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 1p8j_1_G DATA FIRST_RESID 109 DATA SEQUENCE VYQEPTDPKF PQQWYLSGVT QRDLNVKEAW AQGFTGHGIV VSILDDGIEK DATA SEQUENCE NHPDLAGNYD PGASFDVNDQ DPDPQPRYTQ MNDNRHGTRC AGEVAAVANN DATA SEQUENCE GVcGVGVAYN ARIGGVRMLD GEVTDAVEAR SLGLNPNHIH IYSASWGPED DATA SEQUENCE DGKTVDGPAR LAEEAFFRGV SQGRGGLGSI FVWASGNGGR EHDScNCDGY DATA SEQUENCE TNSIYTLSIS SATQFGNVPW YSEAcSSTLA TTYSSGNQNE KQIVTTDLRQ DATA SEQUENCE KcTESHTGTS ASAPLAAGII ALTLEANKNL TWRDMQHLVV QTSKPAHLNA DATA SEQUENCE DDWATNGVGR KVSHSYGYGL LDAGAMVALA QNWTTVAPQR KcIVEILVEP DATA SEQUENCE KDIGKRLEVR KAVTAcLGEP NHITRLEHVQ ARLTLSYNRR GDLAIHLISP DATA SEQUENCE MGTRSTLLAA RPHDYSADGF NDWAFMTTHS WDEDPAGEWV LEIENTSEAN DATA SEQUENCE NYGTLTKFTL VLYGTAP 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 109 V HA 0.000 nan 4.120 nan 0.000 0.244 109 V C 0.000 176.136 176.094 0.071 0.000 1.182 109 V CA 0.000 62.325 62.300 0.042 0.000 1.235 109 V CB 0.000 31.835 31.823 0.021 0.000 1.184 110 Y N 2.248 122.550 120.300 0.004 0.000 2.313 110 Y HA 0.711 5.262 4.550 0.001 0.000 0.332 110 Y C -0.097 175.814 175.900 0.018 0.000 1.071 110 Y CA 0.188 58.299 58.100 0.018 0.000 1.169 110 Y CB 1.235 39.725 38.460 0.050 0.000 1.192 110 Y HN 0.685 nan 8.280 nan 0.000 0.487 111 Q N 5.310 124.581 119.800 -0.882 0.000 2.323 111 Q HA 0.201 4.541 4.340 0.001 0.000 0.271 111 Q C -1.036 174.386 176.000 -0.962 0.000 1.048 111 Q CA -1.104 54.221 55.803 -0.797 0.000 0.792 111 Q CB 2.326 30.850 28.738 -0.356 0.000 1.280 111 Q HN 0.844 nan 8.270 nan 0.000 0.441 112 E N 2.461 122.220 120.200 -0.734 0.000 2.436 112 E HA 0.123 4.474 4.350 0.001 0.000 0.262 112 E C -2.189 174.162 176.600 -0.415 0.000 1.063 112 E CA -1.412 54.787 56.400 -0.335 0.000 0.944 112 E CB -0.008 29.723 29.700 0.051 0.000 0.950 112 E HN 0.136 nan 8.360 nan 0.000 0.444 113 P HA -0.095 nan 4.420 nan 0.000 0.264 113 P C 0.175 177.232 177.300 -0.405 0.000 1.179 113 P CA 0.505 63.175 63.100 -0.716 0.000 0.763 113 P CB 0.547 31.569 31.700 -1.129 0.000 0.806 114 T N -2.411 111.984 114.554 -0.265 0.000 3.069 114 T HA 0.127 4.477 4.350 0.001 0.000 0.252 114 T C 0.068 174.736 174.700 -0.053 0.000 1.053 114 T CA -0.351 61.680 62.100 -0.114 0.000 0.964 114 T CB -0.687 68.115 68.868 -0.110 0.000 1.005 114 T HN 0.208 nan 8.240 nan 0.000 0.532 115 D N 4.454 124.808 120.400 -0.076 0.000 2.525 115 D HA 0.081 4.722 4.640 0.001 0.000 0.235 115 D C -1.013 175.331 176.300 0.074 0.000 1.137 115 D CA -1.015 52.980 54.000 -0.008 0.000 0.868 115 D CB 0.805 41.596 40.800 -0.016 0.000 1.180 115 D HN 0.133 nan 8.370 nan 0.000 0.465 116 P HA -0.230 nan 4.420 nan 0.000 0.216 116 P C 0.645 177.995 177.300 0.083 0.000 1.150 116 P CA 1.367 64.504 63.100 0.063 0.000 0.843 116 P CB 0.303 32.029 31.700 0.044 0.000 0.787 117 K N -1.896 118.564 120.400 0.101 0.000 2.374 117 K HA 0.102 4.422 4.320 0.001 0.000 0.196 117 K C 1.631 178.297 176.600 0.110 0.000 1.023 117 K CA -0.337 56.008 56.287 0.097 0.000 1.103 117 K CB -0.775 31.782 32.500 0.097 0.000 0.848 117 K HN 0.105 nan 8.250 nan 0.000 0.528 118 F N 3.292 123.248 119.950 0.010 0.000 2.154 118 F HA -0.110 4.418 4.527 0.001 0.000 0.301 118 F C -1.099 174.701 175.800 -0.000 0.000 1.087 118 F CA 0.765 58.768 58.000 0.005 0.000 1.274 118 F CB -0.938 38.069 39.000 0.011 0.000 1.009 118 F HN 0.022 nan 8.300 nan 0.000 0.485 119 P HA -0.165 nan 4.420 nan 0.000 0.218 119 P C 1.296 178.487 177.300 -0.182 0.000 1.149 119 P CA 1.475 64.450 63.100 -0.208 0.000 0.817 119 P CB -0.034 31.644 31.700 -0.036 0.000 0.785 120 Q N -0.737 119.009 119.800 -0.090 0.000 2.369 120 Q HA -0.049 4.292 4.340 0.001 0.000 0.206 120 Q C 0.928 176.910 176.000 -0.029 0.000 0.963 120 Q CA 0.918 56.727 55.803 0.010 0.000 0.894 120 Q CB -0.706 28.074 28.738 0.070 0.000 0.965 120 Q HN 0.437 nan 8.270 nan 0.000 0.475 121 Q N 0.602 120.210 119.800 -0.319 0.000 3.254 121 Q HA -0.023 4.318 4.340 0.001 0.000 0.315 121 Q C 0.321 175.716 176.000 -1.008 0.000 1.405 121 Q CA -0.331 54.987 55.803 -0.807 0.000 0.966 121 Q CB -0.368 27.958 28.738 -0.687 0.000 1.706 121 Q HN 0.548 nan 8.270 nan 0.000 0.525 122 W N 0.449 121.439 121.300 -0.516 0.000 2.321 122 W HA -0.296 4.364 4.660 0.001 0.000 0.285 122 W C 0.631 176.956 176.519 -0.325 0.000 1.213 122 W CA 0.860 58.002 57.345 -0.338 0.000 1.205 122 W CB -1.065 28.299 29.460 -0.160 0.000 1.134 122 W HN 0.531 nan 8.180 nan 0.000 0.549 123 Y N -0.502 119.222 120.300 -0.959 0.000 2.583 123 Y HA 0.271 4.821 4.550 0.001 0.000 0.293 123 Y C 2.032 177.746 175.900 -0.311 0.000 1.157 123 Y CA 0.559 58.195 58.100 -0.774 0.000 1.315 123 Y CB -1.170 36.654 38.460 -1.059 0.000 1.021 123 Y HN -0.076 nan 8.280 nan 0.000 0.536 124 L N -0.299 120.583 121.223 -0.568 0.000 2.749 124 L HA 0.111 4.451 4.340 0.001 0.000 0.242 124 L C 2.130 178.879 176.870 -0.202 0.000 1.103 124 L CA 0.649 55.308 54.840 -0.301 0.000 0.906 124 L CB 0.015 41.954 42.059 -0.199 0.000 1.228 124 L HN 0.268 nan 8.230 nan 0.000 0.517 125 S N -0.354 115.169 115.700 -0.294 0.000 2.461 125 S HA 0.083 4.553 4.470 0.001 0.000 0.228 125 S C 1.025 175.599 174.600 -0.044 0.000 1.005 125 S CA 0.407 58.486 58.200 -0.202 0.000 0.942 125 S CB -0.178 62.859 63.200 -0.271 0.000 0.776 125 S HN 0.255 nan 8.310 nan 0.000 0.514 126 G N 0.146 108.921 108.800 -0.042 0.000 2.511 126 G HA2 0.594 4.554 3.960 0.001 0.000 0.318 126 G HA3 0.594 4.554 3.960 0.001 0.000 0.318 126 G C -1.490 173.404 174.900 -0.010 0.000 1.210 126 G CA -0.600 44.496 45.100 -0.006 0.000 0.969 126 G HN 0.637 nan 8.290 nan 0.000 0.484 127 V N 1.260 121.174 119.914 0.001 0.000 2.380 127 V HA 0.752 4.872 4.120 0.001 0.000 0.272 127 V C -0.097 175.994 176.094 -0.005 0.000 1.011 127 V CA 0.529 62.824 62.300 -0.009 0.000 0.826 127 V CB 0.534 32.355 31.823 -0.004 0.000 1.040 127 V HN 1.318 nan 8.190 nan 0.000 0.441 128 T N 1.401 115.948 114.554 -0.012 0.000 2.696 128 T HA 0.324 4.674 4.350 0.001 0.000 0.291 128 T C 0.630 175.307 174.700 -0.038 0.000 1.095 128 T CA 0.102 62.188 62.100 -0.024 0.000 1.026 128 T CB 1.803 70.649 68.868 -0.036 0.000 1.390 128 T HN 0.417 nan 8.240 nan 0.000 0.513 129 Q N -0.146 119.616 119.800 -0.064 0.000 2.364 129 Q HA 0.001 4.342 4.340 0.001 0.000 0.207 129 Q C 1.520 177.446 176.000 -0.124 0.000 0.970 129 Q CA 1.059 56.822 55.803 -0.067 0.000 0.888 129 Q CB -0.044 28.683 28.738 -0.018 0.000 0.951 129 Q HN 0.630 nan 8.270 nan 0.000 0.469 130 R N -0.909 119.493 120.500 -0.164 0.000 2.652 130 R HA 0.316 4.656 4.340 0.001 0.000 0.372 130 R C -0.826 175.550 176.300 0.127 0.000 1.104 130 R CA -0.328 55.724 56.100 -0.079 0.000 1.072 130 R CB 0.609 30.790 30.300 -0.197 0.000 1.367 130 R HN -0.076 nan 8.270 nan 0.000 0.577 131 D N 0.360 120.813 120.400 0.088 0.000 2.419 131 D HA 0.203 4.844 4.640 0.001 0.000 0.234 131 D C 0.986 177.340 176.300 0.089 0.000 1.014 131 D CA -0.731 53.363 54.000 0.158 0.000 0.919 131 D CB 2.091 42.933 40.800 0.069 0.000 1.366 131 D HN -0.040 nan 8.370 nan 0.000 0.490 132 L N 0.674 121.961 121.223 0.107 0.000 2.265 132 L HA -0.098 4.243 4.340 0.001 0.000 0.215 132 L C 0.382 177.216 176.870 -0.060 0.000 1.117 132 L CA 0.770 55.617 54.840 0.011 0.000 0.782 132 L CB -0.692 41.382 42.059 0.025 0.000 0.914 132 L HN 0.478 nan 8.230 nan 0.000 0.441 133 N N -1.261 117.397 118.700 -0.070 0.000 2.740 133 N HA -0.177 4.563 4.740 0.001 0.000 0.248 133 N C 1.028 176.406 175.510 -0.221 0.000 1.062 133 N CA 0.217 53.199 53.050 -0.115 0.000 0.704 133 N CB -1.032 37.407 38.487 -0.079 0.000 0.968 133 N HN 0.360 nan 8.380 nan 0.000 0.547 134 V N -2.581 117.125 119.914 -0.346 0.000 2.427 134 V HA -0.184 3.936 4.120 0.001 0.000 0.248 134 V C 2.066 177.615 176.094 -0.909 0.000 1.051 134 V CA 1.509 63.420 62.300 -0.647 0.000 1.048 134 V CB -0.242 31.091 31.823 -0.816 0.000 0.666 134 V HN 0.281 nan 8.190 nan 0.000 0.456 135 K N 0.378 120.377 120.400 -0.669 0.000 2.113 135 K HA -0.276 4.045 4.320 0.001 0.000 0.208 135 K C 2.290 178.780 176.600 -0.183 0.000 1.047 135 K CA 2.239 58.352 56.287 -0.290 0.000 0.928 135 K CB -0.278 32.252 32.500 0.050 0.000 0.716 135 K HN 0.732 nan 8.250 nan 0.000 0.446 136 E N 0.227 120.328 120.200 -0.166 0.000 2.118 136 E HA -0.218 4.132 4.350 0.001 0.000 0.195 136 E C 1.830 178.378 176.600 -0.087 0.000 0.992 136 E CA 1.192 57.536 56.400 -0.093 0.000 0.804 136 E CB -0.005 29.650 29.700 -0.074 0.000 0.741 136 E HN 0.367 nan 8.360 nan 0.000 0.458 137 A N 0.351 123.091 122.820 -0.134 0.000 1.898 137 A HA -0.129 4.192 4.320 0.001 0.000 0.214 137 A C 1.741 179.369 177.584 0.075 0.000 1.183 137 A CA 0.904 52.941 52.037 0.001 0.000 0.622 137 A CB -0.784 18.182 19.000 -0.057 0.000 0.824 137 A HN 0.421 nan 8.150 nan 0.000 0.444 138 W N -0.037 121.140 121.300 -0.204 0.000 2.358 138 W HA -0.083 4.578 4.660 0.000 0.000 0.303 138 W C 2.783 178.903 176.519 -0.665 0.000 1.208 138 W CA 0.793 57.898 57.345 -0.399 0.000 1.274 138 W CB -1.316 27.887 29.460 -0.429 0.000 1.138 138 W HN 0.434 nan 8.180 nan 0.000 0.515 139 A N 0.262 122.766 122.820 -0.526 0.000 1.940 139 A HA -0.232 4.088 4.320 0.001 0.000 0.219 139 A C 1.864 179.334 177.584 -0.191 0.000 1.176 139 A CA 1.636 53.395 52.037 -0.464 0.000 0.631 139 A CB -0.892 18.000 19.000 -0.180 0.000 0.814 139 A HN 0.449 nan 8.150 nan 0.000 0.446 140 Q N -1.506 118.208 119.800 -0.144 0.000 2.466 140 Q HA 0.246 4.587 4.340 0.001 0.000 0.210 140 Q C 0.980 176.693 176.000 -0.478 0.000 0.961 140 Q CA 0.341 56.040 55.803 -0.174 0.000 0.953 140 Q CB -0.044 28.698 28.738 0.008 0.000 1.011 140 Q HN 0.908 nan 8.270 nan 0.000 0.516 141 G N 0.526 109.093 108.800 -0.389 0.000 2.132 141 G HA2 -0.237 3.723 3.960 0.001 0.000 0.234 141 G HA3 -0.237 3.723 3.960 0.001 0.000 0.234 141 G C -0.420 174.180 174.900 -0.501 0.000 0.989 141 G CA -0.465 44.375 45.100 -0.433 0.000 0.676 141 G HN 0.244 nan 8.290 nan 0.000 0.522 142 F N 1.599 121.556 119.950 0.012 0.000 2.332 142 F HA 0.594 5.121 4.527 0.001 0.000 0.368 142 F C 1.174 176.982 175.800 0.013 0.000 1.110 142 F CA -0.237 57.770 58.000 0.011 0.000 1.087 142 F CB 1.906 40.901 39.000 -0.008 0.000 1.235 142 F HN 0.129 nan 8.300 nan 0.000 0.470 143 T N -2.048 112.539 114.554 0.055 0.000 3.144 143 T HA 0.446 4.796 4.350 0.001 0.000 0.290 143 T C 1.127 175.661 174.700 -0.277 0.000 0.966 143 T CA 0.188 62.120 62.100 -0.280 0.000 0.907 143 T CB 0.364 68.796 68.868 -0.726 0.000 1.152 143 T HN 0.937 nan 8.240 nan 0.000 0.532 144 G N 1.133 109.876 108.800 -0.096 0.000 2.184 144 G HA2 -0.193 3.768 3.960 0.001 0.000 0.206 144 G HA3 -0.193 3.768 3.960 0.001 0.000 0.206 144 G C -0.139 174.708 174.900 -0.088 0.000 0.995 144 G CA -0.405 44.636 45.100 -0.099 0.000 0.651 144 G HN 0.741 nan 8.290 nan 0.000 0.511 145 H N -0.090 118.971 119.070 -0.016 0.000 3.094 145 H HA 0.348 4.905 4.556 0.001 0.000 0.320 145 H C 1.653 176.975 175.328 -0.010 0.000 1.000 145 H CA 2.105 58.150 56.048 -0.005 0.000 1.413 145 H CB 0.711 30.475 29.762 0.002 0.000 1.405 145 H HN 1.280 nan 8.280 nan 0.000 0.586 146 G N 2.987 111.860 108.800 0.123 0.000 2.184 146 G HA2 -0.258 3.703 3.960 0.001 0.000 0.264 146 G HA3 -0.258 3.703 3.960 0.001 0.000 0.264 146 G C 0.048 174.958 174.900 0.017 0.000 0.975 146 G CA 0.151 45.291 45.100 0.067 0.000 0.642 146 G HN 0.445 nan 8.290 nan 0.000 0.536 147 I N 1.016 121.573 120.570 -0.022 0.000 2.392 147 I HA 0.577 4.748 4.170 0.001 0.000 0.295 147 I C 0.436 176.596 176.117 0.072 0.000 0.985 147 I CA -1.299 59.969 61.300 -0.052 0.000 1.221 147 I CB 1.539 39.462 38.000 -0.129 0.000 1.366 147 I HN -0.113 nan 8.210 nan 0.000 0.467 148 V N 6.685 126.754 119.914 0.258 0.000 2.448 148 V HA 0.506 4.626 4.120 0.001 0.000 0.295 148 V C -0.017 176.020 176.094 -0.094 0.000 1.025 148 V CA -0.668 61.599 62.300 -0.055 0.000 0.859 148 V CB 2.227 33.807 31.823 -0.405 0.000 0.988 148 V HN 0.457 nan 8.190 nan 0.000 0.431 149 V N 3.347 123.198 119.914 -0.105 0.000 2.604 149 V HA 0.646 4.767 4.120 0.001 0.000 0.305 149 V C -0.065 175.953 176.094 -0.127 0.000 1.043 149 V CA -0.387 61.841 62.300 -0.121 0.000 0.888 149 V CB 2.125 33.915 31.823 -0.054 0.000 0.995 149 V HN 0.836 nan 8.190 nan 0.000 0.429 150 S N 4.335 119.933 115.700 -0.170 0.000 2.502 150 S HA 0.688 5.158 4.470 0.001 0.000 0.304 150 S C -0.864 173.750 174.600 0.022 0.000 1.097 150 S CA -0.626 57.525 58.200 -0.082 0.000 1.045 150 S CB 0.878 63.997 63.200 -0.135 0.000 1.019 150 S HN 0.485 nan 8.310 nan 0.000 0.481 151 I N 5.566 126.176 120.570 0.066 0.000 2.304 151 I HA 0.290 4.461 4.170 0.001 0.000 0.291 151 I C -0.312 175.894 176.117 0.148 0.000 1.018 151 I CA -0.433 60.924 61.300 0.094 0.000 1.260 151 I CB 0.904 38.948 38.000 0.074 0.000 1.390 151 I HN 0.600 nan 8.210 nan 0.000 0.475 152 L N 6.340 127.685 121.223 0.204 0.000 2.282 152 L HA 0.362 4.703 4.340 0.001 0.000 0.287 152 L C 0.305 177.343 176.870 0.280 0.000 1.075 152 L CA 0.240 55.244 54.840 0.272 0.000 0.839 152 L CB 0.483 42.789 42.059 0.411 0.000 1.219 152 L HN 0.637 nan 8.230 nan 0.000 0.434 153 D N 0.974 121.447 120.400 0.121 0.000 4.378 153 D HA 0.010 4.650 4.640 0.001 0.000 0.318 153 D C -0.525 175.753 176.300 -0.037 0.000 1.651 153 D CA -0.133 53.907 54.000 0.067 0.000 0.976 153 D CB 0.950 41.860 40.800 0.183 0.000 1.451 153 D HN 0.529 nan 8.370 nan 0.000 0.665 154 D N 0.170 120.567 120.400 -0.006 0.000 2.358 154 D HA 0.425 5.066 4.640 0.001 0.000 0.224 154 D C 0.852 177.129 176.300 -0.037 0.000 1.123 154 D CA 0.290 54.263 54.000 -0.046 0.000 0.833 154 D CB 0.459 41.230 40.800 -0.049 0.000 0.946 154 D HN 0.696 nan 8.370 nan 0.000 0.505 155 G N -0.253 108.544 108.800 -0.006 0.000 2.479 155 G HA2 0.041 4.001 3.960 0.001 0.000 0.686 155 G HA3 0.041 4.001 3.960 0.001 0.000 0.686 155 G C -1.565 173.337 174.900 0.002 0.000 1.295 155 G CA -0.580 44.516 45.100 -0.006 0.000 0.922 155 G HN 0.443 nan 8.290 nan 0.000 0.582 156 I N -0.318 120.257 120.570 0.009 0.000 2.569 156 I HA 0.568 4.739 4.170 0.001 0.000 0.290 156 I C 0.124 176.225 176.117 -0.026 0.000 1.088 156 I CA -0.801 60.507 61.300 0.013 0.000 1.047 156 I CB 1.798 39.851 38.000 0.087 0.000 1.237 156 I HN 0.717 nan 8.210 nan 0.000 0.421 157 E N 7.365 127.556 120.200 -0.016 0.000 1.775 157 E HA 0.021 4.372 4.350 0.001 0.000 0.266 157 E C 0.977 177.550 176.600 -0.046 0.000 1.191 157 E CA -0.154 56.252 56.400 0.010 0.000 1.048 157 E CB 0.452 30.217 29.700 0.109 0.000 1.081 157 E HN 0.612 nan 8.360 nan 0.000 0.434 158 K N 2.852 123.113 120.400 -0.232 0.000 2.360 158 K HA -0.170 4.151 4.320 0.001 0.000 0.201 158 K C 0.749 177.151 176.600 -0.329 0.000 1.046 158 K CA 1.303 57.247 56.287 -0.571 0.000 0.940 158 K CB -0.038 31.626 32.500 -1.393 0.000 0.748 158 K HN 0.287 nan 8.250 nan 0.000 0.465 159 N N 0.452 119.064 118.700 -0.148 0.000 2.268 159 N HA -0.089 4.652 4.740 0.001 0.000 0.204 159 N C -0.274 175.236 175.510 0.000 0.000 1.124 159 N CA -0.239 52.769 53.050 -0.070 0.000 0.838 159 N CB -0.298 38.150 38.487 -0.065 0.000 0.994 159 N HN 0.220 nan 8.380 nan 0.000 0.489 160 H N 3.489 122.532 119.070 -0.046 0.000 2.886 160 H HA 0.078 4.634 4.556 0.001 0.000 0.329 160 H C -1.263 174.061 175.328 -0.007 0.000 1.044 160 H CA -0.882 55.158 56.048 -0.014 0.000 1.456 160 H CB 1.520 31.278 29.762 -0.006 0.000 1.464 160 H HN 0.012 nan 8.280 nan 0.000 0.573 161 P HA -0.157 nan 4.420 nan 0.000 0.220 161 P C 0.547 177.958 177.300 0.185 0.000 1.144 161 P CA 1.245 64.386 63.100 0.069 0.000 0.800 161 P CB 0.479 32.156 31.700 -0.037 0.000 0.772 162 D N -1.838 118.806 120.400 0.405 0.000 2.402 162 D HA 0.184 4.825 4.640 0.001 0.000 0.216 162 D C 1.498 177.848 176.300 0.082 0.000 1.128 162 D CA 0.102 54.207 54.000 0.175 0.000 0.833 162 D CB -0.000 40.874 40.800 0.123 0.000 0.971 162 D HN 0.115 nan 8.370 nan 0.000 0.503 163 L N -1.062 120.233 121.223 0.118 0.000 2.806 163 L HA 0.354 4.694 4.340 0.001 0.000 0.242 163 L C 2.244 179.190 176.870 0.126 0.000 1.068 163 L CA 0.389 55.280 54.840 0.085 0.000 0.923 163 L CB -0.133 41.958 42.059 0.053 0.000 1.364 163 L HN -0.079 nan 8.230 nan 0.000 0.511 164 A N 1.114 124.003 122.820 0.114 0.000 1.903 164 A HA -0.230 4.090 4.320 0.001 0.000 0.219 164 A C 2.250 179.913 177.584 0.131 0.000 1.191 164 A CA 2.300 54.401 52.037 0.108 0.000 0.638 164 A CB -1.345 17.692 19.000 0.061 0.000 0.823 164 A HN 0.439 nan 8.150 nan 0.000 0.451 165 G N -0.840 108.017 108.800 0.094 0.000 2.450 165 G HA2 -0.243 3.717 3.960 0.001 0.000 0.220 165 G HA3 -0.243 3.717 3.960 0.001 0.000 0.220 165 