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_E DATA FIRST_RESID 2013 DATA SEQUENCE AALRNQQAMA ANLQARQIVL QQSYPVIQQV ETQTFDPANR SVFDVTPANV DATA SEQUENCE GIVKGFLVKV TAAITNNHAT EAVALTDFGP ANLVQRVIYY DPDNQRHTET DATA SEQUENCE SGWHLHFVNT AKQGAPFLSS MVTDSPIKYG DVMNVIDAPA TIAAGATGEL DATA SEQUENCE TMYYWVPLAY SETDLTGAVL ANVPQSKQRL KLEFANNNTA FAAVGANPLE DATA SEQUENCE AIYQGAGAAD CEFEEISYTV YQSYLDQLPV GQNGYILPLI DLSTLYNLEN DATA SEQUENCE SAQAGLTPNV DFVVQYANLY RYLSTIAVFD NGGSFNAGTD INYLSQRTAN DATA SEQUENCE FSDTRKLDPK TWAAQTRRRI ATDFPKGVYY CDNRDKPIYT LQYGNVGFVV DATA SEQUENCE NPKTVNQNAR LLMGYEYFTS RTE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2013 A HA 0.000 nan 4.320 nan 0.000 0.244 2013 A C 0.000 177.588 177.584 0.007 0.000 1.274 2013 A CA 0.000 52.041 52.037 0.006 0.000 0.836 2013 A CB 0.000 19.004 19.000 0.006 0.000 0.831 2014 A N -0.334 122.491 122.820 0.008 0.000 4.029 2014 A HA -0.069 4.251 4.320 0.000 0.000 0.268 2014 A C 2.199 179.786 177.584 0.005 0.000 0.943 2014 A CA 3.040 55.081 52.037 0.008 0.000 1.137 2014 A CB -2.309 16.696 19.000 0.009 0.000 1.074 2014 A HN 2.547 nan 8.150 nan 0.000 0.854 2015 L N -2.135 119.090 121.223 0.004 0.000 2.341 2015 L HA 0.553 4.893 4.340 0.000 0.000 0.214 2015 L C 2.810 179.680 176.870 0.002 0.000 1.115 2015 L CA 2.436 57.277 54.840 0.002 0.000 0.820 2015 L CB -2.437 39.623 42.059 0.003 0.000 0.944 2015 L HN 1.495 nan 8.230 nan 0.000 0.452 2016 R N 0.436 120.938 120.500 0.003 0.000 2.092 2016 R HA -0.148 4.191 4.340 0.000 0.000 0.231 2016 R C 2.032 178.333 176.300 0.000 0.000 1.119 2016 R CA 1.615 57.716 56.100 0.002 0.000 0.970 2016 R CB -1.590 28.713 30.300 0.004 0.000 0.864 2016 R HN 0.853 nan 8.270 nan 0.000 0.440 2017 N N 0.093 118.793 118.700 -0.000 0.000 2.300 2017 N HA -0.151 4.589 4.740 0.000 0.000 0.179 2017 N C 1.926 177.432 175.510 -0.007 0.000 1.016 2017 N CA 1.413 54.461 53.050 -0.004 0.000 0.876 2017 N CB -0.117 38.369 38.487 -0.002 0.000 0.979 2017 N HN 0.698 nan 8.380 nan 0.000 0.432 2018 Q N 1.065 120.861 119.800 -0.005 0.000 2.167 2018 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 2018 Q C 1.751 177.746 176.000 -0.007 0.000 0.970 2018 Q CA 1.183 56.982 55.803 -0.007 0.000 0.855 2018 Q CB 0.204 28.940 28.738 -0.004 0.000 0.911 2018 Q HN 0.428 nan 8.270 nan 0.000 0.438 2019 Q N -0.622 119.175 119.800 -0.005 0.000 2.096 2019 Q HA -0.050 4.290 4.340 0.000 0.000 0.197 2019 Q C 2.147 178.143 176.000 -0.006 0.000 0.964 2019 Q CA 0.980 56.780 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 1.249 124.065 122.820 -0.007 0.000 1.940 2020 A HA -0.200 4.120 4.320 0.000 0.000 0.219 2020 A C 2.119 179.693 177.584 -0.016 0.000 1.176 2020 A CA 1.346 53.377 52.037 -0.009 0.000 0.631 2020 A CB -0.442 18.552 19.000 -0.009 0.000 0.814 2020 A HN 0.248 nan 8.150 nan 0.000 0.446 2021 M N -0.704 118.884 119.600 -0.019 0.000 2.086 2021 M HA -0.153 4.327 4.480 0.000 0.000 0.261 2021 M C 2.577 178.863 176.300 -0.023 0.000 1.067 2021 M CA 1.725 57.009 55.300 -0.027 0.000 1.116 2021 M CB -1.197 31.386 32.600 -0.028 0.000 1.348 2021 M HN 0.504 nan 8.290 nan 0.000 0.407 2022 A N 0.097 122.907 122.820 -0.016 0.000 1.930 2022 A HA 0.039 4.359 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 1.870 53.900 52.037 -0.012 0.000 0.627 2022 A CB -0.789 18.206 19.000 -0.008 0.000 0.815 2022 A HN 0.491 nan 8.150 nan 0.000 0.443 2023 A N 0.302 123.117 122.820 -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 1.665 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 -0.058 118.633 118.700 -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 1.817 54.854 53.050 -0.021 0.000 0.849 2024 N CB -0.240 38.227 38.487 -0.033 0.000 1.012 2024 N HN 0.337 nan 8.380 nan 0.000 0.423 2025 L N 1.963 123.171 121.223 -0.024 0.000 2.046 2025 L HA -0.123 4.217 4.340 0.000 0.000 0.208 2025 L C 2.626 179.488 176.870 -0.014 0.000 1.077 2025 L CA 1.619 56.446 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 0.278 nan 8.230 nan 0.000 0.432 2026 Q N -0.786 119.008 119.800 -0.010 0.000 2.050 2026 Q HA -0.226 4.114 4.340 0.000 0.000 0.202 2026 Q C 2.123 178.122 176.000 -0.003 0.000 0.980 2026 Q CA 1.967 57.767 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 1.193 124.012 122.820 -0.002 0.000 1.933 2027 A HA -0.203 4.117 4.320 0.000 0.000 0.218 2027 A C 2.112 179.693 177.584 -0.004 0.000 1.175 2027 A CA 1.432 53.470 52.037 0.001 0.000 0.628 2027 A CB -0.674 18.329 19.000 0.005 0.000 0.814 2027 A HN 0.429 nan 8.150 nan 0.000 0.444 2028 R N -0.189 120.305 120.500 -0.010 0.000 2.083 2028 R HA -0.217 4.123 4.340 0.000 0.000 0.237 2028 R C 2.285 178.579 176.300 -0.009 0.000 1.137 2028 R CA 2.041 58.133 56.100 -0.012 0.000 0.951 2028 R CB -0.378 29.912 30.300 -0.017 0.000 0.851 2028 R HN 0.714 nan 8.270 nan 0.000 0.434 2029 Q N 0.132 119.927 119.800 -0.008 0.000 2.084 2029 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 2029 Q C 2.275 178.272 176.000 -0.005 0.000 0.978 2029 Q CA 1.808 57.607 55.803 -0.006 0.000 0.844 2029 Q CB -0.149 28.586 28.738 -0.005 0.000 0.898 2029 Q HN 0.447 nan 8.270 nan 0.000 0.426 2030 I N 0.073 120.642 120.570 -0.002 0.000 2.179 2030 I HA -0.261 3.909 4.170 0.000 0.000 0.242 2030 I C 2.261 178.377 176.117 -0.002 0.000 1.088 2030 I CA 0.841 62.142 61.300 0.001 0.000 1.357 2030 I CB -0.336 37.669 38.000 0.008 0.000 1.051 2030 I HN 0.046 nan 8.210 nan 0.000 0.409 2031 V N 1.208 121.118 119.914 -0.007 0.000 2.287 2031 V HA -0.287 3.833 4.120 0.000 0.000 0.248 2031 V C 2.410 178.495 176.094 -0.015 0.000 1.053 2031 V CA 1.835 64.125 62.300 -0.016 0.000 1.027 2031 V CB -0.460 31.349 31.823 -0.024 0.000 0.646 2031 V HN 0.367 nan 8.190 nan 0.000 0.447 2032 L N -0.737 120.479 121.223 -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 1.298 56.130 54.840 -0.014 0.000 0.752 2032 L CB -0.581 41.471 42.059 -0.012 0.000 0.899 2032 L HN 0.334 nan 8.230 nan 0.000 0.433 2033 Q N -0.443 119.351 119.800 -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 1.173 56.971 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 0.319 120.116 119.800 -0.004 0.000 2.204 2034 Q HA 0.039 4.379 4.340 0.000 0.000 0.198 2034 Q C 1.187 177.186 176.000 -0.002 0.000 0.946 2034 Q CA 0.343 56.146 55.803 0.001 0.000 0.859 2034 Q CB 0.036 28.779 28.738 0.009 0.000 0.946 2034 Q HN 0.295 nan 8.270 nan 0.000 0.474 2035 S N -1.023 114.670 115.700 -0.011 0.000 2.608 2035 S HA 0.404 4.874 4.470 0.000 0.000 0.261 2035 S C -0.019 174.569 174.600 -0.020 0.000 1.314 2035 S CA -0.383 57.809 58.200 -0.014 0.000 0.992 2035 S CB 0.084 63.271 63.200 -0.022 0.000 0.935 2035 S HN 0.311 nan 8.310 nan 0.000 0.564 2036 Y N -0.235 120.050 120.300 -0.025 0.000 2.328 2036 Y HA 0.730 5.280 4.550 0.000 0.000 0.336 2036 Y C -2.857 172.991 175.900 -0.086 0.000 0.960 2036 Y CA -3.245 54.828 58.100 -0.044 0.000 1.134 2036 Y CB 0.986 39.426 38.460 -0.033 0.000 1.166 2036 Y HN 0.831 nan 8.280 nan 0.000 0.464 2037 P HA 0.451 nan 4.420 nan 0.000 0.276 2037 P C -0.843 176.325 177.300 -0.220 0.000 1.230 2037 P CA 0.245 63.256 63.100 -0.148 0.000 0.776 2037 P CB 2.170 33.809 31.700 -0.102 0.000 0.888 2038 V N 5.013 124.689 119.914 -0.396 0.000 2.760 2038 V HA 0.453 4.573 4.120 0.000 0.000 0.309 2038 V C 0.069 175.921 176.094 -0.403 0.000 1.077 2038 V CA -0.757 61.262 62.300 -0.469 0.000 0.910 2038 V CB 2.430 33.766 31.823 -0.812 0.000 1.008 2038 V HN 0.523 nan 8.190 nan 0.000 0.424 2039 I N 3.555 124.034 120.570 -0.151 0.000 2.418 2039 I HA 0.629 4.799 4.170 0.000 0.000 0.287 2039 I C -0.695 175.512 176.117 0.151 0.000 1.008 2039 I CA -0.023 61.293 61.300 0.027 0.000 1.104 2039 I CB 1.456 39.477 38.000 0.035 0.000 1.264 2039 I HN 0.836 nan 8.210 nan 0.000 0.438 2040 Q N 6.450 126.431 119.800 0.302 0.000 2.359 2040 Q HA 0.311 4.651 4.340 0.000 0.000 0.274 2040 Q C -1.377 174.841 176.000 0.363 0.000 1.074 2040 Q CA -0.773 55.237 55.803 0.345 0.000 0.810 2040 Q CB 2.210 31.152 28.738 0.340 0.000 1.342 2040 Q HN 0.734 nan 8.270 nan 0.000 0.427 2041 Q N 1.892 121.840 119.800 0.247 0.000 2.337 2041 Q HA 0.163 4.503 4.340 0.000 0.000 0.270 2041 Q C 0.137 176.138 176.000 0.002 0.000 1.002 2041 Q CA 0.159 55.891 55.803 -0.119 0.000 0.888 2041 Q CB 0.965 29.551 28.738 -0.254 0.000 1.222 2041 Q HN 0.641 nan 8.270 nan 0.000 0.400 2042 V N 0.059 119.971 119.914 -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 0.028 0.000 1.324 2042 V CA 0.484 62.819 62.300 0.057 0.000 1.068 2042 V CB 0.332 32.235 31.823 0.133 0.000 0.837 2042 V HN 0.840 nan 8.190 nan 0.000 0.450 2043 E N -0.570 119.627 120.200 -0.005 0.000 2.400 2043 E HA 0.539 4.889 4.350 0.000 0.000 0.285 2043 E C -1.642 174.909 176.600 -0.081 0.000 1.005 2043 E CA -0.310 56.089 56.400 -0.002 0.000 0.816 2043 E CB 2.258 32.017 29.700 0.098 0.000 1.220 2043 E HN 0.231 nan 8.360 nan 0.000 0.426 2044 T N 2.994 117.433 114.554 -0.192 0.000 2.952 2044 T HA 0.469 4.819 4.350 0.000 0.000 0.305 2044 T C -1.250 173.159 174.700 -0.484 0.000 1.064 2044 T CA -0.691 61.194 62.100 -0.360 0.000 1.008 2044 T CB 1.703 70.435 68.868 -0.226 0.000 1.078 2044 T HN 0.385 nan 8.240 nan 0.000 0.459 2045 Q N 0.922 120.228 119.800 -0.823 0.000 2.377 2045 Q HA 0.538 4.878 4.340 0.000 0.000 0.279 2045 Q C -1.378 174.354 176.000 -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 31.168 28.738 -0.672 0.000 1.401 2045 Q HN 0.579 nan 8.270 nan 0.000 0.404 2046 T N 2.621 117.062 114.554 -0.187 0.000 2.824 2046 T HA 0.763 5.113 4.350 0.000 0.000 0.282 2046 T C -1.032 173.684 174.700 0.027 0.000 0.993 2046 T CA -0.427 61.586 62.100 -0.145 0.000 0.967 2046 T CB 0.379 69.169 68.868 -0.131 0.000 0.960 2046 T HN 0.448 nan 8.240 nan 0.000 0.441 2047 F N -0.046 119.819 119.950 -0.142 0.000 2.685 2047 F HA 0.747 5.274 4.527 0.000 0.000 0.315 2047 F C -1.384 174.400 175.800 -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 40.266 39.000 0.097 0.000 1.360 2047 F HN 0.294 nan 8.300 nan 0.000 0.469 2048 D N 1.891 122.402 120.400 0.184 0.000 2.329 2048 D HA 0.428 5.068 4.640 0.000 0.000 0.232 2048 D C -2.094 174.361 176.300 0.258 0.000 1.088 2048 D CA -2.586 51.469 54.000 0.092 0.000 0.835 2048 D CB 2.070 42.933 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 1.063 64.313 63.100 0.250 0.000 0.800 2049 P CB 0.278 31.983 31.700 0.009 0.000 0.772 2050 A N -0.631 122.302 122.820 0.189 0.000 2.015 2050 A HA -0.182 4.138 4.320 0.000 0.000 0.219 2050 A C 2.062 179.720 177.584 0.122 0.000 1.163 2050 A CA 1.592 53.721 52.037 0.153 0.000 0.646 2050 A CB -0.922 18.159 19.000 0.134 0.000 0.806 2050 A HN 0.157 nan 8.150 nan 0.000 0.448 2051 N N -0.374 118.407 118.700 0.135 0.000 2.305 2051 N HA 0.040 4.780 4.740 0.000 0.000 0.179 2051 N C 0.574 176.120 175.510 0.060 0.000 1.019 2051 N CA 1.046 54.153 53.050 0.094 0.000 0.869 2051 N CB 0.078 38.626 38.487 0.103 0.000 1.000 2051 N HN 0.774 nan 8.380 nan 0.000 0.431 2052 R N -1.344 119.215 120.500 0.098 0.000 2.664 2052 R HA 0.436 4.776 4.340 0.000 0.000 0.266 2052 R C -0.539 175.766 176.300 0.010 0.000 1.046 2052 R CA -0.517 55.556 56.100 -0.046 0.000 0.885 2052 R CB 0.888 31.043 30.300 -0.242 0.000 1.254 2052 R HN -0.042 nan 8.270 nan 0.000 0.465 2053 S N -0.456 115.203 115.700 -0.068 0.000 2.744 2053 S HA 0.186 4.656 4.470 0.000 0.000 0.265 2053 S C -0.119 174.558 174.600 0.128 0.000 1.065 2053 S CA -0.164 58.111 58.200 0.126 0.000 1.191 2053 S CB 0.786 64.110 63.200 0.206 0.000 1.150 2053 S HN 0.242 nan 8.310 nan 0.000 0.646 2054 V N 2.992 122.797 119.914 -0.180 0.000 2.398 2054 V HA 0.660 4.779 4.120 0.000 0.000 0.286 2054 V C -1.204 174.620 176.094 -0.451 0.000 1.026 2054 V CA -0.426 61.780 62.300 -0.156 0.000 0.868 2054 V CB 0.794 32.526 31.823 -0.151 0.000 0.982 2054 V HN 0.398 nan 8.190 nan 0.000 0.443 2055 F N 1.642 121.522 119.950 -0.116 0.000 2.563 2055 F HA 0.539 5.066 4.527 0.000 0.000 0.316 2055 F C 0.115 175.835 175.800 -0.133 0.000 1.076 2055 F CA -0.862 57.069 58.000 -0.115 0.000 0.921 2055 F CB 2.076 41.017 39.000 -0.099 0.000 1.209 2055 F HN 0.394 nan 8.300 nan 0.000 0.462 2056 D N 2.415 122.845 120.400 0.050 0.000 2.471 2056 D HA 0.383 5.023 4.640 0.000 0.000 0.245 2056 