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 1s5l_1_d DATA FIRST_RESID 2014 DATA SEQUENCE WFDILDDWLK RDRFVFVGWS GILLFPCAYL ALGGWLTGTT FVTSWYTHGL DATA SEQUENCE ASSYLEGCNF LTVAVSTPAN SMGHSLLLLW GPEAQGDFTR WCQLGGLWTF DATA SEQUENCE IALHGAFGLI GFMLRQFEIA RLVGVRPYNA IAFSAPIAVF VSVFLIYPLG DATA SEQUENCE QSSWFFAPSF GVAAIFRFLL FFQGFHNWTL NPFHMMGVAG VLGGALLCAI DATA SEQUENCE HGATVENTLF QDGEGASTFR AFNPTQAEET YSMVTANRFW SQIFGIAFSN DATA SEQUENCE KRWLHFFMLF VPVTGLWMSA IGVVGLALNL RSYDFISQEI RAAEDPEFET DATA SEQUENCE FYTKNLLLNE GIRAWMAPQD QPHENFVFPE EVLPRGNAL 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 2014 W HA 0.000 nan 4.660 nan 0.000 0.303 2014 W C 0.000 176.596 176.519 0.129 0.000 1.175 2014 W CA 0.000 57.401 57.345 0.094 0.000 1.226 2014 W CB 0.000 29.515 29.460 0.092 0.000 1.126 2015 F N 3.310 122.850 119.950 -0.684 0.000 2.085 2015 F HA 0.115 4.653 4.527 0.019 0.000 0.284 2015 F C 2.436 178.091 175.800 -0.242 0.000 1.127 2015 F CA 2.491 60.078 58.000 -0.687 0.000 1.164 2015 F CB -0.782 37.783 39.000 -0.724 0.000 1.035 2015 F HN -0.309 nan 8.300 nan 0.000 0.481 2016 D N 0.856 121.218 120.400 -0.065 0.000 2.203 2016 D HA -0.225 4.427 4.640 0.019 0.000 0.199 2016 D C 2.325 178.518 176.300 -0.180 0.000 0.997 2016 D CA 1.713 55.653 54.000 -0.099 0.000 0.863 2016 D CB -0.245 40.594 40.800 0.066 0.000 0.928 2016 D HN 0.416 nan 8.370 nan 0.000 0.458 2017 I N 0.199 120.701 120.570 -0.113 0.000 2.091 2017 I HA -0.303 3.878 4.170 0.019 0.000 0.239 2017 I C 2.575 178.626 176.117 -0.111 0.000 1.061 2017 I CA 0.688 61.949 61.300 -0.065 0.000 1.317 2017 I CB -0.455 37.547 38.000 0.003 0.000 1.031 2017 I HN 0.081 nan 8.210 nan 0.000 0.401 2018 L N 1.126 122.230 121.223 -0.199 0.000 2.042 2018 L HA -0.283 4.068 4.340 0.019 0.000 0.210 2018 L C 2.233 178.858 176.870 -0.408 0.000 1.076 2018 L CA 1.992 56.701 54.840 -0.219 0.000 0.749 2018 L CB -0.961 40.929 42.059 -0.281 0.000 0.893 2018 L HN 0.309 nan 8.230 nan 0.000 0.432 2019 D N -0.438 119.588 120.400 -0.623 0.000 2.160 2019 D HA -0.266 4.385 4.640 0.019 0.000 0.189 2019 D C 1.619 177.649 176.300 -0.451 0.000 1.003 2019 D CA 2.089 55.664 54.000 -0.708 0.000 0.846 2019 D CB -0.040 40.473 40.800 -0.479 0.000 0.949 2019 D HN 0.487 nan 8.370 nan 0.000 0.446 2020 D N -0.748 119.488 120.400 -0.273 0.000 2.084 2020 D HA -0.139 4.512 4.640 0.019 0.000 0.196 2020 D C 1.943 178.123 176.300 -0.199 0.000 0.985 2020 D CA 0.592 54.467 54.000 -0.208 0.000 0.826 2020 D CB -0.697 40.028 40.800 -0.124 0.000 0.978 2020 D HN 0.388 nan 8.370 nan 0.000 0.456 2021 W N 2.021 123.183 121.300 -0.230 0.000 2.301 2021 W HA -0.271 4.400 4.660 0.019 0.000 0.325 2021 W C 2.280 178.668 176.519 -0.218 0.000 1.250 2021 W CA 1.468 58.700 57.345 -0.188 0.000 1.261 2021 W CB -0.785 28.584 29.460 -0.152 0.000 1.157 2021 W HN -0.043 nan 8.180 nan 0.000 0.473 2022 L N 1.660 122.802 121.223 -0.134 0.000 1.971 2022 L HA -0.221 4.131 4.340 0.019 0.000 0.215 2022 L C 2.122 178.735 176.870 -0.427 0.000 1.072 2022 L CA 2.383 57.055 54.840 -0.280 0.000 0.758 2022 L CB -0.994 40.884 42.059 -0.303 0.000 0.889 2022 L HN -0.027 nan 8.230 nan 0.000 0.433 2023 K N -0.304 119.834 120.400 -0.436 0.000 2.522 2023 K HA -0.020 4.312 4.320 0.019 0.000 0.194 2023 K C 0.403 176.582 176.600 -0.702 0.000 1.026 2023 K CA -0.210 55.770 56.287 -0.511 0.000 1.119 2023 K CB -0.283 32.014 32.500 -0.338 0.000 0.856 2023 K HN 0.245 nan 8.250 nan 0.000 0.513 2024 R N 2.346 122.483 120.500 -0.605 0.000 2.538 2024 R HA -0.057 4.294 4.340 0.019 0.000 0.282 2024 R C -0.793 175.157 176.300 -0.585 0.000 1.009 2024 R CA 0.127 55.907 56.100 -0.535 0.000 1.063 2024 R CB 0.364 30.336 30.300 -0.545 0.000 0.945 2024 R HN 0.031 nan 8.270 nan 0.000 0.414 2025 D N 6.005 126.126 120.400 -0.465 0.000 2.416 2025 D HA 0.064 4.716 4.640 0.019 0.000 0.240 2025 D C 0.243 176.399 176.300 -0.240 0.000 1.250 2025 D CA 0.374 54.139 54.000 -0.391 0.000 0.967 2025 D CB 0.487 41.123 40.800 -0.274 0.000 1.059 2025 D HN 0.443 nan 8.370 nan 0.000 0.512 2026 R N 0.600 120.966 120.500 -0.224 0.000 2.936 2026 R HA 0.364 4.715 4.340 0.019 0.000 0.218 2026 R C 1.107 177.411 176.300 0.006 0.000 1.528 2026 R CA -0.889 55.149 56.100 -0.104 0.000 1.005 2026 R CB 0.058 30.278 30.300 -0.132 0.000 2.099 2026 R HN 0.140 nan 8.270 nan 0.000 0.527 2027 F N 0.591 120.493 119.950 -0.080 0.000 2.128 2027 F HA 0.133 4.671 4.527 0.019 0.000 0.295 2027 F C 0.507 176.301 175.800 -0.010 0.000 1.100 2027 F CA 0.813 58.788 58.000 -0.042 0.000 1.260 2027 F CB 0.505 39.478 39.000 -0.044 0.000 1.009 2027 F HN -0.048 nan 8.300 nan 0.000 0.476 2028 V N 2.541 122.401 119.914 -0.090 0.000 2.293 2028 V HA 0.121 4.252 4.120 0.019 0.000 0.275 2028 V C -0.415 175.717 176.094 0.064 0.000 1.021 2028 V CA -0.929 61.300 62.300 -0.119 0.000 0.815 2028 V CB 0.449 32.219 31.823 -0.089 0.000 1.025 2028 V HN 0.170 nan 8.190 nan 0.000 0.448 2029 F N 5.618 125.509 119.950 -0.098 0.000 2.519 2029 F HA 0.154 4.692 4.527 0.019 0.000 0.381 2029 F C 0.315 176.131 175.800 0.027 0.000 1.076 2029 F CA -0.236 57.720 58.000 -0.073 0.000 1.095 2029 F CB 0.646 39.579 39.000 -0.111 0.000 1.046 2029 F HN 0.263 nan 8.300 nan 0.000 0.559 2030 V N 7.996 128.246 119.914 0.560 0.000 2.258 2030 V HA 0.262 4.393 4.120 0.019 0.000 0.258 2030 V C 0.908 177.242 176.094 0.400 0.000 1.121 2030 V CA -0.127 62.440 62.300 0.444 0.000 0.942 2030 V CB 0.091 32.055 31.823 0.235 0.000 1.170 2030 V HN 0.908 nan 8.190 nan 0.000 0.487 2031 G N 1.698 110.717 108.800 0.365 0.000 2.509 2031 G HA2 0.231 4.203 3.960 0.019 0.000 0.269 2031 G HA3 0.231 4.203 3.960 0.019 0.000 0.269 2031 G C 0.464 175.480 174.900 0.193 0.000 1.416 2031 G CA -0.547 44.769 45.100 0.359 0.000 1.052 2031 G HN 0.653 nan 8.290 nan 0.000 0.542 2032 W N -0.042 121.295 121.300 0.062 0.000 2.342 2032 W HA -0.164 4.507 4.660 0.018 0.000 0.297 2032 W C 3.100 179.612 176.519 -0.012 0.000 1.213 2032 W CA 1.395 58.754 57.345 0.023 0.000 1.251 2032 W CB 0.200 29.675 29.460 0.024 0.000 1.136 2032 W HN 0.541 nan 8.180 nan 0.000 0.526 2033 S N -0.715 115.110 115.700 0.208 0.000 2.453 2033 S HA -0.030 4.451 4.470 0.019 0.000 0.231 2033 S C 1.876 176.429 174.600 -0.078 0.000 1.005 2033 S CA 0.924 59.140 58.200 0.027 0.000 0.949 2033 S CB -0.983 62.169 63.200 -0.080 0.000 0.774 2033 S HN 0.262 nan 8.310 nan 0.000 0.510 2034 G N 1.924 110.681 108.800 -0.071 0.000 2.516 2034 G HA2 -0.090 3.882 3.960 0.019 0.000 0.221 2034 G HA3 -0.090 3.882 3.960 0.019 0.000 0.221 2034 G C 1.230 176.116 174.900 -0.023 0.000 1.107 2034 G CA 0.933 45.921 45.100 -0.187 0.000 0.747 2034 G HN 0.629 nan 8.290 nan 0.000 0.567 2035 I N -0.379 120.248 120.570 0.094 0.000 2.584 2035 I HA 0.042 4.223 4.170 0.019 0.000 0.255 2035 I C 2.481 178.644 176.117 0.077 0.000 1.145 2035 I CA 0.271 61.655 61.300 0.140 0.000 1.462 2035 I CB -0.066 38.042 38.000 0.180 0.000 1.102 2035 I HN 0.132 nan 8.210 nan 0.000 0.433 2036 L N -0.178 121.056 121.223 0.018 0.000 2.034 2036 L HA -0.137 4.214 4.340 0.019 0.000 0.203 2036 L C 2.513 179.386 176.870 0.005 0.000 1.074 2036 L CA 0.697 55.542 54.840 0.007 0.000 0.748 2036 L CB -0.625 41.439 42.059 0.008 0.000 0.905 2036 L HN 0.179 nan 8.230 nan 0.000 0.439 2037 L N 0.166 121.327 121.223 -0.104 0.000 1.965 2037 L HA -0.305 4.046 4.340 0.019 0.000 0.226 2037 L C 2.431 179.278 176.870 -0.038 0.000 1.083 2037 L CA 2.212 56.947 54.840 -0.175 0.000 0.790 2037 L CB -0.730 41.024 42.059 -0.509 0.000 0.898 2037 L HN 0.038 nan 8.230 nan 0.000 0.439 2038 F N -0.892 119.110 119.950 0.086 0.000 2.134 2038 F HA -0.147 4.391 4.527 0.018 0.000 0.299 2038 F C -0.053 175.829 175.800 0.136 0.000 1.097 2038 F CA 0.885 58.940 58.000 0.092 0.000 1.264 2038 F CB -1.801 37.232 39.000 0.054 0.000 1.001 2038 F HN 0.239 nan 8.300 nan 0.000 0.479 2039 P HA -0.088 nan 4.420 nan 0.000 0.217 2039 P C 1.218 178.674 177.300 0.260 0.000 1.151 2039 P CA 1.387 64.651 63.100 0.273 0.000 0.828 2039 P CB -0.095 31.727 31.700 0.203 0.000 0.788 2040 C N -0.922 118.508 119.300 0.218 0.000 2.505 2040 C HA 0.208 4.679 4.460 0.019 0.000 0.279 2040 C C 2.786 177.862 174.990 0.144 0.000 1.316 2040 C CA 0.742 59.880 59.018 0.199 0.000 1.720 2040 C CB -1.666 26.184 27.740 0.184 0.000 2.050 2040 C HN 0.195 nan 8.230 nan 0.000 0.493 2041 A N -0.958 121.958 122.820 0.161 0.000 2.168 2041 A HA -0.102 4.229 4.320 0.019 0.000 0.215 2041 A C 1.858 179.562 177.584 0.200 0.000 1.152 2041 A CA 1.123 53.241 52.037 0.134 0.000 0.716 2041 A CB -0.625 18.468 19.000 0.154 0.000 0.794 2041 A HN 0.688 nan 8.150 nan 0.000 0.465 2042 Y N 0.011 120.378 120.300 0.112 0.000 2.262 2042 Y HA 0.134 4.695 4.550 0.019 0.000 0.295 2042 Y C 1.763 177.714 175.900 0.084 0.000 1.121 2042 Y CA 1.034 59.195 58.100 0.102 0.000 1.144 2042 Y CB -0.258 38.270 38.460 0.113 0.000 1.043 2042 Y HN 0.158 nan 8.280 nan 0.000 0.528 2043 L N -0.012 121.200 121.223 -0.019 0.000 2.141 2043 L HA -0.134 4.217 4.340 0.019 0.000 0.209 2043 L C 2.619 179.478 176.870 -0.019 0.000 1.094 2043 L CA 1.152 55.924 54.840 -0.114 0.000 0.763 2043 L CB -0.926 40.995 42.059 -0.230 0.000 0.908 2043 L HN 0.322 nan 8.230 nan 0.000 0.437 2044 A N -0.301 122.493 122.820 -0.043 0.000 2.067 2044 A HA -0.160 4.171 4.320 0.019 0.000 0.219 2044 A C 2.155 179.718 177.584 -0.036 0.000 1.158 2044 A CA 1.229 53.236 52.037 -0.051 0.000 0.661 2044 A CB -0.307 18.628 19.000 -0.107 0.000 0.801 2044 A HN 0.325 nan 8.150 nan 0.000 0.452 2045 L N -0.672 120.545 121.223 -0.010 0.000 2.084 2045 L HA 0.210 4.561 4.340 0.019 0.000 0.202 2045 L C 2.422 179.327 176.870 0.058 0.000 1.074 2045 L CA 2.022 56.894 54.840 0.052 0.000 0.757 2045 L CB -1.049 41.053 42.059 0.073 0.000 0.918 2045 L HN 0.259 nan 8.230 nan 0.000 0.444 2046 G N -0.828 107.910 108.800 -0.103 0.000 2.440 2046 G HA2 -0.229 3.743 3.960 0.019 0.000 0.218 2046 G HA3 -0.229 3.743 3.960 0.019 0.000 0.218 2046 G C 1.537 176.416 174.900 -0.035 0.000 1.154 2046 G CA 0.634 45.652 45.100 -0.136 0.000 0.767 2046 G HN 0.584 nan 8.290 nan 0.000 0.552 2047 G N -0.001 108.818 108.800 0.033 0.000 2.513 2047 G HA2 -0.296 3.675 3.960 0.019 0.000 0.219 2047 G HA3 -0.296 3.675 3.960 0.019 0.000 0.219 2047 G C 1.526 176.468 174.900 0.070 0.000 1.160 2047 G CA 1.192 46.316 45.100 0.040 0.000 0.767 2047 G HN 0.470 nan 8.290 nan 0.000 0.571 2048 W N 1.231 122.473 121.300 -0.097 0.000 2.376 2048 W HA 0.039 4.711 4.660 0.019 0.000 0.324 2048 W C 2.452 178.956 176.519 -0.025 0.000 1.191 2048 W CA 1.354 58.649 57.345 -0.083 0.000 1.282 2048 W CB -0.933 28.454 29.460 -0.121 0.000 1.185 2048 W HN 0.117 nan 8.180 nan 0.000 0.458 2049 L N 0.402 121.501 121.223 -0.206 0.000 2.151 2049 L HA -0.356 3.995 4.340 0.019 0.000 0.215 2049 L C 2.352 179.028 176.870 -0.322 0.000 1.084 2049 L CA 2.044 56.615 54.840 -0.448 0.000 0.764 2049 L CB -1.297 40.655 42.059 -0.179 0.000 0.891 2049 L HN 0.112 nan 8.230 nan 0.000 0.435 2050 T N -0.865 113.600 114.554 -0.148 0.000 2.732 2050 T HA -0.080 4.282 4.350 0.019 0.000 0.261 2050 T C 1.757 176.458 174.700 0.000 0.000 1.040 2050 T CA 1.324 63.416 62.100 -0.015 0.000 1.145 2050 T CB -0.397 68.488 68.868 0.027 0.000 0.866 2050 T HN 0.555 nan 8.240 nan 0.000 0.427 2051 G N 0.671 109.442 108.800 -0.048 0.000 2.402 2051 G HA2 -0.190 3.781 3.960 0.019 0.000 0.216 2051 G HA3 -0.190 3.781 3.960 0.019 0.000 0.216 2051 G C 1.737 176.596 174.900 -0.070 0.000 1.162 2051 G CA 1.396 46.484 45.100 -0.020 0.000 0.777 2051 G HN 0.415 nan 8.290 nan 0.000 0.539 2052 T N 0.885 115.308 114.554 -0.218 0.000 2.653 2052 T HA -0.159 4.202 4.350 0.019 0.000 0.268 2052 T C 2.575 177.255 174.700 -0.034 0.000 1.035 2052 T CA 2.027 63.992 62.100 -0.226 0.000 1.154 2052 T CB -0.409 68.027 68.868 -0.720 0.000 0.862 2052 T HN 0.338 nan 8.240 nan 0.000 0.441 2053 T N -0.023 114.337 114.554 -0.323 0.000 3.035 2053 T HA 0.183 4.545 4.350 0.019 0.000 0.259 2053 T C 1.139 175.393 174.700 -0.745 0.000 1.078 2053 T CA 0.629 62.315 62.100 -0.690 0.000 1.132 2053 T CB -0.091 68.117 68.868 -1.100 0.000 0.900 2053 T HN 0.402 nan 8.240 nan 0.000 0.480 2054 F N 0.355 120.276 119.950 -0.049 0.000 2.767 2054 F HA 0.359 4.898 4.527 0.019 0.000 0.323 2054 F C 0.213 176.013 175.800 