G C 1.186 176.137 174.900 0.085 0.000 1.130 165 G CA 1.166 46.312 45.100 0.077 0.000 0.760 165 G HN 0.568 nan 8.290 nan 0.000 0.557 166 N N -1.230 117.529 118.700 0.099 0.000 2.205 166 N HA 0.093 4.834 4.740 0.001 0.000 0.201 166 N C -0.208 175.365 175.510 0.104 0.000 1.128 166 N CA -0.568 52.531 53.050 0.081 0.000 0.867 166 N CB 0.254 38.775 38.487 0.057 0.000 0.996 166 N HN 0.364 nan 8.380 nan 0.000 0.503 167 Y N 2.295 122.615 120.300 0.034 0.000 2.712 167 Y HA 0.051 4.602 4.550 0.001 0.000 0.333 167 Y C -0.102 175.826 175.900 0.046 0.000 1.225 167 Y CA 0.023 58.145 58.100 0.037 0.000 1.499 167 Y CB 0.401 38.884 38.460 0.038 0.000 1.288 167 Y HN -0.098 nan 8.280 nan 0.000 0.575 168 D N 7.999 127.925 120.400 -0.791 0.000 2.469 168 D HA 0.317 4.958 4.640 0.001 0.000 0.251 168 D C -2.297 173.543 176.300 -0.767 0.000 1.173 168 D CA -2.471 51.197 54.000 -0.553 0.000 0.882 168 D CB 1.931 42.623 40.800 -0.179 0.000 1.129 168 D HN 0.271 nan 8.370 nan 0.000 0.549 169 P HA -0.003 nan 4.420 nan 0.000 0.219 169 P C 1.292 178.514 177.300 -0.130 0.000 1.146 169 P CA 0.846 63.786 63.100 -0.266 0.000 0.808 169 P CB 0.365 32.041 31.700 -0.040 0.000 0.779 170 G N -0.374 108.333 108.800 -0.154 0.000 2.534 170 G HA2 -0.053 3.907 3.960 0.001 0.000 0.217 170 G HA3 -0.053 3.907 3.960 0.001 0.000 0.217 170 G C 1.216 176.114 174.900 -0.004 0.000 1.128 170 G CA 0.624 45.618 45.100 -0.177 0.000 0.784 170 G HN 0.362 nan 8.290 nan 0.000 0.542 171 A N -0.228 122.609 122.820 0.028 0.000 2.500 171 A HA 0.678 4.998 4.320 0.001 0.000 0.267 171 A C 0.671 178.281 177.584 0.043 0.000 1.290 171 A CA -0.041 52.025 52.037 0.048 0.000 0.928 171 A CB 0.351 19.336 19.000 -0.024 0.000 1.066 171 A HN 0.153 nan 8.150 nan 0.000 0.516 172 S N -1.220 114.523 115.700 0.071 0.000 2.599 172 S HA 0.887 5.357 4.470 0.001 0.000 0.294 172 S C -1.167 173.600 174.600 0.278 0.000 1.094 172 S CA -0.416 57.877 58.200 0.156 0.000 0.931 172 S CB 1.720 65.020 63.200 0.168 0.000 1.093 172 S HN 0.466 nan 8.310 nan 0.000 0.488 173 F N 1.030 121.025 119.950 0.076 0.000 2.793 173 F HA 0.284 4.812 4.527 0.002 0.000 0.316 173 F C -2.153 173.677 175.800 0.050 0.000 1.147 173 F CA -0.588 57.447 58.000 0.059 0.000 0.930 173 F CB 1.299 40.328 39.000 0.049 0.000 1.277 173 F HN 0.544 nan 8.300 nan 0.000 0.443 174 D N 3.207 123.418 120.400 -0.315 0.000 2.472 174 D HA 0.370 5.011 4.640 0.001 0.000 0.234 174 D C 0.421 176.786 176.300 0.108 0.000 1.088 174 D CA -0.048 53.897 54.000 -0.091 0.000 0.882 174 D CB 1.499 42.184 40.800 -0.191 0.000 1.037 174 D HN 0.283 nan 8.370 nan 0.000 0.520 175 V N 3.808 123.890 119.914 0.279 0.000 2.667 175 V HA -0.141 3.980 4.120 0.001 0.000 0.252 175 V C 2.009 178.172 176.094 0.115 0.000 1.065 175 V CA 1.293 63.751 62.300 0.264 0.000 1.083 175 V CB -0.613 31.306 31.823 0.159 0.000 0.692 175 V HN 0.551 nan 8.190 nan 0.000 0.468 176 N N 0.207 118.936 118.700 0.048 0.000 2.188 176 N HA -0.148 4.592 4.740 0.001 0.000 0.184 176 N C 0.921 176.437 175.510 0.011 0.000 1.018 176 N CA 1.365 54.420 53.050 0.007 0.000 0.858 176 N CB -0.011 38.462 38.487 -0.023 0.000 0.989 176 N HN 0.408 nan 8.380 nan 0.000 0.426 177 D N 0.024 120.427 120.400 0.005 0.000 2.395 177 D HA 0.089 4.730 4.640 0.001 0.000 0.213 177 D C -0.565 175.738 176.300 0.006 0.000 1.110 177 D CA 0.007 54.002 54.000 -0.008 0.000 0.835 177 D CB 0.323 41.100 40.800 -0.037 0.000 0.965 177 D HN 0.024 nan 8.370 nan 0.000 0.505 178 Q N 1.020 120.863 119.800 0.071 0.000 2.443 178 Q HA -0.192 4.148 4.340 0.001 0.000 0.337 178 Q C -0.728 175.286 176.000 0.023 0.000 1.401 178 Q CA 0.832 56.733 55.803 0.164 0.000 0.943 178 Q CB -1.018 27.797 28.738 0.128 0.000 1.177 178 Q HN 0.341 nan 8.270 nan 0.000 0.394 179 D N -1.561 118.672 120.400 -0.279 0.000 2.661 179 D HA 0.256 4.896 4.640 0.001 0.000 0.228 179 D C -2.463 173.219 176.300 -1.030 0.000 1.210 179 D CA -2.082 51.660 54.000 -0.430 0.000 0.826 179 D CB 2.104 42.770 40.800 -0.223 0.000 1.542 179 D HN -0.244 nan 8.370 nan 0.000 0.447 180 P HA 0.028 nan 4.420 nan 0.000 0.225 180 P C -0.182 176.923 177.300 -0.325 0.000 1.156 180 P CA 0.527 63.255 63.100 -0.620 0.000 0.787 180 P CB 0.230 31.822 31.700 -0.179 0.000 0.802 181 D N 0.601 120.862 120.400 -0.232 0.000 2.336 181 D HA 0.043 4.684 4.640 0.001 0.000 0.249 181 D C -1.605 174.640 176.300 -0.092 0.000 1.213 181 D CA -2.242 51.698 54.000 -0.101 0.000 0.870 181 D CB 0.631 41.388 40.800 -0.073 0.000 1.076 181 D HN 0.151 nan 8.370 nan 0.000 0.483 182 P HA 0.008 nan 4.420 nan 0.000 0.257 182 P C 0.117 177.410 177.300 -0.011 0.000 1.325 182 P CA -0.190 62.913 63.100 0.005 0.000 0.850 182 P CB 0.275 32.030 31.700 0.092 0.000 1.324 183 Q N 3.086 122.870 119.800 -0.026 0.000 2.283 183 Q HA 0.088 4.428 4.340 0.001 0.000 0.301 183 Q C -1.979 173.996 176.000 -0.041 0.000 1.063 183 Q CA -1.204 54.587 55.803 -0.019 0.000 0.952 183 Q CB -0.039 28.711 28.738 0.020 0.000 1.166 183 Q HN 0.224 nan 8.270 nan 0.000 0.381 184 P HA 0.072 nan 4.420 nan 0.000 0.274 184 P C -1.140 176.000 177.300 -0.266 0.000 1.237 184 P CA -0.256 62.723 63.100 -0.202 0.000 0.793 184 P CB 0.661 32.192 31.700 -0.282 0.000 0.977 185 R N 2.039 122.422 120.500 -0.195 0.000 2.267 185 R HA 0.215 4.556 4.340 0.001 0.000 0.319 185 R C -0.564 175.629 176.300 -0.180 0.000 1.067 185 R CA -0.346 55.694 56.100 -0.100 0.000 0.936 185 R CB -0.190 30.082 30.300 -0.046 0.000 1.006 185 R HN 0.370 nan 8.270 nan 0.000 0.452 186 Y N 2.691 122.983 120.300 -0.013 0.000 2.319 186 Y HA 0.188 4.739 4.550 0.001 0.000 0.328 186 Y C 0.777 176.673 175.900 -0.007 0.000 1.133 186 Y CA 0.242 58.337 58.100 -0.009 0.000 1.265 186 Y CB 1.620 40.073 38.460 -0.012 0.000 1.218 186 Y HN 0.619 nan 8.280 nan 0.000 0.508 187 T N -1.176 113.442 114.554 0.107 0.000 2.900 187 T HA 0.192 4.543 4.350 0.001 0.000 0.303 187 T C 0.576 175.316 174.700 0.066 0.000 1.142 187 T CA -1.033 61.106 62.100 0.066 0.000 1.007 187 T CB 1.834 70.717 68.868 0.025 0.000 1.156 187 T HN 0.715 nan 8.240 nan 0.000 0.490 188 Q N 0.258 120.087 119.800 0.049 0.000 2.173 188 Q HA -0.148 4.192 4.340 0.001 0.000 0.208 188 Q C 1.225 177.248 176.000 0.039 0.000 0.989 188 Q CA 1.624 57.452 55.803 0.042 0.000 0.872 188 Q CB -0.173 28.582 28.738 0.029 0.000 0.909 188 Q HN 0.691 nan 8.270 nan 0.000 0.420 189 M N 0.453 120.072 119.600 0.031 0.000 2.495 189 M HA 0.055 4.536 4.480 0.001 0.000 0.237 189 M C -0.167 176.150 176.300 0.027 0.000 1.131 189 M CA 0.246 55.562 55.300 0.028 0.000 1.032 189 M CB -0.183 32.430 32.600 0.023 0.000 1.513 189 M HN 0.198 nan 8.290 nan 0.000 0.488 190 N N 2.055 120.772 118.700 0.028 0.000 2.725 190 N HA -0.184 4.557 4.740 0.001 0.000 0.251 190 N C 0.131 175.638 175.510 -0.006 0.000 1.031 190 N CA 0.741 53.797 53.050 0.010 0.000 0.720 190 N CB -1.069 37.433 38.487 0.025 0.000 0.930 190 N HN 0.472 nan 8.380 nan 0.000 0.543 191 D N 0.080 120.474 120.400 -0.010 0.000 2.218 191 D HA -0.105 4.536 4.640 0.001 0.000 0.204 191 D C 0.513 176.799 176.300 -0.023 0.000 0.976 191 D CA 0.922 54.916 54.000 -0.010 0.000 0.853 191 D CB 0.027 40.819 40.800 -0.015 0.000 0.939 191 D HN 0.409 nan 8.370 nan 0.000 0.481 192 N N 1.120 119.784 118.700 -0.061 0.000 2.714 192 N HA 0.043 4.783 4.740 0.001 0.000 0.298 192 N C 1.139 176.598 175.510 -0.085 0.000 1.298 192 N CA -0.033 52.971 53.050 -0.076 0.000 1.007 192 N CB 0.569 38.982 38.487 -0.124 0.000 1.318 192 N HN 0.420 nan 8.380 nan 0.000 0.516 193 R N -0.903 119.576 120.500 -0.036 0.000 2.312 193 R HA 0.127 4.468 4.340 0.001 0.000 0.205 193 R C 1.396 177.678 176.300 -0.030 0.000 0.904 193 R CA -0.028 56.042 56.100 -0.049 0.000 1.052 193 R CB -0.344 29.933 30.300 -0.038 0.000 1.014 193 R HN 0.225 nan 8.270 nan 0.000 0.503 194 H N 1.383 120.412 119.070 -0.067 0.000 2.289 194 H HA -0.097 4.459 4.556 0.001 0.000 0.296 194 H C 1.897 177.202 175.328 -0.039 0.000 1.091 194 H CA 2.496 58.521 56.048 -0.038 0.000 1.274 194 H CB -0.049 29.717 29.762 0.006 0.000 1.364 194 H HN 0.446 nan 8.280 nan 0.000 0.490 195 G N -0.762 108.088 108.800 0.084 0.000 2.418 195 G HA2 -0.251 3.710 3.960 0.001 0.000 0.217 195 G HA3 -0.251 3.710 3.960 0.001 0.000 0.217 195 G C 1.817 176.698 174.900 -0.031 0.000 1.158 195 G CA 1.308 46.432 45.100 0.040 0.000 0.771 195 G HN 0.391 nan 8.290 nan 0.000 0.545 196 T N 0.611 115.129 114.554 -0.061 0.000 2.746 196 T HA -0.083 4.267 4.350 0.001 0.000 0.267 196 T C 2.484 177.092 174.700 -0.154 0.000 1.039 196 T CA 1.130 63.178 62.100 -0.086 0.000 1.142 196 T CB -0.144 68.683 68.868 -0.068 0.000 0.866 196 T HN 0.264 nan 8.240 nan 0.000 0.444 197 R N 0.142 120.500 120.500 -0.237 0.000 2.096 197 R HA -0.046 4.295 4.340 0.001 0.000 0.235 197 R C 2.733 178.882 176.300 -0.251 0.000 1.127 197 R CA 1.347 57.217 56.100 -0.385 0.000 0.968 197 R CB -0.742 29.050 30.300 -0.846 0.000 0.861 197 R HN 0.393 nan 8.270 nan 0.000 0.440 198 C N 0.037 119.240 119.300 -0.163 0.000 2.440 198 C HA 0.019 4.480 4.460 0.001 0.000 0.278 198 C C 2.932 177.909 174.990 -0.021 0.000 1.295 198 C CA 0.533 59.528 59.018 -0.039 0.000 1.738 198 C CB -0.885 26.842 27.740 -0.022 0.000 1.987 198 C HN 0.577 nan 8.230 nan 0.000 0.492 199 A N 1.192 123.993 122.820 -0.032 0.000 1.865 199 A HA -0.007 4.313 4.320 0.001 0.000 0.217 199 A C 2.440 180.016 177.584 -0.014 0.000 1.191 199 A CA 2.223 54.256 52.037 -0.008 0.000 0.623 199 A CB -1.410 17.590 19.000 -0.000 0.000 0.826 199 A HN 0.537 nan 8.150 nan 0.000 0.444 200 G N -0.631 108.135 108.800 -0.057 0.000 2.442 200 G HA2 -0.244 3.717 3.960 0.001 0.000 0.219 200 G HA3 -0.244 3.717 3.960 0.001 0.000 0.219 200 G C 1.401 176.318 174.900 0.027 0.000 1.141 200 G CA 1.082 46.154 45.100 -0.047 0.000 0.763 200 G HN 0.688 nan 8.290 nan 0.000 0.554 201 E N -0.351 119.871 120.200 0.037 0.000 2.150 201 E HA -0.038 4.313 4.350 0.001 0.000 0.193 201 E C 2.645 179.300 176.600 0.092 0.000 0.985 201 E CA 0.695 57.143 56.400 0.081 0.000 0.814 201 E CB 0.053 29.786 29.700 0.055 0.000 0.752 201 E HN 0.378 nan 8.360 nan 0.000 0.466 202 V N 0.271 120.221 119.914 0.061 0.000 2.331 202 V HA -0.003 4.118 4.120 0.001 0.000 0.242 202 V C 1.338 177.477 176.094 0.074 0.000 1.034 202 V CA 1.543 63.879 62.300 0.059 0.000 1.027 202 V CB 0.226 32.067 31.823 0.030 0.000 0.667 202 V HN 0.233 nan 8.190 nan 0.000 0.457 203 A N -0.456 122.402 122.820 0.063 0.000 2.806 203 A HA 0.751 5.072 4.320 0.001 0.000 0.266 203 A C 0.399 178.024 177.584 0.068 0.000 0.926 203 A CA 0.239 52.317 52.037 0.068 0.000 1.068 203 A CB -0.183 18.841 19.000 0.040 0.000 1.189 203 A HN 0.424 nan 8.150 nan 0.000 0.481 204 A N 0.193 123.055 122.820 0.070 0.000 2.462 204 A HA 0.502 4.822 4.320 0.001 0.000 0.243 204 A C 0.542 178.154 177.584 0.046 0.000 1.076 204 A CA 0.033 52.094 52.037 0.040 0.000 0.773 204 A CB 0.014 19.033 19.000 0.032 0.000 1.010 204 A HN 0.797 nan 8.150 nan 0.000 0.493 205 V N 1.779 121.705 119.914 0.021 0.000 2.763 205 V HA 0.319 4.440 4.120 0.001 0.000 0.306 205 V C 1.027 177.058 176.094 -0.105 0.000 1.059 205 V CA 0.615 62.906 62.300 -0.015 0.000 1.138 205 V CB 0.437 32.258 31.823 -0.003 0.000 0.940 205 V HN 1.112 nan 8.190 nan 0.000 0.489 206 A N 4.068 126.743 122.820 -0.242 0.000 2.306 206 A HA 0.606 4.927 4.320 0.001 0.000 0.330 206 A C 0.724 178.092 177.584 -0.360 0.000 1.146 206 A CA -0.616 51.135 52.037 -0.476 0.000 0.827 206 A CB 0.272 18.548 19.000 -1.208 0.000 1.178 206 A HN 0.991 nan 8.150 nan 0.000 0.490 207 N N 0.626 119.118 118.700 -0.346 0.000 2.727 207 N HA -0.171 4.569 4.740 0.001 0.000 0.249 207 N C -0.043 175.379 175.510 -0.146 0.000 1.048 207 N CA 1.278 54.184 53.050 -0.240 0.000 0.714 207 N CB -0.846 37.485 38.487 -0.260 0.000 0.959 207 N HN 0.870 nan 8.380 nan 0.000 0.544 208 N N -1.375 117.258 118.700 -0.112 0.000 2.238 208 N HA 0.214 4.954 4.740 0.001 0.000 0.235 208 N C 1.027 176.513 175.510 -0.040 0.000 1.209 208 N CA 0.519 53.530 53.050 -0.064 0.000 0.879 208 N CB 0.096 38.555 38.487 -0.046 0.000 1.136 208 N HN 0.314 nan 8.380 nan 0.000 0.517 209 G N -0.129 108.644 108.800 -0.045 0.000 2.187 209 G HA2 -0.248 3.713 3.960 0.001 0.000 0.261 209 G HA3 -0.248 3.713 3.960 0.001 0.000 0.261 209 G C -0.528 174.371 174.900 -0.001 0.000 1.000 209 G CA 0.752 45.840 45.100 -0.021 0.000 0.718 209 G HN 0.343 nan 8.290 nan 0.000 0.519 210 V N -0.527 119.390 119.914 0.005 0.000 2.588 210 V HA 0.632 4.752 4.120 0.001 0.000 0.304 210 V C 1.537 177.661 176.094 0.051 0.000 1.042 210 V CA -0.340 61.980 62.300 0.034 0.000 0.877 210 V CB 0.768 32.620 31.823 0.049 0.000 0.996 210 V HN 1.167 nan 8.190 nan 0.000 0.425 211 c N 3.754 122.396 118.600 0.070 0.000 0.169 211 c HA -0.228 4.342 4.570 0.001 0.000 0.017 211 c C 1.691 175.832 174.090 0.085 0.000 0.171 211 c CA 1.742 58.121 56.329 0.083 0.000 0.499 211 c CB -1.176 41.394 42.510 0.099 0.000 3.212 211 c HN 1.386 nan 8.230 nan 0.000 1.118 212 G N -1.028 107.830 108.800 0.096 0.000 3.175 212 G HA2 0.711 4.671 3.960 0.001 0.000 0.153 212 G HA3 0.711 4.671 3.960 0.001 0.000 0.153 212 G C -0.488 174.471 174.900 0.099 0.000 1.216 212 G CA 0.650 45.831 45.100 0.135 0.000 0.943 212 G HN 2.150 nan 8.290 nan 0.000 0.611 213 V N -2.881 117.130 119.914 0.162 0.000 3.114 213 V HA 0.912 5.032 4.120 0.001 0.000 0.308 213 V C 0.168 176.408 176.094 0.244 0.000 1.168 213 V CA -0.172 62.198 62.300 0.116 0.000 1.015 213 V CB 1.405 33.204 31.823 -0.040 0.000 1.050 213 V HN 1.294 nan 8.190 nan 0.000 0.433 214 G N 0.395 109.341 108.800 0.245 0.000 2.477 214 G HA2 0.491 4.451 3.960 0.001 0.000 0.304 214 G HA3 0.491 4.451 3.960 0.001 0.000 0.304 214 G C 0.654 175.792 174.900 0.398 0.000 1.175 214 G CA -0.056 45.203 45.100 0.265 0.000 0.907 214 G HN 1.105 nan 8.290 nan 0.000 0.509 215 V N 1.041 121.159 119.914 0.339 0.000 2.332 215 V HA -0.099 4.021 4.120 0.001 0.000 0.248 215 V C 2.188 178.500 176.094 0.363 0.000 1.055 215 V CA 2.300 64.833 62.300 0.389 0.000 1.038 215 V CB -0.599 31.337 31.823 0.188 0.000 0.651 215 V HN 0.814 nan 8.190 nan 0.000 0.450 216 A N -0.534 122.379 122.820 0.155 0.000 3.173 216 A HA 0.441 4.762 4.320 0.001 0.000 0.304 216 A C 0.740 178.292 177.584 -0.054 0.000 1.318 216 A CA -0.543 51.492 52.037 -0.004 0.000 1.069 216 A CB -0.577 18.418 19.000 -0.009 0.000 1.147 216 A HN 0.606 nan 8.150 nan 0.000 0.547 217 Y N -0.783 119.492 120.300 -0.042 0.000 2.680 217 Y HA 0.023 4.574 4.550 0.001 0.000 0.303 217 Y C 0.890 176.683 175.900 -0.178 0.000 1.166 217 Y CA 0.625 58.650 58.100 -0.126 0.000 1.344 217 Y CB -0.486 37.844 38.460 -0.217 0.000 1.002 217 Y HN 0.451 nan 8.280 nan 0.000 0.537 218 N N 0.390 118.981 118.700 -0.183 0.000 2.187 218 N HA 0.324 5.065 4.740 0.001 0.000 0.212 218 N C 0.198 175.565 175.510 -0.239 0.000 1.152 218 N CA 0.463 53.336 53.050 -0.296 0.000 0.872 218 N CB 0.581 38.570 38.487 -0.830 0.000 1.025 218 N HN 0.395 nan 8.380 nan 0.000 0.514 219 A N 0.801 123.542 122.820 -0.132 0.000 2.287 219 A HA 0.493 4.814 4.320 0.001 0.000 0.273 219 A C 0.444 178.009 177.584 -0.032 0.000 1.091 219 A CA -0.313 51.681 52.037 -0.072 0.000 0.817 219 A CB 0.855 19.825 19.000 -0.051 0.000 1.069 219 A HN 0.001 nan 8.150 nan 0.000 0.492 220 R N -0.138 120.347 120.500 -0.023 0.000 2.349 220 R HA 0.477 4.818 4.340 0.001 0.000 0.299 220 R C -1.328 174.953 176.300 -0.031 0.000 1.027 220 R CA -0.432 55.655 56.100 -0.021 0.000 0.958 220 R CB 1.137 31.422 30.300 -0.027 0.000 1.047 220 R HN 0.582 nan 8.270 nan 0.000 0.468 221 I N 0.794 121.356 120.570 -0.014 0.000 2.465 221 I HA 0.531 4.702 4.170 0.001 0.000 0.291 221 I C -0.201 175.910 176.117 -0.009 0.000 1.014 221 I CA -0.245 61.056 61.300 0.002 0.000 1.093 221 I CB 1.984 40.012 38.000 0.047 0.000 1.267 221 I HN 0.678 nan 8.210 nan 0.000 0.431 222 G N 3.891 112.683 108.800 -0.013 0.000 2.714 222 G HA2 0.798 4.758 3.960 0.001 0.000 0.292 222 G HA3 0.798 4.758 3.960 0.001 0.000 0.292 222 G C -1.180 173.777 174.900 0.096 0.000 1.308 222 G CA -0.737 44.364 45.100 0.001 0.000 0.964 222 G HN 0.894 nan 8.290 nan 0.000 0.484 223 G N -1.468 107.429 108.800 0.160 0.000 2.682 223 G HA2 0.557 4.518 3.960 0.001 0.000 0.300 223 G HA3 0.557 4.518 3.960 0.001 0.000 0.300 223 G C -1.608 173.384 174.900 0.154 0.000 1.391 223 G CA -0.406 44.783 45.100 0.148 0.000 0.990 223 G HN 0.832 nan 8.290 nan 0.000 0.501 224 V N 1.788 121.790 119.914 0.146 0.000 2.378 224 V HA 0.430 4.551 4.120 0.001 0.000 0.288 224 V C 0.428 176.582 176.094 0.100 0.000 1.016 224 V CA -0.865 61.531 62.300 0.160 0.000 