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 1gw8_1_B 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 RT 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 -0.337 122.487 122.820 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 3.043 55.085 52.037 0.008 0.000 1.137 2014 A CB -2.310 16.696 19.000 0.009 0.000 1.074 2014 A HN 2.547 nan 8.150 nan 0.000 0.854 2015 L N -2.139 119.086 121.223 0.004 0.000 2.341 2015 L HA 0.552 4.892 4.340 -0.000 0.000 0.214 2015 L C 2.811 179.682 176.870 0.002 0.000 1.115 2015 L CA 2.437 57.278 54.840 0.002 0.000 0.820 2015 L CB -2.437 39.624 42.059 0.003 0.000 0.944 2015 L HN 1.494 nan 8.230 nan 0.000 0.452 2016 R N 0.439 120.941 120.500 0.003 0.000 2.092 2016 R HA -0.149 4.191 4.340 -0.000 0.000 0.231 2016 R C 2.033 178.333 176.300 0.000 0.000 1.119 2016 R CA 1.616 57.717 56.100 0.002 0.000 0.970 2016 R CB -1.592 28.710 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 -0.118 38.368 38.487 -0.002 0.000 0.979 2017 N HN 0.698 nan 8.380 nan 0.000 0.432 2018 Q N 1.064 120.861 119.800 -0.005 0.000 2.167 2018 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 2018 Q C 1.750 177.746 176.000 -0.007 0.000 0.970 2018 Q CA 1.182 56.981 55.803 -0.007 0.000 0.855 2018 Q CB 0.204 28.940 28.738 -0.004 0.000 0.911 2018 Q HN 0.428 nan 8.270 nan 0.000 0.438 2019 Q N -0.623 119.174 119.800 -0.005 0.000 2.096 2019 Q HA -0.050 4.290 4.340 -0.000 0.000 0.197 2019 Q C 2.146 178.142 176.000 -0.006 0.000 0.964 2019 Q CA 0.981 56.781 55.803 -0.004 0.000 0.838 2019 Q CB -0.113 28.624 28.738 -0.001 0.000 0.906 2019 Q HN 0.436 nan 8.270 nan 0.000 0.444 2020 A N 1.242 124.058 122.820 -0.007 0.000 1.940 2020 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 2020 A C 2.118 179.692 177.584 -0.016 0.000 1.176 2020 A CA 1.342 53.373 52.037 -0.009 0.000 0.631 2020 A CB -0.440 18.555 19.000 -0.009 0.000 0.814 2020 A HN 0.248 nan 8.150 nan 0.000 0.446 2021 M N -0.705 118.884 119.600 -0.019 0.000 2.086 2021 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 2021 M C 2.577 178.864 176.300 -0.023 0.000 1.067 2021 M CA 1.722 57.005 55.300 -0.027 0.000 1.116 2021 M CB -1.198 31.386 32.600 -0.027 0.000 1.348 2021 M HN 0.504 nan 8.290 nan 0.000 0.407 2022 A N 0.102 122.912 122.820 -0.016 0.000 1.930 2022 A HA 0.038 4.358 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 1.873 53.903 52.037 -0.012 0.000 0.627 2022 A CB -0.790 18.205 19.000 -0.008 0.000 0.815 2022 A HN 0.491 nan 8.150 nan 0.000 0.443 2023 A N 0.299 123.114 122.820 -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 53.699 52.037 -0.005 0.000 0.620 2023 A CB -0.699 18.300 19.000 -0.002 0.000 0.819 2023 A HN 0.672 nan 8.150 nan 0.000 0.442 2024 N N -0.057 118.635 118.700 -0.014 0.000 2.084 2024 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 2024 N C 1.801 177.298 175.510 -0.022 0.000 1.030 2024 N CA 1.815 54.853 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 1.961 123.170 121.223 -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 -0.994 41.052 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 -0.225 4.115 4.340 -0.000 0.000 0.202 2026 Q C 2.125 178.124 176.000 -0.003 0.000 0.980 2026 Q CA 1.965 57.765 55.803 -0.005 0.000 0.840 2026 Q CB -0.211 28.526 28.738 -0.002 0.000 0.898 2026 Q HN 0.644 nan 8.270 nan 0.000 0.424 2027 A N 1.204 124.023 122.820 -0.002 0.000 1.933 2027 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 2027 A C 2.113 179.695 177.584 -0.004 0.000 1.175 2027 A CA 1.442 53.480 52.037 0.001 0.000 0.628 2027 A CB -0.679 18.324 19.000 0.005 0.000 0.814 2027 A HN 0.431 nan 8.150 nan 0.000 0.444 2028 R N -0.193 120.301 120.500 -0.010 0.000 2.083 2028 R HA -0.218 4.122 4.340 -0.000 0.000 0.237 2028 R C 2.286 178.580 176.300 -0.009 0.000 1.137 2028 R CA 2.043 58.136 56.100 -0.012 0.000 0.951 2028 R CB -0.379 29.911 30.300 -0.017 0.000 0.851 2028 R HN 0.715 nan 8.270 nan 0.000 0.434 2029 Q N 0.131 119.926 119.800 -0.008 0.000 2.084 2029 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 2029 Q C 2.276 178.273 176.000 -0.005 0.000 0.978 2029 Q CA 1.806 57.605 55.803 -0.006 0.000 0.844 2029 Q CB -0.148 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 0.071 120.640 120.570 -0.002 0.000 2.179 2030 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 2030 I C 2.261 178.377 176.117 -0.002 0.000 1.088 2030 I CA 0.844 62.145 61.300 0.001 0.000 1.357 2030 I CB -0.335 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 1.205 121.114 119.914 -0.007 0.000 2.287 2031 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 2031 V C 2.410 178.494 176.094 -0.015 0.000 1.053 2031 V CA 1.832 64.122 62.300 -0.016 0.000 1.027 2031 V CB -0.459 31.350 31.823 -0.024 0.000 0.646 2031 V HN 0.366 nan 8.190 nan 0.000 0.447 2032 L N -0.734 120.482 121.223 -0.013 0.000 2.083 2032 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 2032 L C 2.732 179.593 176.870 -0.014 0.000 1.083 2032 L CA 1.301 56.133 54.840 -0.014 0.000 0.752 2032 L CB -0.583 41.469 42.059 -0.012 0.000 0.899 2032 L HN 0.334 nan 8.230 nan 0.000 0.433 2033 Q N -0.444 119.350 119.800 -0.010 0.000 2.123 2033 Q HA -0.136 4.204 4.340 -0.000 0.000 0.199 2033 Q C 2.249 178.245 176.000 -0.007 0.000 0.966 2033 Q CA 1.174 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 0.315 120.113 119.800 -0.004 0.000 2.204 2034 Q HA 0.039 4.379 4.340 -0.000 0.000 0.198 2034 Q C 1.185 177.184 176.000 -0.003 0.000 0.946 2034 Q CA 0.341 56.145 55.803 0.001 0.000 0.859 2034 Q CB 0.039 28.783 28.738 0.009 0.000 0.946 2034 Q HN 0.295 nan 8.270 nan 0.000 0.474 2035 S N -1.024 114.670 115.700 -0.011 0.000 2.608 2035 S HA 0.404 4.875 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 -0.384 57.807 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 -0.233 120.052 120.300 -0.025 0.000 2.328 2036 Y HA 0.730 5.280 4.550 -0.000 0.000 0.336 2036 Y C -2.856 172.992 175.900 -0.086 0.000 0.960 2036 Y CA -3.247 54.827 58.100 -0.044 0.000 1.134 2036 Y CB 0.984 39.424 38.460 -0.033 0.000 1.166 2036 Y HN 0.831 nan 8.280 nan 0.000 0.464 2037 P HA 0.450 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 0.246 63.258 63.100 -0.148 0.000 0.776 2037 P CB 2.168 33.806 31.700 -0.103 0.000 0.888 2038 V N 5.015 124.691 119.914 -0.396 0.000 2.760 2038 V HA 0.454 4.574 4.120 -0.000 0.000 0.309 2038 V C 0.070 175.922 176.094 -0.403 0.000 1.077 2038 V CA -0.758 61.261 62.300 -0.469 0.000 0.910 2038 V CB 2.432 33.768 31.823 -0.811 0.000 1.008 2038 V HN 0.523 nan 8.190 nan 0.000 0.424 2039 I N 3.546 124.025 120.570 -0.151 0.000 2.418 2039 I HA 0.628 4.798 4.170 -0.000 0.000 0.287 2039 I C -0.698 175.509 176.117 0.151 0.000 1.008 2039 I CA -0.024 61.292 61.300 0.027 0.000 1.104 2039 I CB 1.458 39.479 38.000 0.035 0.000 1.264 2039 I HN 0.836 nan 8.210 nan 0.000 0.438 2040 Q N 6.454 126.435 119.800 0.302 0.000 2.331 2040 Q HA 0.311 4.651 4.340 -0.000 0.000 0.272 2040 Q C -1.375 174.843 176.000 0.363 0.000 1.062 2040 Q CA -0.773 55.237 55.803 0.345 0.000 0.806 2040 Q CB 2.210 31.152 28.738 0.340 0.000 1.312 2040 Q HN 0.735 nan 8.270 nan 0.000 0.431 2041 Q N 1.896 121.845 119.800 0.247 0.000 2.337 2041 Q HA 0.162 4.502 4.340 -0.000 0.000 0.270 2041 Q C 0.138 176.139 176.000 0.002 0.000 1.002 2041 Q CA 0.160 55.892 55.803 -0.118 0.000 0.888 2041 Q CB 0.963 29.549 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 0.110 176.220 176.094 0.028 0.000 1.324 2042 V CA 0.483 62.817 62.300 0.057 0.000 1.068 2042 V CB 0.333 32.235 31.823 0.132 0.000 0.837 2042 V HN 0.840 nan 8.190 nan 0.000 0.450 2043 E N -0.569 119.628 120.200 -0.005 0.000 2.400 2043 E HA 0.538 4.888 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 -0.309 56.090 56.400 -0.002 0.000 0.816 2043 E CB 2.252 32.011 29.700 0.098 0.000 1.220 2043 E HN 0.231 nan 8.360 nan 0.000 0.426 2044 T N 3.006 117.445 114.554 -0.192 0.000 2.952 2044 T HA 0.469 4.819 4.350 -0.000 0.000 0.305 2044 T C -1.250 173.160 174.700 -0.484 0.000 1.064 2044 T CA -0.691 61.194 62.100 -0.360 0.000 1.008 2044 T CB 1.702 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 0.926 120.232 119.800 -0.823 0.000 2.377 2045 Q HA 0.537 4.877 4.340 -0.000 0.000 0.279 2045 Q C -1.376 174.356 176.000 -0.447 0.000 1.049 2045 Q CA -0.796 54.648 55.803 -0.599 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 2.622 117.064 114.554 -0.187 0.000 2.824 2046 T HA 0.764 5.114 4.350 -0.000 0.000 0.282 2046 T C -1.030 173.687 174.700 0.028 0.000 0.993 2046 T CA -0.427 61.587 62.100 -0.145 0.000 0.967 2046 T CB 0.381 69.170 68.868 -0.131 0.000 0.960 2046 T HN 0.449 nan 8.240 nan 0.000 0.441 2047 F N -0.048 119.818 119.950 -0.142 0.000 2.685 2047 F HA 0.745 5.272 4.527 0.000 0.000 0.315 2047 F C -1.388 174.396 175.800 -0.027 0.000 1.126 2047 F CA -1.338 56.643 58.000 -0.032 0.000 0.950 2047 F CB 1.210 40.269 39.000 0.097 0.000 1.360 2047 F HN 0.294 nan 8.300 nan 0.000 0.469 2048 D N 1.907 122.417 120.400 0.183 0.000 2.329 2048 D HA 0.428 5.068 4.640 -0.000 0.000 0.232 2048 D C -2.093 174.362 176.300 0.258 0.000 1.088 2048 D CA -2.584 51.471 54.000 0.091 0.000 0.835 2048 D CB 2.075 42.938 40.800 0.105 0.000 1.078 2048 D HN 0.219 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 1.064 64.314 63.100 0.250 0.000 0.800 2049 P CB 0.278 31.983 31.700 0.008 0.000 0.772 2050 A N -0.627 122.307 122.820 0.189 0.000 2.015 2050 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 2050 A C 2.063 179.720 177.584 0.122 0.000 1.163 2050 A CA 1.594 53.723 52.037 0.153 0.000 0.646 2050 A CB -0.925 18.156 19.000 0.134 0.000 0.806 2050 A HN 0.157 nan 8.150 nan 0.000 0.448 2051 N N -0.370 118.411 118.700 0.135 0.000 2.305 2051 N HA 0.039 4.779 4.740 -0.000 0.000 0.179 2051 N C 0.578 176.124 175.510 0.060 0.000 1.019 2051 N CA 1.052 54.158 53.050 0.095 0.000 0.869 2051 N CB 0.074 38.623 38.487 0.103 0.000 1.000 2051 N HN 0.774 nan 8.380 nan 0.000 0.431 2052 R N -1.340 119.219 120.500 0.098 0.000 2.664 2052 R HA 0.437 4.777 4.340 -0.000 0.000 0.266 2052 R C -0.542 175.764 176.300 0.010 0.000 1.046 2052 R CA -0.518 55.555 56.100 -0.046 0.000 0.885 2052 R CB 0.892 31.047 30.300 -0.241 0.000 1.254 2052 R HN -0.042 nan 8.270 nan 0.000 0.465 2053 S N -0.454 115.205 115.700 -0.068 0.000 2.744 2053 S HA 0.186 4.656 4.470 -0.000 0.000 0.265 2053 S C -0.120 174.557 174.600 0.128 0.000 1.065 2053 S CA -0.166 58.109 58.200 0.126 0.000 1.191 2053 S CB 0.786 64.110 63.200 0.207 0.000 1.150 2053 S HN 0.242 nan 8.310 nan 0.000 0.646 2054 V N 2.986 122.792 119.914 -0.180 0.000 2.398 2054 V HA 0.660 4.780 4.120 -0.000 0.000 0.286 2054 V C -1.204 174.620 176.094 -0.450 0.000 1.026 2054 V CA -0.427 61.780 62.300 -0.155 0.000 0.868 2054 V CB 0.803 32.535 31.823 -0.151 0.000 0.982 2054 V HN 0.398 nan 8.190 nan 0.000 0.443 2055 F N 1.638 121.518 119.950 -0.116 0.000 2.563 2055 F HA 0.540 5.067 4.527 -0.000 0.000 0.316 2055 F C 0.112 175.832 175.800 -0.133 0.000 1.076 2055 F CA -0.863 57.068 58.000 -0.115 0.000 0.921 2055 F CB 2.078 41.018 39.000 -0.099 0.000 1.209 2055 F HN 0.394 nan 8.300 nan 0.000 0.462 2056 D N 2.414 122.844 120.400 0.050 0.000 2.471 2056 D HA 0.382 5.022 4.640 -0.000 0.000 0.245 2056 D C -1.017 175.292 176.300 0.015 0.000 1.116 2056 D CA -0.109 53.882 54.000 -0.015 0.000 0.853 2056 D CB 2.548 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 2.173 122.069 119.914 -0.029 0.000 2.481 2057 V HA 0.259 4.379 4.120 -0.000 0.000 0.286 2057 V C 0.602 176.668 176.094 -0.046 0.000 1.042 2057 V CA -0.252 62.039 62.300 -0.015 0.000 0.928 2057 V CB 1.744 33.533 31.823 -0.056 0.000 0.986 2057 V HN 0.462 nan 8.190 nan 0.000 0.462 2058 T N 7.203 121.753 114.554 -0.007 0.000 2.853 2058 T HA 0.371 4.721 4.350 -0.000 0.000 0.317 2058 T C -2.130 172.585 174.700 0.026 0.000 1.059 2058 T CA -0.773 61.322 62.100 -0.007 0.000 0.954 2058 T CB 1.038 69.904 68.868 -0.002 0.000 0.994 2058 T HN 0.571 nan 8.240 nan 0.000 0.479 2059 P HA 0.457 nan 4.420 nan 0.000 0.275 2059 P C -0.531 176.825 177.300 0.094 0.000 1.266 2059 P CA -0.649 62.535 63.100 0.139 0.000 0.793 2059 P CB 0.685 32.581 31.700 0.328 0.000 1.074 2060 A N 1.006 123.870 122.820 0.074 0.000 2.371 2060 A HA 0.172 4.492 4.320 -0.000 0.000 0.257 2060 A C 0.298 177.854 177.584 -0.047 0.000 1.089 2060 A CA -0.488 51.543 52.037 -0.009 0.000 0.794 2060 A CB -0.698 18.266 19.000 -0.061 0.000 1.029 2060 A HN 0.588 nan 8.150 nan 0.000 0.488 