0.001 0.000 1.091 2054 F CA -0.473 57.516 58.000 -0.018 0.000 1.192 2054 F CB 0.984 39.967 39.000 -0.029 0.000 1.056 2054 F HN -0.147 nan 8.300 nan 0.000 0.571 2055 V N -0.307 119.687 119.914 0.132 0.000 2.769 2055 V HA 0.467 4.598 4.120 0.019 0.000 0.312 2055 V C 0.041 176.169 176.094 0.056 0.000 1.058 2055 V CA -0.755 61.596 62.300 0.084 0.000 0.952 2055 V CB 1.870 33.715 31.823 0.037 0.000 1.019 2055 V HN -0.032 nan 8.190 nan 0.000 0.445 2056 T N 1.157 115.743 114.554 0.054 0.000 2.855 2056 T HA 0.473 4.834 4.350 0.019 0.000 0.281 2056 T C 0.163 174.921 174.700 0.098 0.000 1.007 2056 T CA -0.103 62.048 62.100 0.085 0.000 1.009 2056 T CB 1.277 70.228 68.868 0.139 0.000 0.983 2056 T HN 0.936 nan 8.240 nan 0.000 0.455 2057 S N 4.259 120.034 115.700 0.125 0.000 2.384 2057 S HA 0.198 4.679 4.470 0.019 0.000 0.227 2057 S C 0.513 175.259 174.600 0.244 0.000 1.257 2057 S CA -0.942 57.324 58.200 0.109 0.000 1.249 2057 S CB -0.251 62.931 63.200 -0.029 0.000 1.018 2057 S HN 0.895 nan 8.310 nan 0.000 0.478 2058 W N 0.391 121.766 121.300 0.125 0.000 3.127 2058 W HA 0.372 5.043 4.660 0.019 0.000 0.344 2058 W C -0.754 175.879 176.519 0.189 0.000 1.151 2058 W CA -0.577 56.851 57.345 0.139 0.000 1.765 2058 W CB -0.412 29.119 29.460 0.119 0.000 1.085 2058 W HN 0.400 nan 8.180 nan 0.000 0.596 2059 Y N 1.447 121.618 120.300 -0.215 0.000 2.448 2059 Y HA 0.031 4.592 4.550 0.019 0.000 0.289 2059 Y C 2.727 178.497 175.900 -0.217 0.000 1.114 2059 Y CA 2.060 59.955 58.100 -0.342 0.000 1.235 2059 Y CB -0.580 37.761 38.460 -0.198 0.000 1.045 2059 Y HN -0.034 nan 8.280 nan 0.000 0.554 2060 T N -2.771 111.796 114.554 0.021 0.000 3.034 2060 T HA 0.021 4.383 4.350 0.019 0.000 0.248 2060 T C 1.107 175.723 174.700 -0.140 0.000 1.040 2060 T CA 0.932 62.998 62.100 -0.057 0.000 1.107 2060 T CB 0.058 68.905 68.868 -0.035 0.000 0.932 2060 T HN 0.286 nan 8.240 nan 0.000 0.474 2061 H N -1.166 117.804 119.070 -0.167 0.000 3.017 2061 H HA 0.419 4.986 4.556 0.019 0.000 0.255 2061 H C 1.576 176.889 175.328 -0.025 0.000 0.990 2061 H CA 0.672 56.602 56.048 -0.198 0.000 1.205 2061 H CB 0.953 30.570 29.762 -0.243 0.000 1.460 2061 H HN 0.415 nan 8.280 nan 0.000 0.478 2062 G N 0.175 109.101 108.800 0.209 0.000 2.217 2062 G HA2 -0.250 3.721 3.960 0.019 0.000 0.246 2062 G HA3 -0.250 3.721 3.960 0.019 0.000 0.246 2062 G C 0.189 175.349 174.900 0.432 0.000 0.990 2062 G CA 0.470 45.772 45.100 0.336 0.000 0.627 2062 G HN 0.230 nan 8.290 nan 0.000 0.522 2063 L N 0.189 121.594 121.223 0.303 0.000 2.578 2063 L HA 0.835 5.186 4.340 0.019 0.000 0.259 2063 L C 0.948 177.895 176.870 0.128 0.000 1.082 2063 L CA -0.720 54.223 54.840 0.172 0.000 0.843 2063 L CB 1.264 43.383 42.059 0.099 0.000 1.535 2063 L HN 0.256 nan 8.230 nan 0.000 0.510 2064 A N -0.100 122.733 122.820 0.021 0.000 2.260 2064 A HA 0.387 4.718 4.320 0.019 0.000 0.308 2064 A C 0.620 178.197 177.584 -0.011 0.000 1.254 2064 A CA -0.155 51.870 52.037 -0.021 0.000 0.874 2064 A CB 1.207 20.165 19.000 -0.071 0.000 1.153 2064 A HN 0.703 nan 8.150 nan 0.000 0.527 2065 S N 2.133 117.837 115.700 0.008 0.000 2.356 2065 S HA -0.003 4.478 4.470 0.019 0.000 0.219 2065 S C 1.449 176.043 174.600 -0.010 0.000 1.036 2065 S CA 1.431 59.630 58.200 -0.002 0.000 0.965 2065 S CB -0.343 62.865 63.200 0.014 0.000 0.864 2065 S HN 1.276 nan 8.310 nan 0.000 0.471 2066 S N -1.136 114.564 115.700 0.000 0.000 2.618 2066 S HA 0.470 4.952 4.470 0.019 0.000 0.284 2066 S C 0.538 175.124 174.600 -0.022 0.000 1.102 2066 S CA -0.452 57.759 58.200 0.019 0.000 0.984 2066 S CB -0.372 62.866 63.200 0.063 0.000 1.280 2066 S HN 0.356 nan 8.310 nan 0.000 0.525 2067 Y N -0.210 120.007 120.300 -0.137 0.000 2.448 2067 Y HA 0.268 4.829 4.550 0.019 0.000 0.289 2067 Y C 2.109 177.944 175.900 -0.108 0.000 1.114 2067 Y CA 0.073 58.094 58.100 -0.132 0.000 1.235 2067 Y CB -0.573 37.763 38.460 -0.207 0.000 1.045 2067 Y HN 0.465 nan 8.280 nan 0.000 0.554 2068 L N 0.643 121.911 121.223 0.074 0.000 2.187 2068 L HA -0.202 4.149 4.340 0.019 0.000 0.213 2068 L C 1.526 178.420 176.870 0.040 0.000 1.100 2068 L CA 1.946 56.824 54.840 0.063 0.000 0.765 2068 L CB -0.319 41.807 42.059 0.111 0.000 0.904 2068 L HN 0.246 nan 8.230 nan 0.000 0.437 2069 E N -1.590 118.618 120.200 0.013 0.000 2.452 2069 E HA 0.277 4.639 4.350 0.019 0.000 0.197 2069 E C 1.174 177.753 176.600 -0.034 0.000 1.022 2069 E CA 0.529 56.915 56.400 -0.022 0.000 0.890 2069 E CB 0.259 29.928 29.700 -0.050 0.000 0.918 2069 E HN 0.444 nan 8.360 nan 0.000 0.496 2070 G N 1.357 110.141 108.800 -0.027 0.000 2.131 2070 G HA2 -0.242 3.729 3.960 0.019 0.000 0.201 2070 G HA3 -0.242 3.729 3.960 0.019 0.000 0.201 2070 G C 0.296 175.140 174.900 -0.093 0.000 1.000 2070 G CA -0.282 44.793 45.100 -0.042 0.000 0.680 2070 G HN 0.271 nan 8.290 nan 0.000 0.514 2071 C N 0.752 119.962 119.300 -0.150 0.000 2.649 2071 C HA 0.571 5.042 4.460 0.019 0.000 0.377 2071 C C 1.233 176.069 174.990 -0.257 0.000 1.321 2071 C CA -0.016 58.895 59.018 -0.177 0.000 2.368 2071 C CB 0.103 27.737 27.740 -0.176 0.000 2.597 2071 C HN 0.900 nan 8.230 nan 0.000 0.678 2072 N N 0.183 118.781 118.700 -0.171 0.000 2.408 2072 N HA 0.221 4.972 4.740 0.019 0.000 0.260 2072 N C 0.625 176.042 175.510 -0.155 0.000 1.242 2072 N CA -0.595 52.381 53.050 -0.124 0.000 0.959 2072 N CB 0.132 38.598 38.487 -0.035 0.000 1.201 2072 N HN 0.580 nan 8.380 nan 0.000 0.511 2073 F N 0.414 120.243 119.950 -0.200 0.000 2.063 2073 F HA -0.227 4.311 4.527 0.018 0.000 0.298 2073 F C 1.370 177.154 175.800 -0.027 0.000 1.109 2073 F CA 1.529 59.459 58.000 -0.117 0.000 1.212 2073 F CB -0.841 38.184 39.000 0.041 0.000 0.973 2073 F HN 0.481 nan 8.300 nan 0.000 0.480 2074 L N -0.110 120.886 121.223 -0.378 0.000 1.971 2074 L HA -0.298 4.054 4.340 0.019 0.000 0.215 2074 L C 2.451 179.206 176.870 -0.192 0.000 1.072 2074 L CA 2.229 56.799 54.840 -0.450 0.000 0.758 2074 L CB -1.671 40.267 42.059 -0.203 0.000 0.889 2074 L HN 0.198 nan 8.230 nan 0.000 0.433 2075 T N -0.345 114.139 114.554 -0.116 0.000 2.684 2075 T HA -0.088 4.273 4.350 0.019 0.000 0.267 2075 T C 0.954 175.615 174.700 -0.066 0.000 1.036 2075 T CA 0.499 62.556 62.100 -0.072 0.000 1.148 2075 T CB -0.290 68.532 68.868 -0.078 0.000 0.863 2075 T HN -0.031 nan 8.240 nan 0.000 0.436 2076 V N 1.919 121.765 119.914 -0.112 0.000 2.694 2076 V HA 0.452 4.583 4.120 0.019 0.000 0.306 2076 V C 0.378 176.518 176.094 0.077 0.000 1.054 2076 V CA 0.205 62.459 62.300 -0.077 0.000 1.161 2076 V CB 0.181 31.866 31.823 -0.230 0.000 0.916 2076 V HN 0.653 nan 8.190 nan 0.000 0.490 2077 A N 4.215 127.096 122.820 0.101 0.000 2.511 2077 A HA 0.741 5.072 4.320 0.019 0.000 0.293 2077 A C -1.310 176.387 177.584 0.189 0.000 1.098 2077 A CA -0.506 51.673 52.037 0.237 0.000 0.643 2077 A CB 1.496 20.597 19.000 0.169 0.000 1.302 2077 A HN 0.545 nan 8.150 nan 0.000 0.446 2078 V N 2.163 122.266 119.914 0.315 0.000 2.294 2078 V HA 0.435 4.566 4.120 0.019 0.000 0.272 2078 V C 0.214 176.417 176.094 0.181 0.000 1.027 2078 V CA -0.297 62.162 62.300 0.265 0.000 0.823 2078 V CB 0.735 32.824 31.823 0.443 0.000 1.030 2078 V HN 0.782 nan 8.190 nan 0.000 0.457 2079 S N 3.290 118.961 115.700 -0.049 0.000 2.580 2079 S HA 0.321 4.803 4.470 0.019 0.000 0.274 2079 S C 0.618 175.048 174.600 -0.284 0.000 1.329 2079 S CA -0.419 57.577 58.200 -0.340 0.000 1.036 2079 S CB 0.977 63.779 63.200 -0.664 0.000 0.919 2079 S HN 0.769 nan 8.310 nan 0.000 0.515 2080 T N 4.735 119.001 114.554 -0.481 0.000 2.903 2080 T HA 0.173 4.534 4.350 0.019 0.000 0.314 2080 T C -2.089 172.431 174.700 -0.300 0.000 1.078 2080 T CA -0.705 61.073 62.100 -0.537 0.000 1.114 2080 T CB -0.011 68.419 68.868 -0.730 0.000 0.987 2080 T HN 0.346 nan 8.240 nan 0.000 0.548 2081 P HA 0.199 nan 4.420 nan 0.000 0.272 2081 P C -0.939 176.265 177.300 -0.160 0.000 1.248 2081 P CA -0.280 62.743 63.100 -0.128 0.000 0.799 2081 P CB 0.314 32.005 31.700 -0.016 0.000 0.997 2082 A N 0.802 123.575 122.820 -0.078 0.000 2.354 2082 A HA 0.117 4.448 4.320 0.019 0.000 0.269 2082 A C 1.468 179.108 177.584 0.093 0.000 1.109 2082 A CA -0.380 51.624 52.037 -0.054 0.000 0.800 2082 A CB -0.636 18.341 19.000 -0.039 0.000 1.045 2082 A HN 0.716 nan 8.150 nan 0.000 0.489 2083 N N 1.364 120.193 118.700 0.215 0.000 2.334 2083 N HA -0.200 4.551 4.740 0.019 0.000 0.187 2083 N C 1.505 177.122 175.510 0.177 0.000 1.016 2083 N CA 1.579 54.784 53.050 0.258 0.000 0.879 2083 N CB 0.053 38.791 38.487 0.417 0.000 0.965 2083 N HN 0.735 nan 8.380 nan 0.000 0.438 2084 S N -0.225 115.550 115.700 0.126 0.000 2.515 2084 S HA -0.013 4.469 4.470 0.019 0.000 0.231 2084 S C 1.669 176.319 174.600 0.084 0.000 0.987 2084 S CA 0.420 58.671 58.200 0.086 0.000 0.936 2084 S CB -0.120 63.112 63.200 0.053 0.000 0.766 2084 S HN 0.375 nan 8.310 nan 0.000 0.528 2085 M N 0.899 120.565 119.600 0.109 0.000 2.441 2085 M HA 0.285 4.776 4.480 0.019 0.000 0.244 2085 M C 1.761 178.157 176.300 0.160 0.000 1.122 2085 M CA 0.386 55.763 55.300 0.129 0.000 1.041 2085 M CB -0.293 32.393 32.600 0.143 0.000 1.438 2085 M HN 0.530 nan 8.290 nan 0.000 0.484 2086 G N 1.917 110.809 108.800 0.152 0.000 2.596 2086 G HA2 -0.312 3.659 3.960 0.019 0.000 0.304 2086 G HA3 -0.312 3.659 3.960 0.019 0.000 0.304 2086 G C 0.281 175.249 174.900 0.114 0.000 1.189 2086 G CA 0.608 45.829 45.100 0.201 0.000 0.986 2086 G HN 0.710 nan 8.290 nan 0.000 0.548 2087 H N 0.642 119.558 119.070 -0.256 0.000 2.674 2087 H HA 0.383 4.950 4.556 0.019 0.000 0.274 2087 H C 0.545 176.057 175.328 0.306 0.000 1.121 2087 H CA 0.145 55.930 56.048 -0.439 0.000 1.132 2087 H CB 0.322 29.746 29.762 -0.563 0.000 1.606 2087 H HN 0.324 nan 8.280 nan 0.000 0.558 2088 S N 2.534 118.468 115.700 0.391 0.000 2.555 2088 S HA 0.020 4.501 4.470 0.019 0.000 0.293 2088 S C 0.603 175.460 174.600 0.429 0.000 1.248 2088 S CA -0.143 58.254 58.200 0.329 0.000 1.096 2088 S CB 0.253 63.580 63.200 0.212 0.000 0.881 2088 S HN 0.287 nan 8.310 nan 0.000 0.498 2089 L N 4.223 125.655 121.223 0.350 0.000 2.454 2089 L HA 0.197 4.548 4.340 0.019 0.000 0.284 2089 L C 0.131 177.075 176.870 0.123 0.000 1.139 2089 L CA -0.066 54.918 54.840 0.240 0.000 0.911 2089 L CB -0.445 41.726 42.059 0.187 0.000 1.262 2089 L HN 0.500 nan 8.230 nan 0.000 0.453 2090 L N 5.794 127.083 121.223 0.109 0.000 2.356 2090 L HA 0.292 4.643 4.340 0.019 0.000 0.282 2090 L C 0.245 177.252 176.870 0.229 0.000 1.132 2090 L CA -0.176 54.723 54.840 0.099 0.000 0.923 2090 L CB 0.044 42.151 42.059 0.079 0.000 1.278 2090 L HN 0.552 nan 8.230 nan 0.000 0.436 2091 L N 1.419 122.675 121.223 0.055 0.000 2.456 2091 L HA 0.120 4.472 4.340 0.019 0.000 0.257 2091 L C 1.468 178.272 176.870 -0.110 0.000 1.162 2091 L CA -0.884 53.938 54.840 -0.029 0.000 0.808 2091 L CB 0.337 41.871 42.059 -0.874 0.000 1.136 2091 L HN 0.349 nan 8.230 nan 0.000 0.466 2092 L N 1.568 122.508 121.223 -0.472 0.000 2.054 2092 L HA -0.227 4.125 4.340 0.019 0.000 0.220 2092 L C 1.839 178.701 176.870 -0.013 0.000 1.081 2092 L CA 2.163 56.678 54.840 -0.542 0.000 0.780 2092 L CB -0.605 41.246 42.059 -0.347 0.000 0.893 2092 L HN 0.844 nan 8.230 nan 0.000 0.438 2093 W N -0.724 120.574 121.300 -0.004 0.000 3.400 2093 W HA 0.544 5.215 4.660 0.019 0.000 0.347 2093 W C 0.896 177.470 176.519 0.091 0.000 1.218 2093 W CA -0.530 56.840 57.345 0.041 0.000 1.837 2093 W CB -1.459 28.019 29.460 0.031 0.000 1.067 2093 W HN 0.155 nan 8.180 nan 0.000 0.701 2094 G N 2.979 111.687 108.800 -0.153 0.000 2.365 2094 G HA2 0.130 4.101 3.960 0.019 0.000 0.249 2094 G HA3 0.130 4.101 3.960 0.019 0.000 0.249 2094 G C -0.736 174.200 174.900 0.060 0.000 1.288 2094 G CA -0.841 44.212 45.100 -0.077 0.000 0.887 2094 G HN 0.024 nan 8.290 nan 0.000 0.524 2095 P HA -0.230 nan 4.420 nan 0.000 0.219 2095 P C 1.001 178.353 177.300 0.086 0.000 1.145 2095 P CA 1.457 64.611 63.100 0.089 0.000 0.813 2095 P CB 0.480 32.229 31.700 0.082 0.000 0.771 2096 E N -0.447 119.806 120.200 0.087 0.000 2.127 2096 E HA 0.048 4.410 4.350 0.019 0.000 0.191 2096 E C 2.175 178.837 176.600 0.104 0.000 0.964 2096 E CA 0.610 57.063 56.400 0.087 0.000 0.832 2096 E CB -0.294 29.456 29.700 0.082 0.000 0.790 2096 E HN 0.098 nan 8.360 nan 0.000 0.465 2097 A N 0.449 123.353 122.820 0.140 0.000 