 175.800 -0.133 0.000 1.076 2055 F CA -0.861 57.070 58.000 -0.115 0.000 0.921 2055 F CB 2.078 41.020 39.000 -0.098 0.000 1.209 2055 F HN 0.394 nan 8.300 nan 0.000 0.462 2056 D N 2.421 122.851 120.400 0.050 0.000 2.471 2056 D HA 0.382 5.022 4.640 0.000 0.000 0.245 2056 D C -1.017 175.292 176.300 0.015 0.000 1.116 2056 D CA -0.109 53.882 54.000 -0.015 0.000 0.853 2056 D CB 2.550 43.317 40.800 -0.054 0.000 1.123 2056 D HN 0.107 nan 8.370 nan 0.000 0.540 2057 V N 2.178 122.075 119.914 -0.029 0.000 2.439 2057 V HA 0.259 4.379 4.120 0.000 0.000 0.282 2057 V C 0.600 176.666 176.094 -0.046 0.000 1.039 2057 V CA -0.255 62.036 62.300 -0.015 0.000 0.913 2057 V CB 1.744 33.534 31.823 -0.056 0.000 0.983 2057 V HN 0.462 nan 8.190 nan 0.000 0.460 2058 T N 7.214 121.764 114.554 -0.007 0.000 2.853 2058 T HA 0.372 4.722 4.350 0.000 0.000 0.317 2058 T C -2.130 172.585 174.700 0.026 0.000 1.059 2058 T CA -0.774 61.322 62.100 -0.007 0.000 0.954 2058 T CB 1.040 69.907 68.868 -0.002 0.000 0.994 2058 T HN 0.570 nan 8.240 nan 0.000 0.479 2059 P HA 0.458 nan 4.420 nan 0.000 0.275 2059 P C -0.532 176.825 177.300 0.094 0.000 1.266 2059 P CA -0.650 62.534 63.100 0.139 0.000 0.793 2059 P CB 0.685 32.581 31.700 0.328 0.000 1.074 2060 A N 1.004 123.869 122.820 0.074 0.000 2.371 2060 A HA 0.172 4.492 4.320 0.000 0.000 0.257 2060 A C 0.299 177.855 177.584 -0.047 0.000 1.089 2060 A CA -0.487 51.545 52.037 -0.009 0.000 0.794 2060 A CB -0.699 18.264 19.000 -0.061 0.000 1.029 2060 A HN 0.589 nan 8.150 nan 0.000 0.488 2061 N N 0.857 119.525 118.700 -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 52.845 53.050 -0.051 0.000 1.060 2061 N CB 0.646 39.125 38.487 -0.014 0.000 1.345 2061 N HN 0.345 nan 8.380 nan 0.000 0.515 2062 V N 0.955 120.738 119.914 -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 61.501 62.300 -0.262 0.000 0.855 2062 V CB 1.049 32.581 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 -0.082 174.807 174.900 -0.019 0.000 1.301 2063 G CA 0.503 45.588 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 0.018 0.000 2.304 2064 I HA 0.369 4.539 4.170 0.000 0.000 0.291 2064 I C 0.401 176.551 176.117 0.056 0.000 1.018 2064 I CA -0.689 60.622 61.300 0.019 0.000 1.260 2064 I CB 1.549 39.549 38.000 0.001 0.000 1.390 2064 I HN 0.295 nan 8.210 nan 0.000 0.475 2065 V N 7.611 127.532 119.914 0.011 0.000 2.461 2065 V HA 0.149 4.269 4.120 0.000 0.000 0.275 2065 V C 0.878 176.922 176.094 -0.084 0.000 1.047 2065 V CA -0.217 62.057 62.300 -0.043 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 2.916 123.272 120.400 -0.074 0.000 2.276 2066 K HA 0.471 4.791 4.320 0.000 0.000 0.198 2066 K C 0.824 177.358 176.600 -0.111 0.000 1.052 2066 K CA 0.715 57.001 56.287 -0.001 0.000 0.984 2066 K CB 0.603 33.184 32.500 0.136 0.000 0.836 2066 K HN 0.921 nan 8.250 nan 0.000 0.490 2067 G N -0.169 108.350 108.800 -0.468 0.000 2.317 2067 G HA2 0.359 4.319 3.960 0.000 0.000 0.293 2067 G HA3 0.359 4.319 3.960 0.000 0.000 0.293 2067 G C -1.959 172.094 174.900 -1.412 0.000 1.287 2067 G CA -1.042 43.438 45.100 -1.032 0.000 0.850 2067 G HN -0.013 nan 8.290 nan 0.000 0.515 2068 F N -0.484 118.864 119.950 -1.004 0.000 2.547 2068 F HA 0.659 5.186 4.527 0.000 0.000 0.316 2068 F C -0.246 175.423 175.800 -0.219 0.000 1.121 2068 F CA -0.810 56.951 58.000 -0.399 0.000 0.911 2068 F CB 2.348 41.215 39.000 -0.222 0.000 1.179 2068 F HN 0.421 nan 8.300 nan 0.000 0.443 2069 L N 4.487 125.973 121.223 0.438 0.000 2.272 2069 L HA 0.715 5.055 4.340 0.000 0.000 0.289 2069 L C -1.044 176.167 176.870 0.568 0.000 1.032 2069 L CA -0.505 54.730 54.840 0.658 0.000 0.810 2069 L CB 1.101 43.581 42.059 0.702 0.000 1.205 2069 L HN 0.400 nan 8.230 nan 0.000 0.422 2070 V N 5.687 125.898 119.914 0.495 0.000 2.357 2070 V HA 0.394 4.514 4.120 0.000 0.000 0.284 2070 V C 0.063 176.335 176.094 0.297 0.000 1.018 2070 V CA -0.803 61.725 62.300 0.380 0.000 0.841 2070 V CB 1.153 33.136 31.823 0.266 0.000 0.991 2070 V HN 0.718 nan 8.190 nan 0.000 0.437 2071 K N 4.291 124.785 120.400 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 -0.366 55.748 56.287 -0.290 0.000 0.909 2071 K CB 1.537 33.903 32.500 -0.224 0.000 1.062 2071 K HN 0.502 nan 8.250 nan 0.000 0.465 2072 V N 3.501 123.373 119.914 -0.071 0.000 2.531 2072 V HA 0.358 4.478 4.120 0.000 0.000 0.301 2072 V C -0.298 175.809 176.094 0.021 0.000 1.034 2072 V CA -0.841 61.521 62.300 0.102 0.000 0.865 2072 V CB 1.626 33.637 31.823 0.312 0.000 0.995 2072 V HN 1.014 nan 8.190 nan 0.000 0.424 2073 T N 1.267 115.823 114.554 0.004 0.000 2.924 2073 T HA 0.971 5.321 4.350 0.000 0.000 0.291 2073 T C -0.489 174.214 174.700 0.006 0.000 1.045 2073 T CA -0.471 61.635 62.100 0.010 0.000 1.015 2073 T CB 2.343 71.208 68.868 -0.006 0.000 1.103 2073 T HN 1.430 nan 8.240 nan 0.000 0.496 2074 A N 0.484 123.345 122.820 0.068 0.000 2.612 2074 A HA 0.909 5.229 4.320 0.000 0.000 0.293 2074 A C -1.062 176.606 177.584 0.140 0.000 1.075 2074 A CA -0.756 51.353 52.037 0.120 0.000 0.680 2074 A CB 1.185 20.371 19.000 0.309 0.000 1.279 2074 A HN 1.722 nan 8.150 nan 0.000 0.411 2075 A N 1.113 124.022 122.820 0.149 0.000 2.330 2075 A HA 0.773 5.093 4.320 0.000 0.000 0.313 2075 A C -0.909 176.741 177.584 0.110 0.000 1.124 2075 A CA -0.270 51.823 52.037 0.094 0.000 0.774 2075 A CB 0.408 19.435 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 -0.281 175.739 176.117 -0.163 0.000 1.010 2076 I CA -0.244 60.994 61.300 -0.103 0.000 1.098 2076 I CB 2.571 40.476 38.000 -0.160 0.000 1.266 2076 I HN 0.560 nan 8.210 nan 0.000 0.434 2077 T N 4.231 118.675 114.554 -0.184 0.000 2.797 2077 T HA 0.241 4.591 4.350 0.000 0.000 0.279 2077 T C -0.182 174.359 174.700 -0.265 0.000 0.991 2077 T CA -0.559 61.432 62.100 -0.181 0.000 0.979 2077 T CB 1.003 69.805 68.868 -0.110 0.000 0.943 2077 T HN 0.410 nan 8.240 nan 0.000 0.444 2078 N N 2.911 121.464 118.700 -0.245 0.000 2.500 2078 N HA 0.138 4.878 4.740 0.000 0.000 0.236 2078 N C 0.411 175.836 175.510 -0.142 0.000 1.022 2078 N CA -0.454 52.448 53.050 -0.247 0.000 0.935 2078 N CB 0.253 38.603 38.487 -0.228 0.000 1.147 2078 N HN 0.395 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 -0.160 175.315 175.510 -0.057 0.000 1.134 2079 N CA 0.084 53.083 53.050 -0.086 0.000 0.878 2079 N CB -0.150 38.284 38.487 -0.089 0.000 0.972 2079 N HN 0.647 nan 8.380 nan 0.000 0.456 2080 H N 0.460 119.462 119.070 -0.114 0.000 2.897 2080 H HA 0.159 4.715 4.556 0.000 0.000 0.347 2080 H C 1.286 176.575 175.328 -0.065 0.000 1.068 2080 H CA 0.324 56.321 56.048 -0.084 0.000 1.426 2080 H CB 1.028 30.739 29.762 -0.085 0.000 1.410 2080 H HN 0.102 nan 8.280 nan 0.000 0.597 2081 A N 2.754 125.390 122.820 -0.307 0.000 1.930 2081 A HA -0.139 4.181 4.320 0.000 0.000 0.217 2081 A C 1.978 179.581 177.584 0.031 0.000 1.175 2081 A CA 2.117 54.077 52.037 -0.128 0.000 0.627 2081 A CB -0.475 18.414 19.000 -0.185 0.000 0.815 2081 A HN 0.873 nan 8.150 nan 0.000 0.443 2082 T N -4.835 109.862 114.554 0.237 0.000 3.010 2082 T HA 0.194 4.544 4.350 0.000 0.000 0.253 2082 T C 0.295 175.077 174.700 0.136 0.000 0.939 2082 T CA -0.222 61.984 62.100 0.177 0.000 0.910 2082 T CB 0.116 69.060 68.868 0.128 0.000 1.226 2082 T HN 0.215 nan 8.240 nan 0.000 0.508 2083 E N 1.680 121.960 120.200 0.134 0.000 2.242 2083 E HA 0.731 5.081 4.350 0.000 0.000 0.275 2083 E C -0.278 176.239 176.600 -0.139 0.000 1.002 2083 E CA -0.462 55.847 56.400 -0.151 0.000 0.841 2083 E CB 1.953 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 1.608 124.367 122.820 -0.103 0.000 2.247 2084 A HA 0.687 5.007 4.320 0.000 0.000 0.313 2084 A C -0.115 177.420 177.584 -0.083 0.000 1.109 2084 A CA -0.544 51.444 52.037 -0.081 0.000 0.890 2084 A CB 0.762 19.736 19.000 -0.043 0.000 1.239 2084 A HN 0.399 nan 8.150 nan 0.000 0.506 2085 V N -4.016 115.866 119.914 -0.054 0.000 3.078 2085 V HA 0.943 5.063 4.120 0.000 0.000 0.311 2085 V C -0.238 175.943 176.094 0.145 0.000 1.138 2085 V CA -0.324 61.993 62.300 0.027 0.000 1.007 2085 V CB 1.109 32.945 31.823 0.022 0.000 1.045 2085 V HN 1.892 nan 8.190 nan 0.000 0.432 2086 A N 2.599 125.559 122.820 0.233 0.000 2.413 2086 A HA 0.861 5.181 4.320 0.000 0.000 0.307 2086 A C -0.583 177.126 177.584 0.208 0.000 1.087 2086 A CA -0.986 51.198 52.037 0.245 0.000 0.750 2086 A CB 1.492 20.553 19.000 0.103 0.000 1.296 2086 A HN 1.088 nan 8.150 nan 0.000 0.423 2087 L N 1.831 123.066 121.223 0.020 0.000 2.514 2087 L HA 0.164 4.504 4.340 0.000 0.000 0.280 2087 L C 1.505 178.279 176.870 -0.161 0.000 1.223 2087 L CA 0.070 54.719 54.840 -0.319 0.000 0.864 2087 L CB 0.556 42.463 42.059 -0.253 0.000 1.118 2087 L HN 1.005 nan 8.230 nan 0.000 0.494 2088 T N -1.947 112.487 114.554 -0.200 0.000 2.732 2088 T HA 0.078 4.428 4.350 0.000 0.000 0.287 2088 T C 0.750 175.375 174.700 -0.125 0.000 0.993 2088 T CA -0.757 61.245 62.100 -0.162 0.000 0.966 2088 T CB 0.749 69.489 68.868 -0.213 0.000 1.047 2088 T HN 0.506 nan 8.240 nan 0.000 0.527 2089 D N -0.265 120.035 120.400 -0.166 0.000 2.178 2089 D HA -0.004 4.636 4.640 0.000 0.000 0.201 2089 D C 1.537 178.002 176.300 0.274 0.000 0.980 2089 D CA 1.033 55.030 54.000 -0.005 0.000 0.842 2089 D CB -0.225 40.523 40.800 -0.086 0.000 0.948 2089 D HN 0.467 nan 8.370 nan 0.000 0.472 2090 F N 0.184 120.077 119.950 -0.095 0.000 2.473 2090 F HA 0.243 4.770 4.527 0.000 0.000 0.294 2090 F C 2.188 177.946 175.800 -0.071 0.000 1.103 2090 F CA 0.453 58.434 58.000 -0.032 0.000 1.442 2090 F CB -0.944 38.013 39.000 -0.071 0.000 1.097 2090 F HN -0.021 nan 8.300 nan 0.000 0.547 2091 G N 2.623 111.455 108.800 0.053 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 -1.122 173.759 174.900 -0.032 0.000 1.286 2091 G CA 0.554 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 0.022 nan 4.420 nan 0.000 0.225 2092 P C 1.653 178.959 177.300 0.011 0.000 1.148 2092 P CA 2.402 65.511 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 0.090 122.874 122.820 -0.061 0.000 2.121 2093 A HA -0.106 4.214 4.320 0.000 0.000 0.218 2093 A C 1.860 179.569 177.584 0.207 0.000 1.154 2093 A CA 1.058 53.048 52.037 -0.078 0.000 0.679 2093 A CB -1.015 17.820 19.000 -0.275 0.000 0.795 2093 A HN 0.128 nan 8.150 nan 0.000 0.458 2094 N N -0.329 118.496 118.700 0.208 0.000 2.314 2094 N HA 0.175 4.915 4.740 0.000 0.000 0.200 2094 N C 1.096 176.745 175.510 0.230 0.000 1.135 2094 N CA 0.090 53.286 53.050 0.243 0.000 0.835 2094 N CB 0.046 38.663 38.487 0.216 0.000 0.989 2094 N HN 0.479 nan 8.380 nan 0.000 0.478 2095 L N -0.281 121.111 121.223 0.283 0.000 2.141 2095 L HA -0.019 4.321 4.340 0.000 0.000 0.209 2095 L C 0.351 177.399 176.870 0.296 0.000 1.094 2095 L CA 0.827 55.863 54.840 0.327 0.000 0.763 2095 L CB 0.174 42.448 42.059 0.359 0.000 0.908 2095 L HN -0.112 nan 8.230 nan 0.000 0.437 2096 V