D C -1.018 175.291 176.300 0.015 0.000 1.116 2056 D CA -0.109 53.882 54.000 -0.015 0.000 0.853 2056 D CB 2.549 43.316 40.800 -0.054 0.000 1.123 2056 D HN 0.107 nan 8.370 nan 0.000 0.540 2057 V N 2.177 122.073 119.914 -0.029 0.000 2.439 2057 V HA 0.259 4.379 4.120 0.000 0.000 0.282 2057 V C 0.600 176.667 176.094 -0.046 0.000 1.039 2057 V CA -0.257 62.034 62.300 -0.015 0.000 0.913 2057 V CB 1.744 33.533 31.823 -0.056 0.000 0.983 2057 V HN 0.462 nan 8.190 nan 0.000 0.460 2058 T N 7.211 121.761 114.554 -0.007 0.000 2.853 2058 T HA 0.371 4.721 4.350 0.000 0.000 0.317 2058 T C -2.128 172.587 174.700 0.026 0.000 1.059 2058 T CA -0.773 61.323 62.100 -0.007 0.000 0.954 2058 T CB 1.036 69.903 68.868 -0.002 0.000 0.994 2058 T HN 0.570 nan 8.240 nan 0.000 0.479 2059 P HA 0.458 nan 4.420 nan 0.000 0.275 2059 P C -0.534 176.823 177.300 0.094 0.000 1.266 2059 P CA -0.650 62.533 63.100 0.139 0.000 0.793 2059 P CB 0.685 32.582 31.700 0.328 0.000 1.074 2060 A N 0.999 123.864 122.820 0.074 0.000 2.371 2060 A HA 0.173 4.493 4.320 0.000 0.000 0.257 2060 A C 0.296 177.852 177.584 -0.047 0.000 1.089 2060 A CA -0.490 51.542 52.037 -0.009 0.000 0.794 2060 A CB -0.697 18.267 19.000 -0.061 0.000 1.029 2060 A HN 0.588 nan 8.150 nan 0.000 0.488 2061 N N 0.862 119.530 118.700 -0.053 0.000 3.083 2061 N HA 0.398 5.138 4.740 0.000 0.000 0.260 2061 N C -1.373 174.075 175.510 -0.103 0.000 1.163 2061 N CA -0.174 52.845 53.050 -0.051 0.000 1.060 2061 N CB 0.649 39.128 38.487 -0.014 0.000 1.345 2061 N HN 0.345 nan 8.380 nan 0.000 0.515 2062 V N 0.960 120.743 119.914 -0.218 0.000 2.483 2062 V HA 0.559 4.679 4.120 0.000 0.000 0.297 2062 V C 1.005 176.973 176.094 -0.210 0.000 1.027 2062 V CA -0.641 61.502 62.300 -0.262 0.000 0.855 2062 V CB 1.051 32.583 31.823 -0.486 0.000 0.995 2062 V HN 0.734 nan 8.190 nan 0.000 0.424 2063 G N 5.288 114.047 108.800 -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 0.506 45.591 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 0.370 4.540 4.170 0.000 0.000 0.291 2064 I C 0.397 176.547 176.117 0.056 0.000 1.018 2064 I CA -0.691 60.620 61.300 0.018 0.000 1.260 2064 I CB 1.554 39.554 38.000 0.001 0.000 1.390 2064 I HN 0.295 nan 8.210 nan 0.000 0.475 2065 V N 7.606 127.527 119.914 0.011 0.000 2.461 2065 V HA 0.150 4.270 4.120 0.000 0.000 0.275 2065 V C 0.877 176.920 176.094 -0.085 0.000 1.047 2065 V CA -0.220 62.054 62.300 -0.043 0.000 0.955 2065 V CB 1.143 32.902 31.823 -0.106 0.000 0.988 2065 V HN 0.747 nan 8.190 nan 0.000 0.471 2066 K N 2.918 123.273 120.400 -0.074 0.000 2.276 2066 K HA 0.471 4.791 4.320 0.000 0.000 0.198 2066 K C 0.825 177.359 176.600 -0.111 0.000 1.052 2066 K CA 0.717 57.003 56.287 -0.001 0.000 0.984 2066 K CB 0.599 33.180 32.500 0.136 0.000 0.836 2066 K HN 0.921 nan 8.250 nan 0.000 0.490 2067 G N -0.172 108.347 108.800 -0.468 0.000 2.317 2067 G HA2 0.360 4.320 3.960 0.000 0.000 0.293 2067 G HA3 0.360 4.320 3.960 0.000 0.000 0.293 2067 G C -1.958 172.094 174.900 -1.413 0.000 1.287 2067 G CA -1.042 43.438 45.100 -1.033 0.000 0.850 2067 G HN -0.013 nan 8.290 nan 0.000 0.515 2068 F N -0.482 118.865 119.950 -1.006 0.000 2.547 2068 F HA 0.658 5.185 4.527 0.000 0.000 0.316 2068 F C -0.248 175.420 175.800 -0.219 0.000 1.121 2068 F CA -0.807 56.953 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 4.490 125.975 121.223 0.438 0.000 2.272 2069 L HA 0.716 5.056 4.340 0.000 0.000 0.289 2069 L C -1.045 176.166 176.870 0.568 0.000 1.032 2069 L CA -0.503 54.732 54.840 0.658 0.000 0.810 2069 L CB 1.103 43.583 42.059 0.702 0.000 1.205 2069 L HN 0.401 nan 8.230 nan 0.000 0.422 2070 V N 5.691 125.902 119.914 0.495 0.000 2.357 2070 V HA 0.394 4.514 4.120 0.000 0.000 0.284 2070 V C 0.061 176.333 176.094 0.297 0.000 1.018 2070 V CA -0.802 61.726 62.300 0.380 0.000 0.841 2070 V CB 1.155 33.138 31.823 0.266 0.000 0.991 2070 V HN 0.718 nan 8.190 nan 0.000 0.437 2071 K N 4.297 124.790 120.400 0.156 0.000 2.201 2071 K HA 0.691 5.011 4.320 0.000 0.000 0.278 2071 K C -1.336 175.243 176.600 -0.035 0.000 1.027 2071 K CA -0.365 55.748 56.287 -0.290 0.000 0.909 2071 K CB 1.534 33.900 32.500 -0.224 0.000 1.062 2071 K HN 0.502 nan 8.250 nan 0.000 0.465 2072 V N 3.504 123.375 119.914 -0.071 0.000 2.531 2072 V HA 0.358 4.478 4.120 0.000 0.000 0.301 2072 V C -0.297 175.810 176.094 0.021 0.000 1.034 2072 V CA -0.841 61.521 62.300 0.103 0.000 0.865 2072 V CB 1.628 33.638 31.823 0.312 0.000 0.995 2072 V HN 1.013 nan 8.190 nan 0.000 0.424 2073 T N 1.264 115.821 114.554 0.004 0.000 2.924 2073 T HA 0.971 5.321 4.350 0.000 0.000 0.291 2073 T C -0.489 174.215 174.700 0.006 0.000 1.045 2073 T CA -0.472 61.635 62.100 0.010 0.000 1.015 2073 T CB 2.344 71.208 68.868 -0.006 0.000 1.103 2073 T HN 1.431 nan 8.240 nan 0.000 0.496 2074 A N 0.480 123.341 122.820 0.068 0.000 2.612 2074 A HA 0.909 5.229 4.320 0.000 0.000 0.293 2074 A C -1.064 176.604 177.584 0.141 0.000 1.075 2074 A CA -0.756 51.353 52.037 0.120 0.000 0.680 2074 A CB 1.183 20.369 19.000 0.309 0.000 1.279 2074 A HN 1.722 nan 8.150 nan 0.000 0.411 2075 A N 1.114 124.023 122.820 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 51.824 52.037 0.094 0.000 0.774 2075 A CB 0.406 19.433 19.000 0.045 0.000 1.198 2075 A HN 0.765 nan 8.150 nan 0.000 0.465 2076 I N 1.948 122.528 120.570 0.018 0.000 2.436 2076 I HA 0.374 4.544 4.170 0.000 0.000 0.289 2076 I C -0.279 175.740 176.117 -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 -0.159 0.000 1.266 2076 I HN 0.560 nan 8.210 nan 0.000 0.434 2077 T N 4.233 118.677 114.554 -0.184 0.000 2.797 2077 T HA 0.241 4.591 4.350 0.000 0.000 0.279 2077 T C -0.183 174.358 174.700 -0.265 0.000 0.991 2077 T CA -0.559 61.433 62.100 -0.181 0.000 0.979 2077 T CB 1.004 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 2.908 121.461 118.700 -0.245 0.000 2.500 2078 N HA 0.139 4.879 4.740 0.000 0.000 0.236 2078 N C 0.409 175.834 175.510 -0.141 0.000 1.022 2078 N CA -0.454 52.448 53.050 -0.247 0.000 0.935 2078 N CB 0.255 38.605 38.487 -0.228 0.000 1.147 2078 N HN 0.395 nan 8.380 nan 0.000 0.512 2079 N N 1.423 120.046 118.700 -0.130 0.000 2.461 2079 N HA -0.085 4.655 4.740 0.000 0.000 0.188 2079 N C -0.162 175.314 175.510 -0.057 0.000 1.134 2079 N CA 0.083 53.082 53.050 -0.086 0.000 0.878 2079 N CB -0.150 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 0.461 119.462 119.070 -0.114 0.000 2.897 2080 H HA 0.158 4.714 4.556 0.000 0.000 0.347 2080 H C 1.287 176.576 175.328 -0.065 0.000 1.068 2080 H CA 0.326 56.324 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 2.753 125.390 122.820 -0.306 0.000 1.930 2081 A HA -0.140 4.180 4.320 0.000 0.000 0.217 2081 A C 1.979 179.582 177.584 0.031 0.000 1.175 2081 A CA 2.118 54.079 52.037 -0.127 0.000 0.627 2081 A CB -0.476 18.414 19.000 -0.184 0.000 0.815 2081 A HN 0.872 nan 8.150 nan 0.000 0.443 2082 T N -4.827 109.869 114.554 0.237 0.000 3.010 2082 T HA 0.194 4.544 4.350 0.000 0.000 0.253 2082 T C 0.295 175.076 174.700 0.135 0.000 0.939 2082 T CA -0.222 61.984 62.100 0.177 0.000 0.910 2082 T CB 0.114 69.059 68.868 0.128 0.000 1.226 2082 T HN 0.215 nan 8.240 nan 0.000 0.508 2083 E N 1.685 121.965 120.200 0.134 0.000 2.242 2083 E HA 0.731 5.081 4.350 0.000 0.000 0.275 2083 E C -0.276 176.241 176.600 -0.140 0.000 1.002 2083 E CA -0.461 55.848 56.400 -0.152 0.000 0.841 2083 E CB 1.950 31.388 29.700 -0.436 0.000 1.109 2083 E HN 0.528 nan 8.360 nan 0.000 0.394 2084 A N 1.617 124.375 122.820 -0.103 0.000 2.239 2084 A HA 0.686 5.006 4.320 0.000 0.000 0.303 2084 A C -0.113 177.421 177.584 -0.083 0.000 1.114 2084 A CA -0.544 51.444 52.037 -0.081 0.000 0.871 2084 A CB 0.761 19.735 19.000 -0.043 0.000 1.201 2084 A HN 0.399 nan 8.150 nan 0.000 0.506 2085 V N -4.017 115.865 119.914 -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 1.110 32.947 31.823 0.022 0.000 1.045 2085 V HN 1.891 nan 8.190 nan 0.000 0.432 2086 A N 2.607 125.567 122.820 0.233 0.000 2.413 2086 A HA 0.861 5.181 4.320 0.000 0.000 0.307 2086 A C -0.580 177.128 177.584 0.208 0.000 1.087 2086 A CA -0.986 51.198 52.037 0.245 0.000 0.750 2086 A CB 1.489 20.551 19.000 0.103 0.000 1.296 2086 A HN 1.089 nan 8.150 nan 0.000 0.423 2087 L N 1.827 123.062 121.223 0.020 0.000 2.514 2087 L HA 0.163 4.503 4.340 0.000 0.000 0.280 2087 L C 1.504 178.278 176.870 -0.161 0.000 1.223 2087 L CA 0.075 54.724 54.840 -0.319 0.000 0.864 2087 L CB 0.551 42.458 42.059 -0.253 0.000 1.118 2087 L HN 1.004 nan 8.230 nan 0.000 0.494 2088 T N -1.954 112.480 114.554 -0.200 0.000 2.770 2088 T HA 0.080 4.430 4.350 0.000 0.000 0.281 2088 T C 0.749 175.374 174.700 -0.125 0.000 0.981 2088 T CA -0.759 61.243 62.100 -0.162 0.000 0.955 2088 T CB 0.751 69.490 68.868 -0.214 0.000 1.060 2088 T HN 0.506 nan 8.240 nan 0.000 0.531 2089 D N -0.264 120.037 120.400 -0.166 0.000 2.178 2089 D HA -0.004 4.636 4.640 0.000 0.000 0.201 2089 D C 1.536 178.000 176.300 0.274 0.000 0.980 2089 D CA 1.035 55.032 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 0.183 120.077 119.950 -0.095 0.000 2.473 2090 F HA 0.243 4.770 4.527 0.000 0.000 0.294 2090 F C 2.189 177.946 175.800 -0.071 0.000 1.103 2090 F CA 0.449 58.430 58.000 -0.032 0.000 1.442 2090 F CB -0.945 38.012 39.000 -0.072 0.000 1.097 2090 F HN -0.022 nan 8.300 nan 0.000 0.547 2091 G N 2.634 111.466 108.800 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 -1.117 173.764 174.900 -0.033 0.000 1.286 2091 G CA 0.559 45.607 45.100 -0.087 0.000 1.004 2091 G HN 0.209 nan 8.290 nan 0.000 0.548 2092 P HA 0.021 nan 4.420 nan 0.000 0.225 2092 P C 1.650 178.956 177.300 0.010 0.000 1.148 2092 P CA 2.402 65.511 63.100 0.015 0.000 0.779 2092 P CB -0.393 31.308 31.700 0.001 0.000 0.780 2093 A N 0.083 122.866 122.820 -0.061 0.000 2.121 2093 A HA -0.105 4.215 4.320 0.000 0.000 0.218 2093 A C 1.860 179.568 177.584 0.207 0.000 1.154 2093 A CA 1.050 53.040 52.037 -0.078 0.000 0.679 2093 A CB -1.015 17.821 19.000 -0.274 0.000 0.795 2093 A HN 0.128 nan 8.150 nan 0.000 0.458 2094 N N -0.326 118.499 118.700 0.207 0.000 2.314 2094 N HA 0.174 4.914 4.740 0.000 0.000 0.200 2094 N C 1.097 176.746 175.510 0.230 0.000 1.135 2094 N CA 0.092 53.288 53.050 0.242 0.000 0.835 2094 N CB 0.044 38.660 38.487 0.216 0.000 0.989 2094 N HN 0.479 nan 8.380 nan 0.000 0.478 2095 L N -0.282 121.111 121.223 0.282 0.000 2.141 2095 L HA -0.018 4.322 4.340 0.000 0.000 0.209 2095 L C 0.350 177.397 176.870 0.295 0.000 1.094 2095 L CA 0.825 55.861 54.840 0.327 0.000 0.763 2095 L CB 0.175 42.449 42.059 0.359 0.000 0.908 2095 L HN -0.112 nan 8.230 nan 0.000 0.437 2096 V N 0.048 120.058 119.914 0.161 0.000 2.370 2096 V HA 0.116 4.236 4.120 0.000 0.000 0.283 2096 V C 0.559 176.548 176.094 -0.175 0.000 1.023 2096 V CA -0.516 61.640 62.300 -0.241 0.000 0.857 2096 V CB 1.654 33.019 31.823 -0.763 0.000 0.985 2096 V HN 0.189 nan 8.190 nan 0.000 0.443 2097 Q N 3.509 123.219 119.800 -0.149 0.000 2.089 2097 Q HA 0.208 4.548 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 1.047 56.807 55.803 -0.072 0.000 0.834 2097 Q CB 0.417 29.150 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 0.582 4.922 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 -0.437 55.509 56.100 -0.256 0.000 0.894 2098 R CB 2.496 32.699 30.300 -0.162 0.000 1.228 2098 R HN -0.158 nan 8.270 nan 0.000 0.460 2099 V N 3.628 123.354 119.914 -0.313 0.000 2.588 2099 V HA 0.598 4.718 4.120 0.000 0.000 0.304 2099 V C -0.860 175.096 176.094 -0.231 0.000 1.042 2099 V CA -0.777 61.333 62.300 -0.317 0.000 0.877 2099 V CB 1.944 33.545 31.823 -0.370 0.000 0.996 2099 V HN 0.538 nan 8.190 nan 0.000 0.425 2100 I N 4.648 125.101 120.570 -0.196 0.000 2.569 2100 I HA 0.485 4.655 4.170 0.000 0.000 0.290 2100 I C -1.139 174.874 176.117 -0.173 0.000 1.088 2100 I CA -0.512 60.677 61.300 -0.184 0.000 1.047 2100 I CB 2.004 39.928 38.000 -0.126 0.000 1.237 2100 I HN 0.648 nan 8.210 nan 0.000 0.421 2101 Y N 6.002 126.080 120.300 -0.370 0.000 2.429 2101 Y HA 0.718 5.268 4.550 0.000 0.000 0.342 2101 Y C -1.732 173.903 175.900 -0.442 0.000 1.004 2101 Y CA -0.877 57.031 58.100 -0.319 0.000 1.075 2101 Y CB 1.394 39.695 38.460 -0.265 0.000 1.214 2101 Y HN 0.471 nan 8.280 nan 