1.968 2097 A HA -0.113 4.219 4.320 0.019 0.000 0.217 2097 A C 0.926 178.602 177.584 0.154 0.000 1.169 2097 A CA 1.158 53.306 52.037 0.185 0.000 0.638 2097 A CB -0.164 19.047 19.000 0.352 0.000 0.812 2097 A HN 0.395 nan 8.150 nan 0.000 0.446 2098 Q N -3.001 116.881 119.800 0.137 0.000 2.502 2098 Q HA -0.245 4.106 4.340 0.019 0.000 0.273 2098 Q C 0.887 176.964 176.000 0.128 0.000 1.127 2098 Q CA 0.603 56.480 55.803 0.123 0.000 0.952 2098 Q CB -2.432 26.367 28.738 0.102 0.000 1.333 2098 Q HN 1.765 nan 8.270 nan 0.000 0.494 2099 G N 0.379 109.263 108.800 0.140 0.000 2.245 2099 G HA2 -0.339 3.633 3.960 0.019 0.000 0.264 2099 G HA3 -0.339 3.633 3.960 0.019 0.000 0.264 2099 G C -0.090 174.884 174.900 0.123 0.000 0.985 2099 G CA 0.297 45.472 45.100 0.125 0.000 0.625 2099 G HN 0.503 nan 8.290 nan 0.000 0.536 2100 D N 0.370 120.857 120.400 0.145 0.000 2.416 2100 D HA 0.289 4.940 4.640 0.019 0.000 0.240 2100 D C 1.359 177.805 176.300 0.245 0.000 1.250 2100 D CA -0.378 53.722 54.000 0.167 0.000 0.967 2100 D CB -0.382 40.502 40.800 0.139 0.000 1.059 2100 D HN 0.181 nan 8.370 nan 0.000 0.512 2101 F N 3.283 123.280 119.950 0.078 0.000 2.041 2101 F HA -0.409 4.129 4.527 0.019 0.000 0.296 2101 F C 2.205 178.128 175.800 0.205 0.000 1.147 2101 F CA 2.516 60.589 58.000 0.121 0.000 1.214 2101 F CB -0.650 38.370 39.000 0.033 0.000 0.947 2101 F HN 0.302 nan 8.300 nan 0.000 0.511 2102 T N 0.730 115.603 114.554 0.532 0.000 2.635 2102 T HA -0.366 3.995 4.350 0.019 0.000 0.265 2102 T C 1.933 176.702 174.700 0.114 0.000 1.058 2102 T CA 2.405 64.687 62.100 0.304 0.000 1.162 2102 T CB -0.482 68.507 68.868 0.202 0.000 0.859 2102 T HN 0.337 nan 8.240 nan 0.000 0.449 2103 R N -0.927 119.645 120.500 0.120 0.000 2.075 2103 R HA -0.060 4.292 4.340 0.019 0.000 0.232 2103 R C 2.239 178.573 176.300 0.057 0.000 1.126 2103 R CA 1.443 57.584 56.100 0.069 0.000 0.963 2103 R CB -0.457 29.898 30.300 0.092 0.000 0.858 2103 R HN 0.493 nan 8.270 nan 0.000 0.435 2104 W N 1.018 122.257 121.300 -0.102 0.000 2.336 2104 W HA -0.295 4.376 4.660 0.019 0.000 0.277 2104 W C 1.577 177.961 176.519 -0.225 0.000 1.211 2104 W CA 1.066 58.319 57.345 -0.153 0.000 1.187 2104 W CB -0.098 29.246 29.460 -0.193 0.000 1.132 2104 W HN 0.103 nan 8.180 nan 0.000 0.562 2105 C N -1.039 118.135 119.300 -0.210 0.000 2.519 2105 C HA -0.041 4.430 4.460 0.019 0.000 0.281 2105 C C 2.498 177.355 174.990 -0.221 0.000 1.331 2105 C CA 0.841 59.668 59.018 -0.319 0.000 1.725 2105 C CB -1.116 26.501 27.740 -0.204 0.000 2.079 2105 C HN 0.363 nan 8.230 nan 0.000 0.496 2106 Q N 1.009 120.725 119.800 -0.140 0.000 2.112 2106 Q HA -0.137 4.215 4.340 0.019 0.000 0.206 2106 Q C 1.938 177.885 176.000 -0.089 0.000 0.987 2106 Q CA 1.339 57.066 55.803 -0.126 0.000 0.858 2106 Q CB -0.272 28.379 28.738 -0.146 0.000 0.905 2106 Q HN 0.676 nan 8.270 nan 0.000 0.420 2107 L N -1.006 120.151 121.223 -0.110 0.000 2.552 2107 L HA 0.059 4.410 4.340 0.019 0.000 0.227 2107 L C 1.246 178.018 176.870 -0.164 0.000 1.146 2107 L CA 0.620 55.398 54.840 -0.102 0.000 0.858 2107 L CB -0.289 41.718 42.059 -0.087 0.000 0.969 2107 L HN 0.501 nan 8.230 nan 0.000 0.451 2108 G N -0.342 108.312 108.800 -0.242 0.000 2.157 2108 G HA2 -0.250 3.722 3.960 0.019 0.000 0.239 2108 G HA3 -0.250 3.722 3.960 0.019 0.000 0.239 2108 G C 0.926 175.595 174.900 -0.386 0.000 0.982 2108 G CA 0.052 45.006 45.100 -0.244 0.000 0.650 2108 G HN 0.433 nan 8.290 nan 0.000 0.527 2109 G N 0.108 108.479 108.800 -0.715 0.000 2.621 2109 G HA2 0.011 3.982 3.960 0.019 0.000 0.215 2109 G HA3 0.011 3.982 3.960 0.019 0.000 0.215 2109 G C 1.640 175.924 174.900 -1.027 0.000 1.127 2109 G CA 1.243 45.678 45.100 -1.108 0.000 0.747 2109 G HN 0.627 nan 8.290 nan 0.000 0.561 2110 L N -1.889 118.929 121.223 -0.675 0.000 2.034 2110 L HA 0.053 4.404 4.340 0.019 0.000 0.203 2110 L C 2.538 179.439 176.870 0.052 0.000 1.074 2110 L CA 0.981 55.632 54.840 -0.316 0.000 0.748 2110 L CB -0.435 41.498 42.059 -0.210 0.000 0.905 2110 L HN 0.383 nan 8.230 nan 0.000 0.439 2111 W N 1.178 122.440 121.300 -0.064 0.000 2.283 2111 W HA -0.351 4.320 4.660 0.018 0.000 0.335 2111 W C 2.673 179.211 176.519 0.032 0.000 1.313 2111 W CA 2.885 60.280 57.345 0.083 0.000 1.263 2111 W CB -0.724 28.705 29.460 -0.053 0.000 1.141 2111 W HN 0.088 nan 8.180 nan 0.000 0.468 2112 T N 0.648 115.256 114.554 0.091 0.000 2.685 2112 T HA -0.342 4.019 4.350 0.019 0.000 0.268 2112 T C 1.416 176.132 174.700 0.026 0.000 1.034 2112 T CA 1.673 63.714 62.100 -0.098 0.000 1.149 2112 T CB -1.059 67.752 68.868 -0.095 0.000 0.860 2112 T HN 0.214 nan 8.240 nan 0.000 0.449 2113 F N 1.840 121.800 119.950 0.018 0.000 2.008 2113 F HA -0.188 4.350 4.527 0.018 0.000 0.297 2113 F C 2.129 178.007 175.800 0.130 0.000 1.156 2113 F CA 1.440 59.559 58.000 0.198 0.000 1.191 2113 F CB -0.614 38.506 39.000 0.200 0.000 0.955 2113 F HN 0.065 nan 8.300 nan 0.000 0.497 2114 I N 0.425 121.138 120.570 0.239 0.000 2.145 2114 I HA -0.398 3.783 4.170 0.019 0.000 0.244 2114 I C 2.646 178.621 176.117 -0.237 0.000 1.075 2114 I CA 1.531 62.783 61.300 -0.079 0.000 1.332 2114 I CB -1.281 36.518 38.000 -0.336 0.000 1.033 2114 I HN 0.321 nan 8.210 nan 0.000 0.410 2115 A N 1.071 123.706 122.820 -0.310 0.000 1.902 2115 A HA -0.107 4.224 4.320 0.019 0.000 0.217 2115 A C 2.332 179.829 177.584 -0.145 0.000 1.181 2115 A CA 1.408 53.268 52.037 -0.296 0.000 0.623 2115 A CB -0.722 17.856 19.000 -0.703 0.000 0.818 2115 A HN 0.380 nan 8.150 nan 0.000 0.443 2116 L N -1.888 119.260 121.223 -0.125 0.000 1.993 2116 L HA -0.142 4.209 4.340 0.019 0.000 0.206 2116 L C 2.631 179.508 176.870 0.010 0.000 1.074 2116 L CA 1.801 56.605 54.840 -0.060 0.000 0.746 2116 L CB -1.187 40.856 42.059 -0.027 0.000 0.896 2116 L HN 0.429 nan 8.230 nan 0.000 0.435 2117 H N 0.083 119.113 119.070 -0.068 0.000 2.289 2117 H HA -0.156 4.411 4.556 0.019 0.000 0.296 2117 H C 2.235 177.540 175.328 -0.038 0.000 1.091 2117 H CA 1.809 57.828 56.048 -0.048 0.000 1.274 2117 H CB -0.673 28.920 29.762 -0.282 0.000 1.364 2117 H HN 0.368 nan 8.280 nan 0.000 0.490 2118 G N -0.288 108.496 108.800 -0.026 0.000 2.479 2118 G HA2 -0.223 3.748 3.960 0.019 0.000 0.220 2118 G HA3 -0.223 3.748 3.960 0.019 0.000 0.220 2118 G C 1.775 176.474 174.900 -0.335 0.000 1.115 2118 G CA 0.815 45.801 45.100 -0.190 0.000 0.757 2118 G HN 0.549 nan 8.290 nan 0.000 0.560 2119 A N 0.265 122.917 122.820 -0.279 0.000 1.930 2119 A HA 0.300 4.632 4.320 0.019 0.000 0.215 2119 A C 2.042 179.395 177.584 -0.384 0.000 1.176 2119 A CA 0.758 52.547 52.037 -0.413 0.000 0.632 2119 A CB -0.338 18.449 19.000 -0.354 0.000 0.819 2119 A HN 0.308 nan 8.150 nan 0.000 0.445 2120 F N 0.279 120.160 119.950 -0.116 0.000 2.325 2120 F HA 0.051 4.590 4.527 0.019 0.000 0.299 2120 F C 2.545 178.304 175.800 -0.067 0.000 1.090 2120 F CA 0.703 58.658 58.000 -0.074 0.000 1.392 2120 F CB -0.329 38.632 39.000 -0.064 0.000 1.053 2120 F HN 0.309 nan 8.300 nan 0.000 0.521 2121 G N 0.252 109.092 108.800 0.066 0.000 2.432 2121 G HA2 -0.175 3.796 3.960 0.019 0.000 0.219 2121 G HA3 -0.175 3.796 3.960 0.019 0.000 0.219 2121 G C 1.643 176.552 174.900 0.016 0.000 1.135 2121 G CA 0.567 45.686 45.100 0.031 0.000 0.767 2121 G HN 0.316 nan 8.290 nan 0.000 0.550 2122 L N 0.088 121.261 121.223 -0.083 0.000 2.240 2122 L HA 0.146 4.497 4.340 0.019 0.000 0.211 2122 L C 2.678 179.594 176.870 0.078 0.000 1.106 2122 L CA 0.234 55.053 54.840 -0.035 0.000 0.793 2122 L CB -0.192 41.684 42.059 -0.306 0.000 0.927 2122 L HN 0.196 nan 8.230 nan 0.000 0.446 2123 I N -0.248 120.342 120.570 0.033 0.000 2.286 2123 I HA -0.130 4.052 4.170 0.019 0.000 0.245 2123 I C 2.568 178.737 176.117 0.088 0.000 1.104 2123 I CA 1.344 62.690 61.300 0.078 0.000 1.397 2123 I CB -0.735 37.335 38.000 0.117 0.000 1.072 2123 I HN 0.252 nan 8.210 nan 0.000 0.417 2124 G N 0.447 109.291 108.800 0.074 0.000 2.408 2124 G HA2 -0.279 3.692 3.960 0.019 0.000 0.217 2124 G HA3 -0.279 3.692 3.960 0.019 0.000 0.217 2124 G C 1.611 176.472 174.900 -0.065 0.000 1.150 2124 G CA 0.176 45.275 45.100 -0.003 0.000 0.776 2124 G HN 0.308 nan 8.290 nan 0.000 0.542 2125 F N 0.499 120.364 119.950 -0.142 0.000 2.365 2125 F HA 0.172 4.711 4.527 0.019 0.000 0.300 2125 F C 2.410 178.012 175.800 -0.331 0.000 1.090 2125 F CA 1.347 59.197 58.000 -0.250 0.000 1.408 2125 F CB 0.167 39.023 39.000 -0.239 0.000 1.060 2125 F HN 0.173 nan 8.300 nan 0.000 0.534 2126 M N -0.938 118.646 119.600 -0.027 0.000 2.435 2126 M HA 0.012 4.503 4.480 0.019 0.000 0.265 2126 M C 1.512 177.634 176.300 -0.298 0.000 1.104 2126 M CA 1.178 56.387 55.300 -0.152 0.000 1.140 2126 M CB -0.026 32.613 32.600 0.064 0.000 1.372 2126 M HN 0.175 nan 8.290 nan 0.000 0.456 2127 L N -0.213 120.926 121.223 -0.140 0.000 2.072 2127 L HA -0.112 4.239 4.340 0.019 0.000 0.205 2127 L C 2.618 179.400 176.870 -0.148 0.000 1.079 2127 L CA 1.184 56.000 54.840 -0.039 0.000 0.752 2127 L CB -0.608 41.460 42.059 0.014 0.000 0.906 2127 L HN 0.357 nan 8.230 nan 0.000 0.436 2128 R N 0.033 120.334 120.500 -0.331 0.000 2.189 2128 R HA -0.180 4.171 4.340 0.019 0.000 0.223 2128 R C 2.109 178.097 176.300 -0.519 0.000 1.092 2128 R CA 1.119 56.930 56.100 -0.483 0.000 0.989 2128 R CB 0.011 29.913 30.300 -0.662 0.000 0.876 2128 R HN 0.399 nan 8.270 nan 0.000 0.457 2129 Q N -1.053 118.429 119.800 -0.530 0.000 2.389 2129 Q HA -0.011 4.340 4.340 0.019 0.000 0.204 2129 Q C 1.134 176.978 176.000 -0.260 0.000 0.944 2129 Q CA 0.762 56.282 55.803 -0.472 0.000 0.908 2129 Q CB 0.221 28.634 28.738 -0.542 0.000 1.002 2129 Q HN 0.405 nan 8.270 nan 0.000 0.493 2130 F N -0.157 119.695 119.950 -0.163 0.000 2.220 2130 F HA -0.034 4.505 4.527 0.019 0.000 0.290 2130 F C 2.183 177.928 175.800 -0.091 0.000 1.080 2130 F CA 0.184 58.133 58.000 -0.086 0.000 1.318 2130 F CB 0.361 39.336 39.000 -0.041 0.000 1.063 2130 F HN 0.089 nan 8.300 nan 0.000 0.498 2131 E N 1.099 121.345 120.200 0.076 0.000 2.007 2131 E HA -0.278 4.083 4.350 0.019 0.000 0.203 2131 E C 2.116 178.706 176.600 -0.018 0.000 1.020 2131 E CA 1.878 58.285 56.400 0.012 0.000 0.845 2131 E CB -0.332 29.316 29.700 -0.088 0.000 0.779 2131 E HN 0.321 nan 8.360 nan 0.000 0.466 2132 I N 0.749 121.222 120.570 -0.162 0.000 2.367 2132 I HA -0.345 3.837 4.170 0.019 0.000 0.256 2132 I C 2.273 178.381 176.117 -0.015 0.000 1.132 2132 I CA 1.053 62.294 61.300 -0.100 0.000 1.397 2132 I CB -0.395 37.474 38.000 -0.218 0.000 1.074 2132 I HN 0.181 nan 8.210 nan 0.000 0.435 2133 A N 0.066 122.891 122.820 0.009 0.000 2.072 2133 A HA -0.078 4.253 4.320 0.019 0.000 0.216 2133 A C 2.255 179.859 177.584 0.034 0.000 1.156 2133 A CA 0.802 52.859 52.037 0.033 0.000 0.701 2133 A CB -0.191 18.861 19.000 0.088 0.000 0.816 2133 A HN 0.239 nan 8.150 nan 0.000 0.458 2134 R N -0.633 119.894 120.500 0.044 0.000 2.312 2134 R HA 0.373 4.724 4.340 0.019 0.000 0.205 2134 R C 1.291 177.614 176.300 0.038 0.000 0.904 2134 R CA 0.518 56.638 56.100 0.033 0.000 1.052 2134 R CB -0.442 29.877 30.300 0.033 0.000 1.014 2134 R HN 0.491 nan 8.270 nan 0.000 0.503 2135 L N -1.312 119.944 121.223 0.054 0.000 2.269 2135 L HA 0.105 4.456 4.340 0.019 0.000 0.200 2135 L C 1.598 178.488 176.870 0.034 0.000 1.069 2135 L CA 0.421 55.296 54.840 0.057 0.000 0.804 2135 L CB -0.082 42.048 42.059 0.118 0.000 0.987 2135 L HN -0.089 nan 8.230 nan 0.000 0.468 2136 V N -0.169 119.766 119.914 0.034 0.000 2.719 2136 V HA 0.099 4.230 4.120 0.019 0.000 0.252 2136 V C 1.446 177.541 176.094 0.002 0.000 1.065 2136 V CA 1.215 63.524 62.300 0.015 0.000 1.086 2136 V CB -0.555 31.276 31.823 0.012 0.000 0.700 2136 V HN 0.701 nan 8.190 nan 0.000 0.467 2137 G N 0.208 109.009 108.800 0.002 0.000 2.165 2137 G HA2 -0.177 3.794 3.960 0.019 0.000 0.226 2137 G HA3 -0.177 3.794 3.960 0.019 0.000 0.226 2137 G C -0.065 174.823 174.900 -0.021 0.000 1.035 2137 G CA 0.144 45.239 45.100 -0.008 0.000 0.744 2137 G HN 0.359 nan 8.290 nan 0.000 0.501 2138 V N -0.061 119.841 119.914 -0.021 0.000 3.302 2138 V HA 0.586 4.717 4.120 0.019 0.000 0.316 2138 V C 1.334 177.397 176.094 -0.051 0.000 1.111 2138 V CA -1.008 61.267 62.300 -0.041 0.000 1.029 2138 V CB 1.450 33.251 31.823 -0.037 0.000 1.170 2138 V HN 0.377 nan 8.190 nan 0.000 0.452 2139 R N 2.216 122.655 120.500 -0.101 0.000 2.490 2139 R HA 0.230 4.582 4.340 0.019 0.000 0.280 2139 R C -1.620 174.667 176.300 -0.022 0.000 1.077 2139 R CA -1.259 54.749 56.100 -0.154 0.000 1.065 2139 R CB 0.711 30.763 30.300 -0.414 0.000 1.003 2139 R HN 0.523 nan 8.270 nan 0.000 0.470 2140 P HA -0.104 nan 4.420 nan 0.000 0.245 2140 P C 0.575 178.084 177.300 0.348 0.000 1.212 2140 P CA 0.888 64.172 63.100 0.307 0.000 0.774 2140 P CB 0.103 32.104 31.700 0.501 0.000 0.999 2141 Y N 0.757 121.096 120.300 0.065 0.000 2.132 2141 Y HA -0.297 4.264 4.550 0.019 0.000 0.280 2141 Y C 2.695 178.618 175.900 0.038 0.000 1.193 2141 Y CA 0.723 58.847 58.100 0.040 0.000 1.157 2141 Y CB -0.807 37.651 38.460 -0.004 0.000 0.966 2141 Y HN 0.084 nan 8.280 nan 0.000 0.511 2142 N N 0.508 119.318 118.700 0.183 0.000 2.069 2142 N HA -0.200 4.552 4.740 0.019 0.000 0.191 2142 N C 1.957 177.498 175.510 0.053 0.000 1.031 2142 N CA 1.355 54.464 53.050 0.098 0.000 0.852 2142 N CB -0.327 38.179 38.487 0.031 0.000 1.018 2142 N HN 0.369 nan 8.380 nan 0.000 0.423 2143 A N 1.002 123.784 122.820 -0.064 0.000 1.986 2143 A HA -0.143 4.189 4.320 0.019 0.000 0.220 2143 A C 2.273 179.821 177.584 -0.059 0.000 1.171 2143 A CA 1.150 53.031 52.037 -0.259 0.000 0.640 2143 A CB -0.571 17.908 19.000 -0.868 0.000 0.811 2143 A HN 0.386 nan 8.150 nan 0.000 0.451 2144 I N -0.919 119.686 120.570 0.059 0.000 2.584 2144 I HA -0.106 4.075 4.170 0.019 0.000 0.255 2144 I C 2.802 179.009 176.117 0.149 0.000 1.145 2144 I CA 0.757 62.124 61.300 0.113 0.000 1.462 2144 I CB -0.268 37.776 38.000 0.074 0.000 1.102 2144 I HN 0.301 nan 8.210 nan 0.000 0.433 2145 A N 0.590 123.500 122.820 0.151 0.000 2.015 2145 A HA -0.210 4.121 4.320 0.019 0.000 0.219 2145 A C 2.116 179.831 177.584 0.219 0.000 1.163 2145 A CA 1.176 53.315 52.037 0.171 0.000 0.646 2145 A CB -0.833 18.261 19.000 0.156 0.000 0.806 2145 A HN 0.422 nan 8.150 nan 0.000 0.448 2146 F N 1.369 121.351 119.950 0.054 0.000 2.451 2146 F HA -0.101 4.437 4.527 0.018 0.000 0.299 2146 F C 2.635 178.463 175.800 0.046 0.000 1.101 2146 F CA 1.042 59.062 58.000 0.034 0.000 1.436 2146 F CB -0.180 38.836 39.000 0.027 0.000 1.074 2146 F HN 0.342 nan 8.300 nan 0.000 0.553 2147 S N 0.193 115.984 115.700 0.151 0.000 2.382 2147 S HA -0.183 4.299 4.470 0.019 0.000 0.228 2147 S C 2.392 176.976 174.600 -0.027 0.000 1.027 2147 S CA 0.951 59.239 58.200 0.146 0.000 0.991 2147 S CB -0.901 62.562 63.200 0.439 0.000 0.823 2147 S HN 0.358 nan 8.310 nan 0.000 0.469 2148 A N 3.265 126.118 122.820 0.056 0.000 1.859 2148 A HA -0.046 4.285 4.320 0.019 0.000 0.218 2148 A C 0.263 177.623 177.584 -0.374 0.000 1.209 2148 A CA 1.966 53.864 52.037 -0.232 0.000 0.639 2148 A CB -2.065 16.928 19.000 -0.012 0.000 0.835 2148 A HN 0.558 nan 8.150 nan 0.000 0.450 2149 P HA -0.143 nan 4.420 nan 0.000 0.216 2149 P C 1.297 178.396 177.300 -0.335 0.000 1.150 2149 P CA 1.185 64.064 63.100 -0.367 0.000 0.843 2149 P CB -0.167 31.223 31.700 -0.516 0.000 0.787 2150 I N -1.282 119.035 120.570 -0.421 0.000 2.361 2150 I HA -0.229 3.953 4.170 0.019 0.000 0.251 2150 I C 2.239 178.259 176.117 -0.161 0.000 1.133 2150 I CA 1.249 62.393 61.300 -0.260 0.000 1.413 2150 I CB -0.760 37.107 38.000 -0.221 0.000 1.073 2150 I HN -0.063 nan 8.210 nan 0.000 0.424 2151 A N 0.896 123.504 122.820 -0.352 0.000 1.840 2151 A HA -0.116 4.216 4.320 0.019 0.000 0.214 2151 A C 2.439 179.859 177.584 -0.273 0.000 1.198 2151 A CA 1.518 53.268 52.037 -0.478 0.000 0.608 2151 A CB -1.017 17.281 19.000 -1.171 0.000 0.839 2151 A HN 0.167 nan 8.150 nan 0.000 0.443 2152 V N -0.732 119.018 119.914 -0.273 0.000 2.250 2152 V HA -0.341 3.790 4.120 0.019 0.000 0.253 2152 V C 2.293 178.379 176.094 -0.013 0.000 1.065 2152 V CA 2.571 64.793 62.300 -0.131 0.000 1.039 2152 V CB -1.143 30.617 31.823 -0.106 0.000 0.647 2152 V HN 0.591 nan 8.190 nan 0.000 0.446 2153 F N 0.803 120.699 119.950 -0.090 0.000 2.025 2153 F HA -0.245 4.292 4.527 0.018 0.000 0.297 2153 F C 2.286 178.163 175.800 0.129 0.000 1.132 2153 F CA 2.401 60.420 58.000 0.032 0.000 1.191 2153 F CB -0.552 38.362 39.000 -0.144 0.000 0.963 2153 F HN -0.020 nan 8.300 nan 0.000 0.481 2154 V N -0.681 119.314 119.914 0.134 0.000 2.255 2154 V HA -0.327 3.804 4.120 0.019 0.000 0.247 2154 V C 2.572 178.674 176.094 0.014 0.000 1.051 2154 V CA 1.962 64.305 62.300 0.072 0.000 1.018 2154 V CB -1.458 30.419 31.823 0.090 0.000 0.641 2154 V HN 0.492 nan 8.190 nan 0.000 0.445 2155 S N -0.275 115.418 115.700 -0.012 0.000 2.377 2155 S HA -0.236 4.245 4.470 0.019 0.000 0.224 2155 S C 1.908 176.494 174.600 -0.024 0.000 1.042 2155 S CA 2.311 60.506 58.200 -0.009 0.000 1.086 2155 S CB -0.361 62.812 63.200 -0.046 0.000 0.995 2155 S HN 0.319 nan 8.310 nan 0.000 0.428 2156 V N 0.937 120.775 119.914 -0.128 0.000 2.216 2156 V HA -0.125 4.007 4.120 0.019 0.000 0.242 2156 V C 1.939 177.877 176.094 -0.260 0.000 1.042 2156 V CA 2.125 64.235 62.300 -0.317 0.000 0.991 2156 V CB -1.015 30.411 31.823 -0.662 0.000 0.633 2156 V HN 0.573 nan 8.190 nan 0.000 0.449 2157 F N -0.487 119.274 119.950 -0.314 0.000 2.722 2157 F HA 0.124 4.662 4.527 0.018 0.000 0.298 2157 F C 1.457 177.315 175.800 0.096 0.000 1.175 2157 F CA 0.762 58.660 58.000 -0.171 0.000 1.462 2157 F CB -0.652 37.978 39.000 -0.616 0.000 1.111 2157 F HN 0.083 nan 8.300 nan 0.000 0.592 2158 L N -2.110 119.257 121.223 0.240 0.000 2.865 2158 L HA 0.158 4.509 4.340 0.019 0.000 0.167 2158 L C 2.018 179.031 176.870 0.237 0.000 1.135 2158 L CA -0.081 54.951 54.840 0.320 0.000 0.895 2158 L CB -0.543 41.652 42.059 0.227 0.000 1.643 2158 L HN -0.183 nan 8.230 nan 0.000 0.518 2159 I N 0.325 120.998 120.570 0.171 0.000 2.091 2159 I HA -0.408 3.773 4.170 0.019 0.000 0.240 2159 I C 2.634 178.850 176.117 0.165 0.000 1.046 2159 I CA 2.286 63.673 61.300 0.146 0.000 1.306 2159 I CB -0.350 37.726 38.000 0.128 0.000 1.018 2159 I HN 0.285 nan 8.210 nan 0.000 0.404 2160 Y N 1.871 122.196 120.300 0.040 0.000 2.097 2160 Y HA -0.167 4.396 4.550 0.020 0.000 0.282 2160 Y C -0.520 175.395 175.900 0.026 0.000 1.152 2160 Y CA 1.639 59.757 58.100 0.030 0.000 1.136 2160 Y CB -1.679 36.805 38.460 0.041 0.000 0.975 2160 Y HN 0.104 nan 8.280 nan 0.000 0.498 2161 P HA -0.139 nan 4.420 nan 0.000 0.220 2161 P C 1.714 178.834 177.300 -0.301 0.000 1.148 2161 P CA 1.636 64.645 63.100 -0.152 0.000 0.803 2161 P CB -0.094 31.666 31.700 0.101 0.000 0.782 2162 L N -1.247 119.889 121.223 -0.145 0.000 1.994 2162 L HA -0.111 4.241 4.340 0.019 0.000 0.208 2162 L C 2.649 179.543 176.870 0.039 0.000 1.071 2162 L CA 2.032 56.859 54.840 -0.022 0.000 0.745 2162 L CB -1.883 40.207 42.059 0.051 0.000 0.892 2162 L HN 0.072 nan 8.230 nan 0.000 0.431 2163 G N -0.782 107.993 108.800 -0.041 0.000 2.442 2163 G HA2 -0.172 3.799 3.960 0.019 0.000 0.219 2163 G HA3 -0.172 3.799 3.960 0.019 0.000 0.219 2163 G C 1.000 175.821 174.900 -0.130 0.000 1.141 2163 G CA 0.361 45.420 45.100 -0.067 0.000 0.763 2163 G HN 0.376 nan 8.290 nan 0.000 0.554 2164 Q N -0.585 119.071 119.800 -0.239 0.000 2.177 2164 Q HA 0.365 4.716 4.340 0.019 0.000 0.183 2164 Q C 1.659 177.558 176.000 -0.168 0.000 1.040 2164 Q CA -0.360 55.267 55.803 -0.293 0.000 1.089 2164 Q CB 0.634 29.055 28.738 -0.530 0.000 1.130 2164 Q HN 0.137 nan 8.270 nan 0.000 0.575 2165 S N -0.619 114.947 115.700 -0.224 0.000 2.407 2165 S HA -0.162 4.319 4.470 0.019 0.000 0.235 2165 S C 0.450 175.102 174.600 0.088 0.000 1.036 2165 S CA 1.458 59.619 58.200 -0.065 0.000 1.013 2165 S CB -0.036 63.114 63.200 -0.083 0.000 0.820 2165 S HN 0.641 nan 8.310 nan 0.000 0.476 2166 S N -3.183 112.530 115.700 0.023 0.000 2.621 2166 S HA 0.144 4.625 4.470 0.019 0.000 0.271 2166 S C -0.129 174.295 174.600 -0.293 0.000 1.131 2166 S CA -0.357 57.720 58.200 -0.205 0.000 0.962 2166 S CB -0.863 62.366 63.200 0.047 0.000 1.199 2166 S HN 0.324 nan 8.310 nan 0.000 0.474 2167 W N 0.375 121.526 121.300 -0.247 0.000 2.358 2167 W HA 0.012 4.682 4.660 0.018 0.000 0.303 2167 W C 2.242 178.540 176.519 -0.368 0.000 1.208 2167 W CA 0.831 57.974 57.345 -0.336 0.000 1.274 2167 W CB -0.374 28.923 29.460 -0.272 0.000 1.138 2167 W HN 0.658 nan 8.180 nan 0.000 0.515 2168 F N 0.245 120.094 119.950 -0.168 0.000 2.048 2168 F HA -0.381 4.157 4.527 0.018 0.000 0.296 2168 F C 1.685 177.202 175.800 -0.472 0.000 1.109 2168 F CA 1.612 59.374 58.000 -0.397 0.000 1.214 2168 F CB -0.659 38.003 39.000 -0.564 0.000 0.963 2168 F HN -0.229 nan 8.300 nan 0.000 0.491 2169 F N 0.995 121.021 119.950 0.127 0.000 2.773 2169 F HA 0.152 4.690 4.527 0.018 0.000 0.299 2169 F C 1.227 177.045 175.800 0.029 0.000 1.204 2169 F CA 0.123 58.099 58.000 -0.041 0.000 1.454 2169 F CB -1.362 37.485 39.000 -0.256 0.000 1.117 2169 F HN -0.005 nan 8.300 nan 0.000 0.590 2170 A N 0.248 123.094 122.820 0.043 0.000 2.322 2170 A HA 0.457 4.788 4.320 0.019 0.000 0.269 2170 A C -2.125 175.379 177.584 -0.134 0.000 1.094 2170 A CA -1.577 50.468 52.037 0.014 0.000 0.807 2170 A CB -0.145 18.782 19.000 -0.120 0.000 1.047 2170 A HN -0.054 nan 8.150 nan 0.000 0.487 2171 P HA 0.061 nan 4.420 nan 0.000 0.267 2171 P C -0.384 176.723 177.300 -0.322 0.000 1.195 2171 P CA 0.415 63.148 63.100 -0.612 0.000 0.773 2171 P CB 0.422 31.328 31.700 -1.323 0.000 0.837 2172 S N 1.050 116.601 115.700 -0.248 0.000 2.578 2172 S HA 0.406 4.887 4.470 0.019 0.000 0.283 2172 S C -0.211 174.310 174.600 -0.133 0.000 1.195 2172 S CA -0.440 57.636 58.200 -0.208 0.000 1.050 2172 S CB 0.207 63.298 63.200 -0.182 0.000 1.012 2172 S HN 0.252 nan 8.310 nan 0.000 0.511 2173 F N 2.583 122.663 119.950 0.216 0.000 2.619 2173 F HA 0.491 5.029 4.527 0.018 0.000 0.350 2173 F C 1.296 177.195 175.800 0.166 0.000 1.259 2173 F CA -0.017 58.071 58.000 0.147 0.000 1.204 2173 F CB -0.155 38.952 39.000 0.178 0.000 1.556 2173 F HN 0.761 nan 8.300 nan 0.000 0.650 2174 G N 0.486 109.415 108.800 0.215 0.000 2.488 2174 G HA2 0.365 4.336 3.960 0.019 0.000 0.301 2174 G HA3 0.365 4.336 3.960 0.019 0.000 0.301 2174 G C -0.257 174.632 174.900 -0.019 0.000 1.339 2174 G CA -0.634 44.579 45.100 0.188 0.000 0.803 2174 G HN 0.021 nan 8.290 nan 0.000 0.482 2175 V N 0.790 120.651 119.914 -0.087 0.000 2.284 2175 V HA 0.153 4.285 4.120 0.019 0.000 0.236 2175 V C 3.237 179.122 176.094 -0.348 0.000 1.044 2175 V CA 2.600 64.738 62.300 -0.271 0.000 1.019 2175 V CB -1.025 30.615 31.823 -0.304 0.000 0.657 2175 V HN 1.016 nan 8.190 nan 0.000 0.465 2176 A N 0.320 123.132 122.820 -0.012 0.000 1.883 2176 A HA -0.141 4.190 4.320 0.019 0.000 0.217 2176 A C 2.322 179.968 177.584 0.103 0.000 1.186 2176 A CA 2.182 54.386 52.037 0.278 0.000 0.624 2176 A CB -1.048 18.067 19.000 0.191 0.000 0.822 2176 A HN 0.678 nan 8.150 nan 0.000 0.444 2177 A N -0.882 121.944 122.820 0.011 0.000 2.194 2177 A HA -0.066 4.265 4.320 0.019 0.000 0.220 2177 A C 1.835 179.400 177.584 -0.031 0.000 1.162 2177 A CA 1.595 53.631 52.037 -0.003 0.000 0.674 2177 A CB -0.437 18.546 19.000 -0.029 0.000 0.789 2177 A HN 0.424 nan 8.150 nan 0.000 0.470 2178 I N -2.098 118.383 120.570 -0.148 0.000 2.628 2178 I HA 0.014 4.196 4.170 0.019 0.000 0.255 2178 I C 2.061 178.125 176.117 -0.089 0.000 1.119 2178 I CA 0.513 61.687 61.300 -0.211 0.000 1.448 2178 I CB -1.362 36.393 38.000 -0.408 0.000 1.133 2178 I HN 0.404 nan 8.210 nan 0.000 0.438 2179 F N 1.192 121.169 119.950 0.044 0.000 2.126 2179 F HA -0.225 4.313 4.527 0.018 0.000 0.299 2179 F C 2.651 178.502 175.800 0.085 0.000 1.096 2179 F CA 1.112 59.144 58.000 0.053 0.000 1.255 2179 F CB -0.448 38.568 39.000 0.026 0.000 0.997 2179 F HN 0.042 nan 8.300 nan 0.000 0.479 2180 R N 0.728 121.389 120.500 0.268 0.000 2.120 2180 R HA -0.215 4.137 4.340 0.019 0.000 0.234 2180 R C 2.088 178.511 176.300 0.205 0.000 1.123 2180 R CA 1.453 57.680 56.100 0.211 0.000 0.975 2180 R CB -1.228 29.171 30.300 0.166 0.000 0.866 2180 R HN 0.316 nan 8.270 nan 0.000 0.446 2181 F N 1.531 121.491 119.950 0.017 0.000 2.051 2181 F HA -0.153 4.385 4.527 0.018 0.000 0.296 2181 F C 2.224 178.035 175.800 0.017 0.000 1.122 2181 F CA 1.565 59.534 58.000 -0.051 0.000 1.201 2181 F CB -0.506 38.350 39.000 -0.241 0.000 0.978 2181 F HN -0.083 nan 8.300 nan 0.000 0.472 2182 L N 0.104 121.419 121.223 0.155 0.000 1.965 2182 L HA -0.355 3.996 4.340 0.019 0.000 0.226 2182 