0.840 224 V CB 1.337 33.276 31.823 0.192 0.000 0.994 224 V HN 0.780 nan 8.190 nan 0.000 0.431 225 R N 5.134 125.679 120.500 0.074 0.000 2.272 225 R HA 0.375 4.716 4.340 0.001 0.000 0.334 225 R C 0.473 176.773 176.300 0.000 0.000 1.117 225 R CA -0.103 56.005 56.100 0.015 0.000 0.966 225 R CB 0.326 30.622 30.300 -0.006 0.000 1.049 225 R HN 0.812 nan 8.270 nan 0.000 0.477 226 M N 2.624 122.186 119.600 -0.062 0.000 2.215 226 M HA 0.190 4.671 4.480 0.001 0.000 0.391 226 M C -0.284 175.880 176.300 -0.228 0.000 0.914 226 M CA 0.353 55.584 55.300 -0.115 0.000 1.035 226 M CB 0.661 33.198 32.600 -0.105 0.000 1.944 226 M HN 0.378 nan 8.290 nan 0.000 0.656 227 L N -0.157 120.919 121.223 -0.245 0.000 2.590 227 L HA 0.278 4.619 4.340 0.001 0.000 0.227 227 L C 0.416 177.179 176.870 -0.179 0.000 1.099 227 L CA 0.113 54.779 54.840 -0.291 0.000 0.872 227 L CB 0.182 42.036 42.059 -0.341 0.000 1.088 227 L HN 0.240 nan 8.230 nan 0.000 0.479 228 D N 1.393 121.717 120.400 -0.127 0.000 2.845 228 D HA 0.402 5.043 4.640 0.001 0.000 0.235 228 D C 0.384 176.640 176.300 -0.074 0.000 1.158 228 D CA 0.417 54.362 54.000 -0.091 0.000 0.990 228 D CB -0.083 40.672 40.800 -0.075 0.000 1.094 228 D HN 0.316 nan 8.370 nan 0.000 0.486 229 G N 0.490 109.241 108.800 -0.081 0.000 2.344 229 G HA2 0.000 3.961 3.960 0.001 0.000 0.282 229 G HA3 0.000 3.961 3.960 0.001 0.000 0.282 229 G C -1.232 173.627 174.900 -0.068 0.000 1.281 229 G CA -0.945 44.118 45.100 -0.061 0.000 0.877 229 G HN 0.171 nan 8.290 nan 0.000 0.494 230 E N 0.009 120.179 120.200 -0.051 0.000 2.217 230 E HA 0.389 4.740 4.350 0.001 0.000 0.279 230 E C -0.166 176.396 176.600 -0.064 0.000 1.068 230 E CA -0.370 56.002 56.400 -0.047 0.000 0.882 230 E CB 0.859 30.543 29.700 -0.027 0.000 1.039 230 E HN 0.263 nan 8.360 nan 0.000 0.418 231 V N 6.496 126.359 119.914 -0.085 0.000 2.223 231 V HA 0.040 4.161 4.120 0.001 0.000 0.249 231 V C 0.740 176.800 176.094 -0.057 0.000 1.233 231 V CA -0.178 62.051 62.300 -0.118 0.000 1.131 231 V CB -0.412 31.288 31.823 -0.206 0.000 1.298 231 V HN 0.761 nan 8.190 nan 0.000 0.498 232 T N -0.863 113.670 114.554 -0.034 0.000 2.754 232 T HA 0.133 4.484 4.350 0.001 0.000 0.286 232 T C 1.071 175.780 174.700 0.014 0.000 0.997 232 T CA -0.107 61.992 62.100 -0.003 0.000 0.982 232 T CB 1.200 70.066 68.868 -0.003 0.000 1.027 232 T HN 0.431 nan 8.240 nan 0.000 0.529 233 D N 0.678 121.096 120.400 0.032 0.000 2.104 233 D HA -0.090 4.551 4.640 0.001 0.000 0.194 233 D C 2.290 178.600 176.300 0.017 0.000 0.994 233 D CA 1.815 55.841 54.000 0.043 0.000 0.830 233 D CB -0.688 40.134 40.800 0.037 0.000 0.959 233 D HN 0.711 nan 8.370 nan 0.000 0.452 234 A N -0.176 122.646 122.820 0.004 0.000 1.972 234 A HA -0.104 4.216 4.320 0.001 0.000 0.219 234 A C 2.552 180.128 177.584 -0.013 0.000 1.169 234 A CA 1.517 53.549 52.037 -0.008 0.000 0.635 234 A CB -0.714 18.282 19.000 -0.007 0.000 0.810 234 A HN 0.224 nan 8.150 nan 0.000 0.446 235 V N 0.143 120.050 119.914 -0.012 0.000 2.307 235 V HA -0.251 3.869 4.120 0.001 0.000 0.245 235 V C 2.417 178.499 176.094 -0.019 0.000 1.045 235 V CA 2.243 64.530 62.300 -0.021 0.000 1.024 235 V CB -0.769 31.028 31.823 -0.043 0.000 0.651 235 V HN 0.650 nan 8.190 nan 0.000 0.449 236 E N 0.417 120.615 120.200 -0.003 0.000 2.072 236 E HA -0.180 4.171 4.350 0.001 0.000 0.191 236 E C 2.323 178.921 176.600 -0.005 0.000 0.985 236 E CA 1.278 57.709 56.400 0.052 0.000 0.801 236 E CB -0.343 29.458 29.700 0.168 0.000 0.750 236 E HN 0.588 nan 8.360 nan 0.000 0.452 237 A N 1.641 124.437 122.820 -0.040 0.000 1.933 237 A HA -0.182 4.139 4.320 0.001 0.000 0.218 237 A C 2.072 179.606 177.584 -0.084 0.000 1.175 237 A CA 1.208 53.190 52.037 -0.093 0.000 0.628 237 A CB -0.343 18.615 19.000 -0.070 0.000 0.814 237 A HN 0.078 nan 8.150 nan 0.000 0.444 238 R N -0.465 120.001 120.500 -0.056 0.000 2.115 238 R HA -0.003 4.337 4.340 0.001 0.000 0.226 238 R C 2.372 178.647 176.300 -0.042 0.000 1.100 238 R CA 1.310 57.370 56.100 -0.067 0.000 0.980 238 R CB -0.241 30.016 30.300 -0.072 0.000 0.875 238 R HN 0.502 nan 8.270 nan 0.000 0.445 239 S N 1.323 117.024 115.700 0.001 0.000 2.357 239 S HA -0.008 4.463 4.470 0.001 0.000 0.221 239 S C 1.975 176.614 174.600 0.065 0.000 1.031 239 S CA 0.855 59.099 58.200 0.073 0.000 0.982 239 S CB -0.112 63.153 63.200 0.109 0.000 0.853 239 S HN 0.173 nan 8.310 nan 0.000 0.458 240 L N 0.854 122.047 121.223 -0.050 0.000 2.191 240 L HA -0.010 4.330 4.340 0.001 0.000 0.212 240 L C 2.116 178.832 176.870 -0.257 0.000 1.103 240 L CA 1.031 55.734 54.840 -0.228 0.000 0.769 240 L CB -0.547 41.218 42.059 -0.491 0.000 0.908 240 L HN 0.395 nan 8.230 nan 0.000 0.438 241 G N -0.416 108.309 108.800 -0.125 0.000 3.523 241 G HA2 0.226 4.186 3.960 0.001 0.000 0.270 241 G HA3 0.226 4.186 3.960 0.001 0.000 0.270 241 G C 0.013 174.925 174.900 0.020 0.000 1.134 241 G CA -0.357 44.707 45.100 -0.060 0.000 0.825 241 G HN 0.043 nan 8.290 nan 0.000 0.534 242 L N 0.476 121.762 121.223 0.106 0.000 2.369 242 L HA 0.377 4.717 4.340 0.001 0.000 0.279 242 L C 0.119 177.099 176.870 0.182 0.000 1.108 242 L CA -0.306 54.604 54.840 0.117 0.000 0.852 242 L CB -0.200 41.953 42.059 0.156 0.000 1.169 242 L HN 0.250 nan 8.230 nan 0.000 0.452 243 N N 3.666 122.414 118.700 0.080 0.000 2.688 243 N HA -0.188 4.553 4.740 0.001 0.000 0.258 243 N C -2.067 173.508 175.510 0.108 0.000 1.016 243 N CA 0.820 53.917 53.050 0.078 0.000 0.747 243 N CB -0.700 37.839 38.487 0.086 0.000 0.895 243 N HN 0.551 nan 8.380 nan 0.000 0.543 244 P HA -0.168 nan 4.420 nan 0.000 0.218 244 P C 0.283 177.605 177.300 0.036 0.000 1.146 244 P CA 1.320 64.484 63.100 0.106 0.000 0.813 244 P CB 0.126 31.859 31.700 0.056 0.000 0.778 245 N N -3.182 115.532 118.700 0.022 0.000 2.280 245 N HA -0.024 4.717 4.740 0.001 0.000 0.192 245 N C 1.253 176.748 175.510 -0.025 0.000 1.109 245 N CA -0.012 53.037 53.050 -0.000 0.000 0.855 245 N CB -0.042 38.458 38.487 0.020 0.000 0.974 245 N HN 0.234 nan 8.380 nan 0.000 0.482 246 H N 0.067 119.039 119.070 -0.162 0.000 2.521 246 H HA 0.346 4.902 4.556 0.000 0.000 0.267 246 H C 0.075 175.153 175.328 -0.417 0.000 0.963 246 H CA 0.079 55.990 56.048 -0.228 0.000 1.175 246 H CB 0.566 30.245 29.762 -0.138 0.000 1.450 246 H HN -0.095 nan 8.280 nan 0.000 0.472 247 I N 1.590 121.926 120.570 -0.391 0.000 2.371 247 I HA 0.096 4.267 4.170 0.001 0.000 0.290 247 I C 0.473 176.245 176.117 -0.575 0.000 1.028 247 I CA -0.023 60.944 61.300 -0.556 0.000 1.345 247 I CB 1.388 39.046 38.000 -0.570 0.000 1.407 247 I HN 0.433 nan 8.210 nan 0.000 0.501 248 H N 5.264 124.156 119.070 -0.297 0.000 2.451 248 H HA 0.365 4.921 4.556 0.001 0.000 0.294 248 H C -0.103 175.104 175.328 -0.202 0.000 1.028 248 H CA 0.563 56.495 56.048 -0.194 0.000 1.349 248 H CB 0.351 30.025 29.762 -0.146 0.000 1.444 248 H HN 0.378 nan 8.280 nan 0.000 0.538 249 I N 0.661 121.135 120.570 -0.160 0.000 2.498 249 I HA 0.207 4.378 4.170 0.001 0.000 0.290 249 I C -1.367 174.608 176.117 -0.238 0.000 1.032 249 I CA -0.919 60.309 61.300 -0.120 0.000 1.073 249 I CB 2.025 40.003 38.000 -0.036 0.000 1.251 249 I HN 0.029 nan 8.210 nan 0.000 0.426 250 Y N 3.444 123.727 120.300 -0.027 0.000 2.352 250 Y HA 0.463 5.014 4.550 0.002 0.000 0.339 250 Y C 0.387 176.329 175.900 0.069 0.000 0.992 250 Y CA -0.614 57.525 58.100 0.066 0.000 1.100 250 Y CB 2.074 40.662 38.460 0.213 0.000 1.192 250 Y HN 0.406 nan 8.280 nan 0.000 0.458 251 S N 2.601 118.384 115.700 0.139 0.000 2.530 251 S HA 0.827 5.297 4.470 0.001 0.000 0.322 251 S C -0.925 173.597 174.600 -0.130 0.000 1.085 251 S CA -0.503 57.702 58.200 0.008 0.000 1.096 251 S CB 0.124 63.326 63.200 0.003 0.000 0.988 251 S HN 0.750 nan 8.310 nan 0.000 0.466 252 A N 3.982 126.499 122.820 -0.504 0.000 2.285 252 A HA 0.629 4.949 4.320 0.001 0.000 0.310 252 A C -0.003 176.936 177.584 -1.075 0.000 1.266 252 A CA -0.592 50.835 52.037 -1.016 0.000 0.832 252 A CB 0.893 18.485 19.000 -2.348 0.000 1.163 252 A HN 0.654 nan 8.150 nan 0.000 0.499 253 S N 4.559 120.025 115.700 -0.389 0.000 3.334 253 S HA 0.467 4.938 4.470 0.001 0.000 0.188 253 S C -0.623 174.035 174.600 0.097 0.000 1.404 253 S CA -0.491 57.638 58.200 -0.118 0.000 1.040 253 S CB -0.685 62.608 63.200 0.154 0.000 1.352 253 S HN 0.764 nan 8.310 nan 0.000 0.501 254 W N -0.689 120.549 121.300 -0.104 0.000 2.989 254 W HA 0.695 5.355 4.660 -0.000 0.000 0.344 254 W C -0.307 176.314 176.519 0.170 0.000 1.233 254 W CA -1.037 56.300 57.345 -0.014 0.000 1.187 254 W CB 0.564 29.970 29.460 -0.090 0.000 1.443 254 W HN 0.372 nan 8.180 nan 0.000 0.573 255 G N 0.364 109.451 108.800 0.477 0.000 2.325 255 G HA2 0.511 4.472 3.960 0.001 0.000 0.295 255 G HA3 0.511 4.472 3.960 0.001 0.000 0.295 255 G C -3.290 171.760 174.900 0.251 0.000 1.274 255 G CA -0.957 44.328 45.100 0.307 0.000 0.857 255 G HN 0.269 nan 8.290 nan 0.000 0.499 256 P HA 0.371 nan 4.420 nan 0.000 0.271 256 P C -0.212 177.169 177.300 0.135 0.000 1.233 256 P CA -0.255 62.956 63.100 0.186 0.000 0.789 256 P CB 0.510 32.334 31.700 0.206 0.000 0.951 257 E N 0.920 121.178 120.200 0.097 0.000 2.608 257 E HA -0.091 4.260 4.350 0.001 0.000 0.259 257 E C -0.272 176.371 176.600 0.072 0.000 0.951 257 E CA 0.854 57.296 56.400 0.071 0.000 0.945 257 E CB -0.238 29.492 29.700 0.049 0.000 0.916 257 E HN 0.225 nan 8.360 nan 0.000 0.477 258 D N 3.912 124.353 120.400 0.068 0.000 3.072 258 D HA 0.014 4.655 4.640 0.001 0.000 0.250 258 D C -0.241 176.091 176.300 0.054 0.000 1.304 258 D CA 0.023 54.064 54.000 0.069 0.000 0.861 258 D CB 0.135 40.979 40.800 0.074 0.000 1.062 258 D HN 0.472 nan 8.370 nan 0.000 0.481 259 D N -1.089 119.334 120.400 0.039 0.000 2.339 259 D HA 0.052 4.693 4.640 0.001 0.000 0.217 259 D C 1.540 177.855 176.300 0.024 0.000 1.050 259 D CA 0.085 54.092 54.000 0.011 0.000 0.856 259 D CB 0.030 40.830 40.800 0.000 0.000 0.922 259 D HN 0.190 nan 8.370 nan 0.000 0.518 260 G N 0.636 109.470 108.800 0.057 0.000 2.143 260 G HA2 -0.362 3.598 3.960 0.001 0.000 0.248 260 G HA3 -0.362 3.598 3.960 0.001 0.000 0.248 260 G C 0.865 175.800 174.900 0.057 0.000 0.991 260 G CA 0.631 45.784 45.100 0.088 0.000 0.689 260 G HN 0.482 nan 8.290 nan 0.000 0.522 261 K N -0.934 119.481 120.400 0.025 0.000 2.464 261 K HA 0.221 4.541 4.320 0.001 0.000 0.206 261 K C 1.121 177.701 176.600 -0.033 0.000 1.186 261 K CA 0.732 57.016 56.287 -0.006 0.000 0.990 261 K CB 0.961 33.472 32.500 0.018 0.000 1.003 261 K HN 0.395 nan 8.250 nan 0.000 0.562 262 T N -0.273 114.268 114.554 -0.022 0.000 2.902 262 T HA 0.487 4.837 4.350 0.001 0.000 0.283 262 T C -0.596 174.047 174.700 -0.094 0.000 1.009 262 T CA -0.606 61.466 62.100 -0.048 0.000 1.051 262 T CB 1.363 70.227 68.868 -0.007 0.000 0.999 262 T HN -0.201 nan 8.240 nan 0.000 0.474 263 V N 4.266 124.074 119.914 -0.176 0.000 2.409 263 V HA 0.612 4.732 4.120 0.001 0.000 0.290 263 V C -0.751 175.178 176.094 -0.275 0.000 1.017 263 V CA -0.627 61.457 62.300 -0.360 0.000 0.841 263 V CB 1.204 32.683 31.823 -0.574 0.000 1.003 263 V HN 1.083 nan 8.190 nan 0.000 0.426 264 D N 2.660 122.992 120.400 -0.113 0.000 2.655 264 D HA 0.800 5.441 4.640 0.001 0.000 0.229 264 D C -0.163 176.327 176.300 0.317 0.000 1.229 264 D CA 0.230 54.292 54.000 0.104 0.000 0.807 264 D CB 2.527 43.407 40.800 0.133 0.000 1.514 264 D HN 0.749 nan 8.370 nan 0.000 0.444 265 G N 0.332 109.310 108.800 0.298 0.000 2.682 265 G HA2 0.615 4.576 3.960 0.001 0.000 0.303 265 G HA3 0.615 4.576 3.960 0.001 0.000 0.303 265 G C -2.794 172.040 174.900 -0.111 0.000 1.341 265 G CA -1.025 44.107 45.100 0.053 0.000 0.784 265 G HN 0.423 nan 8.290 nan 0.000 0.497 266 P HA 0.394 nan 4.420 nan 0.000 0.269 266 P C 0.158 177.445 177.300 -0.021 0.000 1.209 266 P CA 0.289 63.269 63.100 -0.201 0.000 0.776 266 P CB 1.418 32.964 31.700 -0.255 0.000 0.876 267 A N 3.675 126.531 122.820 0.060 0.000 2.621 267 A HA 0.290 4.610 4.320 0.001 0.000 0.267 267 A C 1.798 179.392 177.584 0.016 0.000 1.506 267 A CA -0.237 51.826 52.037 0.044 0.000 0.873 267 A CB -0.089 18.948 19.000 0.062 0.000 1.577 267 A HN 0.372 nan 8.150 nan 0.000 0.536 268 R N -1.223 119.284 120.500 0.012 0.000 2.097 268 R HA -0.124 4.217 4.340 0.001 0.000 0.236 268 R C 1.983 178.277 176.300 -0.010 0.000 1.135 268 R CA 2.163 58.262 56.100 -0.002 0.000 0.934 268 R CB -0.764 29.535 30.300 -0.001 0.000 0.846 268 R HN 0.657 nan 8.270 nan 0.000 0.431 269 L N -0.629 120.588 121.223 -0.010 0.000 2.093 269 L HA -0.097 4.243 4.340 0.001 0.000 0.208 269 L C 2.466 179.303 176.870 -0.054 0.000 1.085 269 L CA 1.196 56.021 54.840 -0.026 0.000 0.755 269 L CB -0.557 41.489 42.059 -0.022 0.000 0.904 269 L HN 0.313 nan 8.230 nan 0.000 0.435 270 A N -0.057 122.736 122.820 -0.046 0.000 1.898 270 A HA -0.237 4.083 4.320 0.001 0.000 0.216 270 A C 2.168 179.674 177.584 -0.131 0.000 1.181 270 A CA 1.727 53.695 52.037 -0.116 0.000 0.620 270 A CB -0.397 18.595 19.000 -0.013 0.000 0.819 270 A HN 0.361 nan 8.150 nan 0.000 0.442 271 E N 0.388 120.578 120.200 -0.018 0.000 2.077 271 E HA -0.191 4.159 4.350 0.001 0.000 0.193 271 E C 1.871 178.480 176.600 0.015 0.000 0.989 271 E CA 1.813 58.243 56.400 0.051 0.000 0.800 271 E CB -0.253 29.454 29.700 0.013 0.000 0.746 271 E HN 0.712 nan 8.360 nan 0.000 0.452 272 E N -0.349 119.837 120.200 -0.024 0.000 2.077 272 E HA -0.189 4.161 4.350 0.001 0.000 0.193 272 E C 2.048 178.616 176.600 -0.053 0.000 0.989 272 E CA 0.893 57.284 56.400 -0.016 0.000 0.800 272 E CB -0.226 29.463 29.700 -0.019 0.000 0.746 272 E HN 0.384 nan 8.360 nan 0.000 0.452 273 A N 0.863 123.604 122.820 -0.131 0.000 1.883 273 A HA -0.200 4.120 4.320 0.001 0.000 0.217 273 A C 1.966 179.392 177.584 -0.264 0.000 1.186 273 A CA 1.260 53.172 52.037 -0.208 0.000 0.624 273 A CB -0.950 17.870 19.000 -0.299 0.000 0.822 273 A HN 0.226 nan 8.150 nan 0.000 0.444 274 F N -1.871 117.858 119.950 -0.368 0.000 2.095 274 F HA -0.176 4.350 4.527 -0.001 0.000 0.298 274 F C 2.158 177.514 175.800 -0.739 0.000 1.104 274 F CA 1.654 59.279 58.000 -0.625 0.000 1.232 274 F CB -0.324 38.324 39.000 -0.588 0.000 0.987 274 F HN 0.349 nan 8.300 nan 0.000 0.475 275 F N 0.643 120.220 119.950 -0.621 0.000 2.206 275 F HA -0.115 4.413 4.527 0.001 0.000 0.298 275 F C 2.608 178.196 175.800 -0.354 0.000 1.090 275 F CA 1.236 58.816 58.000 -0.701 0.000 1.323 275 F CB -0.299 38.443 39.000 -0.430 0.000 1.028 275 F HN -0.259 nan 8.300 nan 0.000 0.492 276 R N 0.162 120.548 120.500 -0.190 0.000 2.081 276 R HA -0.115 4.226 4.340 0.001 0.000 0.235 276 R C 2.420 178.596 176.300 -0.206 0.000 1.131 276 R CA 1.554 57.557 56.100 -0.161 0.000 0.960 276 R CB -1.038 29.225 30.300 -0.061 0.000 0.856 276 R HN 0.431 nan 8.270 nan 0.000 0.436 277 G N -0.261 108.457 108.800 -0.137 0.000 2.408 277 G HA2 -0.180 3.781 3.960 0.001 0.000 0.217 277 G HA3 -0.180 3.781 3.960 0.001 0.000 0.217 277 G C 1.337 176.136 174.900 -0.167 0.000 1.150 277 G CA 0.507 45.584 45.100 -0.039 0.000 0.776 277 G HN 0.251 nan 8.290 nan 0.000 0.542 278 V N 0.639 120.334 119.914 -0.366 0.000 2.809 278 V HA -0.071 4.050 4.120 0.001 0.000 0.256 278 V C 2.837 178.593 176.094 -0.564 0.000 1.080 278 V CA 2.104 63.976 62.300 -0.713 0.000 1.102 278 V CB 0.247 31.309 31.823 -1.269 0.000 0.705 278 V HN 0.365 nan 8.190 nan 0.000 0.475 279 S N -0.998 114.383 115.700 -0.532 0.000 2.441 279 S HA -0.013 4.458 4.470 0.001 0.000 0.224 279 S C 1.696 176.213 174.600 -0.137 0.000 1.043 279 S CA 0.495 58.489 58.200 -0.344 0.000 0.948 279 S CB 0.130 63.028 63.200 -0.504 0.000 0.810 279 S HN 0.643 nan 8.310 nan 0.000 0.504 280 Q N 0.542 120.264 119.800 -0.130 0.000 2.316 280 Q HA 0.276 4.616 4.340 0.001 0.000 0.235 280 Q C 1.048 177.033 176.000 -0.025 0.000 0.863 280 Q CA -0.074 55.698 55.803 -0.051 0.000 0.939 280 Q CB 0.347 29.059 28.738 -0.043 0.000 1.108 280 Q HN 0.437 nan 8.270 nan 0.000 0.522 281 G N 0.891 109.668 108.800 -0.039 0.000 2.690 281 G HA2 0.028 3.989 3.960 0.001 0.000 0.239 281 G HA3 0.028 3.989 3.960 0.001 0.000 0.239 281 G C -0.334 174.578 174.900 0.021 0.000 1.233 281 G CA -0.385 44.711 45.100 -0.006 0.000 0.847 281 G HN 0.315 nan 8.290 nan 0.000 0.588 282 R N -0.572 119.945 120.500 0.029 0.000 3.322 282 R HA -0.192 4.149 4.340 0.001 0.000 0.253 282 R C 1.442 177.778 176.300 0.059 0.000 0.987 282 R CA 0.772 56.906 56.100 0.055 0.000 0.666 282 R CB -1.654 28.704 30.300 0.098 0.000 1.072 282 R HN 1.997 nan 8.270 nan 0.000 0.447 283 G N -1.485 107.340 108.800 0.042 0.000 2.321 283 G HA2 -0.149 3.812 3.960 0.001 0.000 0.287 