2061 N N 0.859 119.527 118.700 -0.053 0.000 3.083 2061 N HA 0.397 5.137 4.740 -0.000 0.000 0.260 2061 N C -1.372 174.077 175.510 -0.102 0.000 1.163 2061 N CA -0.175 52.845 53.050 -0.051 0.000 1.060 2061 N CB 0.648 39.127 38.487 -0.014 0.000 1.345 2061 N HN 0.346 nan 8.380 nan 0.000 0.515 2062 V N 0.956 120.739 119.914 -0.218 0.000 2.483 2062 V HA 0.559 4.679 4.120 -0.000 0.000 0.297 2062 V C 1.008 176.976 176.094 -0.210 0.000 1.027 2062 V CA -0.642 61.501 62.300 -0.262 0.000 0.855 2062 V CB 1.052 32.583 31.823 -0.486 0.000 0.995 2062 V HN 0.733 nan 8.190 nan 0.000 0.424 2063 G N 5.284 114.044 108.800 -0.067 0.000 2.602 2063 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.306 2063 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.306 2063 G C -0.079 174.810 174.900 -0.018 0.000 1.301 2063 G CA 0.509 45.593 45.100 -0.026 0.000 0.974 2063 G HN 0.786 nan 8.290 nan 0.000 0.547 2064 I N 0.765 121.346 120.570 0.019 0.000 2.304 2064 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 2064 I C 0.398 176.549 176.117 0.056 0.000 1.018 2064 I CA -0.689 60.623 61.300 0.019 0.000 1.260 2064 I CB 1.550 39.551 38.000 0.001 0.000 1.390 2064 I HN 0.295 nan 8.210 nan 0.000 0.475 2065 V N 7.610 127.531 119.914 0.012 0.000 2.461 2065 V HA 0.150 4.270 4.120 -0.000 0.000 0.275 2065 V C 0.878 176.921 176.094 -0.084 0.000 1.047 2065 V CA -0.219 62.055 62.300 -0.042 0.000 0.955 2065 V CB 1.144 32.904 31.823 -0.105 0.000 0.988 2065 V HN 0.747 nan 8.190 nan 0.000 0.471 2066 K N 2.915 123.271 120.400 -0.074 0.000 2.276 2066 K HA 0.471 4.791 4.320 -0.000 0.000 0.198 2066 K C 0.825 177.357 176.600 -0.112 0.000 1.052 2066 K CA 0.717 57.004 56.287 -0.001 0.000 0.984 2066 K CB 0.598 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 -0.173 108.346 108.800 -0.469 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 -1.959 172.094 174.900 -1.412 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 -0.481 118.867 119.950 -1.003 0.000 2.547 2068 F HA 0.659 5.186 4.527 -0.000 0.000 0.316 2068 F C -0.244 175.425 175.800 -0.218 0.000 1.121 2068 F CA -0.810 56.951 58.000 -0.399 0.000 0.911 2068 F CB 2.348 41.215 39.000 -0.222 0.000 1.179 2068 F HN 0.421 nan 8.300 nan 0.000 0.443 2069 L N 4.493 125.979 121.223 0.438 0.000 2.272 2069 L HA 0.714 5.054 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 1.098 43.578 42.059 0.702 0.000 1.205 2069 L HN 0.400 nan 8.230 nan 0.000 0.422 2070 V N 5.688 125.899 119.914 0.495 0.000 2.357 2070 V HA 0.395 4.515 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 -0.803 61.725 62.300 0.380 0.000 0.841 2070 V CB 1.159 33.142 31.823 0.266 0.000 0.991 2070 V HN 0.719 nan 8.190 nan 0.000 0.437 2071 K N 4.292 124.786 120.400 0.156 0.000 2.201 2071 K HA 0.692 5.012 4.320 -0.000 0.000 0.278 2071 K C -1.339 175.240 176.600 -0.034 0.000 1.027 2071 K CA -0.366 55.747 56.287 -0.291 0.000 0.909 2071 K CB 1.538 33.903 32.500 -0.224 0.000 1.062 2071 K HN 0.502 nan 8.250 nan 0.000 0.465 2072 V N 3.504 123.376 119.914 -0.071 0.000 2.531 2072 V HA 0.358 4.478 4.120 -0.000 0.000 0.301 2072 V C -0.298 175.808 176.094 0.021 0.000 1.034 2072 V CA -0.841 61.521 62.300 0.103 0.000 0.865 2072 V CB 1.625 33.636 31.823 0.312 0.000 0.995 2072 V HN 1.014 nan 8.190 nan 0.000 0.424 2073 T N 1.269 115.826 114.554 0.004 0.000 2.924 2073 T HA 0.971 5.321 4.350 -0.000 0.000 0.291 2073 T C -0.488 174.216 174.700 0.006 0.000 1.045 2073 T CA -0.471 61.635 62.100 0.010 0.000 1.015 2073 T CB 2.345 71.209 68.868 -0.006 0.000 1.103 2073 T HN 1.431 nan 8.240 nan 0.000 0.496 2074 A N 0.481 123.341 122.820 0.068 0.000 2.612 2074 A HA 0.908 5.228 4.320 -0.000 0.000 0.293 2074 A C -1.063 176.606 177.584 0.141 0.000 1.075 2074 A CA -0.756 51.353 52.037 0.120 0.000 0.680 2074 A CB 1.184 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 1.117 124.027 122.820 0.149 0.000 2.330 2075 A HA 0.773 5.093 4.320 -0.000 0.000 0.313 2075 A C -0.908 176.742 177.584 0.110 0.000 1.124 2075 A CA -0.269 51.824 52.037 0.094 0.000 0.774 2075 A CB 0.404 19.431 19.000 0.045 0.000 1.198 2075 A HN 0.765 nan 8.150 nan 0.000 0.465 2076 I N 1.956 122.537 120.570 0.018 0.000 2.436 2076 I HA 0.373 4.543 4.170 -0.000 0.000 0.289 2076 I C -0.278 175.741 176.117 -0.163 0.000 1.010 2076 I CA -0.243 60.995 61.300 -0.103 0.000 1.098 2076 I CB 2.568 40.472 38.000 -0.159 0.000 1.266 2076 I HN 0.560 nan 8.210 nan 0.000 0.434 2077 T N 4.238 118.682 114.554 -0.183 0.000 2.797 2077 T HA 0.241 4.591 4.350 -0.000 0.000 0.279 2077 T C -0.181 174.360 174.700 -0.265 0.000 0.991 2077 T CA -0.559 61.432 62.100 -0.181 0.000 0.979 2077 T CB 1.003 69.805 68.868 -0.110 0.000 0.943 2077 T HN 0.410 nan 8.240 nan 0.000 0.444 2078 N N 2.903 121.456 118.700 -0.245 0.000 2.500 2078 N HA 0.139 4.879 4.740 -0.000 0.000 0.236 2078 N C 0.408 175.833 175.510 -0.142 0.000 1.022 2078 N CA -0.455 52.447 53.050 -0.247 0.000 0.935 2078 N CB 0.257 38.607 38.487 -0.228 0.000 1.147 2078 N HN 0.395 nan 8.380 nan 0.000 0.512 2079 N N 1.424 120.046 118.700 -0.130 0.000 2.461 2079 N HA -0.085 4.655 4.740 -0.000 0.000 0.188 2079 N C -0.161 175.315 175.510 -0.057 0.000 1.134 2079 N CA 0.083 53.082 53.050 -0.086 0.000 0.878 2079 N CB -0.149 38.285 38.487 -0.089 0.000 0.972 2079 N HN 0.647 nan 8.380 nan 0.000 0.456 2080 H N 0.461 119.463 119.070 -0.114 0.000 2.897 2080 H HA 0.159 4.715 4.556 -0.000 0.000 0.347 2080 H C 1.285 176.574 175.328 -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 2.751 125.387 122.820 -0.306 0.000 1.930 2081 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 2081 A C 1.978 179.581 177.584 0.031 0.000 1.175 2081 A CA 2.113 54.074 52.037 -0.128 0.000 0.627 2081 A CB -0.473 18.416 19.000 -0.184 0.000 0.815 2081 A HN 0.873 nan 8.150 nan 0.000 0.443 2082 T N -4.830 109.866 114.554 0.237 0.000 3.010 2082 T HA 0.193 4.543 4.350 -0.000 0.000 0.253 2082 T C 0.296 175.078 174.700 0.135 0.000 0.939 2082 T CA -0.221 61.985 62.100 0.177 0.000 0.910 2082 T CB 0.113 69.057 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 -0.276 176.240 176.600 -0.139 0.000 1.002 2083 E CA -0.461 55.848 56.400 -0.152 0.000 0.841 2083 E CB 1.949 31.387 29.700 -0.437 0.000 1.109 2083 E HN 0.529 nan 8.360 nan 0.000 0.394 2084 A N 1.612 124.370 122.820 -0.103 0.000 2.247 2084 A HA 0.687 5.007 4.320 -0.000 0.000 0.313 2084 A C -0.115 177.419 177.584 -0.083 0.000 1.109 2084 A CA -0.544 51.444 52.037 -0.081 0.000 0.890 2084 A CB 0.764 19.739 19.000 -0.043 0.000 1.239 2084 A HN 0.399 nan 8.150 nan 0.000 0.506 2085 V N -4.019 115.863 119.914 -0.054 0.000 3.078 2085 V HA 0.943 5.063 4.120 -0.000 0.000 0.311 2085 V C -0.239 175.942 176.094 0.145 0.000 1.138 2085 V CA -0.323 61.994 62.300 0.028 0.000 1.007 2085 V CB 1.109 32.945 31.823 0.022 0.000 1.045 2085 V HN 1.893 nan 8.190 nan 0.000 0.432 2086 A N 2.608 125.568 122.820 0.233 0.000 2.413 2086 A HA 0.861 5.181 4.320 -0.000 0.000 0.307 2086 A C -0.581 177.128 177.584 0.208 0.000 1.087 2086 A CA -0.987 51.197 52.037 0.245 0.000 0.750 2086 A CB 1.490 20.552 19.000 0.103 0.000 1.296 2086 A HN 1.089 nan 8.150 nan 0.000 0.423 2087 L N 1.828 123.063 121.223 0.021 0.000 2.514 2087 L HA 0.163 4.503 4.340 -0.000 0.000 0.280 2087 L C 1.506 178.280 176.870 -0.161 0.000 1.223 2087 L CA 0.073 54.721 54.840 -0.319 0.000 0.864 2087 L CB 0.551 42.458 42.059 -0.254 0.000 1.118 2087 L HN 1.004 nan 8.230 nan 0.000 0.494 2088 T N -1.948 112.486 114.554 -0.200 0.000 2.732 2088 T HA 0.078 4.428 4.350 -0.000 0.000 0.287 2088 T C 0.749 175.374 174.700 -0.125 0.000 0.993 2088 T CA -0.756 61.246 62.100 -0.162 0.000 0.966 2088 T CB 0.748 69.488 68.868 -0.214 0.000 1.047 2088 T HN 0.506 nan 8.240 nan 0.000 0.527 2089 D N -0.268 120.032 120.400 -0.166 0.000 2.178 2089 D HA -0.003 4.637 4.640 -0.000 0.000 0.201 2089 D C 1.536 178.001 176.300 0.273 0.000 0.980 2089 D CA 1.031 55.028 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 0.182 120.075 119.950 -0.094 0.000 2.473 2090 F HA 0.243 4.770 4.527 0.000 0.000 0.294 2090 F C 2.187 177.944 175.800 -0.071 0.000 1.103 2090 F CA 0.453 58.434 58.000 -0.032 0.000 1.442 2090 F CB -0.941 38.016 39.000 -0.071 0.000 1.097 2090 F HN -0.022 nan 8.300 nan 0.000 0.547 2091 G N 2.621 111.453 108.800 0.053 0.000 2.672 2091 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.324 2091 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.324 2091 G C -1.122 173.759 174.900 -0.032 0.000 1.286 2091 G CA 0.551 45.599 45.100 -0.087 0.000 1.004 2091 G HN 0.209 nan 8.290 nan 0.000 0.548 2092 P HA 0.020 nan 4.420 nan 0.000 0.225 2092 P C 1.653 178.959 177.300 0.011 0.000 1.148 2092 P CA 2.410 65.519 63.100 0.015 0.000 0.779 2092 P CB -0.394 31.306 31.700 0.001 0.000 0.780 2093 A N 0.085 122.868 122.820 -0.061 0.000 2.121 2093 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 2093 A C 1.861 179.569 177.584 0.206 0.000 1.154 2093 A CA 1.055 53.045 52.037 -0.078 0.000 0.679 2093 A CB -1.015 17.820 19.000 -0.275 0.000 0.795 2093 A HN 0.128 nan 8.150 nan 0.000 0.458 2094 N N -0.326 118.498 118.700 0.207 0.000 2.314 2094 N HA 0.175 4.915 4.740 -0.000 0.000 0.200 2094 N C 1.097 176.745 175.510 0.230 0.000 1.135 2094 N CA 0.091 53.286 53.050 0.243 0.000 0.835 2094 N CB 0.045 38.662 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 -0.019 4.321 4.340 -0.000 0.000 0.209 2095 L C 0.352 177.400 176.870 0.296 0.000 1.094 2095 L CA 0.827 55.864 54.840 0.327 0.000 0.763 2095 L CB 0.173 42.447 42.059 0.359 0.000 0.908 2095 L HN -0.112 nan 8.230 nan 0.000 0.437 2096 V N 0.043 120.054 119.914 0.161 0.000 2.370 2096 V HA 0.117 4.237 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 -0.517 61.639 62.300 -0.240 0.000 0.857 2096 V CB 1.657 33.022 31.823 -0.763 0.000 0.985 2096 V HN 0.188 nan 8.190 nan 0.000 0.443 2097 Q N 3.506 123.217 119.800 -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 1.046 56.806 55.803 -0.072 0.000 0.834 2097 Q CB 0.418 29.151 28.738 -0.009 0.000 0.906 2097 Q HN 0.588 nan 8.270 nan 0.000 0.452 2098 R N -0.561 119.793 120.500 -0.243 0.000 2.668 2098 R HA 0.582 4.922 4.340 -0.000 0.000 0.272 2098 R C -1.431 174.675 176.300 -0.325 0.000 1.019 2098 R CA -0.438 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 3.615 123.341 119.914 -0.313 0.000 2.588 2099 V HA 0.598 4.718 4.120 -0.000 0.000 0.304 2099 V C -0.864 175.091 176.094 -0.231 0.000 1.042 2099 V CA -0.776 61.334 62.300 -0.317 0.000 0.877 2099 V CB 1.944 33.546 31.823 -0.370 0.000 0.996 2099 V HN 0.538 nan 8.190 nan 0.000 0.425 2100 I N 4.650 125.102 120.570 -0.196 0.000 2.569 2100 I HA 0.485 4.655 4.170 -0.000 0.000 0.290 2100 I C -1.140 174.873 176.117 -0.173 0.000 1.088 2100 I CA -0.513 60.677 61.300 -0.184 0.000 1.047 2100 I CB 2.005 39.930 38.000 -0.126 0.000 1.237 2100 I HN 0.648 nan 8.210 nan 0.000 0.421 2101 Y N 6.003 126.081 120.300 -0.370 0.000 2.429 2101 Y HA 0.718 5.268 4.550 -0.000 0.000 0.342 2101 Y C -1.733 173.901 175.900 -0.442 0.000 1.004 2101 Y CA -0.877 57.032 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 -0.940 0.000 2.391 2102 Y HA 0.296 4.846 4.550 -0.000 0.000 0.341 2102 Y C -0.262 175.053 175.900 -0.974 0.000 0.965 2102 Y CA -1.132 56.595 58.100 -0.621 0.000 1.067 2102 Y CB 1.303 39.567 38.460 -0.326 0.000 1.199 2102 Y HN 0.720 nan 8.280 nan 0.000 0.450 2103 D N 2.463 122.684 120.400 -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 -2.196 51.736 54.000 -0.113 0.000 1.015 2103 D CB 0.310 41.219 40.800 0.182 0.000 1.091 2103 D HN 0.163 nan 8.370 nan 0.000 0.527 2104 P HA -0.084 nan 4.420 nan 0.000 0.219 2104 P C 0.121 177.440 177.300 0.031 0.000 1.146 2104 P CA 1.106 64.221 63.100 0.025 0.000 0.808 2104 P CB 0.082 31.808 31.700 0.043 0.000 0.779 2105 D N -1.892 118.544 120.400 0.061 0.000 2.328 2105 D HA 0.019 4.659 4.640 -0.000 0.000 0.226 2105 D C 0.331 176.668 176.300 0.061 0.000 1.066 2105 D CA 0.187 54.223 54.000 0.059 0.000 0.861 2105 D CB -1.032 39.814 40.800 0.077 0.000 0.912 2105 D HN 0.209 nan 8.370 nan 0.000 0.521 2106 N N 0.369 119.105 118.700 0.060 0.000 2.782 2106 N HA -0.245 4.495 4.740 -0.000 0.000 0.251 2106 N C -0.224 175.404 175.510 0.197 0.000 1.101 2106 N CA 0.076 53.171 53.050 0.076 0.000 0.764 2106 N CB -0.412 38.072 38.487 -0.004 0.000 1.122 2106 N HN 0.135 nan 8.380 nan 0.000 0.561 2107 Q N 1.612 121.531 119.800 0.197 0.000 2.267 2107 Q HA 0.267 4.607 4.340 -0.000 0.000 0.255 2107 Q C -0.241 175.891 