L C 2.548 179.493 176.870 0.124 0.000 1.083 2182 L CA 2.091 56.989 54.840 0.095 0.000 0.790 2182 L CB -1.472 40.693 42.059 0.177 0.000 0.898 2182 L HN 0.242 nan 8.230 nan 0.000 0.439 2183 L N -1.194 120.124 121.223 0.159 0.000 2.034 2183 L HA -0.313 4.038 4.340 0.019 0.000 0.217 2183 L C 2.632 179.600 176.870 0.164 0.000 1.077 2183 L CA 1.684 56.614 54.840 0.150 0.000 0.769 2183 L CB -0.834 41.315 42.059 0.149 0.000 0.890 2183 L HN 0.183 nan 8.230 nan 0.000 0.435 2184 F N 0.256 120.212 119.950 0.009 0.000 2.087 2184 F HA -0.320 4.218 4.527 0.018 0.000 0.299 2184 F C 2.263 178.029 175.800 -0.057 0.000 1.100 2184 F CA 1.653 59.611 58.000 -0.070 0.000 1.226 2184 F CB -0.369 38.492 39.000 -0.232 0.000 0.983 2184 F HN -0.135 nan 8.300 nan 0.000 0.479 2185 F N 0.644 120.502 119.950 -0.153 0.000 2.126 2185 F HA -0.230 4.308 4.527 0.018 0.000 0.299 2185 F C 2.643 178.403 175.800 -0.067 0.000 1.096 2185 F CA 1.849 59.761 58.000 -0.145 0.000 1.255 2185 F CB -1.265 37.590 39.000 -0.242 0.000 0.997 2185 F HN 0.095 nan 8.300 nan 0.000 0.479 2186 Q N 0.348 120.239 119.800 0.151 0.000 2.124 2186 Q HA -0.067 4.284 4.340 0.019 0.000 0.202 2186 Q C 2.332 178.313 176.000 -0.031 0.000 0.977 2186 Q CA 1.948 57.801 55.803 0.084 0.000 0.850 2186 Q CB -0.989 27.800 28.738 0.086 0.000 0.901 2186 Q HN 0.347 nan 8.270 nan 0.000 0.429 2187 G N -1.274 107.493 108.800 -0.054 0.000 2.395 2187 G HA2 -0.140 3.831 3.960 0.019 0.000 0.214 2187 G HA3 -0.140 3.831 3.960 0.019 0.000 0.214 2187 G C 0.784 175.475 174.900 -0.349 0.000 1.177 2187 G CA 0.573 45.584 45.100 -0.148 0.000 0.794 2187 G HN 0.386 nan 8.290 nan 0.000 0.532 2188 F N -0.196 119.294 119.950 -0.767 0.000 2.569 2188 F HA 0.307 4.844 4.527 0.018 0.000 0.295 2188 F C 2.327 177.508 175.800 -1.031 0.000 1.115 2188 F CA 0.231 57.664 58.000 -0.945 0.000 1.450 2188 F CB -0.061 38.223 39.000 -1.193 0.000 1.107 2188 F HN 0.155 nan 8.300 nan 0.000 0.563 2189 H N -1.859 116.952 119.070 -0.432 0.000 2.788 2189 H HA 0.171 4.738 4.556 0.018 0.000 0.262 2189 H C 0.458 175.635 175.328 -0.252 0.000 0.968 2189 H CA 0.434 56.249 56.048 -0.387 0.000 1.218 2189 H CB -0.110 29.415 29.762 -0.394 0.000 1.443 2189 H HN -0.034 nan 8.280 nan 0.000 0.478 2190 N N 0.554 119.214 118.700 -0.067 0.000 2.738 2190 N HA -0.202 4.549 4.740 0.019 0.000 0.249 2190 N C 0.835 176.457 175.510 0.188 0.000 1.047 2190 N CA 0.537 53.634 53.050 0.078 0.000 0.707 2190 N CB -1.649 36.985 38.487 0.245 0.000 0.937 2190 N HN 0.639 nan 8.380 nan 0.000 0.545 2191 W N 0.085 121.387 121.300 0.004 0.000 2.364 2191 W HA -0.195 4.477 4.660 0.020 0.000 0.281 2191 W C 1.193 177.684 176.519 -0.047 0.000 1.219 2191 W CA 1.625 58.968 57.345 -0.002 0.000 1.220 2191 W CB -0.311 29.208 29.460 0.099 0.000 1.127 2191 W HN 0.373 nan 8.180 nan 0.000 0.556 2192 T N 1.447 115.992 114.554 -0.015 0.000 2.833 2192 T HA -0.201 4.161 4.350 0.019 0.000 0.269 2192 T C 1.871 176.548 174.700 -0.039 0.000 1.054 2192 T CA 1.354 63.406 62.100 -0.080 0.000 1.135 2192 T CB -0.707 68.170 68.868 0.016 0.000 0.869 2192 T HN 0.196 nan 8.240 nan 0.000 0.466 2193 L N 0.597 121.819 121.223 -0.002 0.000 2.395 2193 L HA 0.110 4.462 4.340 0.019 0.000 0.218 2193 L C 1.425 178.293 176.870 -0.005 0.000 1.130 2193 L CA -0.041 54.808 54.840 0.015 0.000 0.826 2193 L CB -0.499 41.580 42.059 0.034 0.000 0.941 2193 L HN 0.290 nan 8.230 nan 0.000 0.451 2194 N N 1.223 119.872 118.700 -0.085 0.000 2.407 2194 N HA -0.038 4.713 4.740 0.019 0.000 0.250 2194 N C -1.609 173.813 175.510 -0.146 0.000 1.236 2194 N CA -0.738 52.213 53.050 -0.165 0.000 0.879 2194 N CB 1.444 39.719 38.487 -0.354 0.000 1.088 2194 N HN -0.055 nan 8.380 nan 0.000 0.450 2195 P HA -0.065 nan 4.420 nan 0.000 0.219 2195 P C 1.543 178.925 177.300 0.136 0.000 1.154 2195 P CA 1.133 64.242 63.100 0.016 0.000 0.826 2195 P CB -0.002 31.725 31.700 0.045 0.000 0.795 2196 F N 0.093 119.972 119.950 -0.118 0.000 2.095 2196 F HA -0.236 4.302 4.527 0.017 0.000 0.298 2196 F C 2.930 178.599 175.800 -0.219 0.000 1.104 2196 F CA 1.005 58.931 58.000 -0.123 0.000 1.232 2196 F CB -1.098 37.870 39.000 -0.054 0.000 0.987 2196 F HN 0.100 nan 8.300 nan 0.000 0.475 2197 H N 0.738 119.579 119.070 -0.381 0.000 2.456 2197 H HA -0.143 4.424 4.556 0.018 0.000 0.296 2197 H C 2.125 177.318 175.328 -0.226 0.000 1.079 2197 H CA 1.324 57.071 56.048 -0.502 0.000 1.322 2197 H CB -0.080 28.926 29.762 -1.259 0.000 1.388 2197 H HN 0.300 nan 8.280 nan 0.000 0.538 2198 M N -0.232 119.284 119.600 -0.140 0.000 2.086 2198 M HA -0.187 4.305 4.480 0.019 0.000 0.261 2198 M C 2.589 178.818 176.300 -0.118 0.000 1.067 2198 M CA 1.553 56.793 55.300 -0.100 0.000 1.116 2198 M CB -0.189 32.398 32.600 -0.021 0.000 1.348 2198 M HN 0.286 nan 8.290 nan 0.000 0.407 2199 M N -0.409 119.142 119.600 -0.081 0.000 2.099 2199 M HA -0.055 4.436 4.480 0.019 0.000 0.262 2199 M C 2.390 178.606 176.300 -0.141 0.000 1.067 2199 M CA 1.731 56.975 55.300 -0.094 0.000 1.124 2199 M CB -1.202 31.352 32.600 -0.077 0.000 1.353 2199 M HN 0.413 nan 8.290 nan 0.000 0.410 2200 G N 0.683 109.386 108.800 -0.162 0.000 2.491 2200 G HA2 -0.189 3.782 3.960 0.019 0.000 0.218 2200 G HA3 -0.189 3.782 3.960 0.019 0.000 0.218 2200 G C 1.439 176.212 174.900 -0.211 0.000 1.180 2200 G CA 1.186 46.181 45.100 -0.174 0.000 0.774 2200 G HN 0.341 nan 8.290 nan 0.000 0.562 2201 V N 1.399 121.128 119.914 -0.309 0.000 2.867 2201 V HA -0.067 4.064 4.120 0.019 0.000 0.260 2201 V C 3.087 179.100 176.094 -0.135 0.000 1.099 2201 V CA 1.690 63.847 62.300 -0.238 0.000 1.122 2201 V CB -0.662 31.014 31.823 -0.245 0.000 0.708 2201 V HN 0.531 nan 8.190 nan 0.000 0.490 2202 A N 0.711 123.454 122.820 -0.128 0.000 1.855 2202 A HA 0.072 4.403 4.320 0.019 0.000 0.213 2202 A C 2.437 179.957 177.584 -0.107 0.000 1.195 2202 A CA 1.500 53.478 52.037 -0.098 0.000 0.610 2202 A CB -1.126 17.817 19.000 -0.095 0.000 0.837 2202 A HN 0.471 nan 8.150 nan 0.000 0.444 2203 G N -0.311 108.408 108.800 -0.135 0.000 2.418 2203 G HA2 -0.101 3.870 3.960 0.019 0.000 0.217 2203 G HA3 -0.101 3.870 3.960 0.019 0.000 0.217 2203 G C 1.504 176.339 174.900 -0.108 0.000 1.158 2203 G CA 1.311 46.322 45.100 -0.147 0.000 0.771 2203 G HN 0.297 nan 8.290 nan 0.000 0.545 2204 V N 1.057 120.916 119.914 -0.092 0.000 2.287 2204 V HA -0.180 3.951 4.120 0.019 0.000 0.248 2204 V C 2.882 178.947 176.094 -0.049 0.000 1.053 2204 V CA 1.701 63.963 62.300 -0.064 0.000 1.027 2204 V CB -0.519 31.270 31.823 -0.057 0.000 0.646 2204 V HN 0.338 nan 8.190 nan 0.000 0.447 2205 L N 0.339 121.533 121.223 -0.049 0.000 2.217 2205 L HA 0.025 4.377 4.340 0.019 0.000 0.211 2205 L C 2.493 179.343 176.870 -0.034 0.000 1.107 2205 L CA 1.301 56.122 54.840 -0.032 0.000 0.783 2205 L CB -0.817 41.225 42.059 -0.027 0.000 0.919 2205 L HN 0.457 nan 8.230 nan 0.000 0.442 2206 G N -0.616 108.153 108.800 -0.051 0.000 2.464 2206 G HA2 -0.087 3.884 3.960 0.019 0.000 0.217 2206 G HA3 -0.087 3.884 3.960 0.019 0.000 0.217 2206 G C 1.594 176.463 174.900 -0.051 0.000 1.138 2206 G CA 0.570 45.640 45.100 -0.050 0.000 0.793 2206 G HN 0.437 nan 8.290 nan 0.000 0.539 2207 G N 1.123 109.887 108.800 -0.060 0.000 2.402 2207 G HA2 0.083 4.054 3.960 0.019 0.000 0.216 2207 G HA3 0.083 4.054 3.960 0.019 0.000 0.216 2207 G C 1.944 176.828 174.900 -0.026 0.000 1.162 2207 G CA 1.364 46.434 45.100 -0.050 0.000 0.777 2207 G HN 0.561 nan 8.290 nan 0.000 0.539 2208 A N 0.044 122.853 122.820 -0.019 0.000 2.016 2208 A HA 0.258 4.589 4.320 0.019 0.000 0.217 2208 A C 2.273 179.854 177.584 -0.005 0.000 1.162 2208 A CA 1.261 53.294 52.037 -0.006 0.000 0.662 2208 A CB -0.233 18.766 19.000 -0.002 0.000 0.812 2208 A HN 0.401 nan 8.150 nan 0.000 0.450 2209 L N -0.293 120.922 121.223 -0.014 0.000 2.072 2209 L HA -0.042 4.309 4.340 0.019 0.000 0.205 2209 L C 2.222 179.078 176.870 -0.024 0.000 1.079 2209 L CA 1.438 56.266 54.840 -0.021 0.000 0.752 2209 L CB -0.277 41.765 42.059 -0.029 0.000 0.906 2209 L HN 0.388 nan 8.230 nan 0.000 0.436 2210 L N -1.592 119.623 121.223 -0.014 0.000 1.988 2210 L HA -0.265 4.086 4.340 0.019 0.000 0.207 2210 L C 2.647 179.536 176.870 0.031 0.000 1.071 2210 L CA 1.452 56.293 54.840 0.001 0.000 0.744 2210 L CB -1.169 40.890 42.059 0.001 0.000 0.893 2210 L HN 0.325 nan 8.230 nan 0.000 0.433 2211 C N 0.013 119.327 119.300 0.022 0.000 2.397 2211 C HA -0.249 4.222 4.460 0.019 0.000 0.282 2211 C C 3.002 178.024 174.990 0.054 0.000 1.252 2211 C CA 0.985 60.029 59.018 0.044 0.000 1.811 2211 C CB -1.041 26.715 27.740 0.026 0.000 2.027 2211 C HN 0.626 nan 8.230 nan 0.000 0.503 2212 A N -0.356 122.485 122.820 0.035 0.000 1.871 2212 A HA 0.085 4.416 4.320 0.019 0.000 0.211 2212 A C 1.941 179.551 177.584 0.044 0.000 1.207 2212 A CA 0.980 53.036 52.037 0.032 0.000 0.620 2212 A CB -0.520 18.493 19.000 0.021 0.000 0.860 2212 A HN 0.480 nan 8.150 nan 0.000 0.450 2213 I N -0.792 119.799 120.570 0.036 0.000 2.163 2213 I HA -0.314 3.868 4.170 0.019 0.000 0.243 2213 I C 2.542 178.724 176.117 0.108 0.000 1.085 2213 I CA 2.042 63.381 61.300 0.065 0.000 1.347 2213 I CB -0.509 37.435 38.000 -0.093 0.000 1.044 2213 I HN 0.556 nan 8.210 nan 0.000 0.408 2214 H N 0.827 119.903 119.070 0.010 0.000 2.270 2214 H HA -0.131 4.436 4.556 0.017 0.000 0.299 2214 H C 2.247 177.552 175.328 -0.038 0.000 1.077 2214 H CA 2.116 58.162 56.048 -0.002 0.000 1.294 2214 H CB -0.662 29.081 29.762 -0.032 0.000 1.371 2214 H HN 0.248 nan 8.280 nan 0.000 0.491 2215 G N -0.498 108.310 108.800 0.013 0.000 2.450 2215 G HA2 -0.246 3.725 3.960 0.019 0.000 0.220 2215 G HA3 -0.246 3.725 3.960 0.019 0.000 0.220 2215 G C 1.775 176.595 174.900 -0.134 0.000 1.130 2215 G CA 0.925 45.990 45.100 -0.058 0.000 0.760 2215 G HN 0.620 nan 8.290 nan 0.000 0.557 2216 A N -0.041 122.727 122.820 -0.087 0.000 1.903 2216 A HA 0.134 4.465 4.320 0.019 0.000 0.213 2216 A C 2.490 179.962 177.584 -0.187 0.000 1.185 2216 A CA 2.090 54.066 52.037 -0.101 0.000 0.628 2216 A CB -0.761 18.234 19.000 -0.009 0.000 0.830 2216 A HN 0.248 nan 8.150 nan 0.000 0.446 2217 T N 0.257 114.720 114.554 -0.152 0.000 2.580 2217 T HA -0.182 4.179 4.350 0.019 0.000 0.265 2217 T C 1.863 176.264 174.700 -0.499 0.000 1.063 2217 T CA 1.932 63.874 62.100 -0.264 0.000 1.170 2217 T CB -0.733 68.092 68.868 -0.071 0.000 0.863 2217 T HN 0.133 nan 8.240 nan 0.000 0.418 2218 V N 1.253 120.755 119.914 -0.686 0.000 2.259 2218 V HA -0.284 3.848 4.120 0.019 0.000 0.245 2218 V C 2.440 178.124 176.094 -0.683 0.000 1.024 2218 V CA 2.355 64.009 62.300 -1.077 0.000 1.022 2218 V CB -0.862 30.456 31.823 -0.841 0.000 0.663 2218 V HN 0.440 nan 8.190 nan 0.000 0.480 2219 E N 0.135 120.053 120.200 -0.469 0.000 2.245 2219 E HA -0.314 4.047 4.350 0.019 0.000 0.217 2219 E C 1.814 178.169 176.600 -0.409 0.000 1.069 2219 E CA 2.419 58.586 56.400 -0.389 0.000 0.877 2219 E CB -0.552 28.970 29.700 -0.297 0.000 0.757 2219 E HN 0.690 nan 8.360 nan 0.000 0.464 2220 N N -2.350 116.123 118.700 -0.379 0.000 2.424 2220 N HA 0.004 4.756 4.740 0.019 0.000 0.178 2220 N C 0.542 175.844 175.510 -0.348 0.000 1.060 2220 N CA 1.116 53.959 53.050 -0.345 0.000 0.901 2220 N CB 0.325 38.614 38.487 -0.330 0.000 0.979 2220 N HN -0.011 nan 8.380 nan 0.000 0.451 2221 T N 0.465 114.788 114.554 -0.384 0.000 3.105 2221 T HA 0.237 4.599 4.350 0.019 0.000 0.253 2221 T C 0.267 174.825 174.700 -0.236 0.000 1.047 2221 T CA -0.299 61.611 62.100 -0.317 0.000 0.944 2221 T CB 0.087 68.760 68.868 -0.325 0.000 1.016 2221 T HN 0.118 nan 8.240 nan 0.000 0.544 2222 L N 1.666 122.765 121.223 -0.207 0.000 2.573 2222 L HA 0.115 4.467 4.340 0.019 0.000 0.290 2222 L C 0.279 177.158 176.870 0.015 0.000 1.247 2222 L CA 0.031 54.827 54.840 -0.074 0.000 0.876 2222 L CB 0.005 42.032 42.059 -0.053 0.000 1.123 2222 L HN 0.233 nan 8.230 nan 0.000 0.505 2223 F N 1.678 121.716 119.950 0.145 0.000 2.578 2223 F HA -0.017 4.523 4.527 0.021 0.000 0.381 2223 F C 1.014 176.886 175.800 0.120 0.000 1.069 2223 F CA -0.202 57.865 58.000 0.111 0.000 1.231 2223 F CB 0.270 39.324 39.000 0.091 0.000 1.086 2223 F HN 0.482 nan 8.300 nan 0.000 0.564 2224 Q N 3.919 123.920 119.800 0.334 0.000 2.311 2224 Q HA 0.031 4.382 4.340 0.019 0.000 0.272 2224 Q C -0.054 176.024 176.000 0.130 0.000 1.012 2224 Q CA 