N 0.049 120.060 119.914 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 -0.516 61.639 62.300 -0.241 0.000 0.857 2096 V CB 1.654 33.020 31.823 -0.762 0.000 0.985 2096 V HN 0.189 nan 8.190 nan 0.000 0.443 2097 Q N 3.513 123.223 119.800 -0.149 0.000 2.089 2097 Q HA 0.207 4.547 4.340 0.000 0.000 0.195 2097 Q C 0.551 176.451 176.000 -0.166 0.000 0.963 2097 Q CA 1.048 56.807 55.803 -0.072 0.000 0.834 2097 Q CB 0.417 29.149 28.738 -0.009 0.000 0.906 2097 Q HN 0.588 nan 8.270 nan 0.000 0.452 2098 R N -0.557 119.797 120.500 -0.243 0.000 2.668 2098 R HA 0.583 4.923 4.340 0.000 0.000 0.272 2098 R C -1.429 174.676 176.300 -0.325 0.000 1.019 2098 R CA -0.438 55.508 56.100 -0.256 0.000 0.894 2098 R CB 2.498 32.700 30.300 -0.162 0.000 1.228 2098 R HN -0.158 nan 8.270 nan 0.000 0.460 2099 V N 3.620 123.346 119.914 -0.313 0.000 2.588 2099 V HA 0.598 4.718 4.120 0.000 0.000 0.304 2099 V C -0.864 175.091 176.094 -0.231 0.000 1.042 2099 V CA -0.776 61.333 62.300 -0.317 0.000 0.877 2099 V CB 1.945 33.546 31.823 -0.370 0.000 0.996 2099 V HN 0.538 nan 8.190 nan 0.000 0.425 2100 I N 4.654 125.106 120.570 -0.196 0.000 2.607 2100 I HA 0.485 4.655 4.170 0.000 0.000 0.290 2100 I C -1.139 174.874 176.117 -0.173 0.000 1.129 2100 I CA -0.510 60.679 61.300 -0.184 0.000 1.042 2100 I CB 2.003 39.928 38.000 -0.126 0.000 1.242 2100 I HN 0.648 nan 8.210 nan 0.000 0.421 2101 Y N 6.007 126.085 120.300 -0.370 0.000 2.429 2101 Y HA 0.719 5.269 4.550 0.000 0.000 0.342 2101 Y C -1.732 173.903 175.900 -0.443 0.000 1.004 2101 Y CA -0.876 57.033 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 4.131 123.867 120.300 -0.940 0.000 2.391 2102 Y HA 0.295 4.845 4.550 0.000 0.000 0.341 2102 Y C -0.266 175.050 175.900 -0.973 0.000 0.965 2102 Y CA -1.133 56.594 58.100 -0.621 0.000 1.067 2102 Y CB 1.304 39.569 38.460 -0.326 0.000 1.199 2102 Y HN 0.720 nan 8.280 nan 0.000 0.450 2103 D N 2.462 122.682 120.400 -0.299 0.000 2.433 2103 D HA 0.241 4.881 4.640 0.000 0.000 0.255 2103 D C -2.191 174.096 176.300 -0.022 0.000 1.226 2103 D CA -2.194 51.738 54.000 -0.113 0.000 1.015 2103 D CB 0.310 41.219 40.800 0.182 0.000 1.091 2103 D HN 0.163 nan 8.370 nan 0.000 0.527 2104 P HA -0.084 nan 4.420 nan 0.000 0.219 2104 P C 0.122 177.441 177.300 0.031 0.000 1.146 2104 P CA 1.106 64.221 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 -1.891 118.546 120.400 0.061 0.000 2.328 2105 D HA 0.018 4.658 4.640 0.000 0.000 0.226 2105 D C 0.332 176.668 176.300 0.061 0.000 1.066 2105 D CA 0.190 54.226 54.000 0.059 0.000 0.861 2105 D CB -1.033 39.813 40.800 0.077 0.000 0.912 2105 D HN 0.210 nan 8.370 nan 0.000 0.521 2106 N N 0.367 119.103 118.700 0.060 0.000 2.782 2106 N HA -0.245 4.495 4.740 0.000 0.000 0.251 2106 N C -0.225 175.403 175.510 0.197 0.000 1.101 2106 N CA 0.075 53.170 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 1.611 121.529 119.800 0.197 0.000 2.267 2107 Q HA 0.268 4.608 4.340 0.000 0.000 0.255 2107 Q C -0.240 175.892 176.000 0.220 0.000 0.923 2107 Q CA -0.281 55.638 55.803 0.194 0.000 0.925 2107 Q CB 0.903 29.724 28.738 0.138 0.000 1.195 2107 Q HN 0.260 nan 8.270 nan 0.000 0.417 2108 R N 3.725 124.278 120.500 0.089 0.000 2.438 2108 R HA 0.193 4.533 4.340 0.000 0.000 0.287 2108 R C -0.108 176.166 176.300 -0.044 0.000 1.077 2108 R CA 0.062 56.041 56.100 -0.201 0.000 1.034 2108 R CB 0.416 30.558 30.300 -0.263 0.000 0.993 2108 R HN 0.876 nan 8.270 nan 0.000 0.459 2109 H N 1.029 120.015 119.070 -0.140 0.000 4.873 2109 H HA 0.149 4.705 4.556 0.000 0.000 0.150 2109 H C 0.036 175.261 175.328 -0.172 0.000 1.395 2109 H CA -0.461 55.544 56.048 -0.071 0.000 0.838 2109 H CB 0.135 29.941 29.762 0.073 0.000 1.471 2109 H HN 0.443 nan 8.280 nan 0.000 0.374 2110 T N 1.793 116.324 114.554 -0.038 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 0.608 62.607 62.100 -0.167 0.000 1.145 2110 T CB 0.241 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 -0.134 0.000 2.649 2111 E HA 0.335 4.685 4.350 0.000 0.000 0.310 2111 E C -0.998 175.547 176.600 -0.092 0.000 1.036 2111 E CA -0.329 55.999 56.400 -0.120 0.000 0.772 2111 E CB 1.100 30.749 29.700 -0.085 0.000 1.513 2111 E HN 0.664 nan 8.360 nan 0.000 0.384 2112 T N 0.472 114.940 114.554 -0.143 0.000 2.671 2112 T HA 0.408 4.758 4.350 0.000 0.000 0.300 2112 T C -0.895 173.648 174.700 -0.263 0.000 1.238 2112 T CA -0.172 61.836 62.100 -0.153 0.000 1.020 2112 T CB 1.213 70.053 68.868 -0.047 0.000 1.503 2112 T HN 0.357 nan 8.240 nan 0.000 0.497 2113 S N -0.067 115.392 115.700 -0.402 0.000 2.610 2113 S HA 0.495 4.965 4.470 0.000 0.000 0.273 2113 S C 1.602 175.892 174.600 -0.517 0.000 1.274 2113 S CA 0.013 57.891 58.200 -0.537 0.000 1.023 2113 S CB 0.932 63.519 63.200 -1.022 0.000 0.962 2113 S HN 1.062 nan 8.310 nan 0.000 0.523 2114 G N 1.299 109.871 108.800 -0.381 0.000 2.418 2114 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 2114 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 2114 G C 1.316 176.177 174.900 -0.065 0.000 1.158 2114 G CA 0.775 45.706 45.100 -0.282 0.000 0.771 2114 G HN 0.960 nan 8.290 nan 0.000 0.545 2115 W N 0.212 121.460 121.300 -0.088 0.000 2.363 2115 W HA -0.055 4.605 4.660 0.000 0.000 0.296 2115 W C 1.795 178.001 176.519 -0.522 0.000 1.212 2115 W CA 0.877 57.977 57.345 -0.409 0.000 1.260 2115 W CB -1.086 28.101 29.460 -0.455 0.000 1.131 2115 W HN 0.425 nan 8.180 nan 0.000 0.530 2116 H N 1.173 119.826 119.070 -0.695 0.000 2.326 2116 H HA -0.177 4.379 4.556 0.000 0.000 0.301 2116 H C 2.366 177.568 175.328 -0.210 0.000 1.081 2116 H CA 1.764 57.553 56.048 -0.431 0.000 1.334 2116 H CB -0.099 29.219 29.762 -0.741 0.000 1.385 2116 H HN 0.104 nan 8.280 nan 0.000 0.504 2117 L N 1.036 122.016 121.223 -0.404 0.000 2.042 2117 L HA -0.208 4.132 4.340 0.000 0.000 0.210 2117 L C 2.541 179.306 176.870 -0.175 0.000 1.076 2117 L CA 2.430 57.071 54.840 -0.332 0.000 0.749 2117 L CB -1.156 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 -1.064 117.920 119.070 -0.143 0.000 2.353 2118 H HA -0.184 4.372 4.556 0.000 0.000 0.300 2118 H C 1.930 177.232 175.328 -0.042 0.000 1.090 2118 H CA 2.225 58.187 56.048 -0.144 0.000 1.327 2118 H CB -0.547 29.107 29.762 -0.182 0.000 1.383 2118 H HN 0.469 nan 8.280 nan 0.000 0.508 2119 F N -0.778 119.078 119.950 -0.157 0.000 2.234 2119 F HA -0.154 4.373 4.527 0.000 0.000 0.299 2119 F C 2.506 178.253 175.800 -0.089 0.000 1.087 2119 F CA 0.535 58.493 58.000 -0.070 0.000 1.340 2119 F CB -0.028 38.965 39.000 -0.011 0.000 1.031 2119 F HN 0.083 nan 8.300 nan 0.000 0.500 2120 V N 0.246 120.159 119.914 -0.001 0.000 2.453 2120 V HA -0.282 3.838 4.120 0.000 0.000 0.247 2120 V C 1.637 177.671 176.094 -0.101 0.000 1.048 2120 V CA 1.947 64.225 62.300 -0.036 0.000 1.049 2120 V CB -0.781 30.953 31.823 -0.149 0.000 0.672 2120 V HN 0.377 nan 8.190 nan 0.000 0.457 2121 N N -0.265 118.279 118.700 -0.260 0.000 2.104 2121 N HA -0.184 4.556 4.740 0.000 0.000 0.190 2121 N C 1.838 177.200 175.510 -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 37.551 38.487 -1.215 0.000 1.008 2121 N HN 0.411 nan 8.380 nan 0.000 0.424 2122 T N 0.601 115.044 114.554 -0.185 0.000 2.708 2122 T HA -0.101 4.249 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 1.217 63.284 62.100 -0.055 0.000 1.146 2122 T CB -0.341 68.470 68.868 -0.095 0.000 0.865 2122 T HN 0.332 nan 8.240 nan 0.000 0.435 2123 A N 1.648 124.444 122.820 -0.040 0.000 1.908 2123 A HA -0.158 4.162 4.320 0.000 0.000 0.218 2123 A C 2.206 179.781 177.584 -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 -0.150 0.000 0.818 2123 A HN 0.477 nan 8.150 nan 0.000 0.445 2124 K N -0.958 119.439 120.400 -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 1.138 57.416 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 -0.043 119.762 119.800 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 1.214 57.028 55.803 0.018 0.000 0.863 2125 Q CB 0.378 29.178 28.738 0.104 0.000 0.944 2125 Q HN 0.389 nan 8.270 nan 0.000 0.465 2126 G N -0.520 108.263 108.800 -0.029 0.000 2.141 2126 G HA2 -0.143 3.817 3.960 0.000 0.000 0.231 2126 G HA3 -0.143 3.817 3.960 0.000 0.000 0.231 2126 G C -0.059 174.799 174.900 -0.069 0.000 0.984 2126 G CA 0.165 45.238 45.100 -0.044 0.000 0.660 2126 G HN 0.833 nan 8.290 nan 0.000 0.525 2127 A N -1.322 121.454 122.820 -0.074 0.000 2.567 2127 A HA 0.785 5.105 4.320 0.000 0.000 0.291 2127 A C -3.151 174.396 177.584 -0.061 0.000 1.048 2127 A CA -0.691 51.294 52.037 -0.087 0.000 0.661 2127 A CB 0.620 19.580 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 -0.360 177.001 177.300 0.102 0.000 1.172 2128 P CA 0.537 63.647 63.100 0.017 0.000 0.762 2128 P CB -0.136 31.577 31.700 0.021 0.000 0.764 2129 F N 5.804 125.749 119.950 -0.008 0.000 2.580 2129 F HA -0.059 4.468 4.527 0.000 0.000 0.398 2129 F C 1.143 176.961 175.800 0.031 0.000 1.023 2129 F CA 0.347 58.354 58.000 0.012 0.000 1.188 2129 F CB -0.462 38.566 39.000 0.047 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 0.613 177.338 176.870 -0.241 0.000 1.195 2130 L CA 0.553 55.070 54.840 -0.538 0.000 0.946 2130 L CB -2.381 39.205 42.059 -0.789 0.000 1.891 2130 L HN 0.720 nan 8.230 nan 0.000 0.963 2131 S N -1.867 113.755 115.700 -0.131 0.000 2.632 2131 S HA 0.533 5.003 4.470 0.000 0.000 0.267 2131 S C 0.300 174.853 174.600 -0.078 0.000 1.276 2131 S CA -0.060 58.100 58.200 -0.067 0.000 0.998 2131 S CB 2.197 65.382 63.200 -0.024 0.000 0.953 2131 S HN 0.270 nan 8.310 nan 0.000 0.547 2132 S N 1.874 117.544 115.700 -0.050 0.000 2.438 2132 S HA 0.455 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 -1.015 57.159 58.200 -0.043 0.000 1.107 2132 S CB -0.387 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 4.305 123.878 119.600 -0.046 0.000 2.242 2133 M HA 0.563 5.043 4.480 0.000 0.000 0.344 2133 M C -0.905 175.377 176.300 -0.030 0.000 1.140 2133 M CA -0.444 54.831 55.300 -0.042 0.000 1.160 2133 M CB 0.609 33.174 32.600 -0.058 0.000 1.491 2133 M HN 0.248 nan 8.290 nan 0.000 0.459 2134 V N 2.856 122.757 119.914 -0.022 0.000 2.439 2134 V HA 0.584 4.704 4.120 0.000 0.000 0.282 2134 V C 0.497 176.581 176.094 -0.017 0.000 1.039 2134 V CA -0.137 62.157 62.300 -0.011 0.000 0.913 2134 V CB 1.125 32.945 31.823 -0.004 0.000 0.983 2134 V HN 1.110 nan 8.190 nan 0.000 0.460 2135 T N -0.222 114.326 114.554 -0.010 0.000 2.804 2135 T HA 0.352 4.702 4.350 0.000 0.000 0.290 2135 T C 0.267 174.969 174.700 0.004 0.000 1.099 2135 T CA -0.247 61.844 62.100 -0.015 0.000 1.011 2135 T CB 1.892 70.737 68.868 -0.040 0.000 1.291 2135 T HN 0.621 nan 8.240 nan 0.000 0.523 2136 D N -0.161 120.239 120.400 0.002 0.000 2.328 2136 D HA 0.079 4.719 4.640 0.000 0.000 0.226 2136 D C 0.639 176.954 176.300 0.026 0.000 1.066 2136 D CA -0.194 53.813 54.000 0.011 0.000 0.861 2136 D CB -0.347 40.456 