0.000 0.455 2102 Y N 4.141 123.877 120.300 -0.941 0.000 2.391 2102 Y HA 0.295 4.845 4.550 0.000 0.000 0.341 2102 Y C -0.263 175.054 175.900 -0.973 0.000 0.965 2102 Y CA -1.131 56.596 58.100 -0.621 0.000 1.067 2102 Y CB 1.302 39.567 38.460 -0.326 0.000 1.199 2102 Y HN 0.719 nan 8.280 nan 0.000 0.450 2103 D N 2.469 122.689 120.400 -0.299 0.000 2.433 2103 D HA 0.240 4.880 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 -2.195 51.737 54.000 -0.113 0.000 1.015 2103 D CB 0.309 41.218 40.800 0.181 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 1.104 64.219 63.100 0.025 0.000 0.808 2104 P CB 0.082 31.808 31.700 0.043 0.000 0.779 2105 D N -1.893 118.543 120.400 0.061 0.000 2.328 2105 D HA 0.019 4.659 4.640 0.000 0.000 0.226 2105 D C 0.334 176.671 176.300 0.061 0.000 1.066 2105 D CA 0.189 54.225 54.000 0.059 0.000 0.861 2105 D CB -1.028 39.818 40.800 0.077 0.000 0.912 2105 D HN 0.209 nan 8.370 nan 0.000 0.521 2106 N N 0.366 119.102 118.700 0.060 0.000 2.782 2106 N HA -0.245 4.495 4.740 0.000 0.000 0.251 2106 N C -0.223 175.405 175.510 0.197 0.000 1.101 2106 N CA 0.075 53.171 53.050 0.076 0.000 0.764 2106 N CB -0.413 38.072 38.487 -0.004 0.000 1.122 2106 N HN 0.135 nan 8.380 nan 0.000 0.561 2107 Q N 1.612 121.530 119.800 0.197 0.000 2.261 2107 Q HA 0.268 4.608 4.340 0.000 0.000 0.252 2107 Q C -0.240 175.892 176.000 0.220 0.000 0.915 2107 Q CA -0.280 55.639 55.803 0.194 0.000 0.915 2107 Q CB 0.903 29.724 28.738 0.138 0.000 1.204 2107 Q HN 0.260 nan 8.270 nan 0.000 0.421 2108 R N 3.722 124.276 120.500 0.089 0.000 2.438 2108 R HA 0.194 4.534 4.340 0.000 0.000 0.287 2108 R C -0.107 176.167 176.300 -0.044 0.000 1.077 2108 R CA 0.062 56.041 56.100 -0.201 0.000 1.034 2108 R CB 0.415 30.557 30.300 -0.263 0.000 0.993 2108 R HN 0.876 nan 8.270 nan 0.000 0.459 2109 H N 1.030 120.016 119.070 -0.140 0.000 4.873 2109 H HA 0.148 4.704 4.556 0.000 0.000 0.150 2109 H C 0.037 175.262 175.328 -0.173 0.000 1.395 2109 H CA -0.461 55.545 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 0.442 nan 8.280 nan 0.000 0.374 2110 T N 1.792 116.323 114.554 -0.038 0.000 2.928 2110 T HA 0.011 4.361 4.350 0.000 0.000 0.305 2110 T C 0.251 174.858 174.700 -0.154 0.000 1.035 2110 T CA 0.607 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 -0.135 0.000 2.649 2111 E HA 0.334 4.684 4.350 0.000 0.000 0.310 2111 E C -0.997 175.548 176.600 -0.092 0.000 1.036 2111 E CA -0.328 56.000 56.400 -0.120 0.000 0.772 2111 E CB 1.097 30.746 29.700 -0.085 0.000 1.513 2111 E HN 0.665 nan 8.360 nan 0.000 0.384 2112 T N 0.464 114.933 114.554 -0.143 0.000 2.671 2112 T HA 0.407 4.757 4.350 0.000 0.000 0.300 2112 T C -0.894 173.649 174.700 -0.263 0.000 1.238 2112 T CA -0.171 61.837 62.100 -0.153 0.000 1.020 2112 T CB 1.212 70.052 68.868 -0.047 0.000 1.503 2112 T HN 0.356 nan 8.240 nan 0.000 0.497 2113 S N -0.064 115.394 115.700 -0.403 0.000 2.610 2113 S HA 0.494 4.964 4.470 0.000 0.000 0.273 2113 S C 1.604 175.894 174.600 -0.516 0.000 1.274 2113 S CA 0.014 57.892 58.200 -0.538 0.000 1.023 2113 S CB 0.929 63.515 63.200 -1.023 0.000 0.962 2113 S HN 1.063 nan 8.310 nan 0.000 0.523 2114 G N 1.303 109.875 108.800 -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 1.317 176.178 174.900 -0.064 0.000 1.158 2114 G CA 0.778 45.709 45.100 -0.281 0.000 0.771 2114 G HN 0.960 nan 8.290 nan 0.000 0.545 2115 W N 0.209 121.456 121.300 -0.088 0.000 2.363 2115 W HA -0.055 4.605 4.660 0.000 0.000 0.296 2115 W C 1.798 178.003 176.519 -0.522 0.000 1.212 2115 W CA 0.877 57.976 57.345 -0.410 0.000 1.260 2115 W CB -1.088 28.098 29.460 -0.456 0.000 1.131 2115 W HN 0.424 nan 8.180 nan 0.000 0.530 2116 H N 1.172 119.825 119.070 -0.695 0.000 2.326 2116 H HA -0.178 4.378 4.556 0.000 0.000 0.301 2116 H C 2.365 177.568 175.328 -0.209 0.000 1.081 2116 H CA 1.768 57.558 56.048 -0.431 0.000 1.334 2116 H CB -0.097 29.221 29.762 -0.741 0.000 1.385 2116 H HN 0.104 nan 8.280 nan 0.000 0.504 2117 L N 1.030 122.010 121.223 -0.403 0.000 2.042 2117 L HA -0.206 4.134 4.340 0.000 0.000 0.210 2117 L C 2.540 179.305 176.870 -0.174 0.000 1.076 2117 L CA 2.424 57.065 54.840 -0.332 0.000 0.749 2117 L CB -1.153 40.775 42.059 -0.219 0.000 0.893 2117 L HN 0.370 nan 8.230 nan 0.000 0.432 2118 H N -1.061 117.923 119.070 -0.143 0.000 2.353 2118 H HA -0.183 4.373 4.556 0.000 0.000 0.300 2118 H C 1.930 177.233 175.328 -0.042 0.000 1.090 2118 H CA 2.223 58.185 56.048 -0.144 0.000 1.327 2118 H CB -0.548 29.106 29.762 -0.181 0.000 1.383 2118 H HN 0.468 nan 8.280 nan 0.000 0.508 2119 F N -0.766 119.089 119.950 -0.157 0.000 2.216 2119 F HA -0.156 4.371 4.527 0.000 0.000 0.300 2119 F C 2.510 178.256 175.800 -0.089 0.000 1.085 2119 F CA 0.541 58.499 58.000 -0.070 0.000 1.326 2119 F CB -0.035 38.958 39.000 -0.011 0.000 1.027 2119 F HN 0.083 nan 8.300 nan 0.000 0.497 2120 V N 0.249 120.162 119.914 -0.001 0.000 2.453 2120 V HA -0.283 3.837 4.120 0.000 0.000 0.247 2120 V C 1.640 177.673 176.094 -0.101 0.000 1.048 2120 V CA 1.954 64.232 62.300 -0.036 0.000 1.049 2120 V CB -0.783 30.950 31.823 -0.149 0.000 0.672 2120 V HN 0.378 nan 8.190 nan 0.000 0.457 2121 N N -0.267 118.277 118.700 -0.259 0.000 2.104 2121 N HA -0.184 4.556 4.740 0.000 0.000 0.190 2121 N C 1.840 177.202 175.510 -0.246 0.000 1.024 2121 N CA 1.791 54.557 53.050 -0.473 0.000 0.853 2121 N CB -0.208 37.551 38.487 -1.212 0.000 1.008 2121 N HN 0.411 nan 8.380 nan 0.000 0.424 2122 T N 0.601 115.045 114.554 -0.184 0.000 2.708 2122 T HA -0.102 4.248 4.350 0.000 0.000 0.266 2122 T C 2.066 176.731 174.700 -0.059 0.000 1.037 2122 T CA 1.218 63.285 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 0.333 nan 8.240 nan 0.000 0.435 2123 A N 1.643 124.438 122.820 -0.041 0.000 1.908 2123 A HA -0.157 4.163 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 1.693 53.672 52.037 -0.097 0.000 0.627 2123 A CB -0.423 18.486 19.000 -0.151 0.000 0.818 2123 A HN 0.477 nan 8.150 nan 0.000 0.445 2124 K N -0.961 119.436 120.400 -0.004 0.000 2.296 2124 K HA -0.083 4.237 4.320 0.000 0.000 0.200 2124 K C 2.224 178.811 176.600 -0.021 0.000 1.048 2124 K CA 1.134 57.412 56.287 -0.015 0.000 0.966 2124 K CB -0.031 32.435 32.500 -0.057 0.000 0.754 2124 K HN 0.695 nan 8.250 nan 0.000 0.466 2125 Q N -0.043 119.761 119.800 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 1.216 57.030 55.803 0.018 0.000 0.863 2125 Q CB 0.378 29.179 28.738 0.104 0.000 0.944 2125 Q HN 0.389 nan 8.270 nan 0.000 0.465 2126 G N -0.524 108.258 108.800 -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 0.163 45.236 45.100 -0.044 0.000 0.660 2126 G HN 0.832 nan 8.290 nan 0.000 0.525 2127 A N -1.317 121.458 122.820 -0.074 0.000 2.567 2127 A HA 0.786 5.106 4.320 0.000 0.000 0.291 2127 A C -3.152 174.395 177.584 -0.061 0.000 1.048 2127 A CA -0.695 51.290 52.037 -0.087 0.000 0.661 2127 A CB 0.624 19.585 19.000 -0.066 0.000 1.288 2127 A HN 0.170 nan 8.150 nan 0.000 0.424 2128 P HA 0.124 nan 4.420 nan 0.000 0.258 2128 P C -0.362 176.999 177.300 0.101 0.000 1.172 2128 P CA 0.535 63.645 63.100 0.017 0.000 0.762 2128 P CB -0.134 31.578 31.700 0.021 0.000 0.764 2129 F N 5.802 125.748 119.950 -0.008 0.000 2.593 2129 F HA -0.058 4.469 4.527 0.000 0.000 0.393 2129 F C 1.142 176.960 175.800 0.031 0.000 1.037 2129 F CA 0.342 58.349 58.000 0.012 0.000 1.195 2129 F CB -0.461 38.567 39.000 0.047 0.000 1.034 2129 F HN 0.271 nan 8.300 nan 0.000 0.552 2130 L N 3.561 124.446 121.223 -0.563 0.000 3.839 2130 L HA -0.321 4.019 4.340 0.000 0.000 0.416 2130 L C 0.614 177.339 176.870 -0.241 0.000 1.195 2130 L CA 0.553 55.071 54.840 -0.537 0.000 0.946 2130 L CB -2.381 39.205 42.059 -0.789 0.000 1.891 2130 L HN 0.721 nan 8.230 nan 0.000 0.963 2131 S N -1.863 113.759 115.700 -0.131 0.000 2.632 2131 S HA 0.532 5.002 4.470 0.000 0.000 0.267 2131 S C 0.301 174.855 174.600 -0.078 0.000 1.276 2131 S CA -0.058 58.102 58.200 -0.067 0.000 0.998 2131 S CB 2.195 65.381 63.200 -0.024 0.000 0.953 2131 S HN 0.270 nan 8.310 nan 0.000 0.547 2132 S N 1.881 117.551 115.700 -0.050 0.000 2.438 2132 S HA 0.454 4.924 4.470 0.000 0.000 0.316 2132 S C -0.051 174.529 174.600 -0.034 0.000 1.084 2132 S CA -1.015 57.159 58.200 -0.043 0.000 1.107 2132 S CB -0.389 62.797 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 -0.045 0.000 2.242 2133 M HA 0.562 5.042 4.480 0.000 0.000 0.344 2133 M C -0.904 175.378 176.300 -0.030 0.000 1.140 2133 M CA -0.444 54.831 55.300 -0.042 0.000 1.160 2133 M CB 0.609 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 2.866 122.767 119.914 -0.022 0.000 2.439 2134 V HA 0.584 4.704 4.120 0.000 0.000 0.282 2134 V C 0.498 176.582 176.094 -0.017 0.000 1.039 2134 V CA -0.136 62.158 62.300 -0.010 0.000 0.913 2134 V CB 1.125 32.946 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 0.264 174.966 174.700 0.004 0.000 1.099 2135 T CA -0.249 61.842 62.100 -0.015 0.000 1.011 2135 T CB 1.893 70.737 68.868 -0.039 0.000 1.291 2135 T HN 0.622 nan 8.240 nan 0.000 0.523 2136 D N -0.158 120.243 120.400 0.002 0.000 2.328 2136 D HA 0.079 4.719 4.640 0.000 0.000 0.226 2136 D C 0.637 176.953 176.300 0.026 0.000 1.066 2136 D CA -0.194 53.813 54.000 0.011 0.000 0.861 2136 D CB -0.345 40.458 40.800 0.005 0.000 0.912 2136 D HN 0.384 nan 8.370 nan 0.000 0.521 2137 S N 1.808 117.532 115.700 0.041 0.000 2.525 2137 S HA 0.091 4.561 4.470 0.000 0.000 0.285 2137 S C -1.046 173.607 174.600 0.088 0.000 1.283 2137 S CA -0.931 57.319 58.200 0.082 0.000 1.072 2137 S CB 1.016 64.309 63.200 0.156 0.000 0.867 2137 S HN 0.097 nan 8.310 nan 0.000 0.492 2138 P HA 0.071 nan 4.420 nan 0.000 0.225 2138 P C 0.136 177.453 177.300 0.029 0.000 1.156 2138 P CA 0.309 63.433 63.100 0.039 0.000 0.787 2138 P CB -0.031 31.683 31.700 0.025 0.000 0.802 2139 I N 1.115 121.716 120.570 0.052 0.000 2.648 2139 I HA -0.022 4.148 4.170 0.000 0.000 0.284 2139 I C 1.359 177.424 176.117 -0.087 0.000 1.153 2139 I CA 0.290 61.563 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 6.516 126.809 120.400 -0.179 0.000 3.233 2140 K HA 0.078 4.398 4.320 0.000 0.000 0.283 2140 K C -0.722 175.784 176.600 -0.157 0.000 1.209 2140 K CA 0.006 56.215 56.287 -0.129 0.000 1.197 2140 K CB -0.547 31.896 32.500 -0.096 0.000 1.431 2140 K HN 0.385 nan 8.250 nan 0.000 0.326 2141 Y N 0.353 120.641 120.300 -0.020 0.000 2.281 2141 Y HA 0.317 4.867 4.550 0.000 0.000 0.337 2141 Y C 1.543 177.429 175.900 -0.023 0.000 1.304 2141 Y CA 0.541 58.626 58.100 -0.025 0.000 1.465 2141 Y CB 0.934 39.377 38.460 -0.028 0.000 1.350 2141 Y HN 0.428 nan 8.280 nan 0.000 0.575 2142 G N 0.159 109.053 108.800 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 -1.775 173.149 174.900 0.039 0.000 1.335 2142 G CA -0.827 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 0.574 120.987 120.400 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 0.086 54.094 54.000 0.012 0.000 0.992 2143 D CB 0.710 41.517 40.800 0.012 0.000 1.058 2143 D HN 0.250 nan 8.370 nan 0.000 0.516 2144 V N 2.832 122.751 119.914 0.008 0.000 2.685 2144 V HA -0.028 4.092 4.120 0.000 0.000 0.244 2144 V C 1.860 177.956 176.094 0.003 0.000 1.054 2144 V CA 0.790 63.092 62.300 0.002 0.000 1.076 2144 V CB -0.128 31.692 31.823 -0.005 0.000 0.725 2144 V HN 0.558 nan 8.190 nan 0.000 0.467 2145 M N -0.466 119.135 119.600 0.001 0.000 2.371 2145 M HA 0.292 4.772 4.480 0.000 0.000 0.246 2145 M C 0.364 176.677 176.300 0.022 0.000 1.103 2145 M CA 0.072 55.376 55.300 0.006 0.000 1.010 2145 M CB -0.594 32.001 32.600 -0.009 0.000 1.457 2145 M HN 0.378 nan 8.290 nan 0.000 0.486 2146 N N 1.192 119.905 118.700 0.020 0.000 2.699 2146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 2146 N C 1.029 176.577 175.510 0.063 0.000 0.993 2146 N CA 0.275 53.347 53.050 0.037 0.000 0.759 2146 N CB -1.228 37.286 38.487 0.045 0.000 0.906 2146 N HN 0.155 nan 8.380 nan 0.000 0.541 2147 V N -0.224 119.711 119.914 0.034 0.000 2.287 2147 V HA -0.114 4.006 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 1.564 63.897 62.300 0.055 0.000 1.027 2147 V CB 0.014 31.751 31.823 -0.143 0.000 0.646 2147 V HN 0.409 nan 8.190 nan 0.000 0.447 2148 I N 0.486 121.107 120.570 0.085 0.000 2.410 2148 I HA 0.486 4.656 4.170 0.000 