283 G HA3 -0.149 3.812 3.960 0.001 0.000 0.287 283 G C 0.989 175.917 174.900 0.047 0.000 1.018 283 G CA 1.073 46.198 45.100 0.042 0.000 0.855 283 G HN 1.459 nan 8.290 nan 0.000 0.507 284 G N -1.883 106.944 108.800 0.045 0.000 2.195 284 G HA2 -0.254 3.706 3.960 0.001 0.000 0.224 284 G HA3 -0.254 3.706 3.960 0.001 0.000 0.224 284 G C 1.163 176.120 174.900 0.096 0.000 0.990 284 G CA 0.671 45.804 45.100 0.056 0.000 0.639 284 G HN 1.138 nan 8.290 nan 0.000 0.514 285 L N 0.892 122.179 121.223 0.106 0.000 2.313 285 L HA 0.439 4.779 4.340 0.001 0.000 0.214 285 L C 1.569 178.583 176.870 0.239 0.000 1.119 285 L CA 0.968 55.898 54.840 0.150 0.000 0.809 285 L CB -0.360 41.770 42.059 0.118 0.000 0.933 285 L HN 1.261 nan 8.230 nan 0.000 0.449 286 G N -0.096 108.799 108.800 0.158 0.000 3.055 286 G HA2 -0.167 3.793 3.960 0.001 0.000 0.686 286 G HA3 -0.167 3.793 3.960 0.001 0.000 0.686 286 G C -0.360 174.562 174.900 0.036 0.000 1.087 286 G CA -0.677 44.487 45.100 0.106 0.000 0.779 286 G HN -0.001 nan 8.290 nan 0.000 0.599 287 S N 0.587 116.213 115.700 -0.123 0.000 2.579 287 S HA 0.456 4.927 4.470 0.001 0.000 0.275 287 S C 0.956 175.342 174.600 -0.356 0.000 1.345 287 S CA 0.054 58.102 58.200 -0.254 0.000 1.031 287 S CB 0.699 63.582 63.200 -0.528 0.000 0.892 287 S HN 0.597 nan 8.310 nan 0.000 0.529 288 I N 2.877 123.299 120.570 -0.247 0.000 2.330 288 I HA 0.308 4.478 4.170 0.001 0.000 0.289 288 I C -1.112 174.939 176.117 -0.110 0.000 1.001 288 I CA -0.222 61.028 61.300 -0.084 0.000 1.193 288 I CB 0.594 38.621 38.000 0.045 0.000 1.345 288 I HN 0.476 nan 8.210 nan 0.000 0.461 289 F N 6.168 126.305 119.950 0.312 0.000 2.361 289 F HA 0.409 4.936 4.527 0.000 0.000 0.364 289 F C 0.096 176.099 175.800 0.340 0.000 1.120 289 F CA -0.899 57.330 58.000 0.381 0.000 1.102 289 F CB 1.197 40.501 39.000 0.508 0.000 1.183 289 F HN 0.050 nan 8.300 nan 0.000 0.476 290 V N 3.716 123.871 119.914 0.402 0.000 2.394 290 V HA 0.268 4.388 4.120 0.001 0.000 0.282 290 V C -0.563 175.668 176.094 0.229 0.000 1.031 290 V CA -0.831 61.629 62.300 0.266 0.000 0.881 290 V CB 1.397 33.297 31.823 0.130 0.000 0.982 290 V HN 0.720 nan 8.190 nan 0.000 0.451 291 W N 2.762 124.098 121.300 0.061 0.000 2.844 291 W HA 0.726 5.387 4.660 0.001 0.000 0.340 291 W C -0.198 176.312 176.519 -0.015 0.000 1.093 291 W CA -1.012 56.328 57.345 -0.008 0.000 1.212 291 W CB 2.412 31.858 29.460 -0.022 0.000 1.422 291 W HN 0.596 nan 8.180 nan 0.000 0.515 292 A N 1.999 124.865 122.820 0.077 0.000 2.362 292 A HA 0.297 4.618 4.320 0.001 0.000 0.276 292 A C 1.099 178.812 177.584 0.214 0.000 1.153 292 A CA 0.318 52.412 52.037 0.094 0.000 0.813 292 A CB 0.690 19.694 19.000 0.006 0.000 1.081 292 A HN 0.652 nan 8.150 nan 0.000 0.507 293 S N 2.282 118.075 115.700 0.155 0.000 2.474 293 S HA 0.368 4.838 4.470 0.001 0.000 0.235 293 S C 0.949 175.625 174.600 0.127 0.000 0.997 293 S CA 0.661 58.946 58.200 0.141 0.000 0.949 293 S CB -0.562 62.694 63.200 0.094 0.000 0.766 293 S HN 2.570 nan 8.310 nan 0.000 0.517 294 G N 0.453 109.322 108.800 0.115 0.000 2.402 294 G HA2 0.067 4.027 3.960 0.001 0.000 0.666 294 G HA3 0.067 4.027 3.960 0.001 0.000 0.666 294 G C -0.769 174.181 174.900 0.085 0.000 1.402 294 G CA -0.564 44.597 45.100 0.101 0.000 0.920 294 G HN 0.120 nan 8.290 nan 0.000 0.651 295 N N 0.057 118.793 118.700 0.059 0.000 2.275 295 N HA 0.199 4.939 4.740 0.001 0.000 0.236 295 N C 1.548 177.092 175.510 0.058 0.000 1.154 295 N CA 0.558 53.630 53.050 0.037 0.000 0.866 295 N CB 1.295 39.733 38.487 -0.080 0.000 1.093 295 N HN 0.927 nan 8.380 nan 0.000 0.515 296 G N -0.267 108.575 108.800 0.069 0.000 3.327 296 G HA2 0.107 4.068 3.960 0.001 0.000 0.240 296 G HA3 0.107 4.068 3.960 0.001 0.000 0.240 296 G C 1.359 176.297 174.900 0.063 0.000 1.222 296 G CA 0.154 45.300 45.100 0.077 0.000 0.871 296 G HN 0.260 nan 8.290 nan 0.000 0.525 297 G N 1.015 109.841 108.800 0.044 0.000 2.491 297 G HA2 -0.276 3.684 3.960 0.001 0.000 0.218 297 G HA3 -0.276 3.684 3.960 0.001 0.000 0.218 297 G C 1.705 176.590 174.900 -0.025 0.000 1.180 297 G CA 0.663 45.762 45.100 -0.001 0.000 0.774 297 G HN 0.461 nan 8.290 nan 0.000 0.562 298 R N 0.179 120.751 120.500 0.120 0.000 2.159 298 R HA -0.071 4.270 4.340 0.001 0.000 0.237 298 R C 1.528 177.786 176.300 -0.070 0.000 1.131 298 R CA 1.186 57.328 56.100 0.070 0.000 0.982 298 R CB 0.042 30.494 30.300 0.253 0.000 0.868 298 R HN 0.269 nan 8.270 nan 0.000 0.453 299 E N -0.546 119.657 120.200 0.005 0.000 2.463 299 E HA -0.005 4.345 4.350 0.001 0.000 0.193 299 E C -0.355 176.367 176.600 0.203 0.000 1.041 299 E CA 0.061 56.539 56.400 0.130 0.000 0.879 299 E CB 0.056 29.807 29.700 0.085 0.000 0.997 299 E HN 0.316 nan 8.360 nan 0.000 0.478 300 H N 0.073 119.224 119.070 0.135 0.000 2.862 300 H HA -0.169 4.388 4.556 0.001 0.000 0.290 300 H C -0.007 175.352 175.328 0.052 0.000 1.211 300 H CA 0.960 57.048 56.048 0.067 0.000 1.140 300 H CB -1.529 28.249 29.762 0.027 0.000 1.341 300 H HN 0.245 nan 8.280 nan 0.000 0.392 301 D N 0.537 121.009 120.400 0.120 0.000 2.368 301 D HA 0.234 4.875 4.640 0.001 0.000 0.240 301 D C 0.217 176.562 176.300 0.076 0.000 1.169 301 D CA 0.308 54.365 54.000 0.095 0.000 0.906 301 D CB 0.920 41.769 40.800 0.081 0.000 1.187 301 D HN 0.239 nan 8.370 nan 0.000 0.435 302 S N 0.775 116.519 115.700 0.074 0.000 2.519 302 S HA 0.263 4.733 4.470 0.001 0.000 0.309 302 S C 1.145 175.798 174.600 0.088 0.000 1.100 302 S CA -0.810 57.432 58.200 0.070 0.000 1.059 302 S CB 0.164 63.406 63.200 0.071 0.000 1.008 302 S HN 0.606 nan 8.310 nan 0.000 0.478 303 c N 3.669 122.318 118.600 0.081 0.000 2.485 303 c HA 0.175 4.746 4.570 0.001 0.000 0.283 303 c C 1.809 175.968 174.090 0.114 0.000 1.478 303 c CA -0.284 56.100 56.329 0.092 0.000 1.741 303 c CB -1.903 40.652 42.510 0.074 0.000 1.675 303 c HN 0.803 nan 8.230 nan 0.000 0.573 304 N N 0.229 119.016 118.700 0.146 0.000 2.467 304 N HA 0.030 4.771 4.740 0.001 0.000 0.184 304 N C 0.877 176.590 175.510 0.338 0.000 1.106 304 N CA 0.588 53.765 53.050 0.212 0.000 0.892 304 N CB -0.261 38.399 38.487 0.288 0.000 0.969 304 N HN 0.610 nan 8.380 nan 0.000 0.454 305 C N 0.250 119.689 119.300 0.230 0.000 2.693 305 C HA 0.195 4.655 4.460 0.001 0.000 0.286 305 C C 0.539 175.634 174.990 0.175 0.000 1.277 305 C CA -0.855 58.227 59.018 0.106 0.000 1.705 305 C CB -1.035 26.713 27.740 0.012 0.000 1.879 305 C HN 0.191 nan 8.230 nan 0.000 0.607 306 D N 0.267 120.830 120.400 0.272 0.000 2.461 306 D HA 0.259 4.900 4.640 0.001 0.000 0.240 306 D C 1.194 177.613 176.300 0.198 0.000 1.094 306 D CA -0.107 54.038 54.000 0.242 0.000 0.868 306 D CB 1.229 42.126 40.800 0.162 0.000 1.062 306 D HN 0.257 nan 8.370 nan 0.000 0.530 307 G N 2.339 111.283 108.800 0.240 0.000 2.498 307 G HA2 -0.270 3.691 3.960 0.001 0.000 0.219 307 G HA3 -0.270 3.691 3.960 0.001 0.000 0.219 307 G C 0.829 175.411 174.900 -0.530 0.000 1.119 307 G CA 0.806 45.797 45.100 -0.183 0.000 0.766 307 G HN 0.488 nan 8.290 nan 0.000 0.552 308 Y N 1.094 121.169 120.300 -0.376 0.000 2.231 308 Y HA -0.028 4.523 4.550 0.001 0.000 0.294 308 Y C 3.283 178.614 175.900 -0.948 0.000 1.120 308 Y CA 1.547 59.128 58.100 -0.866 0.000 1.141 308 Y CB -0.698 37.007 38.460 -1.258 0.000 1.022 308 Y HN 0.230 nan 8.280 nan 0.000 0.523 309 T N -2.123 112.155 114.554 -0.460 0.000 2.904 309 T HA -0.149 4.202 4.350 0.001 0.000 0.267 309 T C 1.595 176.172 174.700 -0.206 0.000 1.059 309 T CA 1.463 63.409 62.100 -0.257 0.000 1.137 309 T CB -0.597 68.248 68.868 -0.040 0.000 0.879 309 T HN 0.185 nan 8.240 nan 0.000 0.467 310 N N 1.357 119.926 118.700 -0.217 0.000 2.515 310 N HA 0.063 4.804 4.740 0.001 0.000 0.185 310 N C 0.515 175.812 175.510 -0.355 0.000 1.109 310 N CA 0.103 53.022 53.050 -0.218 0.000 0.903 310 N CB -0.231 38.140 38.487 -0.193 0.000 0.969 310 N HN 0.413 nan 8.380 nan 0.000 0.450 311 S N -0.318 115.091 115.700 -0.484 0.000 2.576 311 S HA 0.087 4.558 4.470 0.001 0.000 0.276 311 S C 1.608 175.858 174.600 -0.583 0.000 1.339 311 S CA -0.624 57.195 58.200 -0.636 0.000 1.039 311 S CB 0.223 62.903 63.200 -0.867 0.000 0.902 311 S HN 0.327 nan 8.310 nan 0.000 0.516 312 I N 2.211 122.290 120.570 -0.818 0.000 2.928 312 I HA 0.044 4.215 4.170 0.001 0.000 0.266 312 I C 0.874 176.635 176.117 -0.594 0.000 1.234 312 I CA 0.845 61.609 61.300 -0.894 0.000 1.483 312 I CB -0.410 36.746 38.000 -1.407 0.000 1.097 312 I HN 0.709 nan 8.210 nan 0.000 0.455 313 Y N 2.687 122.737 120.300 -0.416 0.000 2.583 313 Y HA 0.089 4.639 4.550 0.000 0.000 0.293 313 Y C 1.384 177.237 175.900 -0.077 0.000 1.157 313 Y CA 0.162 58.052 58.100 -0.351 0.000 1.315 313 Y CB -0.205 37.905 38.460 -0.583 0.000 1.021 313 Y HN 0.294 nan 8.280 nan 0.000 0.536 314 T N -1.893 112.639 114.554 -0.036 0.000 2.912 314 T HA 0.591 4.941 4.350 0.001 0.000 0.288 314 T C -0.842 173.967 174.700 0.181 0.000 1.030 314 T CA -0.928 61.265 62.100 0.155 0.000 1.020 314 T CB 1.885 70.767 68.868 0.023 0.000 1.056 314 T HN -0.060 nan 8.240 nan 0.000 0.480 315 L N 2.766 124.138 121.223 0.248 0.000 2.270 315 L HA 0.449 4.790 4.340 0.001 0.000 0.286 315 L C 0.750 177.726 176.870 0.177 0.000 1.059 315 L CA -0.245 54.700 54.840 0.174 0.000 0.839 315 L CB 1.139 43.281 42.059 0.139 0.000 1.221 315 L HN 0.832 nan 8.230 nan 0.000 0.431 316 S N 4.554 120.337 115.700 0.138 0.000 2.499 316 S HA 0.522 4.992 4.470 0.001 0.000 0.275 316 S C -0.107 174.561 174.600 0.112 0.000 1.257 316 S CA -0.588 57.699 58.200 0.145 0.000 1.050 316 S CB 0.053 63.308 63.200 0.092 0.000 0.937 316 S HN 0.316 nan 8.310 nan 0.000 0.490 317 I N 4.263 124.902 120.570 0.116 0.000 2.404 317 I HA 0.399 4.569 4.170 0.001 0.000 0.293 317 I C 0.663 176.823 176.117 0.072 0.000 0.992 317 I CA -0.358 60.988 61.300 0.076 0.000 1.149 317 I CB 1.320 39.353 38.000 0.054 0.000 1.315 317 I HN 0.536 nan 8.210 nan 0.000 0.446 318 S N 3.332 119.073 115.700 0.068 0.000 2.745 318 S HA 0.697 5.168 4.470 0.001 0.000 0.292 318 S C 0.077 174.729 174.600 0.086 0.000 1.127 318 S CA -0.460 57.784 58.200 0.073 0.000 1.007 318 S CB 1.749 64.982 63.200 0.054 0.000 1.165 318 S HN 0.661 nan 8.310 nan 0.000 0.544 319 S N 0.049 115.813 115.700 0.107 0.000 2.648 319 S HA 0.882 5.353 4.470 0.001 0.000 0.305 319 S C -0.885 173.814 174.600 0.165 0.000 1.094 319 S CA -0.702 57.573 58.200 0.124 0.000 0.983 319 S CB 1.711 65.040 63.200 0.216 0.000 1.101 319 S HN 0.909 nan 8.310 nan 0.000 0.514 320 A N 1.376 124.288 122.820 0.153 0.000 2.486 320 A HA 0.753 5.073 4.320 0.001 0.000 0.300 320 A C -0.006 177.767 177.584 0.316 0.000 1.048 320 A CA -0.801 51.359 52.037 0.204 0.000 0.696 320 A CB 0.905 19.875 19.000 -0.050 0.000 1.278 320 A HN 0.809 nan 8.150 nan 0.000 0.405 321 T N -0.906 113.812 114.554 0.273 0.000 2.788 321 T HA 0.256 4.606 4.350 0.001 0.000 0.287 321 T C 1.133 176.000 174.700 0.280 0.000 1.007 321 T CA 0.457 62.691 62.100 0.223 0.000 1.005 321 T CB 0.798 69.697 68.868 0.051 0.000 1.012 321 T HN 0.784 nan 8.240 nan 0.000 0.530 322 Q N -0.018 119.717 119.800 -0.109 0.000 2.152 322 Q HA -0.124 4.216 4.340 0.001 0.000 0.206 322 Q C 1.148 177.107 176.000 -0.068 0.000 0.985 322 Q CA 1.701 57.199 55.803 -0.509 0.000 0.863 322 Q CB -0.354 27.599 28.738 -1.308 0.000 0.904 322 Q HN 0.872 nan 8.270 nan 0.000 0.422 323 F N -0.751 119.193 119.950 -0.010 0.000 2.692 323 F HA 0.276 4.803 4.527 0.001 0.000 0.303 323 F C 1.232 177.115 175.800 0.139 0.000 1.114 323 F CA -0.176 57.847 58.000 0.038 0.000 1.361 323 F CB 0.518 39.529 39.000 0.019 0.000 1.063 323 F HN 0.277 nan 8.300 nan 0.000 0.550 324 G N 1.288 110.319 108.800 0.385 0.000 2.198 324 G HA2 -0.270 3.690 3.960 0.001 0.000 0.257 324 G HA3 -0.270 3.690 3.960 0.001 0.000 0.257 324 G C -0.342 174.727 174.900 0.282 0.000 1.042 324 G CA -0.300 44.996 45.100 0.327 0.000 0.791 324 G HN 0.353 nan 8.290 nan 0.000 0.502 325 N N -1.048 117.820 118.700 0.280 0.000 2.483 325 N HA 0.543 5.283 4.740 0.001 0.000 0.285 325 N C 0.268 175.933 175.510 0.257 0.000 1.210 325 N CA -0.586 52.622 53.050 0.263 0.000 0.931 325 N CB 1.633 40.242 38.487 0.205 0.000 1.220 325 N HN 0.025 nan 8.380 nan 0.000 0.542 326 V N 2.634 122.655 119.914 0.178 0.000 2.470 326 V HA 0.156 4.277 4.120 0.001 0.000 0.276 326 V C -1.820 174.222 176.094 -0.087 0.000 1.040 326 V CA -0.985 61.320 62.300 0.008 0.000 1.008 326 V CB 0.277 32.022 31.823 -0.131 0.000 0.990 326 V HN 0.535 nan 8.190 nan 0.000 0.477 327 P HA -0.002 nan 4.420 nan 0.000 0.270 327 P C 0.926 177.906 177.300 -0.533 0.000 1.223 327 P CA -0.234 62.544 63.100 -0.536 0.000 0.785 327 P CB 0.362 31.329 31.700 -1.221 0.000 0.923 328 W N 2.149 123.244 121.300 -0.342 0.000 2.425 328 W HA -0.169 4.491 4.660 0.001 0.000 0.277 328 W C 0.794 177.222 176.519 -0.153 0.000 1.231 328 W CA 0.789 58.032 57.345 -0.171 0.000 1.248 328 W CB -1.474 27.966 29.460 -0.033 0.000 1.117 328 W HN 0.434 nan 8.180 nan 0.000 0.568 329 Y N 1.450 121.278 120.300 -0.785 0.000 2.482 329 Y HA 0.398 4.948 4.550 0.001 0.000 0.270 329 Y C 1.323 177.029 175.900 -0.323 0.000 1.152 329 Y CA -0.398 57.264 58.100 -0.731 0.000 1.292 329 Y CB -1.426 36.284 38.460 -1.250 0.000 1.070 329 Y HN -0.175 nan 8.280 nan 0.000 0.528 330 S N 1.875 117.264 115.700 -0.518 0.000 2.537 330 S HA 0.053 4.523 4.470 0.001 0.000 0.286 330 S C -0.238 174.288 174.600 -0.123 0.000 1.299 330 S CA -0.497 57.542 58.200 -0.267 0.000 1.067 330 S CB 0.172 63.162 63.200 -0.350 0.000 0.864 330 S HN 0.528 nan 8.310 nan 0.000 0.494 331 E N 2.508 122.677 120.200 -0.051 0.000 2.191 331 E HA 0.579 4.930 4.350 0.001 0.000 0.278 331 E C -0.433 176.145 176.600 -0.036 0.000 0.972 331 E CA -0.757 55.632 56.400 -0.018 0.000 0.804 331 E CB 1.651 31.368 29.700 0.029 0.000 1.110 331 E HN 0.695 nan 8.360 nan 0.000 0.394 332 A N 2.025 124.826 122.820 -0.033 0.000 2.303 332 A HA 0.725 5.046 4.320 0.001 0.000 0.317 332 A C -0.299 177.296 177.584 0.019 0.000 1.149 332 A CA -0.471 51.547 52.037 -0.032 0.000 0.822 332 A CB 0.285 19.252 19.000 -0.055 0.000 1.131 332 A HN 0.857 nan 8.150 nan 0.000 0.493 333 c N -0.482 118.158 118.600 0.067 0.000 3.197 333 c HA 0.613 5.184 4.570 0.001 0.000 0.343 333 c C 0.955 175.096 174.090 0.086 0.000 1.291 333 c CA 0.066 56.450 56.329 0.092 0.000 1.191 333 c CB 0.863 43.413 42.510 0.066 0.000 1.444 333 c HN 1.457 nan 8.230 nan 0.000 0.468 334 S N 0.250 115.962 115.700 0.020 0.000 2.593 334 S HA 0.020 4.491 4.470 0.001 0.000 0.217 334 S C 1.176 175.705 174.600 -0.119 0.000 0.966 334 S CA 1.015 59.037 58.200 -0.298 0.000 0.914 334 S CB -0.458 62.527 63.200 -0.358 0.000 0.776 334 S HN 1.801 nan 8.310 nan 0.000 0.523 335 S N 0.417 116.118 115.700 0.000 0.000 2.524 335 S HA 0.122 4.592 4.470 0.001 0.000 0.216 335 S C 0.702 175.344 174.600 0.070 0.000 0.987 335 S CA -0.220 58.007 58.200 0.045 0.000 0.909 335 S CB -0.750 62.459 63.200 0.016 0.000 0.781 335 S HN 0.376 nan 8.310 nan 0.000 0.521 336 T N 2.900 117.491 114.554 0.062 0.000 2.940 336 T HA 0.254 4.604 4.350 0.001 0.000 0.309 336 T C 0.745 175.497 174.700 0.086 0.000 1.056 336 T CA -0.072 62.067 62.100 0.066 0.000 1.137 336 T CB 1.011 69.905 68.868 0.043 0.000 0.976 336 T HN 0.151 nan 8.240 nan 0.000 0.547 337 L N 2.416 123.687 121.223 0.081 0.000 2.349 337 L HA 0.611 4.952 4.340 0.001 0.000 0.200 337 L C 0.806 177.735 176.870 0.098 0.000 1.064 337 L CA 1.037 55.930 54.840 0.087 0.000 0.821 337 L CB -0.278 41.792 42.059 0.017 0.000 1.027 337 L HN 0.809 nan 8.230 nan 0.000 0.476 338 A N -2.391 120.467 122.820 0.063 0.000 2.533 338 A HA 0.779 5.099 4.320 0.001 0.000 0.293 338 A C -0.926 176.690 177.584 0.053 0.000 1.228 338 A CA -0.267 51.805 52.037 0.058 0.000 0.689 338 A CB 0.884 19.890 19.000 0.010 0.000 1.303 338 A HN -0.006 nan 8.150 nan 0.000 0.444 339 T N 0.645 115.216 114.554 0.028 0.000 2.906 339 T HA 0.804 5.154 4.350 0.001 0.000 0.295 339 T C -0.455 174.195 174.700 -0.083 0.000 1.075 339 T CA 0.102 62.207 62.100 0.008 0.000 1.005 339 T CB 1.751 70.649 68.868 0.049 0.000 1.136 339 T HN 1.411 nan 8.240 nan 0.000 0.498 340 T N -0.915 113.582 114.554 -0.095 0.000 2.864 340 T HA 0.667 5.018 4.350 0.001 0.000 0.299 340 T C -1.008 173.604 174.700 -0.148 0.000 1.166 340 T CA -0.823 61.188 62.100 -0.148 0.000 1.007 340 T CB 0.695 69.512 68.868 -0.085 0.000 1.219 340 T HN 0.459 nan 8.240 nan 0.000 0.506 341 Y N 0.689 120.962 120.300 -0.047 0.000 2.426 341 Y HA 0.517 5.068 4.550 0.001 0.000 0.344 341 Y C 1.452 177.296 175.900 -0.094 0.000 1.256 341 Y CA 0.795 58.891 58.100 -0.007 