40.800 0.005 0.000 0.912 2136 D HN 0.384 nan 8.370 nan 0.000 0.521 2137 S N 1.815 117.539 115.700 0.041 0.000 2.525 2137 S HA 0.089 4.559 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 -0.928 57.321 58.200 0.082 0.000 1.072 2137 S CB 1.012 64.306 63.200 0.156 0.000 0.867 2137 S HN 0.099 nan 8.310 nan 0.000 0.492 2138 P HA 0.070 nan 4.420 nan 0.000 0.225 2138 P C 0.139 177.456 177.300 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 31.684 31.700 0.025 0.000 0.802 2139 I N 1.111 121.712 120.570 0.052 0.000 2.648 2139 I HA -0.023 4.147 4.170 0.000 0.000 0.284 2139 I C 1.361 177.426 176.117 -0.087 0.000 1.153 2139 I CA 0.292 61.565 61.300 -0.044 0.000 1.426 2139 I CB 0.192 38.161 38.000 -0.052 0.000 1.381 2139 I HN -0.271 nan 8.210 nan 0.000 0.571 2140 K N 6.509 126.801 120.400 -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 0.005 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 0.351 120.639 120.300 -0.020 0.000 2.281 2141 Y HA 0.318 4.868 4.550 0.000 0.000 0.337 2141 Y C 1.542 177.429 175.900 -0.023 0.000 1.304 2141 Y CA 0.541 58.626 58.100 -0.025 0.000 1.465 2141 Y CB 0.938 39.381 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 0.156 0.000 2.302 2142 G HA2 -0.053 3.907 3.960 0.000 0.000 0.264 2142 G HA3 -0.053 3.907 3.960 0.000 0.000 0.264 2142 G C -1.775 173.148 174.900 0.039 0.000 1.335 2142 G CA -0.828 44.317 45.100 0.074 0.000 0.982 2142 G HN 0.531 nan 8.290 nan 0.000 0.473 2143 D N 0.575 120.988 120.400 0.023 0.000 2.517 2143 D HA 0.453 5.093 4.640 0.000 0.000 0.220 2143 D C 1.385 177.692 176.300 0.011 0.000 1.158 2143 D CA 0.087 54.094 54.000 0.012 0.000 0.992 2143 D CB 0.712 41.520 40.800 0.012 0.000 1.058 2143 D HN 0.251 nan 8.370 nan 0.000 0.516 2144 V N 2.841 122.760 119.914 0.008 0.000 2.685 2144 V HA -0.028 4.092 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 0.789 63.090 62.300 0.002 0.000 1.076 2144 V CB -0.127 31.693 31.823 -0.005 0.000 0.725 2144 V HN 0.558 nan 8.190 nan 0.000 0.467 2145 M N -0.463 119.138 119.600 0.001 0.000 2.371 2145 M HA 0.293 4.773 4.480 0.000 0.000 0.246 2145 M C 0.361 176.674 176.300 0.022 0.000 1.103 2145 M CA 0.070 55.374 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 1.192 119.904 118.700 0.020 0.000 2.699 2146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 2146 N C 1.029 176.576 175.510 0.063 0.000 0.993 2146 N CA 0.275 53.347 53.050 0.037 0.000 0.759 2146 N CB -1.229 37.285 38.487 0.045 0.000 0.906 2146 N HN 0.155 nan 8.380 nan 0.000 0.541 2147 V N -0.224 119.710 119.914 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 1.562 63.895 62.300 0.055 0.000 1.027 2147 V CB 0.015 31.752 31.823 -0.143 0.000 0.646 2147 V HN 0.409 nan 8.190 nan 0.000 0.447 2148 I N 0.489 121.109 120.570 0.084 0.000 2.410 2148 I HA 0.486 4.656 4.170 0.000 0.000 0.286 2148 I C -1.131 175.023 176.117 0.061 0.000 1.009 2148 I CA -0.300 61.059 61.300 0.098 0.000 1.111 2148 I CB 1.729 39.769 38.000 0.067 0.000 1.262 2148 I HN 0.230 nan 8.210 nan 0.000 0.443 2149 D N 5.485 125.926 120.400 0.068 0.000 2.736 2149 D HA 0.801 5.441 4.640 0.000 0.000 0.223 2149 D C -1.590 174.753 176.300 0.073 0.000 1.231 2149 D CA -0.320 53.717 54.000 0.062 0.000 0.818 2149 D CB 2.322 43.161 40.800 0.064 0.000 1.587 2149 D HN 0.675 nan 8.370 nan 0.000 0.463 2150 A N 2.572 125.438 122.820 0.077 0.000 2.532 2150 A HA 0.624 4.944 4.320 0.000 0.000 0.296 2150 A C -2.822 174.841 177.584 0.131 0.000 1.058 2150 A CA -1.151 50.955 52.037 0.116 0.000 0.729 2150 A CB 1.399 20.450 19.000 0.086 0.000 1.285 2150 A HN 0.433 nan 8.150 nan 0.000 0.396 2151 P HA 0.313 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 0.445 63.640 63.100 0.157 0.000 0.768 2151 P CB 1.324 33.098 31.700 0.123 0.000 0.842 2152 A N 3.506 126.408 122.820 0.136 0.000 1.978 2152 A HA -0.027 4.293 4.320 0.000 0.000 0.220 2152 A C 1.100 178.800 177.584 0.192 0.000 1.170 2152 A CA 1.869 53.980 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 -3.720 110.941 114.554 0.179 0.000 2.883 2153 T HA 0.678 5.028 4.350 0.000 0.000 0.301 2153 T C -0.862 173.865 174.700 0.045 0.000 1.158 2153 T CA -0.626 61.564 62.100 0.150 0.000 1.007 2153 T CB 1.513 70.422 68.868 0.069 0.000 1.186 2153 T HN 0.177 nan 8.240 nan 0.000 0.499 2154 I N 1.700 122.222 120.570 -0.080 0.000 2.439 2154 I HA 0.577 4.747 4.170 0.000 0.000 0.283 2154 I C 0.663 176.702 176.117 -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 39.219 38.000 -0.410 0.000 1.238 2154 I HN 1.030 nan 8.210 nan 0.000 0.445 2155 A N 4.661 127.432 122.820 -0.082 0.000 2.327 2155 A HA 0.700 5.020 4.320 0.000 0.000 0.255 2155 A C 0.626 178.171 177.584 -0.066 0.000 1.099 2155 A CA -0.245 51.757 52.037 -0.059 0.000 0.801 2155 A CB 0.393 19.372 19.000 -0.035 0.000 1.062 2155 A HN 0.836 nan 8.150 nan 0.000 0.496 2156 A N -0.359 122.438 122.820 -0.037 0.000 2.548 2156 A HA 0.466 4.786 4.320 0.000 0.000 0.247 2156 A C 1.600 179.166 177.584 -0.030 0.000 1.067 2156 A CA 0.860 52.888 52.037 -0.014 0.000 0.757 2156 A CB -1.093 17.924 19.000 0.029 0.000 0.996 2156 A HN 2.736 nan 8.150 nan 0.000 0.504 2157 G N 0.901 109.675 108.800 -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 0.581 175.446 174.900 -0.058 0.000 0.982 2157 G CA 0.592 45.662 45.100 -0.049 0.000 0.632 2157 G HN 2.159 nan 8.290 nan 0.000 0.529 2158 A N -0.490 122.287 122.820 -0.071 0.000 2.264 2158 A HA 0.845 5.165 4.320 0.000 0.000 0.304 2158 A C 0.277 177.804 177.584 -0.096 0.000 1.100 2158 A CA 0.705 52.698 52.037 -0.072 0.000 0.839 2158 A CB 1.026 19.985 19.000 -0.067 0.000 1.121 2158 A HN 0.716 nan 8.150 nan 0.000 0.496 2159 T N 0.514 115.022 114.554 -0.076 0.000 2.812 2159 T HA 0.618 4.968 4.350 0.000 0.000 0.282 2159 T C 0.168 174.830 174.700 -0.063 0.000 0.990 2159 T CA 0.055 62.108 62.100 -0.079 0.000 0.960 2159 T CB 1.555 70.393 68.868 -0.049 0.000 0.948 2159 T HN 1.043 nan 8.240 nan 0.000 0.438 2160 G N 1.849 110.603 108.800 -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 -0.949 173.965 174.900 0.023 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 0.963 121.194 120.200 0.052 0.000 2.171 2161 E HA 0.445 4.795 4.350 0.000 0.000 0.271 2161 E C -0.385 176.274 176.600 0.099 0.000 0.916 2161 E CA -0.399 56.042 56.400 0.068 0.000 0.774 2161 E CB 2.374 32.103 29.700 0.048 0.000 1.128 2161 E HN 0.312 nan 8.360 nan 0.000 0.403 2162 L N 1.015 122.309 121.223 0.118 0.000 2.341 2162 L HA 0.666 5.006 4.340 0.000 0.000 0.267 2162 L C -0.061 176.869 176.870 0.099 0.000 1.009 2162 L CA -0.886 54.031 54.840 0.128 0.000 0.819 2162 L CB 2.061 44.228 42.059 0.180 0.000 1.323 2162 L HN 0.315 nan 8.230 nan 0.000 0.425 2163 T N 2.207 116.815 114.554 0.089 0.000 2.921 2163 T HA 0.671 5.021 4.350 0.000 0.000 0.297 2163 T C -0.831 173.909 174.700 0.066 0.000 1.013 2163 T CA -0.425 61.717 62.100 0.071 0.000 0.990 2163 T CB 2.232 71.164 68.868 0.106 0.000 1.023 2163 T HN 0.495 nan 8.240 nan 0.000 0.447 2164 M N 3.044 122.647 119.600 0.005 0.000 2.484 2164 M HA 0.689 5.169 4.480 0.000 0.000 0.289 2164 M C -2.388 173.844 176.300 -0.112 0.000 1.206 2164 M CA -0.735 54.544 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 -0.077 0.000 2.477 2165 Y HA 0.694 5.244 4.550 0.000 0.000 0.347 2165 Y C -1.573 174.359 175.900 0.053 0.000 0.981 2165 Y CA -0.351 57.813 58.100 0.108 0.000 1.033 2165 Y CB 2.082 40.661 38.460 0.199 0.000 1.245 2165 Y HN 0.619 nan 8.280 nan 0.000 0.455 2166 Y N 1.333 121.919 120.300 0.477 0.000 2.477 2166 Y HA 0.268 4.818 4.550 0.000 0.000 0.347 2166 Y C -0.942 175.181 175.900 0.373 0.000 0.981 2166 Y CA -1.505 56.780 58.100 0.308 0.000 1.033 2166 Y CB 1.960 40.479 38.460 0.098 0.000 1.245 2166 Y HN 0.645 nan 8.280 nan 0.000 0.455 2167 W N 5.184 126.582 121.300 0.164 0.000 2.329 2167 W HA 0.653 5.313 4.660 0.000 0.000 0.312 2167 W C -1.838 174.708 176.519 0.044 0.000 1.054 2167 W CA -1.002 56.426 57.345 0.138 0.000 1.245 2167 W CB 1.401 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 9.450 129.067 119.914 -0.495 0.000 2.334 2168 V HA 0.183 4.303 4.120 0.000 0.000 0.267 2168 V C -1.594 174.007 176.094 -0.821 0.000 1.040 2168 V CA -1.580 60.440 62.300 -0.467 0.000 0.866 2168 V CB 0.913 32.583 31.823 -0.256 0.000 1.019 2168 V HN 0.365 nan 8.190 nan 0.000 0.468 2169 P HA 0.373 nan 4.420 nan 0.000 0.282 2169 P C 0.069 177.244 177.300 -0.207 0.000 1.249 2169 P CA -0.278 62.634 63.100 -0.313 0.000 0.806 2169 P CB 2.447 34.265 31.700 0.197 0.000 0.984 2170 L N 1.469 122.626 121.223 -0.111 0.000 2.675 2170 L HA 0.317 4.657 4.340 0.000 0.000 0.178 2170 L C 1.385 178.392 176.870 0.228 0.000 1.135 2170 L CA 0.121 54.919 54.840 -0.070 0.000 0.855 2170 L CB -0.831 41.068 42.059 -0.267 0.000 1.235 2170 L HN 0.325 nan 8.230 nan 0.000 0.499 2171 A N -0.935 121.998 122.820 0.188 0.000 2.407 2171 A HA -0.010 4.310 4.320 0.000 0.000 0.248 2171 A C 0.543 178.318 177.584 0.319 0.000 1.082 2171 A CA -0.002 52.172 52.037 0.228 0.000 0.785 2171 A CB -0.012 19.079 19.000 0.153 0.000 1.020 2171 A HN 0.360 nan 8.150 nan 0.000 0.489 2172 Y N 2.217 122.539 120.300 0.036 0.000 2.181 2172 Y HA -0.029 4.521 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 1.737 59.686 58.100 -0.251 0.000 1.164 2172 Y CB 0.016 38.333 38.460 -0.238 0.000 0.982 2172 Y HN 0.875 nan 8.280 nan 0.000 0.515 2173 S N -2.470 113.228 115.700 -0.004 0.000 2.727 2173 S HA 0.264 4.734 4.470 0.000 0.000 0.278 2173 S C 0.307 174.909 174.600 0.004 0.000 1.186 2173 S CA -0.647 57.505 58.200 -0.080 0.000 0.836 2173 S CB 1.095 64.222 63.200 -0.123 0.000 1.186 2173 S HN 0.077 nan 8.310 nan 0.000 0.499 2174 E N 1.110 121.283 120.200 -0.045 0.000 2.274 2174 E HA -0.005 4.345 4.350 0.000 0.000 0.194 2174 E C 1.683 178.276 176.600 -0.011 0.000 0.996 2174 E CA 1.825 58.202 56.400 -0.037 0.000 0.840 2174 E CB -0.324 29.325 29.700 -0.085 0.000 0.772 2174 E HN 0.849 nan 8.360 nan 0.000 0.491 2175 T N -2.473 112.083 114.554 0.003 0.000 2.985 2175 T HA 0.058 4.408 4.350 0.000 0.000 0.254 2175 T C 0.421 175.142 174.700 0.034 0.000 1.021 2175 T CA -0.313 61.795 62.100 0.013 0.000 0.957 2175 T CB 0.433 69.305 68.868 0.008 0.000 1.047 2175 T HN -0.209 nan 8.240 nan 0.000 0.511 2176 D N 1.225 121.668 120.400 0.071 0.000 2.461 2176 D HA 0.307 4.947 4.640 0.000 0.000 0.240 2176 D C 0.677 177.025 176.300 0.080 0.000 1.094 2176 D CA -0.679 53.373 54.000 0.087 0.000 0.868 2176 D CB 0.941 41.856 40.800 0.192 0.000 1.062 2176 D HN 0.213 nan 8.370 nan 0.000 0.530 2177 L N 2.433 123.674 121.223 0.030 0.000 2.627 2177 L HA 0.070 4.410 4.340 0.000 0.000 0.233 2177 L C 0.780 177.653 176.870 0.004 0.000 1.144 2177 L CA 0.217 55.074 54.840 0.029 0.000 0.892 2177 L CB -0.410 41.656 42.059 0.012 0.000 1.039 2177 L HN 0.257 nan 8.230 nan 0.000 0.442 2178 