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 1yuy_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYSWTGAL ITPCSPEEEK LPINPLSNSL LRYHNKVYCT TSKSASLRAK DATA SEQUENCE KVTFDRMQVL DAYYDSVLKD IKLAASKVSA RLLTLEEACQ LTPPHSARSK DATA SEQUENCE YGFGAKEVRS LSGRAVNHIK SVWKDLLEDS QTPIPTTIMA KNEVFCVDXX DATA SEQUENCE XXXKKAARLI VYPDLGVRVC EKMALYDVTQ KLPQAVMGAS YGFQYSPAQR DATA SEQUENCE VEFLLKAWAE KKDPMGFSYD TRCFDSTVTE RDIRTEESIY QACSLPEEAR DATA SEQUENCE TAIHSLTERL YVGGPMFNSK GQSCGYRRCR ASGVLTTSMG NTITCYVKAL DATA SEQUENCE AACKAAGIVA PTMLVCGDDL VVISESQGTE EDERNLRAFT EAMTRYSAPP DATA SEQUENCE GDPPRPEYDL ELITSCSSNV SVALGPQGRR RYYLTRDPTT PIARAAWETV DATA SEQUENCE RHSPVNSWLG NIIQYAPTIW VRMVLMTHFF SILMAQDTLD QNLNFEMYGS DATA SEQUENCE VYSVSPLDLP AIIERLHGLD AFSLHTYTPH ELTRVASALR KLGAPPLRAW DATA SEQUENCE KSRARAVRAS LISRGGRAAV CGRYLFNWAV KTKLKLTPLP EARLLDLSSW DATA SEQUENCE FTVGAGGGDI YHS 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.562 174.600 -0.063 0.000 1.055 1 S CA 0.000 58.172 58.200 -0.046 0.000 1.107 1 S CB 0.000 63.188 63.200 -0.021 0.000 0.593 2 M N 2.602 122.157 119.600 -0.075 0.000 2.211 2 M HA 0.342 4.822 4.480 0.000 0.000 0.356 2 M C 1.735 177.916 176.300 -0.199 0.000 1.216 2 M CA -0.102 55.139 55.300 -0.098 0.000 1.134 2 M CB 0.646 33.216 32.600 -0.049 0.000 1.564 2 M HN 0.313 nan 8.290 nan 0.000 0.463 3 S N 2.856 118.362 115.700 -0.323 0.000 2.382 3 S HA -0.081 4.389 4.470 0.000 0.000 0.228 3 S C 0.157 174.353 174.600 -0.673 0.000 1.027 3 S CA 0.975 58.860 58.200 -0.526 0.000 0.991 3 S CB -0.184 62.610 63.200 -0.676 0.000 0.823 3 S HN 0.654 nan 8.310 nan 0.000 0.469 4 Y N -0.352 119.809 120.300 -0.231 0.000 2.597 4 Y HA 0.646 5.196 4.550 0.000 0.000 0.340 4 Y C -0.283 175.365 175.900 -0.420 0.000 1.097 4 Y CA -1.047 56.816 58.100 -0.395 0.000 1.037 4 Y CB 2.078 40.193 38.460 -0.576 0.000 1.305 4 Y HN -0.058 nan 8.280 nan 0.000 0.463 5 S N 0.653 116.104 115.700 -0.416 0.000 2.536 5 S HA 0.573 5.043 4.470 0.000 0.000 0.287 5 S C -1.884 172.394 174.600 -0.537 0.000 1.101 5 S CA -0.847 57.177 58.200 -0.293 0.000 0.950 5 S CB 0.926 64.048 63.200 -0.130 0.000 1.056 5 S HN 0.517 nan 8.310 nan 0.000 0.481 6 W N 0.744 122.069 121.300 0.041 0.000 2.736 6 W HA 0.377 5.037 4.660 0.000 0.000 0.335 6 W C 1.408 177.925 176.519 -0.004 0.000 1.059 6 W CA -0.812 56.539 57.345 0.009 0.000 1.226 6 W CB 1.065 30.520 29.460 -0.008 0.000 1.416 6 W HN 0.766 nan 8.180 nan 0.000 0.505 7 T N -2.038 112.640 114.554 0.206 0.000 3.014 7 T HA 0.283 4.633 4.350 0.000 0.000 0.263 7 T C 1.446 176.212 174.700 0.110 0.000 1.078 7 T CA 1.157 63.322 62.100 0.109 0.000 1.135 7 T CB -0.097 68.804 68.868 0.055 0.000 0.895 7 T HN 1.222 nan 8.240 nan 0.000 0.480 8 G N 1.086 109.970 108.800 0.140 0.000 2.284 8 G HA2 0.082 4.042 3.960 0.000 0.000 0.201 8 G HA3 0.082 4.042 3.960 0.000 0.000 0.201 8 G C 0.358 175.288 174.900 0.049 0.000 0.998 8 G CA -0.142 45.003 45.100 0.075 0.000 0.651 8 G HN 1.069 nan 8.290 nan 0.000 0.489 9 A N 1.004 123.865 122.820 0.068 0.000 2.498 9 A HA 0.628 4.948 4.320 0.000 0.000 0.239 9 A C 0.803 178.409 177.584 0.037 0.000 1.068 9 A CA 0.261 52.329 52.037 0.051 0.000 0.766 9 A CB 0.160 19.196 19.000 0.060 0.000 1.003 9 A HN 0.865 nan 8.150 nan 0.000 0.497 10 L N 1.658 122.891 121.223 0.015 0.000 2.453 10 L HA 0.276 4.616 4.340 0.000 0.000 0.261 10 L C 0.057 176.931 176.870 0.006 0.000 1.179 10 L CA -0.258 54.575 54.840 -0.011 0.000 0.813 10 L CB 0.651 42.703 42.059 -0.012 0.000 1.110 10 L HN 0.559 nan 8.230 nan 0.000 0.466 11 I N 1.539 122.096 120.570 -0.020 0.000 2.322 11 I HA 0.102 4.272 4.170 0.000 0.000 0.292 11 I C 0.434 176.561 176.117 0.016 0.000 1.060 11 I CA -0.050 61.254 61.300 0.007 0.000 1.309 11 I CB 0.818 38.805 38.000 -0.021 0.000 1.415 11 I HN 0.643 nan 8.210 nan 0.000 0.492 12 T N 4.987 119.562 114.554 0.036 0.000 2.929 12 T HA 0.580 4.930 4.350 0.000 0.000 0.284 12 T C -2.461 172.268 174.700 0.049 0.000 1.014 12 T CA -2.067 60.056 62.100 0.038 0.000 1.051 12 T CB 1.790 70.681 68.868 0.038 0.000 1.028 12 T HN 0.259 nan 8.240 nan 0.000 0.485 13 P HA 0.270 nan 4.420 nan 0.000 0.276 13 P C -0.027 177.306 177.300 0.055 0.000 1.244 13 P CA -0.668 62.465 63.100 0.055 0.000 0.801 13 P CB 1.156 32.888 31.700 0.053 0.000 1.006 14 C N 1.010 120.346 119.300 0.061 0.000 2.855 14 C HA 0.338 4.798 4.460 0.000 0.000 0.279 14 C C 0.272 175.292 174.990 0.050 0.000 1.270 14 C CA 0.499 59.550 59.018 0.056 0.000 1.702 14 C CB -1.945 25.834 27.740 0.065 0.000 1.949 14 C HN 0.759 nan 8.230 nan 0.000 0.618 15 S N -0.924 114.808 115.700 0.053 0.000 2.714 15 S HA 0.332 4.802 4.470 0.000 0.000 0.284 15 S C -3.331 171.305 174.600 0.060 0.000 1.019 15 S CA -0.878 57.353 58.200 0.053 0.000 0.856 15 S CB -0.201 63.033 63.200 0.056 0.000 1.075 15 S HN 0.001 nan 8.310 nan 0.000 0.455 16 P HA 0.238 nan 4.420 nan 0.000 0.264 16 P C -0.675 176.676 177.300 0.084 0.000 1.179 16 P CA 0.403 63.543 63.100 0.065 0.000 0.763 16 P CB 0.192 31.928 31.700 0.060 0.000 0.806 17 E N 0.838 121.094 120.200 0.092 0.000 2.212 17 E HA 0.295 4.645 4.350 0.000 0.000 0.268 17 E C -0.626 176.065 176.600 0.151 0.000 0.902 17 E CA -0.794 55.677 56.400 0.120 0.000 0.779 17 E CB 1.806 31.567 29.700 0.102 0.000 1.172 17 E HN 0.397 nan 8.360 nan 0.000 0.409 18 E N 2.423 122.755 120.200 0.222 0.000 2.156 18 E HA 0.055 4.405 4.350 0.000 0.000 0.279 18 E C 0.158 176.987 176.600 0.382 0.000 0.965 18 E CA -0.126 56.442 56.400 0.281 0.000 0.789 18 E CB 0.737 30.623 29.700 0.310 0.000 1.098 18 E HN 0.663 nan 8.360 nan 0.000 0.397 19 E N 3.134 123.525 120.200 0.318 0.000 2.431 19 E HA 0.111 4.461 4.350 0.000 0.000 0.200 19 E C -0.332 176.528 176.600 0.434 0.000 0.995 19 E CA 0.037 56.634 56.400 0.328 0.000 0.915 19 E CB 0.407 30.236 29.700 0.216 0.000 0.930 19 E HN 0.096 nan 8.360 nan 0.000 0.496 20 K N 1.125 121.769 120.400 0.407 0.000 2.259 20 K HA 0.377 4.697 4.320 0.000 0.000 0.249 20 K C -0.972 175.792 176.600 0.275 0.000 0.942 20 K CA -0.906 55.605 56.287 0.375 0.000 0.816 20 K CB 2.226 34.866 32.500 0.234 0.000 1.155 20 K HN -0.047 nan 8.250 nan 0.000 0.428 21 L N 4.778 126.178 121.223 0.294 0.000 2.462 21 L HA 0.221 4.561 4.340 0.000 0.000 0.272 21 L C -2.151 174.661 176.870 -0.098 0.000 1.166 21 L CA -0.906 53.908 54.840 -0.042 0.000 0.880 21 L CB -0.044 42.131 42.059 0.193 0.000 1.142 21 L HN 0.548 nan 8.230 nan 0.000 0.473 22 P HA 0.116 nan 4.420 nan 0.000 0.272 22 P C -0.608 176.578 177.300 -0.191 0.000 1.230 22 P CA -0.171 62.811 63.100 -0.197 0.000 0.788 22 P CB 0.679 32.237 31.700 -0.236 0.000 0.949 23 I N 2.130 122.567 120.570 -0.221 0.000 2.308 23 I HA 0.210 4.380 4.170 0.000 0.000 0.293 23 I C 0.693 176.710 176.117 -0.167 0.000 1.078 23 I CA 0.168 61.295 61.300 -0.288 0.000 1.292 23 I CB -0.393 37.403 38.000 -0.340 0.000 1.423 23 I HN 0.405 nan 8.210 nan 0.000 0.493 24 N N 7.630 126.251 118.700 -0.131 0.000 2.287 24 N HA 0.383 5.123 4.740 0.000 0.000 0.289 24 N C -1.994 173.481 175.510 -0.058 0.000 1.066 24 N CA -1.436 51.563 53.050 -0.086 0.000 0.841 24 N CB 2.491 40.929 38.487 -0.082 0.000 1.599 24 N HN 0.120 nan 8.380 nan 0.000 0.476 25 P HA -0.148 nan 4.420 nan 0.000 0.218 25 P C 1.165 178.455 177.300 -0.015 0.000 1.148 25 P CA 1.041 64.122 63.100 -0.031 0.000 0.822 25 P CB 0.475 32.156 31.700 -0.032 0.000 0.784 26 L N -0.449 120.767 121.223 -0.012 0.000 2.056 26 L HA -0.102 4.238 4.340 0.000 0.000 0.207 26 L C 2.883 179.794 176.870 0.067 0.000 1.078 26 L CA 1.770 56.618 54.840 0.013 0.000 0.749 26 L CB -0.938 41.117 42.059 -0.006 0.000 0.901 26 L HN 0.090 nan 8.230 nan 0.000 0.433 27 S N -0.215 115.502 115.700 0.028 0.000 2.395 27 S HA -0.170 4.300 4.470 0.000 0.000 0.225 27 S C 1.820 176.431 174.600 0.019 0.000 1.027 27 S CA 1.075 59.289 58.200 0.022 0.000 0.965 27 S CB -0.295 62.898 63.200 -0.012 0.000 0.812 27 S HN 0.417 nan 8.310 nan 0.000 0.482 28 N N 0.921 119.626 118.700 0.008 0.000 2.289 28 N HA -0.104 4.636 4.740 0.000 0.000 0.184 28 N C 1.694 177.207 175.510 0.005 0.000 1.016 28 N CA 1.561 54.617 53.050 0.010 0.000 0.872 28 N CB -0.204 38.279 38.487 -0.008 0.000 0.973 28 N HN 0.632 nan 8.380 nan 0.000 0.433 29 S N -0.092 115.618 115.700 0.017 0.000 2.481 29 S HA -0.070 4.400 4.470 0.000 0.000 0.231 29 S C 1.828 176.460 174.600 0.053 0.000 0.996 29 S CA 0.202 58.403 58.200 0.002 0.000 0.942 29 S CB -0.024 63.184 63.200 0.015 0.000 0.768 29 S HN 0.258 nan 8.310 nan 0.000 0.520 30 L N 0.837 122.113 121.223 0.087 0.000 2.221 30 L HA 0.514 4.854 4.340 0.000 0.000 0.202 30 L C -0.124 176.809 176.870 0.105 0.000 1.074 30 L CA 0.850 55.766 54.840 0.127 0.000 0.795 30 L CB -0.191 41.726 42.059 -0.238 0.000 0.960 30 L HN 0.576 nan 8.230 nan 0.000 0.458 31 L N -4.108 117.131 121.223 0.028 0.000 2.565 31 L HA 0.518 4.858 4.340 0.000 0.000 0.261 31 L C 0.299 177.169 176.870 0.000 0.000 0.932 31 L CA -0.444 54.393 54.840 -0.005 0.000 0.878 31 L CB 1.610 43.675 42.059 0.009 0.000 1.333 31 L HN -0.104 nan 8.230 nan 0.000 0.409 32 R N 1.443 121.892 120.500 -0.085 0.000 2.140 32 R HA 0.213 4.553 4.340 0.000 0.000 0.213 32 R C -0.027 176.410 176.300 0.229 0.000 1.059 32 R CA 0.811 56.922 56.100 0.020 0.000 1.000 32 R CB -0.027 30.230 30.300 -0.072 0.000 0.910 32 R HN 0.657 nan 8.270 nan 0.000 0.455 33 Y N 2.975 123.318 120.300 0.073 0.000 2.889 33 Y HA -0.028 4.522 4.550 0.000 0.000 0.367 33 Y C 1.607 177.489 175.900 -0.029 0.000 1.197 33 Y CA -0.866 57.227 58.100 -0.013 0.000 1.993 33 Y CB -0.386 38.069 38.460 -0.008 0.000 2.112 33 Y HN 0.278 nan 8.280 nan 0.000 0.413 34 H N -1.026 118.163 119.070 0.198 0.000 2.457 34 H HA -0.172 4.384 4.556 0.000 0.000 0.297 34 H C 0.874 176.299 175.328 0.162 0.000 1.092 34 H CA 1.170 57.306 56.048 0.147 0.000 1.309 34 H CB -0.076 29.742 29.762 0.092 0.000 1.382 34 H HN 0.454 nan 8.280 nan 0.000 0.535 35 N N 1.305 119.801 118.700 -0.341 0.000 2.453 35 N HA -0.063 4.677 4.740 0.000 0.000 0.183 35 N C 1.348 176.884 175.510 0.043 0.000 1.041 35 N CA 0.578 53.554 53.050 -0.122 0.000 0.900 35 N CB -0.003 38.351 38.487 -0.222 0.000 0.961 35 N HN 0.557 nan 8.380 nan 0.000 0.443 36 K N 0.206 120.659 120.400 0.088 0.000 2.400 36 K HA 0.138 4.458 4.320 0.000 0.000 0.194 36 K C 0.032 176.789 176.600 0.262 0.000 1.033 36 K CA 0.138 56.520 56.287 0.157 0.000 1.021 36 K CB 0.832 33.422 32.500 0.150 0.000 0.808 36 K HN -0.095 nan 8.250 nan 0.000 0.505 37 V N 2.813 122.887 119.914 0.268 0.000 2.370 37 V HA 0.214 4.334 4.120 0.000 0.000 0.279 37 V C -0.640 175.692 176.094 0.396 0.000 1.029 37 V CA -0.817 61.654 62.300 0.286 0.000 0.870 37 V CB 0.130 32.117 31.823 0.274 0.000 0.984 37 V HN 0.153 nan 8.190 nan 0.000 0.451 38 Y N 2.819 123.250 120.300 0.219 0.000 2.605 38 Y HA 0.841 5.391 4.550 0.000 0.000 0.343 38 Y C -0.545 175.377 175.900 0.037 0.000 1.036 38 Y CA -1.718 56.504 58.100 0.203 0.000 1.065 38 Y CB 1.420 39.971 38.460 0.151 0.000 1.288 38 Y HN 0.574 nan 8.280 nan 0.000 0.481 39 C N 2.740 122.047 119.300 0.012 0.000 2.455 39 C HA 0.727 5.187 4.460 0.000 0.000 0.320 39 C C 0.195 175.229 174.990 0.074 0.000 1.226 39 C CA 0.069 58.916 59.018 -0.285 0.000 1.569 39 C CB 0.292 27.610 27.740 -0.704 0.000 2.200 39 C HN 1.102 nan 8.230 nan 0.000 0.491 40 T N 3.171 117.779 114.554 0.090 0.000 2.918 40 T HA 0.586 4.936 4.350 0.000 0.000 0.302 40 T C 0.218 174.974 174.700 0.093 0.000 1.045 40 T CA 0.249 62.453 62.100 0.173 0.000 1.114 40 T CB 1.016 70.001 68.868 0.196 0.000 0.965 40 T HN 1.111 nan 8.240 nan 0.000 0.540 41 T N -1.389 113.223 114.554 0.097 0.000 2.778 41 T HA 0.445 4.796 4.350 0.000 0.000 0.293 41 T C 1.250 175.984 174.700 0.057 0.000 1.144 41 T CA -0.502 61.642 62.100 0.074 0.000 1.010 41 T CB 1.010 69.929 68.868 0.085 0.000 1.325 41 T HN 0.356 nan 8.240 nan 0.000 0.515 42 S N 0.003 115.732 115.700 0.049 0.000 2.420 42 S HA -0.103 4.367 4.470 0.000 0.000 0.237 42 S C 1.782 176.391 174.600 0.015 0.000 1.023 42 S CA 1.252 59.470 58.200 0.031 0.000 0.991 42 S CB -0.509 62.711 63.200 0.033 0.000 0.792 42 S HN 0.656 nan 8.310 nan 0.000 0.488 43 K N 1.259 121.673 120.400 0.024 0.000 2.211 43 K HA -0.076 4.244 4.320 0.000 0.000 0.204 43 K C 2.014 178.611 176.600 -0.005 0.000 1.047 43 K CA 1.541 57.835 56.287 0.011 0.000 0.935 43 K CB -0.174 32.340 32.500 0.023 0.000 0.728 43 K HN 0.519 nan 8.250 nan 0.000 0.452 44 S N -0.793 114.907 115.700 0.000 0.000 2.540 44 S HA 0.247 4.717 4.470 0.000 0.000 0.218 44 S C 1.805 176.383 174.600 -0.037 0.000 0.977 44 S CA 0.151 58.342 58.200 -0.016 0.000 0.918 44 S CB 0.700 63.901 63.200 0.002 0.000 0.806 44 S HN 0.218 nan 8.310 nan 0.000 0.496 45 A N 2.376 125.171 122.820 -0.042 0.000 1.948 45 A HA -0.071 4.250 4.320 0.000 0.000 0.220 45 A C 2.358 179.849 177.584 -0.155 0.000 1.177 45 A CA 2.073 54.064 52.037 -0.076 0.000 0.636 45 A CB -1.207 17.754 19.000 -0.064 0.000 0.815 45 A HN 0.557 nan 8.150 nan 0.000 0.449 46 S N -0.284 115.320 115.700 -0.159 0.000 2.383 46 S HA -0.045 4.425 4.470 0.000 0.000 0.227 46 S C 1.783 176.269 174.600 -0.190 0.000 1.026 46 S CA 1.293 59.359 58.200 -0.223 0.000 0.981 46 S CB -0.407 62.691 63.200 -0.170 0.000 0.818 46 S HN 0.534 nan 8.310 nan 0.000 0.472 47 L N 0.932 122.085 121.223 -0.117 0.000 2.046 47 L HA -0.102 4.238 4.340 0.000 0.000 0.208 47 L C 2.703 179.529 176.870 -0.074 0.000 1.077 47 L CA 1.207 55.997 54.840 -0.083 0.000 0.747 47 L CB -0.428 41.597 42.059 -0.055 0.000 0.896 47 L HN 0.208 nan 8.230 nan 0.000 0.432 48 R N 0.946 121.400 120.500 -0.076 0.000 2.066 48 R HA -0.093 4.247 4.340 0.000 0.000 0.232 48 R C 2.242 178.498 176.300 -0.073 0.000 1.131 48 R CA 1.718 57.791 56.100 -0.045 0.000 0.955 48 R CB -0.822 29.462 30.300 -0.027 0.000 0.851 48 R HN 0.257 nan 8.270 nan 0.000 0.432 49 A N 0.682 123.375 122.820 -0.213 0.000 1.917 49 A HA -0.227 4.093 4.320 0.000 0.000 0.219 49 A C 2.075 179.557 177.584 -0.170 0.000 1.182 49 A CA 2.165 53.979 52.037 -0.371 0.000 0.633 49 A CB -0.545 17.881 19.000 -0.956 0.000 0.819 49 A HN 0.306 nan 8.150 nan 0.000 0.448 50 K N -0.006 120.307 120.400 -0.145 0.000 2.097 50 K HA -0.044 4.276 4.320 0.000 0.000 0.205 50 K C 1.954 178.611 176.600 0.094 0.000 1.050 50 K CA 1.627 57.902 56.287 -0.020 0.000 0.938 50 K CB -0.175 32.300 32.500 -0.042 0.000 0.718 50 K HN 0.595 nan 8.250 nan 0.000 0.442 51 K N -0.086 120.362 120.400 0.081 0.000 2.057 51 K HA -0.086 4.234 4.320 0.000 0.000 0.207 51 K C 1.674 178.450 176.600 0.294 0.000 1.049 51 K CA 1.621 57.992 56.287 0.140 0.000 0.931 51 K CB -0.147 32.407 32.500 0.091 0.000 0.714 51 K HN 0.147 nan 8.250 nan 0.000 0.440 52 V N -1.283 118.806 119.914 0.292 0.000 3.623 52 V HA 0.057 4.177 4.120 0.000 0.000 0.271 52 V C 0.291 176.607 176.094 0.369 0.000 1.248 52 V CA 0.206 62.753 62.300 0.413 0.000 1.156 52 V CB -0.199 31.823 31.823 0.332 0.000 0.870 52 V HN -0.021 nan 8.190 nan 0.000 0.453 53 T N 4.382 119.167 114.554 0.386 0.000 2.781 53 T HA 0.714 5.064 4.350 0.000 0.000 0.305 53 T C -0.747 174.134 174.700 0.303 0.000 1.001 53 T CA -0.036 62.261 62.100 0.328 0.000 0.950 53 T CB 0.114 69.269 68.868 0.477 0.000 0.955 53 T HN 0.637 nan 8.240 nan 0.000 0.471 54 F N 0.018 120.072 119.950 0.173 0.000 2.741 54 F HA 0.614 5.141 4.527 0.000 0.000 0.311 54 F C -1.019 174.818 175.800 0.063 0.000 1.149 54 F CA -1.735 56.326 58.000 0.101 0.000 0.930 54 F CB 0.822 39.870 39.000 0.081 0.000 1.312 54 F HN 0.290 nan 8.300 nan 0.000 0.450 55 D N 0.762 121.334 120.400 0.287 0.000 2.304 55 D HA 0.461 5.101 4.640 0.000 0.000 0.250 55 D C -0.874 175.574 176.300 0.246 0.000 1.107 55 D CA -0.057 54.038 54.000 0.159 0.000 0.885 55 D CB 0.850 41.717 40.800 0.112 0.000 1.192 55 D HN 0.576 nan 8.370 nan 0.000 0.436 56 R N 2.426 122.999 120.500 0.121 0.000 2.295 56 R HA 0.423 4.763 4.340 0.000 0.000 0.324 56 R C -0.704 175.632 176.300 0.061 0.000 0.968 56 R CA -0.824 55.354 56.100 0.131 0.000 0.837 56 R CB 1.238 31.576 30.300 0.063 0.000 1.133 56 R HN 0.525 nan 8.270 nan 0.000 0.450 57 M N 1.546 121.180 119.600 0.057 0.000 2.101 57 M HA 0.399 4.880 4.480 0.000 0.000 0.340 57 M C -1.090 175.215 176.300 0.008 0.000 1.057 57 M CA -0.010 55.303 55.300 0.022 0.000 0.984 57 M CB 1.678 34.288 32.600 0.017 0.000 1.560 57 M HN 0.487 nan 8.290 nan 0.000 0.435 58 Q N 3.367 123.163 119.800 -0.006 0.000 2.340 58 Q HA 0.787 5.127 4.340 0.000 0.000 0.268 58 Q C -2.083 173.901 176.000 -0.027 0.000 1.031 58 Q CA -0.821 54.972 55.803 -0.016 0.000 0.804 58 Q CB 2.379 31.098 28.738 -0.031 0.000 1.286 58 Q HN 0.838 nan 8.270 nan 0.000 0.448 59 V N 6.233 126.136 119.914 -0.018 0.000 2.569 59 V HA 0.480 4.600 4.120 0.000 0.000 0.301 59 V C -1.225 174.884 176.094 0.025 0.000 1.044 59 V CA -0.508 61.782 62.300 -0.017 0.000 0.874 59 V CB 1.516 33.328 31.823 -0.020 0.000 1.002 59 V HN 0.828 nan 8.190 nan 0.000 0.424 60 L N 5.418 126.628 121.223 -0.022 0.000 2.400 60 L HA 0.784 5.124 4.340 0.000 0.000 0.264 60 L C -0.352 176.579 176.870 0.102 0.000 1.061 60 L CA -0.609 54.222 54.840 -0.014 0.000 0.799 60 L CB 1.692 43.557 42.059 -0.325 0.000 1.240 60 L HN 0.840 nan 8.230 nan 0.000 0.461 61 D N -0.711 119.820 120.400 0.217 0.000 2.798 61 D HA 0.372 5.012 4.640 0.000 0.000 0.308 61 D C 0.310 176.713 176.300 0.170 0.000 1.187 61 D CA -0.253 53.862 54.000 0.192 0.000 1.033 61 D CB 1.043 41.999 40.800 0.259 0.000 1.445 61 D HN 0.413 nan 8.370 nan 0.000 0.550 62 A N -0.946 121.904 122.820 0.049 0.000 1.933 62 A HA -0.130 4.190 4.320 0.000 0.000 0.218 62 A C 1.905 179.454 177.584 -0.059 0.000 1.175 62 A CA 1.299 53.298 52.037 -0.064 0.000 0.628 62 A CB -1.329 17.544 19.000 -0.212 0.000 0.814 62 A HN 0.570 nan 8.150 nan 0.000 0.444 63 Y N -2.141 118.228 120.300 0.115 0.000 2.145 63 Y HA -0.255 4.295 4.550 0.000 0.000 0.286 63 Y C 2.394 178.336 175.900 0.070 0.000 1.145 63 Y CA 1.952 60.111 58.100 0.099 0.000 1.148 63 Y CB -0.768 37.778 38.460 0.143 0.000 0.981 63 Y HN 0.484 nan 8.280 nan 0.000 0.507 64 Y N 1.346 121.720 120.300 0.124 0.000 2.145 64 Y HA -0.264 4.287 4.550 0.000 0.000 0.286 64 Y C 1.937 177.790 175.900 -0.079 0.000 1.145 64 Y CA 1.785 59.812 58.100 -0.121 0.000 1.148 64 Y CB -0.532 37.724 38.460 -0.341 0.000 0.981 64 Y HN 0.092 nan 8.280 nan 0.000 0.507 65 D N -0.689 119.821 120.400 0.183 0.000 2.123 65 D HA -0.211 4.429 4.640 0.000 0.000 0.196 65 D C 2.431 178.709 176.300 -0.037 0.000 0.992 65 D CA 1.615 55.664 54.000 0.082 0.000 0.833 65 D CB -0.608 40.242 40.800 0.084 0.000 0.954 65 D HN 0.377 nan 8.370 nan 0.000 0.455 66 S N -0.266 115.415 115.700 -0.032 0.000 2.356 66 S HA -0.123 4.347 4.470 0.000 0.000 0.223 66 S C 2.157 176.715 174.600 -0.071 0.000 1.032 66 S CA 1.074 59.249 58.200 -0.042 0.000 1.005 66 S CB -0.301 62.886 63.200 -0.023 0.000 0.867 66 S HN 0.052 nan 8.310 nan 0.000 0.449 67 V N 2.095 121.941 119.914 -0.113 0.000 2.343 67 V HA -0.127 3.993 4.120 0.000 0.000 0.247 67 V C 2.462 178.445 176.094 -0.185 0.000 1.051 67 V CA 1.819 64.028 62.300 -0.151 0.000 1.036 67 V CB -0.794 30.893 31.823 -0.227 0.000 0.654 67 V HN 0.502 nan 8.190 nan 0.000 0.451 68 L N 0.495 121.537 121.223 -0.301 0.000 2.079 68 L HA -0.186 4.155 4.340 0.000 0.000 0.210 68 L C 2.429 179.229 176.870 -0.117 0.000 1.081 68 L CA 2.216 56.900 54.840 -0.259 0.000 0.752 68 L CB -0.823 41.033 42.059 -0.337 0.000 0.896 68 L HN 0.300 nan 8.230 nan 0.000 0.433 69 K N -0.779 119.569 120.400 -0.087 