0.049 55.970 55.803 0.198 0.000 0.891 2224 Q CB 0.513 29.339 28.738 0.147 0.000 1.201 2224 Q HN 0.659 nan 8.270 nan 0.000 0.391 2225 D N 1.224 121.668 120.400 0.075 0.000 2.911 2225 D HA -0.172 4.480 4.640 0.019 0.000 0.199 2225 D C 1.095 177.397 176.300 0.004 0.000 1.041 2225 D CA 1.216 55.227 54.000 0.017 0.000 1.013 2225 D CB -1.481 39.327 40.800 0.013 0.000 1.093 2225 D HN 0.862 nan 8.370 nan 0.000 0.431 2226 G N 0.521 109.350 108.800 0.047 0.000 2.549 2226 G HA2 -0.157 3.815 3.960 0.019 0.000 0.222 2226 G HA3 -0.157 3.815 3.960 0.019 0.000 0.222 2226 G C 0.599 175.490 174.900 -0.016 0.000 1.100 2226 G CA 1.307 46.433 45.100 0.044 0.000 0.739 2226 G HN 0.413 nan 8.290 nan 0.000 0.577 2227 E N -1.135 119.017 120.200 -0.080 0.000 2.265 2227 E HA 0.521 4.882 4.350 0.019 0.000 0.262 2227 E C 1.149 177.675 176.600 -0.123 0.000 0.889 2227 E CA -0.044 56.281 56.400 -0.124 0.000 0.789 2227 E CB 0.958 30.517 29.700 -0.236 0.000 1.221 2227 E HN -0.065 nan 8.360 nan 0.000 0.414 2228 G N 3.463 112.214 108.800 -0.081 0.000 2.459 2228 G HA2 -0.280 3.691 3.960 0.019 0.000 0.217 2228 G HA3 -0.280 3.691 3.960 0.019 0.000 0.217 2228 G C 1.373 176.223 174.900 -0.083 0.000 1.183 2228 G CA 0.855 45.915 45.100 -0.067 0.000 0.776 2228 G HN 0.697 nan 8.290 nan 0.000 0.552 2229 A N -0.143 122.626 122.820 -0.086 0.000 1.997 2229 A HA 0.098 4.429 4.320 0.019 0.000 0.221 2229 A C 1.698 179.207 177.584 -0.125 0.000 1.172 2229 A CA 1.893 53.878 52.037 -0.086 0.000 0.645 2229 A CB -0.526 18.428 19.000 -0.077 0.000 0.813 2229 A HN 1.124 nan 8.150 nan 0.000 0.454 2230 S N -0.976 114.598 115.700 -0.210 0.000 3.866 2230 S HA -0.100 4.381 4.470 0.019 0.000 0.427 2230 S C 0.044 174.390 174.600 -0.423 0.000 0.891 2230 S CA 0.636 58.632 58.200 -0.341 0.000 1.275 2230 S CB -1.934 61.159 63.200 -0.179 0.000 0.872 2230 S HN 0.878 nan 8.310 nan 0.000 0.562 2231 T N 0.458 114.672 114.554 -0.567 0.000 2.696 2231 T HA 0.778 5.139 4.350 0.019 0.000 0.291 2231 T C -1.147 173.177 174.700 -0.626 0.000 1.095 2231 T CA -0.639 61.261 62.100 -0.333 0.000 1.026 2231 T CB 0.773 69.599 68.868 -0.070 0.000 1.390 2231 T HN 0.152 nan 8.240 nan 0.000 0.513 2232 F N 1.033 121.003 119.950 0.034 0.000 2.708 2232 F HA 0.501 5.041 4.527 0.022 0.000 0.344 2232 F C 0.633 176.467 175.800 0.057 0.000 1.447 2232 F CA -0.787 57.241 58.000 0.046 0.000 1.140 2232 F CB 0.530 39.554 39.000 0.040 0.000 1.657 2232 F HN 0.178 nan 8.300 nan 0.000 0.598 2233 R N 1.315 121.914 120.500 0.165 0.000 2.586 2233 R HA 0.707 5.058 4.340 0.019 0.000 0.336 2233 R C -0.433 175.960 176.300 0.155 0.000 1.060 2233 R CA 0.013 56.202 56.100 0.149 0.000 1.079 2233 R CB 0.186 30.550 30.300 0.105 0.000 1.317 2233 R HN 0.395 nan 8.270 nan 0.000 0.568 2234 A N -0.053 122.867 122.820 0.168 0.000 2.384 2234 A HA 0.798 5.130 4.320 0.019 0.000 0.312 2234 A C -0.973 176.769 177.584 0.262 0.000 1.113 2234 A CA -0.638 51.500 52.037 0.169 0.000 0.779 2234 A CB 0.893 19.937 19.000 0.073 0.000 1.307 2234 A HN 0.329 nan 8.150 nan 0.000 0.436 2235 F N 0.112 120.096 119.950 0.058 0.000 3.122 2235 F HA 0.766 5.304 4.527 0.019 0.000 0.325 2235 F C -1.416 174.408 175.800 0.040 0.000 1.162 2235 F CA -0.541 57.494 58.000 0.059 0.000 0.876 2235 F CB 1.107 40.145 39.000 0.063 0.000 1.429 2235 F HN 0.885 nan 8.300 nan 0.000 0.484 2236 N N -0.970 117.253 118.700 -0.796 0.000 3.355 2236 N HA 0.359 5.111 4.740 0.019 0.000 0.238 2236 N C -2.957 172.484 175.510 -0.115 0.000 1.466 2236 N CA -1.074 51.439 53.050 -0.895 0.000 0.882 2236 N CB 1.134 39.375 38.487 -0.409 0.000 1.406 2236 N HN 0.427 nan 8.380 nan 0.000 0.500 2237 P HA -0.037 nan 4.420 nan 0.000 0.215 2237 P C 0.998 178.345 177.300 0.079 0.000 1.157 2237 P CA 1.728 64.906 63.100 0.130 0.000 0.856 2237 P CB -0.136 31.612 31.700 0.079 0.000 0.786 2238 T N -0.070 114.495 114.554 0.019 0.000 2.946 2238 T HA -0.158 4.203 4.350 0.019 0.000 0.271 2238 T C 1.326 176.042 174.700 0.027 0.000 1.104 2238 T CA 0.726 62.833 62.100 0.012 0.000 1.114 2238 T CB -0.804 68.056 68.868 -0.013 0.000 0.867 2238 T HN 0.255 nan 8.240 nan 0.000 0.513 2239 Q N 0.803 120.632 119.800 0.048 0.000 2.871 2239 Q HA 0.262 4.613 4.340 0.019 0.000 0.218 2239 Q C 1.491 177.546 176.000 0.092 0.000 1.204 2239 Q CA -0.304 55.545 55.803 0.076 0.000 0.922 2239 Q CB -0.299 28.519 28.738 0.133 0.000 1.751 2239 Q HN 0.479 nan 8.270 nan 0.000 0.476 2240 A N 1.620 124.474 122.820 0.057 0.000 1.845 2240 A HA -0.234 4.097 4.320 0.019 0.000 0.215 2240 A C 1.837 179.452 177.584 0.051 0.000 1.195 2240 A CA 1.710 53.776 52.037 0.048 0.000 0.616 2240 A CB -0.331 18.685 19.000 0.026 0.000 0.832 2240 A HN 0.655 nan 8.150 nan 0.000 0.443 2241 E N -0.937 119.294 120.200 0.051 0.000 2.265 2241 E HA -0.009 4.352 4.350 0.019 0.000 0.196 2241 E C 0.480 177.146 176.600 0.111 0.000 0.996 2241 E CA 0.903 57.345 56.400 0.071 0.000 0.832 2241 E CB -0.129 29.610 29.700 0.065 0.000 0.756 2241 E HN 0.482 nan 8.360 nan 0.000 0.491 2242 E N -2.243 118.038 120.200 0.134 0.000 9.214 2242 E HA -0.176 4.186 4.350 0.019 0.000 0.465 2242 E C -0.117 176.650 176.600 0.278 0.000 1.407 2242 E CA 1.352 57.852 56.400 0.166 0.000 2.446 2242 E CB -1.084 28.668 29.700 0.087 0.000 1.031 2242 E HN 0.103 nan 8.360 nan 0.000 0.329 2243 T N 0.955 115.681 114.554 0.285 0.000 3.284 2243 T HA 0.245 4.607 4.350 0.019 0.000 0.252 2243 T C 0.000 174.811 174.700 0.184 0.000 1.144 2243 T CA 1.267 63.578 62.100 0.351 0.000 1.021 2243 T CB -1.012 68.032 68.868 0.294 0.000 0.984 2243 T HN 0.423 nan 8.240 nan 0.000 0.545 2244 Y N -1.805 118.349 120.300 -0.244 0.000 2.677 2244 Y HA 0.634 5.196 4.550 0.021 0.000 0.334 2244 Y C -0.808 174.738 175.900 -0.589 0.000 1.196 2244 Y CA -1.701 56.018 58.100 -0.634 0.000 1.059 2244 Y CB 0.936 39.183 38.460 -0.355 0.000 1.315 2244 Y HN -0.173 nan 8.280 nan 0.000 0.455 2245 S N 2.910 118.342 115.700 -0.446 0.000 2.489 2245 S HA 0.331 4.812 4.470 0.019 0.000 0.277 2245 S C 0.465 175.028 174.600 -0.062 0.000 1.230 2245 S CA -0.684 57.358 58.200 -0.263 0.000 1.053 2245 S CB 0.458 63.526 63.200 -0.220 0.000 0.955 2245 S HN 0.778 nan 8.310 nan 0.000 0.488 2246 M N 4.408 123.963 119.600 -0.076 0.000 2.394 2246 M HA 0.015 4.506 4.480 0.019 0.000 0.266 2246 M C 1.913 178.229 176.300 0.026 0.000 1.098 2246 M CA 0.883 56.187 55.300 0.007 0.000 1.149 2246 M CB -0.882 31.713 32.600 -0.008 0.000 1.369 2246 M HN 0.627 nan 8.290 nan 0.000 0.450 2247 V N -0.001 119.922 119.914 0.014 0.000 2.407 2247 V HA -0.209 3.923 4.120 0.019 0.000 0.248 2247 V C 2.319 178.429 176.094 0.027 0.000 1.055 2247 V CA 1.992 64.312 62.300 0.033 0.000 1.049 2247 V CB -1.415 30.432 31.823 0.039 0.000 0.662 2247 V HN 0.441 nan 8.190 nan 0.000 0.455 2248 T N 0.165 114.715 114.554 -0.006 0.000 2.851 2248 T HA 0.033 4.395 4.350 0.019 0.000 0.262 2248 T C 2.148 176.811 174.700 -0.062 0.000 1.043 2248 T CA 1.303 63.385 62.100 -0.029 0.000 1.140 2248 T CB -0.339 68.484 68.868 -0.075 0.000 0.872 2248 T HN 0.542 nan 8.240 nan 0.000 0.446 2249 A N 2.971 125.726 122.820 -0.108 0.000 1.849 2249 A HA -0.266 4.066 4.320 0.019 0.000 0.217 2249 A C 2.207 179.749 177.584 -0.069 0.000 1.202 2249 A CA 2.153 54.065 52.037 -0.208 0.000 0.629 2249 A CB -1.174 17.776 19.000 -0.083 0.000 0.834 2249 A HN 0.499 nan 8.150 nan 0.000 0.447 2250 N N 0.134 118.879 118.700 0.077 0.000 2.055 2250 N HA -0.285 4.466 4.740 0.019 0.000 0.200 2250 N C 1.912 177.523 175.510 0.168 0.000 1.037 2250 N CA 2.504 55.654 53.050 0.166 0.000 0.881 2250 N CB -0.589 37.978 38.487 0.133 0.000 1.075 2250 N HN 0.556 nan 8.380 nan 0.000 0.470 2251 R N -1.151 119.418 120.500 0.114 0.000 2.105 2251 R HA -0.156 4.196 4.340 0.019 0.000 0.239 2251 R C 2.412 178.784 176.300 0.119 0.000 1.135 2251 R CA 1.526 57.690 56.100 0.107 0.000 0.967 2251 R CB -0.544 29.803 30.300 0.079 0.000 0.861 2251 R HN 0.340 nan 8.270 nan 0.000 0.442 2252 F N -0.259 119.634 119.950 -0.095 0.000 2.026 2252 F HA -0.234 4.303 4.527 0.016 0.000 0.296 2252 F C 1.741 177.538 175.800 -0.004 0.000 1.133 2252 F CA 1.910 59.798 58.000 -0.187 0.000 1.188 2252 F CB -0.620 38.068 39.000 -0.519 0.000 0.968 2252 F HN 0.081 nan 8.300 nan 0.000 0.476 2253 W N -0.426 121.016 121.300 0.237 0.000 2.332 2253 W HA -0.228 4.443 4.660 0.018 0.000 0.321 2253 W C 2.994 179.580 176.519 0.111 0.000 1.219 2253 W CA 0.799 58.230 57.345 0.143 0.000 1.277 2253 W CB -1.169 28.385 29.460 0.156 0.000 1.161 2253 W HN -0.063 nan 8.180 nan 0.000 0.476 2254 S N 0.263 116.185 115.700 0.370 0.000 2.389 2254 S HA -0.317 4.164 4.470 0.019 0.000 0.231 2254 S C 1.624 176.316 174.600 0.153 0.000 1.052 2254 S CA 1.981 60.321 58.200 0.233 0.000 1.053 2254 S CB -0.367 62.936 63.200 0.172 0.000 0.886 2254 S HN 0.354 nan 8.310 nan 0.000 0.456 2255 Q N -0.791 119.071 119.800 0.104 0.000 2.331 2255 Q HA 0.180 4.532 4.340 0.019 0.000 0.203 2255 Q C 1.921 177.925 176.000 0.007 0.000 0.944 2255 Q CA 0.718 56.540 55.803 0.032 0.000 0.892 2255 Q CB 0.090 28.823 28.738 -0.009 0.000 0.983 2255 Q HN 0.559 nan 8.270 nan 0.000 0.482 2256 I N -1.185 119.409 120.570 0.039 0.000 2.499 2256 I HA -0.101 4.080 4.170 0.019 0.000 0.243 2256 I C 1.618 177.829 176.117 0.156 0.000 1.085 2256 I CA 0.634 61.962 61.300 0.047 0.000 1.422 2256 I CB 0.063 38.077 38.000 0.022 0.000 1.165 2256 I HN 0.098 nan 8.210 nan 0.000 0.440 2257 F N 0.873 120.877 119.950 0.089 0.000 2.446 2257 F HA 0.222 4.751 4.527 0.004 0.000 0.292 2257 F C 1.677 177.486 175.800 0.016 0.000 1.096 2257 F CA 1.049 59.061 58.000 0.020 0.000 1.438 2257 F CB 0.631 39.600 39.000 -0.051 0.000 1.107 2257 F HN 0.206 nan 8.300 nan 0.000 0.546 2258 G N 1.117 110.034 108.800 0.197 0.000 2.254 2258 G HA2 -0.247 3.725 3.960 0.019 0.000 0.225 2258 G HA3 -0.247 3.725 3.960 0.019 0.000 0.225 2258 G C 0.150 175.150 174.900 0.167 0.000 1.003 2258 G CA 0.138 45.294 45.100 0.092 0.000 0.622 2258 G HN 0.422 nan 8.290 nan 0.000 0.507 2259 I N 0.484 121.249 120.570 0.325 0.000 2.934 2259 I HA 0.706 4.888 4.170 0.019 0.000 0.306 2259 I C -0.960 175.308 176.117 0.252 0.000 1.110 2259 I CA -0.648 60.803 61.300 0.253 0.000 1.019 2259 I CB 2.170 40.308 38.000 0.231 0.000 1.227 2259 I HN 0.993 nan 8.210 nan 0.000 0.434 2260 A N 6.403 129.349 122.820 0.210 0.000 2.333 2260 A HA 0.210 4.541 4.320 0.019 0.000 0.298 2260 A C -1.169 176.594 177.584 0.299 0.000 1.239 2260 A CA -0.373 51.815 52.037 0.251 0.000 0.896 2260 A CB -0.478 18.741 19.000 0.365 0.000 1.421 2260 A HN 0.662 nan 8.150 nan 0.000 0.433 2261 F N 3.003 123.006 119.950 0.089 0.000 2.519 2261 F HA 0.262 4.799 4.527 0.017 0.000 0.375 2261 F C 0.522 176.407 175.800 0.141 0.000 1.084 2261 F CA 0.188 58.237 58.000 0.082 0.000 1.147 2261 F CB 0.698 39.736 39.000 0.063 0.000 1.088 2261 F HN 0.500 nan 8.300 nan 0.000 0.555 2262 S N 5.492 121.320 115.700 0.213 0.000 2.695 2262 S HA 0.312 4.793 4.470 0.019 0.000 0.275 2262 S C -0.648 173.907 174.600 -0.075 0.000 1.203 2262 S CA -0.715 57.538 58.200 0.089 0.000 1.061 2262 S CB 0.107 63.381 63.200 0.124 0.000 1.152 2262 S HN 0.740 nan 8.310 nan 0.000 0.495 2263 N N 1.681 120.308 118.700 -0.123 0.000 2.725 2263 N HA 0.102 4.853 4.740 0.019 0.000 0.225 2263 N C 0.476 175.995 175.510 0.015 0.000 1.465 2263 N CA -0.420 52.541 53.050 -0.147 0.000 0.830 2263 N CB 0.562 38.788 38.487 -0.434 0.000 1.460 2263 N HN 0.074 nan 8.380 nan 0.000 0.538 2264 K N 0.948 121.407 120.400 0.098 0.000 2.804 2264 K HA -0.343 3.988 4.320 0.019 0.000 0.201 2264 K C 1.860 178.641 176.600 0.302 0.000 0.908 2264 K CA 2.200 58.620 56.287 0.223 0.000 0.855 2264 K CB -0.343 32.268 32.500 0.185 0.000 1.395 2264 K HN 0.640 nan 8.250 nan 0.000 0.537 2265 R N -0.393 120.230 120.500 0.205 0.000 2.120 2265 R HA -0.111 4.240 4.340 0.019 0.000 0.234 2265 R C 2.390 178.885 176.300 0.325 0.000 1.123 2265 R CA 1.529 57.766 56.100 0.228 0.000 0.975 2265 R CB -0.798 29.596 30.300 0.156 0.000 0.866 2265 R HN 0.522 nan 8.270 nan 0.000 0.446 2266 W N 1.539 122.901 121.300 0.102 0.000 2.443 2266 W HA -0.078 4.592 4.660 0.018 0.000 0.296 2266 W C 1.435 178.062 176.519 0.180 0.000 1.202 2266 W CA 0.320 57.754 57.345 0.149 0.000 1.312 2266 W CB -0.137 29.318 29.460 -0.010 0.000 1.120 2266 W HN 0.109 nan 8.180 nan 