176.000 0.220 0.000 0.923 2107 Q CA -0.281 55.638 55.803 0.194 0.000 0.925 2107 Q CB 0.902 29.723 28.738 0.138 0.000 1.195 2107 Q HN 0.260 nan 8.270 nan 0.000 0.417 2108 R N 3.734 124.287 120.500 0.089 0.000 2.438 2108 R HA 0.192 4.532 4.340 -0.000 0.000 0.287 2108 R C -0.108 176.166 176.300 -0.045 0.000 1.077 2108 R CA 0.065 56.045 56.100 -0.201 0.000 1.034 2108 R CB 0.413 30.555 30.300 -0.264 0.000 0.993 2108 R HN 0.876 nan 8.270 nan 0.000 0.459 2109 H N 1.035 120.021 119.070 -0.140 0.000 4.873 2109 H HA 0.148 4.704 4.556 -0.000 0.000 0.150 2109 H C 0.038 175.262 175.328 -0.173 0.000 1.395 2109 H CA -0.460 55.546 56.048 -0.071 0.000 0.838 2109 H CB 0.137 29.942 29.762 0.073 0.000 1.471 2109 H HN 0.442 nan 8.280 nan 0.000 0.374 2110 T N 1.789 116.320 114.554 -0.039 0.000 2.928 2110 T HA 0.012 4.362 4.350 -0.000 0.000 0.305 2110 T C 0.248 174.856 174.700 -0.154 0.000 1.035 2110 T CA 0.604 62.603 62.100 -0.167 0.000 1.145 2110 T CB 0.243 68.974 68.868 -0.229 0.000 0.963 2110 T HN 0.368 nan 8.240 nan 0.000 0.545 2111 E N 2.391 122.510 120.200 -0.135 0.000 2.649 2111 E HA 0.335 4.685 4.350 -0.000 0.000 0.310 2111 E C -1.000 175.545 176.600 -0.092 0.000 1.036 2111 E CA -0.329 55.999 56.400 -0.120 0.000 0.772 2111 E CB 1.101 30.750 29.700 -0.085 0.000 1.513 2111 E HN 0.665 nan 8.360 nan 0.000 0.384 2112 T N 0.473 114.942 114.554 -0.143 0.000 2.671 2112 T HA 0.406 4.756 4.350 -0.000 0.000 0.300 2112 T C -0.897 173.646 174.700 -0.262 0.000 1.238 2112 T CA -0.171 61.837 62.100 -0.152 0.000 1.020 2112 T CB 1.211 70.051 68.868 -0.046 0.000 1.503 2112 T HN 0.357 nan 8.240 nan 0.000 0.497 2113 S N -0.062 115.397 115.700 -0.402 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 0.016 57.893 58.200 -0.537 0.000 1.023 2113 S CB 0.929 63.516 63.200 -1.021 0.000 0.962 2113 S HN 1.064 nan 8.310 nan 0.000 0.523 2114 G N 1.308 109.880 108.800 -0.381 0.000 2.418 2114 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 2114 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 2114 G C 1.316 176.177 174.900 -0.065 0.000 1.158 2114 G CA 0.777 45.709 45.100 -0.281 0.000 0.771 2114 G HN 0.961 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 1.797 178.003 176.519 -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 28.099 29.460 -0.456 0.000 1.131 2115 W HN 0.424 nan 8.180 nan 0.000 0.530 2116 H N 1.175 119.827 119.070 -0.696 0.000 2.326 2116 H HA -0.178 4.378 4.556 -0.000 0.000 0.301 2116 H C 2.366 177.569 175.328 -0.209 0.000 1.081 2116 H CA 1.771 57.560 56.048 -0.431 0.000 1.334 2116 H CB -0.098 29.219 29.762 -0.741 0.000 1.385 2116 H HN 0.104 nan 8.280 nan 0.000 0.504 2117 L N 1.032 122.013 121.223 -0.404 0.000 2.042 2117 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 2117 L C 2.542 179.307 176.870 -0.175 0.000 1.076 2117 L CA 2.430 57.070 54.840 -0.332 0.000 0.749 2117 L CB -1.156 40.771 42.059 -0.219 0.000 0.893 2117 L HN 0.371 nan 8.230 nan 0.000 0.432 2118 H N -1.061 117.923 119.070 -0.144 0.000 2.353 2118 H HA -0.184 4.372 4.556 0.000 0.000 0.300 2118 H C 1.931 177.233 175.328 -0.043 0.000 1.090 2118 H CA 2.227 58.188 56.048 -0.145 0.000 1.327 2118 H CB -0.549 29.104 29.762 -0.182 0.000 1.383 2118 H HN 0.468 nan 8.280 nan 0.000 0.508 2119 F N -0.772 119.084 119.950 -0.157 0.000 2.216 2119 F HA -0.155 4.372 4.527 -0.000 0.000 0.300 2119 F C 2.508 178.255 175.800 -0.089 0.000 1.085 2119 F CA 0.538 58.497 58.000 -0.069 0.000 1.326 2119 F CB -0.031 38.963 39.000 -0.010 0.000 1.027 2119 F HN 0.083 nan 8.300 nan 0.000 0.497 2120 V N 0.244 120.158 119.914 -0.001 0.000 2.453 2120 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 2120 V C 1.637 177.670 176.094 -0.102 0.000 1.048 2120 V CA 1.948 64.227 62.300 -0.036 0.000 1.049 2120 V CB -0.782 30.952 31.823 -0.149 0.000 0.672 2120 V HN 0.377 nan 8.190 nan 0.000 0.457 2121 N N -0.267 118.277 118.700 -0.260 0.000 2.104 2121 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 2121 N C 1.839 177.201 175.510 -0.247 0.000 1.024 2121 N CA 1.788 54.553 53.050 -0.475 0.000 0.853 2121 N CB -0.207 37.551 38.487 -1.215 0.000 1.008 2121 N HN 0.411 nan 8.380 nan 0.000 0.424 2122 T N 0.600 115.043 114.554 -0.185 0.000 2.708 2122 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 2122 T C 2.067 176.732 174.700 -0.059 0.000 1.037 2122 T CA 1.218 63.285 62.100 -0.055 0.000 1.146 2122 T CB -0.340 68.471 68.868 -0.095 0.000 0.865 2122 T HN 0.332 nan 8.240 nan 0.000 0.435 2123 A N 1.645 124.441 122.820 -0.040 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 1.696 53.675 52.037 -0.097 0.000 0.627 2123 A CB -0.424 18.485 19.000 -0.150 0.000 0.818 2123 A HN 0.477 nan 8.150 nan 0.000 0.445 2124 K N -0.959 119.438 120.400 -0.004 0.000 2.296 2124 K HA -0.084 4.236 4.320 -0.000 0.000 0.200 2124 K C 2.224 178.811 176.600 -0.021 0.000 1.048 2124 K CA 1.138 57.416 56.287 -0.015 0.000 0.966 2124 K CB -0.031 32.434 32.500 -0.057 0.000 0.754 2124 K HN 0.695 nan 8.250 nan 0.000 0.466 2125 Q N -0.050 119.755 119.800 0.007 0.000 2.212 2125 Q HA -0.062 4.278 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 1.212 57.026 55.803 0.018 0.000 0.863 2125 Q CB 0.381 29.182 28.738 0.105 0.000 0.944 2125 Q HN 0.388 nan 8.270 nan 0.000 0.465 2126 G N -0.523 108.260 108.800 -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 -0.059 174.800 174.900 -0.069 0.000 0.984 2126 G CA 0.161 45.235 45.100 -0.044 0.000 0.660 2126 G HN 0.832 nan 8.290 nan 0.000 0.525 2127 A N -1.316 121.460 122.820 -0.074 0.000 2.567 2127 A HA 0.786 5.106 4.320 -0.000 0.000 0.291 2127 A C -3.153 174.395 177.584 -0.061 0.000 1.048 2127 A CA -0.694 51.291 52.037 -0.087 0.000 0.661 2127 A CB 0.622 19.583 19.000 -0.066 0.000 1.288 2127 A HN 0.169 nan 8.150 nan 0.000 0.424 2128 P HA 0.125 nan 4.420 nan 0.000 0.258 2128 P C -0.364 176.997 177.300 0.102 0.000 1.172 2128 P CA 0.536 63.646 63.100 0.017 0.000 0.762 2128 P CB -0.134 31.579 31.700 0.021 0.000 0.764 2129 F N 5.799 125.744 119.950 -0.008 0.000 2.593 2129 F HA -0.057 4.470 4.527 -0.000 0.000 0.393 2129 F C 1.141 176.960 175.800 0.031 0.000 1.037 2129 F CA 0.341 58.348 58.000 0.012 0.000 1.195 2129 F CB -0.459 38.569 39.000 0.046 0.000 1.034 2129 F HN 0.271 nan 8.300 nan 0.000 0.552 2130 L N 3.567 124.452 121.223 -0.564 0.000 3.839 2130 L HA -0.321 4.019 4.340 -0.000 0.000 0.416 2130 L C 0.611 177.336 176.870 -0.241 0.000 1.195 2130 L CA 0.553 55.070 54.840 -0.537 0.000 0.946 2130 L CB -2.380 39.206 42.059 -0.789 0.000 1.891 2130 L HN 0.720 nan 8.230 nan 0.000 0.963 2131 S N -1.866 113.755 115.700 -0.131 0.000 2.632 2131 S HA 0.533 5.003 4.470 -0.000 0.000 0.267 2131 S C 0.300 174.854 174.600 -0.078 0.000 1.276 2131 S CA -0.060 58.099 58.200 -0.067 0.000 0.998 2131 S CB 2.196 65.382 63.200 -0.024 0.000 0.953 2131 S HN 0.270 nan 8.310 nan 0.000 0.547 2132 S N 1.885 117.555 115.700 -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 57.158 58.200 -0.043 0.000 1.107 2132 S CB -0.385 62.800 63.200 -0.024 0.000 0.981 2132 S HN 0.783 nan 8.310 nan 0.000 0.466 2133 M N 4.305 123.877 119.600 -0.046 0.000 2.242 2133 M HA 0.562 5.042 4.480 -0.000 0.000 0.344 2133 M C -0.905 175.377 176.300 -0.030 0.000 1.140 2133 M CA -0.444 54.831 55.300 -0.042 0.000 1.160 2133 M CB 0.608 33.173 32.600 -0.058 0.000 1.491 2133 M HN 0.248 nan 8.290 nan 0.000 0.459 2134 V N 2.858 122.758 119.914 -0.022 0.000 2.439 2134 V HA 0.585 4.705 4.120 -0.000 0.000 0.282 2134 V C 0.496 176.581 176.094 -0.017 0.000 1.039 2134 V CA -0.137 62.157 62.300 -0.011 0.000 0.913 2134 V CB 1.130 32.950 31.823 -0.004 0.000 0.983 2134 V HN 1.110 nan 8.190 nan 0.000 0.460 2135 T N -0.225 114.323 114.554 -0.010 0.000 2.804 2135 T HA 0.352 4.702 4.350 -0.000 0.000 0.290 2135 T C 0.264 174.966 174.700 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 -0.160 120.241 120.400 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 1.816 117.541 115.700 0.041 0.000 2.525 2137 S HA 0.090 4.560 4.470 -0.000 0.000 0.285 2137 S C -1.044 173.609 174.600 0.088 0.000 1.283 2137 S CA -0.930 57.319 58.200 0.082 0.000 1.072 2137 S CB 1.014 64.308 63.200 0.156 0.000 0.867 2137 S HN 0.098 nan 8.310 nan 0.000 0.492 2138 P HA 0.070 nan 4.420 nan 0.000 0.225 2138 P C 0.137 177.454 177.300 0.029 0.000 1.156 2138 P CA 0.313 63.436 63.100 0.039 0.000 0.787 2138 P CB -0.031 31.684 31.700 0.025 0.000 0.802 2139 I N 1.110 121.711 120.570 0.052 0.000 2.648 2139 I HA -0.022 4.148 4.170 -0.000 0.000 0.284 2139 I C 1.361 177.426 176.117 -0.087 0.000 1.153 2139 I CA 0.288 61.561 61.300 -0.044 0.000 1.426 2139 I CB 0.194 38.163 38.000 -0.052 0.000 1.381 2139 I HN -0.271 nan 8.210 nan 0.000 0.571 2140 K N 6.509 126.802 120.400 -0.179 0.000 3.233 2140 K HA 0.078 4.398 4.320 -0.000 0.000 0.283 2140 K C -0.723 175.783 176.600 -0.157 0.000 1.209 2140 K CA 0.005 56.215 56.287 -0.129 0.000 1.197 2140 K CB -0.545 31.897 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 0.543 58.628 58.100 -0.025 0.000 1.465 2141 Y CB 0.935 39.378 38.460 -0.028 0.000 1.350 2141 Y HN 0.428 nan 8.280 nan 0.000 0.575 2142 G N 0.162 109.055 108.800 0.155 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 -1.774 173.149 174.900 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 0.573 120.987 120.400 0.023 0.000 2.517 2143 D HA 0.454 5.094 4.640 -0.000 0.000 0.220 2143 D C 1.382 177.689 176.300 0.011 0.000 1.158 2143 D CA 0.088 54.095 54.000 0.012 0.000 0.992 2143 D CB 0.712 41.519 40.800 0.012 0.000 1.058 2143 D HN 0.251 nan 8.370 nan 0.000 0.516 2144 V N 2.841 122.760 119.914 0.008 0.000 2.685 2144 V HA -0.027 4.093 4.120 -0.000 0.000 0.244 2144 V C 1.855 177.951 176.094 0.003 0.000 1.054 2144 V CA 0.786 63.087 62.300 0.002 0.000 1.076 2144 V CB -0.125 31.695 31.823 -0.005 0.000 0.725 2144 V HN 0.558 nan 8.190 nan 0.000 0.467 2145 M N -0.464 119.137 119.600 0.001 0.000 2.371 2145 M HA 0.293 4.773 4.480 -0.000 0.000 0.246 2145 M C 0.361 176.674 176.300 0.022 0.000 1.103 2145 M CA 0.071 55.375 55.300 0.006 0.000 1.010 2145 M CB -0.586 32.009 32.600 -0.009 0.000 1.457 2145 M HN 0.378 nan 8.290 nan 0.000 0.486 2146 N N 1.190 119.902 118.700 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 53.348 53.050 0.037 0.000 0.759 2146 N CB -1.230 37.284 38.487 0.045 0.000 0.906 2146 N HN 0.155 nan 8.380 nan 0.000 0.541 2147 V N -0.222 119.712 119.914 0.034 0.000 2.287 2147 V HA -0.113 4.007 4.120 -0.000 0.000 0.248 2147 V C 1.409 177.605 176.094 0.170 0.000 1.053 2147 V CA 1.562 63.896 62.300 0.055 0.000 1.027 2147 V CB 0.015 31.752 31.823 -0.143 0.000 0.646 2147 V HN 0.409 nan 8.190 nan 0.000 0.447 2148 I N 0.494 121.115 120.570 0.085 0.000 2.410 2148 I HA 0.485 4.655 4.170 -0.000 0.000 0.286 2148 I C -1.129 175.025 176.117 0.061 0.000 1.009 2148 I CA -0.298 61.060 61.300 0.098 0.000 1.111 2148 I CB 1.723 39.764 38.000 0.067 0.000 1.262 2148 I HN 0.230 nan 8.210 nan 0.000 0.443 2149 D N 5.486 125.927 120.400 0.068 0.000 2.736 2149 D HA 0.801 5.441 4.640 -0.000 0.000 0.223 2149 D C -1.590 174.754 176.300 0.073 0.000 1.231 2149 D CA -0.320 53.717 54.000 0.062 0.000 0.818 2149 D CB 2.322 43.160 40.800 0.065 0.000 1.587 2149 D HN 0.674 nan 8.370 nan 0.000 0.463 2150 A N 2.574 125.441 122.820 0.077 0.000 2.532 2150 A HA 0.626 4.946 4.320 -0.000 0.000 0.296 2150 A C -2.821 174.842 177.584 0.131 0.000 1.058 2150 A CA -1.152 50.955 52.037 0.116 0.000 0.729 2150 A CB 1.402 20.453 19.000 0.086 0.000 1.285 2150 A HN 0.434 nan 8.150 nan 0.000 0.396 2151 P HA 0.311 nan 4.420 nan 0.000 0.268 2151 P C 0.975 178.402 177.300 0.212 0.000 1.204 2151 P CA 0.446 63.641 63.100 0.158 0.000 0.768 2151 P CB 1.322 33.096 31.700 0.123 0.000 0.842 2152 A N 3.500 126.402 122.820 0.136 0.000 1.978 2152 A HA -0.025 4.295 4.320 -0.000 0.000 0.220 2152 A C 1.100 178.800 177.584 0.192 0.000 1.170 2152 A CA 1.864 53.975 52.037 0.123 0.000 0.636 2152 A CB -0.921 18.123 19.000 0.073 0.000 0.810 2152 A HN 0.736 nan 8.150 nan 0.000 0.448 2153 T N -3.712 110.949 114.554 0.179 0.000 2.883 2153 T HA 0.679 5.029 4.350 -0.000 0.000 0.301 2153 T C -0.862 173.865 174.700 0.045 0.000 1.158 2153 T CA -0.625 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 0.176 nan 8.240 nan 0.000 0.499 2154 I N 1.696 122.218 120.570 -0.080 0.000 2.439 2154 I HA 0.577 4.747 4.170 -0.000 0.000 0.283 2154 I C 0.660 176.699 176.117 -0.130 0.000 1.023 2154 I CA -1.144 60.049 61.300 -0.179 0.000 1.100 2154 I CB 1.469 39.222 