0.000 2.032 69 K HA -0.213 4.107 4.320 0.000 0.000 0.209 69 K C 1.722 178.303 176.600 -0.031 0.000 1.048 69 K CA 1.880 58.141 56.287 -0.045 0.000 0.927 69 K CB -0.185 32.296 32.500 -0.033 0.000 0.712 69 K HN 0.364 nan 8.250 nan 0.000 0.441 70 D N 0.763 121.144 120.400 -0.030 0.000 2.117 70 D HA -0.144 4.496 4.640 0.000 0.000 0.197 70 D C 1.946 178.249 176.300 0.004 0.000 0.987 70 D CA 1.109 55.105 54.000 -0.006 0.000 0.829 70 D CB -0.128 40.674 40.800 0.005 0.000 0.961 70 D HN 0.312 nan 8.370 nan 0.000 0.460 71 I N 0.759 121.327 120.570 -0.002 0.000 2.226 71 I HA -0.243 3.927 4.170 0.000 0.000 0.245 71 I C 2.248 178.363 176.117 -0.003 0.000 1.100 71 I CA 1.105 62.413 61.300 0.014 0.000 1.374 71 I CB -0.088 37.920 38.000 0.013 0.000 1.057 71 I HN -0.071 nan 8.210 nan 0.000 0.413 72 K N 0.323 120.713 120.400 -0.016 0.000 2.097 72 K HA -0.159 4.161 4.320 0.000 0.000 0.206 72 K C 2.104 178.702 176.600 -0.004 0.000 1.049 72 K CA 1.001 57.282 56.287 -0.011 0.000 0.933 72 K CB -0.168 32.322 32.500 -0.017 0.000 0.717 72 K HN 0.243 nan 8.250 nan 0.000 0.442 73 L N 1.016 122.237 121.223 -0.004 0.000 2.056 73 L HA -0.102 4.238 4.340 0.000 0.000 0.207 73 L C 2.186 179.057 176.870 0.002 0.000 1.078 73 L CA 1.815 56.656 54.840 0.000 0.000 0.749 73 L CB -1.024 41.036 42.059 0.001 0.000 0.901 73 L HN 0.122 nan 8.230 nan 0.000 0.433 74 A N -0.254 122.567 122.820 0.003 0.000 1.930 74 A HA -0.086 4.234 4.320 0.000 0.000 0.217 74 A C 2.433 180.012 177.584 -0.007 0.000 1.175 74 A CA 1.540 53.577 52.037 -0.001 0.000 0.627 74 A CB -0.688 18.312 19.000 0.000 0.000 0.815 74 A HN 0.536 nan 8.150 nan 0.000 0.443 75 A N 0.446 123.263 122.820 -0.004 0.000 2.015 75 A HA -0.055 4.265 4.320 0.000 0.000 0.219 75 A C 2.372 179.960 177.584 0.005 0.000 1.163 75 A CA 1.976 54.013 52.037 0.001 0.000 0.646 75 A CB -0.886 18.123 19.000 0.014 0.000 0.806 75 A HN 1.007 nan 8.150 nan 0.000 0.448 76 S N -0.377 115.326 115.700 0.005 0.000 2.507 76 S HA -0.078 4.392 4.470 0.000 0.000 0.235 76 S C 1.389 175.991 174.600 0.004 0.000 0.988 76 S CA 1.070 59.274 58.200 0.007 0.000 0.944 76 S CB -0.155 63.048 63.200 0.005 0.000 0.762 76 S HN 0.443 nan 8.310 nan 0.000 0.526 77 K N 1.182 121.582 120.400 -0.001 0.000 2.459 77 K HA 0.301 4.621 4.320 0.000 0.000 0.193 77 K C 0.166 176.763 176.600 -0.006 0.000 1.030 77 K CA 0.038 56.324 56.287 -0.003 0.000 1.026 77 K CB -0.253 32.244 32.500 -0.004 0.000 0.809 77 K HN 0.345 nan 8.250 nan 0.000 0.504 78 V N 2.338 122.249 119.914 -0.006 0.000 2.509 78 V HA 0.174 4.294 4.120 0.000 0.000 0.284 78 V C 0.230 176.322 176.094 -0.003 0.000 1.047 78 V CA -0.679 61.615 62.300 -0.011 0.000 0.952 78 V CB 1.494 33.306 31.823 -0.018 0.000 0.988 78 V HN 0.229 nan 8.190 nan 0.000 0.469 79 S N 3.428 119.125 115.700 -0.005 0.000 2.561 79 S HA 0.915 5.385 4.470 0.000 0.000 0.303 79 S C -0.583 174.016 174.600 -0.002 0.000 1.110 79 S CA -0.370 57.831 58.200 0.002 0.000 1.034 79 S CB 1.880 65.082 63.200 0.004 0.000 1.010 79 S HN 1.261 nan 8.310 nan 0.000 0.482 80 A N 3.006 125.828 122.820 0.003 0.000 2.469 80 A HA 0.947 5.267 4.320 0.000 0.000 0.299 80 A C -0.272 177.321 177.584 0.015 0.000 1.098 80 A CA -1.284 50.753 52.037 0.001 0.000 0.737 80 A CB 1.473 20.465 19.000 -0.013 0.000 1.312 80 A HN 1.100 nan 8.150 nan 0.000 0.414 81 R N 0.286 120.797 120.500 0.018 0.000 2.902 81 R HA 0.802 5.142 4.340 0.000 0.000 0.258 81 R C -1.405 174.914 176.300 0.033 0.000 1.071 81 R CA -0.786 55.329 56.100 0.025 0.000 1.024 81 R CB 0.703 31.013 30.300 0.017 0.000 1.184 81 R HN 0.415 nan 8.270 nan 0.000 0.492 82 L N 1.790 123.031 121.223 0.029 0.000 2.380 82 L HA 0.252 4.592 4.340 0.000 0.000 0.273 82 L C -0.453 176.403 176.870 -0.024 0.000 1.138 82 L CA -0.433 54.418 54.840 0.017 0.000 0.832 82 L CB 0.914 42.978 42.059 0.009 0.000 1.124 82 L HN 0.555 nan 8.230 nan 0.000 0.454 83 L N 2.953 124.155 121.223 -0.034 0.000 2.395 83 L HA 0.332 4.672 4.340 0.000 0.000 0.269 83 L C 0.746 177.536 176.870 -0.134 0.000 1.133 83 L CA 0.503 55.314 54.840 -0.049 0.000 0.812 83 L CB 1.344 43.392 42.059 -0.017 0.000 1.125 83 L HN 0.690 nan 8.230 nan 0.000 0.452 84 T N 2.047 116.527 114.554 -0.123 0.000 2.828 84 T HA 0.138 4.488 4.350 0.000 0.000 0.290 84 T C 1.313 175.903 174.700 -0.183 0.000 1.019 84 T CA -0.169 61.836 62.100 -0.158 0.000 1.031 84 T CB 0.379 69.178 68.868 -0.116 0.000 1.001 84 T HN 0.616 nan 8.240 nan 0.000 0.531 85 L N 2.098 123.197 121.223 -0.208 0.000 2.042 85 L HA -0.114 4.226 4.340 0.000 0.000 0.210 85 L C 2.394 179.175 176.870 -0.148 0.000 1.076 85 L CA 1.810 56.533 54.840 -0.195 0.000 0.749 85 L CB -0.247 41.695 42.059 -0.194 0.000 0.893 85 L HN 0.751 nan 8.230 nan 0.000 0.432 86 E N 0.079 120.201 120.200 -0.129 0.000 2.051 86 E HA -0.249 4.101 4.350 0.000 0.000 0.192 86 E C 2.019 178.549 176.600 -0.117 0.000 0.991 86 E CA 1.634 57.967 56.400 -0.111 0.000 0.799 86 E CB -0.138 29.507 29.700 -0.093 0.000 0.748 86 E HN 0.544 nan 8.360 nan 0.000 0.449 87 E N 0.388 120.515 120.200 -0.122 0.000 2.077 87 E HA -0.183 4.168 4.350 0.000 0.000 0.193 87 E C 2.093 178.583 176.600 -0.183 0.000 0.989 87 E CA 0.987 57.303 56.400 -0.139 0.000 0.800 87 E CB -0.201 29.428 29.700 -0.117 0.000 0.746 87 E HN 0.290 nan 8.360 nan 0.000 0.452 88 A N 0.747 123.466 122.820 -0.167 0.000 1.933 88 A HA -0.197 4.123 4.320 0.000 0.000 0.218 88 A C 2.395 179.890 177.584 -0.148 0.000 1.175 88 A CA 1.213 53.150 52.037 -0.167 0.000 0.628 88 A CB -0.799 18.125 19.000 -0.128 0.000 0.814 88 A HN 0.364 nan 8.150 nan 0.000 0.444 89 C N -0.888 118.336 119.300 -0.127 0.000 2.440 89 C HA -0.059 4.401 4.460 0.000 0.000 0.278 89 C C 2.673 177.594 174.990 -0.115 0.000 1.295 89 C CA 0.997 59.952 59.018 -0.105 0.000 1.738 89 C CB -0.975 26.706 27.740 -0.098 0.000 1.987 89 C HN 0.582 nan 8.230 nan 0.000 0.492 90 Q N 0.435 120.157 119.800 -0.130 0.000 2.369 90 Q HA 0.100 4.440 4.340 0.000 0.000 0.206 90 Q C 1.847 177.755 176.000 -0.152 0.000 0.963 90 Q CA 0.868 56.599 55.803 -0.120 0.000 0.894 90 Q CB -0.356 28.313 28.738 -0.114 0.000 0.965 90 Q HN 0.682 nan 8.270 nan 0.000 0.475 91 L N 0.186 121.274 121.223 -0.225 0.000 2.558 91 L HA 0.052 4.392 4.340 0.000 0.000 0.225 91 L C 0.309 177.075 176.870 -0.172 0.000 1.128 91 L CA 0.132 54.791 54.840 -0.301 0.000 0.868 91 L CB 0.160 41.938 42.059 -0.468 0.000 1.006 91 L HN -0.078 nan 8.230 nan 0.000 0.454 92 T N 3.023 117.499 114.554 -0.131 0.000 2.779 92 T HA 0.171 4.521 4.350 0.000 0.000 0.296 92 T C -2.264 172.323 174.700 -0.188 0.000 0.938 92 T CA -1.108 60.923 62.100 -0.116 0.000 1.119 92 T CB 0.719 69.533 68.868 -0.089 0.000 0.891 92 T HN -0.029 nan 8.240 nan 0.000 0.526 93 P HA 0.093 nan 4.420 nan 0.000 0.268 93 P C -1.813 175.229 177.300 -0.429 0.000 1.205 93 P CA -1.503 61.349 63.100 -0.414 0.000 0.771 93 P CB 0.479 32.069 31.700 -0.184 0.000 0.858 94 P HA -0.171 nan 4.420 nan 0.000 0.217 94 P C 0.579 177.604 177.300 -0.458 0.000 1.148 94 P CA 1.845 64.646 63.100 -0.498 0.000 0.828 94 P CB -0.239 31.130 31.700 -0.552 0.000 0.783 95 H N -1.284 117.672 119.070 -0.189 0.000 2.507 95 H HA 0.273 4.830 4.556 0.000 0.000 0.294 95 H C 0.638 175.903 175.328 -0.104 0.000 1.064 95 H CA -0.277 55.705 56.048 -0.110 0.000 1.138 95 H CB -0.217 29.500 29.762 -0.075 0.000 1.515 95 H HN 0.036 nan 8.280 nan 0.000 0.547 96 S N 1.241 116.904 115.700 -0.062 0.000 2.560 96 S HA 0.326 4.796 4.470 0.000 0.000 0.284 96 S C 0.699 175.263 174.600 -0.059 0.000 1.327 96 S CA -0.557 57.601 58.200 -0.070 0.000 1.055 96 S CB 0.130 63.283 63.200 -0.079 0.000 0.868 96 S HN 0.546 nan 8.310 nan 0.000 0.506 97 A N 5.210 127.976 122.820 -0.089 0.000 2.580 97 A HA 0.174 4.494 4.320 0.000 0.000 0.244 97 A C 0.793 178.354 177.584 -0.038 0.000 1.045 97 A CA 0.073 52.069 52.037 -0.068 0.000 0.761 97 A CB -0.216 18.704 19.000 -0.133 0.000 0.962 97 A HN 0.951 nan 8.150 nan 0.000 0.512 98 R N 2.424 122.900 120.500 -0.040 0.000 2.774 98 R HA 0.353 4.694 4.340 0.000 0.000 0.269 98 R C 0.349 176.561 176.300 -0.147 0.000 1.068 98 R CA 0.310 56.356 56.100 -0.089 0.000 1.180 98 R CB 0.332 30.581 30.300 -0.084 0.000 1.077 98 R HN 0.553 nan 8.270 nan 0.000 0.513 99 S N -0.730 114.764 115.700 -0.343 0.000 2.617 99 S HA 0.098 4.568 4.470 0.000 0.000 0.269 99 S C 0.710 175.088 174.600 -0.370 0.000 1.292 99 S CA -0.649 57.287 58.200 -0.440 0.000 1.010 99 S CB 0.850 63.399 63.200 -1.086 0.000 0.944 99 S HN 0.765 nan 8.310 nan 0.000 0.536 100 K N 1.394 121.586 120.400 -0.346 0.000 2.404 100 K HA 0.096 4.416 4.320 0.000 0.000 0.194 100 K C -0.178 176.101 176.600 -0.535 0.000 1.023 100 K CA 0.490 56.534 56.287 -0.404 0.000 1.094 100 K CB -0.124 32.111 32.500 -0.441 0.000 0.841 100 K HN 0.614 nan 8.250 nan 0.000 0.523 101 Y N 1.185 121.256 120.300 -0.382 0.000 2.645 101 Y HA 0.268 4.818 4.550 0.000 0.000 0.307 101 Y C 1.185 176.970 175.900 -0.191 0.000 1.151 101 Y CA 0.120 58.015 58.100 -0.342 0.000 1.291 101 Y CB 0.750 38.839 38.460 -0.618 0.000 1.135 101 Y HN 0.409 nan 8.280 nan 0.000 0.523 102 G N -0.057 108.683 108.800 -0.099 0.000 2.157 102 G HA2 -0.272 3.688 3.960 0.000 0.000 0.239 102 G HA3 -0.272 3.688 3.960 0.000 0.000 0.239 102 G C -0.164 174.818 174.900 0.136 0.000 0.982 102 G CA 0.183 45.303 45.100 0.033 0.000 0.650 102 G HN 0.397 nan 8.290 nan 0.000 0.527 103 F N -1.560 118.388 119.950 -0.004 0.000 2.662 103 F HA 0.880 5.407 4.527 0.000 0.000 0.312 103 F C 0.343 176.143 175.800 -0.000 0.000 1.113 103 F CA -0.986 57.013 58.000 -0.001 0.000 0.951 103 F CB 0.778 39.782 39.000 0.008 0.000 1.344 103 F HN 0.470 nan 8.300 nan 0.000 0.462 104 G N -0.431 108.479 108.800 0.183 0.000 3.108 104 G HA2 0.556 4.516 3.960 0.000 0.000 0.268 104 G HA3 0.556 4.516 3.960 0.000 0.000 0.268 104 G C 0.255 175.238 174.900 0.139 0.000 1.361 104 G CA -0.638 44.502 45.100 0.067 0.000 1.047 104 G HN 1.120 nan 8.290 nan 0.000 0.540 105 A N -0.396 122.440 122.820 0.028 0.000 1.940 105 A HA -0.051 4.269 4.320 0.000 0.000 0.219 105 A C 2.239 179.800 177.584 -0.038 0.000 1.176 105 A CA 2.252 54.280 52.037 -0.014 0.000 0.631 105 A CB -0.448 18.491 19.000 -0.102 0.000 0.814 105 A HN 0.511 nan 8.150 nan 0.000 0.446 106 K N 0.206 120.575 120.400 -0.052 0.000 2.032 106 K HA -0.211 4.109 4.320 0.000 0.000 0.209 106 K C 1.594 178.179 176.600 -0.025 0.000 1.048 106 K CA 2.148 58.398 56.287 -0.062 0.000 0.927 106 K CB -0.284 32.181 32.500 -0.059 0.000 0.712 106 K HN 0.433 nan 8.250 nan 0.000 0.441 107 E N 0.354 120.571 120.200 0.028 0.000 2.204 107 E HA -0.072 4.278 4.350 0.000 0.000 0.194 107 E C 1.971 178.551 176.600 -0.034 0.000 0.989 107 E CA 0.670 57.078 56.400 0.014 0.000 0.824 107 E CB -0.068 29.678 29.700 0.077 0.000 0.756 107 E HN 0.075 nan 8.360 nan 0.000 0.477 108 V N 0.804 120.726 119.914 0.013 0.000 2.255 108 V HA -0.220 3.900 4.120 0.000 0.000 0.243 108 V C 2.128 178.184 176.094 -0.062 0.000 1.038 108 V CA 1.759 64.042 62.300 -0.028 0.000 1.008 108 V CB -0.361 31.491 31.823 0.049 0.000 0.645 108 V HN 0.207 nan 8.190 nan 0.000 0.449 109 R N 0.967 121.429 120.500 -0.064 0.000 2.127 109 R HA -0.130 4.210 4.340 0.000 0.000 0.238 109 R C 2.263 178.521 176.300 -0.070 0.000 1.134 109 R CA 1.739 57.791 56.100 -0.080 0.000 0.975 109 R CB -0.540 29.698 30.300 -0.104 0.000 0.865 109 R HN 0.681 nan 8.270 nan 0.000 0.447 110 S N 0.253 115.915 115.700 -0.064 0.000 2.575 110 S HA 0.111 4.581 4.470 0.000 0.000 0.215 110 S C 0.907 175.468 174.600 -0.066 0.000 0.966 110 S CA -0.245 57.920 58.200 -0.058 0.000 0.911 110 S CB -0.124 63.048 63.200 -0.048 0.000 0.780 110 S HN 0.341 nan 8.310 nan 0.000 0.514 111 L N 1.917 123.090 121.223 -0.083 0.000 3.597 111 L HA -0.172 4.168 4.340 0.000 0.000 0.440 111 L C 0.542 177.350 176.870 -0.103 0.000 1.277 111 L CA 0.205 54.985 54.840 -0.100 0.000 0.852 111 L CB -2.811 39.196 42.059 -0.086 0.000 1.708 111 L HN 0.658 nan 8.230 nan 0.000 0.885 112 S N -0.978 114.655 115.700 -0.112 0.000 2.573 112 S HA 0.355 4.825 4.470 0.000 0.000 0.277 112 S C 1.603 176.127 174.600 -0.127 0.000 1.346 112 S CA -0.030 58.110 58.200 -0.100 0.000 1.034 112 S CB 1.695 64.844 63.200 -0.084 0.000 0.879 112 S HN 0.406 nan 8.310 nan 0.000 0.528 113 G N 1.742 110.488 108.800 -0.091 0.000 2.476 113 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 113 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 113 G C 1.443 176.277 174.900 -0.110 0.000 1.164 113 G CA 0.919 45.967 45.100 -0.086 0.000 0.768 113 G HN 0.825 nan 8.290 nan 0.000 0.560 114 R N 0.493 120.930 120.500 -0.105 0.000 2.080 114 R HA -0.058 4.282 4.340 0.000 0.000 0.236 114 R C 2.944 179.063 176.300 -0.302 0.000 1.137 114 R CA 1.705 57.742 56.100 -0.104 0.000 0.943 114 R CB -0.476 29.814 30.300 -0.017 0.000 0.846 114 R HN 0.301 nan 8.270 nan 0.000 0.431 115 A N 0.146 122.613 122.820 -0.589 0.000 1.883 115 A HA -0.134 4.186 4.320 0.000 0.000 0.217 115 A C 2.311 179.554 177.584 -0.569 0.000 1.186 115 A CA 1.812 53.141 52.037 -1.180 0.000 0.624 115 A CB -0.710 17.713 19.000 -0.961 0.000 0.822 115 A HN 0.253 nan 8.150 nan 0.000 0.444 116 V N 1.184 120.906 119.914 -0.320 0.000 2.343 116 V HA -0.273 3.847 4.120 0.000 0.000 0.247 116 V C 2.241 178.250 176.094 -0.141 0.000 1.051 116 V CA 2.139 64.322 62.300 -0.195 0.000 1.036 116 V CB -0.952 30.785 31.823 -0.144 0.000 0.654 116 V HN 0.578 nan 8.190 nan 0.000 0.451 117 N N -0.525 118.106 118.700 -0.114 0.000 2.244 117 N HA -0.175 4.565 4.740 0.000 0.000 0.183 117 N C 1.840 177.334 175.510 -0.027 0.000 1.016 117 N CA 1.631 54.646 53.050 -0.058 0.000 0.866 117 N CB -0.348 38.119 38.487 -0.033 0.000 0.980 117 N HN 0.691 nan 8.380 nan 0.000 0.430 118 H N 1.323 120.323 119.070 -0.116 0.000 2.333 118 H HA 0.161 4.717 4.556 0.000 0.000 0.302 118 H C 2.118 177.420 175.328 -0.044 0.000 1.075 118 H CA 1.121 57.131 56.048 -0.064 0.000 1.348 118 H CB -0.322 29.473 29.762 0.054 0.000 1.393 118 H HN 0.046 nan 8.280 nan 0.000 0.509 119 I N 0.448 120.927 120.570 -0.153 0.000 2.248 119 I HA -0.295 3.875 4.170 0.000 0.000 0.248 119 I C 2.501 178.558 176.117 -0.099 0.000 1.107 119 I CA 1.489 62.708 61.300 -0.135 0.000 1.373 119 I CB -0.308 37.648 38.000 -0.073 0.000 1.055 119 I HN 0.282 nan 8.210 nan 0.000 0.418 120 K N 0.580 120.928 120.400 -0.086 0.000 2.097 120 K HA -0.164 4.156 4.320 0.000 0.000 0.206 120 K C 2.352 178.957 176.600 0.007 0.000 1.049 120 K CA 1.866 58.139 56.287 -0.023 0.000 0.933 120 K CB -0.060 32.416 32.500 -0.039 0.000 0.717 120 K HN 0.427 nan 8.250 nan 0.000 0.442 121 S N 0.043 115.695 115.700 -0.080 0.000 2.406 121 S HA -0.071 4.399 4.470 0.000 0.000 0.228 121 S C 2.066 176.598 174.600 -0.113 0.000 1.020 121 S CA 0.838 58.987 58.200 -0.084 0.000 0.965 121 S CB -0.413 62.725 63.200 -0.102 0.000 0.798 121 S HN 0.006 nan 8.310 nan 0.000 0.488 122 V N 1.011 120.800 119.914 -0.207 0.000 2.343 122 V HA -0.141 3.979 4.120 0.000 0.000 0.247 122 V C 2.231 178.309 176.094 -0.026 0.000 1.051 122 V CA 1.849 64.049 62.300 -0.167 0.000 1.036 122 V CB -0.988 30.708 31.823 -0.212 0.000 0.654 122 V HN 0.719 nan 8.190 nan 0.000 0.451 123 W N 1.323 122.546 121.300 -0.129 0.000 2.379 123 W HA -0.207 4.453 4.660 0.000 0.000 0.307 123 W C 2.517 178.996 176.519 -0.066 0.000 1.200 123 W CA 2.195 59.491 57.345 -0.081 0.000 1.297 123 W CB -0.146 29.272 29.460 -0.070 0.000 1.140 123 W HN 0.236 nan 8.180 nan 0.000 0.507 124 K N 0.631 121.065 120.400 0.056 0.000 2.103 124 K HA -0.272 4.048 4.320 0.000 0.000 0.207 124 K C 1.707 178.236 176.600 -0.118 0.000 1.048 124 K CA 2.252 58.520 56.287 -0.031 0.000 0.930 124 K CB -0.578 31.936 32.500 0.022 0.000 0.716 124 K HN 0.010 nan 8.250 nan 0.000 0.444 125 D N 0.303 120.638 120.400 -0.109 0.000 2.144 125 D HA -0.131 4.509 4.640 0.000 0.000 0.200 125 D C 1.933 178.136 176.300 -0.162 0.000 0.978 125 D CA 0.876 54.809 54.000 -0.112 0.000 0.833 125 D CB 0.066 40.811 40.800 -0.092 0.000 0.961 125 D HN 0.230 nan 8.370 nan 0.000 0.470 126 L N -0.115 120.963 121.223 -0.243 0.000 2.083 126 L HA -0.114 4.226 4.340 0.000 0.000 0.209 126 L C 2.377 179.053 176.870 -0.323 0.000 1.083 126 L CA 0.614 55.269 54.840 -0.310 0.000 0.752 126 L CB -0.272 41.514 42.059 -0.456 0.000 0.899 126 L HN 0.220 nan 8.230 nan 0.000 0.433 127 L N -0.355 120.648 121.223 -0.367 0.000 2.156 127 L HA -0.148 4.192 4.340 0.000 0.000 0.208 127 L C 2.382 179.165 176.870 -0.145 0.000 1.095 127 L CA 1.102 55.779 54.840 -0.272 0.000 0.770 127 L CB -0.328 41.574 42.059 -0.262 0.000 0.914 127 L HN 0.424 nan 8.230 nan 0.000 0.439 128 E N -1.431 118.697 120.200 -0.121 0.000 2.460 128 E HA 0.008 4.358 4.350 0.000 0.000 0.200 128 E C 0.034 176.597 176.600 -0.063 0.000 1.011 128 E CA -0.047 56.309 56.400 -0.073 0.000 0.912 128 E CB 0.319 29.986 29.700 -0.055 0.000 0.953 128 E HN 0.110 nan 8.360 nan 0.000 0.494 129 D N 1.242 121.592 120.400 -0.082 0.000 2.620 129 D HA 0.090 4.730 4.640 0.000 0.000 0.252 129 D C -0.367 175.881 176.300 -0.087 0.000 1.207 129 D CA -0.621 53.338 54.000 -0.068 0.000 0.884 129 D CB 1.874 42.637 40.800 -0.061 0.000 1.262 129 D HN 0.019 nan 8.370 nan 0.000 0.552 130 S N 2.232 117.889 115.700 -0.071 0.000 2.601 130 S HA 0.188 4.658 4.470 0.000 0.000 0.244 130 S C 0.802 175.333 174.600 -0.115 0.000 1.001 130 S CA -0.250 57.888 58.200 -0.104 0.000 0.984 130 S CB 0.542 63.712 63.200 -0.051 0.000 0.842 130 S HN 0.483 nan 8.310 nan 0.000 0.474 131 Q N 0.697 120.451 119.800 -0.076 0.000 2.586 131 Q HA 0.170 4.510 4.340 0.000 0.000 0.243 131 Q C -0.373 175.603 176.000 -0.039 0.000 0.846 131 Q CA 0.365 56.135 55.803 -0.056 0.000 0.959 131 Q CB 0.309 29.030 28.738 -0.029 0.000 1.227 131 Q HN 0.446 nan 8.270 nan 0.000 0.611 132 T N 5.289 119.824 114.554 -0.031 0.000 2.758 132 T HA 0.063 4.413 4.350 0.000 0.000 0.281 132 T C -2.474 172.220 174.700 -0.009 0.000 0.963 132 T CA -0.624 61.470 62.100 -0.009 0.000 1.201 132 T CB 0.215 69.079 68.868 -0.006 0.000 0.906 132 T HN 0.083 nan 8.240 nan 0.000 0.528 133 P HA 0.119 nan 4.420 nan 0.000 0.264 133 P C -0.156 177.149 177.300 0.010 0.000 1.183 133 P CA -0.064 63.043 63.100 0.012 0.000 0.763 133 P CB 0.509 32.251 31.700 0.071 0.000 0.807 134 I N 5.721 126.278 120.570 -0.021 0.000 2.371 134 I HA 0.191 4.361 4.170 0.000 0.000 0.290 134 I C -1.512 174.618 176.117 0.022 0.000 1.028 134 I CA -2.387 58.911 61.300 -0.003 0.000 1.345 134 I CB 1.117 39.098 38.000 -0.032 0.000 1.407 134 I HN 0.203 nan 8.210 nan 0.000 0.501 135 P HA 0.132 nan 4.420 nan 0.000 0.271 135 P C -0.657 176.693 177.300 0.084 0.000 1.218 135 P CA -0.098 63.090 63.100 0.148 0.000 0.780 135 P CB 0.944 32.715 31.700 0.119 0.000 0.901 136 T N -1.712 112.906 114.554 0.108 0.000 2.901 136 T HA 0.555 4.905 4.350 0.000 0.000 0.293 136 T C -0.459 174.221 174.700 -0.034 0.000 1.084 136 T CA -0.656 61.433 62.100 -0.017 0.000 1.008 136 T CB 1.131 69.970 68.868 -0.049 0.000 1.170 136 T HN 0.258 nan 8.240 nan 0.000 0.509 137 T N 1.723 116.089 114.554 -0.313 0.000 2.823 137 T HA 0.626 4.976 4.350 0.000 0.000 0.279 137 T C -0.599 173.903 174.700 -0.330 0.000 0.998 137 T CA -0.620 61.279 62.100 -0.335 0.000 0.994 137 T CB 0.937 69.467 68.868 -0.564 0.000 0.960 137 T HN 0.745 nan 8.240 nan 0.000 0.448 138 I N 4.001 124.519 120.570 -0.087 0.000 2.404 138 I HA 0.583 4.753 4.170 0.000 0.000 0.293 138 I C -1.072 175.087 176.117 0.071 0.000 0.992 138 I CA -0.817 60.493 61.300 0.017 0.000 1.149 138 