T N 0.786 115.306 114.554 -0.057 0.000 2.871 2178 T HA 0.226 4.576 4.350 0.000 0.000 0.296 2178 T C 1.247 175.928 174.700 -0.032 0.000 0.998 2178 T CA 1.084 63.068 62.100 -0.193 0.000 1.162 2178 T CB 0.869 69.396 68.868 -0.570 0.000 0.947 2178 T HN 0.638 nan 8.240 nan 0.000 0.536 2179 G N 2.127 110.939 108.800 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 0.390 175.403 174.900 0.187 0.000 0.997 2179 G CA -0.020 45.200 45.100 0.200 0.000 0.623 2179 G HN 1.161 nan 8.290 nan 0.000 0.514 2180 A N -0.405 122.481 122.820 0.109 0.000 2.429 2180 A HA 0.612 4.932 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 0.918 52.994 52.037 0.065 0.000 0.784 2180 A CB 0.783 19.809 19.000 0.044 0.000 1.038 2180 A HN 1.231 nan 8.150 nan 0.000 0.501 2181 V N 1.896 121.830 119.914 0.032 0.000 2.487 2181 V HA 0.301 4.421 4.120 0.000 0.000 0.298 2181 V C -0.555 175.567 176.094 0.046 0.000 1.028 2181 V CA -0.514 61.822 62.300 0.060 0.000 0.860 2181 V CB 1.426 33.282 31.823 0.055 0.000 0.991 2181 V HN 0.781 nan 8.190 nan 0.000 0.427 2182 L N 5.450 126.705 121.223 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 0.044 0.000 1.079 2182 L CA 0.179 55.039 54.840 0.034 0.000 0.830 2182 L CB 0.683 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 0.027 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 -0.582 18.436 19.000 0.030 0.000 1.133 2183 A HN 0.805 nan 8.150 nan 0.000 0.491 2184 N N 0.484 119.203 118.700 0.032 0.000 2.193 2184 N HA 0.007 4.747 4.740 0.000 0.000 0.210 2184 N C -0.342 175.194 175.510 0.043 0.000 1.215 2184 N CA 0.135 53.211 53.050 0.042 0.000 0.901 2184 N CB -0.008 38.527 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 0.185 4.305 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 -0.816 61.503 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 0.073 nan 8.190 nan 0.000 0.477 2186 P HA 0.405 nan 4.420 nan 0.000 0.271 2186 P C 0.589 177.894 177.300 0.009 0.000 1.220 2186 P CA 1.190 64.298 63.100 0.013 0.000 0.768 2186 P CB 0.713 32.422 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 -0.195 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 1.495 57.297 55.803 -0.001 0.000 1.346 2187 Q CB -2.876 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 0.972 116.672 115.700 -0.000 0.000 2.516 2188 S HA 0.599 5.069 4.470 0.000 0.000 0.268 2188 S C 0.080 174.677 174.600 -0.005 0.000 1.251 2188 S CA 0.059 58.256 58.200 -0.004 0.000 1.153 2188 S CB 0.146 63.349 63.200 0.006 0.000 1.009 2188 S HN 0.958 nan 8.310 nan 0.000 0.479 2189 K N 1.517 121.906 120.400 -0.018 0.000 2.154 2189 K HA 0.514 4.834 4.320 0.000 0.000 0.264 2189 K C -0.171 176.405 176.600 -0.039 0.000 1.008 2189 K CA -0.602 55.673 56.287 -0.020 0.000 0.937 2189 K CB 0.708 33.192 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 -0.644 175.277 176.000 -0.131 0.000 0.999 2190 Q CA -0.833 54.915 55.803 -0.092 0.000 0.959 2190 Q CB 1.102 29.868 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 -2.195 173.976 176.300 -0.216 0.000 1.074 2191 R CA -0.645 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 4.182 125.291 121.223 -0.190 0.000 2.318 2192 L HA 0.486 4.826 4.340 0.000 0.000 0.277 2192 L C -0.997 175.761 176.870 -0.186 0.000 1.008 2192 L CA -0.196 54.506 54.840 -0.229 0.000 0.846 2192 L CB 1.222 43.001 42.059 -0.467 0.000 1.220 2192 L HN 0.591 nan 8.230 nan 0.000 0.423 2193 K N 5.433 125.749 120.400 -0.141 0.000 2.183 2193 K HA 0.621 4.941 4.320 0.000 0.000 0.274 2193 K C -1.520 174.945 176.600 -0.225 0.000 1.009 2193 K CA -0.499 55.708 56.287 -0.132 0.000 0.888 2193 K CB 0.741 33.208 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 -0.584 176.049 176.870 -0.394 0.000 0.996 2194 L CA -0.602 53.950 54.840 -0.479 0.000 0.825 2194 L CB 1.919 43.535 42.059 -0.737 0.000 1.243 2194 L HN 0.618 nan 8.230 nan 0.000 0.412 2195 E N 3.686 123.644 120.200 -0.404 0.000 2.073 2195 E HA 0.371 4.721 4.350 0.000 0.000 0.269 2195 E C -1.026 175.417 176.600 -0.262 0.000 0.917 2195 E CA -0.445 55.830 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 1.301 121.255 119.950 0.006 0.000 2.375 2196 F HA 0.361 4.888 4.527 0.000 0.000 0.313 2196 F C 1.176 177.001 175.800 0.041 0.000 1.176 2196 F CA -0.639 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 1.533 124.507 122.820 0.258 0.000 2.386 2197 A HA 0.447 4.767 4.320 0.000 0.000 0.246 2197 A C -0.311 177.338 177.584 0.108 0.000 1.089 2197 A CA -0.151 51.990 52.037 0.172 0.000 0.790 2197 A CB -0.079 19.060 19.000 0.230 0.000 1.042 2197 A HN 0.894 nan 8.150 nan 0.000 0.497 2198 N N -1.059 117.748 118.700 0.179 0.000 3.316 2198 N HA 0.218 4.958 4.740 0.000 0.000 0.300 2198 N C -0.200 175.538 175.510 0.381 0.000 1.567 2198 N CA -0.733 52.449 53.050 0.220 0.000 0.821 2198 N CB 0.259 38.855 38.487 0.181 0.000 1.748 2198 N HN 0.295 nan 8.380 nan 0.000 0.603 2199 N N -0.534 118.414 118.700 0.414 0.000 2.520 2199 N HA -0.030 4.710 4.740 0.000 0.000 0.185 2199 N C -0.059 175.634 175.510 0.304 0.000 1.068 2199 N CA 0.667 53.987 53.050 0.449 0.000 0.911 2199 N CB -0.524 38.216 38.487 0.421 0.000 0.961 2199 N HN 0.564 nan 8.380 nan 0.000 0.446 2200 N N -0.859 117.961 118.700 0.200 0.000 2.356 2200 N HA -0.021 4.719 4.740 0.000 0.000 0.178 2200 N C 1.463 177.034 175.510 0.102 0.000 1.075 2200 N CA 0.738 53.876 53.050 0.148 0.000 0.889 2200 N CB 0.415 38.975 38.487 0.121 0.000 0.999 2200 N HN 0.250 nan 8.380 nan 0.000 0.464 2201 T N -3.111 111.487 114.554 0.072 0.000 3.000 2201 T HA 0.317 4.667 4.350 0.000 0.000 0.248 2201 T C 1.831 176.501 174.700 -0.051 0.000 1.034 2201 T CA 0.112 62.236 62.100 0.041 0.000 1.060 2201 T CB 0.098 69.010 68.868 0.073 0.000 0.983 2201 T HN 0.035 nan 8.240 nan 0.000 0.482 2202 A N 0.776 123.456 122.820 -0.233 0.000 2.119 2202 A HA 0.430 4.750 4.320 0.000 0.000 0.217 2202 A C 0.314 177.476 177.584 -0.704 0.000 1.153 2202 A CA 0.116 51.808 52.037 -0.575 0.000 0.692 2202 A CB -0.608 17.833 19.000 -0.932 0.000 0.799 2202 A HN 0.601 nan 8.150 nan 0.000 0.458 2203 F N -0.505 119.505 119.950 0.099 0.000 2.460 2203 F HA 0.629 5.156 4.527 0.000 0.000 0.341 2203 F C 0.269 176.102 175.800 0.056 0.000 1.130 2203 F CA -0.791 57.251 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 2.372 125.310 122.820 0.196 0.000 2.304 2204 A HA 0.848 5.168 4.320 0.000 0.000 0.323 2204 A C -0.100 177.541 177.584 0.096 0.000 1.195 2204 A CA -0.559 51.546 52.037 0.114 0.000 0.826 2204 A CB 0.657 19.692 19.000 0.059 0.000 1.184 2204 A HN 0.896 nan 8.150 nan 0.000 0.496 2205 A N 1.765 124.629 122.820 0.073 0.000 2.346 2205 A HA 0.527 4.847 4.320 0.000 0.000 0.252 2205 A C 0.432 178.033 177.584 0.028 0.000 1.089 2205 A CA -0.302 51.762 52.037 0.045 0.000 0.797 2205 A CB -0.028 18.996 19.000 0.040 0.000 1.047 2205 A HN 1.177 nan 8.150 nan 0.000 0.494 2206 V N 1.052 120.972 119.914 0.011 0.000 2.694 2206 V HA 0.369 4.489 4.120 0.000 0.000 0.306 2206 V C 1.715 177.814 176.094 0.007 0.000 1.054 2206 V CA 1.818 64.121 62.300 0.005 0.000 1.161 2206 V CB 0.046 31.865 31.823 -0.007 0.000 0.916 2206 V HN 1.965 nan 8.190 nan 0.000 0.490 2207 G N 3.207 112.010 108.800 0.006 0.000 2.253 2207 G HA2 -0.157 3.803 3.960 0.000 0.000 0.251 2207 G HA3 -0.157 3.803 3.960 0.000 0.000 0.251 2207 G C 0.448 175.352 174.900 0.007 0.000 0.998 2207 G CA 0.330 45.431 45.100 0.002 0.000 0.621 2207 G HN 1.516 nan 8.290 nan 0.000 0.524 2208 A N -0.145 122.685 122.820 0.017 0.000 2.287 2208 A HA 0.642 4.962 4.320 0.000 0.000 0.273 2208 A C 0.526 178.126 177.584 0.027 0.000 1.091 2208 A CA 0.186 52.237 52.037 0.023 0.000 0.817 2208 A CB 0.350 19.371 19.000 0.035 0.000 1.069 2208 A HN 0.552 nan 8.150 nan 0.000 0.492 2209 N N 1.057 119.777 118.700 0.033 0.000 2.452 2209 N HA 0.143 4.883 4.740 0.000 0.000 0.266 2209 N C -1.688 173.844 175.510 0.037 0.000 1.175 2209 N CA -1.455 51.628 53.050 0.056 0.000 0.945 2209 N CB 1.008 39.530 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 1.579 178.710 177.300 -0.281 0.000 1.248 2210 P CA -0.099 62.933 63.100 -0.112 0.000 0.807 2210 P CB 0.491 32.104 31.700 -0.145 0.000 1.150 2211 L N 1.661 122.725 121.223 -0.265 0.000 2.011 2211 L HA -0.211 4.129 4.340 0.000 0.000 0.225 2211 L C 1.817 178.493 176.870 -0.323 0.000 1.084 2211 L CA 2.234 56.797 54.840 -0.460 0.000 0.791 2211 L CB -0.915 41.093 42.059 -0.085 0.000 0.898 2211 L HN -0.088 nan 8.230 nan 0.000 0.440 2212 E N -0.139 120.025 120.200 -0.060 0.000 2.474 2212 E HA 0.275 4.625 4.350 0.000 0.000 0.195 2212 E C 0.730 177.358 176.600 0.047 0.000 1.039 2212 E CA 0.578 57.028 56.400 0.084 0.000 0.881 2212 E CB -0.093 29.687 29.700 0.134 0.000 0.970 2212 E HN 0.578 nan 8.360 nan 0.000 0.486 2213 A N 0.870 123.670 122.820 -0.034 0.000 2.271 2213 A HA 0.488 4.808 4.320 0.000 0.000 0.288 2213 A C 1.117 178.670 177.584 -0.052 0.000 1.094 2213 A CA -0.435 51.579 52.037 -0.039 0.000 0.828 2213 A CB 0.509 19.493 19.000 -0.027 0.000 1.091 2213 A HN 0.044 nan 8.150 nan 0.000 0.493 2214 I N -1.522 119.012 120.570 -0.060 0.000 2.810 2214 I HA 0.114 4.284 4.170 0.000 0.000 0.262 2214 I C -0.348 175.588 176.117 -0.301 0.000 1.131 2214 I CA 0.672 61.901 61.300 -0.118 0.000 1.453 2214 I CB -0.014 37.978 38.000 -0.014 0.000 1.161 2214 I HN 0.586 nan 8.210 nan 0.000 0.444 2215 Y N 0.402 120.747 120.300 0.075 0.000 2.499 2215 Y HA 0.556 5.106 4.550 0.000 0.000 0.347 2215 Y C -0.250 175.716 175.900 0.109 0.000 0.987 2215 Y CA -0.721 57.449 58.100 0.116 0.000 1.044 2215 Y CB 1.787 40.364 38.460 0.196 0.000 1.245 2215 Y HN -0.058 nan 8.280 nan 0.000 0.461 2216 Q N 1.523 121.447 119.800 0.206 0.000 2.359 2216 Q HA 0.761 5.101 4.340 0.000 0.000 0.274 2216 Q C -1.005 175.050 176.000 0.092 0.000 1.074 2216 Q CA -0.630 55.246 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 0.439 109.269 108.800 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 -0.375 174.494 174.900 -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 -0.884 121.875 122.820 -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 -0.368 0.000 1.154 2218 A CA 2.536 54.467 52.037 -0.177 0.000 0.701 2218 A CB -0.372 18.527 19.000 -0.167 0.000 0.789 2218 A HN 1.934 nan 8.150 nan 0.000 0.465 2219 G N -1.716 106.873 108.800 -0.352 0.000 3.233 2219 G HA2 0.339 4.299 3.960 0.000 0.000 0.234 2219 G HA3 0.339 4.299 3.960 0.000 0.000 0.234 2219 G C 1.303 176.101 174.900 -0.169 0.000 1.137 2219 G CA 0.835 45.668 45.100 -0.446 0.000 0.763 2219 G HN 0.581 nan 8.290 nan 0.000 0.549 2220 A N 1.508 124.265 122.820 -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 -0.029 0.000 1.185 2220 A CA 2.330 54.345 52.037 -0.037 0.000 0.639 2220 A CB -0.731 18.314 19.000 0.076 0.000 0.820 2220 A HN 0.826 nan 8.150 nan 0.000 0.451 2221 A N -0.736 122.098 122.820 0.024 