0.000 1.451 341 Y CB 1.099 39.533 38.460 -0.044 0.000 1.342 341 Y HN 0.973 nan 8.280 nan 0.000 0.600 342 S N -0.370 115.495 115.700 0.275 0.000 2.815 342 S HA 0.378 4.849 4.470 0.001 0.000 0.296 342 S C -1.050 173.728 174.600 0.297 0.000 1.224 342 S CA -0.472 57.810 58.200 0.135 0.000 0.938 342 S CB -0.054 63.194 63.200 0.081 0.000 1.285 342 S HN 0.718 nan 8.310 nan 0.000 0.549 343 S N -0.042 115.783 115.700 0.210 0.000 2.600 343 S HA 0.742 5.213 4.470 0.001 0.000 0.265 343 S C 0.603 175.367 174.600 0.274 0.000 1.325 343 S CA 0.294 58.632 58.200 0.230 0.000 1.002 343 S CB 0.672 63.968 63.200 0.160 0.000 0.921 343 S HN 1.282 nan 8.310 nan 0.000 0.554 344 G N 1.092 110.009 108.800 0.194 0.000 3.265 344 G HA2 0.448 4.408 3.960 0.001 0.000 0.171 344 G HA3 0.448 4.408 3.960 0.001 0.000 0.171 344 G C -0.461 174.588 174.900 0.247 0.000 1.110 344 G CA -0.373 44.827 45.100 0.166 0.000 0.855 344 G HN 0.894 nan 8.290 nan 0.000 0.658 345 N N -0.235 118.545 118.700 0.133 0.000 2.322 345 N HA 0.131 4.872 4.740 0.001 0.000 0.270 345 N C 1.040 176.591 175.510 0.068 0.000 1.286 345 N CA -0.027 53.103 53.050 0.133 0.000 0.948 345 N CB 0.255 38.800 38.487 0.097 0.000 1.164 345 N HN 0.507 nan 8.380 nan 0.000 0.551 346 Q N -1.447 118.385 119.800 0.053 0.000 2.291 346 Q HA -0.065 4.276 4.340 0.001 0.000 0.206 346 Q C 0.222 176.235 176.000 0.022 0.000 0.976 346 Q CA 1.308 57.133 55.803 0.037 0.000 0.875 346 Q CB -0.382 28.373 28.738 0.028 0.000 0.927 346 Q HN 0.593 nan 8.270 nan 0.000 0.450 347 N N 0.128 118.840 118.700 0.020 0.000 2.280 347 N HA 0.053 4.793 4.740 0.001 0.000 0.192 347 N C -0.837 174.621 175.510 -0.087 0.000 1.109 347 N CA 0.211 53.282 53.050 0.035 0.000 0.855 347 N CB 0.649 39.222 38.487 0.143 0.000 0.974 347 N HN 0.202 nan 8.380 nan 0.000 0.482 348 E N 0.047 120.095 120.200 -0.253 0.000 2.207 348 E HA 0.311 4.662 4.350 0.001 0.000 0.270 348 E C -0.433 175.967 176.600 -0.333 0.000 0.927 348 E CA -0.882 55.187 56.400 -0.551 0.000 0.799 348 E CB 1.464 30.704 29.700 -0.766 0.000 1.172 348 E HN -0.151 nan 8.360 nan 0.000 0.404 349 K N 1.456 121.572 120.400 -0.474 0.000 2.230 349 K HA 0.084 4.405 4.320 0.001 0.000 0.253 349 K C 0.012 176.663 176.600 0.086 0.000 1.008 349 K CA 0.411 56.551 56.287 -0.246 0.000 0.910 349 K CB 0.474 32.674 32.500 -0.500 0.000 0.994 349 K HN 0.392 nan 8.250 nan 0.000 0.495 350 Q N 0.337 120.343 119.800 0.343 0.000 2.962 350 Q HA 0.465 4.805 4.340 0.001 0.000 0.282 350 Q C -0.446 175.834 176.000 0.466 0.000 1.058 350 Q CA -1.225 54.806 55.803 0.380 0.000 0.854 350 Q CB 0.959 29.825 28.738 0.213 0.000 1.441 350 Q HN 0.275 nan 8.270 nan 0.000 0.497 351 I N 1.508 122.203 120.570 0.208 0.000 2.428 351 I HA 0.200 4.370 4.170 0.001 0.000 0.289 351 I C -0.120 176.129 176.117 0.220 0.000 1.019 351 I CA -0.413 60.937 61.300 0.084 0.000 1.351 351 I CB 0.906 38.804 38.000 -0.170 0.000 1.412 351 I HN 0.281 nan 8.210 nan 0.000 0.513 352 V N 5.796 125.894 119.914 0.307 0.000 2.407 352 V HA 0.634 4.755 4.120 0.001 0.000 0.278 352 V C 0.337 176.541 176.094 0.183 0.000 1.037 352 V CA -0.031 62.408 62.300 0.232 0.000 0.900 352 V CB 1.459 33.413 31.823 0.218 0.000 0.983 352 V HN 0.990 nan 8.190 nan 0.000 0.459 353 T N 2.251 116.866 114.554 0.103 0.000 2.693 353 T HA 0.387 4.737 4.350 0.001 0.000 0.304 353 T C -0.440 174.241 174.700 -0.031 0.000 1.471 353 T CA 0.038 62.159 62.100 0.035 0.000 0.993 353 T CB 1.755 70.623 68.868 -0.000 0.000 1.554 353 T HN 0.830 nan 8.240 nan 0.000 0.496 354 T N 1.468 115.943 114.554 -0.132 0.000 2.851 354 T HA 0.543 4.893 4.350 0.001 0.000 0.298 354 T C -0.441 174.158 174.700 -0.167 0.000 0.977 354 T CA -0.439 61.495 62.100 -0.278 0.000 1.126 354 T CB 0.774 69.207 68.868 -0.725 0.000 0.916 354 T HN 0.519 nan 8.240 nan 0.000 0.529 355 D N 1.339 121.756 120.400 0.028 0.000 2.374 355 D HA 0.415 5.055 4.640 0.001 0.000 0.239 355 D C 0.230 176.620 176.300 0.149 0.000 0.991 355 D CA -1.011 53.014 54.000 0.042 0.000 0.960 355 D CB 1.504 42.331 40.800 0.045 0.000 1.284 355 D HN 0.565 nan 8.370 nan 0.000 0.512 356 L N 1.456 122.726 121.223 0.079 0.000 2.492 356 L HA 0.092 4.433 4.340 0.001 0.000 0.280 356 L C 0.841 177.804 176.870 0.155 0.000 1.240 356 L CA 0.301 55.206 54.840 0.109 0.000 0.831 356 L CB 0.150 42.226 42.059 0.028 0.000 1.100 356 L HN 0.667 nan 8.230 nan 0.000 0.505 357 R N 1.571 122.203 120.500 0.220 0.000 3.531 357 R HA -0.208 4.133 4.340 0.001 0.000 0.280 357 R C 0.137 176.436 176.300 -0.002 0.000 1.130 357 R CA 0.671 56.850 56.100 0.133 0.000 0.757 357 R CB -1.754 28.615 30.300 0.115 0.000 1.218 357 R HN 0.774 nan 8.270 nan 0.000 0.454 358 Q N -2.409 117.332 119.800 -0.099 0.000 2.480 358 Q HA -0.262 4.079 4.340 0.001 0.000 0.265 358 Q C -0.319 175.520 176.000 -0.268 0.000 1.072 358 Q CA 1.702 57.213 55.803 -0.487 0.000 1.018 358 Q CB -0.811 27.719 28.738 -0.347 0.000 1.433 358 Q HN 0.561 nan 8.270 nan 0.000 0.513 359 K N -0.114 120.304 120.400 0.030 0.000 2.419 359 K HA 0.644 4.964 4.320 0.001 0.000 0.246 359 K C -0.296 176.436 176.600 0.221 0.000 1.037 359 K CA -0.483 55.862 56.287 0.096 0.000 0.982 359 K CB 1.593 34.137 32.500 0.073 0.000 1.283 359 K HN 0.207 nan 8.250 nan 0.000 0.500 360 c N 0.570 119.251 118.600 0.135 0.000 2.441 360 c HA 0.542 5.112 4.570 0.001 0.000 0.318 360 c C -0.231 173.910 174.090 0.085 0.000 1.222 360 c CA -0.139 56.262 56.329 0.120 0.000 1.474 360 c CB 1.023 43.599 42.510 0.110 0.000 2.125 360 c HN 0.765 nan 8.230 nan 0.000 0.479 361 T N 2.680 117.276 114.554 0.070 0.000 2.912 361 T HA 0.500 4.850 4.350 0.001 0.000 0.288 361 T C 0.190 174.947 174.700 0.096 0.000 1.030 361 T CA -0.201 61.941 62.100 0.070 0.000 1.020 361 T CB 1.465 70.359 68.868 0.044 0.000 1.056 361 T HN 0.832 nan 8.240 nan 0.000 0.480 362 E N 1.224 121.490 120.200 0.110 0.000 2.660 362 E HA 0.167 4.518 4.350 0.001 0.000 0.216 362 E C 0.109 176.805 176.600 0.159 0.000 0.986 362 E CA -0.165 56.322 56.400 0.145 0.000 1.037 362 E CB 0.721 30.500 29.700 0.133 0.000 1.041 362 E HN 0.583 nan 8.360 nan 0.000 0.480 363 S N -0.512 115.273 115.700 0.141 0.000 2.668 363 S HA 0.157 4.627 4.470 0.001 0.000 0.244 363 S C -0.329 174.374 174.600 0.172 0.000 1.140 363 S CA -0.635 57.652 58.200 0.145 0.000 1.134 363 S CB -0.318 62.951 63.200 0.115 0.000 0.954 363 S HN 0.263 nan 8.310 nan 0.000 0.490 364 H N 2.120 121.213 119.070 0.039 0.000 2.582 364 H HA 0.466 5.022 4.556 0.001 0.000 0.345 364 H C 0.327 175.643 175.328 -0.021 0.000 1.104 364 H CA 0.463 56.503 56.048 -0.014 0.000 1.390 364 H CB 0.900 30.631 29.762 -0.052 0.000 1.461 364 H HN 0.591 nan 8.280 nan 0.000 0.551 365 T N 1.395 115.863 114.554 -0.143 0.000 2.831 365 T HA 0.619 4.969 4.350 0.001 0.000 0.287 365 T C 0.352 174.750 174.700 -0.504 0.000 1.070 365 T CA -0.150 61.798 62.100 -0.252 0.000 1.010 365 T CB 1.538 70.351 68.868 -0.092 0.000 1.264 365 T HN 1.006 nan 8.240 nan 0.000 0.532 366 G N 0.375 108.727 108.800 -0.746 0.000 2.855 366 G HA2 -0.128 3.833 3.960 0.001 0.000 0.352 366 G HA3 -0.128 3.833 3.960 0.001 0.000 0.352 366 G C 0.753 175.305 174.900 -0.580 0.000 1.415 366 G CA 0.645 45.067 45.100 -1.130 0.000 0.871 366 G HN 2.022 nan 8.290 nan 0.000 0.543 367 T N -2.439 111.900 114.554 -0.359 0.000 3.051 367 T HA 0.074 4.425 4.350 0.001 0.000 0.269 367 T C 2.311 176.939 174.700 -0.121 0.000 1.127 367 T CA 2.037 64.085 62.100 -0.087 0.000 1.107 367 T CB -0.096 68.791 68.868 0.031 0.000 0.898 367 T HN 0.835 nan 8.240 nan 0.000 0.517 368 S N 1.173 116.769 115.700 -0.173 0.000 2.447 368 S HA 0.220 4.691 4.470 0.001 0.000 0.233 368 S C 2.349 176.810 174.600 -0.231 0.000 1.006 368 S CA 0.692 58.820 58.200 -0.121 0.000 0.957 368 S CB -0.419 62.767 63.200 -0.022 0.000 0.773 368 S HN 0.796 nan 8.310 nan 0.000 0.507 369 A N 0.477 123.051 122.820 -0.409 0.000 2.030 369 A HA 0.156 4.477 4.320 0.001 0.000 0.215 369 A C 2.200 179.659 177.584 -0.209 0.000 1.164 369 A CA 0.830 52.626 52.037 -0.401 0.000 0.697 369 A CB -0.380 18.272 19.000 -0.580 0.000 0.827 369 A HN 0.394 nan 8.150 nan 0.000 0.457 370 S N 0.140 115.745 115.700 -0.158 0.000 2.371 370 S HA 0.037 4.508 4.470 0.001 0.000 0.224 370 S C 2.333 176.898 174.600 -0.058 0.000 1.029 370 S CA 1.007 59.152 58.200 -0.092 0.000 0.978 370 S CB -0.339 62.840 63.200 -0.036 0.000 0.833 370 S HN 0.742 nan 8.310 nan 0.000 0.466 371 A N 2.715 125.506 122.820 -0.049 0.000 1.865 371 A HA -0.047 4.273 4.320 0.001 0.000 0.217 371 A C 0.123 177.692 177.584 -0.026 0.000 1.191 371 A CA 1.569 53.589 52.037 -0.029 0.000 0.623 371 A CB -1.768 17.199 19.000 -0.055 0.000 0.826 371 A HN 0.457 nan 8.150 nan 0.000 0.444 372 P HA -0.121 nan 4.420 nan 0.000 0.218 372 P C 1.587 178.883 177.300 -0.006 0.000 1.149 372 P CA 0.897 63.990 63.100 -0.012 0.000 0.817 372 P CB -0.193 31.505 31.700 -0.003 0.000 0.785 373 L N -0.531 120.676 121.223 -0.026 0.000 2.083 373 L HA -0.134 4.207 4.340 0.001 0.000 0.209 373 L C 2.769 179.632 176.870 -0.011 0.000 1.083 373 L CA 1.565 56.395 54.840 -0.017 0.000 0.752 373 L CB -1.075 40.943 42.059 -0.068 0.000 0.899 373 L HN -0.038 nan 8.230 nan 0.000 0.433 374 A N -0.090 122.719 122.820 -0.019 0.000 1.930 374 A HA -0.118 4.202 4.320 0.001 0.000 0.217 374 A C 2.531 180.110 177.584 -0.009 0.000 1.175 374 A CA 1.503 53.530 52.037 -0.016 0.000 0.627 374 A CB -0.600 18.396 19.000 -0.006 0.000 0.815 374 A HN 0.389 nan 8.150 nan 0.000 0.443 375 A N -0.346 122.475 122.820 0.002 0.000 1.902 375 A HA 0.096 4.416 4.320 0.001 0.000 0.217 375 A C 2.387 179.969 177.584 -0.003 0.000 1.181 375 A CA 1.971 54.011 52.037 0.005 0.000 0.623 375 A CB -1.352 17.654 19.000 0.009 0.000 0.818 375 A HN 0.698 nan 8.150 nan 0.000 0.443 376 G N -0.026 108.778 108.800 0.007 0.000 2.421 376 G HA2 -0.183 3.777 3.960 0.001 0.000 0.216 376 G HA3 -0.183 3.777 3.960 0.001 0.000 0.216 376 G C 1.516 176.416 174.900 0.001 0.000 1.171 376 G CA 1.080 46.192 45.100 0.020 0.000 0.775 376 G HN 0.474 nan 8.290 nan 0.000 0.543 377 I N 0.533 121.094 120.570 -0.015 0.000 2.361 377 I HA -0.114 4.057 4.170 0.001 0.000 0.251 377 I C 2.522 178.597 176.117 -0.070 0.000 1.133 377 I CA 0.801 62.072 61.300 -0.048 0.000 1.413 377 I CB -0.127 37.837 38.000 -0.061 0.000 1.073 377 I HN 0.165 nan 8.210 nan 0.000 0.424 378 I N 0.482 121.017 120.570 -0.058 0.000 2.546 378 I HA -0.182 3.989 4.170 0.001 0.000 0.255 378 I C 2.705 178.773 176.117 -0.081 0.000 1.163 378 I CA 0.800 62.057 61.300 -0.072 0.000 1.457 378 I CB -0.311 37.664 38.000 -0.041 0.000 1.092 378 I HN 0.151 nan 8.210 nan 0.000 0.434 379 A N 1.204 123.986 122.820 -0.062 0.000 1.898 379 A HA -0.108 4.213 4.320 0.001 0.000 0.216 379 A C 2.260 179.791 177.584 -0.089 0.000 1.181 379 A CA 1.128 53.121 52.037 -0.072 0.000 0.620 379 A CB -0.669 18.304 19.000 -0.045 0.000 0.819 379 A HN 0.346 nan 8.150 nan 0.000 0.442 380 L N -0.589 120.591 121.223 -0.071 0.000 2.046 380 L HA -0.167 4.173 4.340 0.001 0.000 0.208 380 L C 2.723 179.468 176.870 -0.209 0.000 1.077 380 L CA 1.798 56.595 54.840 -0.073 0.000 0.747 380 L CB -1.255 40.785 42.059 -0.031 0.000 0.896 380 L HN 0.330 nan 8.230 nan 0.000 0.432 381 T N 0.354 114.783 114.554 -0.209 0.000 2.788 381 T HA -0.155 4.196 4.350 0.001 0.000 0.268 381 T C 2.022 176.567 174.700 -0.260 0.000 1.044 381 T CA 1.106 63.046 62.100 -0.267 0.000 1.139 381 T CB -0.186 68.555 68.868 -0.212 0.000 0.867 381 T HN 0.199 nan 8.240 nan 0.000 0.454 382 L N 0.571 121.675 121.223 -0.198 0.000 2.093 382 L HA -0.079 4.261 4.340 0.001 0.000 0.208 382 L C 2.833 179.591 176.870 -0.186 0.000 1.085 382 L CA 1.390 56.118 54.840 -0.187 0.000 0.755 382 L CB -0.399 41.541 42.059 -0.199 0.000 0.904 382 L HN 0.380 nan 8.230 nan 0.000 0.435 383 E N 0.267 120.368 120.200 -0.165 0.000 2.077 383 E HA -0.253 4.097 4.350 0.001 0.000 0.193 383 E C 2.099 178.642 176.600 -0.095 0.000 0.989 383 E CA 1.218 57.581 56.400 -0.062 0.000 0.800 383 E CB 0.009 29.762 29.700 0.087 0.000 0.746 383 E HN 0.471 nan 8.360 nan 0.000 0.452 384 A N 0.654 123.207 122.820 -0.445 0.000 2.070 384 A HA -0.120 4.201 4.320 0.001 0.000 0.220 384 A C 1.045 178.493 177.584 -0.227 0.000 1.159 384 A CA 1.185 52.825 52.037 -0.662 0.000 0.656 384 A CB -0.022 18.285 19.000 -1.155 0.000 0.800 384 A HN 0.298 nan 8.150 nan 0.000 0.453 385 N N -0.868 117.732 118.700 -0.168 0.000 2.969 385 N HA 0.088 4.829 4.740 0.001 0.000 0.230 385 N C -0.127 175.341 175.510 -0.069 0.000 1.397 385 N CA -0.375 52.629 53.050 -0.076 0.000 0.762 385 N CB 0.565 39.019 38.487 -0.055 0.000 1.495 385 N HN -0.044 nan 8.380 nan 0.000 0.583 386 K N 1.031 121.399 120.400 -0.053 0.000 2.519 386 K HA 0.049 4.370 4.320 0.001 0.000 0.196 386 K C 0.269 176.858 176.600 -0.018 0.000 1.041 386 K CA 0.651 56.902 56.287 -0.060 0.000 0.954 386 K CB 0.001 32.473 32.500 -0.048 0.000 0.774 386 K HN 0.580 nan 8.250 nan 0.000 0.480 387 N N 0.288 118.992 118.700 0.008 0.000 2.270 387 N HA 0.092 4.832 4.740 0.001 0.000 0.198 387 N C -0.310 175.235 175.510 0.058 0.000 1.117 387 N CA -0.276 52.797 53.050 0.039 0.000 0.845 387 N CB 0.299 38.814 38.487 0.047 0.000 0.980 387 N HN -0.027 nan 8.380 nan 0.000 0.486 388 L N 1.652 122.895 121.223 0.033 0.000 2.453 388 L HA 0.073 4.413 4.340 0.001 0.000 0.272 388 L C 1.245 178.147 176.870 0.054 0.000 1.182 388 L CA -0.137 54.722 54.840 0.032 0.000 0.858 388 L CB 0.291 42.313 42.059 -0.061 0.000 1.120 388 L HN 0.174 nan 8.230 nan 0.000 0.474 389 T N -1.130 113.468 114.554 0.073 0.000 2.847 389 T HA 0.080 4.430 4.350 0.001 0.000 0.279 389 T C 1.261 176.022 174.700 0.101 0.000 0.984 389 T CA -0.691 61.469 62.100 0.101 0.000 0.988 389 T CB 0.886 69.790 68.868 0.059 0.000 1.040 389 T HN 0.760 nan 8.240 nan 0.000 0.528 390 W N 0.888 122.232 121.300 0.073 0.000 2.364 390 W HA -0.083 4.578 4.660 0.001 0.000 0.281 390 W C 1.566 178.164 176.519 0.133 0.000 1.219 390 W CA 0.572 57.967 57.345 0.082 0.000 1.220 390 W CB -0.933 28.583 29.460 0.093 0.000 1.127 390 W HN 0.646 nan 8.180 nan 0.000 0.556 391 R N 0.563 120.683 120.500 -0.633 0.000 2.080 391 R HA -0.086 4.255 4.340 0.001 0.000 0.222 391 R C 1.890 178.196 176.300 0.011 0.000 1.107 391 R CA 1.406 57.212 56.100 -0.490 0.000 0.980 391 R CB -0.465 29.459 30.300 -0.625 0.000 0.879 391 R HN -0.013 nan 8.270 nan 0.000 0.439 392 D N 0.929 121.341 120.400 0.020 0.000 2.116 392 D HA -0.221 4.419 4.640 0.001 0.000 0.193 392 D C 1.745 177.923 176.300 -0.204 0.000 0.998 392 D CA 1.419 55.420 54.000 0.002 0.000 0.836 392 D CB -0.095 40.698 40.800 -0.011 0.000 0.951 392 D HN 0.020 nan 8.370 nan 0.000 0.449 393 M N 0.795 120.311 119.600 -0.140 0.000 2.108 393 M HA -0.179 4.301 4.480 0.001 0.000 0.261 393 M C 1.946 178.138 176.300 -0.180 0.000 1.066 393 M CA 1.557 56.759 55.300 -0.163 0.000 1.107 393 M CB -0.241 32.329 32.600 -0.051 0.000 1.356 393 M HN -0.028 nan 8.290 nan 0.000 0.406 394 Q N -1.541 118.186 119.800 -0.123 0.000 2.119 394 Q HA -0.185 4.155 4.340 0.001 0.000 0.201 394 Q C 2.138 177.844 176.000 -0.491 0.000 0.972 394 Q CA 1.316 56.964 55.803 -0.258 0.000 0.847 394 Q CB -0.346 28.312 28.738 -0.133 0.000 0.903 394 Q HN 0.655 nan 8.270 nan 0.000 0.433 395 H N 0.561 119.473 119.070 -0.263 0.000 2.353 395 H HA -0.098 4.458 4.556 0.000 0.000 0.300 395 H C 2.224 177.272 175.328 -0.468 0.000 1.090 395 H CA 1.201 57.101 56.048 -0.246 0.000 1.327 395 H CB -0.018 29.750 29.762 0.010 0.000 1.383 395 H HN 0.235 nan 8.280 nan 0.000 0.508 396 L N 0.007 120.956 121.223 -0.458 0.000 2.046 396 L HA -0.155 4.185 4.340 0.001 0.000 0.208 396 L C 2.728 179.391 176.870 -0.346 0.000 1.077 396 L CA 0.708 55.264 54.840 -0.474 0.000 0.747 396 L CB -0.487 41.272 42.059 -0.500 0.000 0.896 396 L HN 0.062 nan 8.230 nan 0.000 0.432 397 V N -0.563 119.145 119.914 -0.342 0.000 2.343 397 V HA -0.236 3.885 4.120 0.001 0.000 0.247 397 V C 2.458 178.333 176.094 -0.366 0.000 1.051 397 V CA 1.446 63.571 62.300 -0.293 0.000 1.036 397 V CB -0.198 31.474 31.823 -0.252 0.000 0.654 397 V HN 0.195 nan 8.190 nan 0.000 0.451 398 V N -0.464 119.091 119.914 -0.600 0.000 2.343 398 V HA -0.305 3.815 4.120 0.001 0.000 0.247 398 V C 2.413 178.161 176.094 -0.577 0.000 1.051 398 V CA 2.060 63.821 62.300 -0.899 0.000 1.036 398 V CB -0.669 30.301 31.823 -1.422 0.000 0.654 398 V HN 0.585 nan 8.190 nan 0.000 0.451 399 Q N -0.104 119.478 119.800 -0.364 0.000 2.123 399 Q HA -0.134 4.207 4.340 0.001 0.000 0.199 399 Q C 2.342 178.263 176.000 -0.131 0.000 0.966 399 Q CA 1.936 57.630 55.803 -0.183 0.000 0.845 399 