I CB 0.746 38.794 38.000 0.081 0.000 1.315 138 I HN 0.427 nan 8.210 nan 0.000 0.446 139 M N 6.137 125.816 119.600 0.132 0.000 2.593 139 M HA 0.518 4.998 4.480 0.000 0.000 0.290 139 M C -0.745 175.627 176.300 0.120 0.000 1.244 139 M CA -0.620 54.765 55.300 0.142 0.000 0.857 139 M CB 1.848 34.578 32.600 0.217 0.000 1.738 139 M HN 0.596 nan 8.290 nan 0.000 0.461 140 A N 1.869 124.743 122.820 0.090 0.000 2.290 140 A HA 0.555 4.875 4.320 0.000 0.000 0.310 140 A C -0.137 177.495 177.584 0.079 0.000 1.202 140 A CA -0.551 51.529 52.037 0.073 0.000 0.837 140 A CB 0.420 19.450 19.000 0.050 0.000 1.139 140 A HN 0.746 nan 8.150 nan 0.000 0.509 141 K N 2.010 122.458 120.400 0.080 0.000 2.237 141 K HA 0.166 4.486 4.320 0.000 0.000 0.270 141 K C -0.625 176.002 176.600 0.044 0.000 1.015 141 K CA -0.349 55.976 56.287 0.064 0.000 0.949 141 K CB 0.551 33.094 32.500 0.071 0.000 0.976 141 K HN 0.664 nan 8.250 nan 0.000 0.472 142 N N 3.451 122.154 118.700 0.005 0.000 2.609 142 N HA 0.138 4.878 4.740 0.000 0.000 0.234 142 N C -0.994 174.435 175.510 -0.135 0.000 1.001 142 N CA -0.133 52.890 53.050 -0.045 0.000 0.926 142 N CB 1.186 39.648 38.487 -0.041 0.000 1.130 142 N HN 0.488 nan 8.380 nan 0.000 0.510 143 E N 0.614 120.729 120.200 -0.141 0.000 2.238 143 E HA 0.433 4.783 4.350 0.000 0.000 0.267 143 E C -0.606 175.679 176.600 -0.524 0.000 0.887 143 E CA -0.907 55.311 56.400 -0.303 0.000 0.769 143 E CB 2.670 32.273 29.700 -0.163 0.000 1.187 143 E HN 0.066 nan 8.360 nan 0.000 0.416 144 V N 3.304 122.738 119.914 -0.801 0.000 2.481 144 V HA 0.476 4.596 4.120 0.000 0.000 0.286 144 V C -0.674 174.777 176.094 -1.071 0.000 1.042 144 V CA -0.135 61.664 62.300 -0.836 0.000 0.928 144 V CB 0.184 31.591 31.823 -0.694 0.000 0.986 144 V HN 0.525 nan 8.190 nan 0.000 0.462 145 F N 1.972 121.542 119.950 -0.633 0.000 2.715 145 F HA 0.584 5.111 4.527 0.000 0.000 0.318 145 F C -0.080 175.488 175.800 -0.387 0.000 1.141 145 F CA -0.693 57.013 58.000 -0.491 0.000 0.950 145 F CB 1.400 40.109 39.000 -0.486 0.000 1.374 145 F HN 0.517 nan 8.300 nan 0.000 0.477 146 C N 2.895 122.276 119.300 0.135 0.000 2.355 146 C HA 0.801 5.261 4.460 0.000 0.000 0.332 146 C C 0.121 175.313 174.990 0.337 0.000 1.255 146 C CA -0.672 58.464 59.018 0.198 0.000 1.792 146 C CB -0.100 27.714 27.740 0.123 0.000 2.300 146 C HN 0.712 nan 8.230 nan 0.000 0.515 147 V N 4.084 124.224 119.914 0.378 0.000 3.332 147 V HA 0.363 4.483 4.120 0.000 0.000 0.305 147 V C 0.398 176.572 176.094 0.134 0.000 1.114 147 V CA 0.492 62.947 62.300 0.260 0.000 1.194 147 V CB 0.117 32.011 31.823 0.118 0.000 1.027 147 V HN 1.183 nan 8.190 nan 0.000 0.492 155 K N 0.936 121.319 120.400 -0.029 0.000 2.237 155 K HA 0.457 4.777 4.320 0.000 0.000 0.270 155 K C -0.134 176.467 176.600 0.001 0.000 1.015 155 K CA -0.420 55.824 56.287 -0.071 0.000 0.949 155 K CB 1.055 33.378 32.500 -0.295 0.000 0.976 155 K HN 0.608 nan 8.250 nan 0.000 0.472 156 A N 1.702 124.509 122.820 -0.021 0.000 2.322 156 A HA 0.500 4.820 4.320 0.000 0.000 0.269 156 A C -0.048 177.559 177.584 0.038 0.000 1.094 156 A CA -0.511 51.531 52.037 0.007 0.000 0.807 156 A CB 0.464 19.457 19.000 -0.012 0.000 1.047 156 A HN 0.798 nan 8.150 nan 0.000 0.487 157 A N 1.941 124.796 122.820 0.058 0.000 2.498 157 A HA 0.392 4.712 4.320 0.000 0.000 0.239 157 A C 0.738 178.365 177.584 0.071 0.000 1.068 157 A CA 0.001 52.087 52.037 0.082 0.000 0.766 157 A CB 0.008 19.050 19.000 0.071 0.000 1.003 157 A HN 0.851 nan 8.150 nan 0.000 0.497 158 R N 0.497 121.057 120.500 0.099 0.000 2.582 158 R HA 0.452 4.792 4.340 0.000 0.000 0.271 158 R C -0.786 175.573 176.300 0.097 0.000 1.078 158 R CA -0.228 55.934 56.100 0.103 0.000 1.127 158 R CB 0.510 30.887 30.300 0.128 0.000 1.038 158 R HN 0.662 nan 8.270 nan 0.000 0.500 159 L N 3.193 124.478 121.223 0.104 0.000 2.317 159 L HA 0.456 4.796 4.340 0.000 0.000 0.281 159 L C -0.527 176.431 176.870 0.147 0.000 1.024 159 L CA -0.947 53.957 54.840 0.107 0.000 0.810 159 L CB 1.527 43.632 42.059 0.078 0.000 1.240 159 L HN 0.427 nan 8.230 nan 0.000 0.427 160 I N 3.590 124.261 120.570 0.169 0.000 2.433 160 I HA 0.473 4.643 4.170 0.000 0.000 0.292 160 I C -0.733 175.543 176.117 0.265 0.000 1.001 160 I CA -0.441 60.992 61.300 0.222 0.000 1.119 160 I CB 1.889 40.025 38.000 0.227 0.000 1.289 160 I HN 0.167 nan 8.210 nan 0.000 0.438 161 V N 9.314 129.381 119.914 0.255 0.000 2.444 161 V HA 0.543 4.663 4.120 0.000 0.000 0.294 161 V C -1.049 175.187 176.094 0.236 0.000 1.022 161 V CA -0.548 61.853 62.300 0.170 0.000 0.850 161 V CB 0.974 32.885 31.823 0.148 0.000 0.992 161 V HN 0.669 nan 8.190 nan 0.000 0.426 162 Y N 4.601 124.957 120.300 0.095 0.000 2.571 162 Y HA 0.906 5.456 4.550 0.000 0.000 0.341 162 Y C -3.125 172.827 175.900 0.086 0.000 1.076 162 Y CA -2.916 55.239 58.100 0.092 0.000 1.029 162 Y CB 1.966 40.474 38.460 0.081 0.000 1.308 162 Y HN 0.412 nan 8.280 nan 0.000 0.461 163 P HA 0.156 nan 4.420 nan 0.000 0.281 163 P C -0.946 176.481 177.300 0.212 0.000 1.281 163 P CA -0.218 62.962 63.100 0.132 0.000 0.811 163 P CB 1.558 33.333 31.700 0.124 0.000 1.154 164 D N -0.623 119.874 120.400 0.161 0.000 2.400 164 D HA -0.063 4.577 4.640 0.000 0.000 0.238 164 D C 1.366 177.784 176.300 0.197 0.000 1.157 164 D CA -0.256 53.853 54.000 0.182 0.000 0.889 164 D CB 0.282 41.212 40.800 0.217 0.000 1.199 164 D HN 0.094 nan 8.370 nan 0.000 0.436 165 L N 3.517 124.834 121.223 0.156 0.000 2.051 165 L HA -0.052 4.288 4.340 0.000 0.000 0.214 165 L C 2.097 179.109 176.870 0.237 0.000 1.076 165 L CA 2.638 57.569 54.840 0.152 0.000 0.758 165 L CB -1.177 40.925 42.059 0.070 0.000 0.890 165 L HN 0.677 nan 8.230 nan 0.000 0.433 166 G N -1.355 107.645 108.800 0.333 0.000 2.442 166 G HA2 -0.222 3.738 3.960 0.000 0.000 0.219 166 G HA3 -0.222 3.738 3.960 0.000 0.000 0.219 166 G C 1.516 176.531 174.900 0.191 0.000 1.141 166 G CA 1.149 46.472 45.100 0.372 0.000 0.763 166 G HN 0.383 nan 8.290 nan 0.000 0.554 167 V N 0.491 120.509 119.914 0.173 0.000 2.488 167 V HA -0.073 4.047 4.120 0.000 0.000 0.246 167 V C 2.854 179.031 176.094 0.139 0.000 1.046 167 V CA 1.491 63.866 62.300 0.126 0.000 1.053 167 V CB -0.370 31.516 31.823 0.105 0.000 0.679 167 V HN 0.319 nan 8.190 nan 0.000 0.458 168 R N -0.236 120.354 120.500 0.151 0.000 2.120 168 R HA -0.102 4.238 4.340 0.000 0.000 0.234 168 R C 2.192 178.561 176.300 0.116 0.000 1.123 168 R CA 1.253 57.436 56.100 0.139 0.000 0.975 168 R CB -0.504 29.870 30.300 0.125 0.000 0.866 168 R HN 0.416 nan 8.270 nan 0.000 0.446 169 V N 0.239 120.220 119.914 0.112 0.000 2.379 169 V HA -0.253 3.867 4.120 0.000 0.000 0.245 169 V C 2.452 178.595 176.094 0.082 0.000 1.044 169 V CA 1.422 63.764 62.300 0.070 0.000 1.036 169 V CB -0.378 31.482 31.823 0.061 0.000 0.664 169 V HN 0.424 nan 8.190 nan 0.000 0.453 170 C N 0.002 119.387 119.300 0.143 0.000 2.422 170 C HA -0.137 4.323 4.460 0.000 0.000 0.279 170 C C 2.653 177.816 174.990 0.288 0.000 1.305 170 C CA 0.893 60.069 59.018 0.264 0.000 1.757 170 C CB -1.005 26.934 27.740 0.332 0.000 1.962 170 C HN 0.622 nan 8.230 nan 0.000 0.499 171 E N 0.735 121.060 120.200 0.208 0.000 2.077 171 E HA -0.204 4.146 4.350 0.000 0.000 0.193 171 E C 2.165 178.882 176.600 0.195 0.000 0.989 171 E CA 1.093 57.624 56.400 0.219 0.000 0.800 171 E CB -0.120 29.716 29.700 0.227 0.000 0.746 171 E HN 0.632 nan 8.360 nan 0.000 0.452 172 K N 0.365 120.852 120.400 0.145 0.000 2.057 172 K HA -0.104 4.216 4.320 0.000 0.000 0.207 172 K C 2.208 178.873 176.600 0.109 0.000 1.049 172 K CA 1.342 57.704 56.287 0.125 0.000 0.931 172 K CB -0.111 32.399 32.500 0.017 0.000 0.714 172 K HN 0.128 nan 8.250 nan 0.000 0.440 173 M N 0.198 119.825 119.600 0.045 0.000 2.117 173 M HA -0.166 4.314 4.480 0.000 0.000 0.262 173 M C 2.404 178.747 176.300 0.071 0.000 1.065 173 M CA 1.676 56.941 55.300 -0.058 0.000 1.114 173 M CB -0.326 32.067 32.600 -0.345 0.000 1.361 173 M HN 0.226 nan 8.290 nan 0.000 0.408 174 A N -0.469 122.508 122.820 0.260 0.000 1.935 174 A HA 0.075 4.395 4.320 0.000 0.000 0.214 174 A C 1.815 179.494 177.584 0.159 0.000 1.178 174 A CA 1.028 53.255 52.037 0.316 0.000 0.640 174 A CB -0.127 19.102 19.000 0.382 0.000 0.825 174 A HN 0.486 nan 8.150 nan 0.000 0.447 175 L N -3.091 118.206 121.223 0.123 0.000 3.039 175 L HA 0.210 4.550 4.340 0.000 0.000 0.269 175 L C 1.797 178.665 176.870 -0.003 0.000 1.169 175 L CA 0.003 54.852 54.840 0.014 0.000 0.986 175 L CB 0.009 42.040 42.059 -0.047 0.000 1.377 175 L HN 0.468 nan 8.230 nan 0.000 0.575 176 Y N 1.541 121.829 120.300 -0.021 0.000 2.128 176 Y HA -0.366 4.184 4.550 0.000 0.000 0.284 176 Y C 2.261 178.141 175.900 -0.032 0.000 1.154 176 Y CA 2.334 60.418 58.100 -0.027 0.000 1.149 176 Y CB 0.146 38.595 38.460 -0.018 0.000 0.976 176 Y HN 0.233 nan 8.280 nan 0.000 0.505 177 D N -0.666 119.718 120.400 -0.025 0.000 2.149 177 D HA -0.194 4.446 4.640 0.000 0.000 0.198 177 D C 2.167 178.365 176.300 -0.169 0.000 0.990 177 D CA 1.550 55.496 54.000 -0.090 0.000 0.839 177 D CB -0.245 40.562 40.800 0.011 0.000 0.948 177 D HN 0.273 nan 8.370 nan 0.000 0.460 178 V N 0.311 120.132 119.914 -0.154 0.000 2.343 178 V HA -0.260 3.860 4.120 0.000 0.000 0.247 178 V C 2.697 178.651 176.094 -0.233 0.000 1.051 178 V CA 2.207 64.401 62.300 -0.177 0.000 1.036 178 V CB -1.171 30.524 31.823 -0.214 0.000 0.654 178 V HN 0.497 nan 8.190 nan 0.000 0.451 179 T N -2.309 112.070 114.554 -0.292 0.000 2.929 179 T HA -0.233 4.117 4.350 0.000 0.000 0.271 179 T C 1.677 176.204 174.700 -0.288 0.000 1.085 179 T CA 1.186 63.114 62.100 -0.287 0.000 1.125 179 T CB -0.252 68.443 68.868 -0.288 0.000 0.874 179 T HN 0.408 nan 8.240 nan 0.000 0.494 180 Q N 0.632 120.229 119.800 -0.338 0.000 2.389 180 Q HA 0.216 4.556 4.340 0.000 0.000 0.204 180 Q C 1.702 177.611 176.000 -0.152 0.000 0.944 180 Q CA 0.882 56.539 55.803 -0.243 0.000 0.908 180 Q CB 0.247 28.826 28.738 -0.266 0.000 1.002 180 Q HN 0.684 nan 8.270 nan 0.000 0.493 181 K N -1.156 119.146 120.400 -0.163 0.000 2.493 181 K HA 0.102 4.422 4.320 0.000 0.000 0.201 181 K C 1.646 178.152 176.600 -0.156 0.000 1.355 181 K CA -0.196 56.014 56.287 -0.128 0.000 0.953 181 K CB 0.132 32.580 32.500 -0.087 0.000 1.316 181 K HN -0.091 nan 8.250 nan 0.000 0.522 182 L N 2.947 124.072 121.223 -0.164 0.000 1.989 182 L HA -0.086 4.254 4.340 0.000 0.000 0.211 182 L C -1.238 175.490 176.870 -0.236 0.000 1.071 182 L CA 2.047 56.798 54.840 -0.148 0.000 0.749 182 L CB -0.843 41.164 42.059 -0.085 0.000 0.890 182 L HN -0.024 nan 8.230 nan 0.000 0.431 183 P HA -0.201 nan 4.420 nan 0.000 0.215 183 P C 1.457 178.421 177.300 -0.560 0.000 1.157 183 P CA 1.587 64.294 63.100 -0.656 0.000 0.874 183 P CB -0.006 30.838 31.700 -1.426 0.000 0.790 184 Q N -0.634 118.888 119.800 -0.463 0.000 2.084 184 Q HA -0.082 4.258 4.340 0.000 0.000 0.202 184 Q C 2.283 178.189 176.000 -0.156 0.000 0.978 184 Q CA 1.877 57.550 55.803 -0.218 0.000 0.844 184 Q CB -1.289 27.384 28.738 -0.107 0.000 0.898 184 Q HN 0.169 nan 8.270 nan 0.000 0.426 185 A N 0.342 123.074 122.820 -0.147 0.000 1.933 185 A HA -0.139 4.181 4.320 0.000 0.000 0.218 185 A C 2.157 179.686 177.584 -0.091 0.000 1.175 185 A CA 1.841 53.822 52.037 -0.093 0.000 0.628 185 A CB -0.697 18.258 19.000 -0.075 0.000 0.814 185 A HN 0.349 nan 8.150 nan 0.000 0.444 186 V N -5.130 114.705 119.914 -0.133 0.000 3.590 186 V HA 0.302 4.422 4.120 0.000 0.000 0.265 186 V C 1.722 177.690 176.094 -0.209 0.000 1.239 186 V CA 1.501 63.733 62.300 -0.114 0.000 1.117 186 V CB 0.101 31.873 31.823 -0.085 0.000 0.818 186 V HN 0.437 nan 8.190 nan 0.000 0.451 187 M N -0.183 119.228 119.600 -0.315 0.000 2.329 187 M HA 0.527 5.007 4.480 0.000 0.000 0.281 187 M C 1.397 177.569 176.300 -0.215 0.000 1.088 187 M CA 0.956 55.956 55.300 -0.500 0.000 1.108 187 M CB 1.004 33.220 32.600 -0.640 0.000 1.657 187 M HN 0.609 nan 8.290 nan 0.000 0.579 188 G N 1.085 109.812 108.800 -0.122 0.000 2.574 188 G HA2 -0.411 3.549 3.960 0.000 0.000 0.286 188 G HA3 -0.411 3.549 3.960 0.000 0.000 0.286 188 G C 0.645 175.543 174.900 -0.003 0.000 1.212 188 G CA 0.497 45.579 45.100 -0.030 0.000 0.979 188 G HN 0.642 nan 8.290 nan 0.000 0.557 189 A N -0.812 122.059 122.820 0.085 0.000 2.178 189 A HA 0.245 4.565 4.320 0.000 0.000 0.218 189 A C 2.551 180.125 177.584 -0.016 0.000 1.157 189 A CA 2.622 54.757 52.037 0.163 0.000 0.689 189 A CB -0.485 18.748 19.000 0.388 0.000 0.787 189 A HN 1.311 nan 8.150 nan 0.000 0.465 190 S N -1.653 114.038 115.700 -0.015 0.000 2.522 190 S HA 0.021 4.491 4.470 0.000 0.000 0.227 190 S C 0.407 174.910 174.600 -0.162 0.000 0.986 190 S CA -0.127 58.027 58.200 -0.077 0.000 0.929 190 S CB -0.304 62.932 63.200 0.060 0.000 0.769 190 S HN 0.614 nan 8.310 nan 0.000 0.529 191 Y N 3.003 123.102 120.300 -0.335 0.000 2.584 191 Y HA 0.460 5.011 4.550 0.000 0.000 0.351 191 Y C 1.234 176.844 175.900 -0.483 0.000 1.030 191 Y CA -1.433 56.455 58.100 -0.354 0.000 1.332 191 Y CB -0.042 38.239 38.460 -0.297 0.000 1.148 191 Y HN 0.048 nan 8.280 nan 0.000 0.528 192 G N 4.578 112.938 108.800 -0.733 0.000 2.408 192 G HA2 -0.263 3.697 3.960 0.000 0.000 0.217 192 G HA3 -0.263 3.697 3.960 0.000 0.000 0.217 192 G C 1.106 175.447 174.900 -0.932 0.000 1.150 192 G CA 0.265 44.889 45.100 -0.794 0.000 0.776 192 G HN 0.647 nan 8.290 nan 0.000 0.542 193 F N 1.650 120.981 119.950 -1.033 0.000 2.641 193 F HA -0.005 4.522 4.527 0.000 0.000 0.298 193 F C 2.868 178.414 175.800 -0.424 0.000 1.146 193 F CA 1.037 58.648 58.000 -0.649 0.000 1.464 193 F CB -0.194 38.502 39.000 -0.508 0.000 1.101 193 F HN 0.400 nan 8.300 nan 0.000 0.585 194 Q N -1.035 118.405 119.800 -0.601 0.000 2.432 194 Q HA -0.029 4.311 4.340 0.000 0.000 0.205 194 Q C -0.364 175.503 176.000 -0.221 0.000 0.945 194 Q CA 0.599 56.221 55.803 -0.300 0.000 0.924 194 Q CB -0.386 28.138 28.738 -0.356 0.000 1.016 194 Q HN 0.393 nan 8.270 nan 0.000 0.503 195 Y N 1.736 121.970 120.300 -0.110 0.000 2.361 195 Y HA 0.318 4.868 4.550 0.000 0.000 0.332 195 Y C 0.703 176.339 175.900 -0.439 0.000 1.101 195 Y CA -1.178 56.808 58.100 -0.190 0.000 1.137 195 Y CB 1.416 39.742 38.460 -0.223 0.000 1.207 195 Y HN 0.062 nan 8.280 nan 0.000 0.463 196 S N 1.703 117.150 115.700 -0.423 0.000 2.655 196 S HA 0.262 4.732 4.470 0.000 0.000 0.265 196 S C -2.138 172.182 174.600 -0.467 0.000 1.240 196 S CA -1.203 56.367 58.200 -1.049 0.000 0.986 196 S CB 1.421 64.306 63.200 -0.524 0.000 0.985 196 S HN 0.410 nan 8.310 nan 0.000 0.562 197 P HA -0.066 nan 4.420 nan 0.000 0.216 197 P C 1.571 178.828 177.300 -0.072 0.000 1.153 197 P CA 2.039 65.062 63.100 -0.129 0.000 0.858 197 P CB -0.266 31.425 31.700 -0.015 0.000 0.789 198 A N -0.573 122.191 122.820 -0.094 0.000 1.933 198 A HA -0.250 4.070 4.320 0.000 0.000 0.218 198 A C 2.197 179.736 177.584 -0.076 0.000 1.175 198 A CA 1.552 53.568 52.037 -0.035 0.000 0.628 198 A CB -1.215 17.757 19.000 -0.047 0.000 0.814 198 A HN 0.216 nan 8.150 nan 0.000 0.444 199 Q N -1.194 118.532 119.800 -0.123 0.000 2.172 199 Q HA -0.087 4.253 4.340 0.000 0.000 0.200 199 Q C 2.324 178.118 176.000 -0.344 0.000 0.964 199 Q CA 1.170 56.866 55.803 -0.178 0.000 0.855 199 Q CB -0.108 28.588 28.738 -0.069 0.000 0.918 199 Q HN 0.679 nan 8.270 nan 0.000 0.444 200 R N 0.236 120.588 120.500 -0.248 0.000 2.075 200 R HA -0.115 4.225 4.340 0.000 0.000 0.232 200 R C 2.113 178.343 176.300 -0.117 0.000 1.126 200 R CA 1.006 56.971 56.100 -0.226 0.000 0.963 200 R CB -0.065 30.173 30.300 -0.104 0.000 0.858 200 R HN 0.083 nan 8.270 nan 0.000 0.435 201 V N 1.329 121.193 119.914 -0.083 0.000 2.287 201 V HA -0.270 3.850 4.120 0.000 0.000 0.248 201 V C 2.342 178.380 176.094 -0.093 0.000 1.053 201 V CA 2.295 64.559 62.300 -0.060 0.000 1.027 201 V CB -0.584 31.238 31.823 -0.002 0.000 0.646 201 V HN 0.504 nan 8.190 nan 0.000 0.447 202 E N -0.393 119.748 120.200 -0.097 0.000 2.085 202 E HA -0.296 4.054 4.350 0.000 0.000 0.194 202 E C 2.126 178.650 176.600 -0.126 0.000 0.994 202 E CA 1.873 58.209 56.400 -0.108 0.000 0.801 202 E CB -0.277 29.368 29.700 -0.090 0.000 0.743 202 E HN 0.558 nan 8.360 nan 0.000 0.453 203 F N 1.189 120.958 119.950 -0.302 0.000 2.102 203 F HA -0.170 4.357 4.527 0.000 0.000 0.298 203 F C 1.957 177.656 175.800 -0.170 0.000 1.105 203 F CA 1.533 59.359 58.000 -0.289 0.000 1.239 203 F CB -0.218 38.488 39.000 -0.491 0.000 0.991 203 F HN 0.008 nan 8.300 nan 0.000 0.474 204 L N -0.258 120.918 121.223 -0.078 0.000 2.046 204 L HA -0.236 4.104 4.340 0.000 0.000 0.208 204 L C 2.498 179.270 176.870 -0.163 0.000 1.077 204 L CA 1.145 55.914 54.840 -0.117 0.000 0.747 204 L CB -0.772 41.260 42.059 -0.046 0.000 0.896 204 L HN 0.236 nan 8.230 nan 0.000 0.432 205 L N -0.294 120.815 121.223 -0.189 0.000 2.046 205 L HA -0.241 4.099 4.340 0.000 0.000 0.208 205 L C 2.710 179.497 176.870 -0.138 0.000 1.077 205 L CA 1.351 56.072 54.840 -0.199 0.000 0.747 205 L CB -0.446 41.425 42.059 -0.312 0.000 0.896 205 L HN 0.242 nan 8.230 nan 0.000 0.432 206 K N 0.128 120.408 120.400 -0.200 0.000 2.026 206 K HA -0.175 4.145 4.320 0.000 0.000 0.208 206 K C 2.156 178.627 176.600 -0.215 0.000 1.048 206 K CA 1.321 57.489 56.287 -0.198 0.000 0.929 206 K CB -0.084 32.277 32.500 -0.231 0.000 0.713 206 K HN 0.271 nan 8.250 nan 0.000 0.439 207 A N 1.029 123.649 122.820 -0.334 0.000 1.933 207 A HA -0.198 4.122 4.320 0.000 0.000 0.218 207 A C 1.985 179.511 177.584 -0.097 0.000 1.175 207 A CA 1.170 53.032 52.037 -0.291 0.000 0.628 207 A CB -0.976 17.762 19.000 -0.437 0.000 0.814 207 A HN 0.699 nan 8.150 nan 0.000 0.444 208 W N 0.484 121.650 121.300 -0.222 0.000 2.381 208 W HA -0.109 4.551 4.660 0.000 0.000 0.301 208 W C 2.312 178.756 176.519 -0.126 0.000 1.205 208 W CA 1.682 58.934 57.345 -0.154 0.000 1.285 208 W CB -0.149 29.221 29.460 -0.150 0.000 1.133 208 W HN 0.416 nan 8.180 nan 0.000 0.521 209 A N 1.095 123.932 122.820 0.028 0.000 2.015 209 A HA -0.232 4.088 4.320 0.000 0.000 0.219 209 A C 1.709 179.232 177.584 -0.102 0.000 1.163 209 A CA 1.713 53.724 52.037 -0.044 0.000 0.646 209 A CB -0.884 18.101 19.000 -0.026 0.000 0.806 209 A HN 0.606 nan 8.150 nan 0.000 0.448 210 E N -0.314 119.816 120.200 -0.117 0.000 2.482 210 E HA -0.020 4.330 4.350 0.000 0.000 0.196 210 E C -0.110 176.412 176.600 -0.130 0.000 1.047 210 E CA 0.154 56.488 56.400 -0.111 0.000 0.869 210 E CB 0.033 29.670 29.700 -0.104 0.000 0.836 210 E HN 0.171 nan 8.360 nan 0.000 0.520 211 K N 1.517 121.803 120.400 -0.190 0.000 2.143 211 K HA 0.214 4.534 4.320 0.000 0.000 0.272 211 K C 0.435 176.916 176.600 -0.199 0.000 1.001 211 K CA -0.332 55.830 56.287 -0.209 0.000 0.915 211 K CB 1.563 33.878 32.500 -0.309 0.000 1.047 211 K HN -0.023 nan 8.250 nan 0.000 0.458 212 K N 0.593 120.905 120.400 -0.146 0.000 2.062 212 K HA -0.112 4.209 4.320 0.000 0.000 0.205 212 K C -0.113 176.403 176.600 -0.139 0.000 1.051 212 K CA 1.307 57.524 56.287 -0.117 0.000 0.941 212 K CB 0.137 32.588 32.500 -0.080 0.000 0.719 212 K HN 0.490 nan 8.250 nan 0.000 0.440 213 D N 0.531 120.835 120.400 -0.160 0.000 2.468 213 D HA 0.139 4.779 4.640 0.000 0.000 0.272 213 D C -2.716 173.446 176.300 -0.230 0.000 1.221 213 D CA -1.970 51.937 54.000 -0.155 0.000 0.860 213 D CB 0.959 41.709 40.800 -0.084 0.000 1.190 213 D HN -0.071 nan 8.370 nan 0.000 0.509 214 P HA 0.041 nan 4.420 nan 0.000 0.266 214 P C -0.583 176.377 177.300 -0.567 0.000 1.195 214 P CA -0.204 62.417 63.100 -0.800 0.000 0.768 