0.000 2.024 2221 A HA -0.146 4.174 4.320 0.000 0.000 0.220 2221 A C 1.359 178.952 177.584 0.015 0.000 1.164 2221 A CA 1.897 53.965 52.037 0.051 0.000 0.643 2221 A CB -0.397 18.648 19.000 0.074 0.000 0.806 2221 A HN 0.451 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 -0.158 176.025 176.300 -0.196 0.000 1.093 2222 D CA -0.128 53.842 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 -0.400 0.000 2.539 2223 C HA 0.557 5.017 4.460 0.000 0.000 0.392 2223 C C 0.571 175.095 174.990 -0.778 0.000 1.269 2223 C CA -0.546 57.986 59.018 -0.811 0.000 2.250 2223 C CB 0.147 26.946 27.740 -1.568 0.000 2.584 2223 C HN 0.384 nan 8.230 nan 0.000 0.589 2224 E N 0.988 120.841 120.200 -0.578 0.000 2.390 2224 E HA 0.485 4.835 4.350 0.000 0.000 0.280 2224 E C -1.703 174.881 176.600 -0.025 0.000 0.992 2224 E CA -0.662 55.664 56.400 -0.122 0.000 0.790 2224 E CB 0.687 30.380 29.700 -0.011 0.000 1.248 2224 E HN 0.425 nan 8.360 nan 0.000 0.447 2225 F N 1.718 121.802 119.950 0.223 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 57.906 58.000 0.146 0.000 1.196 2225 F CB 1.198 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 1.706 122.023 120.200 0.196 0.000 2.122 2226 E HA -0.021 4.329 4.350 0.000 0.000 0.190 2226 E C 0.008 176.643 176.600 0.059 0.000 0.977 2226 E CA 0.756 57.210 56.400 0.090 0.000 0.820 2226 E CB 0.087 29.812 29.700 0.042 0.000 0.770 2226 E HN 0.824 nan 8.360 nan 0.000 0.462 2227 E N -0.965 119.263 120.200 0.047 0.000 2.403 2227 E HA 0.511 4.861 4.350 0.000 0.000 0.280 2227 E C -1.079 175.362 176.600 -0.266 0.000 1.101 2227 E CA -0.539 55.776 56.400 -0.142 0.000 0.856 2227 E CB 0.881 30.499 29.700 -0.137 0.000 1.303 2227 E HN -0.130 nan 8.360 nan 0.000 0.441 2228 I N 0.892 121.051 120.570 -0.685 0.000 2.686 2228 I HA 0.497 4.667 4.170 0.000 0.000 0.295 2228 I C -0.993 174.652 176.117 -0.787 0.000 1.114 2228 I CA -0.846 59.980 61.300 -0.791 0.000 1.038 2228 I CB 2.389 39.635 38.000 -1.257 0.000 1.238 2228 I HN 0.530 nan 8.210 nan 0.000 0.420 2229 S N 3.820 119.272 115.700 -0.413 0.000 2.536 2229 S HA 0.722 5.192 4.470 0.000 0.000 0.287 2229 S C -1.479 173.039 174.600 -0.138 0.000 1.101 2229 S CA -0.601 57.425 58.200 -0.290 0.000 0.950 2229 S CB 1.966 65.046 63.200 -0.200 0.000 1.056 2229 S HN 0.523 nan 8.310 nan 0.000 0.481 2230 Y N -1.060 119.144 120.300 -0.160 0.000 2.553 2230 Y HA 0.864 5.414 4.550 0.000 0.000 0.347 2230 Y C -0.909 174.959 175.900 -0.054 0.000 1.019 2230 Y CA -0.874 57.189 58.100 -0.063 0.000 1.032 2230 Y CB 1.179 39.657 38.460 0.030 0.000 1.284 2230 Y HN 0.425 nan 8.280 nan 0.000 0.466 2231 T N 2.942 117.608 114.554 0.188 0.000 2.928 2231 T HA 0.502 4.852 4.350 0.000 0.000 0.296 2231 T C -1.450 173.344 174.700 0.157 0.000 1.000 2231 T CA -0.649 61.479 62.100 0.047 0.000 0.989 2231 T CB 1.420 70.256 68.868 -0.053 0.000 1.005 2231 T HN 0.623 nan 8.240 nan 0.000 0.442 2232 V N 4.278 124.265 119.914 0.121 0.000 2.370 2232 V HA 0.451 4.571 4.120 0.000 0.000 0.279 2232 V C -1.056 175.079 176.094 0.068 0.000 1.029 2232 V CA -0.725 61.682 62.300 0.177 0.000 0.870 2232 V CB 0.590 32.520 31.823 0.179 0.000 0.984 2232 V HN 0.809 nan 8.190 nan 0.000 0.451 2233 Y N 3.161 123.641 120.300 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 0.298 0.000 1.014 2233 Y CA -0.301 57.966 58.100 0.278 0.000 1.111 2233 Y CB 1.685 40.305 38.460 0.266 0.000 1.194 2233 Y HN 0.565 nan 8.280 nan 0.000 0.462 2234 Q N 2.249 122.287 119.800 0.397 0.000 2.290 2234 Q HA 0.444 4.784 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 -0.575 55.342 55.803 0.190 0.000 0.912 2234 Q CB 1.359 30.238 28.738 0.235 0.000 1.244 2234 Q HN 0.656 nan 8.270 nan 0.000 0.441 2235 S N 4.208 119.941 115.700 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 -0.347 57.931 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 1.957 122.248 120.300 -0.015 0.000 2.705 2236 Y HA 0.703 5.253 4.550 0.000 0.000 0.332 2236 Y C -1.878 174.014 175.900 -0.014 0.000 1.221 2236 Y CA -1.563 56.517 58.100 -0.034 0.000 1.059 2236 Y CB 0.860 39.294 38.460 -0.043 0.000 1.298 2236 Y HN 0.413 nan 8.280 nan 0.000 0.459 2237 L N 2.415 123.734 121.223 0.160 0.000 2.313 2237 L HA 0.469 4.809 4.340 0.000 0.000 0.283 2237 L C -0.915 176.046 176.870 0.153 0.000 1.013 2237 L CA -0.542 54.329 54.840 0.051 0.000 0.816 2237 L CB 1.394 43.466 42.059 0.020 0.000 1.236 2237 L HN 0.678 nan 8.230 nan 0.000 0.419 2238 D N 1.618 122.070 120.400 0.087 0.000 2.494 2238 D HA 0.236 4.876 4.640 0.000 0.000 0.259 2238 D C -0.268 176.062 176.300 0.050 0.000 1.109 2238 D CA 0.039 54.120 54.000 0.136 0.000 1.040 2238 D CB 1.100 42.002 40.800 0.169 0.000 1.175 2238 D HN 0.311 nan 8.370 nan 0.000 0.584 2239 Q N -0.051 119.783 119.800 0.057 0.000 2.452 2239 Q HA -0.179 4.161 4.340 0.000 0.000 0.318 2239 Q C -0.539 175.469 176.000 0.014 0.000 1.386 2239 Q CA 0.398 56.228 55.803 0.045 0.000 0.872 2239 Q CB -1.938 26.823 28.738 0.038 0.000 1.151 2239 Q HN 0.453 nan 8.270 nan 0.000 0.417 2240 L N 2.000 123.193 121.223 -0.049 0.000 2.490 2240 L HA 0.121 4.461 4.340 0.000 0.000 0.274 2240 L C -1.047 175.811 176.870 -0.020 0.000 1.201 2240 L CA -1.161 53.588 54.840 -0.152 0.000 0.869 2240 L CB -0.190 41.564 42.059 -0.508 0.000 1.123 2240 L HN 0.027 nan 8.230 nan 0.000 0.484 2241 P HA 0.130 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 -0.169 62.982 63.100 0.085 0.000 0.771 2241 P CB 1.334 33.060 31.700 0.044 0.000 0.864 2242 V N 2.506 122.534 119.914 0.189 0.000 2.667 2242 V HA 0.767 4.887 4.120 0.000 0.000 0.308 2242 V C 0.905 177.053 176.094 0.091 0.000 1.048 2242 V CA -0.227 62.182 62.300 0.182 0.000 0.928 2242 V CB 1.681 33.572 31.823 0.113 0.000 1.004 2242 V HN 0.890 nan 8.190 nan 0.000 0.444 2243 G N 1.241 110.083 108.800 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 0.573 175.486 174.900 0.022 0.000 1.320 2243 G CA 0.458 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 -1.867 117.943 119.800 0.016 0.000 2.084 2244 Q HA -0.082 4.258 4.340 0.000 0.000 0.202 2244 Q C 2.126 178.128 176.000 0.003 0.000 0.978 2244 Q CA 2.410 58.218 55.803 0.007 0.000 0.844 2244 Q CB -1.604 27.139 28.738 0.008 0.000 0.898 2244 Q HN 1.293 nan 8.270 nan 0.000 0.426 2245 N N -0.397 118.309 118.700 0.010 0.000 2.313 2245 N HA 0.479 5.219 4.740 0.000 0.000 0.207 2245 N C 1.289 176.802 175.510 0.004 0.000 1.141 2245 N CA 0.972 54.026 53.050 0.007 0.000 0.830 2245 N CB -0.190 38.306 38.487 0.016 0.000 1.008 2245 N HN 1.446 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 -0.336 174.598 174.900 0.057 0.000 1.250 2246 G CA -0.410 44.666 45.100 -0.041 0.000 0.926 2246 G HN 0.573 nan 8.290 nan 0.000 0.581 2247 Y N 0.611 120.919 120.300 0.013 0.000 2.729 2247 Y HA 0.237 4.787 4.550 0.000 0.000 0.331 2247 Y C 1.521 177.429 175.900 0.013 0.000 1.208 2247 Y CA -0.168 57.941 58.100 0.015 0.000 1.521 2247 Y CB 0.129 38.599 38.460 0.018 0.000 1.233 2247 Y HN 0.313 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 -0.548 175.599 176.117 0.049 0.000 1.063 2248 I CA 0.204 61.559 61.300 0.090 0.000 1.351 2248 I CB 0.199 38.237 38.000 0.063 0.000 1.410 2248 I HN 0.379 nan 8.210 nan 0.000 0.505 2249 L N 8.558 129.806 121.223 0.042 0.000 2.455 2249 L HA 0.461 4.801 4.340 0.000 0.000 0.264 2249 L C -2.518 174.359 176.870 0.011 0.000 0.968 2249 L CA -1.824 53.026 54.840 0.015 0.000 0.827 2249 L CB 2.527 44.600 42.059 0.023 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 0.639 177.934 177.300 -0.008 0.000 1.428 2250 P CA -0.204 62.891 63.100 -0.010 0.000 0.995 2250 P CB 0.699 32.387 31.700 -0.020 0.000 1.286 2251 L N 2.884 124.106 121.223 -0.002 0.000 2.131 2251 L HA -0.144 4.196 4.340 0.000 0.000 0.210 2251 L C 2.378 179.242 176.870 -0.010 0.000 1.092 2251 L CA 1.261 56.102 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 -0.354 120.200 120.570 -0.028 0.000 2.286 2252 I HA -0.218 3.952 4.170 0.000 0.000 0.245 2252 I C 2.058 178.131 176.117 -0.072 0.000 1.104 2252 I CA 0.966 62.236 61.300 -0.049 0.000 1.397 2252 I CB -0.371 37.590 38.000 -0.064 0.000 1.072 2252 I HN 0.194 nan 8.210 nan 0.000 0.417 2253 D N 1.287 121.643 120.400 -0.074 0.000 2.092 2253 D HA -0.158 4.482 4.640 0.000 0.000 0.193 2253 D C 2.180 178.457 176.300 -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 0.316 121.534 121.223 -0.008 0.000 2.551 2254 L HA -0.000 4.340 4.340 0.000 0.000 0.228 2254 L C 1.574 178.469 176.870 0.041 0.000 1.153 2254 L CA 0.674 55.531 54.840 0.027 0.000 0.851 2254 L CB -0.196 41.880 42.059 0.028 0.000 0.959 2254 L HN 0.034 nan 8.230 nan 0.000 0.451 2255 S N -3.090 112.619 115.700 0.014 0.000 2.593 2255 S HA 0.168 4.638 4.470 0.000 0.000 0.236 2255 S C 0.505 175.105 174.600 0.001 0.000 0.991 2255 S CA -0.548 57.664 58.200 0.020 0.000 0.963 2255 S CB 0.163 63.371 63.200 0.013 0.000 0.865 2255 S HN 0.085 nan 8.310 nan 0.000 0.488 2256 T N 2.819 117.361 114.554 -0.019 0.000 2.855 2256 T HA 0.571 4.921 4.350 0.000 0.000 0.281 2256 T C -0.571 174.125 174.700 -0.006 0.000 1.007 2256 T CA -0.600 61.470 62.100 -0.049 0.000 1.009 2256 T CB 1.345 70.110 68.868 -0.171 0.000 0.983 2256 T HN 0.259 nan 8.240 nan 0.000 0.455 2257 L N 3.240 124.458 121.223 -0.009 0.000 2.289 2257 L HA 0.454 4.794 4.340 0.000 0.000 0.285 2257 L C -0.932 176.020 176.870 0.136 0.000 1.049 2257 L CA -1.046 53.765 54.840 -0.049 0.000 0.804 2257 L CB 0.635 42.564 42.059 -0.217 0.000 1.195 2257 L HN 0.625 nan 8.230 nan 0.000 0.428 2258 Y N 4.514 124.859 120.300 0.076 0.000 2.402 2258 Y HA 0.472 5.022 4.550 0.000 0.000 0.332 2258 Y C -0.852 174.994 175.900 -0.091 0.000 0.960 2258 Y CA -1.240 56.962 58.100 0.170 0.000 1.228 2258 Y CB 0.581 39.270 38.460 0.383 0.000 1.120 2258 Y HN 0.523 nan 8.280 nan 0.000 0.491 2259 N N 5.889 124.159 118.700 -0.716 0.000 2.265 2259 N HA 0.568 5.308 4.740 0.000 0.000 0.300 2259 N C -1.527 173.471 175.510 -0.854 0.000 1.148 2259 N CA -0.648 51.900 53.050 -0.837 0.000 0.772 2259 N CB 2.378 40.348 38.487 -0.861 0.000 1.434 2259 N HN 0.555 nan 8.380 nan 0.000 0.481 2260 L N 0.584 121.510 121.223 -0.496 0.000 2.346 2260 L HA 0.590 4.930 4.340 0.000 0.000 0.276 2260 L C -0.005 176.858 176.870 -0.011 0.000 1.006 2260 L CA -0.548 54.177 54.840 -0.191 0.000 0.817 2260 L CB 1.699 43.613 42.059 -0.242 0.000 1.272 2260 L HN 0.387 nan 8.230 nan 0.000 0.421 2261 E N 2.456 122.791 120.200 0.224 0.000 2.408 2261 E HA 0.381 4.731 4.350 0.000 0.000 0.275 2261 E C -1.480 175.219 176.600 0.164 0.000 0.935 2261 E CA -0.850 55.678 56.400 0.213 0.000 0.775 2261 E CB 3.147 33.046 29.700 0.332 0.000 1.277 2261 E HN 0.670 nan 8.360 nan 0.000 0.455 2262 N N -0.046 118.684 118.700 0.049 0.000 2.405 2262 N HA 0.534 5.274 4.740 0.000 0.000 0.285 2262 N C -1.140 174.406 175.510 0.061 0.000 1.262 2262 N