Q CB -0.199 28.492 28.738 -0.079 0.000 0.907 399 Q HN 0.848 nan 8.270 nan 0.000 0.439 400 T N -2.742 111.721 114.554 -0.151 0.000 3.051 400 T HA 0.116 4.467 4.350 0.001 0.000 0.255 400 T C 1.063 175.711 174.700 -0.088 0.000 1.085 400 T CA -0.204 61.831 62.100 -0.108 0.000 1.109 400 T CB 0.175 68.971 68.868 -0.120 0.000 0.921 400 T HN -0.125 nan 8.240 nan 0.000 0.488 401 S N 2.690 118.335 115.700 -0.093 0.000 2.549 401 S HA 0.290 4.761 4.470 0.001 0.000 0.286 401 S C 0.043 174.638 174.600 -0.009 0.000 1.314 401 S CA -0.418 57.759 58.200 -0.038 0.000 1.062 401 S CB 0.194 63.398 63.200 0.006 0.000 0.865 401 S HN 0.757 nan 8.310 nan 0.000 0.498 402 K N 2.319 122.705 120.400 -0.023 0.000 2.375 402 K HA 0.504 4.824 4.320 0.001 0.000 0.249 402 K C -2.933 173.616 176.600 -0.085 0.000 0.942 402 K CA -2.298 53.957 56.287 -0.053 0.000 0.806 402 K CB 1.331 33.799 32.500 -0.053 0.000 1.227 402 K HN 0.065 nan 8.250 nan 0.000 0.430 403 P HA -0.231 nan 4.420 nan 0.000 0.217 403 P C 0.116 177.330 177.300 -0.142 0.000 1.148 403 P CA 2.193 65.063 63.100 -0.384 0.000 0.828 403 P CB -0.031 31.158 31.700 -0.851 0.000 0.783 404 A N -1.319 121.468 122.820 -0.055 0.000 2.748 404 A HA -0.296 4.024 4.320 0.001 0.000 0.297 404 A C 0.524 178.230 177.584 0.204 0.000 1.508 404 A CA 1.507 53.582 52.037 0.062 0.000 0.799 404 A CB -2.908 16.081 19.000 -0.018 0.000 1.011 404 A HN 0.619 nan 8.150 nan 0.000 0.500 405 H N -4.923 114.102 119.070 -0.076 0.000 3.211 405 H HA -0.197 4.359 4.556 0.001 0.000 0.240 405 H C 0.126 175.478 175.328 0.040 0.000 1.148 405 H CA 0.421 56.460 56.048 -0.016 0.000 1.160 405 H CB -1.379 28.401 29.762 0.030 0.000 1.232 405 H HN 0.527 nan 8.280 nan 0.000 0.321 406 L N 2.635 123.928 121.223 0.118 0.000 2.455 406 L HA 0.084 4.425 4.340 0.001 0.000 0.272 406 L C 0.812 177.896 176.870 0.357 0.000 1.174 406 L CA 0.496 55.382 54.840 0.077 0.000 0.869 406 L CB 0.373 42.233 42.059 -0.332 0.000 1.130 406 L HN 0.175 nan 8.230 nan 0.000 0.474 407 N N 3.164 122.084 118.700 0.367 0.000 2.455 407 N HA 0.676 5.416 4.740 0.001 0.000 0.280 407 N C -0.590 175.209 175.510 0.482 0.000 1.055 407 N CA -0.159 53.136 53.050 0.407 0.000 0.961 407 N CB 1.737 40.389 38.487 0.275 0.000 1.121 407 N HN 0.681 nan 8.380 nan 0.000 0.476 408 A N 1.049 124.096 122.820 0.378 0.000 2.605 408 A HA 0.238 4.558 4.320 0.001 0.000 0.294 408 A C -0.222 177.412 177.584 0.083 0.000 1.062 408 A CA -0.707 51.385 52.037 0.092 0.000 0.682 408 A CB 0.961 19.807 19.000 -0.256 0.000 1.278 408 A HN 0.635 nan 8.150 nan 0.000 0.410 409 D N 0.240 120.643 120.400 0.005 0.000 2.328 409 D HA -0.011 4.629 4.640 0.001 0.000 0.221 409 D C -0.035 176.277 176.300 0.021 0.000 1.072 409 D CA 0.822 54.846 54.000 0.039 0.000 0.850 409 D CB 0.324 41.138 40.800 0.023 0.000 0.922 409 D HN 0.526 nan 8.370 nan 0.000 0.516 410 D N -0.772 119.599 120.400 -0.048 0.000 2.599 410 D HA -0.019 4.622 4.640 0.001 0.000 0.249 410 D C -0.527 175.777 176.300 0.006 0.000 1.313 410 D CA -0.723 53.268 54.000 -0.015 0.000 0.815 410 D CB -1.275 39.515 40.800 -0.017 0.000 1.077 410 D HN 0.073 nan 8.370 nan 0.000 0.492 411 W N 1.634 122.971 121.300 0.060 0.000 2.397 411 W HA 0.422 5.082 4.660 0.001 0.000 0.327 411 W C 0.509 177.039 176.519 0.019 0.000 1.421 411 W CA -0.196 57.169 57.345 0.033 0.000 1.288 411 W CB 0.857 30.337 29.460 0.034 0.000 1.312 411 W HN 0.101 nan 8.180 nan 0.000 0.559 412 A N 2.841 125.828 122.820 0.279 0.000 2.435 412 A HA 0.712 5.033 4.320 0.001 0.000 0.304 412 A C -0.657 177.003 177.584 0.126 0.000 1.064 412 A CA -0.751 51.385 52.037 0.164 0.000 0.727 412 A CB 1.204 20.281 19.000 0.128 0.000 1.284 412 A HN 0.307 nan 8.150 nan 0.000 0.415 413 T N 2.888 117.496 114.554 0.089 0.000 2.771 413 T HA 0.394 4.744 4.350 0.001 0.000 0.291 413 T C 0.627 175.364 174.700 0.062 0.000 0.954 413 T CA -0.399 61.741 62.100 0.067 0.000 1.045 413 T CB 0.375 69.271 68.868 0.047 0.000 0.917 413 T HN 0.863 nan 8.240 nan 0.000 0.484 414 N N 2.010 120.753 118.700 0.071 0.000 2.374 414 N HA 0.285 5.025 4.740 0.001 0.000 0.284 414 N C 1.696 177.245 175.510 0.065 0.000 1.280 414 N CA -0.307 52.790 53.050 0.078 0.000 0.963 414 N CB -0.391 38.168 38.487 0.119 0.000 1.141 414 N HN 0.483 nan 8.380 nan 0.000 0.565 415 G N -1.752 107.083 108.800 0.058 0.000 2.559 415 G HA2 -0.088 3.872 3.960 0.001 0.000 0.216 415 G HA3 -0.088 3.872 3.960 0.001 0.000 0.216 415 G C 0.786 175.714 174.900 0.047 0.000 1.126 415 G CA 1.042 46.163 45.100 0.036 0.000 0.778 415 G HN 0.659 nan 8.290 nan 0.000 0.543 416 V N -3.573 116.386 119.914 0.075 0.000 3.214 416 V HA 0.641 4.761 4.120 0.001 0.000 0.330 416 V C 1.408 177.543 176.094 0.068 0.000 1.403 416 V CA 0.300 62.644 62.300 0.073 0.000 1.143 416 V CB -0.323 31.559 31.823 0.098 0.000 1.098 416 V HN 0.855 nan 8.190 nan 0.000 0.463 417 G N 0.901 109.739 108.800 0.062 0.000 2.159 417 G HA2 -0.262 3.698 3.960 0.001 0.000 0.256 417 G HA3 -0.262 3.698 3.960 0.001 0.000 0.256 417 G C 0.346 175.282 174.900 0.060 0.000 0.977 417 G CA 0.378 45.508 45.100 0.050 0.000 0.652 417 G HN 0.632 nan 8.290 nan 0.000 0.531 418 R N 0.404 120.965 120.500 0.102 0.000 2.404 418 R HA 0.460 4.800 4.340 0.001 0.000 0.291 418 R C 0.219 176.590 176.300 0.118 0.000 1.025 418 R CA -0.506 55.674 56.100 0.134 0.000 0.991 418 R CB 0.798 31.243 30.300 0.242 0.000 1.053 418 R HN 0.137 nan 8.270 nan 0.000 0.479 419 K N 1.745 122.196 120.400 0.084 0.000 2.234 419 K HA 0.291 4.612 4.320 0.001 0.000 0.282 419 K C -0.788 175.920 176.600 0.180 0.000 1.039 419 K CA -0.296 56.048 56.287 0.095 0.000 0.928 419 K CB 1.724 34.175 32.500 -0.082 0.000 1.039 419 K HN 0.165 nan 8.250 nan 0.000 0.470 420 V N 1.624 121.609 119.914 0.117 0.000 2.876 420 V HA 0.502 4.622 4.120 0.001 0.000 0.312 420 V C -1.274 174.629 176.094 -0.318 0.000 1.085 420 V CA -0.386 61.733 62.300 -0.302 0.000 0.945 420 V CB 2.255 33.487 31.823 -0.985 0.000 1.017 420 V HN 0.849 nan 8.190 nan 0.000 0.428 421 S N 2.864 118.178 115.700 -0.643 0.000 2.536 421 S HA 0.520 4.990 4.470 0.001 0.000 0.287 421 S C 0.117 174.455 174.600 -0.436 0.000 1.101 421 S CA -0.421 57.357 58.200 -0.704 0.000 0.950 421 S CB 1.542 63.877 63.200 -1.442 0.000 1.056 421 S HN 0.874 nan 8.310 nan 0.000 0.481 422 H N 2.156 121.112 119.070 -0.190 0.000 2.546 422 H HA 0.169 4.726 4.556 0.001 0.000 0.277 422 H C 1.718 176.911 175.328 -0.225 0.000 1.004 422 H CA 1.460 57.452 56.048 -0.092 0.000 1.231 422 H CB 0.333 30.041 29.762 -0.088 0.000 1.382 422 H HN 0.430 nan 8.280 nan 0.000 0.580 423 S N -1.099 114.386 115.700 -0.357 0.000 2.483 423 S HA 0.062 4.533 4.470 0.001 0.000 0.221 423 S C 0.572 174.821 174.600 -0.584 0.000 1.030 423 S CA 0.295 58.151 58.200 -0.573 0.000 0.925 423 S CB 0.318 62.932 63.200 -0.976 0.000 0.795 423 S HN 0.509 nan 8.310 nan 0.000 0.511 424 Y N 0.533 120.680 120.300 -0.255 0.000 2.563 424 Y HA 0.380 4.930 4.550 0.001 0.000 0.250 424 Y C 1.602 177.421 175.900 -0.136 0.000 1.126 424 Y CA -0.263 57.732 58.100 -0.174 0.000 1.231 424 Y CB 0.403 38.774 38.460 -0.148 0.000 1.288 424 Y HN 0.300 nan 8.280 nan 0.000 0.537 425 G N 1.168 109.917 108.800 -0.085 0.000 2.583 425 G HA2 -0.408 3.553 3.960 0.001 0.000 0.292 425 G HA3 -0.408 3.553 3.960 0.001 0.000 0.292 425 G C 0.234 174.997 174.900 -0.228 0.000 1.203 425 G CA 0.840 45.856 45.100 -0.141 0.000 0.987 425 G HN 0.346 nan 8.290 nan 0.000 0.554 426 Y N 2.879 123.175 120.300 -0.006 0.000 2.529 426 Y HA 0.414 4.964 4.550 0.000 0.000 0.290 426 Y C 1.876 177.868 175.900 0.152 0.000 1.177 426 Y CA 1.808 59.934 58.100 0.044 0.000 1.305 426 Y CB 0.087 38.500 38.460 -0.078 0.000 1.047 426 Y HN 1.606 nan 8.280 nan 0.000 0.522 427 G N -0.169 108.802 108.800 0.286 0.000 2.331 427 G HA2 -0.106 3.855 3.960 0.001 0.000 0.479 427 G HA3 -0.106 3.855 3.960 0.001 0.000 0.479 427 G C -1.683 173.244 174.900 0.045 0.000 1.262 427 G CA -1.025 44.214 45.100 0.231 0.000 1.029 427 G HN -0.009 nan 8.290 nan 0.000 0.487 428 L N 0.687 121.875 121.223 -0.059 0.000 2.416 428 L HA 0.609 4.949 4.340 0.001 0.000 0.272 428 L C 0.958 177.774 176.870 -0.090 0.000 1.161 428 L CA -0.344 54.412 54.840 -0.140 0.000 0.845 428 L CB 0.524 42.450 42.059 -0.222 0.000 1.119 428 L HN 0.551 nan 8.230 nan 0.000 0.464 429 L N 3.897 125.064 121.223 -0.094 0.000 2.461 429 L HA 0.140 4.481 4.340 0.001 0.000 0.272 429 L C -0.128 176.695 176.870 -0.078 0.000 1.197 429 L CA 0.180 54.972 54.840 -0.080 0.000 0.836 429 L CB 0.383 42.396 42.059 -0.076 0.000 1.105 429 L HN 0.631 nan 8.230 nan 0.000 0.477 430 D N 1.673 122.024 120.400 -0.082 0.000 2.420 430 D HA 0.325 4.966 4.640 0.001 0.000 0.255 430 D C 0.573 176.816 176.300 -0.095 0.000 1.185 430 D CA -0.297 53.656 54.000 -0.078 0.000 0.904 430 D CB 1.822 42.581 40.800 -0.068 0.000 1.102 430 D HN 0.546 nan 8.370 nan 0.000 0.534 431 A N 3.090 125.846 122.820 -0.107 0.000 1.892 431 A HA -0.091 4.230 4.320 0.001 0.000 0.218 431 A C 2.018 179.532 177.584 -0.117 0.000 1.188 431 A CA 2.106 54.066 52.037 -0.128 0.000 0.631 431 A CB -0.876 18.019 19.000 -0.174 0.000 0.822 431 A HN 0.588 nan 8.150 nan 0.000 0.447 432 G N -0.718 108.020 108.800 -0.103 0.000 2.459 432 G HA2 -0.027 3.933 3.960 0.001 0.000 0.217 432 G HA3 -0.027 3.933 3.960 0.001 0.000 0.217 432 G C 1.783 176.647 174.900 -0.060 0.000 1.183 432 G CA 1.676 46.734 45.100 -0.070 0.000 0.776 432 G HN 0.884 nan 8.290 nan 0.000 0.552 433 A N 0.266 123.047 122.820 -0.066 0.000 1.898 433 A HA 0.058 4.378 4.320 0.001 0.000 0.216 433 A C 2.460 179.991 177.584 -0.089 0.000 1.181 433 A CA 1.866 53.865 52.037 -0.063 0.000 0.620 433 A CB -0.347 18.617 19.000 -0.061 0.000 0.819 433 A HN 0.296 nan 8.150 nan 0.000 0.442 434 M N -0.585 118.945 119.600 -0.116 0.000 2.065 434 M HA -0.137 4.344 4.480 0.001 0.000 0.259 434 M C 2.272 178.466 176.300 -0.176 0.000 1.069 434 M CA 1.471 56.678 55.300 -0.156 0.000 1.110 434 M CB -1.235 31.269 32.600 -0.159 0.000 1.328 434 M HN 0.254 nan 8.290 nan 0.000 0.405 435 V N 0.393 120.199 119.914 -0.180 0.000 2.343 435 V HA -0.265 3.855 4.120 0.001 0.000 0.247 435 V C 2.648 178.640 176.094 -0.171 0.000 1.051 435 V CA 1.893 64.038 62.300 -0.258 0.000 1.036 435 V CB -1.088 30.595 31.823 -0.234 0.000 0.654 435 V HN 0.526 nan 8.190 nan 0.000 0.451 436 A N -0.440 122.334 122.820 -0.077 0.000 1.877 436 A HA -0.205 4.116 4.320 0.001 0.000 0.216 436 A C 2.126 179.702 177.584 -0.014 0.000 1.186 436 A CA 2.134 54.159 52.037 -0.020 0.000 0.620 436 A CB -0.627 18.371 19.000 -0.003 0.000 0.822 436 A HN 0.460 nan 8.150 nan 0.000 0.443 437 L N -0.450 120.756 121.223 -0.029 0.000 2.201 437 L HA 0.036 4.376 4.340 0.001 0.000 0.212 437 L C 2.572 179.464 176.870 0.036 0.000 1.105 437 L CA 1.789 56.641 54.840 0.020 0.000 0.775 437 L CB -0.623 41.427 42.059 -0.014 0.000 0.913 437 L HN 0.346 nan 8.230 nan 0.000 0.440 438 A N -1.155 121.620 122.820 -0.075 0.000 1.898 438 A HA -0.250 4.071 4.320 0.001 0.000 0.216 438 A C 2.203 179.793 177.584 0.011 0.000 1.181 438 A CA 1.624 53.608 52.037 -0.088 0.000 0.620 438 A CB -0.527 18.350 19.000 -0.204 0.000 0.819 438 A HN 0.593 nan 8.150 nan 0.000 0.442 439 Q N -1.244 118.548 119.800 -0.013 0.000 2.152 439 Q HA -0.204 4.136 4.340 0.001 0.000 0.206 439 Q C 1.047 177.087 176.000 0.067 0.000 0.985 439 Q CA 1.654 57.472 55.803 0.024 0.000 0.863 439 Q CB -0.098 28.664 28.738 0.039 0.000 0.904 439 Q HN 0.676 nan 8.270 nan 0.000 0.422 440 N N -0.918 117.837 118.700 0.093 0.000 2.351 440 N HA -0.001 4.739 4.740 0.001 0.000 0.254 440 N C -1.578 173.987 175.510 0.090 0.000 1.241 440 N CA -0.313 52.780 53.050 0.071 0.000 0.883 440 N CB 0.353 38.864 38.487 0.039 0.000 1.202 440 N HN 0.246 nan 8.380 nan 0.000 0.512 441 W N 1.850 123.124 121.300 -0.044 0.000 2.251 441 W HA 0.155 4.815 4.660 -0.000 0.000 0.327 441 W C -0.921 175.568 176.519 -0.050 0.000 1.361 441 W CA 0.362 57.677 57.345 -0.051 0.000 1.234 441 W CB 0.580 30.005 29.460 -0.059 0.000 1.212 441 W HN -0.028 nan 8.180 nan 0.000 0.557 442 T N 5.311 119.372 114.554 -0.822 0.000 2.743 442 T HA 0.006 4.357 4.350 0.001 0.000 0.293 442 T C 0.417 174.675 174.700 -0.737 0.000 0.945 442 T CA -0.028 61.714 62.100 -0.597 0.000 1.030 442 T CB 0.989 69.559 68.868 -0.496 0.000 0.912 442 T HN 0.409 nan 8.240 nan 0.000 0.483 443 T N 3.773 118.208 114.554 -0.199 0.000 2.905 443 T HA 0.129 4.479 4.350 0.001 0.000 0.299 443 T C 0.857 175.513 174.700 -0.074 0.000 1.024 443 T CA -0.513 61.608 62.100 0.034 0.000 1.151 443 T CB -0.151 68.762 68.868 0.075 0.000 0.987 443 T HN 0.518 nan 8.240 nan 0.000 0.535 444 V N 3.738 123.670 119.914 0.031 0.000 3.139 444 V HA 0.607 4.728 4.120 0.001 0.000 0.307 444 V C 0.890 176.955 176.094 -0.049 0.000 1.095 444 V CA -0.708 61.549 62.300 -0.072 0.000 1.160 444 V CB -0.507 31.273 31.823 -0.071 0.000 1.003 444 V HN 1.120 nan 8.190 nan 0.000 0.489 445 A N 4.669 127.448 122.820 -0.067 0.000 2.386 445 A HA 0.530 4.851 4.320 0.001 0.000 0.246 445 A C -1.575 176.007 177.584 -0.003 0.000 1.089 445 A CA -0.958 51.057 52.037 -0.037 0.000 0.790 445 A CB -0.899 18.073 19.000 -0.046 0.000 1.042 445 A HN 0.993 nan 8.150 nan 0.000 0.497 446 P HA -0.037 nan 4.420 nan 0.000 0.265 446 P C -0.633 176.699 177.300 0.054 0.000 1.187 446 P CA 0.103 63.229 63.100 0.044 0.000 0.766 446 P CB 0.315 32.044 31.700 0.049 0.000 0.820 447 Q N 3.129 122.984 119.800 0.092 0.000 2.297 447 Q HA 0.073 4.413 4.340 0.001 0.000 0.267 447 Q C -0.269 175.810 176.000 0.132 0.000 1.006 447 Q CA -0.239 55.639 55.803 0.124 0.000 0.896 447 Q CB 0.453 29.311 28.738 0.200 0.000 1.186 447 Q HN 0.307 nan 8.270 nan 0.000 0.392 448 R N 3.514 124.068 120.500 0.091 0.000 2.598 448 R HA 0.428 4.768 4.340 0.001 0.000 0.279 448 R C -0.687 175.628 176.300 0.026 0.000 0.984 448 R CA -0.612 55.517 56.100 0.049 0.000 0.999 448 R CB 1.221 31.521 30.300 0.001 0.000 1.114 448 R HN 0.537 nan 8.270 nan 0.000 0.493 449 K N 1.109 121.476 120.400 -0.055 0.000 2.604 449 K HA 0.228 4.548 4.320 0.001 0.000 0.247 449 K C -1.478 174.987 176.600 -0.226 0.000 0.956 449 K CA -0.408 55.729 56.287 -0.250 0.000 0.896 449 K CB 1.308 33.680 32.500 -0.214 0.000 1.131 449 K HN 0.622 nan 8.250 nan 0.000 0.440 450 c N 7.154 125.597 118.600 -0.261 0.000 2.264 450 c HA 0.558 5.129 4.570 0.001 0.000 0.324 450 c C -0.201 173.748 174.090 -0.235 0.000 1.267 450 c CA -0.742 55.474 56.329 -0.188 0.000 1.618 450 c CB -0.793 41.640 42.510 -0.127 0.000 2.278 450 c HN 0.811 nan 8.230 nan 0.000 0.499 451 I N 6.504 126.957 120.570 -0.195 0.000 2.315 451 I HA 0.466 4.637 4.170 0.001 0.000 0.291 451 I C -0.107 175.903 176.117 -0.179 0.000 1.006 451 I CA -0.124 61.057 61.300 -0.198 0.000 1.265 451 I CB 1.482 39.386 38.000 -0.161 0.000 1.387 451 I HN 0.471 nan 8.210 nan 0.000 0.475 452 V N 6.309 126.091 119.914 -0.221 0.000 2.525 452 V HA 0.377 4.497 4.120 0.001 0.000 0.299 452 V C -0.460 175.476 176.094 -0.264 0.000 1.034 452 V CA -0.384 61.785 62.300 -0.219 0.000 0.863 452 V CB 1.857 33.542 31.823 -0.230 0.000 0.999 452 V HN 0.760 nan 8.190 nan 0.000 0.423 453 E N 6.707 126.787 120.200 -0.200 0.000 2.166 453 E HA 0.231 4.582 4.350 0.001 0.000 0.279 453 E C 0.464 176.926 176.600 -0.229 0.000 1.095 453 E CA -0.432 55.852 56.400 -0.193 0.000 0.888 453 E CB 1.293 30.926 29.700 -0.112 0.000 1.041 453 E HN 0.637 nan 8.360 nan 0.000 0.414 454 I N 2.729 123.083 120.570 -0.360 0.000 2.339 454 I HA -0.048 4.122 4.170 0.001 0.000 0.245 454 I C 0.681 176.729 176.117 -0.114 0.000 1.096 454 I CA 0.927 62.019 61.300 -0.347 0.000 1.408 454 I CB -0.769 36.744 38.000 -0.812 0.000 1.092 454 I HN 0.396 nan 8.210 nan 0.000 0.423 455 L N -2.319 118.880 121.223 -0.040 0.000 2.464 455 L HA 0.557 4.898 4.340 0.001 0.000 0.266 455 L C 0.021 176.912 176.870 0.034 0.000 0.965 455 L CA -0.376 54.484 54.840 0.033 0.000 0.833 455 L CB 1.326 43.448 42.059 0.104 0.000 1.296 455 L HN -0.256 nan 8.230 nan 0.000 0.405 456 V N -0.141 119.786 119.914 0.022 0.000 2.581 456 V HA 0.195 4.316 4.120 0.001 0.000 0.240 456 V C 0.819 176.934 176.094 0.035 0.000 1.054 456 V CA 0.758 63.072 62.300 0.022 0.000 1.076 456 V CB -0.148 31.680 31.823 0.009 0.000 0.748 456 V HN 0.915 nan 8.190 nan 0.000 0.474 457 E N 2.937 123.158 120.200 0.035 0.000 2.299 457 E HA 0.143 4.493 4.350 0.001 0.000 0.272 457 E C -2.261 174.370 176.600 0.051 0.000 1.043 457 E CA -2.306 54.117 56.400 0.038 0.000 0.895 457 E CB 0.360 30.079 29.700 0.033 0.000 1.011 457 E HN 0.297 nan 8.360 nan 0.000 0.432 458 P HA -0.027 nan 