214 P CB 0.876 31.469 31.700 -1.845 0.000 0.838 215 M N 2.481 121.850 119.600 -0.385 0.000 2.324 215 M HA 0.577 5.058 4.480 0.000 0.000 0.288 215 M C -1.258 175.024 176.300 -0.031 0.000 1.097 215 M CA -0.265 54.923 55.300 -0.186 0.000 0.928 215 M CB 2.441 34.989 32.600 -0.088 0.000 1.648 215 M HN 0.554 nan 8.290 nan 0.000 0.460 216 G N 3.802 112.664 108.800 0.103 0.000 2.574 216 G HA2 0.873 4.834 3.960 0.000 0.000 0.299 216 G HA3 0.873 4.834 3.960 0.000 0.000 0.299 216 G C -1.902 173.079 174.900 0.136 0.000 1.298 216 G CA -0.625 44.563 45.100 0.147 0.000 0.952 216 G HN 0.839 nan 8.290 nan 0.000 0.477 217 F N -0.450 119.466 119.950 -0.056 0.000 2.665 217 F HA 0.753 5.281 4.527 0.000 0.000 0.308 217 F C -0.492 175.289 175.800 -0.032 0.000 1.112 217 F CA -1.373 56.586 58.000 -0.068 0.000 0.972 217 F CB 1.425 40.362 39.000 -0.106 0.000 1.295 217 F HN 0.646 nan 8.300 nan 0.000 0.440 218 S N 1.754 117.551 115.700 0.162 0.000 2.472 218 S HA 0.617 5.088 4.470 0.000 0.000 0.303 218 S C -1.596 173.190 174.600 0.310 0.000 1.099 218 S CA -0.629 57.628 58.200 0.095 0.000 1.077 218 S CB 1.587 64.819 63.200 0.052 0.000 1.031 218 S HN 0.890 nan 8.310 nan 0.000 0.487 219 Y N 1.790 122.203 120.300 0.188 0.000 2.328 219 Y HA 0.450 5.000 4.550 0.000 0.000 0.337 219 Y C -0.773 175.257 175.900 0.217 0.000 0.966 219 Y CA -0.572 57.708 58.100 0.299 0.000 1.136 219 Y CB 1.246 39.995 38.460 0.480 0.000 1.170 219 Y HN 0.810 nan 8.280 nan 0.000 0.470 220 D N 4.655 124.904 120.400 -0.253 0.000 2.443 220 D HA 0.191 4.831 4.640 0.000 0.000 0.221 220 D C -0.793 175.363 176.300 -0.240 0.000 1.097 220 D CA -0.124 53.791 54.000 -0.141 0.000 0.865 220 D CB 0.891 41.636 40.800 -0.091 0.000 1.034 220 D HN 0.488 nan 8.370 nan 0.000 0.511 221 T N 4.006 118.596 114.554 0.060 0.000 2.851 221 T HA 0.122 4.472 4.350 0.000 0.000 0.298 221 T C 0.467 175.259 174.700 0.154 0.000 0.977 221 T CA -0.512 61.707 62.100 0.198 0.000 1.126 221 T CB 0.786 70.000 68.868 0.577 0.000 0.916 221 T HN 0.222 nan 8.240 nan 0.000 0.529 222 R N 2.577 123.120 120.500 0.072 0.000 2.351 222 R HA 0.075 4.415 4.340 0.000 0.000 0.318 222 R C -0.322 176.061 176.300 0.139 0.000 1.055 222 R CA -0.089 56.042 56.100 0.052 0.000 0.968 222 R CB -0.929 29.342 30.300 -0.048 0.000 0.974 222 R HN 0.980 nan 8.270 nan 0.000 0.439 223 C N 5.710 125.129 119.300 0.197 0.000 3.268 223 C HA -0.172 4.288 4.460 0.000 0.000 0.277 223 C C 1.448 176.637 174.990 0.332 0.000 1.259 223 C CA 0.157 59.346 59.018 0.285 0.000 2.353 223 C CB -3.049 24.913 27.740 0.369 0.000 1.482 223 C HN 0.997 nan 8.230 nan 0.000 0.513 224 F N 1.823 121.890 119.950 0.196 0.000 2.063 224 F HA -0.205 4.322 4.527 0.000 0.000 0.298 224 F C 1.998 177.912 175.800 0.190 0.000 1.109 224 F CA 2.446 60.563 58.000 0.196 0.000 1.212 224 F CB -0.006 39.099 39.000 0.176 0.000 0.973 224 F HN 0.487 nan 8.300 nan 0.000 0.480 225 D N -0.355 120.301 120.400 0.427 0.000 2.149 225 D HA -0.188 4.452 4.640 0.000 0.000 0.194 225 D C 2.402 178.778 176.300 0.126 0.000 1.001 225 D CA 1.770 55.943 54.000 0.288 0.000 0.849 225 D CB -0.571 40.394 40.800 0.275 0.000 0.939 225 D HN 0.239 nan 8.370 nan 0.000 0.449 226 S N -0.727 115.067 115.700 0.157 0.000 2.481 226 S HA -0.087 4.384 4.470 0.000 0.000 0.231 226 S C 1.980 176.554 174.600 -0.043 0.000 0.996 226 S CA 1.283 59.491 58.200 0.014 0.000 0.942 226 S CB -0.152 63.109 63.200 0.103 0.000 0.768 226 S HN 0.535 nan 8.310 nan 0.000 0.520 227 T N -0.685 113.911 114.554 0.070 0.000 3.067 227 T HA 0.154 4.504 4.350 0.000 0.000 0.257 227 T C 0.595 175.224 174.700 -0.118 0.000 1.105 227 T CA -0.022 62.102 62.100 0.040 0.000 1.104 227 T CB -0.352 68.492 68.868 -0.040 0.000 0.925 227 T HN 0.027 nan 8.240 nan 0.000 0.498 228 V N 4.187 124.003 119.914 -0.164 0.000 2.479 228 V HA 0.303 4.423 4.120 0.000 0.000 0.281 228 V C 1.173 177.216 176.094 -0.085 0.000 1.031 228 V CA -0.269 61.960 62.300 -0.120 0.000 1.038 228 V CB 0.049 31.849 31.823 -0.038 0.000 0.981 228 V HN 0.714 nan 8.190 nan 0.000 0.478 229 T N 1.101 115.616 114.554 -0.064 0.000 2.881 229 T HA 0.337 4.687 4.350 0.000 0.000 0.278 229 T C 0.958 175.633 174.700 -0.040 0.000 0.982 229 T CA -0.582 61.482 62.100 -0.060 0.000 0.989 229 T CB 1.311 70.149 68.868 -0.050 0.000 1.058 229 T HN 0.630 nan 8.240 nan 0.000 0.529 230 E N -0.190 119.986 120.200 -0.040 0.000 2.110 230 E HA -0.136 4.214 4.350 0.000 0.000 0.193 230 E C 2.337 178.933 176.600 -0.007 0.000 0.988 230 E CA 0.828 57.217 56.400 -0.019 0.000 0.804 230 E CB -0.083 29.606 29.700 -0.019 0.000 0.745 230 E HN 0.619 nan 8.360 nan 0.000 0.458 231 R N 0.902 121.392 120.500 -0.016 0.000 2.096 231 R HA -0.173 4.167 4.340 0.000 0.000 0.235 231 R C 1.464 177.763 176.300 -0.003 0.000 1.127 231 R CA 1.697 57.790 56.100 -0.012 0.000 0.968 231 R CB 0.031 30.314 30.300 -0.028 0.000 0.861 231 R HN 0.099 nan 8.270 nan 0.000 0.440 232 D N 0.469 120.866 120.400 -0.005 0.000 2.117 232 D HA -0.160 4.480 4.640 0.000 0.000 0.197 232 D C 1.885 178.192 176.300 0.012 0.000 0.987 232 D CA 1.360 55.370 54.000 0.017 0.000 0.829 232 D CB -0.102 40.708 40.800 0.016 0.000 0.961 232 D HN 0.355 nan 8.370 nan 0.000 0.460 233 I N 0.449 121.026 120.570 0.012 0.000 2.439 233 I HA -0.154 4.016 4.170 0.000 0.000 0.251 233 I C 2.428 178.548 176.117 0.005 0.000 1.139 233 I CA 0.721 62.033 61.300 0.020 0.000 1.438 233 I CB -0.064 37.969 38.000 0.056 0.000 1.085 233 I HN -0.118 nan 8.210 nan 0.000 0.427 234 R N -0.019 120.488 120.500 0.012 0.000 2.148 234 R HA -0.058 4.282 4.340 0.000 0.000 0.223 234 R C 2.230 178.518 176.300 -0.019 0.000 1.088 234 R CA 1.407 57.518 56.100 0.017 0.000 0.985 234 R CB -0.360 29.958 30.300 0.030 0.000 0.880 234 R HN 0.290 nan 8.270 nan 0.000 0.451 235 T N 0.878 115.417 114.554 -0.025 0.000 2.857 235 T HA -0.090 4.260 4.350 0.000 0.000 0.266 235 T C 1.425 176.047 174.700 -0.130 0.000 1.048 235 T CA 1.101 63.180 62.100 -0.034 0.000 1.139 235 T CB 0.013 68.898 68.868 0.029 0.000 0.874 235 T HN 0.343 nan 8.240 nan 0.000 0.455 236 E N 0.861 120.943 120.200 -0.195 0.000 2.077 236 E HA -0.152 4.198 4.350 0.000 0.000 0.193 236 E C 2.302 178.378 176.600 -0.873 0.000 0.989 236 E CA 0.903 57.023 56.400 -0.466 0.000 0.800 236 E CB -0.065 29.405 29.700 -0.383 0.000 0.746 236 E HN 0.501 nan 8.360 nan 0.000 0.452 237 E N 0.584 120.487 120.200 -0.495 0.000 2.110 237 E HA -0.191 4.159 4.350 0.000 0.000 0.193 237 E C 2.136 178.658 176.600 -0.129 0.000 0.988 237 E CA 1.472 57.715 56.400 -0.262 0.000 0.804 237 E CB 0.036 29.774 29.700 0.064 0.000 0.745 237 E HN 0.223 nan 8.360 nan 0.000 0.458 238 S N 0.248 115.885 115.700 -0.105 0.000 2.419 238 S HA -0.128 4.342 4.470 0.000 0.000 0.233 238 S C 2.018 176.588 174.600 -0.051 0.000 1.016 238 S CA 0.876 59.050 58.200 -0.044 0.000 0.974 238 S CB -0.461 62.721 63.200 -0.030 0.000 0.786 238 S HN 0.285 nan 8.310 nan 0.000 0.492 239 I N 0.121 120.614 120.570 -0.129 0.000 2.353 239 I HA -0.096 4.074 4.170 0.000 0.000 0.248 239 I C 2.327 178.475 176.117 0.051 0.000 1.119 239 I CA 1.203 62.461 61.300 -0.070 0.000 1.417 239 I CB -0.433 37.499 38.000 -0.112 0.000 1.078 239 I HN 0.294 nan 8.210 nan 0.000 0.421 240 Y N 0.638 120.950 120.300 0.020 0.000 2.181 240 Y HA -0.239 4.311 4.550 0.000 0.000 0.288 240 Y C 2.672 178.587 175.900 0.024 0.000 1.146 240 Y CA 0.184 58.297 58.100 0.021 0.000 1.164 240 Y CB -0.222 38.265 38.460 0.046 0.000 0.982 240 Y HN 0.181 nan 8.280 nan 0.000 0.515 241 Q N 0.068 119.976 119.800 0.179 0.000 2.437 241 Q HA -0.077 4.263 4.340 0.000 0.000 0.210 241 Q C 2.287 178.325 176.000 0.063 0.000 0.972 241 Q CA 0.920 56.785 55.803 0.104 0.000 0.903 241 Q CB -0.268 28.512 28.738 0.069 0.000 0.967 241 Q HN 0.516 nan 8.270 nan 0.000 0.486 242 A N 0.012 122.865 122.820 0.056 0.000 2.119 242 A HA -0.047 4.273 4.320 0.000 0.000 0.217 242 A C 1.223 178.828 177.584 0.034 0.000 1.153 242 A CA 0.129 52.186 52.037 0.033 0.000 0.692 242 A CB -0.224 18.788 19.000 0.021 0.000 0.799 242 A HN 0.342 nan 8.150 nan 0.000 0.458 243 C N -0.666 118.665 119.300 0.051 0.000 2.649 243 C HA 0.423 4.883 4.460 0.000 0.000 0.377 243 C C 1.337 176.346 174.990 0.032 0.000 1.321 243 C CA -0.320 58.720 59.018 0.038 0.000 2.368 243 C CB 0.532 28.299 27.740 0.044 0.000 2.597 243 C HN 0.461 nan 8.230 nan 0.000 0.678 244 S N 1.392 117.106 115.700 0.022 0.000 2.400 244 S HA 0.622 5.092 4.470 0.000 0.000 0.295 244 S C -0.749 173.867 174.600 0.026 0.000 1.113 244 S CA -0.390 57.823 58.200 0.021 0.000 1.064 244 S CB -0.697 62.512 63.200 0.014 0.000 0.990 244 S HN 0.491 nan 8.310 nan 0.000 0.502 245 L N 5.843 127.086 121.223 0.033 0.000 2.350 245 L HA 0.661 5.001 4.340 0.000 0.000 0.260 245 L C -2.179 174.717 176.870 0.043 0.000 1.015 245 L CA -2.469 52.396 54.840 0.041 0.000 0.821 245 L CB 2.043 44.135 42.059 0.055 0.000 1.370 245 L HN 0.419 nan 8.230 nan 0.000 0.416 246 P HA 0.079 nan 4.420 nan 0.000 0.275 246 P C 0.015 177.351 177.300 0.061 0.000 1.228 246 P CA -0.231 62.900 63.100 0.053 0.000 0.786 246 P CB 1.538 33.273 31.700 0.059 0.000 0.927 247 E N 1.860 122.090 120.200 0.050 0.000 2.097 247 E HA -0.258 4.092 4.350 0.000 0.000 0.196 247 E C 1.792 178.427 176.600 0.058 0.000 1.000 247 E CA 1.880 58.306 56.400 0.044 0.000 0.804 247 E CB -0.406 29.312 29.700 0.032 0.000 0.740 247 E HN 0.632 nan 8.360 nan 0.000 0.454 248 E N -0.885 119.366 120.200 0.085 0.000 2.110 248 E HA -0.209 4.141 4.350 0.000 0.000 0.193 248 E C 1.863 178.551 176.600 0.147 0.000 0.988 248 E CA 1.045 57.518 56.400 0.122 0.000 0.804 248 E CB -0.208 29.610 29.700 0.197 0.000 0.745 248 E HN 0.345 nan 8.360 nan 0.000 0.458 249 A N 1.118 124.037 122.820 0.166 0.000 1.930 249 A HA -0.132 4.188 4.320 0.000 0.000 0.217 249 A C 2.114 179.764 177.584 0.111 0.000 1.175 249 A CA 1.174 53.320 52.037 0.182 0.000 0.627 249 A CB -0.357 18.736 19.000 0.156 0.000 0.815 249 A HN 0.165 nan 8.150 nan 0.000 0.443 250 R N -0.752 119.798 120.500 0.085 0.000 2.091 250 R HA -0.098 4.242 4.340 0.000 0.000 0.238 250 R C 2.235 178.575 176.300 0.066 0.000 1.136 250 R CA 1.863 58.008 56.100 0.074 0.000 0.959 250 R CB -0.799 29.530 30.300 0.049 0.000 0.856 250 R HN 0.524 nan 8.270 nan 0.000 0.437 251 T N 0.916 115.487 114.554 0.029 0.000 2.708 251 T HA -0.127 4.223 4.350 0.000 0.000 0.266 251 T C 1.991 176.660 174.700 -0.053 0.000 1.037 251 T CA 1.442 63.541 62.100 -0.002 0.000 1.146 251 T CB -0.267 68.574 68.868 -0.045 0.000 0.865 251 T HN 0.382 nan 8.240 nan 0.000 0.435 252 A N 1.024 123.758 122.820 -0.143 0.000 1.902 252 A HA -0.009 4.311 4.320 0.000 0.000 0.217 252 A C 2.297 179.825 177.584 -0.093 0.000 1.181 252 A CA 1.194 53.064 52.037 -0.277 0.000 0.623 252 A CB -0.792 17.909 19.000 -0.498 0.000 0.818 252 A HN 0.526 nan 8.150 nan 0.000 0.443 253 I N -1.484 119.109 120.570 0.039 0.000 2.252 253 I HA -0.253 3.917 4.170 0.000 0.000 0.245 253 I C 2.557 178.767 176.117 0.155 0.000 1.102 253 I CA 1.580 62.960 61.300 0.134 0.000 1.385 253 I CB -0.483 37.632 38.000 0.190 0.000 1.064 253 I HN 0.555 nan 8.210 nan 0.000 0.414 254 H N -0.105 118.985 119.070 0.034 0.000 2.357 254 H HA -0.167 4.389 4.556 0.000 0.000 0.301 254 H C 2.487 177.801 175.328 -0.024 0.000 1.082 254 H CA 1.688 57.749 56.048 0.022 0.000 1.342 254 H CB 0.319 30.083 29.762 0.004 0.000 1.389 254 H HN 0.227 nan 8.280 nan 0.000 0.511 255 S N 0.160 115.778 115.700 -0.135 0.000 2.356 255 S HA -0.099 4.371 4.470 0.000 0.000 0.223 255 S C 2.408 176.860 174.600 -0.247 0.000 1.032 255 S CA 1.027 59.092 58.200 -0.225 0.000 1.005 255 S CB -0.317 62.769 63.200 -0.190 0.000 0.867 255 S HN 0.422 nan 8.310 nan 0.000 0.449 256 L N 0.693 121.774 121.223 -0.237 0.000 2.083 256 L HA -0.088 4.252 4.340 0.000 0.000 0.209 256 L C 2.779 179.339 176.870 -0.517 0.000 1.083 256 L CA 1.503 56.099 54.840 -0.406 0.000 0.752 256 L CB -0.905 40.905 42.059 -0.415 0.000 0.899 256 L HN 0.348 nan 8.230 nan 0.000 0.433 257 T N -1.000 113.433 114.554 -0.202 0.000 2.701 257 T HA -0.144 4.206 4.350 0.000 0.000 0.263 257 T C 1.782 176.430 174.700 -0.087 0.000 1.040 257 T CA 1.153 63.258 62.100 0.009 0.000 1.147 257 T CB -0.069 68.886 68.868 0.146 0.000 0.865 257 T HN 0.274 nan 8.240 nan 0.000 0.426 258 E N 1.046 121.125 120.200 -0.201 0.000 2.152 258 E HA -0.005 4.346 4.350 0.000 0.000 0.192 258 E C 2.269 178.788 176.600 -0.136 0.000 0.983 258 E CA 0.854 57.144 56.400 -0.184 0.000 0.818 258 E CB -0.098 29.417 29.700 -0.308 0.000 0.758 258 E HN 0.464 nan 8.360 nan 0.000 0.467 259 R N -0.547 119.850 120.500 -0.172 0.000 2.265 259 R HA 0.133 4.473 4.340 0.000 0.000 0.194 259 R C 1.734 177.950 176.300 -0.139 0.000 0.931 259 R CA 0.213 56.233 56.100 -0.133 0.000 1.032 259 R CB 0.355 30.573 30.300 -0.137 0.000 0.980 259 R HN 0.030 nan 8.270 nan 0.000 0.497 260 L N -2.249 118.849 121.223 -0.209 0.000 2.678 260 L HA 0.196 4.536 4.340 0.000 0.000 0.187 260 L C 1.208 178.043 176.870 -0.059 0.000 1.073 260 L CA 0.714 55.438 54.840 -0.193 0.000 0.883 260 L CB -0.249 41.614 42.059 -0.326 0.000 1.501 260 L HN -0.148 nan 8.230 nan 0.000 0.488 261 Y N 0.820 121.126 120.300 0.010 0.000 2.181 261 Y HA -0.087 4.463 4.550 0.000 0.000 0.288 261 Y C 2.647 178.547 175.900 0.001 0.000 1.146 261 Y CA 1.672 59.788 58.100 0.028 0.000 1.164 261 Y CB -1.446 37.057 38.460 0.071 0.000 0.982 261 Y HN 0.210 nan 8.280 nan 0.000 0.515 262 V N -2.499 117.492 119.914 0.129 0.000 3.141 262 V HA 0.426 4.546 4.120 0.000 0.000 0.265 262 V C 0.983 177.082 176.094 0.008 0.000 1.126 262 V CA 0.899 63.233 62.300 0.058 0.000 1.141 262 V CB -0.921 30.922 31.823 0.034 0.000 0.743 262 V HN 0.456 nan 8.190 nan 0.000 0.492 263 G N -2.194 106.593 108.800 -0.022 0.000 2.369 263 G HA2 0.569 4.529 3.960 0.000 0.000 0.293 263 G HA3 0.569 4.529 3.960 0.000 0.000 0.293 263 G C -0.418 174.338 174.900 -0.239 0.000 1.301 263 G CA -0.161 44.868 45.100 -0.118 0.000 0.913 263 G HN 1.747 nan 8.290 nan 0.000 0.540 264 G N -1.012 107.395 108.800 -0.655 0.000 2.336 264 G HA2 0.697 4.657 3.960 0.000 0.000 0.300 264 G HA3 0.697 4.657 3.960 0.000 0.000 0.300 264 G C -3.466 170.733 174.900 -1.169 0.000 1.375 264 G CA 0.238 44.837 45.100 -0.835 0.000 0.885 264 G HN 0.930 nan 8.290 nan 0.000 0.599 265 P HA 0.410 nan 4.420 nan 0.000 0.275 265 P C -0.533 176.573 177.300 -0.323 0.000 1.227 265 P CA 0.020 62.861 63.100 -0.431 0.000 0.781 265 P CB 0.970 32.595 31.700 -0.126 0.000 0.906 266 M N 2.747 122.102 119.600 -0.408 0.000 2.456 266 M HA 0.498 4.978 4.480 0.000 0.000 0.324 266 M C -0.603 175.433 176.300 -0.440 0.000 1.124 266 M CA -0.547 54.601 55.300 -0.254 0.000 0.959 266 M CB 1.540 34.043 32.600 -0.162 0.000 1.692 266 M HN 0.177 nan 8.290 nan 0.000 0.444 267 F N 0.994 120.912 119.950 -0.054 0.000 2.563 267 F HA 0.440 4.967 4.527 0.000 0.000 0.316 267 F C 0.312 176.097 175.800 -0.025 0.000 1.076 267 F CA -1.037 56.946 58.000 -0.028 0.000 0.921 267 F CB 1.256 40.230 39.000 -0.043 0.000 1.209 267 F HN 0.595 nan 8.300 nan 0.000 0.462 268 N N -0.702 118.097 118.700 0.166 0.000 2.366 268 N HA 0.132 4.872 4.740 0.000 0.000 0.277 268 N C 0.869 176.434 175.510 0.092 0.000 1.275 268 N CA -0.043 53.070 53.050 0.105 0.000 0.964 268 N CB 0.023 38.561 38.487 0.084 0.000 1.167 268 N HN 0.533 nan 8.380 nan 0.000 0.568 269 S N -1.295 114.445 115.700 0.067 0.000 2.469 269 S HA -0.113 4.357 4.470 0.000 0.000 0.238 269 S C 1.018 175.642 174.600 0.039 0.000 0.998 269 S CA 0.706 58.937 58.200 0.052 0.000 0.957 269 S CB -0.463 62.771 63.200 0.056 0.000 0.764 269 S HN 0.610 nan 8.310 nan 0.000 0.514 270 K N 0.597 121.027 120.400 0.049 0.000 2.444 270 K HA 0.260 4.580 4.320 0.000 0.000 0.193 270 K C 1.319 177.944 176.600 0.041 0.000 1.024 270 K CA 0.395 56.706 56.287 0.039 0.000 1.077 270 K CB -0.116 32.409 32.500 0.042 0.000 0.833 270 K HN 0.556 nan 8.250 nan 0.000 0.517 271 G N 1.602 110.441 108.800 0.066 0.000 2.175 271 G HA2 -0.280 3.680 3.960 0.000 0.000 0.244 271 G HA3 -0.280 3.680 3.960 0.000 0.000 0.244 271 G C -0.241 174.780 174.900 0.201 0.000 0.982 271 G CA -0.204 44.935 45.100 0.065 0.000 0.641 271 G HN 0.340 nan 8.290 nan 0.000 0.527 272 Q N 0.679 120.598 119.800 0.198 0.000 2.293 272 Q HA 0.536 4.876 4.340 0.000 0.000 0.251 272 Q C 0.570 176.698 176.000 0.213 0.000 0.930 272 Q CA 0.149 56.068 55.803 0.194 0.000 0.893 272 Q CB 1.448 30.248 28.738 0.104 0.000 1.215 272 Q HN 0.250 nan 8.270 nan 0.000 0.425 273 S N 1.026 116.795 115.700 0.116 0.000 2.515 273 S HA -0.028 4.442 4.470 0.000 0.000 0.285 273 S C 0.566 175.082 174.600 -0.140 0.000 1.265 273 S CA -0.428 57.622 58.200 -0.250 0.000 1.079 273 S CB 0.143 63.236 63.200 -0.179 0.000 0.877 273 S HN 0.852 nan 8.310 nan 0.000 0.493 274 C N 4.470 123.655 119.300 -0.192 0.000 2.535 274 C HA 0.650 5.110 4.460 0.000 0.000 0.310 274 C C 1.194 176.218 174.990 0.057 0.000 1.344 274 C CA 0.752 59.778 59.018 0.012 0.000 1.831 274 C CB -0.974 26.815 27.740 0.082 0.000 2.284 274 C HN 1.042 nan 8.230 nan 0.000 0.523 275 G N -1.715 106.998 108.800 -0.145 0.000 2.325 275 G HA2 0.397 4.357 3.960 0.000 0.000 0.295 275 G HA3 0.397 4.357 3.960 0.000 0.000 0.295 275 G C -2.349 172.410 174.900 -0.235 0.000 1.274 275 G CA -0.293 44.671 45.100 -0.227 0.000 0.857 275 G HN 0.174 nan 8.290 nan 0.000 0.499 276 Y N 0.455 120.533 120.300 -0.369 0.000 2.442 276 Y HA 0.740 5.290 4.550 0.000 0.000 0.344 276 Y C 0.143 175.888 175.900 -0.259 0.000 0.976 276 Y CA -0.910 57.032 58.100 -0.263 0.000 1.040 276 Y CB 1.980 40.315 38.460 -0.210 0.000 1.228 276 Y HN 0.656 nan 8.280 nan 0.000 0.451 277 R N 4.910 125.181 120.500 -0.382 0.000 2.407 277 R HA 0.526 4.866 4.340 0.000 0.000 0.303 277 R C -0.668 175.480 176.300 -0.254 0.000 0.981 277 R CA -0.555 55.344 56.100 -0.334 0.000 0.905 277 R CB 0.871 31.023 30.300 -0.248 0.000 1.099 277 R HN 0.907 nan 8.270 nan 0.000 0.459 278 R N 3.276 123.586 120.500 -0.315 0.000 2.690 278 R HA 0.215 4.555 4.340 0.000 0.000 0.419 278 R C -0.639 175.515 176.300 -0.243 0.000 1.090 278 R CA -0.297 55.695 56.100 -0.179 0.000 1.064 278 R CB 0.421 30.651 30.300 -0.117 0.000 1.391 278 R HN 0.792 nan 8.270 nan 0.000 0.586 279 C N -2.093 117.020 119.300 -0.313 0.000 3.321 279 C HA 0.600 5.060 4.460 0.000 0.000 0.363 279 C C -0.329 174.589 174.990 -0.121 0.000 1.705 279 C CA -1.533 57.341 59.018 -0.240 0.000 1.298 279 C CB 1.134 28.657 27.740 -0.362 0.000 2.086 279 C HN 0.363 nan 8.230 nan 0.000 0.438 280 R N 1.251 121.731 120.500 -0.033 0.000 2.538 280 R HA 0.466 4.806 4.340 0.000 0.000 0.282 280 R C 0.080 176.435 176.300 0.091 0.000 1.009 280 R CA 0.970 57.106 56.100 0.060 0.000 1.063 280 R CB -0.083 30.293 30.300 0.128 0.000 0.945 280 R HN 1.217 nan 8.270 nan 0.000 0.414 281 A N 3.786 126.676 122.820 0.117 0.000 2.362 281 A HA 0.219 4.539 4.320 0.000 0.000 0.276 281 A C 0.941 178.625 177.584 0.167 0.000 1.153 281 A CA 0.005 52.131 52.037 0.149 0.000 0.813 281 A CB 0.405 19.506 19.000 0.169 0.000 1.081 281 A HN 1.010 nan 8.150 nan 0.000 0.507 282 S N 2.224 118.037 115.700 0.188 0.000 2.474 282 S HA 0.028 4.498 4.470 0.000 0.000 0.235 282 S C 1.081 175.781 174.600 0.167 0.000 0.997 282 S CA 0.826 59.134 58.200 0.181 0.000 0.949 282 S CB 0.075 63.391 63.200 0.194 0.000 0.766 282 S HN 1.238 nan 8.310 nan 0.000 0.517 283 G N 1.843 110.760 108.800 0.196 0.000 4.912 283 G HA2 0.526 4.486 3.960 0.000 0.000 0.307 283 G HA3 0.526 4.486 3.960 0.000 0.000 