0.000 0.286 2148 I C -1.130 175.023 176.117 0.061 0.000 1.009 2148 I CA -0.300 61.059 61.300 0.098 0.000 1.111 2148 I CB 1.728 39.768 38.000 0.067 0.000 1.262 2148 I HN 0.230 nan 8.210 nan 0.000 0.443 2149 D N 5.487 125.928 120.400 0.068 0.000 2.736 2149 D HA 0.801 5.441 4.640 0.000 0.000 0.223 2149 D C -1.591 174.753 176.300 0.073 0.000 1.231 2149 D CA -0.320 53.718 54.000 0.062 0.000 0.818 2149 D CB 2.321 43.160 40.800 0.065 0.000 1.587 2149 D HN 0.675 nan 8.370 nan 0.000 0.463 2150 A N 2.573 125.439 122.820 0.077 0.000 2.532 2150 A HA 0.625 4.945 4.320 0.000 0.000 0.296 2150 A C -2.822 174.841 177.584 0.131 0.000 1.058 2150 A CA -1.152 50.955 52.037 0.117 0.000 0.729 2150 A CB 1.401 20.452 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 0.978 178.405 177.300 0.212 0.000 1.204 2151 P CA 0.446 63.640 63.100 0.158 0.000 0.768 2151 P CB 1.324 33.098 31.700 0.123 0.000 0.842 2152 A N 3.509 126.411 122.820 0.136 0.000 1.978 2152 A HA -0.027 4.293 4.320 0.000 0.000 0.220 2152 A C 1.101 178.800 177.584 0.192 0.000 1.170 2152 A CA 1.871 53.982 52.037 0.123 0.000 0.636 2152 A CB -0.926 18.118 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 -0.861 173.866 174.700 0.045 0.000 1.158 2153 T CA -0.625 61.565 62.100 0.150 0.000 1.007 2153 T CB 1.514 70.424 68.868 0.069 0.000 1.186 2153 T HN 0.177 nan 8.240 nan 0.000 0.499 2154 I N 1.703 122.225 120.570 -0.080 0.000 2.439 2154 I HA 0.576 4.746 4.170 0.000 0.000 0.283 2154 I C 0.664 176.703 176.117 -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 4.663 127.434 122.820 -0.082 0.000 2.327 2155 A HA 0.699 5.019 4.320 0.000 0.000 0.255 2155 A C 0.624 178.169 177.584 -0.066 0.000 1.099 2155 A CA -0.244 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 0.835 nan 8.150 nan 0.000 0.496 2156 A N -0.361 122.437 122.820 -0.037 0.000 2.548 2156 A HA 0.467 4.787 4.320 0.000 0.000 0.247 2156 A C 1.598 179.164 177.584 -0.030 0.000 1.067 2156 A CA 0.854 52.883 52.037 -0.014 0.000 0.757 2156 A CB -1.089 17.929 19.000 0.029 0.000 0.996 2156 A HN 2.735 nan 8.150 nan 0.000 0.504 2157 G N 0.897 109.671 108.800 -0.044 0.000 2.199 2157 G HA2 0.123 4.083 3.960 0.000 0.000 0.254 2157 G HA3 0.123 4.083 3.960 0.000 0.000 0.254 2157 G C 0.580 175.445 174.900 -0.057 0.000 0.982 2157 G CA 0.588 45.659 45.100 -0.049 0.000 0.632 2157 G HN 2.158 nan 8.290 nan 0.000 0.529 2158 A N -0.493 122.285 122.820 -0.071 0.000 2.264 2158 A HA 0.846 5.166 4.320 0.000 0.000 0.304 2158 A C 0.275 177.802 177.584 -0.096 0.000 1.100 2158 A CA 0.702 52.696 52.037 -0.072 0.000 0.839 2158 A CB 1.029 19.989 19.000 -0.067 0.000 1.121 2158 A HN 0.716 nan 8.150 nan 0.000 0.496 2159 T N 0.510 115.018 114.554 -0.077 0.000 2.812 2159 T HA 0.618 4.968 4.350 0.000 0.000 0.282 2159 T C 0.167 174.829 174.700 -0.063 0.000 0.990 2159 T CA 0.054 62.107 62.100 -0.079 0.000 0.960 2159 T CB 1.555 70.394 68.868 -0.049 0.000 0.948 2159 T HN 1.043 nan 8.240 nan 0.000 0.438 2160 G N 1.850 110.603 108.800 -0.077 0.000 2.420 2160 G HA2 0.647 4.607 3.960 0.000 0.000 0.331 2160 G HA3 0.647 4.607 3.960 0.000 0.000 0.331 2160 G C -0.948 173.965 174.900 0.022 0.000 1.168 2160 G CA -0.604 44.479 45.100 -0.029 0.000 0.936 2160 G HN 0.489 nan 8.290 nan 0.000 0.479 2161 E N 0.962 121.193 120.200 0.051 0.000 2.171 2161 E HA 0.446 4.796 4.350 0.000 0.000 0.271 2161 E C -0.384 176.276 176.600 0.099 0.000 0.916 2161 E CA -0.399 56.042 56.400 0.068 0.000 0.774 2161 E CB 2.375 32.104 29.700 0.048 0.000 1.128 2161 E HN 0.312 nan 8.360 nan 0.000 0.403 2162 L N 1.014 122.308 121.223 0.118 0.000 2.341 2162 L HA 0.666 5.006 4.340 0.000 0.000 0.267 2162 L C -0.063 176.867 176.870 0.099 0.000 1.009 2162 L CA -0.885 54.032 54.840 0.128 0.000 0.819 2162 L CB 2.063 44.230 42.059 0.180 0.000 1.323 2162 L HN 0.316 nan 8.230 nan 0.000 0.425 2163 T N 2.205 116.812 114.554 0.089 0.000 2.921 2163 T HA 0.670 5.020 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 61.718 62.100 0.071 0.000 0.990 2163 T CB 2.230 71.162 68.868 0.106 0.000 1.023 2163 T HN 0.494 nan 8.240 nan 0.000 0.447 2164 M N 3.049 122.652 119.600 0.005 0.000 2.484 2164 M HA 0.690 5.170 4.480 0.000 0.000 0.289 2164 M C -2.388 173.845 176.300 -0.112 0.000 1.206 2164 M CA -0.735 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 2.564 122.818 120.300 -0.076 0.000 2.477 2165 Y HA 0.694 5.244 4.550 0.000 0.000 0.347 2165 Y C -1.572 174.360 175.900 0.054 0.000 0.981 2165 Y CA -0.349 57.817 58.100 0.109 0.000 1.033 2165 Y CB 2.084 40.663 38.460 0.199 0.000 1.245 2165 Y HN 0.619 nan 8.280 nan 0.000 0.455 2166 Y N 1.324 121.910 120.300 0.477 0.000 2.477 2166 Y HA 0.268 4.818 4.550 0.000 0.000 0.347 2166 Y C -0.945 175.178 175.900 0.372 0.000 0.981 2166 Y CA -1.507 56.778 58.100 0.307 0.000 1.033 2166 Y CB 1.958 40.477 38.460 0.098 0.000 1.245 2166 Y HN 0.644 nan 8.280 nan 0.000 0.455 2167 W N 5.182 126.580 121.300 0.164 0.000 2.329 2167 W HA 0.653 5.313 4.660 0.000 0.000 0.312 2167 W C -1.834 174.711 176.519 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 30.906 29.460 0.075 0.000 1.255 2167 W HN 0.302 nan 8.180 nan 0.000 0.436 2168 V N 9.449 129.067 119.914 -0.494 0.000 2.334 2168 V HA 0.182 4.302 4.120 0.000 0.000 0.267 2168 V C -1.592 174.008 176.094 -0.822 0.000 1.040 2168 V CA -1.579 60.440 62.300 -0.468 0.000 0.866 2168 V CB 0.908 32.577 31.823 -0.256 0.000 1.019 2168 V HN 0.365 nan 8.190 nan 0.000 0.468 2169 P HA 0.371 nan 4.420 nan 0.000 0.284 2169 P C 0.068 177.244 177.300 -0.207 0.000 1.253 2169 P CA -0.275 62.637 63.100 -0.313 0.000 0.800 2169 P CB 2.442 34.260 31.700 0.198 0.000 0.961 2170 L N 1.480 122.637 121.223 -0.110 0.000 2.675 2170 L HA 0.317 4.657 4.340 0.000 0.000 0.178 2170 L C 1.387 178.394 176.870 0.229 0.000 1.135 2170 L CA 0.119 54.918 54.840 -0.068 0.000 0.855 2170 L CB -0.836 41.063 42.059 -0.267 0.000 1.235 2170 L HN 0.325 nan 8.230 nan 0.000 0.499 2171 A N -0.932 122.001 122.820 0.189 0.000 2.407 2171 A HA -0.011 4.309 4.320 0.000 0.000 0.248 2171 A C 0.544 178.319 177.584 0.319 0.000 1.082 2171 A CA -0.001 52.173 52.037 0.228 0.000 0.785 2171 A CB -0.014 19.078 19.000 0.153 0.000 1.020 2171 A HN 0.360 nan 8.150 nan 0.000 0.489 2172 Y N 2.212 122.534 120.300 0.036 0.000 2.181 2172 Y HA -0.028 4.522 4.550 0.000 0.000 0.288 2172 Y C 1.226 177.112 175.900 -0.024 0.000 1.146 2172 Y CA 1.731 59.680 58.100 -0.252 0.000 1.164 2172 Y CB 0.015 38.332 38.460 -0.239 0.000 0.982 2172 Y HN 0.874 nan 8.280 nan 0.000 0.515 2173 S N -2.466 113.231 115.700 -0.004 0.000 2.727 2173 S HA 0.264 4.734 4.470 0.000 0.000 0.278 2173 S C 0.305 174.907 174.600 0.004 0.000 1.186 2173 S CA -0.648 57.503 58.200 -0.081 0.000 0.836 2173 S CB 1.096 64.223 63.200 -0.123 0.000 1.186 2173 S HN 0.077 nan 8.310 nan 0.000 0.499 2174 E N 1.108 121.281 120.200 -0.045 0.000 2.274 2174 E HA -0.005 4.345 4.350 0.000 0.000 0.194 2174 E C 1.678 178.271 176.600 -0.012 0.000 0.996 2174 E CA 1.820 58.198 56.400 -0.037 0.000 0.840 2174 E CB -0.321 29.328 29.700 -0.085 0.000 0.772 2174 E HN 0.848 nan 8.360 nan 0.000 0.491 2175 T N -2.483 112.072 114.554 0.002 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 -0.314 61.793 62.100 0.013 0.000 0.957 2175 T CB 0.435 69.308 68.868 0.008 0.000 1.047 2175 T HN -0.209 nan 8.240 nan 0.000 0.511 2176 D N 1.223 121.666 120.400 0.071 0.000 2.461 2176 D HA 0.307 4.947 4.640 0.000 0.000 0.240 2176 D C 0.674 177.022 176.300 0.080 0.000 1.094 2176 D CA -0.679 53.373 54.000 0.087 0.000 0.868 2176 D CB 0.949 41.864 40.800 0.192 0.000 1.062 2176 D HN 0.213 nan 8.370 nan 0.000 0.530 2177 L N 2.439 123.680 121.223 0.030 0.000 2.627 2177 L HA 0.071 4.411 4.340 0.000 0.000 0.233 2177 L C 0.780 177.652 176.870 0.004 0.000 1.144 2177 L CA 0.214 55.071 54.840 0.029 0.000 0.892 2177 L CB -0.407 41.659 42.059 0.012 0.000 1.039 2177 L HN 0.257 nan 8.230 nan 0.000 0.442 2178 T N 0.791 115.311 114.554 -0.057 0.000 2.871 2178 T HA 0.225 4.575 4.350 0.000 0.000 0.296 2178 T C 1.248 175.929 174.700 -0.031 0.000 0.998 2178 T CA 1.086 63.071 62.100 -0.192 0.000 1.162 2178 T CB 0.865 69.391 68.868 -0.569 0.000 0.947 2178 T HN 0.639 nan 8.240 nan 0.000 0.536 2179 G N 2.128 110.941 108.800 0.021 0.000 2.234 2179 G HA2 -0.097 3.863 3.960 0.000 0.000 0.235 2179 G HA3 -0.097 3.863 3.960 0.000 0.000 0.235 2179 G C 0.390 175.402 174.900 0.188 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 0.917 52.993 52.037 0.065 0.000 0.784 2180 A CB 0.784 19.810 19.000 0.044 0.000 1.038 2180 A HN 1.230 nan 8.150 nan 0.000 0.501 2181 V N 1.900 121.833 119.914 0.032 0.000 2.487 2181 V HA 0.301 4.421 4.120 0.000 0.000 0.298 2181 V C -0.553 175.568 176.094 0.046 0.000 1.028 2181 V CA -0.515 61.821 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 5.452 126.707 121.223 0.054 0.000 2.295 2182 L HA 0.663 5.003 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 0.178 55.038 54.840 0.034 0.000 0.830 2182 L CB 0.680 42.761 42.059 0.036 0.000 1.200 2182 L HN 0.743 nan 8.230 nan 0.000 0.438 2183 A N 4.829 127.666 122.820 0.027 0.000 2.937 2183 A HA 0.417 4.737 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 -0.579 18.439 19.000 0.030 0.000 1.133 2183 A HN 0.805 nan 8.150 nan 0.000 0.491 2184 N N 0.493 119.212 118.700 0.032 0.000 2.193 2184 N HA 0.007 4.747 4.740 0.000 0.000 0.210 2184 N C -0.343 175.192 175.510 0.043 0.000 1.215 2184 N CA 0.136 53.211 53.050 0.042 0.000 0.901 2184 N CB -0.006 38.528 38.487 0.079 0.000 1.060 2184 N HN 0.152 nan 8.380 nan 0.000 0.508 2185 V N 3.208 123.145 119.914 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 -0.815 61.504 62.300 0.032 0.000 1.077 2185 V CB -0.323 31.519 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 0.714 32.423 31.700 0.014 0.000 0.848 2187 Q N -0.219 119.584 119.800 0.004 0.000 2.376 2187 Q HA -0.195 4.145 4.340 0.000 0.000 0.187 2187 Q C 0.559 176.557 176.000 -0.004 0.000 0.603 2187 Q CA 1.495 57.298 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 0.975 116.675 115.700 -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 58.257 58.200 -0.004 0.000 1.153 2188 S CB 0.145 63.349 63.200 0.006 0.000 1.009 2188 S HN 0.957 nan 8.310 nan 0.000 0.479 2189 K N 1.519 121.908 120.400 -0.018 0.000 2.154 2189 K HA 0.514 4.834 4.320 0.000 0.000 0.264 2189 K C -0.174 176.403 176.600 -0.039 0.000 1.008 2189 K CA -0.603 55.672 56.287 -0.020 0.000 0.937 2189 K CB 0.709 33.193 32.500 -0.027 0.000 1.002 2189 K HN 0.591 nan 8.250 nan 0.000 0.469 2190 Q N 0.768 120.551 119.800 -0.028 0.000 2.237 2190 Q HA 0.310 4.650 4.340 0.000 0.000 0.219 2190 Q C -0.645 175.276 176.000 -0.131 0.000 0.999 2190 Q CA -0.834 54.914 55.803 -0.092 0.000 0.959 2190 Q CB 1.105 29.872 28.738 0.047 0.000 1.173 2190 Q HN 0.569 nan 8.270 nan 0.000 0.527 2191 R N 0.573 120.922 120.500 -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 1.002 31.235 30.300 -0.112 0.000 1.205 2191 R HN 0.504 nan 8.270 nan 0.000 0.436 2192 L N 4.180 125.289 121.223 -0.190 0.000 2.318 2192 L HA 0.486 4.826 4.340 0.000 0.000 0.277 2192 L C -0.999 175.760 176.870 -0.186 0.000 1.008 2192 L CA -0.196 54.507 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 5.440 125.755 120.400 -0.141 0.000 2.183 2193 K HA 0.620 4.940 4.320 0.000 0.000 0.274 2193 K C -1.521 174.944 176.600 -0.225 0.000 1.009 2193 K CA -0.499 55.709 56.287 -0.132 0.000 0.888 2193 K CB 0.740 33.207 32.500 -0.056 0.000 1.078 2193 K HN 0.690 nan 8.250 nan 0.000 0.459 2194 L N 4.276 125.342 121.223 -0.262 0.000 2.349 2194 L HA 0.371 4.711 4.340 0.000 0.000 0.278 2194 L C -0.581 176.053 176.870 -0.393 0.000 0.996 2194 L CA -0.603 53.950 54.840 -0.479 0.000 0.825 2194 L CB 1.917 43.533 42.059 -0.737 0.000 1.243 2194 L HN 0.618 nan 8.230 nan 0.000 0.412 2195 E N 3.686 123.645 120.200 -0.403 0.000 2.073 2195 E HA 0.371 4.721 4.350 0.000 0.000 0.269 2195 E C -1.026 175.417 176.600 -0.261 0.000 0.917 2195 E CA -0.445 55.831 56.400 -0.207 0.000 0.757 2195 E CB 1.283 30.902 29.700 -0.135 0.000 1.111 2195 E HN 0.264 nan 8.360 nan 0.000 0.410 2196 F N 1.301 121.254 119.950 0.006 0.000 2.375 2196 F HA 0.362 4.889 4.527 0.000 0.000 0.313 2196 F C 1.176 177.001 175.800 