4.420 nan 0.000 0.264 458 P C -0.850 176.488 177.300 0.063 0.000 1.179 458 P CA 0.061 63.198 63.100 0.063 0.000 0.763 458 P CB 0.648 32.384 31.700 0.060 0.000 0.806 459 K N 1.666 122.109 120.400 0.071 0.000 2.324 459 K HA 0.299 4.619 4.320 0.001 0.000 0.253 459 K C -0.817 175.827 176.600 0.073 0.000 0.932 459 K CA -0.696 55.631 56.287 0.066 0.000 0.799 459 K CB 1.041 33.581 32.500 0.066 0.000 1.154 459 K HN 0.368 nan 8.250 nan 0.000 0.425 460 D N 2.660 123.103 120.400 0.071 0.000 2.351 460 D HA 0.105 4.746 4.640 0.001 0.000 0.251 460 D C 0.751 177.106 176.300 0.091 0.000 1.137 460 D CA 0.163 54.215 54.000 0.087 0.000 0.879 460 D CB 0.645 41.491 40.800 0.077 0.000 1.181 460 D HN 0.477 nan 8.370 nan 0.000 0.448 461 I N 3.046 123.691 120.570 0.125 0.000 2.296 461 I HA 0.121 4.291 4.170 0.001 0.000 0.242 461 I C 1.990 178.188 176.117 0.135 0.000 1.087 461 I CA 0.740 62.109 61.300 0.116 0.000 1.393 461 I CB -0.849 37.238 38.000 0.145 0.000 1.093 461 I HN 0.774 nan 8.210 nan 0.000 0.421 462 G N 1.507 110.426 108.800 0.198 0.000 2.622 462 G HA2 -0.470 3.491 3.960 0.001 0.000 0.307 462 G HA3 -0.470 3.491 3.960 0.001 0.000 0.307 462 G C 0.920 175.923 174.900 0.171 0.000 1.226 462 G CA 1.075 46.276 45.100 0.168 0.000 0.997 462 G HN 0.292 nan 8.290 nan 0.000 0.551 463 K N 0.686 121.149 120.400 0.106 0.000 2.137 463 K HA 0.210 4.530 4.320 0.001 0.000 0.202 463 K C 1.257 177.886 176.600 0.049 0.000 1.052 463 K CA 1.756 58.093 56.287 0.082 0.000 0.961 463 K CB 0.081 32.615 32.500 0.055 0.000 0.741 463 K HN 0.718 nan 8.250 nan 0.000 0.452 464 R N -0.480 120.041 120.500 0.035 0.000 2.594 464 R HA 0.396 4.737 4.340 0.001 0.000 0.265 464 R C -2.170 174.135 176.300 0.009 0.000 1.070 464 R CA -0.801 55.303 56.100 0.007 0.000 0.909 464 R CB 0.916 31.215 30.300 -0.001 0.000 1.243 464 R HN 0.087 nan 8.270 nan 0.000 0.455 465 L N 1.867 123.084 121.223 -0.009 0.000 2.431 465 L HA 0.565 4.905 4.340 0.001 0.000 0.266 465 L C -1.508 175.354 176.870 -0.014 0.000 0.978 465 L CA -0.149 54.689 54.840 -0.003 0.000 0.822 465 L CB 2.114 44.170 42.059 -0.005 0.000 1.310 465 L HN 0.762 nan 8.230 nan 0.000 0.409 466 E N 3.547 123.749 120.200 0.004 0.000 2.224 466 E HA 0.613 4.963 4.350 0.001 0.000 0.265 466 E C -1.888 174.734 176.600 0.037 0.000 0.878 466 E CA -0.692 55.714 56.400 0.010 0.000 0.759 466 E CB 2.156 31.863 29.700 0.012 0.000 1.164 466 E HN 0.529 nan 8.360 nan 0.000 0.414 467 V N 5.230 125.179 119.914 0.059 0.000 2.378 467 V HA 0.474 4.595 4.120 0.001 0.000 0.288 467 V C -0.271 175.917 176.094 0.157 0.000 1.016 467 V CA -0.665 61.706 62.300 0.118 0.000 0.840 467 V CB 1.451 33.383 31.823 0.183 0.000 0.994 467 V HN 0.609 nan 8.190 nan 0.000 0.431 468 R N 3.471 124.049 120.500 0.130 0.000 2.514 468 R HA 0.816 5.156 4.340 0.001 0.000 0.301 468 R C -0.912 175.464 176.300 0.127 0.000 0.962 468 R CA -0.994 55.185 56.100 0.132 0.000 0.882 468 R CB 2.279 32.630 30.300 0.086 0.000 1.143 468 R HN 0.533 nan 8.270 nan 0.000 0.452 469 K N 1.167 121.657 120.400 0.150 0.000 2.535 469 K HA 0.446 4.766 4.320 0.001 0.000 0.251 469 K C -1.584 175.094 176.600 0.131 0.000 0.942 469 K CA -0.394 55.957 56.287 0.107 0.000 0.798 469 K CB 2.157 34.693 32.500 0.060 0.000 1.267 469 K HN 0.712 nan 8.250 nan 0.000 0.434 470 A N 3.178 126.051 122.820 0.088 0.000 2.362 470 A HA 0.550 4.870 4.320 0.001 0.000 0.276 470 A C -0.745 176.897 177.584 0.097 0.000 1.153 470 A CA -0.407 51.686 52.037 0.094 0.000 0.813 470 A CB 0.376 19.410 19.000 0.056 0.000 1.081 470 A HN 0.410 nan 8.150 nan 0.000 0.507 471 V N 2.833 122.842 119.914 0.158 0.000 2.495 471 V HA 0.387 4.507 4.120 0.001 0.000 0.298 471 V C 1.214 177.382 176.094 0.123 0.000 1.031 471 V CA 0.283 62.661 62.300 0.131 0.000 0.871 471 V CB 1.744 33.682 31.823 0.192 0.000 0.988 471 V HN 1.079 nan 8.190 nan 0.000 0.432 472 T N 0.579 115.177 114.554 0.073 0.000 3.086 472 T HA 0.314 4.664 4.350 0.001 0.000 0.250 472 T C 0.982 175.754 174.700 0.120 0.000 1.074 472 T CA 0.479 62.626 62.100 0.078 0.000 0.988 472 T CB 0.189 69.074 68.868 0.029 0.000 0.988 472 T HN 1.850 nan 8.240 nan 0.000 0.530 473 A N 0.078 122.956 122.820 0.097 0.000 2.667 473 A HA -0.143 4.178 4.320 0.001 0.000 0.298 473 A C 1.191 178.866 177.584 0.153 0.000 1.483 473 A CA 0.164 52.259 52.037 0.097 0.000 0.738 473 A CB -2.894 16.179 19.000 0.122 0.000 1.067 473 A HN 1.431 nan 8.150 nan 0.000 0.451 474 c N -2.851 115.793 118.600 0.074 0.000 4.365 474 c HA -0.164 4.406 4.570 0.001 0.000 0.299 474 c C 0.870 174.999 174.090 0.065 0.000 1.409 474 c CA 0.542 56.907 56.329 0.059 0.000 2.007 474 c CB -2.759 39.778 42.510 0.045 0.000 1.264 474 c HN 2.013 nan 8.230 nan 0.000 0.777 475 L N 0.953 122.164 121.223 -0.021 0.000 2.540 475 L HA 0.477 4.817 4.340 0.001 0.000 0.276 475 L C 1.341 178.063 176.870 -0.247 0.000 1.212 475 L CA 2.338 56.959 54.840 -0.366 0.000 0.893 475 L CB 0.348 42.253 42.059 -0.257 0.000 1.138 475 L HN 1.077 nan 8.230 nan 0.000 0.491 476 G N 2.553 111.173 108.800 -0.299 0.000 2.179 476 G HA2 -0.228 3.733 3.960 0.001 0.000 0.260 476 G HA3 -0.228 3.733 3.960 0.001 0.000 0.260 476 G C 0.181 175.039 174.900 -0.071 0.000 0.977 476 G CA 0.415 45.429 45.100 -0.144 0.000 0.641 476 G HN 0.666 nan 8.290 nan 0.000 0.533 477 E N -0.273 119.901 120.200 -0.042 0.000 2.281 477 E HA 0.465 4.816 4.350 0.001 0.000 0.262 477 E C -1.861 174.759 176.600 0.034 0.000 0.933 477 E CA -2.099 54.299 56.400 -0.003 0.000 0.809 477 E CB 1.695 31.393 29.700 -0.004 0.000 1.242 477 E HN -0.026 nan 8.360 nan 0.000 0.418 478 P HA -0.105 nan 4.420 nan 0.000 0.219 478 P C 0.366 177.693 177.300 0.046 0.000 1.146 478 P CA 1.030 64.151 63.100 0.035 0.000 0.808 478 P CB 0.220 31.933 31.700 0.022 0.000 0.779 479 N N -1.464 117.259 118.700 0.038 0.000 2.276 479 N HA -0.026 4.714 4.740 0.001 0.000 0.212 479 N C 0.217 175.755 175.510 0.047 0.000 1.127 479 N CA -0.024 53.040 53.050 0.024 0.000 0.834 479 N CB -0.587 37.892 38.487 -0.013 0.000 1.014 479 N HN 0.279 nan 8.380 nan 0.000 0.491 480 H N 1.315 120.372 119.070 -0.022 0.000 3.034 480 H HA 0.119 4.675 4.556 0.000 0.000 0.324 480 H C -0.164 175.155 175.328 -0.015 0.000 1.015 480 H CA 0.724 56.761 56.048 -0.019 0.000 1.429 480 H CB 0.200 29.955 29.762 -0.012 0.000 1.429 480 H HN 0.052 nan 8.280 nan 0.000 0.585 481 I N 4.380 124.736 120.570 -0.356 0.000 2.509 481 I HA 0.155 4.326 4.170 0.001 0.000 0.293 481 I C 0.760 176.630 176.117 -0.411 0.000 1.020 481 I CA -0.242 60.866 61.300 -0.320 0.000 1.088 481 I CB 2.259 40.177 38.000 -0.138 0.000 1.267 481 I HN 0.825 nan 8.210 nan 0.000 0.430 482 T N 0.951 115.323 114.554 -0.303 0.000 2.975 482 T HA 0.268 4.619 4.350 0.001 0.000 0.261 482 T C 0.624 175.269 174.700 -0.093 0.000 0.984 482 T CA -0.200 61.785 62.100 -0.191 0.000 0.911 482 T CB 0.323 69.091 68.868 -0.168 0.000 1.127 482 T HN 0.482 nan 8.240 nan 0.000 0.514 483 R N 1.120 121.561 120.500 -0.099 0.000 2.507 483 R HA 0.570 4.911 4.340 0.001 0.000 0.298 483 R C -1.056 175.169 176.300 -0.124 0.000 1.087 483 R CA -0.615 55.440 56.100 -0.076 0.000 0.917 483 R CB 0.971 31.235 30.300 -0.060 0.000 1.173 483 R HN 0.251 nan 8.270 nan 0.000 0.472 484 L N 2.912 124.065 121.223 -0.118 0.000 2.464 484 L HA 0.185 4.525 4.340 0.001 0.000 0.264 484 L C 0.955 177.504 176.870 -0.534 0.000 1.199 484 L CA 0.499 55.229 54.840 -0.183 0.000 0.818 484 L CB 0.888 42.932 42.059 -0.025 0.000 1.102 484 L HN 0.724 nan 8.230 nan 0.000 0.473 485 E N -0.506 119.311 120.200 -0.638 0.000 4.072 485 E HA 0.228 4.578 4.350 0.001 0.000 0.247 485 E C -0.748 175.409 176.600 -0.738 0.000 1.033 485 E CA -0.797 54.721 56.400 -1.470 0.000 1.019 485 E CB 0.346 29.326 29.700 -1.199 0.000 2.662 485 E HN 0.523 nan 8.360 nan 0.000 0.514 486 H N 0.115 119.045 119.070 -0.233 0.000 2.629 486 H HA 0.352 4.909 4.556 0.001 0.000 0.357 486 H C -0.682 174.726 175.328 0.133 0.000 1.121 486 H CA -0.198 55.884 56.048 0.056 0.000 1.406 486 H CB 0.911 30.665 29.762 -0.014 0.000 1.456 486 H HN -0.082 nan 8.280 nan 0.000 0.579 487 V N 2.892 122.952 119.914 0.243 0.000 2.531 487 V HA 0.227 4.347 4.120 0.001 0.000 0.301 487 V C -0.557 175.599 176.094 0.103 0.000 1.034 487 V CA -0.792 61.592 62.300 0.141 0.000 0.865 487 V CB 1.595 33.500 31.823 0.136 0.000 0.995 487 V HN 0.756 nan 8.190 nan 0.000 0.424 488 Q N 2.842 122.669 119.800 0.046 0.000 2.316 488 Q HA 0.773 5.114 4.340 0.001 0.000 0.264 488 Q C -0.434 175.578 176.000 0.021 0.000 0.987 488 Q CA -0.628 55.184 55.803 0.017 0.000 0.852 488 Q CB 2.586 31.317 28.738 -0.013 0.000 1.287 488 Q HN 0.860 nan 8.270 nan 0.000 0.448 489 A N 3.449 126.325 122.820 0.094 0.000 2.316 489 A HA 0.375 4.695 4.320 0.001 0.000 0.324 489 A C -0.495 177.221 177.584 0.220 0.000 1.375 489 A CA -0.646 51.517 52.037 0.209 0.000 0.882 489 A CB 0.313 19.389 19.000 0.126 0.000 1.152 489 A HN 0.671 nan 8.150 nan 0.000 0.512 490 R N 2.522 123.141 120.500 0.199 0.000 2.242 490 R HA 0.432 4.773 4.340 0.001 0.000 0.334 490 R C -0.967 175.472 176.300 0.233 0.000 1.071 490 R CA 0.080 56.265 56.100 0.142 0.000 0.922 490 R CB 0.437 30.769 30.300 0.052 0.000 1.023 490 R HN 0.642 nan 8.270 nan 0.000 0.458 491 L N 2.064 123.437 121.223 0.249 0.000 2.334 491 L HA 0.520 4.860 4.340 0.001 0.000 0.276 491 L C -0.004 177.021 176.870 0.258 0.000 1.014 491 L CA -0.765 54.214 54.840 0.230 0.000 0.815 491 L CB 2.272 44.435 42.059 0.175 0.000 1.268 491 L HN 0.460 nan 8.230 nan 0.000 0.428 492 T N 4.080 118.763 114.554 0.215 0.000 2.906 492 T HA 0.682 5.032 4.350 0.001 0.000 0.302 492 T C -0.750 174.065 174.700 0.191 0.000 1.002 492 T CA -0.454 61.773 62.100 0.212 0.000 0.988 492 T CB 1.284 70.245 68.868 0.154 0.000 0.972 492 T HN 0.409 nan 8.240 nan 0.000 0.447 493 L N 0.554 121.912 121.223 0.226 0.000 2.479 493 L HA 1.006 5.346 4.340 0.001 0.000 0.255 493 L C -0.489 176.480 176.870 0.165 0.000 1.026 493 L CA -1.023 53.929 54.840 0.185 0.000 0.842 493 L CB 1.770 43.941 42.059 0.187 0.000 1.444 493 L HN 0.486 nan 8.230 nan 0.000 0.409 494 S N -0.057 115.732 115.700 0.147 0.000 2.500 494 S HA 0.870 5.341 4.470 0.001 0.000 0.301 494 S C -1.162 173.544 174.600 0.177 0.000 1.092 494 S CA -0.547 57.722 58.200 0.114 0.000 1.030 494 S CB 1.441 64.693 63.200 0.087 0.000 1.031 494 S HN 0.854 nan 8.310 nan 0.000 0.483 495 Y N 1.727 121.973 120.300 -0.090 0.000 2.609 495 Y HA 0.373 4.923 4.550 0.000 0.000 0.336 495 Y C 0.678 176.422 175.900 -0.261 0.000 1.129 495 Y CA -1.091 56.906 58.100 -0.173 0.000 1.040 495 Y CB 1.608 39.998 38.460 -0.117 0.000 1.310 495 Y HN 0.788 nan 8.280 nan 0.000 0.460 496 N N 1.431 119.643 118.700 -0.814 0.000 2.333 496 N HA -0.003 4.738 4.740 0.001 0.000 0.178 496 N C 0.110 175.457 175.510 -0.271 0.000 1.018 496 N CA 0.765 53.451 53.050 -0.608 0.000 0.882 496 N CB 0.384 38.247 38.487 -1.040 0.000 0.984 496 N HN 0.353 nan 8.380 nan 0.000 0.434 497 R N 1.144 121.543 120.500 -0.168 0.000 2.607 497 R HA 0.242 4.582 4.340 0.001 0.000 0.278 497 R C 0.629 177.026 176.300 0.161 0.000 1.637 497 R CA -0.344 55.773 56.100 0.028 0.000 1.325 497 R CB 0.618 30.939 30.300 0.035 0.000 1.211 497 R HN 0.168 nan 8.270 nan 0.000 0.565 498 R N 1.070 121.613 120.500 0.070 0.000 2.113 498 R HA -0.142 4.199 4.340 0.001 0.000 0.244 498 R C 1.586 177.882 176.300 -0.008 0.000 1.142 498 R CA 2.386 58.492 56.100 0.010 0.000 0.953 498 R CB -0.263 29.938 30.300 -0.166 0.000 0.860 498 R HN 0.625 nan 8.270 nan 0.000 0.438 499 G N -0.318 108.448 108.800 -0.056 0.000 2.527 499 G HA2 -0.219 3.742 3.960 0.001 0.000 0.219 499 G HA3 -0.219 3.742 3.960 0.001 0.000 0.219 499 G C 0.646 175.505 174.900 -0.068 0.000 1.117 499 G CA 0.862 45.908 45.100 -0.089 0.000 0.759 499 G HN 0.350 nan 8.290 nan 0.000 0.556 500 D N -0.172 120.221 120.400 -0.011 0.000 2.347 500 D HA 0.102 4.742 4.640 0.001 0.000 0.213 500 D C 1.259 177.531 176.300 -0.047 0.000 0.985 500 D CA -0.019 53.983 54.000 0.003 0.000 0.879 500 D CB 0.185 41.046 40.800 0.102 0.000 0.919 500 D HN 0.239 nan 8.370 nan 0.000 0.526 501 L N 0.541 121.700 121.223 -0.108 0.000 2.417 501 L HA 0.444 4.784 4.340 0.001 0.000 0.268 501 L C 0.243 177.024 176.870 -0.148 0.000 1.158 501 L CA -0.549 54.169 54.840 -0.203 0.000 0.819 501 L CB 1.048 42.943 42.059 -0.274 0.000 1.112 501 L HN -0.144 nan 8.230 nan 0.000 0.458 502 A N 4.762 127.483 122.820 -0.164 0.000 2.375 502 A HA 0.776 5.097 4.320 0.001 0.000 0.295 502 A C -0.875 176.584 177.584 -0.209 0.000 1.066 502 A CA -0.403 51.534 52.037 -0.166 0.000 0.722 502 A CB 0.928 19.896 19.000 -0.055 0.000 1.206 502 A HN 0.603 nan 8.150 nan 0.000 0.435 503 I N 2.223 122.563 120.570 -0.384 0.000 2.465 503 I HA 0.478 4.649 4.170 0.001 0.000 0.291 503 I C -0.768 175.032 176.117 -0.529 0.000 1.014 503 I CA -0.545 60.508 61.300 -0.413 0.000 1.093 503 I CB 2.145 39.775 38.000 -0.617 0.000 1.267 503 I HN 0.762 nan 8.210 nan 0.000 0.431 504 H N 4.837 123.770 119.070 -0.228 0.000 2.768 504 H HA 0.675 5.232 4.556 0.001 0.000 0.371 504 H C -1.341 173.923 175.328 -0.107 0.000 1.151 504 H CA -0.700 55.258 56.048 -0.149 0.000 1.165 504 H CB 2.423 32.123 29.762 -0.103 0.000 1.722 504 H HN 0.341 nan 8.280 nan 0.000 0.543 505 L N 2.999 124.276 121.223 0.090 0.000 2.381 505 L HA 0.559 4.900 4.340 0.001 0.000 0.274 505 L C -1.510 175.477 176.870 0.196 0.000 0.988 505 L CA -0.338 54.594 54.840 0.153 0.000 0.824 505 L CB 0.993 43.164 42.059 0.186 0.000 1.263 505 L HN 0.623 nan 8.230 nan 0.000 0.410 506 I N 4.045 124.726 120.570 0.186 0.000 2.389 506 I HA 0.401 4.571 4.170 0.001 0.000 0.288 506 I C 0.222 176.266 176.117 -0.122 0.000 0.999 506 I CA -0.587 60.746 61.300 0.055 0.000 1.129 506 I CB 1.944 39.953 38.000 0.016 0.000 1.288 506 I HN 0.746 nan 8.210 nan 0.000 0.444 507 S N 5.491 120.970 115.700 -0.369 0.000 2.603 507 S HA 0.321 4.791 4.470 0.001 0.000 0.268 507 S C -1.923 172.225 174.600 -0.754 0.000 1.317 507 S CA -1.042 56.505 58.200 -1.089 0.000 1.012 507 S CB 1.037 63.773 63.200 -0.773 0.000 0.926 507 S HN 0.383 nan 8.310 nan 0.000 0.539 508 P HA -0.089 nan 4.420 nan 0.000 0.217 508 P C 0.945 178.088 177.300 -0.261 0.000 1.148 508 P CA 1.490 64.318 63.100 -0.452 0.000 0.828 508 P CB -0.073 31.402 31.700 -0.375 0.000 0.783 509 M N -1.974 117.477 119.600 -0.247 0.000 2.639 509 M HA 0.216 4.697 4.480 0.001 0.000 0.220 509 M C 0.975 177.214 176.300 -0.102 0.000 1.155 509 M CA 0.615 55.836 55.300 -0.130 0.000 1.003 509 M CB -0.590 31.959 32.600 -0.085 0.000 1.725 509 M HN 0.048 nan 8.290 nan 0.000 0.489 510 G N 0.293 109.013 108.800 -0.132 0.000 2.162 510 G HA2 -0.219 3.741 3.960 0.001 0.000 0.260 510 G HA3 -0.219 3.741 3.960 0.001 0.000 0.260 510 G C 0.127 175.001 174.900 -0.042 0.000 0.976 510 G CA 0.248 45.300 45.100 -0.080 0.000 0.655 510 G HN 0.422 nan 8.290 nan 0.000 0.533 511 T N 0.761 115.287 114.554 -0.046 0.000 2.737 511 T HA 0.426 4.777 4.350 0.001 0.000 0.296 511 T C 0.579 175.312 174.700 0.055 0.000 0.922 511 T CA -0.080 62.037 62.100 0.029 0.000 1.079 511 T CB 1.106 70.012 68.868 0.063 0.000 0.892 511 T HN 0.469 nan 8.240 nan 0.000 0.514 512 R N 2.964 123.520 120.500 0.094 0.000 2.204 512 R HA 0.345 4.685 4.340 0.001 0.000 0.341 512 R C -0.567 175.860 176.300 0.213 0.000 1.035 512 R CA -0.216 55.958 56.100 0.124 0.000 0.887 512 R CB 0.286 30.636 30.300 0.083 0.000 1.114 512 R HN 0.499 nan 8.270 nan 0.000 0.473 513 S N 2.350 118.165 115.700 0.191 0.000 2.462 513 S HA 0.201 4.671 4.470 0.001 0.000 0.294 513 S C -0.492 174.183 174.600 0.124 0.000 1.144 513 S CA -0.531 57.775 58.200 0.176 0.000 1.088 513 S CB 1.888 65.111 63.200 0.038 0.000 1.009 513 S HN 0.515 nan 8.310 nan 0.000 0.484 514 T N 4.696 119.317 114.554 0.113 0.000 2.863 514 T HA 0.202 4.553 4.350 0.001 0.000 0.299 514 T C 1.489 176.024 174.700 -0.276 0.000 0.973 514 T CA -0.220 61.654 62.100 -0.376 0.000 0.994 514 T CB -0.179 68.296 68.868 -0.656 0.000 0.961 514 T HN 0.445 nan 8.240 nan 0.000 0.552 515 L N 2.708 123.733 121.223 -0.330 0.000 2.156 515 L HA 0.188 4.528 4.340 0.001 0.000 0.208 515 L C 0.481 177.195 176.870 -0.260 0.000 1.095 515 L CA 0.785 55.469 54.840 -0.261 0.000 0.770 515 L CB -0.071 41.717 42.059 -0.451 0.000 0.914 515 L HN 0.397 nan 8.230 nan 0.000 0.439 516 L N -0.511 120.471 121.223 -0.402 0.000 2.614 516 L HA 0.638 4.978 4.340 0.001 0.000 0.264 516 L C -0.716 175.983 176.870 -0.284 0.000 0.940 516 L CA -0.283 54.401 54.840 -0.259 0.000 0.903 516 L CB 1.390 43.273 42.059 -0.294 0.000 1.306 516 L HN -0.115 nan 8.230 nan 