0.307 283 G C -0.244 174.776 174.900 0.200 0.000 1.381 283 G CA -0.251 44.967 45.100 0.196 0.000 1.057 283 G HN 0.491 nan 8.290 nan 0.000 0.593 284 V N -2.184 117.832 119.914 0.171 0.000 3.046 284 V HA 0.588 4.708 4.120 0.000 0.000 0.316 284 V C 1.381 177.545 176.094 0.117 0.000 1.104 284 V CA -0.961 61.459 62.300 0.199 0.000 1.006 284 V CB 1.723 33.736 31.823 0.315 0.000 1.058 284 V HN 0.102 nan 8.190 nan 0.000 0.440 285 L N 2.396 123.700 121.223 0.135 0.000 2.079 285 L HA -0.079 4.261 4.340 0.000 0.000 0.210 285 L C 2.363 179.222 176.870 -0.019 0.000 1.081 285 L CA 3.117 58.001 54.840 0.074 0.000 0.752 285 L CB -0.649 41.482 42.059 0.119 0.000 0.896 285 L HN 1.113 nan 8.230 nan 0.000 0.433 286 T N -5.803 108.671 114.554 -0.132 0.000 3.148 286 T HA -0.014 4.336 4.350 0.000 0.000 0.253 286 T C 1.561 176.200 174.700 -0.101 0.000 1.134 286 T CA 0.755 62.731 62.100 -0.207 0.000 1.051 286 T CB -0.751 67.821 68.868 -0.494 0.000 0.959 286 T HN 0.304 nan 8.240 nan 0.000 0.525 287 T N 1.829 116.359 114.554 -0.040 0.000 2.652 287 T HA -0.151 4.199 4.350 0.000 0.000 0.267 287 T C 2.192 176.924 174.700 0.053 0.000 1.039 287 T CA 1.781 63.899 62.100 0.030 0.000 1.153 287 T CB -0.671 68.236 68.868 0.065 0.000 0.863 287 T HN 0.529 nan 8.240 nan 0.000 0.428 288 S N 0.504 116.217 115.700 0.022 0.000 2.345 288 S HA -0.046 4.424 4.470 0.000 0.000 0.220 288 S C 2.156 176.821 174.600 0.108 0.000 1.031 288 S CA 1.572 59.795 58.200 0.039 0.000 0.996 288 S CB -0.439 62.689 63.200 -0.121 0.000 0.882 288 S HN 0.498 nan 8.310 nan 0.000 0.445 289 M N 0.852 120.490 119.600 0.063 0.000 2.080 289 M HA -0.041 4.439 4.480 0.000 0.000 0.260 289 M C 2.016 178.385 176.300 0.116 0.000 1.068 289 M CA 2.074 57.420 55.300 0.077 0.000 1.109 289 M CB -0.894 31.704 32.600 -0.004 0.000 1.342 289 M HN 0.417 nan 8.290 nan 0.000 0.405 290 G N 0.294 109.163 108.800 0.116 0.000 2.421 290 G HA2 -0.261 3.699 3.960 0.000 0.000 0.216 290 G HA3 -0.261 3.699 3.960 0.000 0.000 0.216 290 G C 1.193 176.198 174.900 0.175 0.000 1.171 290 G CA 1.153 46.338 45.100 0.143 0.000 0.775 290 G HN 0.470 nan 8.290 nan 0.000 0.543 291 N N 0.422 119.228 118.700 0.177 0.000 2.120 291 N HA -0.080 4.660 4.740 0.000 0.000 0.188 291 N C 2.412 177.982 175.510 0.100 0.000 1.024 291 N CA 1.614 54.773 53.050 0.182 0.000 0.852 291 N CB -0.819 37.680 38.487 0.021 0.000 1.003 291 N HN 0.244 nan 8.380 nan 0.000 0.424 292 T N 1.676 116.305 114.554 0.124 0.000 2.652 292 T HA -0.034 4.316 4.350 0.000 0.000 0.267 292 T C 2.084 176.880 174.700 0.159 0.000 1.039 292 T CA 0.932 63.118 62.100 0.143 0.000 1.153 292 T CB -0.277 68.735 68.868 0.241 0.000 0.863 292 T HN 0.183 nan 8.240 nan 0.000 0.428 293 I N 0.958 121.612 120.570 0.141 0.000 2.226 293 I HA -0.167 4.003 4.170 0.000 0.000 0.245 293 I C 2.711 178.946 176.117 0.196 0.000 1.100 293 I CA 1.152 62.537 61.300 0.142 0.000 1.374 293 I CB -0.662 37.392 38.000 0.088 0.000 1.057 293 I HN 0.247 nan 8.210 nan 0.000 0.413 294 T N -0.328 114.352 114.554 0.210 0.000 2.821 294 T HA -0.198 4.152 4.350 0.000 0.000 0.267 294 T C 2.042 176.936 174.700 0.323 0.000 1.046 294 T CA 1.318 63.565 62.100 0.246 0.000 1.139 294 T CB -0.418 68.619 68.868 0.282 0.000 0.871 294 T HN 0.502 nan 8.240 nan 0.000 0.454 295 C N 0.603 120.134 119.300 0.384 0.000 2.446 295 C HA -0.056 4.404 4.460 0.000 0.000 0.277 295 C C 2.359 177.509 174.990 0.267 0.000 1.275 295 C CA 0.348 59.591 59.018 0.374 0.000 1.727 295 C CB -1.386 26.450 27.740 0.160 0.000 2.010 295 C HN 0.640 nan 8.230 nan 0.000 0.486 296 Y N 1.446 121.812 120.300 0.110 0.000 2.145 296 Y HA -0.120 4.430 4.550 0.000 0.000 0.286 296 Y C 2.262 178.187 175.900 0.041 0.000 1.145 296 Y CA 2.369 60.511 58.100 0.071 0.000 1.148 296 Y CB -0.584 37.901 38.460 0.043 0.000 0.981 296 Y HN 0.210 nan 8.280 nan 0.000 0.507 297 V N 0.770 120.690 119.914 0.010 0.000 2.255 297 V HA -0.341 3.779 4.120 0.000 0.000 0.247 297 V C 2.265 178.228 176.094 -0.219 0.000 1.051 297 V CA 2.467 64.651 62.300 -0.193 0.000 1.018 297 V CB -0.692 31.014 31.823 -0.195 0.000 0.641 297 V HN 0.328 nan 8.190 nan 0.000 0.445 298 K N 0.328 120.698 120.400 -0.049 0.000 2.057 298 K HA -0.080 4.240 4.320 0.000 0.000 0.206 298 K C 2.329 178.945 176.600 0.027 0.000 1.050 298 K CA 1.452 57.729 56.287 -0.017 0.000 0.935 298 K CB -0.430 32.154 32.500 0.141 0.000 0.715 298 K HN 0.469 nan 8.250 nan 0.000 0.439 299 A N 1.570 124.413 122.820 0.039 0.000 1.898 299 A HA -0.115 4.205 4.320 0.000 0.000 0.216 299 A C 2.100 179.734 177.584 0.084 0.000 1.181 299 A CA 0.990 53.093 52.037 0.110 0.000 0.620 299 A CB -0.563 18.567 19.000 0.218 0.000 0.819 299 A HN 0.238 nan 8.150 nan 0.000 0.442 300 L N -0.745 120.397 121.223 -0.135 0.000 2.056 300 L HA -0.164 4.176 4.340 0.000 0.000 0.207 300 L C 2.909 179.749 176.870 -0.051 0.000 1.078 300 L CA 1.377 56.112 54.840 -0.175 0.000 0.749 300 L CB -0.420 41.355 42.059 -0.473 0.000 0.901 300 L HN 0.431 nan 8.230 nan 0.000 0.433 301 A N -0.336 122.449 122.820 -0.058 0.000 1.933 301 A HA -0.171 4.149 4.320 0.000 0.000 0.218 301 A C 2.412 180.069 177.584 0.122 0.000 1.175 301 A CA 1.600 53.673 52.037 0.060 0.000 0.628 301 A CB -0.726 18.281 19.000 0.012 0.000 0.814 301 A HN 0.541 nan 8.150 nan 0.000 0.444 302 A N -1.077 121.817 122.820 0.123 0.000 1.933 302 A HA -0.167 4.153 4.320 0.000 0.000 0.218 302 A C 2.296 179.897 177.584 0.028 0.000 1.175 302 A CA 1.636 53.626 52.037 -0.077 0.000 0.628 302 A CB -1.264 17.384 19.000 -0.588 0.000 0.814 302 A HN 0.583 nan 8.150 nan 0.000 0.444 303 C N -0.569 118.868 119.300 0.229 0.000 2.429 303 C HA -0.089 4.371 4.460 0.000 0.000 0.277 303 C C 2.764 177.800 174.990 0.076 0.000 1.262 303 C CA 1.375 60.553 59.018 0.268 0.000 1.733 303 C CB -0.985 26.880 27.740 0.209 0.000 2.010 303 C HN 0.615 nan 8.230 nan 0.000 0.483 304 K N 0.962 121.367 120.400 0.008 0.000 2.057 304 K HA -0.088 4.232 4.320 0.000 0.000 0.206 304 K C 2.218 178.627 176.600 -0.319 0.000 1.050 304 K CA 1.568 57.830 56.287 -0.041 0.000 0.935 304 K CB -0.343 32.218 32.500 0.103 0.000 0.715 304 K HN 0.467 nan 8.250 nan 0.000 0.439 305 A N 1.283 123.715 122.820 -0.646 0.000 2.015 305 A HA -0.051 4.269 4.320 0.000 0.000 0.219 305 A C 2.199 179.548 177.584 -0.392 0.000 1.163 305 A CA 1.723 53.163 52.037 -0.994 0.000 0.646 305 A CB -0.397 18.104 19.000 -0.831 0.000 0.806 305 A HN 0.330 nan 8.150 nan 0.000 0.448 306 A N -2.052 120.659 122.820 -0.182 0.000 2.195 306 A HA 0.429 4.749 4.320 0.000 0.000 0.210 306 A C 1.719 179.289 177.584 -0.023 0.000 1.165 306 A CA 1.150 53.153 52.037 -0.058 0.000 0.806 306 A CB -0.655 18.384 19.000 0.065 0.000 0.847 306 A HN 1.849 nan 8.150 nan 0.000 0.482 307 G N -0.411 108.373 108.800 -0.027 0.000 2.137 307 G HA2 -0.175 3.785 3.960 0.000 0.000 0.237 307 G HA3 -0.175 3.785 3.960 0.000 0.000 0.237 307 G C -0.030 174.885 174.900 0.025 0.000 1.002 307 G CA 0.028 45.130 45.100 0.003 0.000 0.702 307 G HN 0.293 nan 8.290 nan 0.000 0.515 308 I N 0.944 121.543 120.570 0.048 0.000 2.618 308 I HA 0.165 4.336 4.170 0.000 0.000 0.284 308 I C 1.075 177.217 176.117 0.043 0.000 1.146 308 I CA -0.173 61.162 61.300 0.060 0.000 1.425 308 I CB 0.983 39.047 38.000 0.106 0.000 1.383 308 I HN -0.075 nan 8.210 nan 0.000 0.562 309 V N 6.226 126.157 119.914 0.028 0.000 2.407 309 V HA 0.427 4.547 4.120 0.000 0.000 0.278 309 V C 0.836 176.932 176.094 0.004 0.000 1.037 309 V CA -0.605 61.704 62.300 0.015 0.000 0.900 309 V CB 0.937 32.764 31.823 0.005 0.000 0.983 309 V HN 0.993 nan 8.190 nan 0.000 0.459 310 A N 5.711 128.535 122.820 0.007 0.000 2.610 310 A HA -0.094 4.226 4.320 0.000 0.000 0.299 310 A C -1.602 175.979 177.584 -0.004 0.000 1.487 310 A CA 0.203 52.239 52.037 -0.001 0.000 0.743 310 A CB -1.623 17.365 19.000 -0.020 0.000 1.070 310 A HN 0.661 nan 8.150 nan 0.000 0.439 311 P HA 0.344 nan 4.420 nan 0.000 0.276 311 P C -0.235 177.079 177.300 0.024 0.000 1.230 311 P CA 0.418 63.524 63.100 0.010 0.000 0.776 311 P CB 1.062 32.779 31.700 0.028 0.000 0.888 312 T N 4.813 119.375 114.554 0.013 0.000 2.791 312 T HA 0.467 4.817 4.350 0.000 0.000 0.288 312 T C 0.267 175.029 174.700 0.104 0.000 0.999 312 T CA -0.347 61.790 62.100 0.062 0.000 0.952 312 T CB 0.384 69.241 68.868 -0.017 0.000 0.938 312 T HN 0.303 nan 8.240 nan 0.000 0.444 313 M N 3.161 122.872 119.600 0.186 0.000 2.537 313 M HA 0.625 5.105 4.480 0.000 0.000 0.324 313 M C -1.064 175.374 176.300 0.230 0.000 1.187 313 M CA -1.130 54.270 55.300 0.166 0.000 0.993 313 M CB 1.779 34.483 32.600 0.173 0.000 1.666 313 M HN 0.301 nan 8.290 nan 0.000 0.461 314 L N 2.729 124.023 121.223 0.118 0.000 2.406 314 L HA 0.584 4.924 4.340 0.000 0.000 0.270 314 L C -1.483 175.348 176.870 -0.064 0.000 0.982 314 L CA -0.439 54.393 54.840 -0.013 0.000 0.843 314 L CB 1.644 43.717 42.059 0.022 0.000 1.225 314 L HN 0.471 nan 8.230 nan 0.000 0.412 315 V N 4.013 123.869 119.914 -0.097 0.000 2.448 315 V HA 0.471 4.592 4.120 0.000 0.000 0.295 315 V C -0.527 175.404 176.094 -0.271 0.000 1.025 315 V CA -0.442 61.804 62.300 -0.090 0.000 0.859 315 V CB 1.512 33.372 31.823 0.062 0.000 0.988 315 V HN 0.846 nan 8.190 nan 0.000 0.431 316 C N 4.949 124.039 119.300 -0.351 0.000 2.653 316 C HA 0.751 5.211 4.460 0.000 0.000 0.291 316 C C 1.260 176.108 174.990 -0.236 0.000 1.064 316 C CA 0.021 58.607 59.018 -0.719 0.000 1.469 316 C CB -0.438 26.751 27.740 -0.920 0.000 1.861 316 C HN 1.365 nan 8.230 nan 0.000 0.434 317 G N 4.277 113.126 108.800 0.081 0.000 2.591 317 G HA2 -0.306 3.654 3.960 0.000 0.000 0.298 317 G HA3 -0.306 3.654 3.960 0.000 0.000 0.298 317 G C 0.805 175.585 174.900 -0.200 0.000 1.195 317 G CA 0.918 46.078 45.100 0.100 0.000 0.989 317 G HN 0.715 nan 8.290 nan 0.000 0.551 318 D N 1.320 121.514 120.400 -0.345 0.000 2.340 318 D HA 0.074 4.714 4.640 0.000 0.000 0.220 318 D C 0.398 176.554 176.300 -0.241 0.000 1.039 318 D CA 0.797 54.380 54.000 -0.694 0.000 0.866 318 D CB -0.144 40.217 40.800 -0.732 0.000 0.913 318 D HN 0.451 nan 8.370 nan 0.000 0.523 319 D N 0.683 121.005 120.400 -0.130 0.000 2.277 319 D HA 0.287 4.927 4.640 0.000 0.000 0.249 319 D C -0.949 175.327 176.300 -0.040 0.000 1.134 319 D CA -0.487 53.478 54.000 -0.058 0.000 0.863 319 D CB 1.221 41.970 40.800 -0.085 0.000 1.143 319 D HN 0.051 nan 8.370 nan 0.000 0.458 320 L N 4.509 125.754 121.223 0.036 0.000 2.410 320 L HA 0.461 4.801 4.340 0.000 0.000 0.270 320 L C -1.690 175.170 176.870 -0.015 0.000 0.983 320 L CA -0.562 54.305 54.840 0.045 0.000 0.822 320 L CB 2.022 44.180 42.059 0.165 0.000 1.285 320 L HN 0.123 nan 8.230 nan 0.000 0.409 321 V N 5.222 125.085 119.914 -0.085 0.000 2.588 321 V HA 0.669 4.789 4.120 0.000 0.000 0.304 321 V C -0.880 175.055 176.094 -0.266 0.000 1.042 321 V CA -0.644 61.550 62.300 -0.175 0.000 0.877 321 V CB 2.171 33.941 31.823 -0.088 0.000 0.996 321 V HN 0.523 nan 8.190 nan 0.000 0.425 322 V N 6.047 125.617 119.914 -0.572 0.000 2.483 322 V HA 0.542 4.662 4.120 0.000 0.000 0.297 322 V C -0.450 175.418 176.094 -0.377 0.000 1.027 322 V CA -0.364 61.603 62.300 -0.555 0.000 0.855 322 V CB 1.824 33.061 31.823 -0.977 0.000 0.995 322 V HN 0.692 nan 8.190 nan 0.000 0.424 323 I N 4.853 125.340 120.570 -0.138 0.000 2.378 323 I HA 0.685 4.855 4.170 0.000 0.000 0.291 323 I C 0.302 176.377 176.117 -0.069 0.000 0.992 323 I CA 0.149 61.425 61.300 -0.041 0.000 1.154 323 I CB 1.936 39.966 38.000 0.051 0.000 1.315 323 I HN 0.825 nan 8.210 nan 0.000 0.448 324 S N 4.319 119.973 115.700 -0.076 0.000 2.819 324 S HA 0.491 4.961 4.470 0.000 0.000 0.299 324 S C -0.953 173.585 174.600 -0.104 0.000 1.192 324 S CA -1.047 57.112 58.200 -0.068 0.000 0.847 324 S CB 1.774 64.968 63.200 -0.010 0.000 1.224 324 S HN 0.411 nan 8.310 nan 0.000 0.537 325 E N 1.966 122.124 120.200 -0.071 0.000 2.180 325 E HA 0.291 4.641 4.350 0.000 0.000 0.283 325 E C -0.235 176.345 176.600 -0.033 0.000 1.061 325 E CA 0.006 56.361 56.400 -0.074 0.000 0.861 325 E CB 1.454 31.122 29.700 -0.054 0.000 1.056 325 E HN 0.564 nan 8.360 nan 0.000 0.407 326 S N 2.836 118.522 115.700 -0.023 0.000 2.560 326 S HA -0.024 4.446 4.470 0.000 0.000 0.284 326 S C 0.640 175.256 174.600 0.025 0.000 1.327 326 S CA -0.105 58.125 58.200 0.050 0.000 1.055 326 S CB 0.397 63.678 63.200 0.134 0.000 0.868 326 S HN 0.286 nan 8.310 nan 0.000 0.506 327 Q N 2.420 122.242 119.800 0.037 0.000 2.172 327 Q HA 0.312 4.652 4.340 0.000 0.000 0.217 327 Q C 0.706 176.715 176.000 0.015 0.000 0.832 327 Q CA 0.498 56.311 55.803 0.016 0.000 1.010 327 Q CB 0.409 29.156 28.738 0.014 0.000 1.133 327 Q HN 1.032 nan 8.270 nan 0.000 0.489 328 G N -0.199 108.615 108.800 0.024 0.000 2.617 328 G HA2 -0.200 3.760 3.960 0.000 0.000 0.686 328 G HA3 -0.200 3.760 3.960 0.000 0.000 0.686 328 G C 0.502 175.421 174.900 0.031 0.000 1.214 328 G CA -0.280 44.821 45.100 0.001 0.000 0.796 328 G HN -0.015 nan 8.290 nan 0.000 0.654 329 T N 0.751 115.300 114.554 -0.008 0.000 2.607 329 T HA -0.139 4.211 4.350 0.000 0.000 0.267 329 T C 2.216 176.947 174.700 0.051 0.000 1.049 329 T CA 2.496 64.616 62.100 0.033 0.000 1.162 329 T CB -0.252 68.594 68.868 -0.037 0.000 0.863 329 T HN 0.609 nan 8.240 nan 0.000 0.424 330 E N 0.702 120.913 120.200 0.018 0.000 2.077 330 E HA -0.074 4.276 4.350 0.000 0.000 0.193 330 E C 2.412 179.020 176.600 0.014 0.000 0.989 330 E CA 0.787 57.195 56.400 0.014 0.000 0.800 330 E CB -0.251 29.450 29.700 0.003 0.000 0.746 330 E HN 0.327 nan 8.360 nan 0.000 0.452 331 E N 0.614 120.822 120.200 0.015 0.000 2.051 331 E HA -0.172 4.178 4.350 0.000 0.000 0.192 331 E C 1.588 178.195 176.600 0.013 0.000 0.991 331 E CA 1.020 57.427 56.400 0.011 0.000 0.799 331 E CB -0.160 29.547 29.700 0.011 0.000 0.748 331 E HN 0.257 nan 8.360 nan 0.000 0.449 332 D N 0.730 121.152 120.400 0.035 0.000 2.104 332 D HA -0.169 4.471 4.640 0.000 0.000 0.194 332 D C 1.832 178.121 176.300 -0.018 0.000 0.994 332 D CA 1.037 55.055 54.000 0.030 0.000 0.830 332 D CB -0.197 40.672 40.800 0.114 0.000 0.959 332 D HN 0.357 nan 8.370 nan 0.000 0.452 333 E N 0.223 120.426 120.200 0.005 0.000 2.106 333 E HA -0.149 4.201 4.350 0.000 0.000 0.192 333 E C 2.194 178.775 176.600 -0.032 0.000 0.984 333 E CA 0.385 56.773 56.400 -0.020 0.000 0.806 333 E CB 0.043 29.747 29.700 0.006 0.000 0.750 333 E HN 0.180 nan 8.360 nan 0.000 0.458 334 R N 1.151 121.640 120.500 -0.019 0.000 2.066 334 R HA -0.100 4.241 4.340 0.000 0.000 0.232 334 R C 1.850 178.134 176.300 -0.026 0.000 1.131 334 R CA 1.638 57.728 56.100 -0.018 0.000 0.955 334 R CB -0.084 30.211 30.300 -0.009 0.000 0.851 334 R HN 0.170 nan 8.270 nan 0.000 0.432 335 N N 0.128 118.810 118.700 -0.031 0.000 2.166 335 N HA -0.153 4.587 4.740 0.000 0.000 0.186 335 N C 1.595 177.071 175.510 -0.056 0.000 1.019 335 N CA 0.640 53.672 53.050 -0.031 0.000 0.856 335 N CB 0.032 38.504 38.487 -0.025 0.000 0.993 335 N HN 0.150 nan 8.380 nan 0.000 0.426 336 L N 1.402 122.543 121.223 -0.137 0.000 2.093 336 L HA -0.060 4.280 4.340 0.000 0.000 0.208 336 L C 2.197 179.036 176.870 -0.053 0.000 1.085 336 L CA 1.388 56.084 54.840 -0.241 0.000 0.755 336 L CB -0.685 41.154 42.059 -0.367 0.000 0.904 336 L HN 0.208 nan 8.230 nan 0.000 0.435 337 R N -0.639 119.842 120.500 -0.031 0.000 2.075 337 R HA -0.092 4.248 4.340 0.000 0.000 0.232 337 R C 2.254 178.558 176.300 0.006 0.000 1.126 337 R CA 1.249 57.350 56.100 0.001 0.000 0.963 337 R CB -0.242 30.051 30.300 -0.011 0.000 0.858 337 R HN 0.311 nan 8.270 nan 0.000 0.435 338 A N 0.820 123.638 122.820 -0.004 0.000 1.930 338 A HA -0.186 4.134 4.320 0.000 0.000 0.217 338 A C 1.938 179.502 177.584 -0.034 0.000 1.175 338 A CA 1.017 53.037 52.037 -0.028 0.000 0.627 338 A CB -0.593 18.389 19.000 -0.030 0.000 0.815 338 A HN 0.371 nan 8.150 nan 0.000 0.443 339 F N 1.333 121.205 119.950 -0.129 0.000 2.102 339 F HA -0.162 4.365 4.527 0.000 0.000 0.298 339 F C 2.435 178.148 175.800 -0.145 0.000 1.105 339 F CA 2.321 60.238 58.000 -0.137 0.000 1.239 339 F CB -0.589 38.324 39.000 -0.145 0.000 0.991 339 F HN 0.198 nan 8.300 nan 0.000 0.474 340 T N 0.099 114.704 114.554 0.085 0.000 2.746 340 T HA -0.205 4.145 4.350 0.000 0.000 0.267 340 T C 1.703 176.359 174.700 -0.073 0.000 1.039 340 T CA 1.835 63.993 62.100 0.097 0.000 1.142 340 T CB -0.350 68.655 68.868 0.228 0.000 0.866 340 T HN 0.392 nan 8.240 nan 0.000 0.444 341 E N 0.845 120.985 120.200 -0.100 0.000 2.110 341 E HA -0.059 4.291 4.350 0.000 0.000 0.193 341 E C 2.502 178.943 176.600 -0.265 0.000 0.988 341 E CA 0.991 57.308 56.400 -0.139 0.000 0.804 341 E CB -0.189 29.446 29.700 -0.110 0.000 0.745 341 E HN 0.485 nan 8.360 nan 0.000 0.458 342 A N 1.016 123.609 122.820 -0.378 0.000 1.873 342 A HA -0.161 4.159 4.320 0.000 0.000 0.215 342 A C 2.130 179.240 177.584 -0.789 0.000 1.186 342 A CA 1.110 52.772 52.037 -0.624 0.000 0.616 342 A CB -0.279 18.383 19.000 -0.564 0.000 0.823 342 A HN 0.112 nan 8.150 nan 0.000 0.442 343 M N -0.043 119.200 119.600 -0.596 0.000 2.149 343 M HA -0.120 4.360 4.480 0.000 0.000 0.261 343 M C 2.146 178.345 176.300 -0.167 0.000 1.064 343 M CA 1.993 57.071 55.300 -0.370 0.000 1.102 343 M CB -1.890 30.373 32.600 -0.560 0.000 1.369 343 M HN 0.457 nan 8.290 nan 0.000 0.408 344 T N 0.005 114.462 114.554 -0.161 0.000 2.777 344 T HA -0.103 4.248 4.350 0.000 0.000 0.266 344 T C 1.957 176.589 174.700 -0.114 0.000 1.040 344 T CA 1.090 63.144 62.100 -0.077 0.000 1.141 344 T CB -0.156 68.676 68.868 -0.059 0.000 0.868 344 T HN 0.391 nan 8.240 nan 0.000 0.444 345 R N 0.091 120.451 120.500 -0.233 0.000 2.120 345 R HA -0.057 4.283 4.340 0.000 0.000 0.234 345 R C 1.703 177.937 176.300 -0.110 0.000 1.123 345 R CA 1.115 57.089 56.100 -0.211 0.000 0.975 345 R CB -0.313 29.798 30.300 -0.316 0.000 0.866 345 R HN 0.435 nan 8.270 nan 0.000 0.446 346 Y N 0.267 120.511 120.300 -0.094 0.000 2.553 346 Y HA 0.077 4.627 4.550 0.000 0.000 0.303 346 Y C 0.777 176.625 175.900 -0.087 0.000 1.194 346 Y CA -0.242 57.792 58.100 -0.111 0.000 1.305 346 Y CB -0.294 38.120 38.460 -0.076 0.000 1.045 346 Y HN -0.034 nan 8.280 nan 0.000 0.514 347 S N -0.034 115.704 115.700 0.062 0.000 3.963 347 S HA -0.034 4.436 4.470 0.000 0.000 0.438 347 S C -0.116 174.500 174.600 0.025 0.000 0.879 347 S CA 0.429 58.652 58.200 0.038 0.000 1.262 347 S CB -1.409 61.804 63.200 0.021 0.000 0.850 347 S HN 0.846 nan 8.310 nan 0.000 0.570 348 A N 2.277 125.129 122.820 0.054 0.000 3.426 348 A HA 0.536 4.856 4.320 0.000 0.000 0.222 348 A C -2.297 175.407 177.584 0.201 0.000 1.090 348 A CA -0.378 51.719 52.037 0.101 0.000 1.026 348 A CB 0.810 19.898 19.000 0.147 0.000 1.342 348 A HN 0.475 nan 8.150 nan 0.000 0.695 349 P HA 0.274 nan 4.420 nan 0.000 0.270 349 P C -2.889 174.473 177.300 0.104 0.000 1.223 349 P CA -0.760 62.397 63.100 0.095 0.000 0.785 349 P CB 0.508 32.193 31.700 -0.025 0.000 0.923 350 P HA 0.136 nan 4.420 nan 0.000 0.284 350 P C 0.646 177.874 177.300 -0.120 0.000 1.258 350 P CA -0.097 62.899 63.100 -0.174 0.000 0.824 350 P CB 1.161 32.718 31.700 -0.239 0.000 1.038 351 G N 1.706 110.426 108.800 -0.133 0.000 2.471 351 G HA2 0.008 3.968 3.960 0.000 0.000 0.211 351 G HA3 0.008 3.968 3.960 0.000 0.000 0.211 351 G C -0.065 174.789 174.900 -0.077 0.000 1.194 351 G CA 0.325 45.379 45.100 -0.078 0.000 0.816 351 G HN 0.466 nan 8.290 nan 0.000 0.545 352 D N 1.468 121.813 120.400 -0.093 0.000 2.344 352 D HA 0.330 4.970 4.640 0.000 0.000 0.239 352 D C -2.379 173.871 