CA -0.577 52.430 53.050 -0.071 0.000 0.773 2262 N CB 2.012 40.340 38.487 -0.265 0.000 1.490 2262 N HN 0.492 nan 8.380 nan 0.000 0.486 2263 S N -1.378 114.366 115.700 0.074 0.000 2.656 2263 S HA 0.887 5.357 4.470 0.000 0.000 0.273 2263 S C -1.553 173.122 174.600 0.124 0.000 1.168 2263 S CA -0.881 57.391 58.200 0.120 0.000 0.817 2263 S CB 1.258 64.561 63.200 0.171 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 -1.337 176.330 177.584 0.138 0.000 1.054 2264 A CA -0.741 51.379 52.037 0.138 0.000 0.724 2264 A CB 1.572 20.653 19.000 0.135 0.000 1.267 2264 A HN 0.775 nan 8.150 nan 0.000 0.418 2265 Q N 0.620 120.522 119.800 0.171 0.000 2.359 2265 Q HA 0.789 5.129 4.340 0.000 0.000 0.274 2265 Q C -0.669 175.475 176.000 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 1.197 nan 8.270 nan 0.000 0.427 2266 A N -0.343 122.617 122.820 0.233 0.000 2.486 2266 A HA 0.932 5.252 4.320 0.000 0.000 0.289 2266 A C 0.347 178.028 177.584 0.161 0.000 1.176 2266 A CA -0.284 51.797 52.037 0.074 0.000 0.757 2266 A CB 1.430 20.456 19.000 0.043 0.000 1.337 2266 A HN 1.407 nan 8.150 nan 0.000 0.423 2267 G N -1.075 107.724 108.800 -0.001 0.000 2.151 2267 G HA2 0.011 3.971 3.960 0.000 0.000 0.156 2267 G HA3 0.011 3.971 3.960 0.000 0.000 0.156 2267 G C -0.423 174.488 174.900 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 1.486 122.518 121.223 -0.319 0.000 2.395 2268 L HA 0.777 5.117 4.340 0.000 0.000 0.269 2268 L C 0.976 177.770 176.870 -0.126 0.000 1.133 2268 L CA 0.515 55.138 54.840 -0.361 0.000 0.812 2268 L CB 1.667 43.368 42.059 -0.596 0.000 1.125 2268 L HN 0.458 nan 8.230 nan 0.000 0.452 2269 T N -0.106 114.403 114.554 -0.075 0.000 2.952 2269 T HA 0.544 4.894 4.350 0.000 0.000 0.305 2269 T C -2.857 171.813 174.700 -0.049 0.000 1.064 2269 T CA -2.230 59.845 62.100 -0.041 0.000 1.008 2269 T CB 1.913 70.774 68.868 -0.011 0.000 1.078 2269 T HN 0.163 nan 8.240 nan 0.000 0.459 2270 P HA 0.121 nan 4.420 nan 0.000 0.261 2270 P C 0.289 177.561 177.300 -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 -0.983 117.674 118.700 -0.070 0.000 2.778 2271 N HA -0.144 4.596 4.740 0.000 0.000 0.249 2271 N C -0.578 174.895 175.510 -0.062 0.000 1.069 2271 N CA 0.752 53.761 53.050 -0.069 0.000 0.831 2271 N CB -1.641 36.828 38.487 -0.030 0.000 1.142 2271 N HN 0.193 nan 8.380 nan 0.000 0.573 2272 V N 1.150 121.025 119.914 -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 -0.814 61.465 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 3.403 123.783 120.400 -0.034 0.000 2.434 2273 D HA 0.109 4.749 4.640 0.000 0.000 0.252 2273 D C -0.541 175.770 176.300 0.018 0.000 1.185 2273 D CA 0.499 54.476 54.000 -0.038 0.000 0.886 2273 D CB 0.392 41.191 40.800 -0.000 0.000 1.148 2273 D HN 0.348 nan 8.370 nan 0.000 0.483 2274 F N 3.629 123.485 119.950 -0.156 0.000 2.385 2274 F HA 0.329 4.856 4.527 0.000 0.000 0.360 2274 F C -0.713 175.030 175.800 -0.096 0.000 1.122 2274 F CA -0.781 57.143 58.000 -0.127 0.000 1.090 2274 F CB 0.785 39.681 39.000 -0.173 0.000 1.150 2274 F HN 0.002 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 -0.598 175.239 176.094 -0.429 0.000 1.024 2275 V CA -0.907 61.192 62.300 -0.336 0.000 0.861 2275 V CB 1.427 33.136 31.823 -0.191 0.000 0.985 2275 V HN 0.496 nan 8.190 nan 0.000 0.436 2276 V N 5.104 124.868 119.914 -0.250 0.000 2.328 2276 V HA 0.333 4.454 4.120 0.000 0.000 0.278 2276 V C 0.111 176.078 176.094 -0.213 0.000 1.021 2276 V CA -0.707 61.460 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 0.815 nan 8.190 nan 0.000 0.447 2277 Q N 3.018 122.703 119.800 -0.193 0.000 2.352 2277 Q HA 0.275 4.615 4.340 0.000 0.000 0.260 2277 Q C -0.821 175.024 176.000 -0.259 0.000 0.976 2277 Q CA 0.120 55.829 55.803 -0.156 0.000 0.881 2277 Q CB 1.015 29.691 28.738 -0.103 0.000 1.235 2277 Q HN 0.633 nan 8.270 nan 0.000 0.419 2278 Y N 0.071 120.256 120.300 -0.193 0.000 2.304 2278 Y HA 0.348 4.898 4.550 0.000 0.000 0.328 2278 Y C 0.735 176.526 175.900 -0.182 0.000 1.123 2278 Y CA -0.394 57.479 58.100 -0.378 0.000 1.218 2278 Y CB 1.036 39.206 38.460 -0.485 0.000 1.207 2278 Y HN 0.644 nan 8.280 nan 0.000 0.495 2279 A N 3.032 125.867 122.820 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 -0.799 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 -0.673 117.936 118.700 -0.152 0.000 2.408 2280 N HA 0.534 5.274 4.740 0.000 0.000 0.260 2280 N C 0.547 175.938 175.510 -0.199 0.000 1.242 2280 N CA -0.137 52.820 53.050 -0.155 0.000 0.959 2280 N CB 0.502 38.892 38.487 -0.162 0.000 1.201 2280 N HN 0.731 nan 8.380 nan 0.000 0.511 2281 L N -4.088 117.057 121.223 -0.131 0.000 3.271 2281 L HA -0.299 4.041 4.340 0.000 0.000 0.385 2281 L C -0.304 176.777 176.870 0.352 0.000 0.696 2281 L CA 1.321 56.208 54.840 0.078 0.000 3.118 2281 L CB -1.367 40.698 42.059 0.010 0.000 0.639 2281 L HN 0.628 nan 8.230 nan 0.000 0.752 2282 Y N 1.310 121.598 120.300 -0.020 0.000 2.346 2282 Y HA 0.267 4.817 4.550 0.000 0.000 0.330 2282 Y C 1.030 176.910 175.900 -0.033 0.000 1.178 2282 Y CA -0.633 57.325 58.100 -0.237 0.000 1.331 2282 Y CB 0.505 38.381 38.460 -0.973 0.000 1.253 2282 Y HN 0.060 nan 8.280 nan 0.000 0.529 2283 R N 3.566 124.156 120.500 0.151 0.000 2.247 2283 R HA 0.215 4.555 4.340 0.000 0.000 0.329 2283 R C -1.712 174.633 176.300 0.075 0.000 1.014 2283 R CA -0.602 55.593 56.100 0.158 0.000 0.907 2283 R CB 0.370 30.708 30.300 0.064 0.000 1.146 2283 R HN 0.535 nan 8.270 nan 0.000 0.499 2284 Y N 3.239 123.647 120.300 0.180 0.000 2.436 2284 Y HA 0.046 4.596 4.550 0.000 0.000 0.343 2284 Y C 1.384 177.346 175.900 0.103 0.000 1.008 2284 Y CA -0.266 57.953 58.100 0.197 0.000 1.241 2284 Y CB 0.640 39.235 38.460 0.225 0.000 1.153 2284 Y HN 0.464 nan 8.280 nan 0.000 0.521 2285 L N 1.898 123.241 121.223 0.199 0.000 2.162 2285 L HA 0.039 4.379 4.340 0.000 0.000 0.205 2285 L C 0.759 177.741 176.870 0.187 0.000 1.086 2285 L CA 0.611 55.508 54.840 0.096 0.000 0.778 2285 L CB -0.114 41.921 42.059 -0.039 0.000 0.928 2285 L HN 0.624 nan 8.230 nan 0.000 0.446 2286 S N -1.990 113.884 115.700 0.291 0.000 2.570 2286 S HA 0.611 5.081 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 -0.678 57.666 58.200 0.239 0.000 0.837 2286 S CB 2.365 65.752 63.200 0.311 0.000 1.124 2286 S HN -0.071 nan 8.310 nan 0.000 0.465 2287 T N 1.931 116.592 114.554 0.177 0.000 2.916 2287 T HA 0.611 4.961 4.350 0.000 0.000 0.298 2287 T C -0.957 173.722 174.700 -0.034 0.000 1.031 2287 T CA -0.397 61.766 62.100 0.104 0.000 0.993 2287 T CB 0.906 69.882 68.868 0.180 0.000 1.045 2287 T HN 0.660 nan 8.240 nan 0.000 0.454 2288 I N 2.237 122.723 120.570 -0.139 0.000 2.509 2288 I HA 0.723 4.893 4.170 0.000 0.000 0.293 2288 I C -0.351 175.622 176.117 -0.241 0.000 1.020 2288 I CA -0.928 60.331 61.300 -0.068 0.000 1.088 2288 I CB 1.750 39.811 38.000 0.102 0.000 1.267 2288 I HN 0.734 nan 8.210 nan 0.000 0.430 2289 A N 6.252 128.983 122.820 -0.148 0.000 2.335 2289 A HA 0.755 5.075 4.320 0.000 0.000 0.304 2289 A C -1.141 176.521 177.584 0.129 0.000 1.118 2289 A CA -0.475 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 0.155 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 -0.391 62.045 62.300 0.227 0.000 0.841 2290 V CB 1.192 33.097 31.823 0.137 0.000 0.991 2290 V HN 0.782 nan 8.190 nan 0.000 0.437 2291 F N 5.286 125.328 119.950 0.152 0.000 2.406 2291 F HA 0.369 4.896 4.527 0.000 0.000 0.358 2291 F C 0.461 176.151 175.800 -0.184 0.000 1.161 2291 F CA -1.794 56.212 58.000 0.011 0.000 1.185 2291 F CB 0.170 39.197 39.000 0.046 0.000 1.421 2291 F HN 0.599 nan 8.300 nan 0.000 0.576 2292 D N 4.242 124.624 120.400 -0.030 0.000 2.435 2292 D HA -0.030 4.610 4.640 0.000 0.000 0.230 2292 D C -0.081 175.881 176.300 -0.563 0.000 1.215 2292 D CA 0.089 53.761 54.000 -0.546 0.000 0.947 2292 D CB -0.322 40.398 40.800 -0.134 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 0.734 175.933 175.510 -0.517 0.000 1.209 2293 N CA 0.413 52.939 53.050 -0.873 0.000 1.154 2293 N CB -0.436 37.334 38.487 -1.196 0.000 1.444 2293 N HN 0.608 nan 8.380 nan 0.000 0.529 2294 G N 0.974 109.569 108.800 -0.342 0.000 2.323 2294 G HA2 -0.214 3.747 3.960 0.000 0.000 0.292 2294 G HA3 -0.214 3.747 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 0.567 45.536 45.100 -0.219 0.000 0.942 2294 G HN 1.103 nan 8.290 nan 0.000 0.506 2295 G N -2.333 106.290 108.800 -0.296 0.000 2.217 2295 G HA2 -0.059 3.901 3.960 0.000 0.000 0.246 2295 G HA3 -0.059 3.901 3.960 0.000 0.000 0.246 2295 G C 0.477 175.245 174.900 -0.220 0.000 0.990 2295 G CA 0.643 45.644 45.100 -0.165 0.000 0.627 2295 G HN 1.742 nan 8.290 nan 0.000 0.522 2296 S N 0.262 115.699 115.700 -0.437 0.000 2.508 2296 S HA 0.761 5.231 4.470 0.000 0.000 0.284 2296 S C -0.811 173.378 174.600 -0.685 0.000 1.192 2296 S CA -0.293 57.696 58.200 -0.351 0.000 1.070 2296 S CB 0.885 63.913 63.200 -0.288 0.000 1.004 2296 S HN 0.308 nan 8.310 nan 0.000 0.493 2297 F N 2.899 122.743 119.950 -0.177 0.000 2.445 2297 F HA 0.441 4.968 4.527 0.000 0.000 0.348 2297 F C 0.451 176.190 175.800 -0.103 0.000 1.125 2297 F CA -0.850 57.056 58.000 -0.158 0.000 0.983 2297 F CB 1.205 40.114 39.000 -0.153 0.000 1.198 2297 F HN 0.390 nan 8.300 nan 0.000 0.436 2298 N N 1.429 120.127 118.700 -0.004 0.000 2.384 2298 N HA 0.502 5.242 4.740 0.000 0.000 0.301 2298 N C -0.488 175.088 175.510 0.110 0.000 1.133 2298 N CA -0.705 52.363 53.050 0.030 0.000 0.853 2298 N CB 2.235 40.704 38.487 -0.030 0.000 1.241 2298 N HN 0.574 nan 8.380 nan 0.000 0.502 2299 A N 0.608 123.490 122.820 0.103 0.000 3.063 2299 A HA 0.462 4.782 4.320 0.000 0.000 0.263 2299 A C 1.352 179.044 177.584 0.180 0.000 1.736 2299 A CA 0.337 52.453 52.037 0.131 0.000 1.408 2299 A CB -1.423 17.634 19.000 0.095 0.000 1.108 2299 A HN 0.915 nan 8.150 nan 0.000 0.621 2300 G N 1.059 110.029 108.800 0.283 0.000 2.302 2300 G HA2 -0.422 3.538 3.960 0.000 0.000 0.263 2300 G HA3 -0.422 3.538 3.960 0.000 0.000 0.263 2300 G C 1.357 176.345 174.900 0.148 0.000 0.995 2300 G CA 1.546 46.809 45.100 0.273 0.000 0.622 2300 G HN 1.556 nan 8.290 nan 0.000 0.538 2301 T N -0.629 113.992 114.554 0.111 0.000 2.977 2301 T HA 0.046 4.396 4.350 0.000 0.000 0.271 2301 T C 1.476 176.208 174.700 0.052 0.000 1.105 2301 T CA 1.872 64.013 62.100 0.068 0.000 1.116 2301 T CB -0.240 68.656 68.868 0.046 0.000 0.878 2301 T HN 0.623 nan 8.240 nan 0.000 0.509 2302 D N 0.328 120.771 120.400 0.072 0.000 2.368 2302 D HA 0.256 4.896 4.640 0.000 0.000 0.218 2302 D C 0.145 176.529 176.300 0.141 0.000 1.112 2302 D CA -0.496 53.555 54.000 0.084 0.000 0.834 2302 D CB -0.307 40.508 40.800 0.024 0.000 0.953 2302 D HN 0.478 nan 8.370 nan 0.000 0.505 2303 I N 0.467 121.073 120.570 0.061 0.000 2.545 2303 I HA 0.218 4.388 4.170 0.000 0.000 0.292 2303 I C 0.620 176.685 176.117 -0.086 0.000 1.040 