38.000 -0.410 0.000 1.238 2154 I HN 1.030 nan 8.210 nan 0.000 0.445 2155 A N 4.660 127.431 122.820 -0.082 0.000 2.327 2155 A HA 0.701 5.021 4.320 -0.000 0.000 0.255 2155 A C 0.623 178.167 177.584 -0.066 0.000 1.099 2155 A CA -0.246 51.756 52.037 -0.059 0.000 0.801 2155 A CB 0.395 19.374 19.000 -0.035 0.000 1.062 2155 A HN 0.835 nan 8.150 nan 0.000 0.496 2156 A N -0.367 122.431 122.820 -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 0.856 52.884 52.037 -0.014 0.000 0.757 2156 A CB -1.090 17.927 19.000 0.029 0.000 0.996 2156 A HN 2.735 nan 8.150 nan 0.000 0.504 2157 G N 0.897 109.671 108.800 -0.044 0.000 2.199 2157 G HA2 0.122 4.082 3.960 -0.000 0.000 0.254 2157 G HA3 0.122 4.082 3.960 -0.000 0.000 0.254 2157 G C 0.580 175.445 174.900 -0.058 0.000 0.982 2157 G CA 0.590 45.661 45.100 -0.049 0.000 0.632 2157 G HN 2.159 nan 8.290 nan 0.000 0.529 2158 A N -0.490 122.288 122.820 -0.071 0.000 2.264 2158 A HA 0.845 5.165 4.320 -0.000 0.000 0.304 2158 A C 0.277 177.803 177.584 -0.096 0.000 1.100 2158 A CA 0.703 52.696 52.037 -0.072 0.000 0.839 2158 A CB 1.028 19.987 19.000 -0.067 0.000 1.121 2158 A HN 0.716 nan 8.150 nan 0.000 0.496 2159 T N 0.516 115.024 114.554 -0.076 0.000 2.812 2159 T HA 0.618 4.968 4.350 -0.000 0.000 0.282 2159 T C 0.168 174.830 174.700 -0.063 0.000 0.990 2159 T CA 0.054 62.107 62.100 -0.079 0.000 0.960 2159 T CB 1.557 70.395 68.868 -0.049 0.000 0.948 2159 T HN 1.043 nan 8.240 nan 0.000 0.438 2160 G N 1.846 110.600 108.800 -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 -0.950 173.963 174.900 0.023 0.000 1.168 2160 G CA -0.603 44.479 45.100 -0.029 0.000 0.936 2160 G HN 0.488 nan 8.290 nan 0.000 0.479 2161 E N 0.957 121.188 120.200 0.052 0.000 2.171 2161 E HA 0.446 4.796 4.350 -0.000 0.000 0.271 2161 E C -0.386 176.274 176.600 0.099 0.000 0.916 2161 E CA -0.399 56.042 56.400 0.068 0.000 0.774 2161 E CB 2.374 32.103 29.700 0.048 0.000 1.128 2161 E HN 0.313 nan 8.360 nan 0.000 0.403 2162 L N 1.016 122.310 121.223 0.118 0.000 2.341 2162 L HA 0.665 5.005 4.340 -0.000 0.000 0.267 2162 L C -0.063 176.867 176.870 0.099 0.000 1.009 2162 L CA -0.886 54.031 54.840 0.128 0.000 0.819 2162 L CB 2.062 44.229 42.059 0.180 0.000 1.323 2162 L HN 0.315 nan 8.230 nan 0.000 0.425 2163 T N 2.217 116.825 114.554 0.089 0.000 2.921 2163 T HA 0.671 5.021 4.350 -0.000 0.000 0.297 2163 T C -0.829 173.911 174.700 0.066 0.000 1.013 2163 T CA -0.425 61.718 62.100 0.071 0.000 0.990 2163 T CB 2.229 71.161 68.868 0.106 0.000 1.023 2163 T HN 0.495 nan 8.240 nan 0.000 0.447 2164 M N 3.051 122.654 119.600 0.005 0.000 2.484 2164 M HA 0.689 5.169 4.480 -0.000 0.000 0.289 2164 M C -2.388 173.845 176.300 -0.112 0.000 1.206 2164 M CA -0.737 54.543 55.300 -0.035 0.000 0.892 2164 M CB 1.747 34.299 32.600 -0.080 0.000 1.712 2164 M HN 0.629 nan 8.290 nan 0.000 0.462 2165 Y N 2.577 122.831 120.300 -0.076 0.000 2.477 2165 Y HA 0.693 5.243 4.550 -0.000 0.000 0.347 2165 Y C -1.573 174.360 175.900 0.054 0.000 0.981 2165 Y CA -0.349 57.816 58.100 0.109 0.000 1.033 2165 Y CB 2.081 40.660 38.460 0.199 0.000 1.245 2165 Y HN 0.619 nan 8.280 nan 0.000 0.455 2166 Y N 1.338 121.924 120.300 0.477 0.000 2.477 2166 Y HA 0.268 4.818 4.550 -0.000 0.000 0.347 2166 Y C -0.941 175.182 175.900 0.372 0.000 0.981 2166 Y CA -1.505 56.779 58.100 0.307 0.000 1.033 2166 Y CB 1.957 40.476 38.460 0.098 0.000 1.245 2166 Y HN 0.644 nan 8.280 nan 0.000 0.455 2167 W N 5.185 126.583 121.300 0.164 0.000 2.329 2167 W HA 0.652 5.312 4.660 -0.000 0.000 0.312 2167 W C -1.833 174.712 176.519 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 9.452 129.069 119.914 -0.495 0.000 2.334 2168 V HA 0.181 4.301 4.120 -0.000 0.000 0.267 2168 V C -1.592 174.008 176.094 -0.822 0.000 1.040 2168 V CA -1.577 60.443 62.300 -0.468 0.000 0.866 2168 V CB 0.902 32.572 31.823 -0.256 0.000 1.019 2168 V HN 0.365 nan 8.190 nan 0.000 0.468 2169 P HA 0.372 nan 4.420 nan 0.000 0.282 2169 P C 0.068 177.244 177.300 -0.207 0.000 1.249 2169 P CA -0.278 62.634 63.100 -0.313 0.000 0.806 2169 P CB 2.447 34.265 31.700 0.197 0.000 0.984 2170 L N 1.470 122.627 121.223 -0.111 0.000 2.675 2170 L HA 0.317 4.657 4.340 -0.000 0.000 0.178 2170 L C 1.385 178.392 176.870 0.228 0.000 1.135 2170 L CA 0.119 54.917 54.840 -0.070 0.000 0.855 2170 L CB -0.835 41.064 42.059 -0.268 0.000 1.235 2170 L HN 0.325 nan 8.230 nan 0.000 0.499 2171 A N -0.933 122.000 122.820 0.188 0.000 2.407 2171 A HA -0.010 4.310 4.320 -0.000 0.000 0.248 2171 A C 0.544 178.319 177.584 0.318 0.000 1.082 2171 A CA -0.002 52.172 52.037 0.228 0.000 0.785 2171 A CB -0.012 19.079 19.000 0.153 0.000 1.020 2171 A HN 0.360 nan 8.150 nan 0.000 0.489 2172 Y N 2.222 122.544 120.300 0.036 0.000 2.181 2172 Y HA -0.030 4.520 4.550 0.000 0.000 0.288 2172 Y C 1.229 177.114 175.900 -0.024 0.000 1.146 2172 Y CA 1.738 59.687 58.100 -0.252 0.000 1.164 2172 Y CB 0.015 38.333 38.460 -0.238 0.000 0.982 2172 Y HN 0.874 nan 8.280 nan 0.000 0.515 2173 S N -2.465 113.232 115.700 -0.004 0.000 2.727 2173 S HA 0.265 4.735 4.470 -0.000 0.000 0.278 2173 S C 0.309 174.911 174.600 0.004 0.000 1.186 2173 S CA -0.647 57.505 58.200 -0.081 0.000 0.836 2173 S CB 1.099 64.225 63.200 -0.123 0.000 1.186 2173 S HN 0.077 nan 8.310 nan 0.000 0.499 2174 E N 1.110 121.283 120.200 -0.045 0.000 2.274 2174 E HA -0.005 4.345 4.350 -0.000 0.000 0.194 2174 E C 1.681 178.274 176.600 -0.012 0.000 0.996 2174 E CA 1.822 58.200 56.400 -0.037 0.000 0.840 2174 E CB -0.323 29.326 29.700 -0.085 0.000 0.772 2174 E HN 0.849 nan 8.360 nan 0.000 0.491 2175 T N -2.473 112.082 114.554 0.002 0.000 2.985 2175 T HA 0.058 4.408 4.350 -0.000 0.000 0.254 2175 T C 0.422 175.143 174.700 0.034 0.000 1.021 2175 T CA -0.313 61.795 62.100 0.013 0.000 0.957 2175 T CB 0.433 69.306 68.868 0.008 0.000 1.047 2175 T HN -0.209 nan 8.240 nan 0.000 0.511 2176 D N 1.224 121.667 120.400 0.071 0.000 2.461 2176 D HA 0.307 4.947 4.640 -0.000 0.000 0.240 2176 D C 0.675 177.022 176.300 0.080 0.000 1.094 2176 D CA -0.680 53.372 54.000 0.087 0.000 0.868 2176 D CB 0.943 41.858 40.800 0.192 0.000 1.062 2176 D HN 0.213 nan 8.370 nan 0.000 0.530 2177 L N 2.439 123.679 121.223 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 0.215 55.072 54.840 0.029 0.000 0.892 2177 L CB -0.406 41.660 42.059 0.012 0.000 1.039 2177 L HN 0.257 nan 8.230 nan 0.000 0.442 2178 T N 0.783 115.303 114.554 -0.057 0.000 2.871 2178 T HA 0.227 4.577 4.350 -0.000 0.000 0.296 2178 T C 1.247 175.928 174.700 -0.032 0.000 0.998 2178 T CA 1.083 63.068 62.100 -0.193 0.000 1.162 2178 T CB 0.871 69.397 68.868 -0.570 0.000 0.947 2178 T HN 0.638 nan 8.240 nan 0.000 0.536 2179 G N 2.125 110.938 108.800 0.020 0.000 2.234 2179 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.235 2179 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.235 2179 G C 0.389 175.401 174.900 0.187 0.000 0.997 2179 G CA -0.020 45.200 45.100 0.200 0.000 0.623 2179 G HN 1.160 nan 8.290 nan 0.000 0.514 2180 A N -0.407 122.478 122.820 0.109 0.000 2.429 2180 A HA 0.613 4.933 4.320 -0.000 0.000 0.242 2180 A C 0.393 178.019 177.584 0.070 0.000 1.088 2180 A CA 0.912 52.988 52.037 0.065 0.000 0.784 2180 A CB 0.787 19.813 19.000 0.044 0.000 1.038 2180 A HN 1.229 nan 8.150 nan 0.000 0.501 2181 V N 1.904 121.838 119.914 0.032 0.000 2.487 2181 V HA 0.300 4.420 4.120 -0.000 0.000 0.298 2181 V C -0.552 175.569 176.094 0.046 0.000 1.028 2181 V CA -0.515 61.821 62.300 0.060 0.000 0.860 2181 V CB 1.424 33.280 31.823 0.055 0.000 0.991 2181 V HN 0.781 nan 8.190 nan 0.000 0.427 2182 L N 5.451 126.707 121.223 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 0.045 0.000 1.079 2182 L CA 0.179 55.039 54.840 0.034 0.000 0.830 2182 L CB 0.682 42.763 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 0.028 0.000 2.937 2183 A HA 0.417 4.737 4.320 -0.000 0.000 0.338 2183 A C 0.340 177.932 177.584 0.012 0.000 1.273 2183 A CA -0.436 51.618 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 0.490 119.209 118.700 0.032 0.000 2.193 2184 N HA 0.007 4.747 4.740 -0.000 0.000 0.210 2184 N C -0.341 175.194 175.510 0.043 0.000 1.215 2184 N CA 0.136 53.211 53.050 0.042 0.000 0.901 2184 N CB -0.007 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 3.209 123.146 119.914 0.038 0.000 2.400 2185 V HA 0.185 4.305 4.120 -0.000 0.000 0.263 2185 V C -2.142 173.965 176.094 0.022 0.000 1.026 2185 V CA -0.815 61.504 62.300 0.032 0.000 1.077 2185 V CB -0.321 31.521 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 0.587 177.892 177.300 0.009 0.000 1.220 2186 P CA 1.188 64.296 63.100 0.013 0.000 0.768 2186 P CB 0.715 32.423 31.700 0.014 0.000 0.848 2187 Q N -0.215 119.587 119.800 0.004 0.000 2.376 2187 Q HA -0.194 4.146 4.340 -0.000 0.000 0.187 2187 Q C 0.557 176.554 176.000 -0.004 0.000 0.603 2187 Q CA 1.493 57.295 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 0.779 nan 8.270 nan 0.000 0.930 2188 S N 0.971 116.671 115.700 -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 0.058 58.256 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 1.516 121.905 120.400 -0.018 0.000 2.154 2189 K HA 0.514 4.834 4.320 -0.000 0.000 0.264 2189 K C -0.172 176.405 176.600 -0.039 0.000 1.008 2189 K CA -0.602 55.673 56.287 -0.020 0.000 0.937 2189 K CB 0.709 33.192 32.500 -0.027 0.000 1.002 2189 K HN 0.591 nan 8.250 nan 0.000 0.469 2190 Q N 0.767 120.551 119.800 -0.028 0.000 2.237 2190 Q HA 0.310 4.650 4.340 -0.000 0.000 0.219 2190 Q C -0.644 175.277 176.000 -0.131 0.000 0.999 2190 Q CA -0.833 54.915 55.803 -0.092 0.000 0.959 2190 Q CB 1.102 29.868 28.738 0.047 0.000 1.173 2190 Q HN 0.569 nan 8.270 nan 0.000 0.527 2191 R N 0.571 120.919 120.500 -0.252 0.000 2.522 2191 R HA 0.421 4.761 4.340 -0.000 0.000 0.283 2191 R C -2.195 173.975 176.300 -0.216 0.000 1.074 2191 R CA -0.645 55.352 56.100 -0.172 0.000 0.925 2191 R CB 1.001 31.234 30.300 -0.112 0.000 1.205 2191 R HN 0.503 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 4.827 4.340 -0.000 0.000 0.277 2192 L C -1.000 175.758 176.870 -0.186 0.000 1.008 2192 L CA -0.197 54.506 54.840 -0.229 0.000 0.846 2192 L CB 1.224 43.004 42.059 -0.467 0.000 1.220 2192 L HN 0.591 nan 8.230 nan 0.000 0.423 2193 K N 5.434 125.749 120.400 -0.141 0.000 2.183 2193 K HA 0.622 4.942 4.320 -0.000 0.000 0.274 2193 K C -1.522 174.943 176.600 -0.225 0.000 1.009 2193 K CA -0.500 55.708 56.287 -0.132 0.000 0.888 2193 K CB 0.743 33.210 32.500 -0.056 0.000 1.078 2193 K HN 0.690 nan 8.250 nan 0.000 0.459 2194 L N 4.268 125.334 121.223 -0.262 0.000 2.349 2194 L HA 0.371 4.711 4.340 -0.000 0.000 0.278 2194 L C -0.584 176.049 176.870 -0.394 0.000 0.996 2194 L CA -0.603 53.950 54.840 -0.479 0.000 0.825 2194 L CB 1.920 43.536 42.059 -0.737 0.000 1.243 2194 L HN 0.618 nan 8.230 nan 0.000 0.412 2195 E N 3.682 123.640 120.200 -0.403 0.000 2.073 2195 E HA 0.371 4.721 4.350 -0.000 0.000 0.269 2195 E C -1.027 175.416 176.600 -0.261 0.000 0.917 2195 E CA -0.445 55.831 56.400 -0.207 0.000 0.757 2195 E CB 1.288 30.907 29.700 -0.135 0.000 1.111 2195 E HN 0.264 nan 8.360 nan 0.000 0.410 2196 F N 1.299 121.253 119.950 0.006 0.000 2.375 2196 F HA 0.362 4.889 4.527 0.000 0.000 0.313 2196 F C 1.176 177.001 175.800 0.042 0.000 1.176 2196 F CA -0.639 57.387 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 1.531 124.505 122.820 0.258 0.000 2.386 2197 A HA 0.447 4.767 4.320 -0.000 0.000 0.246 2197 A C -0.313 177.336 177.584 0.109 0.000 1.089 2197 A CA -0.150 51.991 52.037 0.173 0.000 0.790 2197 A CB -0.079 19.059 19.000 0.230 0.000 1.042 2197 A HN 0.894 nan 8.150 nan 0.000 0.497 2198 N N -1.062 117.746 118.700 0.180 0.000 3.316 2198 N HA 0.217 4.957 4.740 -0.000 0.000 0.300 2198 N C -0.202 175.537 175.510 0.381 0.000 1.567 2198 N CA -0.733 52.449 53.050 0.220 0.000 0.821 2198 N CB 0.260 38.855 38.487 0.181 0.000 1.748 2198 N HN 0.295 nan 8.380 nan 0.000 0.603 2199 N N -0.534 118.414 118.700 0.414 0.000 2.520 2199 N HA -0.030 4.710 4.740 -0.000 0.000 0.185 2199 N C -0.059 175.633 175.510 0.304 0.000 1.068 2199 N CA 0.668 53.987 53.050 0.449 0.000 0.911 2199 N CB -0.524 38.216 38.487 0.421 0.000 0.961 2199 N HN 0.564 nan 8.380 nan 0.000 0.446 2200 N N -0.862 117.958 118.700 0.200 0.000 2.356 2200 N HA -0.021 4.719 4.740 -0.000 0.000 0.178 2200 N C 1.464 177.035 175.510 0.102 0.000 1.075 2200 N CA 0.737 53.876 53.050 0.147 0.000 0.889 2200 N CB 0.416 38.975 38.487 0.121 0.000 0.999 2200 N HN 0.250 nan 8.380 nan 