176.300 -0.083 0.000 1.064 352 D CA -1.128 52.832 54.000 -0.067 0.000 0.829 352 D CB 2.054 42.828 40.800 -0.045 0.000 1.129 352 D HN 0.089 nan 8.370 nan 0.000 0.506 353 P HA 0.074 nan 4.420 nan 0.000 0.264 353 P C -2.378 174.916 177.300 -0.010 0.000 1.183 353 P CA -0.767 62.319 63.100 -0.024 0.000 0.763 353 P CB -0.081 31.614 31.700 -0.007 0.000 0.807 354 P HA 0.251 nan 4.420 nan 0.000 0.274 354 P C -0.482 176.808 177.300 -0.018 0.000 1.231 354 P CA -0.229 62.902 63.100 0.050 0.000 0.790 354 P CB 0.957 32.749 31.700 0.153 0.000 0.951 355 R N 1.268 121.770 120.500 0.003 0.000 2.673 355 R HA 0.638 4.978 4.340 0.000 0.000 0.281 355 R C -2.811 173.476 176.300 -0.021 0.000 0.991 355 R CA -2.242 53.845 56.100 -0.022 0.000 0.896 355 R CB 1.209 31.513 30.300 0.007 0.000 1.201 355 R HN 0.223 nan 8.270 nan 0.000 0.457 356 P HA 0.092 nan 4.420 nan 0.000 0.271 356 P C -0.998 176.147 177.300 -0.258 0.000 1.216 356 P CA 0.035 63.034 63.100 -0.168 0.000 0.771 356 P CB 0.994 32.588 31.700 -0.177 0.000 0.864 357 E N 2.158 122.153 120.200 -0.341 0.000 2.238 357 E HA 0.232 4.582 4.350 0.000 0.000 0.267 357 E C -0.580 175.815 176.600 -0.341 0.000 0.887 357 E CA -0.479 55.786 56.400 -0.223 0.000 0.769 357 E CB 1.516 31.180 29.700 -0.060 0.000 1.187 357 E HN 0.465 nan 8.360 nan 0.000 0.416 358 Y N -0.185 120.238 120.300 0.204 0.000 2.641 358 Y HA 0.190 4.740 4.550 0.000 0.000 0.248 358 Y C 0.209 176.308 175.900 0.332 0.000 1.170 358 Y CA -0.418 57.873 58.100 0.318 0.000 1.201 358 Y CB 1.118 39.680 38.460 0.170 0.000 1.232 358 Y HN 0.241 nan 8.280 nan 0.000 0.537 359 D N 0.663 121.173 120.400 0.184 0.000 2.549 359 D HA 0.107 4.747 4.640 0.000 0.000 0.251 359 D C 0.609 176.685 176.300 -0.374 0.000 1.153 359 D CA -0.282 53.699 54.000 -0.032 0.000 0.861 359 D CB 1.932 42.711 40.800 -0.035 0.000 1.207 359 D HN 0.158 nan 8.370 nan 0.000 0.543 360 L N 4.426 125.166 121.223 -0.805 0.000 2.079 360 L HA -0.086 4.254 4.340 0.000 0.000 0.210 360 L C 1.870 178.440 176.870 -0.501 0.000 1.081 360 L CA 1.937 56.171 54.840 -1.009 0.000 0.752 360 L CB -0.398 40.873 42.059 -1.314 0.000 0.896 360 L HN 0.614 nan 8.230 nan 0.000 0.433 361 E N -1.150 118.839 120.200 -0.351 0.000 2.265 361 E HA -0.201 4.149 4.350 0.000 0.000 0.196 361 E C 1.549 178.009 176.600 -0.234 0.000 0.996 361 E CA 0.687 56.942 56.400 -0.242 0.000 0.832 361 E CB 0.054 29.635 29.700 -0.198 0.000 0.756 361 E HN 0.413 nan 8.360 nan 0.000 0.491 362 L N 0.583 121.655 121.223 -0.252 0.000 2.592 362 L HA 0.226 4.566 4.340 0.000 0.000 0.227 362 L C 0.395 177.191 176.870 -0.122 0.000 1.127 362 L CA 0.357 55.083 54.840 -0.189 0.000 0.884 362 L CB 0.210 42.165 42.059 -0.174 0.000 1.065 362 L HN 0.065 nan 8.230 nan 0.000 0.457 363 I N -0.125 120.350 120.570 -0.159 0.000 2.352 363 I HA 0.104 4.274 4.170 0.000 0.000 0.290 363 I C 0.102 176.172 176.117 -0.079 0.000 1.036 363 I CA 0.084 61.314 61.300 -0.116 0.000 1.336 363 I CB 0.852 38.755 38.000 -0.160 0.000 1.407 363 I HN -0.026 nan 8.210 nan 0.000 0.497 364 T N 4.809 119.339 114.554 -0.040 0.000 2.749 364 T HA 0.233 4.583 4.350 0.000 0.000 0.287 364 T C -0.081 174.608 174.700 -0.019 0.000 0.970 364 T CA -0.417 61.671 62.100 -0.019 0.000 0.980 364 T CB 1.009 69.877 68.868 0.000 0.000 0.924 364 T HN 0.582 nan 8.240 nan 0.000 0.456 365 S N 2.101 117.789 115.700 -0.021 0.000 2.596 365 S HA 0.343 4.813 4.470 0.000 0.000 0.318 365 S C 0.437 175.018 174.600 -0.032 0.000 1.097 365 S CA -0.550 57.628 58.200 -0.037 0.000 1.080 365 S CB -0.278 62.891 63.200 -0.052 0.000 0.991 365 S HN 0.966 nan 8.310 nan 0.000 0.471 366 C N 3.792 123.070 119.300 -0.036 0.000 4.350 366 C HA -0.161 4.299 4.460 0.000 0.000 0.302 366 C C 1.299 176.314 174.990 0.041 0.000 1.390 366 C CA 0.687 59.692 59.018 -0.021 0.000 2.016 366 C CB -3.259 24.428 27.740 -0.088 0.000 1.271 366 C HN 1.392 nan 8.230 nan 0.000 0.760 367 S N -1.948 113.775 115.700 0.039 0.000 3.146 367 S HA -0.203 4.267 4.470 0.000 0.000 0.285 367 S C 0.356 174.994 174.600 0.062 0.000 1.293 367 S CA 1.409 59.638 58.200 0.049 0.000 1.137 367 S CB -0.773 62.465 63.200 0.064 0.000 1.357 367 S HN 1.023 nan 8.310 nan 0.000 0.678 368 S N 1.981 117.729 115.700 0.081 0.000 2.648 368 S HA 0.784 5.254 4.470 0.000 0.000 0.305 368 S C -0.228 174.407 174.600 0.059 0.000 1.094 368 S CA -0.834 57.441 58.200 0.124 0.000 0.983 368 S CB 1.716 65.059 63.200 0.238 0.000 1.101 368 S HN 0.615 nan 8.310 nan 0.000 0.514 369 N N -0.836 117.898 118.700 0.056 0.000 2.610 369 N HA 0.410 5.150 4.740 0.000 0.000 0.264 369 N C -1.709 173.769 175.510 -0.052 0.000 1.348 369 N CA -0.605 52.437 53.050 -0.014 0.000 0.819 369 N CB 1.029 39.502 38.487 -0.024 0.000 1.521 369 N HN 0.326 nan 8.380 nan 0.000 0.497 370 V N 0.390 120.237 119.914 -0.111 0.000 2.607 370 V HA 0.512 4.633 4.120 0.000 0.000 0.289 370 V C 0.417 176.400 176.094 -0.186 0.000 1.053 370 V CA -0.091 62.119 62.300 -0.151 0.000 0.996 370 V CB 0.991 32.727 31.823 -0.145 0.000 0.995 370 V HN 0.854 nan 8.190 nan 0.000 0.476 371 S N 2.628 118.131 115.700 -0.328 0.000 2.720 371 S HA 0.828 5.298 4.470 0.000 0.000 0.287 371 S C -1.345 173.126 174.600 -0.215 0.000 1.168 371 S CA -0.433 57.601 58.200 -0.276 0.000 0.832 371 S CB 2.068 65.074 63.200 -0.324 0.000 1.166 371 S HN 0.690 nan 8.310 nan 0.000 0.493 372 V N 0.717 120.608 119.914 -0.039 0.000 3.007 372 V HA 1.005 5.125 4.120 0.000 0.000 0.311 372 V C -0.443 175.657 176.094 0.011 0.000 1.120 372 V CA 0.301 62.534 62.300 -0.112 0.000 0.980 372 V CB 1.453 33.055 31.823 -0.367 0.000 1.033 372 V HN 1.378 nan 8.190 nan 0.000 0.429 373 A N 4.752 127.480 122.820 -0.154 0.000 2.535 373 A HA 0.904 5.225 4.320 0.000 0.000 0.296 373 A C -1.856 175.484 177.584 -0.408 0.000 1.248 373 A CA -0.785 51.044 52.037 -0.346 0.000 0.686 373 A CB 1.381 19.983 19.000 -0.664 0.000 1.315 373 A HN 0.860 nan 8.150 nan 0.000 0.460 374 L N 0.513 121.399 121.223 -0.561 0.000 2.334 374 L HA 0.645 4.986 4.340 0.000 0.000 0.276 374 L C 0.857 177.461 176.870 -0.444 0.000 1.014 374 L CA -0.791 53.740 54.840 -0.515 0.000 0.815 374 L CB 1.841 43.519 42.059 -0.636 0.000 1.268 374 L HN 0.941 nan 8.230 nan 0.000 0.428 375 G N 1.033 109.719 108.800 -0.190 0.000 2.557 375 G HA2 0.342 4.302 3.960 0.000 0.000 0.292 375 G HA3 0.342 4.302 3.960 0.000 0.000 0.292 375 G C -1.687 173.280 174.900 0.111 0.000 1.237 375 G CA -0.920 44.152 45.100 -0.046 0.000 0.978 375 G HN 0.494 nan 8.290 nan 0.000 0.498 376 P HA -0.128 nan 4.420 nan 0.000 0.223 376 P C 0.978 178.322 177.300 0.073 0.000 1.144 376 P CA 1.124 64.282 63.100 0.096 0.000 0.783 376 P CB 0.314 32.047 31.700 0.055 0.000 0.771 377 Q N -1.137 118.698 119.800 0.060 0.000 2.282 377 Q HA 0.199 4.539 4.340 0.000 0.000 0.206 377 Q C 1.245 177.271 176.000 0.043 0.000 0.878 377 Q CA 0.764 56.591 55.803 0.040 0.000 0.944 377 Q CB -0.753 28.000 28.738 0.025 0.000 1.100 377 Q HN 0.249 nan 8.270 nan 0.000 0.509 378 G N 1.526 110.367 108.800 0.067 0.000 2.159 378 G HA2 -0.337 3.623 3.960 0.000 0.000 0.256 378 G HA3 -0.337 3.623 3.960 0.000 0.000 0.256 378 G C 0.007 174.897 174.900 -0.017 0.000 0.977 378 G CA 0.310 45.435 45.100 0.043 0.000 0.652 378 G HN 0.497 nan 8.290 nan 0.000 0.531 379 R N 0.387 120.871 120.500 -0.027 0.000 2.457 379 R HA 0.600 4.940 4.340 0.000 0.000 0.284 379 R C 0.730 176.969 176.300 -0.101 0.000 1.024 379 R CA -0.844 55.230 56.100 -0.044 0.000 1.025 379 R CB 0.466 30.756 30.300 -0.017 0.000 1.063 379 R HN 0.265 nan 8.270 nan 0.000 0.493 380 R N 2.725 123.157 120.500 -0.113 0.000 2.489 380 R HA 0.143 4.483 4.340 0.000 0.000 0.287 380 R C -0.358 175.792 176.300 -0.250 0.000 1.053 380 R CA 0.041 56.006 56.100 -0.224 0.000 1.036 380 R CB 0.551 30.716 30.300 -0.225 0.000 0.966 380 R HN 0.358 nan 8.270 nan 0.000 0.432 381 R N 3.039 123.329 120.500 -0.350 0.000 2.575 381 R HA 0.274 4.614 4.340 0.000 0.000 0.293 381 R C -1.101 175.026 176.300 -0.288 0.000 0.983 381 R CA -0.920 55.049 56.100 -0.219 0.000 0.887 381 R CB 1.249 31.477 30.300 -0.120 0.000 1.184 381 R HN 0.500 nan 8.270 nan 0.000 0.445 382 Y N 2.510 122.855 120.300 0.075 0.000 2.352 382 Y HA 0.480 5.030 4.550 0.000 0.000 0.326 382 Y C 0.337 176.343 175.900 0.177 0.000 1.166 382 Y CA -0.411 57.738 58.100 0.082 0.000 1.182 382 Y CB 1.283 39.737 38.460 -0.011 0.000 1.216 382 Y HN 0.565 nan 8.280 nan 0.000 0.474 383 Y N -0.172 120.216 120.300 0.147 0.000 2.656 383 Y HA 0.660 5.210 4.550 0.000 0.000 0.334 383 Y C -2.275 173.708 175.900 0.139 0.000 1.179 383 Y CA -1.756 56.413 58.100 0.115 0.000 1.050 383 Y CB 0.761 39.259 38.460 0.064 0.000 1.308 383 Y HN 0.480 nan 8.280 nan 0.000 0.456 384 L N 2.176 123.494 121.223 0.160 0.000 2.312 384 L HA 0.775 5.115 4.340 0.000 0.000 0.281 384 L C 0.007 177.103 176.870 0.377 0.000 1.070 384 L CA 0.464 55.393 54.840 0.148 0.000 0.805 384 L CB 1.486 43.651 42.059 0.177 0.000 1.174 384 L HN 1.023 nan 8.230 nan 0.000 0.434 385 T N 4.157 118.890 114.554 0.298 0.000 2.696 385 T HA 0.870 5.221 4.350 0.000 0.000 0.291 385 T C -1.327 173.490 174.700 0.195 0.000 1.095 385 T CA -0.526 61.808 62.100 0.390 0.000 1.026 385 T CB 1.132 70.221 68.868 0.369 0.000 1.390 385 T HN 0.869 nan 8.240 nan 0.000 0.513 386 R N 0.391 120.925 120.500 0.056 0.000 2.741 386 R HA 0.433 4.774 4.340 0.000 0.000 0.276 386 R C -1.621 174.491 176.300 -0.313 0.000 1.028 386 R CA -1.003 55.024 56.100 -0.122 0.000 0.865 386 R CB 0.249 30.424 30.300 -0.209 0.000 1.268 386 R HN 0.545 nan 8.270 nan 0.000 0.475 387 D N 1.846 122.066 120.400 -0.300 0.000 2.458 387 D HA 0.055 4.695 4.640 0.000 0.000 0.243 387 D C -1.379 174.526 176.300 -0.659 0.000 1.146 387 D CA -1.252 52.515 54.000 -0.389 0.000 0.877 387 D CB 1.278 41.940 40.800 -0.231 0.000 1.176 387 D HN 0.374 nan 8.370 nan 0.000 0.461 388 P HA 0.009 nan 4.420 nan 0.000 0.255 388 P C 1.100 178.059 177.300 -0.569 0.000 1.248 388 P CA 0.084 62.480 63.100 -1.172 0.000 0.807 388 P CB 0.372 31.188 31.700 -1.472 0.000 1.150 389 T N 0.108 114.445 114.554 -0.362 0.000 2.607 389 T HA -0.136 4.214 4.350 0.000 0.000 0.267 389 T C 1.791 176.408 174.700 -0.138 0.000 1.049 389 T CA 2.470 64.456 62.100 -0.190 0.000 1.162 389 T CB -1.137 67.665 68.868 -0.111 0.000 0.863 389 T HN 0.200 nan 8.240 nan 0.000 0.424 390 T N 2.411 116.888 114.554 -0.129 0.000 2.737 390 T HA -0.051 4.300 4.350 0.000 0.000 0.265 390 T C -0.597 174.039 174.700 -0.107 0.000 1.038 390 T CA 1.165 63.206 62.100 -0.098 0.000 1.144 390 T CB -1.178 67.656 68.868 -0.056 0.000 0.866 390 T HN 0.390 nan 8.240 nan 0.000 0.434 391 P HA 0.027 nan 4.420 nan 0.000 0.217 391 P C 1.513 178.835 177.300 0.038 0.000 1.150 391 P CA 1.027 64.120 63.100 -0.012 0.000 0.832 391 P CB -0.217 31.481 31.700 -0.003 0.000 0.787 392 I N -0.324 120.217 120.570 -0.048 0.000 2.353 392 I HA -0.177 3.993 4.170 0.000 0.000 0.248 392 I C 2.520 178.640 176.117 0.004 0.000 1.119 392 I CA 1.253 62.540 61.300 -0.022 0.000 1.417 392 I CB -0.764 37.182 38.000 -0.089 0.000 1.078 392 I HN -0.107 nan 8.210 nan 0.000 0.421 393 A N 0.988 123.803 122.820 -0.007 0.000 1.902 393 A HA -0.189 4.131 4.320 0.000 0.000 0.217 393 A C 2.389 180.016 177.584 0.072 0.000 1.181 393 A CA 1.440 53.495 52.037 0.030 0.000 0.623 393 A CB -0.507 18.492 19.000 -0.002 0.000 0.818 393 A HN 0.316 nan 8.150 nan 0.000 0.443 394 R N -0.662 119.857 120.500 0.031 0.000 2.090 394 R HA 0.015 4.356 4.340 0.000 0.000 0.228 394 R C 2.441 178.875 176.300 0.224 0.000 1.110 394 R CA 0.997 57.139 56.100 0.070 0.000 0.973 394 R CB -0.396 29.894 30.300 -0.015 0.000 0.869 394 R HN 0.502 nan 8.270 nan 0.000 0.440 395 A N 1.329 124.294 122.820 0.242 0.000 1.933 395 A HA -0.101 4.219 4.320 0.000 0.000 0.218 395 A C 2.344 180.076 177.584 0.247 0.000 1.175 395 A CA 1.641 53.903 52.037 0.376 0.000 0.628 395 A CB -0.514 18.721 19.000 0.392 0.000 0.814 395 A HN 0.382 nan 8.150 nan 0.000 0.444 396 A N -1.247 121.648 122.820 0.124 0.000 1.873 396 A HA -0.167 4.153 4.320 0.000 0.000 0.215 396 A C 2.103 179.791 177.584 0.173 0.000 1.186 396 A CA 1.383 53.465 52.037 0.074 0.000 0.616 396 A CB -0.874 18.162 19.000 0.059 0.000 0.823 396 A HN 0.829 nan 8.150 nan 0.000 0.442 397 W N 1.096 122.431 121.300 0.058 0.000 2.358 397 W HA -0.143 4.517 4.660 0.000 0.000 0.303 397 W C 1.563 178.140 176.519 0.097 0.000 1.208 397 W CA 1.933 59.316 57.345 0.064 0.000 1.274 397 W CB -0.363 29.118 29.460 0.035 0.000 1.138 397 W HN 0.541 nan 8.180 nan 0.000 0.515 398 E N -0.789 119.680 120.200 0.450 0.000 2.418 398 E HA -0.117 4.233 4.350 0.000 0.000 0.197 398 E C 1.934 178.715 176.600 0.302 0.000 1.026 398 E CA 1.319 57.951 56.400 0.386 0.000 0.862 398 E CB -0.007 29.960 29.700 0.444 0.000 0.799 398 E HN 0.094 nan 8.360 nan 0.000 0.518 399 T N -0.075 114.624 114.554 0.241 0.000 2.942 399 T HA -0.078 4.272 4.350 0.000 0.000 0.265 399 T C 1.997 176.757 174.700 0.100 0.000 1.062 399 T CA 1.224 63.429 62.100 0.175 0.000 1.139 399 T CB 0.215 69.166 68.868 0.139 0.000 0.883 399 T HN 0.189 nan 8.240 nan 0.000 0.468 400 V N -2.135 117.802 119.914 0.038 0.000 3.431 400 V HA 0.438 4.558 4.120 0.000 0.000 0.253 400 V C 0.550 176.623 176.094 -0.036 0.000 1.184 400 V CA 0.008 62.289 62.300 -0.032 0.000 1.104 400 V CB -0.062 31.688 31.823 -0.122 0.000 0.799 400 V HN 0.036 nan 8.190 nan 0.000 0.462 401 R N 1.596 122.091 120.500 -0.008 0.000 2.412 401 R HA 0.372 4.712 4.340 0.000 0.000 0.304 401 R C -0.808 175.618 176.300 0.210 0.000 1.066 401 R CA -0.426 55.712 56.100 0.065 0.000 0.923 401 R CB 0.402 30.692 30.300 -0.017 0.000 1.156 401 R HN 0.552 nan 8.270 nan 0.000 0.513 402 H N 2.359 121.505 119.070 0.127 0.000 2.929 402 H HA 0.085 4.641 4.556 0.000 0.000 0.317 402 H C -0.620 174.789 175.328 0.135 0.000 1.031 402 H CA 0.520 56.657 56.048 0.148 0.000 1.466 402 H CB 0.703 30.532 29.762 0.112 0.000 1.482 402 H HN 0.505 nan 8.280 nan 0.000 0.561 403 S N 4.751 120.278 115.700 -0.288 0.000 2.449 403 S HA 0.268 4.738 4.470 0.000 0.000 0.310 403 S C -2.011 172.363 174.600 -0.376 0.000 1.096 403 S CA -1.477 56.621 58.200 -0.169 0.000 1.095 403 S CB 2.253 65.426 63.200 -0.044 0.000 1.007 403 S HN 0.429 nan 8.310 nan 0.000 0.474 404 P HA -0.069 nan 4.420 nan 0.000 0.216 404 P C -0.264 176.877 177.300 -0.265 0.000 1.150 404 P CA 0.916 63.810 63.100 -0.344 0.000 0.843 404 P CB 0.099 31.287 31.700 -0.853 0.000 0.787 405 V N 1.158 120.953 119.914 -0.198 0.000 2.325 405 V HA 0.179 4.299 4.120 0.000 0.000 0.280 405 V C 0.368 176.412 176.094 -0.082 0.000 1.016 405 V CA -1.045 61.194 62.300 -0.101 0.000 0.818 405 V CB 0.865 32.646 31.823 -0.071 0.000 1.019 405 V HN 0.151 nan 8.190 nan 0.000 0.434 406 N N 2.836 121.479 118.700 -0.095 0.000 2.405 406 N HA 0.263 5.003 4.740 0.000 0.000 0.269 406 N C 0.783 176.246 175.510 -0.078 0.000 1.249 406 N CA 0.068 53.059 53.050 -0.098 0.000 0.974 406 N CB 1.799 40.157 38.487 -0.214 0.000 1.204 406 N HN 0.500 nan 8.380 nan 0.000 0.565 407 S N -1.854 113.816 115.700 -0.050 0.000 2.593 407 S HA 0.014 4.484 4.470 0.000 0.000 0.235 407 S C 1.669 176.259 174.600 -0.016 0.000 1.059 407 S CA -0.706 57.498 58.200 0.006 0.000 0.953 407 S CB -0.637 62.599 63.200 0.060 0.000 0.897 407 S HN 0.835 nan 8.310 nan 0.000 0.507 408 W N 1.747 123.001 121.300 -0.077 0.000 2.363 408 W HA 0.031 4.691 4.660 0.000 0.000 0.296 408 W C 1.431 177.787 176.519 -0.271 0.000 1.212 408 W CA 0.363 57.615 57.345 -0.155 0.000 1.260 408 W CB -0.952 28.277 29.460 -0.385 0.000 1.131 408 W HN 0.354 nan 8.180 nan 0.000 0.530 409 L N 2.916 123.436 121.223 -1.172 0.000 2.141 409 L HA 0.144 4.484 4.340 0.000 0.000 0.209 409 L C 2.570 178.880 176.870 -0.934 0.000 1.094 409 L CA 2.493 56.588 54.840 -1.242 0.000 0.763 409 L CB -1.322 39.685 42.059 -1.754 0.000 0.908 409 L HN 0.054 nan 8.230 nan 0.000 0.437 410 G N -0.870 107.524 108.800 -0.677 0.000 2.408 410 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 410 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 410 G C 1.471 176.340 174.900 -0.050 0.000 1.150 410 G CA 0.563 45.505 45.100 -0.264 0.000 0.776 410 G HN 0.413 nan 8.290 nan 0.000 0.542 411 N N 0.631 119.376 118.700 0.074 0.000 2.188 411 N HA -0.008 4.732 4.740 0.000 0.000 0.184 411 N C 2.254 177.878 175.510 0.190 0.000 1.018 411 N CA 0.612 53.847 53.050 0.308 0.000 0.858 411 N CB -0.140 38.608 38.487 0.436 0.000 0.989 411 N HN 0.315 nan 8.380 nan 0.000 0.426 412 I N 0.963 121.572 120.570 0.066 0.000 2.226 412 I HA -0.226 3.944 4.170 0.000 0.000 0.245 412 I C 2.040 178.141 176.117 -0.027 0.000 1.100 412 I CA 0.932 62.246 61.300 0.023 0.000 1.374 412 I CB -0.118 37.930 38.000 0.080 0.000 1.057 412 I HN 0.055 nan 8.210 nan 0.000 0.413 413 I N 0.101 120.630 120.570 -0.067 0.000 2.233 413 I HA -0.300 3.870 4.170 0.000 0.000 0.243 413 I C 2.682 178.856 176.117 0.095 0.000 1.093 413 I CA 1.331 62.637 61.300 0.009 0.000 1.380 413 I CB -0.341 37.635 38.000 -0.039 0.000 1.067 413 I HN 0.297 nan 8.210 nan 0.000 0.413 414 Q N 0.571 120.365 119.800 -0.010 0.000 2.119 414 Q HA -0.184 4.156 4.340 0.000 0.000 0.201 414 Q C 0.768 176.559 176.000 -0.348 0.000 0.972 414 Q CA 1.672 57.382 55.803 -0.154 0.000 0.847 414 Q CB 0.102 28.645 28.738 -0.325 0.000 0.903 414 Q HN 0.582 nan 8.270 nan 0.000 0.433 415 Y N -1.064 119.220 120.300 -0.027 0.000 2.734 415 Y HA 0.437 4.987 4.550 0.000 0.000 0.278 415 Y C 1.298 176.929 175.900 -0.447 0.000 1.108 415 Y CA -0.179 57.792 58.100 -0.213 0.000 1.211 415 Y CB 0.273 38.554 38.460 -0.299 0.000 1.182 415 Y HN 0.189 nan 8.280 nan 0.000 0.547 416 A N 1.761 124.360 122.820 -0.367 0.000 1.927 416 A HA -0.188 4.132 4.320 0.000 0.000 0.220 416 A C -0.219 177.106 177.584 -0.433 0.000 1.185 416 A CA 1.779 53.585 52.037 -0.385 0.000 0.639 416 A CB -1.443 17.341 19.000 -0.360 0.000 0.820 416 A HN 0.295 nan 8.150 nan 0.000 0.451 417 P HA 0.009 nan 4.420 nan 0.000 0.241 417 P C 0.566 177.593 177.300 -0.456 0.000 1.191 417 P CA 1.198 64.038 63.100 -0.433 0.000 0.771 417 P CB -0.717 30.742 31.700 -0.402 0.000 0.929 418 T N -2.538 111.742 114.554 -0.456 0.000 2.898 418 T HA 0.168 4.518 4.350 0.000 0.000 0.301 418 T C 1.324 175.619 174.700 -0.675 0.000 1.049 418 T CA -0.622 61.161 62.100 -0.528 0.000 1.095 418 T CB 0.822 69.253 68.868 -0.728 0.000 0.976 418 T HN -0.121 nan 8.240 nan 0.000 0.539 419 I N 1.524 121.593 120.570 -0.834 0.000 2.394 419 I HA -0.031 4.139 4.170 0.000 0.000 0.251 419 I C 2.025 177.844 176.117 -0.497 0.000 1.136 419 I CA 0.959 61.767 61.300 -0.821 0.000 1.425 419 I CB -0.128 37.188 38.000 -1.139 0.000 1.079 419 I HN 0.867 nan 8.210 nan 0.000 0.425 420 W N -0.307 120.766 121.300 -0.379 0.000 2.476 420 W HA -0.001 4.659 4.660 0.000 0.000 0.281 420 W C 1.828 178.197 176.519 -0.251 0.000 1.230 420 W CA 0.467 57.627 57.345 -0.307 0.000 1.287 420 W CB -1.510 27.800 29.460 -0.250 0.000 1.108 420 W HN -0.067 nan 8.180 nan 0.000 0.567 421 V N 2.472 121.954 119.914 -0.719 0.000 2.323 421 V HA -0.219 3.901 4.120 0.000 0.000 0.244 421 V C 2.900 178.835 176.094 -0.265 0.000 1.041 421 V CA 1.964 63.973 62.300 -0.485 0.000 1.025 421 V CB -0.673 30.758 31.823 -0.654 0.000 0.656 421 V HN 0.052 nan 8.190 nan 0.000 0.451 422 R N -0.572 119.702 120.500 -0.376 0.000 2.075 422 R HA -0.064 4.276 4.340 0.000 0.000 0.232 422 R C 2.219 178.350 176.300 -0.281 0.000 1.126 422 R CA 1.548 57.450 56.100 -0.331 0.000 0.963 422 R CB -0.309 29.666 30.300 -0.542 