0.042 0.000 1.176 2196 F CA -0.638 57.388 58.000 0.044 0.000 1.142 2196 F CB 0.576 39.683 39.000 0.178 0.000 1.275 2196 F HN 0.380 nan 8.300 nan 0.000 0.544 2197 A N 1.532 124.507 122.820 0.258 0.000 2.386 2197 A HA 0.447 4.767 4.320 0.000 0.000 0.246 2197 A C -0.312 177.337 177.584 0.109 0.000 1.089 2197 A CA -0.147 51.993 52.037 0.173 0.000 0.790 2197 A CB -0.078 19.060 19.000 0.231 0.000 1.042 2197 A HN 0.894 nan 8.150 nan 0.000 0.497 2198 N N -1.077 117.731 118.700 0.180 0.000 3.316 2198 N HA 0.217 4.957 4.740 0.000 0.000 0.300 2198 N C -0.204 175.535 175.510 0.381 0.000 1.567 2198 N CA -0.731 52.451 53.050 0.220 0.000 0.821 2198 N CB 0.259 38.854 38.487 0.181 0.000 1.748 2198 N HN 0.295 nan 8.380 nan 0.000 0.603 2199 N N -0.533 118.416 118.700 0.414 0.000 2.520 2199 N HA -0.030 4.710 4.740 0.000 0.000 0.185 2199 N C -0.059 175.633 175.510 0.304 0.000 1.068 2199 N CA 0.669 53.989 53.050 0.449 0.000 0.911 2199 N CB -0.523 38.217 38.487 0.421 0.000 0.961 2199 N HN 0.564 nan 8.380 nan 0.000 0.446 2200 N N -0.860 117.959 118.700 0.200 0.000 2.356 2200 N HA -0.021 4.719 4.740 0.000 0.000 0.178 2200 N C 1.462 177.033 175.510 0.102 0.000 1.075 2200 N CA 0.735 53.873 53.050 0.148 0.000 0.889 2200 N CB 0.416 38.976 38.487 0.121 0.000 0.999 2200 N HN 0.250 nan 8.380 nan 0.000 0.464 2201 T N -3.111 111.486 114.554 0.072 0.000 3.000 2201 T HA 0.316 4.666 4.350 0.000 0.000 0.248 2201 T C 1.832 176.501 174.700 -0.051 0.000 1.034 2201 T CA 0.112 62.237 62.100 0.041 0.000 1.060 2201 T CB 0.097 69.009 68.868 0.073 0.000 0.983 2201 T HN 0.035 nan 8.240 nan 0.000 0.482 2202 A N 0.773 123.453 122.820 -0.234 0.000 2.119 2202 A HA 0.431 4.751 4.320 0.000 0.000 0.216 2202 A C 0.312 177.473 177.584 -0.706 0.000 1.152 2202 A CA 0.113 51.805 52.037 -0.576 0.000 0.708 2202 A CB -0.608 17.831 19.000 -0.936 0.000 0.805 2202 A HN 0.601 nan 8.150 nan 0.000 0.460 2203 F N -0.503 119.507 119.950 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 -0.793 57.249 58.000 0.069 0.000 0.962 2203 F CB 1.655 40.675 39.000 0.034 0.000 1.171 2203 F HN 0.066 nan 8.300 nan 0.000 0.436 2204 A N 2.373 125.310 122.820 0.196 0.000 2.304 2204 A HA 0.848 5.168 4.320 0.000 0.000 0.323 2204 A C -0.099 177.543 177.584 0.096 0.000 1.195 2204 A CA -0.557 51.548 52.037 0.114 0.000 0.826 2204 A CB 0.655 19.691 19.000 0.059 0.000 1.184 2204 A HN 0.896 nan 8.150 nan 0.000 0.496 2205 A N 1.770 124.634 122.820 0.073 0.000 2.346 2205 A HA 0.528 4.848 4.320 0.000 0.000 0.252 2205 A C 0.431 178.032 177.584 0.028 0.000 1.089 2205 A CA -0.303 51.761 52.037 0.045 0.000 0.797 2205 A CB -0.026 18.998 19.000 0.040 0.000 1.047 2205 A HN 1.175 nan 8.150 nan 0.000 0.494 2206 V N 1.055 120.975 119.914 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 1.819 64.122 62.300 0.005 0.000 1.161 2206 V CB 0.050 31.869 31.823 -0.007 0.000 0.916 2206 V HN 1.965 nan 8.190 nan 0.000 0.490 2207 G N 3.209 112.012 108.800 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 0.329 45.431 45.100 0.002 0.000 0.621 2207 G HN 1.517 nan 8.290 nan 0.000 0.524 2208 A N -0.143 122.687 122.820 0.017 0.000 2.287 2208 A HA 0.641 4.961 4.320 0.000 0.000 0.273 2208 A C 0.527 178.127 177.584 0.027 0.000 1.091 2208 A CA 0.185 52.236 52.037 0.023 0.000 0.817 2208 A CB 0.350 19.371 19.000 0.035 0.000 1.069 2208 A HN 0.551 nan 8.150 nan 0.000 0.492 2209 N N 1.068 119.788 118.700 0.033 0.000 2.452 2209 N HA 0.142 4.882 4.740 0.000 0.000 0.266 2209 N C -1.688 173.844 175.510 0.037 0.000 1.175 2209 N CA -1.450 51.633 53.050 0.056 0.000 0.945 2209 N CB 1.007 39.529 38.487 0.058 0.000 1.063 2209 N HN 0.343 nan 8.380 nan 0.000 0.472 2210 P HA -0.026 nan 4.420 nan 0.000 0.255 2210 P C 1.577 178.708 177.300 -0.281 0.000 1.248 2210 P CA -0.100 62.932 63.100 -0.113 0.000 0.807 2210 P CB 0.491 32.103 31.700 -0.145 0.000 1.150 2211 L N 1.658 122.722 121.223 -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 -0.322 0.000 1.084 2211 L CA 2.232 56.796 54.840 -0.461 0.000 0.791 2211 L CB -0.911 41.097 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 0.732 177.360 176.600 0.047 0.000 1.039 2212 E CA 0.578 57.028 56.400 0.084 0.000 0.881 2212 E CB -0.094 29.686 29.700 0.134 0.000 0.970 2212 E HN 0.578 nan 8.360 nan 0.000 0.486 2213 A N 0.873 123.672 122.820 -0.034 0.000 2.271 2213 A HA 0.486 4.806 4.320 0.000 0.000 0.288 2213 A C 1.118 178.671 177.584 -0.052 0.000 1.094 2213 A CA -0.433 51.581 52.037 -0.039 0.000 0.828 2213 A CB 0.507 19.491 19.000 -0.027 0.000 1.091 2213 A HN 0.044 nan 8.150 nan 0.000 0.493 2214 I N -1.516 119.018 120.570 -0.060 0.000 2.810 2214 I HA 0.114 4.284 4.170 0.000 0.000 0.262 2214 I C -0.347 175.590 176.117 -0.301 0.000 1.131 2214 I CA 0.672 61.901 61.300 -0.119 0.000 1.453 2214 I CB -0.013 37.979 38.000 -0.014 0.000 1.161 2214 I HN 0.586 nan 8.210 nan 0.000 0.444 2215 Y N 0.396 120.741 120.300 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 -0.720 57.449 58.100 0.116 0.000 1.044 2215 Y CB 1.789 40.366 38.460 0.196 0.000 1.245 2215 Y HN -0.058 nan 8.280 nan 0.000 0.461 2216 Q N 1.516 121.440 119.800 0.207 0.000 2.359 2216 Q HA 0.761 5.101 4.340 0.000 0.000 0.274 2216 Q C -1.007 175.048 176.000 0.092 0.000 1.074 2216 Q CA -0.630 55.247 55.803 0.122 0.000 0.810 2216 Q CB 2.615 31.381 28.738 0.047 0.000 1.342 2216 Q HN 0.963 nan 8.270 nan 0.000 0.427 2217 G N 0.437 109.267 108.800 0.050 0.000 2.320 2217 G HA2 0.373 4.333 3.960 0.000 0.000 0.297 2217 G HA3 0.373 4.333 3.960 0.000 0.000 0.297 2217 G C -0.376 174.492 174.900 -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 -0.882 121.877 122.820 -0.101 0.000 2.172 2218 A HA 0.368 4.688 4.320 0.000 0.000 0.216 2218 A C 2.156 179.520 177.584 -0.367 0.000 1.154 2218 A CA 2.532 54.463 52.037 -0.177 0.000 0.701 2218 A CB -0.372 18.528 19.000 -0.167 0.000 0.789 2218 A HN 1.934 nan 8.150 nan 0.000 0.465 2219 G N -1.709 106.879 108.800 -0.352 0.000 3.126 2219 G HA2 0.338 4.298 3.960 0.000 0.000 0.224 2219 G HA3 0.338 4.298 3.960 0.000 0.000 0.224 2219 G C 1.303 176.102 174.900 -0.169 0.000 1.142 2219 G CA 0.835 45.667 45.100 -0.445 0.000 0.759 2219 G HN 0.580 nan 8.290 nan 0.000 0.550 2220 A N 1.508 124.265 122.820 -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 2.328 54.343 52.037 -0.037 0.000 0.639 2220 A CB -0.732 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 -0.739 122.095 122.820 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 1.899 53.967 52.037 0.051 0.000 0.643 2221 A CB -0.396 18.649 19.000 0.074 0.000 0.806 2221 A HN 0.450 nan 8.150 nan 0.000 0.451 2222 D N -1.472 118.928 120.400 -0.001 0.000 2.363 2222 D HA 0.188 4.828 4.640 0.000 0.000 0.214 2222 D C -0.158 176.024 176.300 -0.196 0.000 1.093 2222 D CA -0.130 53.840 54.000 -0.050 0.000 0.837 2222 D CB -0.208 40.598 40.800 0.011 0.000 0.948 2222 D HN 0.311 nan 8.370 nan 0.000 0.507 2223 C N 1.765 120.825 119.300 -0.401 0.000 2.539 2223 C HA 0.557 5.017 4.460 0.000 0.000 0.392 2223 C C 0.572 175.096 174.990 -0.778 0.000 1.269 2223 C CA -0.543 57.989 59.018 -0.811 0.000 2.250 2223 C CB 0.143 26.942 27.740 -1.567 0.000 2.584 2223 C HN 0.384 nan 8.230 nan 0.000 0.589 2224 E N 0.982 120.835 120.200 -0.578 0.000 2.390 2224 E HA 0.484 4.834 4.350 0.000 0.000 0.280 2224 E C -1.703 174.882 176.600 -0.024 0.000 0.992 2224 E CA -0.663 55.664 56.400 -0.122 0.000 0.790 2224 E CB 0.684 30.377 29.700 -0.011 0.000 1.248 2224 E HN 0.425 nan 8.360 nan 0.000 0.447 2225 F N 1.724 121.808 119.950 0.223 0.000 2.412 2225 F HA 0.176 4.703 4.527 0.000 0.000 0.348 2225 F C 1.614 177.441 175.800 0.044 0.000 1.102 2225 F CA -0.182 57.906 58.000 0.146 0.000 1.196 2225 F CB 1.195 40.266 39.000 0.117 0.000 1.144 2225 F HN 0.541 nan 8.300 nan 0.000 0.541 2226 E N 1.714 122.031 120.200 0.195 0.000 2.122 2226 E HA -0.021 4.329 4.350 0.000 0.000 0.190 2226 E C 0.009 176.645 176.600 0.059 0.000 0.977 2226 E CA 0.757 57.211 56.400 0.090 0.000 0.820 2226 E CB 0.084 29.809 29.700 0.042 0.000 0.770 2226 E HN 0.824 nan 8.360 nan 0.000 0.462 2227 E N -0.968 119.260 120.200 0.046 0.000 2.403 2227 E HA 0.511 4.861 4.350 0.000 0.000 0.280 2227 E C -1.079 175.361 176.600 -0.266 0.000 1.101 2227 E CA -0.539 55.776 56.400 -0.143 0.000 0.856 2227 E CB 0.879 30.497 29.700 -0.137 0.000 1.303 2227 E HN -0.130 nan 8.360 nan 0.000 0.441 2228 I N 0.893 121.052 120.570 -0.685 0.000 2.686 2228 I HA 0.497 4.667 4.170 0.000 0.000 0.295 2228 I C -0.992 174.653 176.117 -0.786 0.000 1.114 2228 I CA -0.845 59.980 61.300 -0.791 0.000 1.038 2228 I CB 2.388 39.633 38.000 -1.258 0.000 1.238 2228 I HN 0.531 nan 8.210 nan 0.000 0.420 2229 S N 3.818 119.270 115.700 -0.413 0.000 2.548 2229 S HA 0.722 5.192 4.470 0.000 0.000 0.286 2229 S C -1.479 173.038 174.600 -0.138 0.000 1.098 2229 S CA -0.601 57.425 58.200 -0.290 0.000 0.930 2229 S CB 1.969 65.049 63.200 -0.200 0.000 1.070 2229 S HN 0.524 nan 8.310 nan 0.000 0.480 2230 Y N -1.065 119.139 120.300 -0.160 0.000 2.553 2230 Y HA 0.864 5.414 4.550 0.000 0.000 0.347 2230 Y C -0.910 174.957 175.900 -0.055 0.000 1.019 2230 Y CA -0.873 57.189 58.100 -0.063 0.000 1.032 2230 Y CB 1.180 39.658 38.460 0.030 0.000 1.284 2230 Y HN 0.426 nan 8.280 nan 0.000 0.466 2231 T N 2.935 117.601 114.554 0.187 0.000 2.928 2231 T HA 0.501 4.851 4.350 0.000 0.000 0.296 2231 T C -1.451 173.343 174.700 0.157 0.000 1.000 2231 T CA -0.650 61.478 62.100 0.047 0.000 0.989 2231 T CB 1.421 70.257 68.868 -0.054 0.000 1.005 2231 T HN 0.623 nan 8.240 nan 0.000 0.442 2232 V N 4.281 124.268 119.914 0.121 0.000 2.370 2232 V HA 0.450 4.570 4.120 0.000 0.000 0.279 2232 V C -1.054 175.081 176.094 0.068 0.000 1.029 2232 V CA -0.723 61.683 62.300 0.177 0.000 0.870 2232 V CB 0.578 32.509 31.823 0.179 0.000 0.984 2232 V HN 0.809 nan 8.190 nan 0.000 0.451 2233 Y N 3.161 123.642 120.300 0.300 0.000 2.341 2233 Y HA 0.495 5.045 4.550 0.000 0.000 0.337 2233 Y C 0.329 176.408 175.900 0.299 0.000 1.014 2233 Y CA -0.303 57.965 58.100 0.278 0.000 1.111 2233 Y CB 1.687 40.306 38.460 0.266 0.000 1.194 2233 Y HN 0.565 nan 8.280 nan 0.000 0.462 2234 Q N 2.241 122.279 119.800 0.397 0.000 2.290 2234 Q HA 0.444 4.784 4.340 0.000 0.000 0.259 2234 Q C -0.926 175.203 176.000 0.214 0.000 0.941 2234 Q CA -0.577 55.340 55.803 0.190 0.000 0.912 2234 Q CB 1.363 30.242 28.738 0.235 0.000 1.244 2234 Q HN 0.656 nan 8.270 nan 0.000 0.441 2235 S N 4.207 119.941 115.700 0.056 0.000 2.437 2235 S HA 0.647 5.117 4.470 0.000 0.000 0.305 2235 S C -1.377 173.299 174.600 0.128 0.000 1.109 2235 S CA -0.348 57.931 58.200 0.130 0.000 1.099 2235 S CB 0.268 63.657 63.200 0.315 0.000 1.004 2235 S HN 0.573 nan 8.310 nan 0.000 0.475 2236 Y N 1.961 122.252 120.300 -0.015 0.000 2.705 2236 Y HA 0.704 5.254 4.550 0.000 0.000 0.332 2236 Y C -1.878 174.014 175.900 -0.014 0.000 1.221 2236 Y CA -1.563 56.516 58.100 -0.034 0.000 1.059 2236 Y CB 0.862 39.296 38.460 -0.043 0.000 1.298 2236 Y HN 0.413 nan 8.280 nan 0.000 0.459 2237 L N 2.424 123.743 121.223 0.160 0.000 2.313 2237 L HA 0.468 4.808 4.340 0.000 0.000 0.283 2237 L C -0.914 176.048 176.870 0.153 0.000 1.013 2237 L CA -0.541 54.330 54.840 0.051 0.000 0.816 2237 L CB 1.389 43.461 42.059 0.020 0.000 1.236 2237 L HN 0.677 nan 8.230 nan 0.000 0.419 2238 D N 1.626 122.079 120.400 0.087 0.000 2.442 2238 D HA 0.236 4.876 4.640 0.000 0.000 0.254 2238 D C -0.263 176.066 176.300 0.050 0.000 1.069 2238 D CA 0.041 54.122 54.000 0.136 0.000 1.017 2238 D CB 1.097 41.998 40.800 0.169 0.000 1.172 2238 D HN 0.310 nan 8.370 nan 0.000 0.561 2239 Q N -0.054 119.781 119.800 0.057 0.000 2.452 2239 Q HA -0.179 4.161 4.340 0.000 0.000 0.318 2239 Q C -0.541 175.467 176.000 0.014 0.000 1.386 2239 Q CA 0.398 56.228 55.803 0.045 0.000 0.872 2239 Q CB -1.939 26.821 28.738 0.038 0.000 1.151 2239 Q HN 0.454 nan 8.270 nan 0.000 0.417 2240 L N 1.996 123.190 121.223 -0.049 0.000 2.490 2240 L HA 0.122 4.462 4.340 0.000 0.000 0.274 2240 L C -1.049 175.809 176.870 -0.020 0.000 1.201 2240 L CA -1.164 53.584 54.840 -0.152 0.000 0.869 2240 L CB -0.189 41.565 42.059 -0.509 0.000 1.123 2240 L HN 0.026 nan 8.230 nan 0.000 0.484 2241 P HA 0.131 nan 4.420 nan 0.000 0.271 2241 