2303 I CA -0.862 60.401 61.300 -0.062 0.000 1.068 2303 I CB 2.137 40.037 38.000 -0.166 0.000 1.251 2303 I HN -0.269 nan 8.210 nan 0.000 0.424 2304 N N 3.901 122.501 118.700 -0.166 0.000 2.197 2304 N HA -0.002 4.738 4.740 0.000 0.000 0.184 2304 N C -0.568 174.947 175.510 0.008 0.000 1.030 2304 N CA 1.404 54.401 53.050 -0.088 0.000 0.851 2304 N CB 0.248 38.644 38.487 -0.153 0.000 1.003 2304 N HN 0.629 nan 8.380 nan 0.000 0.430 2305 Y N -1.973 118.249 120.300 -0.130 0.000 2.741 2305 Y HA 0.630 5.180 4.550 0.000 0.000 0.339 2305 Y C -1.789 173.939 175.900 -0.286 0.000 1.226 2305 Y CA -1.442 56.566 58.100 -0.154 0.000 1.072 2305 Y CB 0.476 38.887 38.460 -0.082 0.000 1.331 2305 Y HN -0.276 nan 8.280 nan 0.000 0.453 2306 L N 1.637 122.804 121.223 -0.094 0.000 2.333 2306 L HA 0.924 5.264 4.340 0.000 0.000 0.263 2306 L C -0.097 176.656 176.870 -0.194 0.000 1.014 2306 L CA -0.547 54.003 54.840 -0.484 0.000 0.820 2306 L CB 2.212 43.488 42.059 -1.305 0.000 1.352 2306 L HN 0.891 nan 8.230 nan 0.000 0.421 2307 S N -0.171 115.315 115.700 -0.356 0.000 2.636 2307 S HA 0.588 5.058 4.470 0.000 0.000 0.268 2307 S C -2.077 172.392 174.600 -0.217 0.000 1.159 2307 S CA -0.616 57.549 58.200 -0.058 0.000 0.815 2307 S CB 1.608 64.815 63.200 0.011 0.000 1.130 2307 S HN 0.578 nan 8.310 nan 0.000 0.471 2308 Q N 1.075 120.873 119.800 -0.003 0.000 2.304 2308 Q HA 0.570 4.910 4.340 0.000 0.000 0.270 2308 Q C -1.107 174.918 176.000 0.042 0.000 1.035 2308 Q CA -0.683 55.151 55.803 0.052 0.000 0.781 2308 Q CB 2.205 31.031 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 0.440 4.780 4.340 0.000 0.000 0.281 2309 R C -0.338 175.983 176.300 0.035 0.000 1.020 2309 R CA -0.708 55.409 56.100 0.028 0.000 0.899 2309 R CB 0.980 31.286 30.300 0.009 0.000 1.205 2309 R HN 0.502 nan 8.270 nan 0.000 0.450 2310 T N 0.680 115.245 114.554 0.017 0.000 3.418 2310 T HA 0.447 4.797 4.350 0.000 0.000 0.239 2310 T C 0.981 175.684 174.700 0.005 0.000 0.905 2310 T CA 0.110 62.217 62.100 0.012 0.000 0.929 2310 T CB -0.529 68.341 68.868 0.003 0.000 1.121 2310 T HN 1.087 nan 8.240 nan 0.000 0.608 2311 A N 1.495 124.319 122.820 0.006 0.000 5.821 2311 A HA -0.065 4.255 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 1.751 53.786 52.037 -0.003 0.000 0.715 2311 A CB -2.354 16.642 19.000 -0.007 0.000 1.178 2311 A HN 2.328 nan 8.150 nan 0.000 0.370 2312 N N -2.435 116.260 118.700 -0.009 0.000 2.677 2312 N HA 0.425 5.165 4.740 0.000 0.000 0.249 2312 N C 1.303 176.807 175.510 -0.009 0.000 1.073 2312 N CA 2.174 55.218 53.050 -0.009 0.000 0.737 2312 N CB -2.256 36.225 38.487 -0.009 0.000 0.999 2312 N HN 2.688 nan 8.380 nan 0.000 0.543 2313 F N -2.180 117.764 119.950 -0.009 0.000 2.694 2313 F HA 0.139 4.666 4.527 0.000 0.000 0.215 2313 F C 0.814 176.605 175.800 -0.013 0.000 1.032 2313 F CA 1.544 59.537 58.000 -0.011 0.000 0.871 2313 F CB -1.730 37.264 39.000 -0.011 0.000 0.776 2313 F HN 1.962 nan 8.300 nan 0.000 0.850 2314 S N 1.412 117.105 115.700 -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 57.906 58.200 -0.013 0.000 1.113 2314 S CB 0.645 63.840 63.200 -0.009 0.000 1.079 2314 S HN 0.578 nan 8.310 nan 0.000 0.479 2315 D N 2.793 123.180 120.400 -0.021 0.000 2.255 2315 D HA 0.239 4.879 4.640 0.000 0.000 0.249 2315 D C 1.204 177.497 176.300 -0.012 0.000 1.078 2315 D CA -0.059 53.931 54.000 -0.018 0.000 0.896 2315 D CB 1.890 42.664 40.800 -0.043 0.000 1.194 2315 D HN 0.659 nan 8.370 nan 0.000 0.429 2316 T N -1.068 113.487 114.554 0.002 0.000 3.022 2316 T HA 0.061 4.411 4.350 0.000 0.000 0.250 2316 T C 0.928 175.628 174.700 -0.000 0.000 1.060 2316 T CA -0.280 61.820 62.100 -0.001 0.000 1.013 2316 T CB 0.279 69.149 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 0.311 4.651 4.340 0.000 0.000 0.214 2317 R C -0.846 175.522 176.300 0.113 0.000 1.474 2317 R CA -0.653 55.467 56.100 0.034 0.000 1.435 2317 R CB -0.320 29.969 30.300 -0.018 0.000 1.517 2317 R HN 0.084 nan 8.270 nan 0.000 0.748 2318 K N 2.887 123.311 120.400 0.040 0.000 2.338 2318 K HA 0.283 4.603 4.320 0.000 0.000 0.290 2318 K C -0.961 175.661 176.600 0.037 0.000 1.069 2318 K CA -0.105 56.183 56.287 0.000 0.000 0.941 2318 K CB 0.467 32.860 32.500 -0.178 0.000 1.023 2318 K HN 0.444 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 0.342 4.682 4.340 0.000 0.000 0.262 2319 L C -0.431 176.575 176.870 0.227 0.000 1.006 2319 L CA -1.376 53.592 54.840 0.213 0.000 0.818 2319 L CB 2.034 44.287 42.059 0.323 0.000 1.354 2319 L HN 0.736 nan 8.230 nan 0.000 0.415 2320 D N 0.341 120.847 120.400 0.176 0.000 2.368 2320 D HA 0.150 4.790 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 -1.212 52.885 54.000 0.160 0.000 0.906 2320 D CB 0.669 41.543 40.800 0.123 0.000 1.187 2320 D HN 0.196 nan 8.370 nan 0.000 0.435 2321 P HA -0.216 nan 4.420 nan 0.000 0.216 2321 P C 1.130 178.605 177.300 0.291 0.000 1.150 2321 P CA 1.526 64.731 63.100 0.175 0.000 0.843 2321 P CB 0.091 31.861 31.700 0.117 0.000 0.787 2322 K N -1.069 119.462 120.400 0.217 0.000 2.097 2322 K HA -0.071 4.249 4.320 0.000 0.000 0.205 2322 K C 1.734 178.459 176.600 0.209 0.000 1.050 2322 K CA 1.526 57.934 56.287 0.202 0.000 0.938 2322 K CB -0.398 32.186 32.500 0.141 0.000 0.718 2322 K HN 0.032 nan 8.250 nan 0.000 0.442 2323 T N 0.336 115.012 114.554 0.203 0.000 2.904 2323 T HA -0.139 4.211 4.350 0.000 0.000 0.267 2323 T C 1.115 175.948 174.700 0.221 0.000 1.059 2323 T CA 0.776 62.980 62.100 0.173 0.000 1.137 2323 T CB -0.201 68.749 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 -0.069 4.591 4.660 0.000 0.000 0.303 2324 W C 2.446 179.089 176.519 0.206 0.000 1.208 2324 W CA 1.252 58.691 57.345 0.157 0.000 1.274 2324 W CB -0.614 28.947 29.460 0.168 0.000 1.138 2324 W HN 0.288 nan 8.180 nan 0.000 0.515 2325 A N 0.898 124.020 122.820 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 2.555 54.820 52.037 0.380 0.000 0.635 2325 A CB -1.218 17.977 19.000 0.325 0.000 0.810 2325 A HN 0.291 nan 8.150 nan 0.000 0.446 2326 A N -0.911 122.004 122.820 0.157 0.000 1.933 2326 A HA -0.185 4.135 4.320 0.000 0.000 0.218 2326 A C 2.090 179.707 177.584 0.056 0.000 1.175 2326 A CA 1.669 53.761 52.037 0.092 0.000 0.628 2326 A CB -0.432 18.614 19.000 0.076 0.000 0.814 2326 A HN 0.499 nan 8.150 nan 0.000 0.444 2327 Q N -0.491 119.321 119.800 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 -1.226 27.407 28.738 -0.173 0.000 0.901 2327 Q HN 0.636 nan 8.270 nan 0.000 0.429 2328 T N 1.091 115.703 114.554 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 0.754 62.981 62.100 0.212 0.000 1.139 2328 T CB -0.039 69.049 68.868 0.366 0.000 0.871 2328 T HN 0.261 nan 8.240 nan 0.000 0.454 2329 R N 0.719 121.261 120.500 0.071 0.000 2.152 2329 R HA 0.029 4.369 4.340 0.000 0.000 0.232 2329 R C 2.442 178.748 176.300 0.010 0.000 1.117 2329 R CA 0.756 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 0.221 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 1.851 178.168 176.300 0.028 0.000 1.074 2330 R CA 0.741 56.853 56.100 0.021 0.000 0.991 2330 R CB 0.022 30.336 30.300 0.023 0.000 0.883 2330 R HN 0.169 nan 8.270 nan 0.000 0.457 2331 R N 0.414 120.943 120.500 0.049 0.000 2.146 2331 R HA 0.158 4.498 4.340 0.000 0.000 0.206 2331 R C 2.028 178.317 176.300 -0.018 0.000 1.049 2331 R CA 0.773 56.910 56.100 0.062 0.000 1.029 2331 R CB 0.051 30.466 30.300 0.191 0.000 0.949 2331 R HN 0.313 nan 8.270 nan 0.000 0.471 2332 I N -3.965 116.555 120.570 -0.084 0.000 4.147 2332 I HA 0.478 4.648 4.170 0.000 0.000 0.329 2332 I C 0.498 176.525 176.117 -0.149 0.000 1.424 2332 I CA 0.101 61.298 61.300 -0.172 0.000 1.127 2332 I CB 0.881 38.649 38.000 -0.386 0.000 1.128 2332 I HN -0.042 nan 8.210 nan 0.000 0.417 2333 A N 0.295 123.060 122.820 -0.092 0.000 2.861 2333 A HA -0.213 4.107 4.320 0.000 0.000 0.261 2333 A C 0.638 178.175 177.584 -0.078 0.000 1.351 2333 A CA 1.673 53.668 52.037 -0.070 0.000 0.904 2333 A CB -2.297 16.665 19.000 -0.064 0.000 1.076 2333 A HN 0.806 nan 8.150 nan 0.000 0.729 2334 T N -1.854 112.635 114.554 -0.108 0.000 2.654 2334 T HA 0.496 4.846 4.350 0.000 0.000 0.303 2334 T C -2.120 172.504 174.700 -0.128 0.000 1.656 2334 T CA 0.137 62.177 62.100 -0.100 0.000 0.971 2334 T CB 0.939 69.739 68.868 -0.114 0.000 1.811 2334 T HN 0.284 nan 8.240 nan 0.000 0.483 2335 D N 0.569 120.912 120.400 -0.095 0.000 2.217 2335 D HA 0.515 5.155 4.640 0.000 0.000 0.248 2335 D C -0.276 175.935 176.300 -0.148 0.000 1.008 2335 D CA -0.119 53.845 54.000 -0.060 0.000 0.914 2335 D CB 0.801 41.616 40.800 0.024 0.000 1.182 2335 D HN 0.334 nan 8.370 nan 0.000 0.451 2336 F N 0.590 120.476 119.950 -0.108 0.000 2.399 2336 F HA 0.220 4.747 4.527 0.000 0.000 0.313 2336 F C -1.340 174.356 175.800 -0.174 0.000 1.202 2336 F CA -1.266 56.592 58.000 -0.236 0.000 1.192 2336 F CB 0.079 38.834 39.000 -0.409 0.000 1.256 2336 F HN 0.071 nan 8.300 nan 0.000 0.558 2337 P HA -0.008 nan 4.420 nan 0.000 0.270 2337 P C -1.173 176.160 177.300 0.054 0.000 1.227 2337 P CA -0.268 62.896 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 1.127 121.568 120.400 0.069 0.000 2.530 2338 K HA 0.111 4.431 4.320 0.000 0.000 0.280 2338 K C 1.289 177.951 176.600 0.105 0.000 1.004 2338 K CA 1.283 57.611 56.287 0.069 0.000 1.071 2338 K CB -0.767 31.793 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 -0.255 3.705 3.960 0.000 0.000 0.264 2339 G HA3 -0.255 3.705 3.960 0.000 0.000 0.264 2339 G C 0.015 174.865 174.900 -0.084 0.000 0.975 2339 G CA 0.078 45.248 45.100 0.117 0.000 0.642 2339 G HN 0.428 nan 8.290 nan 0.000 0.536 2340 V N 0.987 120.688 119.914 -0.356 0.000 2.370 2340 V HA 0.650 4.770 4.120 0.000 0.000 0.283 2340 V C -0.290 175.441 176.094 -0.604 0.000 1.023 2340 V CA -0.813 61.276 62.300 -0.351 0.000 0.857 2340 V CB 0.831 32.420 31.823 -0.389 0.000 0.985 2340 V HN 0.252 nan 8.190 nan 0.000 0.443 2341 Y N 4.133 124.468 120.300 0.058 0.000 2.393 2341 Y HA 0.622 5.172 4.550 0.000 0.000 0.341 2341 Y C -0.510 175.566 175.900 0.294 0.000 0.988 2341 Y CA -0.803 57.436 58.100 0.231 0.000 1.078 2341 Y CB 1.829 40.350 38.460 0.101 0.000 1.203 2341 Y HN 0.631 nan 8.280 nan 0.000 0.453 2342 Y N 2.180 122.782 120.300 0.504 0.000 2.468 2342 Y HA 0.672 5.222 4.550 0.000 0.000 0.342 2342 Y C -1.190 175.006 175.900 0.494 0.000 1.021 2342 Y CA -1.825 56.466 58.100 0.319 0.000 1.079 2342 Y CB 1.712 40.286 38.460 0.190 0.000 1.226 2342 Y HN 0.802 nan 8.280 nan 0.000 0.460 2343 C N 6.637 125.676 119.300 -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 -0.634 0.000 1.155 2343 C CA -0.709 58.121 59.018 -0.314 0.000 1.335 2343 C CB -0.018 27.916 27.740 0.322 0.000 1.964 2343 C HN 0.885 nan 8.230 nan 0.000 0.444 2344 D N 3.994 124.100 120.400 -0.490 0.000 2.280 2344 D HA 0.295 4.935 4.640 0.000 0.000 0.243 2344 D C 