0.000 0.858 422 R HN 0.447 nan 8.270 nan 0.000 0.435 423 M N -0.349 118.969 119.600 -0.471 0.000 2.357 423 M HA -0.041 4.439 4.480 0.000 0.000 0.266 423 M C 2.032 178.289 176.300 -0.071 0.000 1.095 423 M CA 1.005 56.123 55.300 -0.303 0.000 1.156 423 M CB 0.310 32.652 32.600 -0.430 0.000 1.365 423 M HN -0.048 nan 8.290 nan 0.000 0.447 424 V N 0.109 119.810 119.914 -0.353 0.000 2.502 424 V HA -0.043 4.077 4.120 0.000 0.000 0.234 424 V C 2.174 178.023 176.094 -0.408 0.000 1.072 424 V CA 0.717 62.516 62.300 -0.836 0.000 1.094 424 V CB -0.617 30.665 31.823 -0.902 0.000 0.761 424 V HN 0.342 nan 8.190 nan 0.000 0.489 425 L N -0.533 120.630 121.223 -0.100 0.000 2.012 425 L HA -0.233 4.107 4.340 0.000 0.000 0.210 425 L C 2.625 179.716 176.870 0.368 0.000 1.073 425 L CA 1.955 56.907 54.840 0.188 0.000 0.748 425 L CB -0.550 41.697 42.059 0.314 0.000 0.891 425 L HN 0.340 nan 8.230 nan 0.000 0.431 426 M N -0.893 118.914 119.600 0.346 0.000 2.086 426 M HA -0.173 4.307 4.480 0.000 0.000 0.261 426 M C 2.326 179.106 176.300 0.800 0.000 1.067 426 M CA 1.985 57.627 55.300 0.570 0.000 1.116 426 M CB -0.704 32.094 32.600 0.331 0.000 1.348 426 M HN 0.255 nan 8.290 nan 0.000 0.407 427 T N -0.925 114.059 114.554 0.717 0.000 2.684 427 T HA -0.224 4.126 4.350 0.000 0.000 0.267 427 T C 1.748 176.727 174.700 0.465 0.000 1.036 427 T CA 1.527 64.038 62.100 0.685 0.000 1.148 427 T CB -0.632 68.672 68.868 0.727 0.000 0.863 427 T HN 0.471 nan 8.240 nan 0.000 0.436 428 H N 0.060 119.270 119.070 0.234 0.000 2.270 428 H HA -0.077 4.479 4.556 0.000 0.000 0.299 428 H C 2.093 177.308 175.328 -0.188 0.000 1.077 428 H CA 1.712 57.766 56.048 0.010 0.000 1.294 428 H CB -0.359 29.236 29.762 -0.278 0.000 1.371 428 H HN 0.343 nan 8.280 nan 0.000 0.491 429 F N -0.081 119.835 119.950 -0.057 0.000 2.186 429 F HA -0.104 4.423 4.527 0.000 0.000 0.299 429 F C 2.505 178.162 175.800 -0.239 0.000 1.090 429 F CA 0.690 58.481 58.000 -0.347 0.000 1.307 429 F CB -0.718 37.928 39.000 -0.591 0.000 1.019 429 F HN 0.107 nan 8.300 nan 0.000 0.489 430 F N -0.626 119.450 119.950 0.210 0.000 2.293 430 F HA -0.165 4.362 4.527 0.000 0.000 0.300 430 F C 2.712 178.546 175.800 0.058 0.000 1.086 430 F CA 1.409 59.522 58.000 0.188 0.000 1.375 430 F CB -0.861 38.324 39.000 0.308 0.000 1.045 430 F HN -0.081 nan 8.300 nan 0.000 0.516 431 S N 0.306 116.089 115.700 0.139 0.000 2.355 431 S HA -0.143 4.327 4.470 0.000 0.000 0.222 431 S C 2.167 176.737 174.600 -0.049 0.000 1.031 431 S CA 1.284 59.496 58.200 0.021 0.000 0.993 431 S CB -0.428 62.761 63.200 -0.017 0.000 0.859 431 S HN 0.318 nan 8.310 nan 0.000 0.453 432 I N 1.290 121.763 120.570 -0.162 0.000 2.226 432 I HA -0.158 4.012 4.170 0.000 0.000 0.245 432 I C 2.235 178.319 176.117 -0.056 0.000 1.100 432 I CA 1.041 62.241 61.300 -0.165 0.000 1.374 432 I CB -0.330 37.478 38.000 -0.320 0.000 1.057 432 I HN 0.320 nan 8.210 nan 0.000 0.413 433 L N -0.363 120.844 121.223 -0.027 0.000 2.083 433 L HA -0.242 4.099 4.340 0.000 0.000 0.209 433 L C 2.645 179.545 176.870 0.051 0.000 1.083 433 L CA 1.411 56.266 54.840 0.024 0.000 0.752 433 L CB -0.384 41.672 42.059 -0.005 0.000 0.899 433 L HN 0.298 nan 8.230 nan 0.000 0.433 434 M N -0.936 118.704 119.600 0.067 0.000 2.132 434 M HA -0.160 4.320 4.480 0.000 0.000 0.263 434 M C 2.500 178.820 176.300 0.034 0.000 1.065 434 M CA 1.732 57.074 55.300 0.070 0.000 1.122 434 M CB -0.365 32.282 32.600 0.078 0.000 1.365 434 M HN 0.319 nan 8.290 nan 0.000 0.411 435 A N -0.119 122.708 122.820 0.012 0.000 1.933 435 A HA -0.197 4.123 4.320 0.000 0.000 0.218 435 A C 1.918 179.506 177.584 0.007 0.000 1.175 435 A CA 1.458 53.495 52.037 -0.001 0.000 0.628 435 A CB -0.592 18.395 19.000 -0.022 0.000 0.814 435 A HN 0.574 nan 8.150 nan 0.000 0.444 436 Q N -1.744 118.065 119.800 0.014 0.000 2.311 436 Q HA -0.043 4.297 4.340 0.000 0.000 0.203 436 Q C -0.185 175.835 176.000 0.033 0.000 0.954 436 Q CA 0.502 56.320 55.803 0.024 0.000 0.885 436 Q CB 0.222 28.982 28.738 0.037 0.000 0.963 436 Q HN 0.641 nan 8.270 nan 0.000 0.471 437 D N 0.588 121.012 120.400 0.040 0.000 2.716 437 D HA -0.118 4.522 4.640 0.000 0.000 0.239 437 D C -0.451 175.883 176.300 0.055 0.000 1.125 437 D CA 1.258 55.286 54.000 0.046 0.000 0.681 437 D CB -1.009 39.812 40.800 0.035 0.000 1.070 437 D HN 0.461 nan 8.370 nan 0.000 0.432 438 T N -2.530 112.064 114.554 0.067 0.000 3.339 438 T HA 0.326 4.676 4.350 0.000 0.000 0.292 438 T C 2.158 176.913 174.700 0.092 0.000 1.012 438 T CA -0.324 61.823 62.100 0.079 0.000 0.937 438 T CB -0.137 68.784 68.868 0.088 0.000 1.164 438 T HN 0.185 nan 8.240 nan 0.000 0.509 439 L N 1.787 123.067 121.223 0.095 0.000 2.043 439 L HA -0.121 4.219 4.340 0.000 0.000 0.212 439 L C 2.339 179.276 176.870 0.112 0.000 1.075 439 L CA 2.256 57.163 54.840 0.112 0.000 0.752 439 L CB -0.486 41.667 42.059 0.155 0.000 0.891 439 L HN 0.506 nan 8.230 nan 0.000 0.432 440 D N -1.727 118.733 120.400 0.100 0.000 2.355 440 D HA -0.122 4.518 4.640 0.000 0.000 0.218 440 D C 1.120 177.474 176.300 0.089 0.000 1.004 440 D CA -0.030 54.025 54.000 0.092 0.000 0.880 440 D CB -0.186 40.660 40.800 0.077 0.000 0.911 440 D HN 0.261 nan 8.370 nan 0.000 0.528 441 Q N 0.634 120.491 119.800 0.094 0.000 2.297 441 Q HA 0.083 4.423 4.340 0.000 0.000 0.267 441 Q C -0.756 175.310 176.000 0.111 0.000 1.006 441 Q CA -0.432 55.430 55.803 0.099 0.000 0.896 441 Q CB 0.402 29.204 28.738 0.105 0.000 1.186 441 Q HN 0.051 nan 8.270 nan 0.000 0.392 442 N N 3.173 121.940 118.700 0.111 0.000 2.513 442 N HA 0.279 5.019 4.740 0.000 0.000 0.268 442 N C -1.094 174.502 175.510 0.144 0.000 1.180 442 N CA 0.191 53.317 53.050 0.126 0.000 0.948 442 N CB 0.592 39.154 38.487 0.126 0.000 1.083 442 N HN 0.439 nan 8.380 nan 0.000 0.455 443 L N 1.762 123.075 121.223 0.149 0.000 2.354 443 L HA 0.495 4.835 4.340 0.000 0.000 0.269 443 L C -0.323 176.667 176.870 0.199 0.000 1.005 443 L CA -1.122 53.806 54.840 0.147 0.000 0.819 443 L CB 1.654 43.747 42.059 0.057 0.000 1.311 443 L HN 0.435 nan 8.230 nan 0.000 0.423 444 N N 2.355 121.151 118.700 0.159 0.000 2.498 444 N HA 0.633 5.373 4.740 0.000 0.000 0.287 444 N C -0.960 174.612 175.510 0.103 0.000 1.097 444 N CA -0.064 53.060 53.050 0.123 0.000 0.973 444 N CB 1.715 40.282 38.487 0.134 0.000 1.153 444 N HN 0.430 nan 8.380 nan 0.000 0.472 445 F N -1.623 118.290 119.950 -0.061 0.000 2.686 445 F HA 0.540 5.067 4.527 0.000 0.000 0.311 445 F C -0.620 175.157 175.800 -0.038 0.000 1.128 445 F CA -1.393 56.525 58.000 -0.136 0.000 0.946 445 F CB 1.046 39.876 39.000 -0.284 0.000 1.336 445 F HN 0.305 nan 8.300 nan 0.000 0.457 446 E N 2.313 122.574 120.200 0.102 0.000 2.202 446 E HA 0.675 5.025 4.350 0.000 0.000 0.272 446 E C -1.261 175.456 176.600 0.196 0.000 0.951 446 E CA -0.935 55.505 56.400 0.066 0.000 0.813 446 E CB 2.511 32.239 29.700 0.047 0.000 1.151 446 E HN 0.951 nan 8.360 nan 0.000 0.398 447 M N 4.006 123.710 119.600 0.173 0.000 2.274 447 M HA 0.255 4.735 4.480 0.000 0.000 0.272 447 M C -1.486 174.994 176.300 0.299 0.000 1.053 447 M CA -0.346 55.056 55.300 0.171 0.000 0.978 447 M CB 1.011 33.547 32.600 -0.107 0.000 1.836 447 M HN 0.852 nan 8.290 nan 0.000 0.484 448 Y N 2.646 123.033 120.300 0.144 0.000 4.272 448 Y HA -0.281 4.269 4.550 0.000 0.000 0.232 448 Y C 1.148 177.074 175.900 0.044 0.000 1.149 448 Y CA 0.710 58.909 58.100 0.165 0.000 1.961 448 Y CB -1.743 36.847 38.460 0.217 0.000 1.611 448 Y HN 1.189 nan 8.280 nan 0.000 0.682 449 G N -0.110 108.802 108.800 0.187 0.000 2.184 449 G HA2 -0.340 3.620 3.960 0.000 0.000 0.264 449 G HA3 -0.340 3.620 3.960 0.000 0.000 0.264 449 G C 0.096 175.006 174.900 0.016 0.000 0.975 449 G CA 0.621 45.763 45.100 0.071 0.000 0.642 449 G HN 0.754 nan 8.290 nan 0.000 0.536 450 S N -1.160 114.559 115.700 0.032 0.000 2.638 450 S HA 0.720 5.190 4.470 0.000 0.000 0.298 450 S C 0.218 174.700 174.600 -0.197 0.000 1.111 450 S CA -0.182 57.955 58.200 -0.105 0.000 1.027 450 S CB 1.811 64.908 63.200 -0.171 0.000 1.064 450 S HN 0.817 nan 8.310 nan 0.000 0.525 451 V N 4.340 124.053 119.914 -0.334 0.000 2.439 451 V HA 0.489 4.609 4.120 0.000 0.000 0.282 451 V C -1.069 174.598 176.094 -0.713 0.000 1.039 451 V CA -0.261 61.847 62.300 -0.321 0.000 0.913 451 V CB 0.313 32.112 31.823 -0.040 0.000 0.983 451 V HN 0.870 nan 8.190 nan 0.000 0.460 452 Y N 1.629 121.489 120.300 -0.733 0.000 2.662 452 Y HA 0.706 5.256 4.550 0.000 0.000 0.335 452 Y C 0.323 175.774 175.900 -0.749 0.000 1.066 452 Y CA -0.834 56.717 58.100 -0.915 0.000 1.116 452 Y CB 2.283 39.954 38.460 -1.315 0.000 1.308 452 Y HN 0.504 nan 8.280 nan 0.000 0.502 453 S N 0.907 116.477 115.700 -0.217 0.000 2.668 453 S HA 0.762 5.232 4.470 0.000 0.000 0.277 453 S C -1.995 172.743 174.600 0.231 0.000 1.170 453 S CA -0.437 57.800 58.200 0.061 0.000 0.994 453 S CB 1.004 64.272 63.200 0.114 0.000 1.051 453 S HN 0.549 nan 8.310 nan 0.000 0.484 454 V N 2.998 123.118 119.914 0.343 0.000 3.232 454 V HA 0.762 4.882 4.120 0.000 0.000 0.303 454 V C -0.644 175.554 176.094 0.172 0.000 1.311 454 V CA -0.556 61.907 62.300 0.272 0.000 1.061 454 V CB 2.478 34.517 31.823 0.359 0.000 1.085 454 V HN 0.854 nan 8.190 nan 0.000 0.447 455 S N 3.533 119.308 115.700 0.125 0.000 2.442 455 S HA 0.529 4.999 4.470 0.000 0.000 0.297 455 S C -1.579 173.077 174.600 0.092 0.000 1.131 455 S CA -1.340 56.920 58.200 0.100 0.000 1.092 455 S CB 1.745 65.002 63.200 0.095 0.000 0.998 455 S HN 0.660 nan 8.310 nan 0.000 0.478 456 P HA -0.107 nan 4.420 nan 0.000 0.221 456 P C 1.333 178.769 177.300 0.227 0.000 1.145 456 P CA 0.538 63.693 63.100 0.092 0.000 0.795 456 P CB 0.103 31.784 31.700 -0.032 0.000 0.775 457 L N 0.257 121.596 121.223 0.193 0.000 2.362 457 L HA -0.059 4.282 4.340 0.000 0.000 0.219 457 L C 1.324 178.279 176.870 0.142 0.000 1.134 457 L CA 1.773 56.735 54.840 0.204 0.000 0.807 457 L CB -1.142 41.005 42.059 0.146 0.000 0.927 457 L HN -0.130 nan 8.230 nan 0.000 0.447 458 D N -1.746 118.724 120.400 0.118 0.000 2.363 458 D HA 0.082 4.722 4.640 0.000 0.000 0.214 458 D C 2.164 178.514 176.300 0.083 0.000 1.093 458 D CA 0.110 54.153 54.000 0.072 0.000 0.837 458 D CB 0.353 41.183 40.800 0.051 0.000 0.948 458 D HN 0.245 nan 8.370 nan 0.000 0.507 459 L N 1.560 122.869 121.223 0.143 0.000 2.046 459 L HA -0.112 4.228 4.340 0.000 0.000 0.208 459 L C -0.368 176.602 176.870 0.167 0.000 1.077 459 L CA 1.438 56.378 54.840 0.166 0.000 0.747 459 L CB -1.443 40.775 42.059 0.265 0.000 0.896 459 L HN 0.068 nan 8.230 nan 0.000 0.432 460 P HA -0.201 nan 4.420 nan 0.000 0.216 460 P C 1.319 178.695 177.300 0.127 0.000 1.150 460 P CA 2.043 65.205 63.100 0.103 0.000 0.837 460 P CB 0.043 31.607 31.700 -0.226 0.000 0.786 461 A N -0.068 122.760 122.820 0.014 0.000 1.898 461 A HA -0.108 4.212 4.320 0.000 0.000 0.216 461 A C 2.388 179.976 177.584 0.008 0.000 1.181 461 A CA 1.204 53.234 52.037 -0.011 0.000 0.620 461 A CB -1.492 17.480 19.000 -0.047 0.000 0.819 461 A HN 0.098 nan 8.150 nan 0.000 0.442 462 I N -0.245 120.333 120.570 0.013 0.000 2.226 462 I HA -0.262 3.908 4.170 0.000 0.000 0.245 462 I C 2.289 178.434 176.117 0.047 0.000 1.100 462 I CA 1.336 62.625 61.300 -0.019 0.000 1.374 462 I CB -0.329 37.676 38.000 0.008 0.000 1.057 462 I HN 0.305 nan 8.210 nan 0.000 0.413 463 I N 0.440 121.090 120.570 0.133 0.000 2.202 463 I HA -0.283 3.887 4.170 0.000 0.000 0.242 463 I C 2.648 178.789 176.117 0.041 0.000 1.091 463 I CA 1.439 62.829 61.300 0.151 0.000 1.368 463 I CB -0.428 37.661 38.000 0.149 0.000 1.058 463 I HN 0.293 nan 8.210 nan 0.000 0.410 464 E N 1.236 121.483 120.200 0.079 0.000 2.077 464 E HA -0.309 4.041 4.350 0.000 0.000 0.193 464 E C 2.293 178.895 176.600 0.003 0.000 0.989 464 E CA 1.330 57.753 56.400 0.039 0.000 0.800 464 E CB 0.040 29.846 29.700 0.178 0.000 0.746 464 E HN 0.184 nan 8.360 nan 0.000 0.452 465 R N 0.552 121.047 120.500 -0.009 0.000 2.075 465 R HA -0.052 4.288 4.340 0.000 0.000 0.232 465 R C 2.180 178.439 176.300 -0.068 0.000 1.126 465 R CA 1.366 57.439 56.100 -0.045 0.000 0.963 465 R CB -0.441 29.809 30.300 -0.083 0.000 0.858 465 R HN 0.279 nan 8.270 nan 0.000 0.435 466 L N -1.524 119.644 121.223 -0.091 0.000 2.162 466 L HA 0.030 4.370 4.340 0.000 0.000 0.205 466 L C 1.492 178.137 176.870 -0.374 0.000 1.086 466 L CA 1.232 55.946 54.840 -0.210 0.000 0.778 466 L CB -0.134 41.778 42.059 -0.245 0.000 0.928 466 L HN 0.340 nan 8.230 nan 0.000 0.446 467 H N -1.291 117.742 119.070 -0.061 0.000 2.885 467 H HA 0.384 4.940 4.556 0.000 0.000 0.260 467 H C 0.728 175.988 175.328 -0.113 0.000 0.985 467 H CA 0.350 56.344 56.048 -0.090 0.000 1.210 467 H CB 0.838 30.517 29.762 -0.137 0.000 1.466 467 H HN 0.263 nan 8.280 nan 0.000 0.493 468 G N 0.362 109.147 108.800 -0.024 0.000 2.699 468 G HA2 -0.227 3.733 3.960 0.000 0.000 0.686 468 G HA3 -0.227 3.733 3.960 0.000 0.000 0.686 468 G C 0.473 175.307 174.900 -0.111 0.000 1.301 468 G CA -0.289 44.789 45.100 -0.036 0.000 0.816 468 G HN 0.217 nan 8.290 nan 0.000 0.595 469 L N 0.207 121.424 121.223 -0.010 0.000 2.261 469 L HA -0.079 4.261 4.340 0.000 0.000 0.216 469 L C 2.513 179.375 176.870 -0.012 0.000 1.114 469 L CA 1.632 56.515 54.840 0.073 0.000 0.777 469 L CB -0.352 41.818 42.059 0.185 0.000 0.910 469 L HN 0.629 nan 8.230 nan 0.000 0.440 470 D N 0.476 120.846 120.400 -0.049 0.000 2.182 470 D HA -0.189 4.451 4.640 0.000 0.000 0.201 470 D C 2.210 178.426 176.300 -0.139 0.000 0.986 470 D CA 1.436 55.402 54.000 -0.056 0.000 0.847 470 D CB 0.048 40.818 40.800 -0.050 0.000 0.942 470 D HN 0.347 nan 8.370 nan 0.000 0.467 471 A N 0.127 122.772 122.820 -0.291 0.000 2.084 471 A HA -0.172 4.148 4.320 0.000 0.000 0.221 471 A C 1.401 178.775 177.584 -0.350 0.000 1.161 471 A CA 0.964 52.752 52.037 -0.416 0.000 0.653 471 A CB -0.672 17.982 19.000 -0.577 0.000 0.802 471 A HN 0.164 nan 8.150 nan 0.000 0.457 472 F N -1.102 118.864 119.950 0.028 0.000 2.695 472 F HA 0.248 4.775 4.527 0.000 0.000 0.303 472 F C 1.391 177.229 175.800 0.063 0.000 1.091 472 F CA 0.228 58.264 58.000 0.060 0.000 1.300 472 F CB 0.215 39.280 39.000 0.109 0.000 1.071 472 F HN 0.056 nan 8.300 nan 0.000 0.578 473 S N -0.282 115.512 115.700 0.157 0.000 2.960 473 S HA 0.314 4.784 4.470 0.000 0.000 0.256 473 S C 0.260 174.921 174.600 0.101 0.000 1.017 473 S CA -0.312 57.969 58.200 0.134 0.000 1.144 473 S CB 0.297 63.566 63.200 0.115 0.000 1.109 473 S HN -0.013 nan 8.310 nan 0.000 0.638 474 L N 4.307 125.518 121.223 -0.021 0.000 2.461 474 L HA 0.369 4.709 4.340 0.000 0.000 0.272 474 L C 0.595 177.368 176.870 -0.161 0.000 1.197 474 L CA 0.206 54.927 54.840 -0.199 0.000 0.836 474 L CB 0.193 41.995 42.059 -0.429 0.000 1.105 474 L HN 0.495 nan 8.230 nan 0.000 0.477 475 H N -0.339 118.482 119.070 -0.415 0.000 2.981 475 H HA 0.204 4.760 4.556 0.000 0.000 0.327 475 H C -0.556 174.555 175.328 -0.361 0.000 1.342 475 H CA -0.700 55.168 56.048 -0.301 0.000 1.123 475 H CB 1.423 31.136 29.762 -0.082 0.000 1.851 475 H HN 0.481 nan 8.280 nan 0.000 0.531 476 T N 0.926 115.393 114.554 -0.145 0.000 3.730 476 T HA -0.203 4.147 4.350 0.000 0.000 0.391 476 T C -0.490 174.098 174.700 -0.186 0.000 0.763 476 T CA 0.735 62.763 62.100 -0.121 0.000 2.052 476 T CB -2.574 66.184 68.868 -0.183 0.000 1.751 476 T HN 0.471 nan 8.240 nan 0.000 0.772 477 Y N 1.103 121.387 120.300 -0.028 0.000 2.281 477 Y HA 0.406 4.956 4.550 0.000 0.000 0.337 477 Y C 1.878 177.800 175.900 0.037 0.000 1.304 477 Y CA -0.031 58.078 58.100 0.014 0.000 1.465 477 Y CB 0.478 38.955 38.460 0.030 0.000 1.350 477 Y HN 0.482 nan 8.280 nan 0.000 0.575 478 T N -1.286 113.414 114.554 0.244 0.000 2.860 478 T HA 0.130 4.480 4.350 0.000 0.000 0.299 478 T C -2.047 172.744 174.700 0.151 0.000 1.045 478 T CA -1.546 60.649 62.100 0.158 0.000 1.071 478 T CB 1.117 70.076 68.868 0.153 0.000 0.985 478 T HN 0.345 nan 8.240 nan 0.000 0.537 479 P HA -0.159 nan 4.420 nan 0.000 0.215 479 P C 1.464 178.831 177.300 0.110 0.000 1.153 479 P CA 1.102 64.263 63.100 0.101 0.000 0.853 479 P CB -0.166 31.586 31.700 0.087 0.000 0.788 480 H N -0.106 118.988 119.070 0.041 0.000 2.319 480 H HA -0.180 4.376 4.556 0.000 0.000 0.299 480 H C 1.978 177.324 175.328 0.031 0.000 1.092 480 H CA 1.924 57.989 56.048 0.027 0.000 1.302 480 H CB 0.013 29.785 29.762 0.017 0.000 1.373 480 H HN 0.005 nan 8.280 nan 0.000 0.497 481 E N 0.764 120.996 120.200 0.053 0.000 2.047 481 E HA -0.100 4.250 4.350 0.000 0.000 0.191 481 E C 2.738 179.317 176.600 -0.035 0.000 0.987 481 E CA 1.070 57.475 56.400 0.009 0.000 0.799 481 E CB -0.386 29.419 29.700 0.175 0.000 0.752 481 E HN 0.508 nan 8.360 nan 0.000 0.449 482 L N -0.059 121.172 121.223 0.014 0.000 2.046 482 L HA -0.168 4.172 4.340 0.000 0.000 0.208 482 L C 2.479 179.330 176.870 -0.031 0.000 1.077 482 L CA 1.688 56.526 54.840 -0.004 0.000 0.747 482 L CB -0.727 41.358 42.059 0.044 0.000 0.896 482 L HN 0.208 nan 8.230 nan 0.000 0.432 483 T N -0.898 113.633 114.554 -0.038 0.000 2.746 483 T HA -0.221 4.130 4.350 0.000 0.000 0.267 483 T C 2.013 176.655 174.700 -0.097 0.000 1.039 483 T CA 1.366 63.436 62.100 -0.050 0.000 1.142 483 T CB -0.187 68.659 68.868 -0.037 0.000 0.866 483 T HN 0.255 nan 8.240 nan 0.000 0.444 484 R N 0.552 120.945 120.500 -0.178 0.000 2.081 484 R HA -0.069 4.271 4.340 0.000 0.000 0.235 484 R C 2.287 178.486 176.300 -0.169 0.000 1.131 484 R CA 1.194 57.167 56.100 -0.212 0.000 0.960 484 R CB -0.474 29.627 30.300 -0.332 0.000 0.856 484 R HN 0.219 nan 8.270 nan 0.000 0.436 485 V N 0.903 120.731 119.914 -0.144 0.000 2.358 485 V HA -0.173 3.947 4.120 0.000 0.000 0.246 485 V C 2.448 178.493 176.094 -0.081 0.000 1.047 485 V CA 1.830 64.052 62.300 -0.131 0.000 1.035 485 V CB -0.624 31.153 31.823 -0.077 0.000 0.658 485 V HN 0.555 nan 8.190 nan 0.000 0.452 486 A N -0.265 122.526 122.820 -0.050 0.000 1.902 486 A HA -0.202 4.118 4.320 0.000 0.000 0.217 486 A C 2.482 180.056 177.584 -0.017 0.000 1.181 486 A CA 2.256 54.284 52.037 -0.015 0.000 0.623 486 A CB -0.678 18.321 19.000 -0.000 0.000 0.818 486 A HN 0.513 nan 8.150 nan 0.000 0.443 487 S N -0.035 115.643 115.700 -0.037 0.000 2.368 487 S HA -0.032 4.438 4.470 0.000 0.000 0.225 487 S C 2.306 176.888 174.600 -0.030 0.000 1.030 487 S CA 1.150 59.333 58.200 -0.027 0.000 0.999 487 S CB -0.481 62.695 63.200 -0.041 0.000 0.844 487 S HN 0.801 nan 8.310 nan 0.000 0.459 488 A N 1.653 124.432 122.820 -0.067 0.000 1.877 488 A HA -0.027 4.293 4.320 0.000 0.000 0.216 488 A C 2.131 179.689 177.584 -0.043 0.000 1.186 488 A CA 1.212 53.202 52.037 -0.078 0.000 0.620 488 A CB -0.789 18.115 19.000 -0.159 0.000 0.822 488 A HN 0.447 nan 8.150 nan 0.000 0.443 489 L N -0.355 120.848 121.223 -0.032 0.000 2.046 489 L HA -0.236 4.104 4.340 0.000 0.000 0.208 489 L C 2.869 179.740 176.870 0.002 0.000 1.077 489 L CA 1.943 56.786 54.840 0.005 0.000 0.747 489 L CB -0.578 41.514 42.059 0.055 0.000 0.896 489 L HN 0.606 nan 8.230 nan 0.000 0.432 490 R N 0.719 121.227 120.500 0.014 0.000 2.115 490 R HA -0.184 4.156 4.340 0.000 0.000 0.230 490 R C 2.191 178.540 176.300 0.081 0.000 1.111 490 R CA 1.428 57.545 56.100 0.029 0.000 0.976 490 R CB -0.429 29.898 30.300 0.045 0.000 0.870 490 R HN 0.231 nan 8.270 nan 0.000 0.445 491 K N 1.227 121.674 120.400 0.078 0.000 2.097 491 K HA -0.061 4.259 4.320 0.000 0.000 0.206 491 K C 1.771 178.494 176.600 0.205 0.000 1.049 491 K CA 1.278 57.644 56.287 0.132 0.000 0.933 491 K CB -0.008 32.533 