P C -0.832 176.585 177.300 0.194 0.000 1.216 2241 P CA -0.171 62.980 63.100 0.086 0.000 0.771 2241 P CB 1.338 33.064 31.700 0.044 0.000 0.864 2242 V N 2.485 122.513 119.914 0.189 0.000 2.667 2242 V HA 0.768 4.888 4.120 0.000 0.000 0.308 2242 V C 0.903 177.052 176.094 0.091 0.000 1.048 2242 V CA -0.226 62.183 62.300 0.182 0.000 0.928 2242 V CB 1.681 33.572 31.823 0.112 0.000 1.004 2242 V HN 0.891 nan 8.190 nan 0.000 0.444 2243 G N 1.230 110.072 108.800 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 0.571 175.484 174.900 0.022 0.000 1.320 2243 G CA 0.458 45.583 45.100 0.042 0.000 0.982 2243 G HN 0.729 nan 8.290 nan 0.000 0.575 2244 Q N -1.865 117.945 119.800 0.016 0.000 2.084 2244 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 2244 Q C 2.127 178.128 176.000 0.003 0.000 0.978 2244 Q CA 2.414 58.221 55.803 0.007 0.000 0.844 2244 Q CB -1.605 27.138 28.738 0.008 0.000 0.898 2244 Q HN 1.295 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 1.291 176.803 175.510 0.004 0.000 1.141 2245 N CA 0.973 54.027 53.050 0.007 0.000 0.830 2245 N CB -0.191 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 -0.566 108.231 108.800 -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 -0.335 174.599 174.900 0.056 0.000 1.250 2246 G CA -0.408 44.667 45.100 -0.041 0.000 0.926 2246 G HN 0.573 nan 8.290 nan 0.000 0.581 2247 Y N 0.611 120.919 120.300 0.013 0.000 2.729 2247 Y HA 0.238 4.788 4.550 0.000 0.000 0.331 2247 Y C 1.520 177.428 175.900 0.013 0.000 1.208 2247 Y CA -0.169 57.940 58.100 0.015 0.000 1.521 2247 Y CB 0.131 38.601 38.460 0.018 0.000 1.233 2247 Y HN 0.314 nan 8.280 nan 0.000 0.539 2248 I N 6.696 127.379 120.570 0.189 0.000 2.379 2248 I HA 0.151 4.321 4.170 0.000 0.000 0.290 2248 I C -0.551 175.596 176.117 0.050 0.000 1.063 2248 I CA 0.203 61.557 61.300 0.090 0.000 1.351 2248 I CB 0.200 38.238 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 -1.823 53.026 54.840 0.015 0.000 0.827 2249 L CB 2.524 44.597 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 0.640 177.935 177.300 -0.008 0.000 1.428 2250 P CA -0.204 62.891 63.100 -0.009 0.000 0.995 2250 P CB 0.697 32.386 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 -0.145 4.195 4.340 0.000 0.000 0.210 2251 L C 2.381 179.244 176.870 -0.010 0.000 1.092 2251 L CA 1.264 56.105 54.840 0.002 0.000 0.759 2251 L CB -0.568 41.496 42.059 0.008 0.000 0.903 2251 L HN 0.281 nan 8.230 nan 0.000 0.435 2252 I N -0.349 120.205 120.570 -0.028 0.000 2.286 2252 I HA -0.219 3.951 4.170 0.000 0.000 0.245 2252 I C 2.060 178.134 176.117 -0.072 0.000 1.104 2252 I CA 0.970 62.241 61.300 -0.049 0.000 1.397 2252 I CB -0.373 37.589 38.000 -0.064 0.000 1.072 2252 I HN 0.195 nan 8.210 nan 0.000 0.417 2253 D N 1.285 121.641 120.400 -0.074 0.000 2.092 2253 D HA -0.158 4.482 4.640 0.000 0.000 0.193 2253 D C 2.179 178.456 176.300 -0.039 0.000 0.994 2253 D CA 1.421 55.370 54.000 -0.085 0.000 0.828 2253 D CB -0.331 40.434 40.800 -0.058 0.000 0.963 2253 D HN 0.266 nan 8.370 nan 0.000 0.450 2254 L N 0.317 121.535 121.223 -0.008 0.000 2.551 2254 L HA 0.000 4.340 4.340 0.000 0.000 0.228 2254 L C 1.578 178.473 176.870 0.041 0.000 1.153 2254 L CA 0.673 55.529 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 0.015 0.000 2.593 2255 S HA 0.167 4.637 4.470 0.000 0.000 0.236 2255 S C 0.508 175.108 174.600 0.001 0.000 0.991 2255 S CA -0.547 57.665 58.200 0.020 0.000 0.963 2255 S CB 0.162 63.370 63.200 0.013 0.000 0.865 2255 S HN 0.086 nan 8.310 nan 0.000 0.488 2256 T N 2.821 117.364 114.554 -0.019 0.000 2.855 2256 T HA 0.570 4.920 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 3.247 124.465 121.223 -0.009 0.000 2.289 2257 L HA 0.452 4.792 4.340 0.000 0.000 0.285 2257 L C -0.927 176.024 176.870 0.136 0.000 1.049 2257 L CA -1.044 53.767 54.840 -0.049 0.000 0.804 2257 L CB 0.627 42.556 42.059 -0.217 0.000 1.195 2257 L HN 0.624 nan 8.230 nan 0.000 0.428 2258 Y N 4.521 124.867 120.300 0.076 0.000 2.402 2258 Y HA 0.471 5.021 4.550 0.000 0.000 0.332 2258 Y C -0.849 174.997 175.900 -0.091 0.000 0.960 2258 Y CA -1.239 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 5.894 124.164 118.700 -0.717 0.000 2.265 2259 N HA 0.568 5.308 4.740 0.000 0.000 0.300 2259 N C -1.526 173.472 175.510 -0.854 0.000 1.148 2259 N CA -0.648 51.900 53.050 -0.837 0.000 0.772 2259 N CB 2.377 40.347 38.487 -0.862 0.000 1.434 2259 N HN 0.556 nan 8.380 nan 0.000 0.481 2260 L N 0.585 121.511 121.223 -0.496 0.000 2.346 2260 L HA 0.590 4.930 4.340 0.000 0.000 0.276 2260 L C -0.003 176.860 176.870 -0.011 0.000 1.006 2260 L CA -0.548 54.177 54.840 -0.191 0.000 0.817 2260 L CB 1.695 43.609 42.059 -0.242 0.000 1.272 2260 L HN 0.386 nan 8.230 nan 0.000 0.421 2261 E N 2.456 122.790 120.200 0.224 0.000 2.408 2261 E HA 0.381 4.731 4.350 0.000 0.000 0.275 2261 E C -1.479 175.219 176.600 0.164 0.000 0.935 2261 E CA -0.850 55.678 56.400 0.213 0.000 0.775 2261 E CB 3.144 33.044 29.700 0.332 0.000 1.277 2261 E HN 0.670 nan 8.360 nan 0.000 0.455 2262 N N -0.048 118.682 118.700 0.049 0.000 2.405 2262 N HA 0.535 5.275 4.740 0.000 0.000 0.285 2262 N C -1.141 174.405 175.510 0.061 0.000 1.262 2262 N CA -0.578 52.429 53.050 -0.072 0.000 0.773 2262 N CB 2.013 40.340 38.487 -0.265 0.000 1.490 2262 N HN 0.492 nan 8.380 nan 0.000 0.486 2263 S N -1.388 114.356 115.700 0.073 0.000 2.656 2263 S HA 0.886 5.356 4.470 0.000 0.000 0.273 2263 S C -1.556 173.118 174.600 0.124 0.000 1.168 2263 S CA -0.882 57.390 58.200 0.120 0.000 0.817 2263 S CB 1.256 64.558 63.200 0.170 0.000 1.146 2263 S HN 1.091 nan 8.310 nan 0.000 0.475 2264 A N 1.007 123.904 122.820 0.128 0.000 2.393 2264 A HA 0.824 5.144 4.320 0.000 0.000 0.306 2264 A C -1.333 176.333 177.584 0.138 0.000 1.050 2264 A CA -0.740 51.379 52.037 0.138 0.000 0.724 2264 A CB 1.571 20.652 19.000 0.135 0.000 1.248 2264 A HN 0.776 nan 8.150 nan 0.000 0.424 2265 Q N 0.627 120.529 119.800 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 -0.592 55.355 55.803 0.240 0.000 0.810 2265 Q CB 2.034 30.972 28.738 0.333 0.000 1.342 2265 Q HN 1.195 nan 8.270 nan 0.000 0.427 2266 A N -0.341 122.620 122.820 0.234 0.000 2.486 2266 A HA 0.932 5.252 4.320 0.000 0.000 0.289 2266 A C 0.347 178.028 177.584 0.161 0.000 1.176 2266 A CA -0.285 51.797 52.037 0.074 0.000 0.757 2266 A CB 1.428 20.454 19.000 0.043 0.000 1.337 2266 A HN 1.408 nan 8.150 nan 0.000 0.423 2267 G N -1.074 107.725 108.800 -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 -0.424 174.486 174.900 0.017 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 1.481 122.512 121.223 -0.320 0.000 2.395 2268 L HA 0.779 5.119 4.340 0.000 0.000 0.269 2268 L C 0.975 177.770 176.870 -0.126 0.000 1.133 2268 L CA 0.512 55.135 54.840 -0.362 0.000 0.812 2268 L CB 1.670 43.371 42.059 -0.596 0.000 1.125 2268 L HN 0.459 nan 8.230 nan 0.000 0.452 2269 T N -0.107 114.402 114.554 -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 -0.984 117.674 118.700 -0.070 0.000 2.778 2271 N HA -0.144 4.596 4.740 0.000 0.000 0.249 2271 N C -0.577 174.896 175.510 -0.062 0.000 1.069 2271 N CA 0.753 53.762 53.050 -0.069 0.000 0.831 2271 N CB -1.640 36.829 38.487 -0.029 0.000 1.142 2271 N HN 0.193 nan 8.380 nan 0.000 0.573 2272 V N 1.147 121.022 119.914 -0.065 0.000 2.513 2272 V HA 0.226 4.346 4.120 0.000 0.000 0.299 2272 V C 0.123 176.188 176.094 -0.050 0.000 1.035 2272 V CA -0.814 61.465 62.300 -0.035 0.000 0.889 2272 V CB 2.083 33.903 31.823 -0.005 0.000 0.988 2272 V HN -0.048 nan 8.190 nan 0.000 0.440 2273 D N 3.396 123.776 120.400 -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 0.497 54.474 54.000 -0.038 0.000 0.886 2273 D CB 0.393 41.193 40.800 -0.000 0.000 1.148 2273 D HN 0.347 nan 8.370 nan 0.000 0.483 2274 F N 3.627 123.483 119.950 -0.156 0.000 2.385 2274 F HA 0.328 4.855 4.527 0.000 0.000 0.360 2274 F C -0.708 175.034 175.800 -0.096 0.000 1.122 2274 F CA -0.780 57.143 58.000 -0.127 0.000 1.090 2274 F CB 0.783 39.678 39.000 -0.173 0.000 1.150 2274 F HN 0.001 nan 8.300 nan 0.000 0.472 2275 V N 6.939 126.559 119.914 -0.490 0.000 2.417 2275 V HA 0.411 4.531 4.120 0.000 0.000 0.291 2275 V C -0.597 175.239 176.094 -0.429 0.000 1.024 2275 V CA -0.907 61.192 62.300 -0.336 0.000 0.861 2275 V CB 1.426 33.135 31.823 -0.191 0.000 0.985 2275 V HN 0.495 nan 8.190 nan 0.000 0.436 2276 V N 5.101 124.865 119.914 -0.250 0.000 2.328 2276 V HA 0.334 4.454 4.120 0.000 0.000 0.278 2276 V C 0.109 176.076 176.094 -0.213 0.000 1.021 2276 V CA -0.707 61.460 62.300 -0.222 0.000 0.838 2276 V CB 1.274 33.032 31.823 -0.108 0.000 0.999 2276 V HN 0.814 nan 8.190 nan 0.000 0.447 2277 Q N 3.018 122.703 119.800 -0.193 0.000 2.352 2277 Q HA 0.276 4.616 4.340 0.000 0.000 0.260 2277 Q C -0.820 175.024 176.000 -0.259 0.000 0.976 2277 Q CA 0.118 55.828 55.803 -0.156 0.000 0.881 2277 Q CB 1.016 29.692 28.738 -0.103 0.000 1.235 2277 Q HN 0.633 nan 8.270 nan 0.000 0.419 2278 Y N 0.071 120.255 120.300 -0.193 0.000 2.304 2278 Y HA 0.348 4.898 4.550 0.000 0.000 0.328 2278 Y C 0.736 176.527 175.900 -0.182 0.000 1.123 2278 Y CA -0.393 57.480 58.100 -0.378 0.000 1.218 2278 Y CB 1.034 39.204 38.460 -0.484 0.000 1.207 2278 Y HN 0.644 nan 8.280 nan 0.000 0.495 2279 A N 3.024 125.859 122.820 0.025 0.000 2.313 2279 A HA 0.310 4.630 4.320 0.000 0.000 0.261 2279 A C -0.147 177.414 177.584 -0.038 0.000 1.090 2279 A CA -0.799 51.192 52.037 -0.076 0.000 0.807 2279 A CB -0.012 18.821 19.000 -0.278 0.000 1.055 2279 A HN 0.875 nan 8.150 nan 0.000 0.492 2280 N N -0.672 117.937 118.700 -0.152 0.000 2.408 2280 N HA 0.533 5.273 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 0.499 38.889 38.487 -0.162 0.000 1.201 2280 N HN 0.731 nan 8.380 nan 0.000 0.511 2281 L N -4.088 117.056 121.223 -0.131 0.000 3.271 2281 L HA -0.299 4.041 4.340 0.000 0.000 0.385 2281 L C -0.303 176.777 176.870 0.351 0.000 0.696 2281 L CA 1.323 56.210 54.840 0.078 0.000 3.118 2281 L CB -1.367 40.698 42.059 0.009 0.000 0.639 2281 L HN 0.628 nan 8.230 nan 0.000 0.752 2282 Y N 1.302 121.590 120.300 -0.021 0.000 2.346 2282 Y HA 0.266 4.816 4.550 0.000 0.000 0.330 2282 Y C 1.031 176.912 175.900 -0.033 0.000 1.178 2282 Y CA -0.632 57.326 58.100 -0.237 0.000 1.331 2282 Y CB 0.503 38.379 38.460 -0.973 0.000 1.253 2282 Y HN 0.060 nan 8.280 nan 0.000 0.529 2283 R N 3.562 124.152 120.500 0.150 0.000 2.247 2283 R HA 0.215 4.555 4.340 0.000 0.000 0.329 2283 R C -1.713 174.632 176.300 0.075 0.000 1.014 2283 R CA -0.602 55.593 56.100 0.158 0.000 0.907 2283 R CB 0.371 30.710 30.300 0.064 0.000 1.146 2283 R HN 0.536 nan 8.270 nan 0.000 0.499 2284 Y N 3.240 123.648 120.300 0.180 0.000 2.436 2284 Y HA 0.047 4.597 4.550 0.000 0.000 0.343 2284 Y C 1.385 177.346 175.900 0.102 0.000 1.008 2284 Y CA -0.267 57.951 58.100 0.197 0.000 1.241 2284 Y CB 0.642 39.236 38.460 0.224 0.000 1.153 2284 Y HN 0.464 nan 8.280 nan 0.000 0.521 2285 L N 1.898 123.241 121.223 0.199 0.000 2.162 2285 L HA 0.039 4.379 4.340 0.000 0.000 0.205 2285 L C 0.758 177.740 176.870 0.187 0.000 1.086 2285 L CA 0.610 55.507 54.840 0.096 0.000 0.778 2285 L CB -0.116 41.919 42.059 -0.039 0.000 0.928 2285 L HN 0.624 nan 8.230 nan 0.000 0.446 2286 S N -1.990 113.885 115.700 0.291 0.000 2.570 2286 S HA 0.610 5.080 4.470 0.000 0.000 0.270 2286 S C -0.623 174.176 174.600 0.330 0.000 1.149 2286 S CA -0.678 57.665 58.200 0.239 0.000 0.837 2286 S CB 2.363 65.750 63.200 0.311 0.000 1.124 2286 S HN -0.071 nan 8.310 nan 0.000 0.465 2287 T N 1.936 116.597 114.554 0.178 0.000 2.916 2287 T HA 0.611 4.961 4.350 0.000 0.000 0.298 2287 T C -0.954 173.726 174.700 -0.034 0.000 1.031 2287 T CA -0.397 61.765 62.100 0.105 0.000 0.993 2287 T CB 0.906 69.881 68.868 0.180 0.000 1.045 2287 T HN 0.660 nan 8.240 nan 0.000 0.454 2288 I N 2.237 122.723 120.570 -0.138 0.000 2.509 2288 I HA 0.723 4.893 4.170 0.000 0.000 0.293 2288 I C -0.348 175.624 176.117 -0.241 0.000 1.020 2288 I CA -0.929 60.330 61.300 -0.068 0.000 1.088 2288 I CB 1.749 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 6.250 128.981 122.820 -0.148 0.000 2.335 2289 A HA 0.754 5.074 4.320 0.000 0.000 0.304 2289 A C -1.142 176.520 177.584 0.129 0.000 1.118 2289 A CA -0.475 51.490 52.037 -0.121 0.000 0.757 2289 A CB 1.353 20.190 19.000 -0.270 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 -0.696 175.581 176.094 0.305 0.000 1.018 2290 V CA -0.392 62.044 62.300 0.226 0.000 0.841 2290 V CB 1.193 33.097 31.823 0.136 0.000 0.991 2290 V HN 0.782 nan 8.190 nan 0.000 0.437 2291 F N 5.286 125.327 119.950 0.152 0.000 2.406 2291 F HA 0.369 4.896 4.527 0.000 0.000 0.358 2291 F C 0.459 176.149 175.800 -0.183 0.000 1.161 2291 F CA -1.791 56.215 58.000 0.011 0.000 1.185 2291 F CB 0.170 39.198 39.000 0.046 0.000 1.421 2291 F HN 0.599 nan 8.300 nan 0.000 0.576 2292 D N 4.246 124.629 120.400 -0.029 0.000 2.435 2292 D HA -0.029 4.611 4.640 0.000 0.000 0.230 2292 D C -0.086 175.876 176.300 -0.562 0.000 1.215 2292 D CA 0.087 53.759 54.000 -0.546 0.000 0.947 2292 D CB -0.318 40.402 40.800 -0.134 0.000 1.048 2292 D HN 0.273 nan 8.370 nan 0.000 0.512 2293 N N 2.831 120.947 118.700 -0.972 0.000 3.050 2293 N HA 0.191 4.931 4.740 0.000 0.000 0.289 2293 N C 0.732 175.931 175.510 -0.518 0.000 1.209 2293 N CA 0.409 52.936 53.050 -0.872 0.000 1.154 2293 N CB -0.432 37.337 38.487 -1.197 0.000 1.444 2293 N HN 0.608 nan 8.380 nan 0.000 0.529 2294 G N 0.985 109.580 108.800 -0.341 0.000 2.323 2294 G HA2 -0.213 3.747 3.960 0.000 0.000 0.292 2294 G HA3 -0.213 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 1.105 nan 8.290 nan 0.000 0.506 2295 G N -2.333 106.290 108.800 -0.295 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 0.475 175.244 174.900 -0.220 0.000 0.990 2295 G CA 0.645 45.646 45.100 -0.165 0.000 0.627 2295 G HN 1.742 nan 8.290 nan 0.000 0.522 2296 S N 0.259 115.696 115.700 -0.438 0.000 2.508 2296 S HA 0.761 5.231 4.470 0.000 0.000 0.284 2296 S C -0.810 173.379 174.600 -0.685 0.000 1.192 2296 S CA -0.296 57.693 58.200 -0.352 0.000 1.070 2296 S CB 0.884 63.912 63.200 -0.288 0.000 1.004 2296 S HN 0.308 nan 8.310 nan 0.000 0.493 2297 F N 2.903 122.747 119.950 -0.177 0.000 2.445 2297 F HA 0.441 4.968 4.527 0.000 0.000 0.348 2297 F C 0.454 176.193 175.800 -0.103 0.000 1.125 2297 F CA -0.851 57.055 58.000 -0.158 0.000 0.983 2297 F CB 1.200 40.109 39.000 -0.153 0.000 1.198 2297 F HN 0.389 nan 8.300 nan 0.000 0.436 2298 N N 1.427 120.124 118.700 -0.005 0.000 2.384 2298 N HA 0.501 5.241 4.740 0.000 0.000 0.301 2298 N C -0.487 175.089 175.510 0.110 0.000 1.133 2298 N CA -0.705 52.363 53.050 0.030 0.000 0.853 2298 N CB 2.235 40.704 38.487 -0.030 0.000 1.241 2298 N HN 0.573 nan 8.380 nan 0.000 0.502 2299 A N 0.612 123.494 122.820 0.103 0.000 3.063 2299 A HA 0.462 4.782 4.320 0.000 0.000 0.263 2299 A C 1.353 179.045 177.584 0.181 0.000 1.736 2299 A CA 0.339 52.455 52.037 0.131 0.000 1.408 2299 A CB -1.424 17.633 19.000 0.096 0.000 1.108 2299 A HN 0.915 nan 8.150 nan 0.000 0.621 2300 G N 1.068 110.038 108.800 0.284 0.000 2.302 2300 G HA2 -0.423 3.537 3.960 0.000 0.000 0.263 2300 G HA3 -0.423 3.537 3.960 0.000 0.000 0.263 2300 G C 1.361 176.350 174.900 0.148 0.000 0.995 2300 G CA 1.548 46.811 45.100 0.272 0.000 0.622 2300 G HN 1.558 nan 8.290 nan 0.000 0.538 2301 T N -0.617 114.004 114.554 0.111 0.000 2.977 2301 T HA 0.044 4.394 4.350 0.000 0.000 0.271 2301 T C 1.479 176.210 174.700 0.052 0.000 1.105 2301 T CA 1.877 64.017 62.100 0.068 0.000 1.116 2301 T CB -0.242 68.653 68.868 0.046 0.000 0.878 2301 T HN 0.625 nan 8.240 nan 0.000 0.509 2302 D N 0.325 120.769 120.400 0.072 0.000 2.368 2302 D HA 0.255 4.895 4.640 0.000 0.000 0.218 2302 D C 0.148 176.533 176.300 0.141 0.000 1.112 2302 D CA -0.494 53.556 54.000 0.084 0.000 0.834 2302 D CB -0.307 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 0.468 121.074 120.570 0.061 0.000 2.545 2303 I HA 0.217 4.387 4.170 0.000 0.000 0.292 2303 I C 0.620 176.685 176.117 -0.086 0.000 1.040 2303 I CA -0.863 60.400 61.300 -0.062 0.000 1.068 2303 I CB 2.137 40.038 38.000 -0.166 0.000 1.251 2303 I HN -0.269 nan 8.210 nan 0.000 0.424 2304 N N 3.900 122.500 118.700 -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 1.405 54.403 53.050 -0.088 0.000 0.851 2304 N CB 0.246 38.642 38.487 -0.153 0.000 1.003 2304 N HN 0.629 nan 8.380 nan 0.000 0.430 2305 Y N -1.978 118.244 120.300 -0.130 0.000 2.741 2305 Y HA 0.630 5.180 4.550 0.000 0.000 0.339 2305 Y C -1.791 173.938 175.900 -0.286 0.000 1.226 2305 Y CA -1.441 56.566 58.100 -0.154 0.000 1.072 2305 Y CB 0.477 38.887 38.460 -0.083 0.000 1.331 2305 Y HN -0.276 nan 8.280 nan 0.000 0.453 2306 L N 1.638 122.805 121.223 -0.094 0.000 2.333 2306 L HA 0.924 5.264 4.340 0.000 0.000 0.263 2306 L C -0.099 176.654 176.870 -0.194 0.000 1.014 2306 L CA -0.547 54.003 54.840 -0.484 0.000 0.820 2306 L CB 2.214 43.490 42.059 -1.305 0.000 1.352 2306 L HN 0.891 nan 8.230 nan 0.000 0.421 2307 S N -0.168 115.319 115.700 -0.356 0.000 2.636 2307 S HA 0.588 5.058 4.470 0.000 0.000 0.268 2307 S C -2.078 172.392 174.600 -0.217 0.000 1.159 2307 S CA -0.616 57.550 58.200 -0.057 0.000 0.815 2307 S CB 1.609 64.816 63.200 0.012 0.000 1.130 2307 S HN 0.578 nan 8.310 nan 0.000 0.471 2308 Q N 1.073 120.871 119.800 -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 0.148 0.000 1.261 2308 Q HN 0.665 nan 8.270 nan 0.000 0.444 2309 R N -0.636 119.894 120.500 0.051 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 -0.707 55.410 56.100 0.028 0.000 0.899 2309 R CB 0.981 31.287 30.300 0.009 0.000 1.205 2309 R HN 0.503 nan 8.270 nan 0.000 0.450 2310 T N 0.686 115.251 114.554 0.017 0.000 3.418 2310 T HA 0.446 4.796 4.350 0.000 0.000 0.239 2310 T C 0.982 175.685 174.700 0.005 0.000 0.905 2310 T CA 0.110 62.217 62.100 0.012 0.000 0.929 2310 T CB -0.529 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 1.498 124.321 122.820 0.006 0.000 5.821 2311 A HA -0.066 4.254 4.320 0.000 0.000 0.282 2311 A C 1.527 179.107 177.584 -0.006 0.000 2.032 2311 A CA 1.756 53.791 52.037 -0.003 0.000 0.715 2311 A CB -2.355 16.641 19.000 -0.007 0.000 1.178 2311 A HN 2.328 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 1.304 176.809 175.510 -0.009 0.000 1.073 2312 N CA 2.173 55.217 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 2.687 nan 8.380 nan 0.000 0.543 2313 F N -2.179 117.765 119.950 -0.009 0.000 2.694 2313 F HA 0.139 4.666 4.527 0.000 0.000 0.215 2313 F C 0.814 176.606 175.800 -0.013 0.000 1.032 2313 F CA 1.543 59.536 58.000 -0.011 0.000 0.871 2313 F CB -1.729 37.264 39.000 -0.011 0.000 0.776 2313 F HN 1.960 nan 8.300 nan 0.000 0.850 2314 S N 1.414 117.107 115.700 -0.012 0.000 2.721 2314 S HA 0.480 4.950 4.470 0.000 0.000 0.264 2314 S C -0.929 173.664 174.600 -0.011 0.000 1.161 2314 S CA -0.288 57.904 58.200 -0.013 0.000 1.113 2314 S CB 0.647 63.841 63.200 -0.009 0.000 1.079 2314 S HN 0.578 nan 8.310 nan 0.000 0.479 2315 D N 2.792 123.180 120.400 -0.021 0.000 2.256 2315 D HA 0.240 4.880 4.640 0.000 0.000 0.250 2315 D C 1.204 177.497 176.300 -0.012 0.000 1.093 2315 D CA -0.061 53.928 54.000 -0.018 0.000 0.882 2315 D CB 1.893 42.667 40.800 -0.043 0.000 1.185 2315 D HN 0.659 nan 8.370 nan 0.000 0.437 2316 T N -1.061 113.494 114.554 0.002 0.000 3.022 2316 T HA 0.060 4.410 4.350 0.000 0.000 0.250 2316 T C 0.929 175.629 174.700 -0.000 0.000 1.060 2316 T CA -0.277 61.822 62.100 -0.001 0.000 1.013 2316 T CB 0.278 69.148 68.868 0.003 0.000 0.982 2316 T HN 0.588 nan 8.240 nan 0.000 0.508 2317 R N 0.421 120.933 120.500 0.020 0.000 2.714 2317 R HA 0.311 4.651 4.340 0.000 0.000 0.214 2317 R C -0.844 175.523 176.300 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 0.085 nan 8.270 nan 0.000 0.748 2318 K N 2.878 123.302 120.400 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 -0.104 56.183 56.287 0.001 0.000 0.941 2318 K CB 0.468 32.861 32.500 -0.177 0.000 1.023 2318 K HN 0.443 nan 8.250 nan 0.000 0.477 2319 L N 3.276 124.611 121.223 0.187 0.000 2.371 2319 L HA 0.342 4.682 4.340 0.000 0.000 0.262 2319 L C -0.433 176.574 176.870 0.227 0.000 1.006 2319 L CA -1.376 53.592 54.840 0.213 0.000 0.818 2319 L CB 2.035 44.288 42.059 0.323 0.000 1.354 2319 L HN 0.736 nan 8.230 nan 0.000 0.415 2320 D N 0.334 120.839 120.400 0.176 0.000 2.368 2320 D HA 0.150 4.790 4.640 0.000 0.000 0.240 2320 D C -2.110 174.303 176.300 0.190 0.000 1.169 2320 D CA -1.210 52.886 54.000 0.160 0.000 0.906 2320 D CB 0.668 41.541 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 1.131 178.605 177.300 0.290 0.000 1.150 2321 P CA 1.525 64.730 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 -1.067 119.464 120.400 0.217 0.000 2.097 2322 K HA -0.071 4.249 4.320 0.000 0.000 0.205 2322 K C 1.735 178.460 176.600 0.209 0.000 1.050 2322 K CA 1.530 57.938 56.287 0.202 0.000 0.938 2322 K CB -0.400 32.184 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 -0.202 68.748 68.868 0.136 0.000 0.879 2323 T HN 0.437 nan 8.240 nan 0.000 0.467 2324 W N 2.251 123.624 121.300 0.121 0.000 2.358 2324 W HA -0.071 4.589 4.660 0.000 0.000 0.303 2324 W C 2.447 179.089 176.519 0.206 0.000 1.208 2324 W CA 1.257 58.696 57.345 0.157 0.000 1.274 2324 W CB -0.614 28.946 29.460 0.168 0.000 1.138 2324 W HN 0.289 nan 8.180 nan 0.000 0.515 2325 A N 0.895 124.017 122.820 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 -1.217 17.978 19.000 0.325 0.000 0.810 2325 A HN 0.291 nan 8.150 nan 0.000 0.446 2326 A N -0.909 122.006 122.820 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 -0.433 18.613 19.000 0.076 0.000 0.814 2326 A HN 0.499 nan 8.150 nan 0.000 0.444 2327 Q N -0.490 119.321 119.800 0.019 0.000 2.124 2327 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 2327 Q C 2.112 178.131 176.000 0.032 0.000 0.977 2327 Q CA 1.987 57.771 55.803 -0.031 0.000 0.850 2327 Q CB -1.226 27.408 28.738 -0.174 0.000 0.901 2327 Q HN 0.636 nan 8.270 nan 0.000 0.429 2328 T N 1.089 115.700 114.554 0.096 0.000 2.821 2328 T HA -0.060 4.290 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 0.751 62.979 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 0.720 121.263 120.500 0.071 0.000 2.152 2329 R HA 0.029 4.369 4.340 0.000 0.000 0.232 2329 R C 2.439 178.746 176.300 0.010 0.000 1.117 2329 R CA 0.758 56.870 56.100 0.020 0.000 0.981 2329 R CB -0.068 30.249 30.300 0.028 0.000 0.870 2329 R HN 0.220 nan 8.270 nan 0.000 0.451 2330 R N 0.171 120.688 120.500 0.028 0.000 2.189 2330 R HA 0.014 4.354 4.340 0.000 0.000 0.218 2330 R C 1.850 178.167 176.300 0.028 0.000 1.074 2330 R CA 0.738 56.851 56.100 0.022 0.000 0.991 2330 R CB 0.024 30.337 30.300 0.023 0.000 0.883 2330 R HN 0.170 nan 8.270 nan 0.000 0.457 2331 R N 0.409 120.939 120.500 0.049 0.000 2.146 2331 R HA 0.158 4.498 4.340 0.000 0.000 0.206 2331 R C 2.027 178.317 176.300 -0.018 0.000 1.049 2331 R CA 0.771 56.909 56.100 0.062 0.000 1.029 2331 R CB 0.053 30.468 30.300 0.191 0.000 0.949 2331 R HN 0.313 nan 8.270 nan 0.000 0.471 2332 I N -3.964 116.555 120.570 -0.084 0.000 4.147 2332 I HA 0.478 4.648 4.170 0.000 0.000 0.329 2332 I C 0.499 176.527 176.117 -0.149 0.000 1.424 2332 I CA 0.101 61.298 61.300 -0.172 0.000 1.127 2332 I CB 0.879 38.647 38.000 -0.386 0.000 1.128 2332 I HN -0.042 nan 8.210 nan 0.000 0.417 2333 A N 0.302 123.067 122.820 -0.092 0.000 2.861 2333 A HA -0.213 4.107 4.320 0.000 0.000 0.261 2333 A C 0.637 178.175 177.584 -0.078 0.000 1.351 2333 A CA 1.674 53.669 52.037 -0.070 0.000 0.904 2333 A CB -2.298 16.664 19.000 -0.063 0.000 1.076 2333 A HN 0.805 nan 8.150 nan 0.000 0.729 2334 T N -1.854 112.636 114.554 -0.108 0.000 2.654 2334 T HA 0.497 4.847 4.350 0.000 0.000 0.303 2334 T C -2.118 172.505 174.700 -0.128 0.000 1.656 2334 T CA 0.136 62.176 62.100 -0.100 0.000 0.971 2334 T CB 0.941 69.741 68.868 -0.114 0.000 1.811 2334 T HN 0.284 nan 8.240 nan 0.000 0.483 2335 D N 0.570 120.913 120.400 -0.094 0.000 2.217 2335 D HA 0.515 5.155 4.640 0.000 0.000 0.248 2335 D C -0.275 175.936 176.300 -0.148 0.000 1.008 2335 D CA -0.119 53.845 54.000 -0.060 0.000 0.914 2335 D CB 0.799 41.614 40.800 0.024 0.000 1.182 2335 D HN 0.334 nan 8.370 nan 0.000 0.451 2336 F N 0.593 120.478 119.950 -0.108 0.000 2.399 2336 F HA 0.219 4.746 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 -1.264 56.594 58.000 -0.236 0.000 1.192 2336 F CB 0.076 38.831 39.000 -0.409 0.000 1.256 2336 F HN 0.070 nan 8.300 nan 0.000 0.558 2337 