0.000 0.410 517 A N 3.577 126.288 122.820 -0.181 0.000 2.281 517 A HA 0.937 5.257 4.320 0.001 0.000 0.329 517 A C 0.076 177.599 177.584 -0.101 0.000 1.122 517 A CA -0.174 51.765 52.037 -0.162 0.000 0.850 517 A CB 0.971 19.889 19.000 -0.136 0.000 1.207 517 A HN 1.332 nan 8.150 nan 0.000 0.495 518 A N 0.527 123.286 122.820 -0.102 0.000 2.531 518 A HA 0.454 4.775 4.320 0.001 0.000 0.236 518 A C 0.339 177.867 177.584 -0.093 0.000 1.062 518 A CA 0.259 52.236 52.037 -0.100 0.000 0.760 518 A CB -0.147 18.782 19.000 -0.118 0.000 0.995 518 A HN 0.686 nan 8.150 nan 0.000 0.501 519 R N 3.350 123.798 120.500 -0.087 0.000 2.415 519 R HA 0.258 4.598 4.340 0.001 0.000 0.292 519 R C -2.059 174.137 176.300 -0.174 0.000 1.295 519 R CA -1.606 54.455 56.100 -0.067 0.000 1.137 519 R CB 1.503 31.792 30.300 -0.018 0.000 1.135 519 R HN 0.592 nan 8.270 nan 0.000 0.560 520 P HA -0.219 nan 4.420 nan 0.000 0.220 520 P C 0.288 177.241 177.300 -0.577 0.000 1.144 520 P CA 1.412 64.279 63.100 -0.389 0.000 0.800 520 P CB 0.287 31.730 31.700 -0.429 0.000 0.772 521 H N -1.489 117.420 119.070 -0.268 0.000 2.539 521 H HA 0.131 4.688 4.556 0.001 0.000 0.269 521 H C 0.145 175.107 175.328 -0.611 0.000 0.980 521 H CA 0.054 55.868 56.048 -0.390 0.000 1.152 521 H CB -0.036 29.672 29.762 -0.090 0.000 1.407 521 H HN 0.177 nan 8.280 nan 0.000 0.564 522 D N 0.269 120.409 120.400 -0.433 0.000 2.411 522 D HA 0.012 4.652 4.640 0.001 0.000 0.225 522 D C -0.037 176.028 176.300 -0.392 0.000 1.156 522 D CA -0.362 53.454 54.000 -0.306 0.000 0.874 522 D CB -0.007 40.701 40.800 -0.154 0.000 1.034 522 D HN 0.159 nan 8.370 nan 0.000 0.502 523 Y N 1.375 121.676 120.300 0.001 0.000 2.467 523 Y HA 0.162 4.712 4.550 0.001 0.000 0.250 523 Y C 1.541 177.418 175.900 -0.040 0.000 1.155 523 Y CA -0.538 57.554 58.100 -0.014 0.000 1.249 523 Y CB 0.320 38.779 38.460 -0.002 0.000 1.146 523 Y HN 0.246 nan 8.280 nan 0.000 0.524 524 S N 1.051 116.774 115.700 0.038 0.000 2.558 524 S HA 0.195 4.665 4.470 0.001 0.000 0.287 524 S C 1.126 175.697 174.600 -0.048 0.000 1.321 524 S CA 0.442 58.628 58.200 -0.024 0.000 1.048 524 S CB 0.806 63.944 63.200 -0.103 0.000 0.844 524 S HN 0.445 nan 8.310 nan 0.000 0.512 525 A N 3.210 125.999 122.820 -0.052 0.000 2.503 525 A HA 0.294 4.614 4.320 0.001 0.000 0.263 525 A C 1.075 178.615 177.584 -0.074 0.000 1.258 525 A CA -0.174 51.824 52.037 -0.066 0.000 0.936 525 A CB 0.012 18.984 19.000 -0.046 0.000 1.070 525 A HN 0.772 nan 8.150 nan 0.000 0.522 526 D N 0.418 120.756 120.400 -0.104 0.000 2.277 526 D HA 0.240 4.880 4.640 0.001 0.000 0.208 526 D C 1.600 177.806 176.300 -0.156 0.000 0.962 526 D CA 1.479 55.409 54.000 -0.117 0.000 0.865 526 D CB 0.062 40.778 40.800 -0.140 0.000 0.939 526 D HN 0.590 nan 8.370 nan 0.000 0.510 527 G N -0.022 108.635 108.800 -0.239 0.000 2.552 527 G HA2 -0.265 3.696 3.960 0.001 0.000 0.265 527 G HA3 -0.265 3.696 3.960 0.001 0.000 0.265 527 G C -0.404 174.169 174.900 -0.545 0.000 1.234 527 G CA -0.248 44.683 45.100 -0.282 0.000 0.944 527 G HN 0.232 nan 8.290 nan 0.000 0.568 528 F N 0.770 120.744 119.950 0.041 0.000 2.565 528 F HA 0.553 5.080 4.527 -0.000 0.000 0.313 528 F C 0.360 176.216 175.800 0.094 0.000 1.091 528 F CA -0.612 57.419 58.000 0.052 0.000 0.915 528 F CB 2.392 41.483 39.000 0.152 0.000 1.208 528 F HN 0.580 nan 8.300 nan 0.000 0.453 529 N N 2.230 121.103 118.700 0.289 0.000 2.626 529 N HA 0.142 4.883 4.740 0.001 0.000 0.249 529 N C -0.942 174.704 175.510 0.228 0.000 1.021 529 N CA -0.163 53.012 53.050 0.207 0.000 0.886 529 N CB 0.529 39.095 38.487 0.130 0.000 1.149 529 N HN 0.789 nan 8.380 nan 0.000 0.517 530 D N 2.419 122.941 120.400 0.202 0.000 2.689 530 D HA -0.225 4.415 4.640 0.001 0.000 0.237 530 D C -0.876 175.503 176.300 0.132 0.000 1.148 530 D CA 0.583 54.666 54.000 0.138 0.000 0.656 530 D CB -0.901 39.944 40.800 0.074 0.000 1.050 530 D HN 0.573 nan 8.370 nan 0.000 0.426 531 W N 0.368 121.646 121.300 -0.037 0.000 2.311 531 W HA 0.536 5.197 4.660 0.001 0.000 0.310 531 W C -0.048 176.275 176.519 -0.326 0.000 1.274 531 W CA -0.336 56.868 57.345 -0.235 0.000 1.215 531 W CB 0.650 29.884 29.460 -0.376 0.000 1.227 531 W HN 0.228 nan 8.180 nan 0.000 0.523 532 A N 7.653 129.933 122.820 -0.900 0.000 3.004 532 A HA 0.276 4.597 4.320 0.001 0.000 0.286 532 A C -0.760 176.450 177.584 -0.623 0.000 1.632 532 A CA -0.453 51.230 52.037 -0.591 0.000 1.339 532 A CB -0.971 17.738 19.000 -0.486 0.000 1.136 532 A HN 0.512 nan 8.150 nan 0.000 0.577 533 F N 1.736 121.511 119.950 -0.292 0.000 2.578 533 F HA 0.170 4.698 4.527 0.001 0.000 0.376 533 F C 0.828 176.541 175.800 -0.145 0.000 1.085 533 F CA 0.612 58.513 58.000 -0.165 0.000 1.260 533 F CB 0.551 39.486 39.000 -0.108 0.000 1.095 533 F HN 0.383 nan 8.300 nan 0.000 0.573 534 M N 3.476 123.089 119.600 0.021 0.000 2.383 534 M HA 0.357 4.838 4.480 0.001 0.000 0.325 534 M C -0.864 175.470 176.300 0.057 0.000 1.092 534 M CA -0.214 55.096 55.300 0.017 0.000 0.961 534 M CB 1.973 34.536 32.600 -0.063 0.000 1.672 534 M HN 0.631 nan 8.290 nan 0.000 0.438 535 T N 1.581 116.192 114.554 0.095 0.000 2.861 535 T HA 0.532 4.883 4.350 0.001 0.000 0.287 535 T C 0.650 175.472 174.700 0.203 0.000 1.003 535 T CA -0.208 61.939 62.100 0.078 0.000 0.977 535 T CB 0.922 69.819 68.868 0.048 0.000 0.996 535 T HN 0.832 nan 8.240 nan 0.000 0.448 536 T N 0.480 115.191 114.554 0.261 0.000 3.054 536 T HA 0.191 4.542 4.350 0.001 0.000 0.255 536 T C 1.239 176.262 174.700 0.538 0.000 1.035 536 T CA 0.120 62.478 62.100 0.430 0.000 0.941 536 T CB -0.432 68.665 68.868 0.381 0.000 1.026 536 T HN 0.818 nan 8.240 nan 0.000 0.533 537 H N 1.027 120.188 119.070 0.153 0.000 2.545 537 H HA 0.140 4.696 4.556 0.001 0.000 0.282 537 H C 1.188 176.643 175.328 0.211 0.000 1.020 537 H CA 0.606 56.705 56.048 0.084 0.000 1.243 537 H CB 0.312 30.040 29.762 -0.058 0.000 1.377 537 H HN 0.352 nan 8.280 nan 0.000 0.581 538 S N 0.247 116.174 115.700 0.378 0.000 2.575 538 S HA -0.028 4.443 4.470 0.001 0.000 0.237 538 S C 0.031 174.811 174.600 0.299 0.000 0.975 538 S CA -0.468 57.908 58.200 0.293 0.000 0.960 538 S CB 0.051 63.412 63.200 0.269 0.000 0.822 538 S HN 0.370 nan 8.310 nan 0.000 0.472 539 W N 3.230 124.628 121.300 0.163 0.000 2.343 539 W HA -0.066 4.594 4.660 0.001 0.000 0.337 539 W C 0.024 176.575 176.519 0.053 0.000 1.320 539 W CA 1.035 58.413 57.345 0.056 0.000 1.290 539 W CB 0.048 29.491 29.460 -0.028 0.000 1.206 539 W HN 0.393 nan 8.180 nan 0.000 0.565 540 D N 1.406 121.808 120.400 0.003 0.000 2.911 540 D HA -0.211 4.429 4.640 0.001 0.000 0.199 540 D C 0.068 176.405 176.300 0.062 0.000 1.041 540 D CA 1.472 55.515 54.000 0.071 0.000 1.013 540 D CB -0.883 40.050 40.800 0.222 0.000 1.093 540 D HN 0.595 nan 8.370 nan 0.000 0.431 541 E N 0.736 120.979 120.200 0.072 0.000 2.371 541 E HA 0.238 4.588 4.350 0.001 0.000 0.257 541 E C 0.108 176.728 176.600 0.033 0.000 1.134 541 E CA -0.462 55.971 56.400 0.055 0.000 0.919 541 E CB 0.701 30.435 29.700 0.057 0.000 1.025 541 E HN 0.020 nan 8.360 nan 0.000 0.438 542 D N 1.941 122.353 120.400 0.020 0.000 2.295 542 D HA 0.064 4.704 4.640 0.001 0.000 0.248 542 D C -1.601 174.730 176.300 0.051 0.000 1.154 542 D CA -2.310 51.702 54.000 0.021 0.000 0.857 542 D CB 1.119 41.925 40.800 0.011 0.000 1.117 542 D HN 0.106 nan 8.370 nan 0.000 0.468 543 P HA 0.057 nan 4.420 nan 0.000 0.236 543 P C 0.106 177.585 177.300 0.298 0.000 1.177 543 P CA -0.031 63.252 63.100 0.305 0.000 0.773 543 P CB 0.169 32.068 31.700 0.332 0.000 0.878 544 A N 0.307 123.222 122.820 0.159 0.000 2.488 544 A HA 0.508 4.828 4.320 0.001 0.000 0.249 544 A C 0.913 178.547 177.584 0.083 0.000 1.083 544 A CA 0.846 52.968 52.037 0.142 0.000 0.768 544 A CB -0.747 18.322 19.000 0.115 0.000 1.017 544 A HN 0.445 nan 8.150 nan 0.000 0.496 545 G N 0.990 109.851 108.800 0.101 0.000 2.302 545 G HA2 0.251 4.211 3.960 0.001 0.000 0.276 545 G HA3 0.251 4.211 3.960 0.001 0.000 0.276 545 G C -0.689 174.254 174.900 0.072 0.000 1.316 545 G CA -0.208 44.913 45.100 0.034 0.000 0.988 545 G HN 1.115 nan 8.290 nan 0.000 0.479 546 E N -0.259 119.942 120.200 0.002 0.000 2.167 546 E HA 0.508 4.858 4.350 0.001 0.000 0.284 546 E C -0.917 175.690 176.600 0.013 0.000 1.016 546 E CA -0.781 55.653 56.400 0.056 0.000 0.817 546 E CB 0.597 30.317 29.700 0.033 0.000 1.080 546 E HN 0.433 nan 8.360 nan 0.000 0.397 547 W N 3.316 124.643 121.300 0.044 0.000 2.449 547 W HA 0.466 5.127 4.660 0.003 0.000 0.331 547 W C -0.815 175.760 176.519 0.094 0.000 1.119 547 W CA -0.471 56.917 57.345 0.072 0.000 1.240 547 W CB 1.617 31.130 29.460 0.087 0.000 1.251 547 W HN 0.214 nan 8.180 nan 0.000 0.576 548 V N 4.348 124.458 119.914 0.326 0.000 2.577 548 V HA 0.372 4.492 4.120 0.001 0.000 0.303 548 V C -1.081 175.130 176.094 0.196 0.000 1.042 548 V CA -1.061 61.368 62.300 0.215 0.000 0.872 548 V CB 1.493 33.377 31.823 0.102 0.000 0.998 548 V HN 0.319 nan 8.190 nan 0.000 0.423 549 L N 4.605 125.909 121.223 0.135 0.000 2.307 549 L HA 0.653 4.993 4.340 0.001 0.000 0.284 549 L C -0.207 176.628 176.870 -0.057 0.000 1.023 549 L CA 0.335 55.148 54.840 -0.045 0.000 0.810 549 L CB 1.503 43.361 42.059 -0.334 0.000 1.231 549 L HN 0.708 nan 8.230 nan 0.000 0.423 550 E N 6.080 126.241 120.200 -0.066 0.000 2.199 550 E HA 0.533 4.884 4.350 0.001 0.000 0.265 550 E C -1.221 175.329 176.600 -0.083 0.000 0.882 550 E CA -0.375 55.997 56.400 -0.047 0.000 0.759 550 E CB 2.241 31.934 29.700 -0.011 0.000 1.148 550 E HN 0.505 nan 8.360 nan 0.000 0.412 551 I N 3.262 123.773 120.570 -0.098 0.000 2.466 551 I HA 0.267 4.437 4.170 0.001 0.000 0.289 551 I C -0.387 175.667 176.117 -0.104 0.000 1.026 551 I CA -0.590 60.626 61.300 -0.140 0.000 1.078 551 I CB 1.618 39.512 38.000 -0.176 0.000 1.249 551 I HN 0.536 nan 8.210 nan 0.000 0.429 552 E N 4.560 124.695 120.200 -0.108 0.000 2.356 552 E HA 0.352 4.703 4.350 0.001 0.000 0.275 552 E C -1.362 175.182 176.600 -0.093 0.000 0.904 552 E CA -1.014 55.341 56.400 -0.075 0.000 0.757 552 E CB 2.255 31.932 29.700 -0.039 0.000 1.232 552 E HN 0.387 nan 8.360 nan 0.000 0.442 553 N N 1.531 120.211 118.700 -0.034 0.000 2.406 553 N HA 0.032 4.772 4.740 0.001 0.000 0.251 553 N C 0.497 176.012 175.510 0.009 0.000 1.069 553 N CA -0.022 53.038 53.050 0.016 0.000 0.947 553 N CB 1.219 39.788 38.487 0.136 0.000 1.111 553 N HN 0.631 nan 8.380 nan 0.000 0.497 554 T N -0.276 114.271 114.554 -0.012 0.000 3.160 554 T HA 0.034 4.385 4.350 0.001 0.000 0.257 554 T C 0.863 175.557 174.700 -0.009 0.000 1.147 554 T CA -0.042 62.046 62.100 -0.019 0.000 1.064 554 T CB -0.137 68.707 68.868 -0.042 0.000 0.949 554 T HN 0.315 nan 8.240 nan 0.000 0.526 555 S N -0.045 115.664 115.700 0.014 0.000 2.687 555 S HA 0.400 4.870 4.470 0.001 0.000 0.283 555 S C 0.735 175.351 174.600 0.027 0.000 1.170 555 S CA -0.588 57.624 58.200 0.019 0.000 1.008 555 S CB 1.785 65.006 63.200 0.035 0.000 1.026 555 S HN 0.220 nan 8.310 nan 0.000 0.541 556 E N 1.398 121.611 120.200 0.022 0.000 2.442 556 E HA 0.359 4.709 4.350 0.001 0.000 0.195 556 E C 0.585 177.204 176.600 0.031 0.000 1.030 556 E CA 0.304 56.718 56.400 0.023 0.000 0.869 556 E CB 0.011 29.720 29.700 0.015 0.000 0.857 556 E HN 0.709 nan 8.360 nan 0.000 0.505 557 A N 1.056 123.898 122.820 0.037 0.000 2.483 557 A HA 0.035 4.355 4.320 0.001 0.000 0.238 557 A C 0.301 177.915 177.584 0.050 0.000 1.070 557 A CA -0.116 51.946 52.037 0.041 0.000 0.770 557 A CB -0.002 19.024 19.000 0.043 0.000 1.008 557 A HN 0.216 nan 8.150 nan 0.000 0.497 558 N N 2.311 121.043 118.700 0.052 0.000 2.739 558 N HA 0.045 4.786 4.740 0.001 0.000 0.266 558 N C -0.493 175.081 175.510 0.106 0.000 1.168 558 N CA 0.002 53.095 53.050 0.072 0.000 1.055 558 N CB -0.475 38.047 38.487 0.059 0.000 1.393 558 N HN 0.597 nan 8.380 nan 0.000 0.514 559 N N 1.303 120.032 118.700 0.050 0.000 2.491 559 N HA 0.420 5.161 4.740 0.001 0.000 0.279 559 N C -0.867 174.585 175.510 -0.096 0.000 1.236 559 N CA -0.105 52.845 53.050 -0.167 0.000 0.982 559 N CB 0.750 39.040 38.487 -0.329 0.000 1.194 559 N HN 0.486 nan 8.380 nan 0.000 0.582 560 Y N -4.257 115.709 120.300 -0.557 0.000 2.620 560 Y HA 0.650 5.200 4.550 0.001 0.000 0.331 560 Y C -0.391 175.284 175.900 -0.375 0.000 1.173 560 Y CA -1.232 56.688 58.100 -0.301 0.000 1.076 560 Y CB 0.927 39.294 38.460 -0.155 0.000 1.336 560 Y HN 0.714 nan 8.280 nan 0.000 0.459 561 G N 0.103 108.961 108.800 0.097 0.000 2.322 561 G HA2 0.525 4.485 3.960 0.001 0.000 0.295 561 G HA3 0.525 4.485 3.960 0.001 0.000 0.295 561 G C -1.938 173.098 174.900 0.228 0.000 1.369 561 G CA -0.670 44.545 45.100 0.192 0.000 0.821 561 G HN 0.779 nan 8.290 nan 0.000 0.536 562 T N 0.209 114.876 114.554 0.188 0.000 2.916 562 T HA 0.521 4.871 4.350 0.001 0.000 0.298 562 T C -1.099 173.675 174.700 0.124 0.000 1.031 562 T CA -0.441 61.743 62.100 0.140 0.000 0.993 562 T CB 1.864 70.799 68.868 0.113 0.000 1.045 562 T HN 0.788 nan 8.240 nan 0.000 0.454 563 L N 3.900 125.183 121.223 0.099 0.000 2.260 563 L HA 0.485 4.825 4.340 0.001 0.000 0.289 563 L C 1.345 178.272 176.870 0.096 0.000 1.057 563 L CA 0.281 55.174 54.840 0.089 0.000 0.811 563 L CB 0.701 42.792 42.059 0.054 0.000 1.184 563 L HN 0.904 nan 8.230 nan 0.000 0.429 564 T N 1.103 115.720 114.554 0.104 0.000 3.014 564 T HA 0.233 4.583 4.350 0.001 0.000 0.250 564 T C 0.579 175.339 174.700 0.100 0.000 1.060 564 T CA 0.041 62.197 62.100 0.094 0.000 1.040 564 T CB 0.009 68.929 68.868 0.086 0.000 0.971 564 T HN 0.505 nan 8.240 nan 0.000 0.497 565 K N -0.046 120.429 120.400 0.126 0.000 2.557 565 K HA 0.514 4.834 4.320 0.001 0.000 0.257 565 K C -2.466 174.270 176.600 0.227 0.000 0.933 565 K CA -1.007 55.364 56.287 0.140 0.000 0.820 565 K CB 1.938 34.502 32.500 0.107 0.000 1.330 565 K HN 0.024 nan 8.250 nan 0.000 0.432 566 F N 3.065 123.023 119.950 0.013 0.000 2.828 566 F HA 0.429 4.957 4.527 0.001 0.000 0.355 566 F C -1.609 174.173 175.800 -0.031 0.000 1.200 566 F CA -0.405 57.595 58.000 -0.001 0.000 1.062 566 F CB 1.580 40.578 39.000 -0.004 0.000 1.351 566 F HN 0.378 nan 8.300 nan 0.000 0.504 567 T N 7.230 121.839 114.554 0.092 0.000 2.779 567 T HA 0.502 4.853 4.350 0.001 0.000 0.280 567 T C -1.007 173.575 174.700 -0.196 0.000 0.987 567 T CA -0.438 61.561 62.100 -0.168 0.000 0.966 567 T CB 1.402 70.222 68.868 -0.080 0.000 0.933 567 T HN 0.528 nan 8.240 nan 0.000 0.442 568 L N 5.404 126.370 121.223 -0.428 0.000 2.264 568 L HA 0.613 4.953 4.340 0.001 0.000 0.289 568 L C -0.882 175.796 176.870 -0.319 0.000 1.044 568 L CA -0.294 54.319 54.840 -0.379 0.000 0.807 568 L CB 0.848 42.537 42.059 -0.616 0.000 1.192 568 L HN 0.419 nan 8.230 nan 0.000 0.425 569 V N 6.835 126.598 119.914 -0.251 0.000 2.357 569 V HA 0.425 4.545 4.120 0.001 0.000 0.284 569 V C -0.098 175.817 176.094 -0.299 0.000 1.018 569 V CA -0.561 61.567 62.300 -0.286 0.000 0.841 569 V CB 1.416 33.091 31.823 -0.245 0.000 0.991 569 V HN 0.566 nan 8.190 nan 0.000 0.437 570 L N 5.536 126.552 121.223 -0.346 0.000 2.307 570 L HA 0.600 4.940 4.340 0.001 0.000 0.284 570 L C -1.064 175.622 176.870 -0.306 0.000 1.023 570 L CA -0.578 54.117 54.840 -0.243 0.000 0.810 570 L CB 1.264 43.210 42.059 -0.188 0.000 1.231 570 L HN 0.491 nan 8.230 nan 0.000 0.423 571 Y N 1.234 121.497 120.300 -0.062 0.000 2.409 571 Y HA 0.821 5.371 4.550 -0.000 0.000 0.339 571 Y C 0.724 176.552 175.900 -0.120 0.000 1.033 571 Y CA -0.205 57.868 58.100 -0.045 0.000 1.094 571 Y CB 2.334 40.814 38.460 0.033 0.000 1.210 571 Y HN 0.707 nan 8.280 nan 0.000 0.456 572 G N 0.265 109.091 108.800 0.043 0.000 2.336 572 G HA2 0.443 4.403 3.960 0.001 0.000 0.286 572 G HA3 0.443 4.403 3.960 0.001 0.000 0.286 572 G C -1.167 173.704 174.900 -0.048 0.000 1.269 572 G CA -0.392 44.662 45.100 -0.078 0.000 0.873 572 G HN 0.715 nan 8.290 nan 0.000 0.494 573 T N -2.459 112.049 114.554 -0.076 0.000 2.887 573 T HA 0.926 5.276 4.350 0.001 0.000 0.292 573 T C -0.290 174.353 174.700 -0.094 0.000 1.087 573 T CA 0.114 62.177 62.100 -0.061 0.000 1.009 573 T CB 1.791 70.630 68.868 -0.048 0.000 1.203 573 T HN 2.218 nan 8.240 nan 0.000 0.518 574 A N 1.196 123.968 122.820 -0.080 0.000 2.401 574 A HA 0.858 5.178 4.320 0.001 0.000 0.310 574 A C -2.535 175.017 177.584 -0.054 0.000 1.075 574 A CA -1.586 50.395 52.037 -0.093 0.000 0.746 574 A CB -0.183 18.770 19.000 -0.077 0.000 1.277 574 A HN 0.791 nan 8.150 nan 0.000 0.425 575 P HA 0.000 nan 4.420 nan 0.000 0.216 575 P CA 0.000 63.078 63.100 -0.036 0.000 0.800 575 P CB 0.000 31.685 31.700 -0.025 0.000 0.726