0.000 0.464 2201 T N -3.109 111.488 114.554 0.072 0.000 3.000 2201 T HA 0.316 4.666 4.350 -0.000 0.000 0.248 2201 T C 1.831 176.500 174.700 -0.051 0.000 1.034 2201 T CA 0.113 62.237 62.100 0.041 0.000 1.060 2201 T CB 0.095 69.007 68.868 0.073 0.000 0.983 2201 T HN 0.035 nan 8.240 nan 0.000 0.482 2202 A N 0.768 123.448 122.820 -0.234 0.000 2.119 2202 A HA 0.432 4.752 4.320 -0.000 0.000 0.216 2202 A C 0.310 177.470 177.584 -0.707 0.000 1.152 2202 A CA 0.109 51.801 52.037 -0.575 0.000 0.708 2202 A CB -0.609 17.831 19.000 -0.934 0.000 0.805 2202 A HN 0.601 nan 8.150 nan 0.000 0.460 2203 F N -0.501 119.508 119.950 0.099 0.000 2.460 2203 F HA 0.629 5.156 4.527 0.000 0.000 0.341 2203 F C 0.269 176.103 175.800 0.056 0.000 1.130 2203 F CA -0.794 57.248 58.000 0.069 0.000 0.962 2203 F CB 1.655 40.675 39.000 0.033 0.000 1.171 2203 F HN 0.065 nan 8.300 nan 0.000 0.436 2204 A N 2.368 125.306 122.820 0.196 0.000 2.304 2204 A HA 0.849 5.169 4.320 -0.000 0.000 0.323 2204 A C -0.102 177.539 177.584 0.096 0.000 1.195 2204 A CA -0.557 51.548 52.037 0.114 0.000 0.826 2204 A CB 0.660 19.696 19.000 0.059 0.000 1.184 2204 A HN 0.896 nan 8.150 nan 0.000 0.496 2205 A N 1.758 124.622 122.820 0.073 0.000 2.346 2205 A HA 0.529 4.849 4.320 -0.000 0.000 0.252 2205 A C 0.429 178.030 177.584 0.028 0.000 1.089 2205 A CA -0.305 51.759 52.037 0.045 0.000 0.797 2205 A CB -0.025 18.999 19.000 0.040 0.000 1.047 2205 A HN 1.175 nan 8.150 nan 0.000 0.494 2206 V N 1.046 120.967 119.914 0.011 0.000 2.694 2206 V HA 0.369 4.489 4.120 -0.000 0.000 0.306 2206 V C 1.714 177.813 176.094 0.007 0.000 1.054 2206 V CA 1.819 64.122 62.300 0.005 0.000 1.161 2206 V CB 0.048 31.867 31.823 -0.007 0.000 0.916 2206 V HN 1.964 nan 8.190 nan 0.000 0.490 2207 G N 3.211 112.015 108.800 0.006 0.000 2.253 2207 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.251 2207 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.251 2207 G C 0.448 175.352 174.900 0.007 0.000 0.998 2207 G CA 0.330 45.431 45.100 0.002 0.000 0.621 2207 G HN 1.516 nan 8.290 nan 0.000 0.524 2208 A N -0.145 122.685 122.820 0.017 0.000 2.287 2208 A HA 0.641 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 1.058 119.777 118.700 0.033 0.000 2.452 2209 N HA 0.143 4.883 4.740 -0.000 0.000 0.266 2209 N C -1.685 173.847 175.510 0.037 0.000 1.175 2209 N CA -1.454 51.629 53.050 0.056 0.000 0.945 2209 N CB 1.010 39.532 38.487 0.058 0.000 1.063 2209 N HN 0.342 nan 8.380 nan 0.000 0.472 2210 P HA -0.027 nan 4.420 nan 0.000 0.255 2210 P C 1.579 178.711 177.300 -0.281 0.000 1.248 2210 P CA -0.097 62.935 63.100 -0.113 0.000 0.807 2210 P CB 0.491 32.104 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 -0.210 4.130 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 -0.460 0.000 0.791 2211 L CB -0.915 41.094 42.059 -0.085 0.000 0.898 2211 L HN -0.088 nan 8.230 nan 0.000 0.440 2212 E N -0.141 120.024 120.200 -0.059 0.000 2.474 2212 E HA 0.275 4.625 4.350 -0.000 0.000 0.195 2212 E C 0.732 177.361 176.600 0.047 0.000 1.039 2212 E CA 0.577 57.028 56.400 0.084 0.000 0.881 2212 E CB -0.093 29.687 29.700 0.134 0.000 0.970 2212 E HN 0.578 nan 8.360 nan 0.000 0.486 2213 A N 0.872 123.672 122.820 -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 -0.432 51.582 52.037 -0.039 0.000 0.828 2213 A CB 0.506 19.490 19.000 -0.027 0.000 1.091 2213 A HN 0.045 nan 8.150 nan 0.000 0.493 2214 I N -1.527 119.007 120.570 -0.060 0.000 3.039 2214 I HA 0.115 4.285 4.170 -0.000 0.000 0.270 2214 I C -0.350 175.586 176.117 -0.301 0.000 1.150 2214 I CA 0.670 61.900 61.300 -0.118 0.000 1.448 2214 I CB -0.011 37.980 38.000 -0.014 0.000 1.197 2214 I HN 0.586 nan 8.210 nan 0.000 0.450 2215 Y N 0.401 120.746 120.300 0.075 0.000 2.499 2215 Y HA 0.556 5.106 4.550 0.000 0.000 0.347 2215 Y C -0.251 175.715 175.900 0.110 0.000 0.987 2215 Y CA -0.721 57.449 58.100 0.116 0.000 1.044 2215 Y CB 1.790 40.368 38.460 0.196 0.000 1.245 2215 Y HN -0.058 nan 8.280 nan 0.000 0.461 2216 Q N 1.522 121.446 119.800 0.207 0.000 2.359 2216 Q HA 0.762 5.102 4.340 -0.000 0.000 0.274 2216 Q C -1.004 175.051 176.000 0.092 0.000 1.074 2216 Q CA -0.631 55.245 55.803 0.122 0.000 0.810 2216 Q CB 2.617 31.383 28.738 0.047 0.000 1.342 2216 Q HN 0.963 nan 8.270 nan 0.000 0.427 2217 G N 0.433 109.263 108.800 0.050 0.000 2.320 2217 G HA2 0.372 4.332 3.960 -0.000 0.000 0.297 2217 G HA3 0.372 4.332 3.960 -0.000 0.000 0.297 2217 G C -0.372 174.497 174.900 -0.052 0.000 1.344 2217 G CA -0.133 44.967 45.100 0.001 0.000 0.851 2217 G HN 0.696 nan 8.290 nan 0.000 0.567 2218 A N -0.883 121.876 122.820 -0.101 0.000 2.172 2218 A HA 0.366 4.686 4.320 -0.000 0.000 0.216 2218 A C 2.158 179.521 177.584 -0.367 0.000 1.154 2218 A CA 2.540 54.471 52.037 -0.177 0.000 0.701 2218 A CB -0.373 18.526 19.000 -0.167 0.000 0.789 2218 A HN 1.936 nan 8.150 nan 0.000 0.465 2219 G N -1.716 106.873 108.800 -0.351 0.000 3.126 2219 G HA2 0.339 4.299 3.960 -0.000 0.000 0.224 2219 G HA3 0.339 4.299 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 0.836 45.669 45.100 -0.445 0.000 0.759 2219 G HN 0.581 nan 8.290 nan 0.000 0.550 2220 A N 1.510 124.267 122.820 -0.105 0.000 1.927 2220 A HA 0.063 4.383 4.320 -0.000 0.000 0.220 2220 A C 2.752 180.318 177.584 -0.029 0.000 1.185 2220 A CA 2.332 54.347 52.037 -0.037 0.000 0.639 2220 A CB -0.733 18.313 19.000 0.076 0.000 0.820 2220 A HN 0.827 nan 8.150 nan 0.000 0.451 2221 A N -0.749 122.086 122.820 0.024 0.000 2.024 2221 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 2221 A C 1.356 178.949 177.584 0.015 0.000 1.164 2221 A CA 1.894 53.962 52.037 0.051 0.000 0.643 2221 A CB -0.395 18.650 19.000 0.074 0.000 0.806 2221 A HN 0.450 nan 8.150 nan 0.000 0.451 2222 D N -1.465 118.934 120.400 -0.001 0.000 2.363 2222 D HA 0.187 4.827 4.640 -0.000 0.000 0.214 2222 D C -0.159 176.023 176.300 -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 0.010 0.000 0.948 2222 D HN 0.311 nan 8.370 nan 0.000 0.507 2223 C N 1.769 120.829 119.300 -0.401 0.000 2.539 2223 C HA 0.556 5.016 4.460 -0.000 0.000 0.392 2223 C C 0.573 175.096 174.990 -0.778 0.000 1.269 2223 C CA -0.544 57.987 59.018 -0.812 0.000 2.250 2223 C CB 0.138 26.937 27.740 -1.568 0.000 2.584 2223 C HN 0.384 nan 8.230 nan 0.000 0.589 2224 E N 0.989 120.842 120.200 -0.578 0.000 2.390 2224 E HA 0.484 4.834 4.350 -0.000 0.000 0.280 2224 E C -1.701 174.884 176.600 -0.025 0.000 0.992 2224 E CA -0.663 55.663 56.400 -0.123 0.000 0.790 2224 E CB 0.684 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 1.729 121.812 119.950 0.223 0.000 2.412 2225 F HA 0.175 4.702 4.527 0.000 0.000 0.348 2225 F C 1.616 177.443 175.800 0.044 0.000 1.102 2225 F CA -0.178 57.909 58.000 0.146 0.000 1.196 2225 F CB 1.191 40.262 39.000 0.117 0.000 1.144 2225 F HN 0.541 nan 8.300 nan 0.000 0.541 2226 E N 1.718 122.035 120.200 0.196 0.000 2.122 2226 E HA -0.022 4.328 4.350 -0.000 0.000 0.190 2226 E C 0.010 176.646 176.600 0.059 0.000 0.977 2226 E CA 0.760 57.214 56.400 0.090 0.000 0.820 2226 E CB 0.083 29.808 29.700 0.042 0.000 0.770 2226 E HN 0.823 nan 8.360 nan 0.000 0.462 2227 E N -0.967 119.261 120.200 0.046 0.000 2.403 2227 E HA 0.511 4.861 4.350 -0.000 0.000 0.280 2227 E C -1.078 175.362 176.600 -0.266 0.000 1.101 2227 E CA -0.538 55.776 56.400 -0.143 0.000 0.856 2227 E CB 0.881 30.499 29.700 -0.137 0.000 1.303 2227 E HN -0.130 nan 8.360 nan 0.000 0.441 2228 I N 0.892 121.052 120.570 -0.685 0.000 2.686 2228 I HA 0.497 4.667 4.170 -0.000 0.000 0.295 2228 I C -0.992 174.654 176.117 -0.786 0.000 1.114 2228 I CA -0.846 59.979 61.300 -0.791 0.000 1.038 2228 I CB 2.389 39.635 38.000 -1.258 0.000 1.238 2228 I HN 0.531 nan 8.210 nan 0.000 0.420 2229 S N 3.818 119.270 115.700 -0.413 0.000 2.536 2229 S HA 0.722 5.192 4.470 -0.000 0.000 0.287 2229 S C -1.478 173.039 174.600 -0.138 0.000 1.101 2229 S CA -0.602 57.425 58.200 -0.290 0.000 0.950 2229 S CB 1.966 65.046 63.200 -0.200 0.000 1.056 2229 S HN 0.524 nan 8.310 nan 0.000 0.481 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 -0.874 57.189 58.100 -0.063 0.000 1.032 2230 Y CB 1.182 39.660 38.460 0.030 0.000 1.284 2230 Y HN 0.426 nan 8.280 nan 0.000 0.466 2231 T N 2.939 117.606 114.554 0.188 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 0.156 0.000 1.000 2231 T CA -0.649 61.479 62.100 0.047 0.000 0.989 2231 T CB 1.416 70.252 68.868 -0.054 0.000 1.005 2231 T HN 0.623 nan 8.240 nan 0.000 0.442 2232 V N 4.284 124.270 119.914 0.121 0.000 2.370 2232 V HA 0.451 4.571 4.120 -0.000 0.000 0.279 2232 V C -1.053 175.082 176.094 0.068 0.000 1.029 2232 V CA -0.724 61.682 62.300 0.177 0.000 0.870 2232 V CB 0.582 32.512 31.823 0.179 0.000 0.984 2232 V HN 0.809 nan 8.190 nan 0.000 0.451 2233 Y N 3.157 123.638 120.300 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 0.298 0.000 1.014 2233 Y CA -0.302 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 2.244 122.283 119.800 0.397 0.000 2.290 2234 Q HA 0.444 4.784 4.340 -0.000 0.000 0.259 2234 Q C -0.926 175.202 176.000 0.214 0.000 0.941 2234 Q CA -0.576 55.341 55.803 0.190 0.000 0.912 2234 Q CB 1.362 30.241 28.738 0.235 0.000 1.244 2234 Q HN 0.656 nan 8.270 nan 0.000 0.441 2235 S N 4.210 119.944 115.700 0.056 0.000 2.437 2235 S HA 0.647 5.117 4.470 -0.000 0.000 0.305 2235 S C -1.377 173.300 174.600 0.128 0.000 1.109 2235 S CA -0.348 57.931 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 1.965 122.256 120.300 -0.015 0.000 2.705 2236 Y HA 0.704 5.254 4.550 -0.000 0.000 0.332 2236 Y C -1.879 174.013 175.900 -0.014 0.000 1.221 2236 Y CA -1.563 56.517 58.100 -0.034 0.000 1.059 2236 Y CB 0.861 39.295 38.460 -0.043 0.000 1.298 2236 Y HN 0.413 nan 8.280 nan 0.000 0.459 2237 L N 2.423 123.742 121.223 0.160 0.000 2.313 2237 L HA 0.468 4.808 4.340 -0.000 0.000 0.283 2237 L C -0.913 176.049 176.870 0.153 0.000 1.013 2237 L CA -0.542 54.329 54.840 0.051 0.000 0.816 2237 L CB 1.391 43.462 42.059 0.020 0.000 1.236 2237 L HN 0.678 nan 8.230 nan 0.000 0.419 2238 D N 1.627 122.079 120.400 0.087 0.000 2.494 2238 D HA 0.235 4.875 4.640 -0.000 0.000 0.259 2238 D C -0.266 176.064 176.300 0.050 0.000 1.109 2238 D CA 0.041 54.122 54.000 0.135 0.000 1.040 2238 D CB 1.096 41.997 40.800 0.170 0.000 1.175 2238 D HN 0.311 nan 8.370 nan 0.000 0.584 2239 Q N -0.053 119.781 119.800 0.057 0.000 2.452 2239 Q HA -0.179 4.161 4.340 -0.000 0.000 0.318 2239 Q C -0.542 175.466 176.000 0.014 0.000 1.386 2239 Q CA 0.399 56.229 55.803 0.045 0.000 0.872 2239 Q CB -1.938 26.822 28.738 0.038 0.000 1.151 2239 Q HN 0.453 nan 8.270 nan 0.000 0.417 2240 L N 1.997 123.191 121.223 -0.049 0.000 2.490 2240 L HA 0.125 4.465 4.340 -0.000 0.000 0.274 2240 L C -1.050 175.808 176.870 -0.021 0.000 1.201 2240 L CA -1.174 53.575 54.840 -0.152 0.000 0.869 2240 L CB -0.185 41.569 42.059 -0.508 0.000 1.123 2240 L HN 0.027 nan 8.230 nan 0.000 0.484 2241 P HA 0.131 nan 4.420 nan 0.000 0.271 2241 P C -0.834 176.582 177.300 0.194 0.000 1.216 2241 P CA -0.171 62.980 63.100 0.085 0.000 0.771 2241 P CB 1.340 33.066 31.700 0.044 0.000 0.864 2242 V N 2.489 122.516 119.914 0.189 0.000 2.667 2242 V HA 0.768 4.888 4.120 -0.000 0.000 0.308 2242 V C 0.903 177.051 176.094 0.091 0.000 1.048 2242 V CA -0.228 62.181 62.300 0.182 0.000 0.928 2242 V CB 1.683 33.573 31.823 0.113 0.000 1.004 2242 V HN 0.890 nan 8.190 nan 0.000 0.444 2243 G N 1.237 110.079 108.800 0.070 0.000 3.251 2243 G HA2 0.552 4.512 3.960 -0.000 0.000 0.248 2243 G HA3 0.552 4.512 3.960 -0.000 0.000 0.248 2243 G C 0.573 175.486 174.900 0.021 0.000 1.320 2243 G CA 0.458 45.583 45.100 0.042 0.000 0.982 2243 G HN 0.730 nan 8.290 nan 0.000 0.575 2244 Q N -1.864 117.946 119.800 0.016 0.000 2.084 2244 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 2244 Q C 2.128 178.130 176.000 0.003 0.000 0.978 2244 Q CA 2.417 58.224 55.803 0.007 0.000 0.844 2244 Q CB -1.607 27.135 28.738 0.008 0.000 0.898 2244 Q HN 1.295 nan 8.270 nan 0.000 0.426 2245 N N -0.396 118.310 118.700 0.010 0.000 2.313 2245 N HA 0.479 5.219 4.740 -0.000 0.000 0.207 2245 N C 1.291 176.804 175.510 0.004 0.000 1.141 2245 N CA 0.973 54.028 53.050 0.007 0.000 0.830 2245 N CB -0.191 38.305 38.487 0.015 0.000 1.008 2245 N HN 1.447 nan 8.380 nan 0.000 0.481 2246 G N -0.566 108.230 108.800 -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 0.613 120.921 120.300 0.013 0.000 2.729 2247 Y HA 0.239 4.789 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 0.132 38.602 38.460 