0.041 176.309 176.300 -0.053 0.000 1.129 2344 D CA 0.274 54.154 54.000 -0.200 0.000 0.848 2344 D CB 0.755 41.570 40.800 0.025 0.000 1.107 2344 D HN 0.710 nan 8.370 nan 0.000 0.471 2345 N N 3.511 122.219 118.700 0.012 0.000 2.451 2345 N HA 0.100 4.840 4.740 0.000 0.000 0.271 2345 N C 1.094 176.627 175.510 0.039 0.000 1.410 2345 N CA -0.171 52.896 53.050 0.029 0.000 0.884 2345 N CB 0.724 39.237 38.487 0.044 0.000 1.332 2345 N HN 0.359 nan 8.380 nan 0.000 0.498 2346 R N 0.479 121.011 120.500 0.053 0.000 2.081 2346 R HA -0.044 4.296 4.340 0.000 0.000 0.235 2346 R C 0.740 177.047 176.300 0.012 0.000 1.131 2346 R CA 1.159 57.285 56.100 0.042 0.000 0.960 2346 R CB 0.104 30.470 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 2.194 2347 D HA -0.041 4.599 4.640 0.000 0.000 0.204 2347 D C 0.208 176.512 176.300 0.006 0.000 0.964 2347 D CA 1.241 55.249 54.000 0.014 0.000 0.846 2347 D CB 0.226 41.036 40.800 0.018 0.000 0.962 2347 D HN 0.118 nan 8.370 nan 0.000 0.490 2348 K N 0.907 121.313 120.400 0.009 0.000 2.753 2348 K HA 0.293 4.613 4.320 0.000 0.000 0.185 2348 K C -2.738 173.874 176.600 0.020 0.000 1.071 2348 K CA -1.467 54.827 56.287 0.012 0.000 0.999 2348 K CB 2.323 34.830 32.500 0.012 0.000 1.244 2348 K HN -0.107 nan 8.250 nan 0.000 0.594 2349 P HA -0.038 nan 4.420 nan 0.000 0.265 2349 P C -0.117 177.233 177.300 0.084 0.000 1.187 2349 P CA -0.187 62.942 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 3.639 124.257 120.570 0.081 0.000 2.587 2350 I HA 0.007 4.177 4.170 0.000 0.000 0.284 2350 I C -0.039 176.222 176.117 0.240 0.000 1.134 2350 I CA 0.255 61.562 61.300 0.012 0.000 1.410 2350 I CB -1.204 36.566 38.000 -0.382 0.000 1.392 2350 I HN 0.402 nan 8.210 nan 0.000 0.545 2351 Y N 5.798 126.120 120.300 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 57.094 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 0.751 115.223 114.554 -0.136 0.000 2.881 2352 T HA -0.181 4.169 4.350 0.000 0.000 0.270 2352 T C 2.035 176.582 174.700 -0.255 0.000 1.068 2352 T CA 1.789 63.795 62.100 -0.158 0.000 1.131 2352 T CB -0.706 68.095 68.868 -0.112 0.000 0.871 2352 T HN 0.548 nan 8.240 nan 0.000 0.479 2353 L N 0.658 121.548 121.223 -0.555 0.000 2.056 2353 L HA 0.352 4.692 4.340 0.000 0.000 0.207 2353 L C 3.038 179.814 176.870 -0.157 0.000 1.078 2353 L CA 2.390 56.982 54.840 -0.412 0.000 0.749 2353 L CB -2.199 39.482 42.059 -0.630 0.000 0.901 2353 L HN 0.726 nan 8.230 nan 0.000 0.433 2354 Q N -2.412 117.361 119.800 -0.044 0.000 2.360 2354 Q HA 0.369 4.709 4.340 0.000 0.000 0.202 2354 Q C 1.438 177.464 176.000 0.043 0.000 0.915 2354 Q CA 1.537 57.389 55.803 0.082 0.000 0.943 2354 Q CB -0.957 27.913 28.738 0.221 0.000 1.064 2354 Q HN 1.857 nan 8.270 nan 0.000 0.511 2355 Y N -3.210 117.093 120.300 0.004 0.000 2.795 2355 Y HA 0.546 5.096 4.550 0.000 0.000 0.274 2355 Y C 1.274 177.164 175.900 -0.016 0.000 1.035 2355 Y CA 0.235 58.336 58.100 0.002 0.000 1.252 2355 Y CB -0.063 38.405 38.460 0.013 0.000 1.399 2355 Y HN 1.235 nan 8.280 nan 0.000 0.579 2356 G N 0.898 109.675 108.800 -0.038 0.000 2.796 2356 G HA2 -0.167 3.793 3.960 0.000 0.000 0.571 2356 G HA3 -0.167 3.793 3.960 0.000 0.000 0.571 2356 G C -0.508 174.371 174.900 -0.035 0.000 1.370 2356 G CA -0.380 44.696 45.100 -0.040 0.000 0.856 2356 G HN 0.941 nan 8.290 nan 0.000 0.538 2357 N N -0.990 117.693 118.700 -0.028 0.000 2.454 2357 N HA 0.332 5.072 4.740 0.000 0.000 0.254 2357 N C -0.000 175.519 175.510 0.015 0.000 1.228 2357 N CA 0.395 53.439 53.050 -0.011 0.000 0.900 2357 N CB 0.803 39.280 38.487 -0.017 0.000 1.089 2357 N HN 0.519 nan 8.380 nan 0.000 0.449 2358 V N 0.145 120.095 119.914 0.060 0.000 2.962 2358 V HA 0.754 4.874 4.120 0.000 0.000 0.313 2358 V C 0.393 176.646 176.094 0.265 0.000 1.099 2358 V CA -0.817 61.550 62.300 0.111 0.000 0.971 2358 V CB 2.088 33.928 31.823 0.029 0.000 1.028 2358 V HN 0.811 nan 8.190 nan 0.000 0.430 2359 G N 0.686 109.639 108.800 0.255 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 -2.052 173.011 174.900 0.272 0.000 1.369 2359 G CA -0.606 44.617 45.100 0.205 0.000 0.912 2359 G HN 0.489 nan 8.290 nan 0.000 0.479 2360 F N 1.698 121.648 119.950 0.001 0.000 2.408 2360 F HA 0.652 5.179 4.527 0.000 0.000 0.344 2360 F C -0.228 175.554 175.800 -0.031 0.000 1.112 2360 F CA -0.501 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 6.491 126.132 119.914 -0.455 0.000 2.555 2361 V HA 0.585 4.705 4.120 0.000 0.000 0.302 2361 V C -0.819 175.062 176.094 -0.354 0.000 1.038 2361 V CA -0.872 61.269 62.300 -0.264 0.000 0.887 2361 V CB 1.585 33.323 31.823 -0.140 0.000 0.991 2361 V HN 0.568 nan 8.190 nan 0.000 0.434 2362 V N 3.865 123.668 119.914 -0.186 0.000 2.525 2362 V HA 0.469 4.589 4.120 0.000 0.000 0.299 2362 V C -0.371 175.516 176.094 -0.345 0.000 1.034 2362 V CA -0.627 61.487 62.300 -0.310 0.000 0.863 2362 V CB 2.023 33.670 31.823 -0.294 0.000 0.999 2362 V HN 0.896 nan 8.190 nan 0.000 0.423 2363 N N 6.803 125.157 118.700 -0.576 0.000 2.558 2363 N HA 0.370 5.110 4.740 0.000 0.000 0.242 2363 N C -2.758 172.460 175.510 -0.486 0.000 0.979 2363 N CA -1.623 51.067 53.050 -0.600 0.000 0.931 2363 N CB 2.529 40.342 38.487 -1.123 0.000 1.122 2363 N HN 0.342 nan 8.380 nan 0.000 0.508 2364 P HA 0.129 nan 4.420 nan 0.000 0.275 2364 P C 0.176 177.403 177.300 -0.121 0.000 1.228 2364 P CA -0.153 62.809 63.100 -0.230 0.000 0.786 2364 P CB 2.070 33.629 31.700 -0.234 0.000 0.927 2365 K N 1.419 121.792 120.400 -0.044 0.000 2.168 2365 K HA 0.088 4.408 4.320 0.000 0.000 0.201 2365 K C 0.036 176.635 176.600 -0.002 0.000 1.049 2365 K CA 0.935 57.207 56.287 -0.026 0.000 0.974 2365 K CB 0.285 32.780 32.500 -0.008 0.000 0.792 2365 K HN 0.426 nan 8.250 nan 0.000 0.463 2366 T N 0.814 115.387 114.554 0.032 0.000 2.886 2366 T HA 0.435 4.785 4.350 0.000 0.000 0.292 2366 T C -1.454 173.276 174.700 0.051 0.000 1.012 2366 T CA -0.701 61.408 62.100 0.015 0.000 0.982 2366 T CB 2.296 71.155 68.868 -0.014 0.000 1.018 2366 T HN -0.175 nan 8.240 nan 0.000 0.451 2367 V N 4.329 124.252 119.914 0.015 0.000 2.447 2367 V HA 0.403 4.524 4.120 0.000 0.000 0.292 2367 V C -0.263 175.806 176.094 -0.041 0.000 1.021 2367 V CA -1.131 61.184 62.300 0.025 0.000 0.850 2367 V CB 1.465 33.298 31.823 0.017 0.000 1.005 2367 V HN 0.770 nan 8.190 nan 0.000 0.426 2368 N N 2.583 121.227 118.700 -0.094 0.000 2.379 2368 N HA 0.292 5.032 4.740 0.000 0.000 0.260 2368 N C 0.040 175.501 175.510 -0.082 0.000 1.254 2368 N CA -0.605 52.383 53.050 -0.103 0.000 0.958 2368 N CB 0.531 38.926 38.487 -0.155 0.000 1.208 2368 N HN 0.541 nan 8.380 nan 0.000 0.532 2369 Q N 1.143 120.901 119.800 -0.070 0.000 2.364 2369 Q HA 0.062 4.402 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 0.344 56.115 55.803 -0.053 0.000 0.886 2369 Q CB 0.132 28.845 28.738 -0.042 0.000 1.243 2369 Q HN 0.482 nan 8.270 nan 0.000 0.415 2370 N N -1.295 117.377 118.700 -0.046 0.000 2.776 2370 N HA -0.182 4.558 4.740 0.000 0.000 0.249 2370 N C -0.712 174.763 175.510 -0.059 0.000 1.111 2370 N CA 0.990 54.015 53.050 -0.042 0.000 0.711 2370 N CB -1.289 37.176 38.487 -0.037 0.000 1.065 2370 N HN 0.671 nan 8.380 nan 0.000 0.556 2371 A N 0.812 123.596 122.820 -0.061 0.000 2.371 2371 A HA 0.661 4.981 4.320 0.000 0.000 0.257 2371 A C 0.887 178.455 177.584 -0.025 0.000 1.089 2371 A CA 0.127 52.139 52.037 -0.043 0.000 0.794 2371 A CB 0.656 19.670 19.000 0.023 0.000 1.029 2371 A HN 0.471 nan 8.150 nan 0.000 0.488 2372 R N 0.799 121.313 120.500 0.024 0.000 2.712 2372 R HA 0.617 4.957 4.340 0.000 0.000 0.272 2372 R C -2.118 174.220 176.300 0.064 0.000 1.032 2372 R CA -0.925 55.172 56.100 -0.005 0.000 0.874 2372 R CB 0.922 31.241 30.300 0.032 0.000 1.256 2372 R HN 0.469 nan 8.270 nan 0.000 0.468 2373 L N 2.604 123.846 121.223 0.032 0.000 2.313 2373 L HA 0.487 4.827 4.340 0.000 0.000 0.283 2373 L C -0.764 176.186 176.870 0.134 0.000 1.013 2373 L CA -1.054 53.840 54.840 0.089 0.000 0.816 2373 L CB 1.678 43.795 42.059 0.096 0.000 1.236 2373 L HN 0.461 nan 8.230 nan 0.000 0.419 2374 L N 4.857 126.176 121.223 0.159 0.000 2.265 2374 L HA 0.459 4.799 4.340 0.000 0.000 0.289 2374 L C -0.202 176.747 176.870 0.133 0.000 1.033 2374 L CA -0.317 54.650 54.840 0.211 0.000 0.814 2374 L CB 1.306 43.569 42.059 0.340 0.000 1.203 2374 L HN 0.479 nan 8.230 nan 0.000 0.423 2375 M N 2.569 122.169 119.600 -0.000 0.000 2.363 2375 M HA 0.517 4.997 4.480 0.000 0.000 0.343 2375 M C 0.268 176.285 176.300 -0.472 0.000 1.165 2375 M CA -0.376 54.740 55.300 -0.307 0.000 1.046 2375 M CB 1.581 33.922 32.600 -0.431 0.000 1.648 2375 M HN 0.582 nan 8.290 nan 0.000 0.452 2376 G N 2.892 111.265 108.800 -0.712 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 -0.679 0.000 1.316 2376 G CA -0.239 44.223 45.100 -1.063 0.000 0.944 2376 G HN 0.594 nan 8.290 nan 0.000 0.489 2377 Y N 0.159 120.487 120.300 0.046 0.000 2.485 2377 Y HA 0.581 5.131 4.550 0.000 0.000 0.345 2377 Y C 0.241 176.392 175.900 0.419 0.000 0.998 2377 Y CA -0.942 57.382 58.100 0.373 0.000 1.059 2377 Y CB 2.847 41.648 38.460 0.569 0.000 1.234 2377 Y HN 0.503 nan 8.280 nan 0.000 0.461 2378 E N 2.575 123.109 120.200 0.555 0.000 2.199 2378 E HA 0.454 4.804 4.350 0.000 0.000 0.265 2378 E C -1.859 174.907 176.600 0.276 0.000 0.882 2378 E CA -0.692 55.876 56.400 0.280 0.000 0.759 2378 E CB 1.317 31.204 29.700 0.311 0.000 1.148 2378 E HN 0.570 nan 8.360 nan 0.000 0.412 2379 Y N 1.656 121.966 120.300 0.017 0.000 2.638 2379 Y HA 0.562 5.112 4.550 0.000 0.000 0.335 2379 Y C -1.900 173.965 175.900 -0.058 0.000 1.155 2379 Y CA -1.479 56.529 58.100 -0.153 0.000 1.046 2379 Y CB 0.998 39.205 38.460 -0.421 0.000 1.303 2379 Y HN 0.301 nan 8.280 nan 0.000 0.460 2380 F N 0.854 120.913 119.950 0.181 0.000 2.480 2380 F HA 0.710 5.237 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 -0.914 57.143 58.000 0.095 0.000 0.972 2380 F CB 2.530 41.529 39.000 -0.001 0.000 1.150 2380 F HN 0.737 nan 8.300 nan 0.000 0.467 2381 T N 1.119 115.837 114.554 0.273 0.000 2.885 2381 T HA 0.277 4.627 4.350 0.000 0.000 0.322 2381 T C -1.124 173.641 174.700 0.108 0.000 1.387 2381 T CA -0.565 61.649 62.100 0.189 0.000 1.041 2381 T CB 1.478 70.437 68.868 0.151 0.000 1.287 2381 T HN 0.480 nan 8.240 nan 0.000 0.491 2382 S N 2.320 118.083 115.700 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 1.042 64.279 63.200 0.061 0.000 0.918 2382 S HN 0.659 nan 8.310 nan 0.000 0.497 2383 R N 1.841 122.359 120.500 0.029 0.000 2.083 2383 R HA -0.108 4.232 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 1.577 57.692 56.100 0.025 0.000 0.951 2383 R CB -0.660 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 0.704 115.283 114.554 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 0.109 68.997 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