P HA -0.008 nan 4.420 nan 0.000 0.270 2337 P C -1.172 176.160 177.300 0.054 0.000 1.227 2337 P CA -0.268 62.895 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 1.132 121.573 120.400 0.069 0.000 2.530 2338 K HA 0.111 4.431 4.320 0.000 0.000 0.280 2338 K C 1.288 177.951 176.600 0.105 0.000 1.004 2338 K CA 1.283 57.612 56.287 0.069 0.000 1.071 2338 K CB -0.769 31.792 32.500 0.101 0.000 0.876 2338 K HN 0.864 nan 8.250 nan 0.000 0.487 2339 G N 1.187 110.000 108.800 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 0.015 174.864 174.900 -0.085 0.000 0.975 2339 G CA 0.075 45.244 45.100 0.117 0.000 0.642 2339 G HN 0.428 nan 8.290 nan 0.000 0.536 2340 V N 1.003 120.703 119.914 -0.357 0.000 2.370 2340 V HA 0.649 4.769 4.120 0.000 0.000 0.283 2340 V C -0.291 175.440 176.094 -0.605 0.000 1.023 2340 V CA -0.814 61.275 62.300 -0.352 0.000 0.857 2340 V CB 0.822 32.412 31.823 -0.389 0.000 0.985 2340 V HN 0.252 nan 8.190 nan 0.000 0.443 2341 Y N 4.140 124.475 120.300 0.058 0.000 2.393 2341 Y HA 0.622 5.172 4.550 0.000 0.000 0.341 2341 Y C -0.507 175.569 175.900 0.293 0.000 0.988 2341 Y CA -0.803 57.435 58.100 0.231 0.000 1.078 2341 Y CB 1.824 40.345 38.460 0.101 0.000 1.203 2341 Y HN 0.631 nan 8.280 nan 0.000 0.453 2342 Y N 2.182 122.784 120.300 0.503 0.000 2.468 2342 Y HA 0.672 5.222 4.550 0.000 0.000 0.342 2342 Y C -1.190 175.007 175.900 0.494 0.000 1.021 2342 Y CA -1.828 56.463 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 6.631 125.670 119.300 -0.435 0.000 2.432 2343 C HA 0.366 4.826 4.460 0.000 0.000 0.334 2343 C C -1.318 173.292 174.990 -0.633 0.000 1.155 2343 C CA -0.709 58.120 59.018 -0.314 0.000 1.335 2343 C CB -0.018 27.916 27.740 0.323 0.000 1.964 2343 C HN 0.885 nan 8.230 nan 0.000 0.444 2344 D N 3.997 124.103 120.400 -0.489 0.000 2.280 2344 D HA 0.295 4.935 4.640 0.000 0.000 0.243 2344 D C 0.040 176.308 176.300 -0.053 0.000 1.129 2344 D CA 0.275 54.155 54.000 -0.200 0.000 0.848 2344 D CB 0.753 41.568 40.800 0.025 0.000 1.107 2344 D HN 0.710 nan 8.370 nan 0.000 0.471 2345 N N 3.515 122.223 118.700 0.012 0.000 2.451 2345 N HA 0.100 4.840 4.740 0.000 0.000 0.271 2345 N C 1.093 176.626 175.510 0.039 0.000 1.410 2345 N CA -0.171 52.896 53.050 0.029 0.000 0.884 2345 N CB 0.725 39.238 38.487 0.044 0.000 1.332 2345 N HN 0.359 nan 8.380 nan 0.000 0.498 2346 R N 0.478 121.010 120.500 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 57.284 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 0.420 120.834 120.400 0.023 0.000 2.194 2347 D HA -0.041 4.599 4.640 0.000 0.000 0.204 2347 D C 0.209 176.512 176.300 0.006 0.000 0.964 2347 D CA 1.242 55.250 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 0.906 121.311 120.400 0.009 0.000 2.753 2348 K HA 0.292 4.612 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 -0.040 nan 4.420 nan 0.000 0.265 2349 P C -0.116 177.234 177.300 0.084 0.000 1.187 2349 P CA -0.184 62.946 63.100 0.049 0.000 0.766 2349 P CB 0.452 32.169 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 -0.038 176.223 176.117 0.240 0.000 1.134 2350 I CA 0.259 61.566 61.300 0.012 0.000 1.410 2350 I CB -1.202 36.568 38.000 -0.383 0.000 1.392 2350 I HN 0.403 nan 8.210 nan 0.000 0.545 2351 Y N 5.791 126.113 120.300 0.036 0.000 2.315 2351 Y HA 0.162 4.712 4.550 0.000 0.000 0.324 2351 Y C 1.284 177.209 175.900 0.041 0.000 1.062 2351 Y CA -1.049 57.095 58.100 0.074 0.000 1.159 2351 Y CB 1.583 40.080 38.460 0.060 0.000 1.145 2351 Y HN 0.725 nan 8.280 nan 0.000 0.442 2352 T N 0.752 115.224 114.554 -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 1.791 63.797 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 0.549 nan 8.240 nan 0.000 0.479 2353 L N 0.656 121.547 121.223 -0.554 0.000 2.056 2353 L HA 0.353 4.693 4.340 0.000 0.000 0.207 2353 L C 3.037 179.813 176.870 -0.157 0.000 1.078 2353 L CA 2.389 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 0.727 nan 8.230 nan 0.000 0.433 2354 Q N -2.414 117.359 119.800 -0.044 0.000 2.360 2354 Q HA 0.370 4.710 4.340 0.000 0.000 0.202 2354 Q C 1.435 177.461 176.000 0.043 0.000 0.915 2354 Q CA 1.533 57.385 55.803 0.081 0.000 0.943 2354 Q CB -0.956 27.914 28.738 0.220 0.000 1.064 2354 Q HN 1.856 nan 8.270 nan 0.000 0.511 2355 Y N -3.213 117.089 120.300 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 0.237 58.338 58.100 0.002 0.000 1.252 2355 Y CB -0.062 38.405 38.460 0.013 0.000 1.399 2355 Y HN 1.236 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 -0.379 44.697 45.100 -0.040 0.000 0.856 2356 G HN 0.941 nan 8.290 nan 0.000 0.538 2357 N N -0.991 117.693 118.700 -0.028 0.000 2.454 2357 N HA 0.332 5.072 4.740 0.000 0.000 0.254 2357 N C -0.001 175.518 175.510 0.015 0.000 1.228 2357 N CA 0.394 53.437 53.050 -0.011 0.000 0.900 2357 N CB 0.804 39.281 38.487 -0.017 0.000 1.089 2357 N HN 0.519 nan 8.380 nan 0.000 0.449 2358 V N 0.145 120.094 119.914 0.060 0.000 2.962 2358 V HA 0.754 4.874 4.120 0.000 0.000 0.313 2358 V C 0.393 176.647 176.094 0.266 0.000 1.099 2358 V CA -0.816 61.550 62.300 0.111 0.000 0.971 2358 V CB 2.087 33.927 31.823 0.029 0.000 1.028 2358 V HN 0.812 nan 8.190 nan 0.000 0.430 2359 G N 0.686 109.640 108.800 0.256 0.000 2.660 2359 G HA2 0.672 4.632 3.960 0.000 0.000 0.294 2359 G HA3 0.672 4.632 3.960 0.000 0.000 0.294 2359 G C -2.052 173.012 174.900 0.272 0.000 1.369 2359 G CA -0.607 44.617 45.100 0.206 0.000 0.912 2359 G HN 0.489 nan 8.290 nan 0.000 0.479 2360 F N 1.698 121.648 119.950 0.001 0.000 2.408 2360 F HA 0.651 5.178 4.527 0.000 0.000 0.344 2360 F C -0.225 175.556 175.800 -0.031 0.000 1.112 2360 F CA -0.499 57.533 58.000 0.054 0.000 1.096 2360 F CB 1.750 40.728 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 0.584 4.704 4.120 0.000 0.000 0.302 2361 V C -0.818 175.063 176.094 -0.355 0.000 1.038 2361 V CA -0.873 61.268 62.300 -0.265 0.000 0.887 2361 V CB 1.584 33.323 31.823 -0.140 0.000 0.991 2361 V HN 0.567 nan 8.190 nan 0.000 0.434 2362 V N 3.862 123.664 119.914 -0.187 0.000 2.525 2362 V HA 0.468 4.588 4.120 0.000 0.000 0.299 2362 V C -0.368 175.519 176.094 -0.345 0.000 1.034 2362 V CA -0.627 61.487 62.300 -0.311 0.000 0.863 2362 V CB 2.020 33.666 31.823 -0.294 0.000 0.999 2362 V HN 0.897 nan 8.190 nan 0.000 0.423 2363 N N 6.807 125.161 118.700 -0.577 0.000 2.558 2363 N HA 0.369 5.109 4.740 0.000 0.000 0.242 2363 N C -2.757 172.462 175.510 -0.485 0.000 0.979 2363 N CA -1.623 51.066 53.050 -0.601 0.000 0.931 2363 N CB 2.525 40.339 38.487 -1.122 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 0.175 177.402 177.300 -0.121 0.000 1.228 2364 P CA -0.152 62.810 63.100 -0.230 0.000 0.786 2364 P CB 2.066 33.626 31.700 -0.234 0.000 0.927 2365 K N 1.417 121.791 120.400 -0.044 0.000 2.168 2365 K HA 0.088 4.408 4.320 0.000 0.000 0.201 2365 K C 0.035 176.634 176.600 -0.002 0.000 1.049 2365 K CA 0.934 57.206 56.287 -0.026 0.000 0.974 2365 K CB 0.287 32.782 32.500 -0.008 0.000 0.792 2365 K HN 0.427 nan 8.250 nan 0.000 0.463 2366 T N 0.806 115.379 114.554 0.032 0.000 2.886 2366 T HA 0.435 4.785 4.350 0.000 0.000 0.292 2366 T C -1.456 173.275 174.700 0.051 0.000 1.012 2366 T CA -0.700 61.408 62.100 0.015 0.000 0.982 2366 T CB 2.300 71.159 68.868 -0.015 0.000 1.018 2366 T HN -0.176 nan 8.240 nan 0.000 0.451 2367 V N 4.316 124.239 119.914 0.015 0.000 2.447 2367 V HA 0.403 4.523 4.120 0.000 0.000 0.292 2367 V C -0.266 175.803 176.094 -0.041 0.000 1.021 2367 V CA -1.132 61.183 62.300 0.025 0.000 0.850 2367 V CB 1.470 33.303 31.823 0.017 0.000 1.005 2367 V HN 0.770 nan 8.190 nan 0.000 0.426 2368 N N 2.587 121.231 118.700 -0.094 0.000 2.379 2368 N HA 0.291 5.031 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 -0.604 52.385 53.050 -0.103 0.000 0.958 2368 N CB 0.532 38.926 38.487 -0.155 0.000 1.208 2368 N HN 0.542 nan 8.380 nan 0.000 0.532 2369 Q N 1.141 120.899 119.800 -0.070 0.000 2.364 2369 Q HA 0.062 4.402 4.340 0.000 0.000 0.267 2369 Q C -0.006 175.957 176.000 -0.062 0.000 0.999 2369 Q CA 0.343 56.114 55.803 -0.053 0.000 0.886 2369 Q CB 0.133 28.846 28.738 -0.042 0.000 1.243 2369 Q HN 0.482 nan 8.270 nan 0.000 0.415 2370 N N -1.302 117.370 118.700 -0.046 0.000 2.776 2370 N HA -0.182 4.558 4.740 0.000 0.000 0.249 2370 N C -0.709 174.766 175.510 -0.059 0.000 1.111 2370 N CA 0.990 54.016 53.050 -0.042 0.000 0.711 2370 N CB -1.290 37.175 38.487 -0.037 0.000 1.065 2370 N HN 0.671 nan 8.380 nan 0.000 0.556 2371 A N 0.812 123.596 122.820 -0.061 0.000 2.371 2371 A HA 0.659 4.979 4.320 0.000 0.000 0.257 2371 A C 0.888 178.457 177.584 -0.025 0.000 1.089 2371 A CA 0.131 52.142 52.037 -0.043 0.000 0.794 2371 A CB 0.653 19.666 19.000 0.023 0.000 1.029 2371 A HN 0.471 nan 8.150 nan 0.000 0.488 2372 R N 0.805 121.319 120.500 0.024 0.000 2.712 2372 R HA 0.617 4.957 4.340 0.000 0.000 0.272 2372 R C -2.116 174.222 176.300 0.064 0.000 1.032 2372 R CA -0.926 55.171 56.100 -0.005 0.000 0.874 2372 R CB 0.923 31.242 30.300 0.032 0.000 1.256 2372 R HN 0.469 nan 8.270 nan 0.000 0.468 2373 L N 2.602 123.844 121.223 0.032 0.000 2.296 2373 L HA 0.487 4.827 4.340 0.000 0.000 0.286 2373 L C -0.764 176.187 176.870 0.134 0.000 1.023 2373 L CA -1.052 53.841 54.840 0.089 0.000 0.812 2373 L CB 1.675 43.791 42.059 0.096 0.000 1.223 2373 L HN 0.461 nan 8.230 nan 0.000 0.421 2374 L N 4.859 126.178 121.223 0.159 0.000 2.265 2374 L HA 0.459 4.799 4.340 0.000 0.000 0.289 2374 L C -0.202 176.748 176.870 0.133 0.000 1.033 2374 L CA -0.318 54.649 54.840 0.211 0.000 0.814 2374 L CB 1.308 43.571 42.059 0.340 0.000 1.203 2374 L HN 0.479 nan 8.230 nan 0.000 0.423 2375 M N 2.566 122.166 119.600 -0.001 0.000 2.363 2375 M HA 0.518 4.998 4.480 0.000 0.000 0.343 2375 M C 0.269 176.286 176.300 -0.473 0.000 1.165 2375 M CA -0.376 54.740 55.300 -0.308 0.000 1.046 2375 M CB 1.580 33.921 32.600 -0.432 0.000 1.648 2375 M HN 0.582 nan 8.290 nan 0.000 0.452 2376 G N 2.885 111.257 108.800 -0.713 0.000 2.609 2376 G HA2 0.696 4.656 3.960 0.000 0.000 0.308 2376 G HA3 0.696 4.656 3.960 0.000 0.000 0.308 2376 G C -1.889 172.604 174.900 -0.679 0.000 1.369 2376 G CA -0.240 44.222 45.100 -1.064 0.000 0.958 2376 G HN 0.594 nan 8.290 nan 0.000 0.499 2377 Y N 0.159 120.487 120.300 0.046 0.000 2.499 2377 Y HA 0.580 5.130 4.550 0.000 0.000 0.347 2377 Y C 0.239 176.390 175.900 0.419 0.000 0.987 2377 Y CA -0.943 57.381 58.100 0.373 0.000 1.044 2377 Y CB 2.849 41.650 38.460 0.569 0.000 1.245 2377 Y HN 0.503 nan 8.280 nan 0.000 0.461 2378 E N 2.589 123.122 120.200 0.555 0.000 2.199 2378 E HA 0.453 4.803 4.350 0.000 0.000 0.265 2378 E C -1.858 174.908 176.600 0.276 0.000 0.882 2378 E CA -0.691 55.877 56.400 0.280 0.000 0.759 2378 E CB 1.312 31.199 29.700 0.312 0.000 1.148 2378 E HN 0.570 nan 8.360 nan 0.000 0.412 2379 Y N 1.665 121.976 120.300 0.018 0.000 2.638 2379 Y HA 0.562 5.112 4.550 0.000 0.000 0.335 2379 Y C -1.901 173.965 175.900 -0.056 0.000 1.155 2379 Y CA -1.479 56.529 58.100 -0.153 0.000 1.046 2379 Y CB 0.998 39.206 38.460 -0.420 0.000 1.303 2379 Y HN 0.301 nan 8.280 nan 0.000 0.460 2380 F N 0.852 120.911 119.950 0.182 0.000 2.480 2380 F HA 0.710 5.237 4.527 0.000 0.000 0.329 2380 F C 0.189 176.060 175.800 0.119 0.000 1.091 2380 F CA -0.916 57.141 58.000 0.095 0.000 0.972 2380 F CB 2.532 41.531 39.000 -0.001 0.000 1.150 2380 F HN 0.737 nan 8.300 nan 0.000 0.467 2381 T N 1.115 115.833 114.554 0.272 0.000 2.885 2381 T HA 0.277 4.627 4.350 0.000 0.000 0.322 2381 T C -1.126 173.638 174.700 0.108 0.000 1.387 2381 T CA -0.564 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 2.322 118.085 115.700 0.105 0.000 2.548 2382 S HA 0.250 4.720 4.470 0.000 0.000 0.277 2382 S C 1.502 176.135 174.600 0.055 0.000 1.315 2382 S CA -0.595 57.641 58.200 0.059 0.000 1.050 2382 S CB 1.045 64.281 63.200 0.061 0.000 0.918 2382 S HN 0.660 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 0.042 0.000 1.137 2383 R CA 1.578 57.693 56.100 0.026 0.000 0.951 2383 R CB -0.659 29.657 30.300 0.026 0.000 0.851 2383 R HN 0.773 nan 8.270 nan 0.000 0.434 2384 T N 0.701 115.280 114.554 0.041 0.000 3.151 2384 T HA 0.526 4.876 4.350 0.000 0.000 0.332 2384 T C -0.181 174.547 174.700 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