0.018 0.000 1.233 2247 Y HN 0.314 nan 8.280 nan 0.000 0.539 2248 I N 6.691 127.375 120.570 0.189 0.000 2.379 2248 I HA 0.152 4.322 4.170 -0.000 0.000 0.290 2248 I C -0.552 175.595 176.117 0.050 0.000 1.063 2248 I CA 0.201 61.555 61.300 0.090 0.000 1.351 2248 I CB 0.203 38.240 38.000 0.063 0.000 1.410 2248 I HN 0.379 nan 8.210 nan 0.000 0.505 2249 L N 8.559 129.807 121.223 0.042 0.000 2.455 2249 L HA 0.460 4.800 4.340 -0.000 0.000 0.264 2249 L C -2.519 174.358 176.870 0.011 0.000 0.968 2249 L CA -1.822 53.027 54.840 0.016 0.000 0.827 2249 L CB 2.527 44.600 42.059 0.024 0.000 1.317 2249 L HN 0.354 nan 8.230 nan 0.000 0.407 2250 P HA 0.161 nan 4.420 nan 0.000 0.273 2250 P C 0.639 177.934 177.300 -0.008 0.000 1.428 2250 P CA -0.204 62.891 63.100 -0.009 0.000 0.995 2250 P CB 0.701 32.389 31.700 -0.019 0.000 1.286 2251 L N 2.889 124.111 121.223 -0.002 0.000 2.131 2251 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 2251 L C 2.381 179.245 176.870 -0.010 0.000 1.092 2251 L CA 1.262 56.104 54.840 0.002 0.000 0.759 2251 L CB -0.566 41.498 42.059 0.008 0.000 0.903 2251 L HN 0.282 nan 8.230 nan 0.000 0.435 2252 I N -0.351 120.203 120.570 -0.028 0.000 2.286 2252 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 2252 I C 2.060 178.133 176.117 -0.072 0.000 1.104 2252 I CA 0.967 62.237 61.300 -0.049 0.000 1.397 2252 I CB -0.372 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 1.288 121.644 120.400 -0.074 0.000 2.092 2253 D HA -0.159 4.481 4.640 -0.000 0.000 0.193 2253 D C 2.178 178.455 176.300 -0.039 0.000 0.994 2253 D CA 1.423 55.372 54.000 -0.085 0.000 0.828 2253 D CB -0.333 40.431 40.800 -0.058 0.000 0.963 2253 D HN 0.266 nan 8.370 nan 0.000 0.450 2254 L N 0.319 121.538 121.223 -0.008 0.000 2.551 2254 L HA -0.000 4.340 4.340 -0.000 0.000 0.228 2254 L C 1.576 178.470 176.870 0.041 0.000 1.153 2254 L CA 0.672 55.528 54.840 0.027 0.000 0.851 2254 L CB -0.198 41.878 42.059 0.028 0.000 0.959 2254 L HN 0.034 nan 8.230 nan 0.000 0.451 2255 S N -3.090 112.619 115.700 0.014 0.000 2.593 2255 S HA 0.168 4.638 4.470 -0.000 0.000 0.236 2255 S C 0.507 175.107 174.600 0.001 0.000 0.991 2255 S CA -0.547 57.664 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 2.823 117.365 114.554 -0.019 0.000 2.855 2256 T HA 0.570 4.920 4.350 -0.000 0.000 0.281 2256 T C -0.569 174.127 174.700 -0.006 0.000 1.007 2256 T CA -0.601 61.470 62.100 -0.049 0.000 1.009 2256 T CB 1.344 70.109 68.868 -0.171 0.000 0.983 2256 T HN 0.260 nan 8.240 nan 0.000 0.455 2257 L N 3.246 124.463 121.223 -0.009 0.000 2.289 2257 L HA 0.452 4.792 4.340 -0.000 0.000 0.285 2257 L C -0.926 176.026 176.870 0.136 0.000 1.049 2257 L CA -1.044 53.767 54.840 -0.049 0.000 0.804 2257 L CB 0.626 42.555 42.059 -0.218 0.000 1.195 2257 L HN 0.624 nan 8.230 nan 0.000 0.428 2258 Y N 4.520 124.866 120.300 0.076 0.000 2.402 2258 Y HA 0.471 5.021 4.550 -0.000 0.000 0.332 2258 Y C -0.848 174.997 175.900 -0.091 0.000 0.960 2258 Y CA -1.238 56.964 58.100 0.170 0.000 1.228 2258 Y CB 0.581 39.271 38.460 0.383 0.000 1.120 2258 Y HN 0.523 nan 8.280 nan 0.000 0.491 2259 N N 5.897 124.167 118.700 -0.716 0.000 2.265 2259 N HA 0.568 5.308 4.740 -0.000 0.000 0.300 2259 N C -1.528 173.470 175.510 -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 -0.861 0.000 1.434 2259 N HN 0.556 nan 8.380 nan 0.000 0.481 2260 L N 0.586 121.512 121.223 -0.495 0.000 2.346 2260 L HA 0.590 4.930 4.340 -0.000 0.000 0.276 2260 L C -0.007 176.856 176.870 -0.011 0.000 1.006 2260 L CA -0.549 54.177 54.840 -0.191 0.000 0.817 2260 L CB 1.702 43.615 42.059 -0.242 0.000 1.272 2260 L HN 0.387 nan 8.230 nan 0.000 0.421 2261 E N 2.456 122.791 120.200 0.225 0.000 2.408 2261 E HA 0.381 4.731 4.350 -0.000 0.000 0.275 2261 E C -1.480 175.219 176.600 0.164 0.000 0.935 2261 E CA -0.850 55.678 56.400 0.214 0.000 0.775 2261 E CB 3.145 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 -0.046 118.683 118.700 0.049 0.000 2.405 2262 N HA 0.535 5.275 4.740 -0.000 0.000 0.285 2262 N C -1.139 174.408 175.510 0.061 0.000 1.262 2262 N CA -0.578 52.429 53.050 -0.072 0.000 0.773 2262 N CB 2.010 40.338 38.487 -0.265 0.000 1.490 2262 N HN 0.493 nan 8.380 nan 0.000 0.486 2263 S N -1.386 114.358 115.700 0.073 0.000 2.656 2263 S HA 0.887 5.357 4.470 -0.000 0.000 0.273 2263 S C -1.555 173.120 174.600 0.124 0.000 1.168 2263 S CA -0.881 57.391 58.200 0.120 0.000 0.817 2263 S CB 1.256 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 1.001 123.898 122.820 0.128 0.000 2.414 2264 A HA 0.824 5.144 4.320 -0.000 0.000 0.306 2264 A C -1.339 176.328 177.584 0.138 0.000 1.054 2264 A CA -0.740 51.379 52.037 0.138 0.000 0.724 2264 A CB 1.572 20.654 19.000 0.135 0.000 1.267 2264 A HN 0.775 nan 8.150 nan 0.000 0.418 2265 Q N 0.622 120.525 119.800 0.170 0.000 2.359 2265 Q HA 0.788 5.128 4.340 -0.000 0.000 0.274 2265 Q C -0.669 175.476 176.000 0.241 0.000 1.074 2265 Q CA -0.590 55.357 55.803 0.240 0.000 0.810 2265 Q CB 2.033 30.971 28.738 0.333 0.000 1.342 2265 Q HN 1.197 nan 8.270 nan 0.000 0.427 2266 A N -0.340 122.620 122.820 0.234 0.000 2.486 2266 A HA 0.932 5.252 4.320 -0.000 0.000 0.289 2266 A C 0.347 178.027 177.584 0.160 0.000 1.176 2266 A CA -0.285 51.797 52.037 0.074 0.000 0.757 2266 A CB 1.430 20.456 19.000 0.043 0.000 1.337 2266 A HN 1.407 nan 8.150 nan 0.000 0.423 2267 G N -1.072 107.727 108.800 -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 -0.425 174.486 174.900 0.018 0.000 1.017 2267 G CA -0.032 45.128 45.100 0.100 0.000 0.686 2267 G HN 0.753 nan 8.290 nan 0.000 0.503 2268 L N 1.481 122.513 121.223 -0.319 0.000 2.395 2268 L HA 0.779 5.119 4.340 -0.000 0.000 0.269 2268 L C 0.975 177.769 176.870 -0.126 0.000 1.133 2268 L CA 0.512 55.135 54.840 -0.361 0.000 0.812 2268 L CB 1.671 43.373 42.059 -0.595 0.000 1.125 2268 L HN 0.459 nan 8.230 nan 0.000 0.452 2269 T N -0.106 114.403 114.554 -0.075 0.000 2.952 2269 T HA 0.544 4.894 4.350 -0.000 0.000 0.305 2269 T C -2.858 171.813 174.700 -0.049 0.000 1.064 2269 T CA -2.229 59.847 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 0.290 177.562 177.300 -0.047 0.000 1.173 2270 P CA 0.561 63.636 63.100 -0.042 0.000 0.760 2270 P CB 0.075 31.759 31.700 -0.025 0.000 0.783 2271 N N -0.986 117.672 118.700 -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 0.752 53.761 53.050 -0.069 0.000 0.831 2271 N CB -1.638 36.831 38.487 -0.029 0.000 1.142 2271 N HN 0.193 nan 8.380 nan 0.000 0.573 2272 V N 1.154 121.029 119.914 -0.065 0.000 2.459 2272 V HA 0.226 4.346 4.120 -0.000 0.000 0.295 2272 V C 0.125 176.189 176.094 -0.050 0.000 1.029 2272 V CA -0.812 61.467 62.300 -0.035 0.000 0.874 2272 V CB 2.081 33.901 31.823 -0.005 0.000 0.985 2272 V HN -0.047 nan 8.190 nan 0.000 0.438 2273 D N 3.397 123.777 120.400 -0.034 0.000 2.434 2273 D HA 0.109 4.749 4.640 -0.000 0.000 0.252 2273 D C -0.542 175.769 176.300 0.018 0.000 1.185 2273 D CA 0.496 54.473 54.000 -0.038 0.000 0.886 2273 D CB 0.395 41.195 40.800 -0.000 0.000 1.148 2273 D HN 0.347 nan 8.370 nan 0.000 0.483 2274 F N 3.632 123.488 119.950 -0.156 0.000 2.385 2274 F HA 0.328 4.855 4.527 0.000 0.000 0.360 2274 F C -0.712 175.030 175.800 -0.096 0.000 1.122 2274 F CA -0.782 57.142 58.000 -0.127 0.000 1.090 2274 F CB 0.783 39.679 39.000 -0.174 0.000 1.150 2274 F HN 0.001 nan 8.300 nan 0.000 0.472 2275 V N 6.937 126.557 119.914 -0.489 0.000 2.417 2275 V HA 0.412 4.532 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 1.428 33.136 31.823 -0.191 0.000 0.985 2275 V HN 0.495 nan 8.190 nan 0.000 0.436 2276 V N 5.098 124.862 119.914 -0.250 0.000 2.328 2276 V HA 0.334 4.454 4.120 -0.000 0.000 0.278 2276 V C 0.108 176.075 176.094 -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 33.033 31.823 -0.108 0.000 0.999 2276 V HN 0.815 nan 8.190 nan 0.000 0.447 2277 Q N 3.012 122.697 119.800 -0.193 0.000 2.352 2277 Q HA 0.277 4.617 4.340 -0.000 0.000 0.260 2277 Q C -0.822 175.023 176.000 -0.260 0.000 0.976 2277 Q CA 0.116 55.825 55.803 -0.156 0.000 0.881 2277 Q CB 1.019 29.696 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 0.736 176.526 175.900 -0.183 0.000 1.123 2278 Y CA -0.392 57.481 58.100 -0.378 0.000 1.218 2278 Y CB 1.035 39.204 38.460 -0.485 0.000 1.207 2278 Y HN 0.644 nan 8.280 nan 0.000 0.495 2279 A N 3.030 125.865 122.820 0.024 0.000 2.313 2279 A HA 0.310 4.630 4.320 -0.000 0.000 0.261 2279 A C -0.146 177.415 177.584 -0.038 0.000 1.090 2279 A CA -0.798 51.193 52.037 -0.077 0.000 0.807 2279 A CB -0.010 18.822 19.000 -0.279 0.000 1.055 2279 A HN 0.875 nan 8.150 nan 0.000 0.492 2280 N N -0.680 117.929 118.700 -0.152 0.000 2.408 2280 N HA 0.534 5.274 4.740 -0.000 0.000 0.260 2280 N C 0.546 175.937 175.510 -0.199 0.000 1.242 2280 N CA -0.139 52.818 53.050 -0.155 0.000 0.959 2280 N CB 0.502 38.892 38.487 -0.162 0.000 1.201 2280 N HN 0.730 nan 8.380 nan 0.000 0.511 2281 L N -4.088 117.057 121.223 -0.131 0.000 3.570 2281 L HA -0.300 4.040 4.340 -0.000 0.000 0.382 2281 L C -0.305 176.777 176.870 0.352 0.000 0.698 2281 L CA 1.325 56.212 54.840 0.079 0.000 2.990 2281 L CB -1.366 40.699 42.059 0.010 0.000 0.731 2281 L HN 0.628 nan 8.230 nan 0.000 0.725 2282 Y N 1.297 121.585 120.300 -0.020 0.000 2.346 2282 Y HA 0.267 4.817 4.550 -0.000 0.000 0.330 2282 Y C 1.031 176.911 175.900 -0.033 0.000 1.178 2282 Y CA -0.636 57.323 58.100 -0.236 0.000 1.331 2282 Y CB 0.507 38.383 38.460 -0.972 0.000 1.253 2282 Y HN 0.059 nan 8.280 nan 0.000 0.529 2283 R N 3.563 124.153 120.500 0.151 0.000 2.247 2283 R HA 0.215 4.555 4.340 -0.000 0.000 0.329 2283 R C -1.713 174.632 176.300 0.074 0.000 1.014 2283 R CA -0.601 55.594 56.100 0.158 0.000 0.907 2283 R CB 0.369 30.708 30.300 0.064 0.000 1.146 2283 R HN 0.535 nan 8.270 nan 0.000 0.499 2284 Y N 3.235 123.643 120.300 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 -0.268 57.950 58.100 0.197 0.000 1.241 2284 Y CB 0.641 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 1.898 123.240 121.223 0.199 0.000 2.162 2285 L HA 0.038 4.378 4.340 -0.000 0.000 0.205 2285 L C 0.759 177.741 176.870 0.187 0.000 1.086 2285 L CA 0.612 55.510 54.840 0.095 0.000 0.778 2285 L CB -0.116 41.919 42.059 -0.039 0.000 0.928 2285 L HN 0.625 nan 8.230 nan 0.000 0.446 2286 S N -1.990 113.885 115.700 0.291 0.000 2.570 2286 S HA 0.611 5.081 4.470 -0.000 0.000 0.270 2286 S C -0.622 174.176 174.600 0.330 0.000 1.149 2286 S CA -0.678 57.666 58.200 0.239 0.000 0.837 2286 S CB 2.365 65.752 63.200 0.311 0.000 1.124 2286 S HN -0.071 nan 8.310 nan 0.000 0.465 2287 T N 1.934 116.595 114.554 0.178 0.000 2.916 2287 T HA 0.611 4.961 4.350 -0.000 0.000 0.298 2287 T C -0.955 173.725 174.700 -0.033 0.000 1.031 2287 T CA -0.397 61.766 62.100 0.105 0.000 0.993 2287 T CB 0.904 69.881 68.868 0.181 0.000 1.045 2287 T HN 0.660 nan 8.240 nan 0.000 0.454 2288 I N 2.237 122.724 120.570 -0.138 0.000 2.509 2288 I HA 0.723 4.893 4.170 -0.000 0.000 0.293 2288 I C -0.350 175.622 176.117 -0.241 0.000 1.020 2288 I CA -0.930 60.330 61.300 -0.068 0.000 1.088 2288 I CB 1.751 39.813 38.000 0.102 0.000 1.267 2288 I HN 0.734 nan 8.210 nan 0.000 0.430 2289 A N 6.247 128.978 122.820 -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 51.489 52.037 -0.121 0.000 0.757 2289 A CB 1.352 20.189 19.000 -0.271 0.000 1.188 2289 A HN 0.392 nan 8.150 nan 0.000 0.460 2290 V N 3.340 123.347 119.914 0.154 0.000 2.357 2290 V HA 0.315 4.435 4.120 -0.000 0.000 0.284 2290 V C -0.694 175.583 176.094 0.305 0.000 1.018 2290 V CA -0.392 62.044 62.300 0.226 0.000 0.841 2290 V CB 1.189 33.093 31.823 0.136 0.000 0.991 2290 V HN 0.782 nan 8.190 nan 0.000 0.437 2291 F N 5.288 125.330 119.950 0.152 0.000 2.406 2291 F HA 0.369 4.896 4.527 0.000 0.000 0.358 2291 F C 0.457 176.147 175.800 -0.184 0.000 1.161 2291 F CA -1.792 56.214 58.000 0.011 0.000 1.185 2291 F CB 0.176 39.203 39.000 0.047 0.000 1.421 2291 F HN 0.600 nan 8.300 nan 0.000 0.576 2292 D N 4.255 124.637 120.400 -0.030 0.000 2.435 2292 D HA -0.028 4.612 4.640 -0.000 0.000 0.230 2292 D C -0.089 175.874 176.300 -0.563 0.000 1.215 2292 D CA 0.085 53.757 54.000 -0.547 0.000 0.947 2292 D CB -0.318 40.401 40.800 -0.135 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 -0.973 0.000 3.050 2293 N HA 0.192 4.932 4.740 -0.000 0.000 0.289 2293 N C 0.731 175.931 175.510 -0.518 0.000 1.209 2293 N CA 0.409 52.935 53.050 -0.873 0.000 1.154 2293 N CB -0.432 37.337 38.487 -1.198 0.000 1.444 2293 N HN 0.608 nan 8.380 nan 0.000 0.529 2294 G N 0.985 