0.000 0.536 2267 L N 1.294 122.538 121.223 0.034 0.000 1.997 2267 L HA -0.297 4.054 4.340 0.019 0.000 0.216 2267 L C 2.525 179.246 176.870 -0.248 0.000 1.074 2267 L CA 2.597 57.351 54.840 -0.143 0.000 0.763 2267 L CB -1.358 40.673 42.059 -0.046 0.000 0.890 2267 L HN -0.004 nan 8.230 nan 0.000 0.434 2268 H N -2.500 116.567 119.070 -0.004 0.000 2.389 2268 H HA -0.158 4.410 4.556 0.021 0.000 0.299 2268 H C 1.920 177.293 175.328 0.076 0.000 1.081 2268 H CA 1.883 57.923 56.048 -0.013 0.000 1.345 2268 H CB -0.367 29.405 29.762 0.016 0.000 1.393 2268 H HN 0.362 nan 8.280 nan 0.000 0.520 2269 F N 0.128 120.075 119.950 -0.004 0.000 2.069 2269 F HA -0.306 4.234 4.527 0.021 0.000 0.298 2269 F C 2.069 177.750 175.800 -0.198 0.000 1.113 2269 F CA 0.791 58.756 58.000 -0.059 0.000 1.214 2269 F CB -0.283 38.691 39.000 -0.043 0.000 0.978 2269 F HN 0.161 nan 8.300 nan 0.000 0.474 2270 F N 1.444 120.928 119.950 -0.777 0.000 2.225 2270 F HA -0.289 4.247 4.527 0.015 0.000 0.302 2270 F C 1.893 177.476 175.800 -0.362 0.000 1.068 2270 F CA 1.672 59.128 58.000 -0.907 0.000 1.327 2270 F CB -0.407 37.949 39.000 -1.074 0.000 1.043 2270 F HN -0.008 nan 8.300 nan 0.000 0.506 2271 M N -0.985 118.538 119.600 -0.129 0.000 2.618 2271 M HA -0.017 4.474 4.480 0.019 0.000 0.240 2271 M C 1.475 177.745 176.300 -0.049 0.000 1.123 2271 M CA 0.327 55.567 55.300 -0.101 0.000 1.060 2271 M CB -0.008 32.530 32.600 -0.103 0.000 1.535 2271 M HN 0.284 nan 8.290 nan 0.000 0.507 2272 L N -1.013 120.217 121.223 0.013 0.000 2.362 2272 L HA 0.161 4.512 4.340 0.019 0.000 0.204 2272 L C 1.835 178.736 176.870 0.052 0.000 1.060 2272 L CA 1.076 55.981 54.840 0.108 0.000 0.827 2272 L CB -0.493 41.749 42.059 0.304 0.000 1.027 2272 L HN 0.076 nan 8.230 nan 0.000 0.474 2273 F N 0.086 119.852 119.950 -0.308 0.000 2.025 2273 F HA -0.257 4.281 4.527 0.018 0.000 0.297 2273 F C 2.278 177.853 175.800 -0.374 0.000 1.132 2273 F CA 2.243 59.989 58.000 -0.422 0.000 1.191 2273 F CB -0.900 37.636 39.000 -0.773 0.000 0.963 2273 F HN -0.069 nan 8.300 nan 0.000 0.481 2274 V N 1.136 120.761 119.914 -0.482 0.000 2.217 2274 V HA -0.327 3.805 4.120 0.019 0.000 0.248 2274 V C -0.081 175.833 176.094 -0.299 0.000 1.050 2274 V CA 2.929 64.939 62.300 -0.483 0.000 1.007 2274 V CB -2.115 29.461 31.823 -0.412 0.000 0.639 2274 V HN 0.218 nan 8.190 nan 0.000 0.452 2275 P HA -0.132 nan 4.420 nan 0.000 0.210 2275 P C 1.920 179.171 177.300 -0.081 0.000 1.185 2275 P CA 1.753 64.787 63.100 -0.110 0.000 0.924 2275 P CB -0.225 31.439 31.700 -0.061 0.000 0.786 2276 V N -0.651 119.244 119.914 -0.031 0.000 2.282 2276 V HA -0.285 3.846 4.120 0.019 0.000 0.249 2276 V C 2.348 178.487 176.094 0.075 0.000 1.057 2276 V CA 2.681 65.016 62.300 0.058 0.000 1.032 2276 V CB -1.951 29.941 31.823 0.114 0.000 0.645 2276 V HN 0.221 nan 8.190 nan 0.000 0.447 2277 T N 0.193 114.687 114.554 -0.100 0.000 2.803 2277 T HA -0.137 4.225 4.350 0.019 0.000 0.269 2277 T C 1.831 176.462 174.700 -0.116 0.000 1.052 2277 T CA 1.511 63.501 62.100 -0.184 0.000 1.136 2277 T CB -0.616 67.894 68.868 -0.597 0.000 0.864 2277 T HN 0.675 nan 8.240 nan 0.000 0.467 2278 G N 1.714 110.426 108.800 -0.147 0.000 2.484 2278 G HA2 -0.138 3.833 3.960 0.019 0.000 0.215 2278 G HA3 -0.138 3.833 3.960 0.019 0.000 0.215 2278 G C 1.423 176.296 174.900 -0.045 0.000 1.219 2278 G CA 0.451 45.480 45.100 -0.119 0.000 0.791 2278 G HN 0.443 nan 8.290 nan 0.000 0.550 2279 L N -1.183 120.023 121.223 -0.028 0.000 2.197 2279 L HA -0.169 4.183 4.340 0.019 0.000 0.215 2279 L C 2.710 179.540 176.870 -0.066 0.000 1.095 2279 L CA 1.269 56.078 54.840 -0.052 0.000 0.764 2279 L CB -0.521 41.478 42.059 -0.100 0.000 0.897 2279 L HN 0.355 nan 8.230 nan 0.000 0.436 2280 W N -0.388 120.864 121.300 -0.080 0.000 2.388 2280 W HA -0.154 4.517 4.660 0.017 0.000 0.294 2280 W C 2.726 179.193 176.519 -0.088 0.000 1.212 2280 W CA 0.752 58.057 57.345 -0.068 0.000 1.271 2280 W CB -0.138 29.275 29.460 -0.078 0.000 1.126 2280 W HN 0.026 nan 8.180 nan 0.000 0.535 2281 M N -0.668 118.971 119.600 0.064 0.000 2.066 2281 M HA -0.211 4.281 4.480 0.019 0.000 0.259 2281 M C 2.342 178.639 176.300 -0.005 0.000 1.074 2281 M CA 1.970 57.189 55.300 -0.136 0.000 1.114 2281 M CB -2.051 30.410 32.600 -0.232 0.000 1.306 2281 M HN 0.010 nan 8.290 nan 0.000 0.411 2282 S N 0.516 116.249 115.700 0.056 0.000 2.389 2282 S HA -0.198 4.283 4.470 0.019 0.000 0.231 2282 S C 1.976 176.755 174.600 0.298 0.000 1.052 2282 S CA 1.956 60.283 58.200 0.211 0.000 1.053 2282 S CB -0.271 63.021 63.200 0.153 0.000 0.886 2282 S HN 0.513 nan 8.310 nan 0.000 0.456 2283 A N 0.841 123.729 122.820 0.113 0.000 1.968 2283 A HA 0.145 4.476 4.320 0.019 0.000 0.217 2283 A C 2.133 179.804 177.584 0.144 0.000 1.169 2283 A CA 1.148 53.218 52.037 0.056 0.000 0.638 2283 A CB -0.573 18.333 19.000 -0.157 0.000 0.812 2283 A HN 0.650 nan 8.150 nan 0.000 0.446 2284 I N -0.286 120.388 120.570 0.174 0.000 2.163 2284 I HA -0.193 3.988 4.170 0.019 0.000 0.240 2284 I C 2.774 179.150 176.117 0.432 0.000 1.081 2284 I CA 1.200 62.644 61.300 0.240 0.000 1.353 2284 I CB -0.968 37.092 38.000 0.101 0.000 1.054 2284 I HN 0.384 nan 8.210 nan 0.000 0.407 2285 G N 0.728 109.914 108.800 0.642 0.000 2.550 2285 G HA2 -0.231 3.740 3.960 0.019 0.000 0.222 2285 G HA3 -0.231 3.740 3.960 0.019 0.000 0.222 2285 G C 1.657 176.972 174.900 0.691 0.000 1.113 2285 G CA 1.184 46.751 45.100 0.778 0.000 0.748 2285 G HN 0.290 nan 8.290 nan 0.000 0.585 2286 V N 0.278 120.483 119.914 0.484 0.000 2.591 2286 V HA -0.081 4.050 4.120 0.019 0.000 0.249 2286 V C 2.900 179.071 176.094 0.129 0.000 1.053 2286 V CA 1.120 63.493 62.300 0.121 0.000 1.068 2286 V CB 0.258 32.065 31.823 -0.027 0.000 0.689 2286 V HN 0.265 nan 8.190 nan 0.000 0.462 2287 V N 1.124 121.145 119.914 0.179 0.000 2.913 2287 V HA -0.103 4.029 4.120 0.019 0.000 0.260 2287 V C 2.471 178.659 176.094 0.155 0.000 1.098 2287 V CA 1.812 64.208 62.300 0.160 0.000 1.121 2287 V CB -1.335 30.582 31.823 0.156 0.000 0.714 2287 V HN 0.583 nan 8.190 nan 0.000 0.487 2288 G N 0.294 109.200 108.800 0.177 0.000 2.404 2288 G HA2 -0.124 3.848 3.960 0.019 0.000 0.214 2288 G HA3 -0.124 3.848 3.960 0.019 0.000 0.214 2288 G C 1.488 176.434 174.900 0.076 0.000 1.189 2288 G CA 0.529 45.709 45.100 0.134 0.000 0.789 2288 G HN 0.470 nan 8.290 nan 0.000 0.533 2289 L N 0.964 122.207 121.223 0.032 0.000 2.191 2289 L HA -0.037 4.314 4.340 0.019 0.000 0.212 2289 L C 3.311 180.233 176.870 0.085 0.000 1.103 2289 L CA 0.761 55.525 54.840 -0.127 0.000 0.769 2289 L CB -0.482 41.268 42.059 -0.514 0.000 0.908 2289 L HN 0.295 nan 8.230 nan 0.000 0.438 2290 A N 0.274 123.230 122.820 0.227 0.000 2.076 2290 A HA -0.118 4.213 4.320 0.019 0.000 0.220 2290 A C 1.854 179.448 177.584 0.016 0.000 1.160 2290 A CA 1.272 53.424 52.037 0.192 0.000 0.653 2290 A CB -0.515 18.597 19.000 0.187 0.000 0.801 2290 A HN 0.464 nan 8.150 nan 0.000 0.455 2291 L N -0.579 120.665 121.223 0.035 0.000 2.984 2291 L HA 0.167 4.518 4.340 0.019 0.000 0.246 2291 L C 0.094 176.969 176.870 0.009 0.000 1.268 2291 L CA -0.399 54.447 54.840 0.010 0.000 1.054 2291 L CB -0.405 41.671 42.059 0.029 0.000 1.393 2291 L HN 0.306 nan 8.230 nan 0.000 0.532 2292 N N 0.866 119.573 118.700 0.011 0.000 2.644 2292 N HA -0.232 4.520 4.740 0.019 0.000 0.248 2292 N C 0.042 175.580 175.510 0.046 0.000 1.150 2292 N CA 0.856 53.934 53.050 0.045 0.000 0.727 2292 N CB -0.662 37.839 38.487 0.024 0.000 1.091 2292 N HN 0.269 nan 8.380 nan 0.000 0.556 2293 L N 1.287 122.529 121.223 0.031 0.000 2.295 2293 L HA 0.214 4.565 4.340 0.019 0.000 0.288 2293 L C 0.721 177.615 176.870 0.040 0.000 1.079 2293 L CA 0.145 55.009 54.840 0.040 0.000 0.830 2293 L CB 0.370 42.452 42.059 0.039 0.000 1.200 2293 L HN 0.060 nan 8.230 nan 0.000 0.438 2294 R N 1.980 122.522 120.500 0.071 0.000 2.922 2294 R HA 0.674 5.026 4.340 0.019 0.000 0.256 2294 R C -0.696 175.670 176.300 0.111 0.000 1.138 2294 R CA -0.997 55.158 56.100 0.091 0.000 0.995 2294 R CB 1.239 31.622 30.300 0.139 0.000 1.226 2294 R HN 0.288 nan 8.270 nan 0.000 0.481 2295 S N 0.974 116.752 115.700 0.131 0.000 2.150 2295 S HA 0.145 4.626 4.470 0.019 0.000 0.171 2295 S C -1.288 173.455 174.600 0.239 0.000 1.620 2295 S CA -0.422 57.866 58.200 0.147 0.000 1.190 2295 S CB 0.116 63.352 63.200 0.060 0.000 1.102 2295 S HN 0.620 nan 8.310 nan 0.000 0.464 2296 Y N 2.649 123.008 120.300 0.098 0.000 2.612 2296 Y HA 0.297 4.857 4.550 0.018 0.000 0.250 2296 Y C -0.496 175.472 175.900 0.112 0.000 1.175 2296 Y CA -0.896 57.248 58.100 0.074 0.000 1.205 2296 Y CB 0.167 38.659 38.460 0.053 0.000 1.201 2296 Y HN 0.505 nan 8.280 nan 0.000 0.532 2297 D N -1.038 119.460 120.400 0.164 0.000 2.655 2297 D HA 0.163 4.814 4.640 0.019 0.000 0.229 2297 D C -1.506 175.067 176.300 0.456 0.000 1.229 2297 D CA -0.408 53.693 54.000 0.167 0.000 0.807 2297 D CB 0.981 41.803 40.800 0.038 0.000 1.514 2297 D HN -0.091 nan 8.370 nan 0.000 0.444 2298 F N 1.530 121.478 119.950 -0.002 0.000 2.449 2298 F HA 0.364 4.902 4.527 0.018 0.000 0.329 2298 F C 1.752 177.466 175.800 -0.144 0.000 1.245 2298 F CA -1.482 56.389 58.000 -0.215 0.000 1.193 2298 F CB -0.223 38.365 39.000 -0.686 0.000 1.425 2298 F HN 0.408 nan 8.300 nan 0.000 0.544 2299 I N 0.456 121.067 120.570 0.069 0.000 2.322 2299 I HA -0.546 3.636 4.170 0.019 0.000 0.235 2299 I C 2.584 178.695 176.117 -0.009 0.000 0.967 2299 I CA 2.366 63.676 61.300 0.017 0.000 1.260 2299 I CB -0.553 37.438 38.000 -0.016 0.000 0.968 2299 I HN 0.506 nan 8.210 nan 0.000 0.398 2300 S N 0.484 116.149 115.700 -0.058 0.000 2.381 2300 S HA -0.331 4.150 4.470 0.019 0.000 0.230 2300 S C 1.847 176.420 174.600 -0.044 0.000 1.052 2300 S CA 1.883 60.041 58.200 -0.071 0.000 1.068 2300 S CB -0.680 62.453 63.200 -0.111 0.000 0.918 2300 S HN 0.532 nan 8.310 nan 0.000 0.448 2301 Q N 0.674 120.469 119.800 -0.009 0.000 2.020 2301 Q HA -0.039 4.312 4.340 0.019 0.000 0.198 2301 Q C 2.435 178.514 176.000 0.130 0.000 0.974 2301 Q CA 1.154 57.001 55.803 0.074 0.000 0.829 2301 Q CB -0.464 28.294 28.738 0.033 0.000 0.894 2301 Q HN 0.592 nan 8.270 nan 0.000 0.433 2302 E N 1.134 121.426 120.200 0.153 0.000 2.068 2302 E HA -0.209 4.152 4.350 0.019 0.000 0.207 2302 E C 2.174 178.810 176.600 0.060 0.000 1.032 2302 E CA 1.095 57.578 56.400 0.138 0.000 0.839 2302 E CB -0.548 29.211 29.700 0.098 0.000 0.758 2302 E HN 0.367 nan 8.360 nan 0.000 0.457 2303 I N 0.437 121.017 120.570 0.016 0.000 2.113 2303 I HA -0.316 3.865 4.170 0.019 0.000 0.242 2303 I C 2.758 178.845 176.117 -0.051 0.000 1.064 2303 I CA 1.606 62.894 61.300 -0.020 0.000 1.320 2303 I CB -0.296 37.682 38.000 -0.037 0.000 1.028 2303 I HN 0.040 nan 8.210 nan 0.000 0.406 2304 R N 0.838 121.276 120.500 -0.103 0.000 2.280 2304 R HA -0.031 4.320 4.340 0.019 0.000 0.207 2304 R C 2.065 178.267 176.300 -0.163 0.000 1.043 2304 R CA 0.900 56.871 56.100 -0.215 0.000 1.006 2304 R CB -0.023 30.023 30.300 -0.424 0.000 0.885 2304 R HN 0.389 nan 8.270 nan 0.000 0.467 2305 A N -0.106 122.718 122.820 0.007 0.000 2.072 2305 A HA 0.104 4.436 4.320 0.019 0.000 0.216 2305 A C 2.011 179.643 177.584 0.081 0.000 1.156 2305 A CA 1.078 53.207 52.037 0.154 0.000 0.701 2305 A CB -0.093 19.039 19.000 0.222 0.000 0.816 2305 A HN 0.434 nan 8.150 nan 0.000 0.458 2306 A N -0.370 122.467 122.820 0.028 0.000 1.956 2306 A HA 0.104 4.435 4.320 0.019 0.000 0.212 2306 A C 1.725 179.307 177.584 -0.004 0.000 1.188 2306 A CA 0.907 52.950 52.037 0.011 0.000 0.675 2306 A CB -0.199 18.802 19.000 0.001 0.000 0.845 2306 A HN 0.483 nan 8.150 nan 0.000 0.455 2307 E N -0.451 119.735 120.200 -0.023 0.000 2.418 2307 E HA -0.065 4.297 4.350 0.019 0.000 0.197 2307 E C -0.557 176.027 176.600 -0.027 0.000 1.026 2307 E CA 0.655 57.036 56.400 -0.032 0.000 0.862 2307 E CB 0.134 29.802 29.700 -0.053 0.000 0.799 2307 E HN 0.552 nan 8.360 nan 0.000 0.518 2308 D N -0.831 119.560 120.400 -0.015 0.000 2.970 2308 D HA 0.078 4.729 4.640 0.019 0.000 0.230 2308 D C -2.254 174.085 176.300 0.064 0.000 1.276 2308 D CA -1.873 52.132 54.000 0.008 0.000 0.910 2308 D CB 1.746 42.529 40.800 -0.029 0.000 1.590 2308 D HN -0.277 nan 8.370 nan 0.000 0.551 2309 P HA 0.133 nan 4.420 nan 0.000 0.251 2309 P C -0.058 177.281 177.300 0.065 