109.580 108.800 -0.342 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 1.106 nan 8.290 nan 0.000 0.506 2295 G N -2.331 106.292 108.800 -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 0.477 175.246 174.900 -0.219 0.000 0.990 2295 G CA 0.644 45.645 45.100 -0.165 0.000 0.627 2295 G HN 1.742 nan 8.290 nan 0.000 0.522 2296 S N 0.263 115.701 115.700 -0.437 0.000 2.508 2296 S HA 0.761 5.231 4.470 -0.000 0.000 0.284 2296 S C -0.808 173.381 174.600 -0.684 0.000 1.192 2296 S CA -0.294 57.695 58.200 -0.351 0.000 1.070 2296 S CB 0.882 63.909 63.200 -0.288 0.000 1.004 2296 S HN 0.308 nan 8.310 nan 0.000 0.493 2297 F N 2.902 122.746 119.950 -0.177 0.000 2.445 2297 F HA 0.442 4.969 4.527 -0.000 0.000 0.348 2297 F C 0.455 176.193 175.800 -0.103 0.000 1.125 2297 F CA -0.850 57.055 58.000 -0.158 0.000 0.983 2297 F CB 1.203 40.112 39.000 -0.153 0.000 1.198 2297 F HN 0.389 nan 8.300 nan 0.000 0.436 2298 N N 1.426 120.124 118.700 -0.004 0.000 2.384 2298 N HA 0.502 5.242 4.740 -0.000 0.000 0.301 2298 N C -0.491 175.085 175.510 0.110 0.000 1.133 2298 N CA -0.706 52.362 53.050 0.030 0.000 0.853 2298 N CB 2.236 40.705 38.487 -0.030 0.000 1.241 2298 N HN 0.574 nan 8.380 nan 0.000 0.502 2299 A N 0.610 123.492 122.820 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 -1.425 17.633 19.000 0.095 0.000 1.108 2299 A HN 0.915 nan 8.150 nan 0.000 0.621 2300 G N 1.067 110.038 108.800 0.284 0.000 2.302 2300 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.263 2300 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.263 2300 G C 1.359 176.347 174.900 0.148 0.000 0.995 2300 G CA 1.549 46.813 45.100 0.273 0.000 0.622 2300 G HN 1.558 nan 8.290 nan 0.000 0.538 2301 T N -0.627 113.994 114.554 0.112 0.000 2.977 2301 T HA 0.045 4.395 4.350 -0.000 0.000 0.271 2301 T C 1.477 176.208 174.700 0.052 0.000 1.105 2301 T CA 1.873 64.014 62.100 0.068 0.000 1.116 2301 T CB -0.240 68.656 68.868 0.047 0.000 0.878 2301 T HN 0.624 nan 8.240 nan 0.000 0.509 2302 D N 0.323 120.767 120.400 0.073 0.000 2.368 2302 D HA 0.256 4.896 4.640 -0.000 0.000 0.218 2302 D C 0.145 176.530 176.300 0.141 0.000 1.112 2302 D CA -0.497 53.554 54.000 0.085 0.000 0.834 2302 D CB -0.306 40.509 40.800 0.024 0.000 0.953 2302 D HN 0.478 nan 8.370 nan 0.000 0.505 2303 I N 0.465 121.072 120.570 0.061 0.000 2.545 2303 I HA 0.217 4.387 4.170 -0.000 0.000 0.292 2303 I C 0.619 176.685 176.117 -0.086 0.000 1.040 2303 I CA -0.863 60.400 61.300 -0.062 0.000 1.068 2303 I CB 2.139 40.040 38.000 -0.165 0.000 1.251 2303 I HN -0.269 nan 8.210 nan 0.000 0.424 2304 N N 3.894 122.495 118.700 -0.166 0.000 2.197 2304 N HA -0.002 4.738 4.740 -0.000 0.000 0.184 2304 N C -0.570 174.946 175.510 0.009 0.000 1.030 2304 N CA 1.405 54.402 53.050 -0.088 0.000 0.851 2304 N CB 0.246 38.642 38.487 -0.152 0.000 1.003 2304 N HN 0.629 nan 8.380 nan 0.000 0.430 2305 Y N -1.980 118.242 120.300 -0.130 0.000 2.741 2305 Y HA 0.630 5.180 4.550 -0.000 0.000 0.339 2305 Y C -1.791 173.937 175.900 -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 38.888 38.460 -0.083 0.000 1.331 2305 Y HN -0.276 nan 8.280 nan 0.000 0.453 2306 L N 1.640 122.807 121.223 -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 54.002 54.840 -0.485 0.000 0.820 2306 L CB 2.214 43.490 42.059 -1.305 0.000 1.352 2306 L HN 0.891 nan 8.230 nan 0.000 0.421 2307 S N -0.168 115.318 115.700 -0.356 0.000 2.636 2307 S HA 0.588 5.058 4.470 -0.000 0.000 0.268 2307 S C -2.077 172.393 174.600 -0.216 0.000 1.159 2307 S CA -0.616 57.550 58.200 -0.058 0.000 0.815 2307 S CB 1.610 64.817 63.200 0.012 0.000 1.130 2307 S HN 0.579 nan 8.310 nan 0.000 0.471 2308 Q N 1.069 120.867 119.800 -0.002 0.000 2.304 2308 Q HA 0.571 4.911 4.340 -0.000 0.000 0.270 2308 Q C -1.108 174.917 176.000 0.042 0.000 1.035 2308 Q CA -0.685 55.149 55.803 0.052 0.000 0.781 2308 Q CB 2.208 31.035 28.738 0.147 0.000 1.261 2308 Q HN 0.665 nan 8.270 nan 0.000 0.444 2309 R N -0.641 119.889 120.500 0.050 0.000 2.604 2309 R HA 0.439 4.779 4.340 -0.000 0.000 0.281 2309 R C -0.341 175.980 176.300 0.035 0.000 1.020 2309 R CA -0.706 55.410 56.100 0.028 0.000 0.899 2309 R CB 0.980 31.286 30.300 0.009 0.000 1.205 2309 R HN 0.504 nan 8.270 nan 0.000 0.450 2310 T N 0.684 115.248 114.554 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 -0.528 68.342 68.868 0.003 0.000 1.121 2310 T HN 1.087 nan 8.240 nan 0.000 0.608 2311 A N 1.497 124.320 122.820 0.006 0.000 5.821 2311 A HA -0.066 4.254 4.320 -0.000 0.000 0.282 2311 A C 1.526 179.107 177.584 -0.006 0.000 2.032 2311 A CA 1.753 53.788 52.037 -0.003 0.000 0.715 2311 A CB -2.354 16.641 19.000 -0.008 0.000 1.178 2311 A HN 2.327 nan 8.150 nan 0.000 0.370 2312 N N -2.432 116.263 118.700 -0.009 0.000 2.677 2312 N HA 0.424 5.164 4.740 -0.000 0.000 0.249 2312 N C 1.307 176.811 175.510 -0.009 0.000 1.073 2312 N CA 2.172 55.216 53.050 -0.009 0.000 0.737 2312 N CB -2.256 36.226 38.487 -0.009 0.000 0.999 2312 N HN 2.686 nan 8.380 nan 0.000 0.543 2313 F N -2.173 117.771 119.950 -0.009 0.000 2.694 2313 F HA 0.139 4.666 4.527 -0.000 0.000 0.215 2313 F C 0.815 176.607 175.800 -0.013 0.000 1.032 2313 F CA 1.543 59.536 58.000 -0.011 0.000 0.871 2313 F CB -1.728 37.266 39.000 -0.011 0.000 0.776 2313 F HN 1.959 nan 8.300 nan 0.000 0.850 2314 S N 1.423 117.116 115.700 -0.012 0.000 2.721 2314 S HA 0.480 4.950 4.470 -0.000 0.000 0.264 2314 S C -0.926 173.668 174.600 -0.011 0.000 1.161 2314 S CA -0.289 57.903 58.200 -0.013 0.000 1.113 2314 S CB 0.643 63.837 63.200 -0.009 0.000 1.079 2314 S HN 0.579 nan 8.310 nan 0.000 0.479 2315 D N 2.798 123.185 120.400 -0.021 0.000 2.256 2315 D HA 0.238 4.878 4.640 -0.000 0.000 0.250 2315 D C 1.207 177.500 176.300 -0.012 0.000 1.093 2315 D CA -0.058 53.931 54.000 -0.018 0.000 0.882 2315 D CB 1.888 42.663 40.800 -0.043 0.000 1.185 2315 D HN 0.660 nan 8.370 nan 0.000 0.437 2316 T N -1.058 113.497 114.554 0.002 0.000 3.022 2316 T HA 0.060 4.410 4.350 -0.000 0.000 0.250 2316 T C 0.930 175.630 174.700 -0.000 0.000 1.060 2316 T CA -0.278 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 0.419 120.931 120.500 0.020 0.000 2.714 2317 R HA 0.312 4.652 4.340 -0.000 0.000 0.214 2317 R C -0.844 175.524 176.300 0.113 0.000 1.474 2317 R CA -0.653 55.467 56.100 0.034 0.000 1.435 2317 R CB -0.322 29.968 30.300 -0.018 0.000 1.517 2317 R HN 0.084 nan 8.270 nan 0.000 0.748 2318 K N 2.878 123.302 120.400 0.040 0.000 2.338 2318 K HA 0.283 4.603 4.320 -0.000 0.000 0.290 2318 K C -0.960 175.662 176.600 0.037 0.000 1.069 2318 K CA -0.104 56.184 56.287 0.001 0.000 0.941 2318 K CB 0.467 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 3.280 124.615 121.223 0.187 0.000 2.371 2319 L HA 0.341 4.681 4.340 -0.000 0.000 0.262 2319 L C -0.430 176.576 176.870 0.227 0.000 1.006 2319 L CA -1.376 53.592 54.840 0.213 0.000 0.818 2319 L CB 2.034 44.287 42.059 0.324 0.000 1.354 2319 L HN 0.737 nan 8.230 nan 0.000 0.415 2320 D N 0.342 120.847 120.400 0.176 0.000 2.368 2320 D HA 0.149 4.790 4.640 -0.000 0.000 0.240 2320 D C -2.109 174.305 176.300 0.190 0.000 1.169 2320 D CA -1.209 52.888 54.000 0.160 0.000 0.906 2320 D CB 0.666 41.540 40.800 0.123 0.000 1.187 2320 D HN 0.196 nan 8.370 nan 0.000 0.435 2321 P HA -0.217 nan 4.420 nan 0.000 0.216 2321 P C 1.131 178.605 177.300 0.290 0.000 1.150 2321 P CA 1.530 64.734 63.100 0.175 0.000 0.843 2321 P CB 0.090 31.860 31.700 0.117 0.000 0.787 2322 K N -1.070 119.460 120.400 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 1.528 57.937 56.287 0.202 0.000 0.938 2322 K CB -0.400 32.185 32.500 0.141 0.000 0.718 2322 K HN 0.032 nan 8.250 nan 0.000 0.442 2323 T N 0.335 115.011 114.554 0.203 0.000 2.904 2323 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 2323 T C 1.114 175.947 174.700 0.221 0.000 1.059 2323 T CA 0.773 62.977 62.100 0.173 0.000 1.137 2323 T CB -0.200 68.750 68.868 0.136 0.000 0.879 2323 T HN 0.437 nan 8.240 nan 0.000 0.467 2324 W N 2.246 123.619 121.300 0.121 0.000 2.358 2324 W HA -0.068 4.592 4.660 -0.000 0.000 0.303 2324 W C 2.445 179.088 176.519 0.206 0.000 1.208 2324 W CA 1.250 58.689 57.345 0.157 0.000 1.274 2324 W CB -0.612 28.949 29.460 0.168 0.000 1.138 2324 W HN 0.288 nan 8.180 nan 0.000 0.515 2325 A N 0.896 124.018 122.820 0.502 0.000 1.972 2325 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 2325 A C 2.186 179.895 177.584 0.208 0.000 1.169 2325 A CA 2.548 54.813 52.037 0.380 0.000 0.635 2325 A CB -1.215 17.981 19.000 0.326 0.000 0.810 2325 A HN 0.291 nan 8.150 nan 0.000 0.446 2326 A N -0.913 122.001 122.820 0.157 0.000 1.933 2326 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 2326 A C 2.089 179.707 177.584 0.056 0.000 1.175 2326 A CA 1.666 53.758 52.037 0.092 0.000 0.628 2326 A CB -0.430 18.616 19.000 0.076 0.000 0.814 2326 A HN 0.498 nan 8.150 nan 0.000 0.444 2327 Q N -0.492 119.320 119.800 0.019 0.000 2.124 2327 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 2327 Q C 2.111 178.130 176.000 0.032 0.000 0.977 2327 Q CA 1.982 57.767 55.803 -0.031 0.000 0.850 2327 Q CB -1.221 27.413 28.738 -0.173 0.000 0.901 2327 Q HN 0.636 nan 8.270 nan 0.000 0.429 2328 T N 1.086 115.698 114.554 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 62.978 62.100 0.212 0.000 1.139 2328 T CB -0.038 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 0.722 121.265 120.500 0.071 0.000 2.152 2329 R HA 0.028 4.368 4.340 -0.000 0.000 0.232 2329 R C 2.440 178.747 176.300 0.010 0.000 1.117 2329 R CA 0.759 56.871 56.100 0.020 0.000 0.981 2329 R CB -0.069 30.248 30.300 0.028 0.000 0.870 2329 R HN 0.221 nan 8.270 nan 0.000 0.451 2330 R N 0.171 120.688 120.500 0.028 0.000 2.189 2330 R HA 0.014 4.354 4.340 -0.000 0.000 0.218 2330 R C 1.849 178.165 176.300 0.028 0.000 1.074 2330 R CA 0.739 56.852 56.100 0.022 0.000 0.991 2330 R CB 0.023 30.337 30.300 0.023 0.000 0.883 2330 R HN 0.169 nan 8.270 nan 0.000 0.457 2331 R N 0.408 120.938 120.500 0.049 0.000 2.146 2331 R HA 0.159 4.499 4.340 -0.000 0.000 0.206 2331 R C 2.026 178.315 176.300 -0.018 0.000 1.049 2331 R CA 0.769 56.906 56.100 0.062 0.000 1.029 2331 R CB 0.057 30.471 30.300 0.191 0.000 0.949 2331 R HN 0.313 nan 8.270 nan 0.000 0.471 2332 I N -3.969 116.551 120.570 -0.084 0.000 4.147 2332 I HA 0.478 4.648 4.170 -0.000 0.000 0.329 2332 I C 0.497 176.525 176.117 -0.149 0.000 1.424 2332 I CA 0.101 61.297 61.300 -0.172 0.000 1.127 2332 I CB 0.882 38.650 38.000 -0.386 0.000 1.128 2332 I HN -0.042 nan 8.210 nan 0.000 0.417 2333 A N 0.295 123.060 122.820 -0.092 0.000 2.861 2333 A HA -0.213 4.107 4.320 -0.000 0.000 0.261 2333 A C 0.637 178.174 177.584 -0.078 0.000 1.351 2333 A CA 1.670 53.666 52.037 -0.070 0.000 0.904 2333 A CB -2.297 16.665 19.000 -0.063 0.000 1.076 2333 A HN 0.806 nan 8.150 nan 0.000 0.729 2334 T N -1.851 112.638 114.554 -0.108 0.000 2.654 2334 T HA 0.497 4.847 4.350 -0.000 0.000 0.303 2334 T C -2.120 172.504 174.700 -0.127 0.000 1.656 2334 T CA 0.137 62.177 62.100 -0.100 0.000 0.971 2334 T CB 0.941 69.741 68.868 -0.114 0.000 1.811 2334 T HN 0.285 nan 8.240 nan 0.000 0.483 2335 D N 0.566 120.909 120.400 -0.094 0.000 2.217 2335 D HA 0.516 5.156 4.640 -0.000 0.000 0.248 2335 D C -0.277 175.934 176.300 -0.148 0.000 1.008 2335 D CA -0.120 53.844 54.000 -0.060 0.000 0.914 2335 D CB 0.801 41.616 40.800 0.024 0.000 1.182 2335 D HN 0.334 nan 8.370 nan 0.000 0.451 2336 F N 0.587 120.472 119.950 -0.108 0.000 2.399 2336 F HA 0.220 4.747 4.527 -0.000 0.000 0.313 2336 F C -1.341 174.355 175.800 -0.174 0.000 1.202 2336 F CA -1.266 56.592 58.000 -0.236 0.000 1.192 2336 F CB 0.079 38.834 39.000 -0.409 0.000 1.256 2336 F HN 0.070 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 0.053 0.000 1.227 2337 P CA -0.268 62.896 63.100 0.106 0.000 0.788 2337 P CB 0.328 32.193 31.700 0.274 0.000 0.926 2338 K N 1.129 121.570 120.400 0.068 0.000 2.530 2338 K HA 0.110 4.430 4.320 -0.000 0.000 0.280 2338 K C 1.289 177.952 176.600 0.104 0.000 1.004 2338 K CA 1.284 57.613 56.287 0.069 0.000 1.071 2338 K CB -0.768 31.792 32.500 0.100 0.000 0.876 2338 K HN 0.864 nan 8.250 nan 0.000 0.487 2339 G N 1.185 109.998 108.800 0.021 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 0.078 45.248 45.100 0.116 0.000 0.642 2339 G HN 0.428 nan 8.290 nan 0.000 0.536 2340 V N 0.998 120.697 119.914 -0.357 0.000 2.370 2340 V HA 0.649 4.769 4.120 -0.000 0.000 0.283 2340 V C -0.290 175.441 176.094 -0.605 0.000 1.023 2340 V CA -0.814 61.275 62.300 -0.352 0.000 