0.000 1.223 2309 P CA 0.307 63.440 63.100 0.056 0.000 0.796 2309 P CB 0.531 32.246 31.700 0.025 0.000 1.068 2310 E N -0.404 119.849 120.200 0.087 0.000 2.451 2310 E HA 0.139 4.500 4.350 0.019 0.000 0.194 2310 E C -0.483 176.199 176.600 0.137 0.000 1.027 2310 E CA -0.368 56.079 56.400 0.078 0.000 0.914 2310 E CB -0.061 29.675 29.700 0.059 0.000 1.054 2310 E HN 0.233 nan 8.360 nan 0.000 0.461 2311 F N 1.942 121.887 119.950 -0.008 0.000 2.477 2311 F HA 0.385 4.924 4.527 0.020 0.000 0.335 2311 F C -0.790 175.010 175.800 0.000 0.000 1.130 2311 F CA -0.689 57.311 58.000 0.000 0.000 0.948 2311 F CB 1.282 40.286 39.000 0.007 0.000 1.154 2311 F HN -0.216 nan 8.300 nan 0.000 0.439 2312 E N 4.511 124.335 120.200 -0.626 0.000 2.321 2312 E HA 0.527 4.888 4.350 0.019 0.000 0.278 2312 E C -1.634 174.641 176.600 -0.541 0.000 0.902 2312 E CA -0.679 55.398 56.400 -0.539 0.000 0.758 2312 E CB 2.070 31.610 29.700 -0.267 0.000 1.213 2312 E HN 0.726 nan 8.360 nan 0.000 0.426 2313 T N 0.020 114.333 114.554 -0.403 0.000 2.887 2313 T HA 0.366 4.727 4.350 0.019 0.000 0.292 2313 T C 0.504 175.161 174.700 -0.072 0.000 1.087 2313 T CA -0.683 61.314 62.100 -0.171 0.000 1.009 2313 T CB 0.551 69.381 68.868 -0.064 0.000 1.203 2313 T HN 0.339 nan 8.240 nan 0.000 0.518 2314 F N -0.100 119.818 119.950 -0.054 0.000 2.307 2314 F HA 0.026 4.568 4.527 0.025 0.000 0.301 2314 F C 2.187 177.962 175.800 -0.043 0.000 1.076 2314 F CA 1.071 59.042 58.000 -0.047 0.000 1.383 2314 F CB -0.761 38.221 39.000 -0.030 0.000 1.055 2314 F HN 0.766 nan 8.300 nan 0.000 0.526 2315 Y N 1.335 121.661 120.300 0.043 0.000 2.053 2315 Y HA -0.354 4.207 4.550 0.017 0.000 0.277 2315 Y C 2.449 178.295 175.900 -0.090 0.000 1.159 2315 Y CA 2.341 60.398 58.100 -0.071 0.000 1.125 2315 Y CB -1.112 37.292 38.460 -0.094 0.000 0.969 2315 Y HN 0.024 nan 8.280 nan 0.000 0.492 2316 T N 1.354 115.807 114.554 -0.169 0.000 2.569 2316 T HA -0.229 4.132 4.350 0.019 0.000 0.263 2316 T C 1.769 176.323 174.700 -0.243 0.000 1.074 2316 T CA 2.093 64.043 62.100 -0.250 0.000 1.176 2316 T CB -0.418 68.382 68.868 -0.113 0.000 0.863 2316 T HN 0.326 nan 8.240 nan 0.000 0.410 2317 K N 1.297 121.570 120.400 -0.211 0.000 2.127 2317 K HA -0.221 4.110 4.320 0.019 0.000 0.212 2317 K C 2.215 178.717 176.600 -0.163 0.000 1.050 2317 K CA 1.662 57.825 56.287 -0.206 0.000 0.929 2317 K CB -0.481 31.847 32.500 -0.286 0.000 0.715 2317 K HN 0.338 nan 8.250 nan 0.000 0.457 2318 N N 1.224 119.833 118.700 -0.151 0.000 2.106 2318 N HA -0.114 4.637 4.740 0.019 0.000 0.188 2318 N C 1.940 177.362 175.510 -0.148 0.000 1.029 2318 N CA 1.012 53.989 53.050 -0.120 0.000 0.848 2318 N CB -0.431 37.999 38.487 -0.094 0.000 1.007 2318 N HN 0.172 nan 8.380 nan 0.000 0.423 2319 L N 0.912 121.987 121.223 -0.247 0.000 2.263 2319 L HA -0.139 4.213 4.340 0.019 0.000 0.216 2319 L C 2.147 178.935 176.870 -0.137 0.000 1.111 2319 L CA 0.656 55.366 54.840 -0.216 0.000 0.773 2319 L CB -0.370 41.461 42.059 -0.381 0.000 0.906 2319 L HN 0.163 nan 8.230 nan 0.000 0.439 2320 L N -0.882 120.259 121.223 -0.138 0.000 2.068 2320 L HA -0.166 4.185 4.340 0.019 0.000 0.204 2320 L C 2.461 179.278 176.870 -0.089 0.000 1.076 2320 L CA 0.845 55.621 54.840 -0.107 0.000 0.753 2320 L CB -0.295 41.700 42.059 -0.107 0.000 0.910 2320 L HN 0.220 nan 8.230 nan 0.000 0.439 2321 L N -0.324 120.845 121.223 -0.091 0.000 2.042 2321 L HA -0.251 4.100 4.340 0.019 0.000 0.210 2321 L C 2.407 179.229 176.870 -0.081 0.000 1.076 2321 L CA 1.103 55.893 54.840 -0.084 0.000 0.749 2321 L CB -0.956 41.058 42.059 -0.074 0.000 0.893 2321 L HN 0.371 nan 8.230 nan 0.000 0.432 2322 N N 0.335 118.989 118.700 -0.076 0.000 2.011 2322 N HA -0.269 4.482 4.740 0.019 0.000 0.199 2322 N C 1.856 177.288 175.510 -0.130 0.000 1.047 2322 N CA 1.820 54.813 53.050 -0.095 0.000 0.863 2322 N CB -0.441 38.008 38.487 -0.063 0.000 1.056 2322 N HN 0.278 nan 8.380 nan 0.000 0.427 2323 E N 0.596 120.728 120.200 -0.113 0.000 2.187 2323 E HA -0.134 4.227 4.350 0.019 0.000 0.199 2323 E C 1.869 178.427 176.600 -0.070 0.000 1.004 2323 E CA 1.609 57.933 56.400 -0.127 0.000 0.813 2323 E CB -0.827 28.814 29.700 -0.099 0.000 0.736 2323 E HN 0.455 nan 8.360 nan 0.000 0.468 2324 G N 0.209 108.989 108.800 -0.032 0.000 2.408 2324 G HA2 -0.204 3.767 3.960 0.019 0.000 0.217 2324 G HA3 -0.204 3.767 3.960 0.019 0.000 0.217 2324 G C 1.684 176.615 174.900 0.052 0.000 1.150 2324 G CA 0.929 46.055 45.100 0.043 0.000 0.776 2324 G HN 0.341 nan 8.290 nan 0.000 0.542 2325 I N 0.132 120.678 120.570 -0.040 0.000 2.142 2325 I HA -0.166 4.015 4.170 0.019 0.000 0.240 2325 I C 3.037 179.150 176.117 -0.006 0.000 1.078 2325 I CA 1.101 62.390 61.300 -0.019 0.000 1.343 2325 I CB -0.281 37.693 38.000 -0.043 0.000 1.046 2325 I HN 0.055 nan 8.210 nan 0.000 0.405 2326 R N 0.846 121.241 120.500 -0.176 0.000 2.080 2326 R HA -0.181 4.170 4.340 0.019 0.000 0.236 2326 R C 2.495 178.709 176.300 -0.144 0.000 1.137 2326 R CA 1.732 57.623 56.100 -0.350 0.000 0.943 2326 R CB -0.651 29.276 30.300 -0.621 0.000 0.846 2326 R HN 0.407 nan 8.270 nan 0.000 0.431 2327 A N 0.577 123.352 122.820 -0.076 0.000 1.865 2327 A HA -0.184 4.148 4.320 0.019 0.000 0.217 2327 A C 1.794 179.422 177.584 0.073 0.000 1.191 2327 A CA 1.452 53.432 52.037 -0.096 0.000 0.623 2327 A CB -0.911 17.979 19.000 -0.185 0.000 0.826 2327 A HN 0.441 nan 8.150 nan 0.000 0.444 2328 W N -0.884 120.401 121.300 -0.024 0.000 2.436 2328 W HA 0.102 4.775 4.660 0.021 0.000 0.284 2328 W C 2.316 178.875 176.519 0.067 0.000 1.225 2328 W CA 1.123 58.492 57.345 0.039 0.000 1.271 2328 W CB -0.412 29.056 29.460 0.014 0.000 1.114 2328 W HN 0.347 nan 8.180 nan 0.000 0.559 2329 M N 0.131 119.905 119.600 0.290 0.000 2.541 2329 M HA 0.225 4.717 4.480 0.019 0.000 0.252 2329 M C 1.691 178.116 176.300 0.208 0.000 1.125 2329 M CA 1.081 56.520 55.300 0.232 0.000 1.091 2329 M CB 0.003 32.736 32.600 0.222 0.000 1.420 2329 M HN -0.036 nan 8.290 nan 0.000 0.486 2330 A N 0.968 123.872 122.820 0.140 0.000 2.123 2330 A HA 0.145 4.476 4.320 0.019 0.000 0.214 2330 A C -1.052 176.506 177.584 -0.044 0.000 1.152 2330 A CA 0.110 52.177 52.037 0.049 0.000 0.728 2330 A CB -1.101 17.808 19.000 -0.152 0.000 0.814 2330 A HN 0.457 nan 8.150 nan 0.000 0.464 2331 P HA -0.022 nan 4.420 nan 0.000 0.222 2331 P C 1.454 178.844 177.300 0.149 0.000 1.157 2331 P CA 0.930 64.079 63.100 0.082 0.000 0.816 2331 P CB 0.195 31.886 31.700 -0.015 0.000 0.813 2332 Q N -0.694 119.190 119.800 0.140 0.000 2.339 2332 Q HA -0.036 4.315 4.340 0.019 0.000 0.205 2332 Q C 1.843 177.935 176.000 0.153 0.000 0.925 2332 Q CA 0.653 56.539 55.803 0.139 0.000 0.898 2332 Q CB -0.252 28.568 28.738 0.136 0.000 1.013 2332 Q HN 0.022 nan 8.270 nan 0.000 0.504 2333 D N -0.054 120.451 120.400 0.174 0.000 2.317 2333 D HA -0.074 4.577 4.640 0.019 0.000 0.211 2333 D C -0.274 176.116 176.300 0.151 0.000 0.966 2333 D CA 0.705 54.817 54.000 0.187 0.000 0.876 2333 D CB 0.461 41.402 40.800 0.234 0.000 0.927 2333 D HN 0.258 nan 8.370 nan 0.000 0.519 2334 Q N -0.189 119.722 119.800 0.186 0.000 3.090 2334 Q HA 0.215 4.566 4.340 0.019 0.000 0.241 2334 Q C -2.133 174.066 176.000 0.331 0.000 0.958 2334 Q CA -1.411 54.510 55.803 0.197 0.000 0.715 2334 Q CB 2.220 31.301 28.738 0.572 0.000 1.298 2334 Q HN -0.020 nan 8.270 nan 0.000 0.468 2335 P HA -0.244 nan 4.420 nan 0.000 0.219 2335 P C 0.671 178.038 177.300 0.112 0.000 1.146 2335 P CA 1.391 64.531 63.100 0.066 0.000 0.808 2335 P CB 0.059 31.741 31.700 -0.030 0.000 0.779 2336 H N -0.990 118.064 119.070 -0.028 0.000 2.353 2336 H HA 0.012 4.580 4.556 0.019 0.000 0.300 2336 H C 1.464 176.711 175.328 -0.136 0.000 1.090 2336 H CA 0.536 56.544 56.048 -0.067 0.000 1.327 2336 H CB -0.632 29.102 29.762 -0.047 0.000 1.383 2336 H HN 0.112 nan 8.280 nan 0.000 0.508 2337 E N 1.161 121.305 120.200 -0.094 0.000 2.107 2337 E HA -0.085 4.277 4.350 0.019 0.000 0.191 2337 E C 0.008 176.311 176.600 -0.495 0.000 0.982 2337 E CA 0.239 56.349 56.400 -0.483 0.000 0.809 2337 E CB -0.156 28.960 29.700 -0.972 0.000 0.756 2337 E HN 0.540 nan 8.360 nan 0.000 0.459 2338 N N 0.108 118.612 118.700 -0.326 0.000 2.590 2338 N HA -0.166 4.585 4.740 0.019 0.000 0.273 2338 N C -1.317 173.973 175.510 -0.367 0.000 1.210 2338 N CA -0.254 52.660 53.050 -0.226 0.000 0.676 2338 N CB -1.086 37.302 38.487 -0.166 0.000 0.881 2338 N HN -0.010 nan 8.380 nan 0.000 0.550 2339 F N 0.763 120.573 119.950 -0.233 0.000 2.427 2339 F HA 0.331 4.869 4.527 0.020 0.000 0.352 2339 F C 1.065 176.551 175.800 -0.524 0.000 1.100 2339 F CA -0.654 57.046 58.000 -0.500 0.000 1.191 2339 F CB 0.918 39.473 39.000 -0.742 0.000 1.128 2339 F HN -0.030 nan 8.300 nan 0.000 0.533 2340 V N 2.045 121.751 119.914 -0.347 0.000 2.326 2340 V HA 0.486 4.617 4.120 0.019 0.000 0.281 2340 V C -0.869 175.179 176.094 -0.076 0.000 1.015 2340 V CA -0.957 61.237 62.300 -0.177 0.000 0.823 2340 V CB 0.698 32.476 31.823 -0.075 0.000 1.009 2340 V HN 0.646 nan 8.190 nan 0.000 0.436 2341 F N 5.730 125.679 119.950 -0.000 0.000 2.430 2341 F HA 0.527 5.065 4.527 0.019 0.000 0.362 2341 F C -1.811 173.931 175.800 -0.098 0.000 1.103 2341 F CA -2.119 55.846 58.000 -0.058 0.000 1.045 2341 F CB 2.476 41.410 39.000 -0.110 0.000 1.276 2341 F HN 0.408 nan 8.300 nan 0.000 0.444 2342 P HA 0.063 nan 4.420 nan 0.000 0.271 2342 P C 0.484 177.753 177.300 -0.051 0.000 1.226 2342 P CA 0.183 63.292 63.100 0.016 0.000 0.765 2342 P CB 1.074 32.783 31.700 0.015 0.000 0.835 2343 E N 2.402 122.559 120.200 -0.070 0.000 2.246 2343 E HA -0.348 4.013 4.350 0.019 0.000 0.232 2343 E C 1.712 178.238 176.600 -0.122 0.000 1.087 2343 E CA 2.546 58.879 56.400 -0.113 0.000 0.964 2343 E CB -0.149 29.513 29.700 -0.063 0.000 0.827 2343 E HN 0.711 nan 8.360 nan 0.000 0.476 2344 E N 0.846 120.999 120.200 -0.077 0.000 2.033 2344 E HA -0.235 4.126 4.350 0.019 0.000 0.199 2344 E C 2.274 178.812 176.600 -0.102 0.000 1.011 2344 E CA 1.953 58.311 56.400 -0.069 0.000 0.815 2344 E CB -0.694 28.978 29.700 -0.047 0.000 0.755 2344 E HN 0.146 nan 8.360 nan 0.000 0.451 2345 V N 2.432 122.275 119.914 -0.119 0.000 2.252 2345 V HA -0.274 3.857 4.120 0.019 0.000 0.255 2345 V C 1.832 177.784 176.094 -0.238 0.000 1.071 2345 V CA 1.779 63.978 62.300 -0.169 0.000 1.050 2345 V CB -0.947 30.767 31.823 -0.181 0.000 0.654 2345 V HN 0.269 nan 8.190 nan 0.000 0.448 2346 L N 1.438 122.476 121.223 -0.309 0.000 2.615 2346 L HA 0.054 4.405 4.340 0.019 0.000 0.284 2346 L C -1.930 174.850 176.870 -0.150 0.000 1.237 2346 L CA -0.976 53.633 54.840 -0.385 0.000 0.905 2346 L CB -0.764 40.872 42.059 -0.706 0.000 1.149 2346 L HN 0.170 nan 8.230 nan 0.000 0.499 2347 P HA 0.229 nan 4.420 nan 0.000 0.268 2347 P C -0.760 176.648 177.300 0.180 0.000 1.208 2347 P CA -0.152 62.972 63.100 0.041 0.000 0.777 2347 P CB 0.561 32.286 31.700 0.042 0.000 0.875 2348 R N 1.000 121.569 120.500 0.115 0.000 2.868 2348 R HA 0.415 4.766 4.340 0.019 0.000 0.262 2348 R C -0.532 175.802 176.300 0.058 0.000 1.163 2348 R CA -0.454 55.733 56.100 0.145 0.000 1.105 2348 R CB 0.657 31.073 30.300 0.193 0.000 1.270 2348 R HN 0.689 nan 8.270 nan 0.000 0.437 2349 G N 2.444 111.260 108.800 0.027 0.000 2.483 2349 G HA2 0.011 3.982 3.960 0.019 0.000 0.248 2349 G HA3 0.011 3.982 3.960 0.019 0.000 0.248 2349 G C -0.259 174.643 174.900 0.003 0.000 1.248 2349 G CA -0.425 44.672 45.100 -0.004 0.000 0.838 2349 G HN 0.765 nan 8.290 nan 0.000 0.566 2350 N N 0.511 119.208 118.700 -0.005 0.000 2.356 2350 N HA 0.198 4.950 4.740 0.019 0.000 0.252 2350 N C 1.313 176.822 175.510 -0.003 0.000 1.241 2350 N CA 0.678 53.727 53.050 -0.002 0.000 0.861 2350 N CB 0.117 38.599 38.487 -0.009 0.000 1.075 2350 N HN 1.028 nan 8.380 nan 0.000 0.461 2351 A N 1.928 124.750 122.820 0.004 0.000 3.413 2351 A HA -0.215 4.116 4.320 0.019 0.000 0.268 2351 A C -0.195 177.390 177.584 0.002 0.000 1.128 2351 A CA 1.165 53.204 52.037 0.002 0.000 1.062 2351 A CB -1.848 17.148 19.000 -0.005 0.000 1.121 2351 A HN 0.571 nan 8.150 nan 0.000 0.895 2352 L N 0.000 121.226 121.223 0.004 0.000 2.949 2352 L HA 0.000 4.351 4.340 0.019 0.000 0.249 2352 L CA 0.000 54.837 54.840 -0.005 0.000 0.813 2352 L CB 0.000 42.036 42.059 -0.038 0.000 0.961 2352 L HN 0.000 nan 8.230 nan 0.000 0.502