0.857 2340 V CB 0.825 32.414 31.823 -0.389 0.000 0.985 2340 V HN 0.252 nan 8.190 nan 0.000 0.443 2341 Y N 4.137 124.471 120.300 0.058 0.000 2.393 2341 Y HA 0.623 5.173 4.550 -0.000 0.000 0.341 2341 Y C -0.508 175.568 175.900 0.293 0.000 0.988 2341 Y CA -0.804 57.434 58.100 0.231 0.000 1.078 2341 Y CB 1.826 40.346 38.460 0.101 0.000 1.203 2341 Y HN 0.631 nan 8.280 nan 0.000 0.453 2342 Y N 2.179 122.781 120.300 0.503 0.000 2.468 2342 Y HA 0.672 5.222 4.550 0.000 0.000 0.342 2342 Y C -1.191 175.005 175.900 0.494 0.000 1.021 2342 Y CA -1.828 56.463 58.100 0.318 0.000 1.079 2342 Y CB 1.712 40.287 38.460 0.190 0.000 1.226 2342 Y HN 0.803 nan 8.280 nan 0.000 0.460 2343 C N 6.638 125.677 119.300 -0.435 0.000 2.432 2343 C HA 0.366 4.826 4.460 -0.000 0.000 0.334 2343 C C -1.318 173.292 174.990 -0.634 0.000 1.155 2343 C CA -0.709 58.120 59.018 -0.315 0.000 1.335 2343 C CB -0.018 27.915 27.740 0.322 0.000 1.964 2343 C HN 0.885 nan 8.230 nan 0.000 0.444 2344 D N 3.995 124.102 120.400 -0.490 0.000 2.280 2344 D HA 0.295 4.935 4.640 -0.000 0.000 0.243 2344 D C 0.039 176.307 176.300 -0.053 0.000 1.129 2344 D CA 0.274 54.155 54.000 -0.200 0.000 0.848 2344 D CB 0.754 41.569 40.800 0.026 0.000 1.107 2344 D HN 0.710 nan 8.370 nan 0.000 0.471 2345 N N 3.516 122.223 118.700 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 0.028 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 0.476 121.008 120.500 0.053 0.000 2.081 2346 R HA -0.044 4.296 4.340 -0.000 0.000 0.235 2346 R C 0.739 177.046 176.300 0.012 0.000 1.131 2346 R CA 1.159 57.284 56.100 0.042 0.000 0.960 2346 R CB 0.105 30.471 30.300 0.109 0.000 0.856 2346 R HN 0.121 nan 8.270 nan 0.000 0.436 2347 D N 0.417 120.831 120.400 0.023 0.000 2.194 2347 D HA -0.041 4.599 4.640 -0.000 0.000 0.204 2347 D C 0.208 176.511 176.300 0.006 0.000 0.964 2347 D CA 1.241 55.249 54.000 0.014 0.000 0.846 2347 D CB 0.227 41.037 40.800 0.018 0.000 0.962 2347 D HN 0.118 nan 8.370 nan 0.000 0.490 2348 K N 0.906 121.312 120.400 0.009 0.000 2.753 2348 K HA 0.293 4.613 4.320 -0.000 0.000 0.185 2348 K C -2.737 173.875 176.600 0.020 0.000 1.071 2348 K CA -1.466 54.828 56.287 0.012 0.000 0.999 2348 K CB 2.322 34.829 32.500 0.012 0.000 1.244 2348 K HN -0.107 nan 8.250 nan 0.000 0.594 2349 P HA -0.038 nan 4.420 nan 0.000 0.265 2349 P C -0.117 177.233 177.300 0.084 0.000 1.187 2349 P CA -0.186 62.944 63.100 0.049 0.000 0.766 2349 P CB 0.453 32.170 31.700 0.029 0.000 0.820 2350 I N 3.636 124.254 120.570 0.080 0.000 2.587 2350 I HA 0.007 4.177 4.170 -0.000 0.000 0.284 2350 I C -0.039 176.222 176.117 0.240 0.000 1.134 2350 I CA 0.257 61.564 61.300 0.012 0.000 1.410 2350 I CB -1.203 36.568 38.000 -0.383 0.000 1.392 2350 I HN 0.402 nan 8.210 nan 0.000 0.545 2351 Y N 5.795 126.117 120.300 0.036 0.000 2.315 2351 Y HA 0.162 4.712 4.550 -0.000 0.000 0.324 2351 Y C 1.286 177.211 175.900 0.041 0.000 1.062 2351 Y CA -1.051 57.094 58.100 0.074 0.000 1.159 2351 Y CB 1.585 40.081 38.460 0.060 0.000 1.145 2351 Y HN 0.725 nan 8.280 nan 0.000 0.442 2352 T N 0.756 115.228 114.554 -0.136 0.000 2.881 2352 T HA -0.181 4.169 4.350 -0.000 0.000 0.270 2352 T C 2.036 176.583 174.700 -0.256 0.000 1.068 2352 T CA 1.791 63.796 62.100 -0.158 0.000 1.131 2352 T CB -0.707 68.093 68.868 -0.112 0.000 0.871 2352 T HN 0.549 nan 8.240 nan 0.000 0.479 2353 L N 0.658 121.548 121.223 -0.554 0.000 2.056 2353 L HA 0.351 4.691 4.340 -0.000 0.000 0.207 2353 L C 3.038 179.814 176.870 -0.157 0.000 1.078 2353 L CA 2.394 56.986 54.840 -0.412 0.000 0.749 2353 L CB -2.199 39.483 42.059 -0.628 0.000 0.901 2353 L HN 0.727 nan 8.230 nan 0.000 0.433 2354 Q N -2.417 117.356 119.800 -0.045 0.000 2.360 2354 Q HA 0.369 4.709 4.340 -0.000 0.000 0.202 2354 Q C 1.437 177.463 176.000 0.043 0.000 0.915 2354 Q CA 1.535 57.387 55.803 0.082 0.000 0.943 2354 Q CB -0.953 27.917 28.738 0.221 0.000 1.064 2354 Q HN 1.856 nan 8.270 nan 0.000 0.511 2355 Y N -3.207 117.096 120.300 0.004 0.000 2.795 2355 Y HA 0.546 5.096 4.550 -0.000 0.000 0.274 2355 Y C 1.275 177.165 175.900 -0.016 0.000 1.035 2355 Y CA 0.235 58.337 58.100 0.002 0.000 1.252 2355 Y CB -0.063 38.405 38.460 0.013 0.000 1.399 2355 Y HN 1.235 nan 8.280 nan 0.000 0.579 2356 G N 0.898 109.675 108.800 -0.038 0.000 2.760 2356 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.246 2356 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.246 2356 G C -0.508 174.371 174.900 -0.035 0.000 1.359 2356 G CA -0.379 44.698 45.100 -0.040 0.000 0.861 2356 G HN 0.941 nan 8.290 nan 0.000 0.541 2357 N N -0.987 117.696 118.700 -0.028 0.000 2.454 2357 N HA 0.333 5.073 4.740 -0.000 0.000 0.254 2357 N C -0.002 175.517 175.510 0.015 0.000 1.228 2357 N CA 0.389 53.432 53.050 -0.011 0.000 0.900 2357 N CB 0.807 39.284 38.487 -0.017 0.000 1.089 2357 N HN 0.519 nan 8.380 nan 0.000 0.449 2358 V N 0.150 120.100 119.914 0.060 0.000 2.962 2358 V HA 0.754 4.874 4.120 -0.000 0.000 0.313 2358 V C 0.392 176.646 176.094 0.265 0.000 1.099 2358 V CA -0.816 61.550 62.300 0.111 0.000 0.971 2358 V CB 2.087 33.928 31.823 0.029 0.000 1.028 2358 V HN 0.811 nan 8.190 nan 0.000 0.430 2359 G N 0.691 109.644 108.800 0.256 0.000 2.660 2359 G HA2 0.672 4.631 3.960 -0.000 0.000 0.294 2359 G HA3 0.672 4.631 3.960 -0.000 0.000 0.294 2359 G C -2.049 173.014 174.900 0.272 0.000 1.369 2359 G CA -0.606 44.617 45.100 0.206 0.000 0.912 2359 G HN 0.489 nan 8.290 nan 0.000 0.479 2360 F N 1.704 121.655 119.950 0.001 0.000 2.408 2360 F HA 0.651 5.178 4.527 -0.000 0.000 0.344 2360 F C -0.223 175.559 175.800 -0.031 0.000 1.112 2360 F CA -0.497 57.535 58.000 0.055 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 6.489 126.130 119.914 -0.454 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 -0.354 0.000 1.038 2361 V CA -0.872 61.269 62.300 -0.264 0.000 0.887 2361 V CB 1.583 33.322 31.823 -0.140 0.000 0.991 2361 V HN 0.568 nan 8.190 nan 0.000 0.434 2362 V N 3.865 123.667 119.914 -0.187 0.000 2.525 2362 V HA 0.468 4.588 4.120 -0.000 0.000 0.299 2362 V C -0.370 175.517 176.094 -0.345 0.000 1.034 2362 V CA -0.627 61.486 62.300 -0.311 0.000 0.863 2362 V CB 2.022 33.669 31.823 -0.294 0.000 0.999 2362 V HN 0.897 nan 8.190 nan 0.000 0.423 2363 N N 6.800 125.154 118.700 -0.577 0.000 2.558 2363 N HA 0.370 5.110 4.740 -0.000 0.000 0.242 2363 N C -2.758 172.461 175.510 -0.486 0.000 0.979 2363 N CA -1.622 51.067 53.050 -0.601 0.000 0.931 2363 N CB 2.530 40.343 38.487 -1.124 0.000 1.122 2363 N HN 0.343 nan 8.380 nan 0.000 0.508 2364 P HA 0.129 nan 4.420 nan 0.000 0.275 2364 P C 0.176 177.403 177.300 -0.121 0.000 1.228 2364 P CA -0.152 62.810 63.100 -0.230 0.000 0.786 2364 P CB 2.069 33.629 31.700 -0.234 0.000 0.927 2365 K N 1.423 121.797 120.400 -0.044 0.000 2.168 2365 K HA 0.087 4.407 4.320 -0.000 0.000 0.201 2365 K C 0.037 176.636 176.600 -0.002 0.000 1.049 2365 K CA 0.936 57.208 56.287 -0.026 0.000 0.974 2365 K CB 0.284 32.779 32.500 -0.008 0.000 0.792 2365 K HN 0.427 nan 8.250 nan 0.000 0.463 2366 T N 0.812 115.385 114.554 0.032 0.000 2.886 2366 T HA 0.435 4.785 4.350 -0.000 0.000 0.292 2366 T C -1.454 173.276 174.700 0.051 0.000 1.012 2366 T CA -0.701 61.408 62.100 0.015 0.000 0.982 2366 T CB 2.297 71.156 68.868 -0.014 0.000 1.018 2366 T HN -0.175 nan 8.240 nan 0.000 0.451 2367 V N 4.323 124.246 119.914 0.015 0.000 2.447 2367 V HA 0.404 4.524 4.120 -0.000 0.000 0.292 2367 V C -0.266 175.804 176.094 -0.041 0.000 1.021 2367 V CA -1.130 61.185 62.300 0.025 0.000 0.850 2367 V CB 1.472 33.305 31.823 0.017 0.000 1.005 2367 V HN 0.770 nan 8.190 nan 0.000 0.426 2368 N N 2.582 121.226 118.700 -0.094 0.000 2.379 2368 N HA 0.293 5.033 4.740 -0.000 0.000 0.260 2368 N C 0.038 175.499 175.510 -0.082 0.000 1.254 2368 N CA -0.606 52.382 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 0.541 nan 8.380 nan 0.000 0.532 2369 Q N 1.144 120.903 119.800 -0.070 0.000 2.364 2369 Q HA 0.063 4.403 4.340 -0.000 0.000 0.267 2369 Q C -0.011 175.952 176.000 -0.062 0.000 0.999 2369 Q CA 0.346 56.117 55.803 -0.053 0.000 0.886 2369 Q CB 0.132 28.845 28.738 -0.041 0.000 1.243 2369 Q HN 0.482 nan 8.270 nan 0.000 0.415 2370 N N -1.294 117.378 118.700 -0.046 0.000 2.776 2370 N HA -0.182 4.558 4.740 -0.000 0.000 0.249 2370 N C -0.713 174.762 175.510 -0.059 0.000 1.111 2370 N CA 0.988 54.014 53.050 -0.042 0.000 0.711 2370 N CB -1.289 37.176 38.487 -0.037 0.000 1.065 2370 N HN 0.671 nan 8.380 nan 0.000 0.556 2371 A N 0.814 123.597 122.820 -0.061 0.000 2.371 2371 A HA 0.661 4.981 4.320 -0.000 0.000 0.257 2371 A C 0.887 178.456 177.584 -0.025 0.000 1.089 2371 A CA 0.130 52.141 52.037 -0.043 0.000 0.794 2371 A CB 0.655 19.669 19.000 0.023 0.000 1.029 2371 A HN 0.471 nan 8.150 nan 0.000 0.488 2372 R N 0.801 121.316 120.500 0.024 0.000 2.712 2372 R HA 0.617 4.957 4.340 -0.000 0.000 0.272 2372 R C -2.118 174.220 176.300 0.064 0.000 1.032 2372 R CA -0.926 55.171 56.100 -0.005 0.000 0.874 2372 R CB 0.920 31.239 30.300 0.032 0.000 1.256 2372 R HN 0.469 nan 8.270 nan 0.000 0.468 2373 L N 2.600 123.842 121.223 0.032 0.000 2.313 2373 L HA 0.487 4.827 4.340 -0.000 0.000 0.283 2373 L C -0.765 176.186 176.870 0.134 0.000 1.013 2373 L CA -1.053 53.840 54.840 0.089 0.000 0.816 2373 L CB 1.677 43.793 42.059 0.096 0.000 1.236 2373 L HN 0.461 nan 8.230 nan 0.000 0.419 2374 L N 4.856 126.175 121.223 0.159 0.000 2.265 2374 L HA 0.459 4.799 4.340 -0.000 0.000 0.289 2374 L C -0.203 176.746 176.870 0.133 0.000 1.033 2374 L CA -0.320 54.647 54.840 0.211 0.000 0.814 2374 L CB 1.312 43.575 42.059 0.340 0.000 1.203 2374 L HN 0.479 nan 8.230 nan 0.000 0.423 2375 M N 2.571 122.170 119.600 -0.001 0.000 2.300 2375 M HA 0.516 4.996 4.480 -0.000 0.000 0.348 2375 M C 0.270 176.286 176.300 -0.473 0.000 1.151 2375 M CA -0.375 54.741 55.300 -0.308 0.000 1.046 2375 M CB 1.575 33.916 32.600 -0.432 0.000 1.647 2375 M HN 0.582 nan 8.290 nan 0.000 0.451 2376 G N 2.899 111.272 108.800 -0.712 0.000 2.544 2376 G HA2 0.696 4.656 3.960 -0.000 0.000 0.313 2376 G HA3 0.696 4.656 3.960 -0.000 0.000 0.313 2376 G C -1.886 172.608 174.900 -0.677 0.000 1.316 2376 G CA -0.240 44.222 45.100 -1.063 0.000 0.944 2376 G HN 0.594 nan 8.290 nan 0.000 0.489 2377 Y N 0.158 120.486 120.300 0.047 0.000 2.485 2377 Y HA 0.581 5.131 4.550 0.000 0.000 0.345 2377 Y C 0.240 176.392 175.900 0.419 0.000 0.998 2377 Y CA -0.942 57.382 58.100 0.374 0.000 1.059 2377 Y CB 2.849 41.650 38.460 0.569 0.000 1.234 2377 Y HN 0.503 nan 8.280 nan 0.000 0.461 2378 E N 2.575 123.108 120.200 0.556 0.000 2.199 2378 E HA 0.454 4.804 4.350 -0.000 0.000 0.265 2378 E C -1.860 174.906 176.600 0.276 0.000 0.882 2378 E CA -0.692 55.876 56.400 0.280 0.000 0.759 2378 E CB 1.317 31.205 29.700 0.312 0.000 1.148 2378 E HN 0.570 nan 8.360 nan 0.000 0.412 2379 Y N 1.655 121.966 120.300 0.017 0.000 2.638 2379 Y HA 0.562 5.112 4.550 -0.000 0.000 0.335 2379 Y C -1.899 173.966 175.900 -0.058 0.000 1.155 2379 Y CA -1.477 56.531 58.100 -0.153 0.000 1.046 2379 Y CB 0.998 39.205 38.460 -0.421 0.000 1.303 2379 Y HN 0.301 nan 8.280 nan 0.000 0.460 2380 F N 0.855 120.913 119.950 0.181 0.000 2.480 2380 F HA 0.710 5.237 4.527 0.000 0.000 0.329 2380 F C 0.191 176.062 175.800 0.119 0.000 1.091 2380 F CA -0.915 57.142 58.000 0.095 0.000 0.972 2380 F CB 2.530 41.529 39.000 -0.001 0.000 1.150 2380 F HN 0.736 nan 8.300 nan 0.000 0.467 2381 T N 1.117 115.835 114.554 0.272 0.000 2.885 2381 T HA 0.276 4.626 4.350 -0.000 0.000 0.322 2381 T C -1.124 173.641 174.700 0.108 0.000 1.387 2381 T CA -0.566 61.647 62.100 0.189 0.000 1.041 2381 T CB 1.475 70.434 68.868 0.151 0.000 1.287 2381 T HN 0.480 nan 8.240 nan 0.000 0.491 2382 S N 2.330 118.093 115.700 0.105 0.000 2.548 2382 S HA 0.248 4.718 4.470 -0.000 0.000 0.277 2382 S C 1.503 176.136 174.600 0.055 0.000 1.315 2382 S CA -0.591 57.645 58.200 0.059 0.000 1.050 2382 S CB 1.039 64.276 63.200 0.061 0.000 0.918 2382 S HN 0.659 nan 8.310 nan 0.000 0.497 2383 R N 1.444 121.962 120.500 0.029 0.000 2.083 2383 R HA -0.092 4.248 4.340 -0.000 0.000 0.237 2383 R C 1.453 177.778 176.300 0.041 0.000 1.137 2383 R CA 1.663 57.778 56.100 0.025 0.000 0.951 2383 R CB -0.716 29.599 30.300 0.026 0.000 0.851 2383 R HN 0.826 nan 8.270 nan 0.000 0.434 2384 T N 0.000 114.579 114.554 0.041 0.000 3.816 2384 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 2384 T CA 0.000 62.125 62.100 0.041 0.000 1.349 2384 T CB 0.000 68.888 68.868 0.034 0.000 0.612 2384 T HN 0.000 nan 8.240 nan 0.000 0.658