32.500 0.069 0.000 0.717 491 K HN 0.296 nan 8.250 nan 0.000 0.442 492 L N -0.102 121.172 121.223 0.086 0.000 2.558 492 L HA 0.140 4.480 4.340 0.000 0.000 0.225 492 L C 0.886 177.648 176.870 -0.180 0.000 1.128 492 L CA 0.424 55.300 54.840 0.059 0.000 0.868 492 L CB 0.161 42.231 42.059 0.018 0.000 1.006 492 L HN 0.562 nan 8.230 nan 0.000 0.454 493 G N 0.665 109.199 108.800 -0.443 0.000 2.198 493 G HA2 -0.234 3.726 3.960 0.000 0.000 0.257 493 G HA3 -0.234 3.726 3.960 0.000 0.000 0.257 493 G C 0.235 174.879 174.900 -0.427 0.000 1.042 493 G CA 0.163 44.648 45.100 -1.024 0.000 0.791 493 G HN 0.489 nan 8.290 nan 0.000 0.502 494 A N 0.219 122.939 122.820 -0.167 0.000 2.279 494 A HA 0.908 5.228 4.320 0.000 0.000 0.303 494 A C -1.353 176.256 177.584 0.040 0.000 1.108 494 A CA -1.290 50.751 52.037 0.006 0.000 0.830 494 A CB 0.984 20.063 19.000 0.131 0.000 1.106 494 A HN 0.243 nan 8.150 nan 0.000 0.493 495 P HA 0.218 nan 4.420 nan 0.000 0.272 495 P C -2.634 174.732 177.300 0.109 0.000 1.223 495 P CA -0.935 62.121 63.100 -0.074 0.000 0.784 495 P CB -0.082 31.370 31.700 -0.412 0.000 0.923 496 P HA 0.121 nan 4.420 nan 0.000 0.272 496 P C 1.258 178.714 177.300 0.259 0.000 1.240 496 P CA -0.242 62.941 63.100 0.140 0.000 0.791 496 P CB 0.951 32.691 31.700 0.066 0.000 0.978 497 L N 0.609 121.990 121.223 0.263 0.000 2.081 497 L HA -0.225 4.116 4.340 0.000 0.000 0.212 497 L C 2.869 179.895 176.870 0.261 0.000 1.080 497 L CA 1.952 56.971 54.840 0.297 0.000 0.754 497 L CB -0.850 41.293 42.059 0.140 0.000 0.893 497 L HN 0.484 nan 8.230 nan 0.000 0.433 498 R N 0.509 121.106 120.500 0.163 0.000 2.152 498 R HA -0.096 4.244 4.340 0.000 0.000 0.232 498 R C 2.170 178.532 176.300 0.104 0.000 1.117 498 R CA 1.246 57.426 56.100 0.133 0.000 0.981 498 R CB -0.603 29.747 30.300 0.084 0.000 0.870 498 R HN 0.256 nan 8.270 nan 0.000 0.451 499 A N 0.860 123.702 122.820 0.037 0.000 1.970 499 A HA -0.030 4.290 4.320 0.000 0.000 0.216 499 A C 1.629 179.149 177.584 -0.107 0.000 1.170 499 A CA 0.550 52.531 52.037 -0.093 0.000 0.645 499 A CB -0.781 18.081 19.000 -0.229 0.000 0.816 499 A HN 0.523 nan 8.150 nan 0.000 0.447 500 W N 0.301 121.667 121.300 0.111 0.000 2.402 500 W HA -0.073 4.587 4.660 0.000 0.000 0.286 500 W C 2.278 178.964 176.519 0.279 0.000 1.221 500 W CA 1.504 58.953 57.345 0.173 0.000 1.257 500 W CB 0.102 29.664 29.460 0.170 0.000 1.120 500 W HN 0.333 nan 8.180 nan 0.000 0.551 501 K N 0.231 120.918 120.400 0.478 0.000 2.057 501 K HA -0.133 4.187 4.320 0.000 0.000 0.206 501 K C 2.063 178.786 176.600 0.205 0.000 1.050 501 K CA 1.934 58.507 56.287 0.477 0.000 0.935 501 K CB -0.401 32.354 32.500 0.425 0.000 0.715 501 K HN -0.132 nan 8.250 nan 0.000 0.439 502 S N 0.607 116.377 115.700 0.118 0.000 2.368 502 S HA -0.103 4.367 4.470 0.000 0.000 0.225 502 S C 1.858 176.455 174.600 -0.004 0.000 1.030 502 S CA 1.364 59.580 58.200 0.026 0.000 0.999 502 S CB -0.254 62.939 63.200 -0.011 0.000 0.844 502 S HN 0.357 nan 8.310 nan 0.000 0.459 503 R N 1.143 121.651 120.500 0.013 0.000 2.092 503 R HA 0.040 4.380 4.340 0.000 0.000 0.231 503 R C 2.590 178.887 176.300 -0.005 0.000 1.119 503 R CA 1.155 57.252 56.100 -0.005 0.000 0.970 503 R CB -0.500 29.798 30.300 -0.003 0.000 0.864 503 R HN 0.399 nan 8.270 nan 0.000 0.440 504 A N 1.401 124.263 122.820 0.070 0.000 1.978 504 A HA -0.202 4.118 4.320 0.000 0.000 0.220 504 A C 2.136 179.525 177.584 -0.325 0.000 1.170 504 A CA 1.347 53.323 52.037 -0.102 0.000 0.636 504 A CB -0.507 18.524 19.000 0.051 0.000 0.810 504 A HN 0.243 nan 8.150 nan 0.000 0.448 505 R N -0.356 120.015 120.500 -0.216 0.000 2.081 505 R HA -0.118 4.222 4.340 0.000 0.000 0.235 505 R C 2.232 178.408 176.300 -0.207 0.000 1.131 505 R CA 1.478 57.448 56.100 -0.218 0.000 0.960 505 R CB -0.378 29.840 30.300 -0.136 0.000 0.856 505 R HN 0.442 nan 8.270 nan 0.000 0.436 506 A N 0.174 122.893 122.820 -0.168 0.000 1.930 506 A HA -0.056 4.264 4.320 0.000 0.000 0.217 506 A C 2.229 179.701 177.584 -0.187 0.000 1.175 506 A CA 1.317 53.267 52.037 -0.145 0.000 0.627 506 A CB -0.346 18.593 19.000 -0.103 0.000 0.815 506 A HN 0.220 nan 8.150 nan 0.000 0.443 507 V N 0.167 119.924 119.914 -0.262 0.000 2.358 507 V HA -0.247 3.873 4.120 0.000 0.000 0.246 507 V C 2.620 178.449 176.094 -0.441 0.000 1.047 507 V CA 2.228 64.327 62.300 -0.334 0.000 1.035 507 V CB -0.850 30.705 31.823 -0.446 0.000 0.658 507 V HN 0.691 nan 8.190 nan 0.000 0.452 508 R N 0.518 120.670 120.500 -0.580 0.000 2.083 508 R HA -0.195 4.145 4.340 0.000 0.000 0.237 508 R C 2.317 178.480 176.300 -0.228 0.000 1.137 508 R CA 1.894 57.731 56.100 -0.438 0.000 0.951 508 R CB -0.540 29.543 30.300 -0.362 0.000 0.851 508 R HN 0.458 nan 8.270 nan 0.000 0.434 509 A N 0.192 122.896 122.820 -0.192 0.000 1.883 509 A HA -0.156 4.164 4.320 0.000 0.000 0.217 509 A C 2.243 179.768 177.584 -0.098 0.000 1.186 509 A CA 2.032 53.995 52.037 -0.125 0.000 0.624 509 A CB -0.669 18.265 19.000 -0.109 0.000 0.822 509 A HN 0.478 nan 8.150 nan 0.000 0.444 510 S N -0.143 115.495 115.700 -0.103 0.000 2.368 510 S HA -0.100 4.370 4.470 0.000 0.000 0.225 510 S C 1.844 176.417 174.600 -0.045 0.000 1.030 510 S CA 1.448 59.609 58.200 -0.065 0.000 0.999 510 S CB -0.477 62.688 63.200 -0.058 0.000 0.844 510 S HN 0.498 nan 8.310 nan 0.000 0.459 511 L N 0.963 122.148 121.223 -0.064 0.000 2.017 511 L HA -0.112 4.228 4.340 0.000 0.000 0.208 511 L C 2.252 179.109 176.870 -0.021 0.000 1.073 511 L CA 1.253 56.077 54.840 -0.027 0.000 0.745 511 L CB -0.566 41.458 42.059 -0.058 0.000 0.894 511 L HN 0.300 nan 8.230 nan 0.000 0.432 512 I N -0.817 119.726 120.570 -0.045 0.000 2.226 512 I HA -0.285 3.885 4.170 0.000 0.000 0.245 512 I C 2.565 178.668 176.117 -0.023 0.000 1.100 512 I CA 1.126 62.406 61.300 -0.033 0.000 1.374 512 I CB -0.264 37.706 38.000 -0.050 0.000 1.057 512 I HN 0.182 nan 8.210 nan 0.000 0.413 513 S N 0.320 116.003 115.700 -0.027 0.000 2.419 513 S HA -0.170 4.300 4.470 0.000 0.000 0.235 513 S C 1.980 176.577 174.600 -0.006 0.000 1.019 513 S CA 1.183 59.372 58.200 -0.019 0.000 0.982 513 S CB -0.299 62.887 63.200 -0.023 0.000 0.789 513 S HN 0.398 nan 8.310 nan 0.000 0.490 514 R N 0.621 121.122 120.500 0.002 0.000 2.193 514 R HA 0.154 4.494 4.340 0.000 0.000 0.213 514 R C 1.502 177.812 176.300 0.017 0.000 1.055 514 R CA 0.445 56.554 56.100 0.015 0.000 0.995 514 R CB -0.361 29.957 30.300 0.031 0.000 0.893 514 R HN 0.443 nan 8.270 nan 0.000 0.459 515 G N -0.289 108.518 108.800 0.012 0.000 2.697 515 G HA2 -0.130 3.830 3.960 0.000 0.000 0.240 515 G HA3 -0.130 3.830 3.960 0.000 0.000 0.240 515 G C 0.418 175.331 174.900 0.022 0.000 1.346 515 G CA -0.315 44.793 45.100 0.013 0.000 0.887 515 G HN 0.654 nan 8.290 nan 0.000 0.569 516 G N -1.066 107.746 108.800 0.020 0.000 2.574 516 G HA2 -0.230 3.730 3.960 0.000 0.000 0.282 516 G HA3 -0.230 3.730 3.960 0.000 0.000 0.282 516 G C 1.105 176.022 174.900 0.028 0.000 1.257 516 G CA 1.336 46.450 45.100 0.024 0.000 0.956 516 G HN 1.464 nan 8.290 nan 0.000 0.560 517 R N 0.278 120.799 120.500 0.035 0.000 2.115 517 R HA 0.107 4.447 4.340 0.000 0.000 0.230 517 R C 3.199 179.533 176.300 0.057 0.000 1.111 517 R CA 1.737 57.860 56.100 0.039 0.000 0.976 517 R CB -0.524 29.806 30.300 0.050 0.000 0.870 517 R HN 0.676 nan 8.270 nan 0.000 0.445 518 A N 1.399 124.262 122.820 0.072 0.000 1.902 518 A HA -0.141 4.179 4.320 0.000 0.000 0.217 518 A C 2.374 179.983 177.584 0.042 0.000 1.181 518 A CA 1.744 53.834 52.037 0.088 0.000 0.623 518 A CB -0.587 18.468 19.000 0.091 0.000 0.818 518 A HN 0.386 nan 8.150 nan 0.000 0.443 519 A N -0.628 122.210 122.820 0.029 0.000 1.933 519 A HA 0.033 4.353 4.320 0.000 0.000 0.218 519 A C 2.203 179.803 177.584 0.026 0.000 1.175 519 A CA 1.693 53.739 52.037 0.015 0.000 0.628 519 A CB -0.831 18.176 19.000 0.013 0.000 0.814 519 A HN 0.388 nan 8.150 nan 0.000 0.444 520 V N -0.872 119.063 119.914 0.035 0.000 2.343 520 V HA -0.319 3.801 4.120 0.000 0.000 0.247 520 V C 2.635 178.754 176.094 0.042 0.000 1.051 520 V CA 2.010 64.345 62.300 0.060 0.000 1.036 520 V CB -1.163 30.646 31.823 -0.024 0.000 0.654 520 V HN 0.710 nan 8.190 nan 0.000 0.451 521 C N 0.787 120.075 119.300 -0.019 0.000 2.429 521 C HA -0.079 4.381 4.460 0.000 0.000 0.277 521 C C 2.951 177.887 174.990 -0.090 0.000 1.262 521 C CA 0.903 59.857 59.018 -0.107 0.000 1.733 521 C CB -1.680 25.962 27.740 -0.162 0.000 2.010 521 C HN 0.689 nan 8.230 nan 0.000 0.483 522 G N 0.073 108.858 108.800 -0.025 0.000 2.421 522 G HA2 -0.190 3.770 3.960 0.000 0.000 0.216 522 G HA3 -0.190 3.770 3.960 0.000 0.000 0.216 522 G C 1.805 176.723 174.900 0.031 0.000 1.171 522 G CA 0.436 45.561 45.100 0.042 0.000 0.775 522 G HN 0.584 nan 8.290 nan 0.000 0.543 523 R N -1.070 119.422 120.500 -0.013 0.000 2.092 523 R HA -0.004 4.336 4.340 0.000 0.000 0.231 523 R C 2.322 178.488 176.300 -0.223 0.000 1.119 523 R CA 1.249 57.289 56.100 -0.100 0.000 0.970 523 R CB -0.354 29.889 30.300 -0.096 0.000 0.864 523 R HN 0.501 nan 8.270 nan 0.000 0.440 524 Y N 0.451 120.576 120.300 -0.291 0.000 2.262 524 Y HA 0.011 4.561 4.550 0.000 0.000 0.295 524 Y C 2.223 177.809 175.900 -0.524 0.000 1.121 524 Y CA 0.692 58.461 58.100 -0.552 0.000 1.144 524 Y CB -0.050 37.861 38.460 -0.914 0.000 1.043 524 Y HN -0.106 nan 8.280 nan 0.000 0.528 525 L N -1.599 119.461 121.223 -0.272 0.000 2.201 525 L HA -0.129 4.211 4.340 0.000 0.000 0.212 525 L C 0.508 177.096 176.870 -0.470 0.000 1.105 525 L CA 1.220 55.862 54.840 -0.329 0.000 0.775 525 L CB -0.282 41.440 42.059 -0.561 0.000 0.913 525 L HN 0.193 nan 8.230 nan 0.000 0.440 526 F N -1.407 118.469 119.950 -0.124 0.000 2.791 526 F HA 0.191 4.718 4.527 0.000 0.000 0.308 526 F C 1.630 177.115 175.800 -0.526 0.000 1.138 526 F CA -0.319 57.414 58.000 -0.445 0.000 1.294 526 F CB -0.654 38.087 39.000 -0.431 0.000 0.975 526 F HN 0.007 nan 8.300 nan 0.000 0.512 527 N N 0.874 119.484 118.700 -0.150 0.000 2.289 527 N HA -0.165 4.575 4.740 0.000 0.000 0.184 527 N C 1.925 177.397 175.510 -0.064 0.000 1.016 527 N CA 1.348 54.330 53.050 -0.112 0.000 0.872 527 N CB -0.052 38.394 38.487 -0.070 0.000 0.973 527 N HN 0.593 nan 8.380 nan 0.000 0.433 528 W N 0.194 121.526 121.300 0.053 0.000 2.465 528 W HA 0.121 4.781 4.660 0.000 0.000 0.268 528 W C 1.387 177.957 176.519 0.085 0.000 1.242 528 W CA 0.523 57.907 57.345 0.065 0.000 1.248 528 W CB -0.577 28.932 29.460 0.083 0.000 1.118 528 W HN -0.029 nan 8.180 nan 0.000 0.587 529 A N 1.512 123.915 122.820 -0.694 0.000 2.167 529 A HA 0.196 4.516 4.320 0.000 0.000 0.214 529 A C 1.017 178.466 177.584 -0.226 0.000 1.151 529 A CA 1.171 52.833 52.037 -0.626 0.000 0.735 529 A CB -0.809 17.616 19.000 -0.959 0.000 0.802 529 A HN 0.148 nan 8.150 nan 0.000 0.467 530 V N -3.025 116.794 119.914 -0.158 0.000 2.815 530 V HA 0.450 4.570 4.120 0.000 0.000 0.314 530 V C 0.804 176.873 176.094 -0.041 0.000 1.064 530 V CA -0.459 61.785 62.300 -0.093 0.000 0.952 530 V CB 1.740 33.499 31.823 -0.107 0.000 1.020 530 V HN 0.434 nan 8.190 nan 0.000 0.439 531 K N 0.746 121.128 120.400 -0.030 0.000 2.167 531 K HA 0.057 4.377 4.320 0.000 0.000 0.203 531 K C 0.632 177.214 176.600 -0.030 0.000 1.052 531 K CA 1.053 57.330 56.287 -0.018 0.000 0.956 531 K CB -0.323 32.170 32.500 -0.012 0.000 0.735 531 K HN 0.631 nan 8.250 nan 0.000 0.451 532 T N 2.966 117.497 114.554 -0.039 0.000 3.162 532 T HA 0.205 4.555 4.350 0.000 0.000 0.316 532 T C -0.527 174.141 174.700 -0.054 0.000 1.182 532 T CA -0.398 61.676 62.100 -0.043 0.000 1.015 532 T CB 0.528 69.371 68.868 -0.042 0.000 1.089 532 T HN 0.035 nan 8.240 nan 0.000 0.646 533 K N 2.201 122.569 120.400 -0.052 0.000 2.440 533 K HA 0.292 4.612 4.320 0.000 0.000 0.270 533 K C -0.013 176.542 176.600 -0.074 0.000 0.980 533 K CA -0.177 56.073 56.287 -0.062 0.000 0.953 533 K CB 0.177 32.646 32.500 -0.052 0.000 0.925 533 K HN 0.270 nan 8.250 nan 0.000 0.497 534 L N 2.486 123.648 121.223 -0.102 0.000 2.387 534 L HA 0.293 4.633 4.340 0.000 0.000 0.266 534 L C 1.562 178.355 176.870 -0.127 0.000 1.059 534 L CA -0.149 54.619 54.840 -0.120 0.000 0.801 534 L CB 0.916 42.877 42.059 -0.165 0.000 1.223 534 L HN 0.694 nan 8.230 nan 0.000 0.456 535 K N 1.116 121.447 120.400 -0.115 0.000 1.971 535 K HA -0.111 4.209 4.320 0.000 0.000 0.221 535 K C -0.486 176.039 176.600 -0.125 0.000 1.050 535 K CA 0.787 57.018 56.287 -0.092 0.000 0.967 535 K CB -0.474 31.987 32.500 -0.065 0.000 0.733 535 K HN 0.188 nan 8.250 nan 0.000 0.445 536 L N 1.812 122.907 121.223 -0.214 0.000 2.492 536 L HA -0.130 4.210 4.340 0.000 0.000 0.668 536 L C -0.488 176.391 176.870 0.016 0.000 1.022 536 L CA 1.167 55.823 54.840 -0.307 0.000 1.371 536 L CB -2.017 39.845 42.059 -0.328 0.000 2.041 536 L HN 0.835 nan 8.230 nan 0.000 0.953 537 T N 0.907 115.547 114.554 0.143 0.000 2.952 537 T HA 0.890 5.240 4.350 0.000 0.000 0.286 537 T C -2.496 172.349 174.700 0.241 0.000 1.024 537 T CA -2.334 59.865 62.100 0.165 0.000 1.029 537 T CB 1.948 70.880 68.868 0.107 0.000 1.094 537 T HN 0.216 nan 8.240 nan 0.000 0.515 538 P HA 0.143 nan 4.420 nan 0.000 0.264 538 P C -0.690 176.656 177.300 0.077 0.000 1.183 538 P CA -0.028 63.144 63.100 0.121 0.000 0.763 538 P CB 0.218 31.964 31.700 0.077 0.000 0.807 539 L N 6.746 127.981 121.223 0.020 0.000 2.290 539 L HA 0.201 4.541 4.340 0.000 0.000 0.284 539 L C -1.272 175.579 176.870 -0.031 0.000 1.078 539 L CA -1.729 53.075 54.840 -0.058 0.000 0.815 539 L CB 1.164 43.117 42.059 -0.177 0.000 1.162 539 L HN 0.320 nan 8.230 nan 0.000 0.435 540 P HA -0.219 nan 4.420 nan 0.000 0.215 540 P C 1.113 178.396 177.300 -0.028 0.000 1.157 540 P CA 1.108 64.198 63.100 -0.018 0.000 0.874 540 P CB 0.125 31.818 31.700 -0.013 0.000 0.790 541 E N -0.128 120.048 120.200 -0.040 0.000 2.401 541 E HA -0.109 4.241 4.350 0.000 0.000 0.199 541 E C 1.724 178.294 176.600 -0.051 0.000 1.023 541 E CA 1.252 57.625 56.400 -0.044 0.000 0.859 541 E CB -1.096 28.577 29.700 -0.046 0.000 0.780 541 E HN 0.193 nan 8.360 nan 0.000 0.523 542 A N 1.596 124.388 122.820 -0.048 0.000 1.969 542 A HA -0.089 4.232 4.320 0.000 0.000 0.218 542 A C 2.193 179.746 177.584 -0.050 0.000 1.169 542 A CA 1.205 53.214 52.037 -0.047 0.000 0.635 542 A CB -0.271 18.714 19.000 -0.024 0.000 0.810 542 A HN 0.114 nan 8.150 nan 0.000 0.445 543 R N -0.800 119.677 120.500 -0.038 0.000 2.115 543 R HA 0.100 4.440 4.340 0.000 0.000 0.226 543 R C 1.101 177.374 176.300 -0.046 0.000 1.100 543 R CA 0.638 56.717 56.100 -0.036 0.000 0.980 543 R CB -0.435 29.852 30.300 -0.022 0.000 0.875 543 R HN 0.392 nan 8.270 nan 0.000 0.445 544 L N 0.555 121.750 121.223 -0.048 0.000 2.650 544 L HA 0.084 4.424 4.340 0.000 0.000 0.235 544 L C 0.031 176.857 176.870 -0.074 0.000 1.149 544 L CA 0.686 55.495 54.840 -0.051 0.000 0.887 544 L CB -0.562 41.472 42.059 -0.041 0.000 1.021 544 L HN 0.065 nan 8.230 nan 0.000 0.441 545 L N 0.034 121.199 121.223 -0.098 0.000 2.305 545 L HA 0.144 4.484 4.340 0.000 0.000 0.281 545 L C 0.709 177.479 176.870 -0.167 0.000 1.085 545 L CA -0.196 54.552 54.840 -0.153 0.000 0.813 545 L CB 0.793 42.737 42.059 -0.193 0.000 1.157 545 L HN 0.012 nan 8.230 nan 0.000 0.436 546 D N 5.018 125.301 120.400 -0.194 0.000 3.085 546 D HA 0.211 4.851 4.640 0.000 0.000 0.243 546 D C -0.401 175.747 176.300 -0.254 0.000 1.232 546 D CA -0.019 53.880 54.000 -0.169 0.000 0.913 546 D CB 0.009 40.739 40.800 -0.116 0.000 1.108 546 D HN 0.317 nan 8.370 nan 0.000 0.468 547 L N 0.058 121.112 121.223 -0.282 0.000 2.331 547 L HA 0.371 4.711 4.340 0.000 0.000 0.275 547 L C 1.065 177.878 176.870 -0.096 0.000 1.022 547 L CA -0.497 54.157 54.840 -0.310 0.000 0.812 547 L CB 1.936 43.741 42.059 -0.423 0.000 1.257 547 L HN -0.023 nan 8.230 nan 0.000 0.435 548 S N -0.279 115.429 115.700 0.013 0.000 2.365 548 S HA -0.040 4.430 4.470 0.000 0.000 0.126 548 S C 0.648 175.328 174.600 0.134 0.000 0.626 548 S CA 0.420 58.660 58.200 0.067 0.000 1.493 548 S CB -0.188 63.030 63.200 0.030 0.000 0.946 548 S HN 0.549 nan 8.310 nan 0.000 0.277 549 S N 0.601 116.381 115.700 0.133 0.000 2.855 549 S HA 0.243 4.713 4.470 0.000 0.000 0.249 549 S C 0.196 174.893 174.600 0.161 0.000 1.033 549 S CA -0.322 57.967 58.200 0.149 0.000 1.038 549 S CB 0.037 63.295 63.200 0.095 0.000 0.960 549 S HN 0.577 nan 8.310 nan 0.000 0.548 550 W N 1.870 123.106 121.300 -0.105 0.000 2.331 550 W HA -0.125 4.535 4.660 0.000 0.000 0.291 550 W C 0.826 177.070 176.519 -0.458 0.000 1.214 550 W CA 1.148 58.291 57.345 -0.337 0.000 1.228 550 W CB -0.540 28.601 29.460 -0.532 0.000 1.135 550 W HN 0.437 nan 8.180 nan 0.000 0.537 551 F N -1.720 118.255 119.950 0.043 0.000 2.317 551 F HA -0.035 4.492 4.527 0.000 0.000 0.293 551 F C 2.435 178.267 175.800 0.055 0.000 1.085 551 F CA 1.610 59.586 58.000 -0.041 0.000 1.390 551 F CB -1.194 37.788 39.000 -0.030 0.000 1.077 551 F HN -0.413 nan 8.300 nan 0.000 0.517 552 T N 0.641 115.326 114.554 0.220 0.000 2.708 552 T HA -0.170 4.180 4.350 0.000 0.000 0.266 552 T C 2.317 177.064 174.700 0.080 0.000 1.037 552 T CA 1.843 64.041 62.100 0.163 0.000 1.146 552 T CB -0.654 68.295 68.868 0.135 0.000 0.865 552 T HN 0.241 nan 8.240 nan 0.000 0.435 553 V N 0.549 120.462 119.914 -0.002 0.000 2.688 553 V HA 0.003 4.123 4.120 0.000 0.000 0.256 553 V C 2.481 178.570 176.094 -0.009 0.000 1.084 553 V CA 1.812 64.090 62.300 -0.037 0.000 1.103 553 V CB -1.550 30.083 31.823 -0.316 0.000 0.688 553 V HN 0.466 nan 8.190 nan 0.000 0.480 554 G N -0.198 108.553 108.800 -0.083 0.000 2.511 554 G HA2 0.196 4.156 3.960 0.000 0.000 0.217 554 G HA3 0.196 4.156 3.960 0.000 0.000 0.217 554 G C 1.185 176.068 174.900 -0.028 0.000 1.133 554 G CA 0.542 45.609 45.100 -0.054 0.000 0.792 554 G HN 1.677 nan 8.290 nan 0.000 0.539 555 A N -1.042 121.772 122.820 -0.010 0.000 2.596 555 A HA 0.205 4.525 4.320 0.000 0.000 0.300 555 A C 1.977 179.393 177.584 -0.279 0.000 1.495 555 A CA 1.643 53.656 52.037 -0.040 0.000 0.769 555 A CB -1.476 17.489 19.000 -0.058 0.000 1.047 555 A HN 2.399 nan 8.150 nan 0.000 0.436 556 G N -1.796 106.605 108.800 -0.664 0.000 2.552 556 G HA2 0.274 4.234 3.960 0.000 0.000 0.267 556 G HA3 0.274 4.234 3.960 0.000 0.000 0.267 556 G C 1.362 176.007 174.900 -0.425 0.000 1.174 556 G CA 0.991 45.378 45.100 -1.188 0.000 0.955 556 G HN 2.607 nan 8.290 nan 0.000 0.546 557 G N -2.301 106.338 108.800 -0.269 0.000 3.211 557 G HA2 0.771 4.731 3.960 0.000 0.000 0.262 557 G HA3 0.771 4.731 3.960 0.000 0.000 0.262 557 G C 0.737 175.600 174.900 -0.062 0.000 1.352 557 G CA 0.818 45.851 45.100 -0.111 0.000 1.004 557 G HN 2.496 nan 8.290 nan 0.000 0.559 558 G N -1.029 107.757 108.800 -0.024 0.000 2.192 558 G HA2 0.279 4.239 3.960 0.000 0.000 0.152 558 G HA3 0.279 4.239 3.960 0.000 0.000 0.152 558 G C -0.037 174.870 174.900 0.012 0.000 1.057 558 G CA 0.699 45.803 45.100 0.008 0.000 0.748 558 G HN 1.696 nan 8.290 nan 0.000 0.488 559 D N -0.744 119.646 120.400 -0.016 0.000 2.760 559 D HA -0.148 4.492 4.640 0.000 0.000 0.244 559 D C 0.207 176.487 176.300 -0.034 0.000 1.096 559 D CA 1.024 55.006 54.000 -0.030 0.000 0.716 559 D CB -1.130 39.660 40.800 -0.016 0.000 1.075 559 D HN 0.492 nan 8.370 nan 0.000 0.434 560 I N 1.420 121.963 120.570 -0.045 0.000 2.509 560 I HA 0.447 4.617 4.170 0.000 0.000 0.293 560 I C -0.146 175.909 176.117 -0.102 0.000 1.020 560 I CA -0.796 60.464 61.300 -0.066 0.000 1.088 560 I CB 1.403 39.410 38.000 0.011 0.000 1.267 560 I HN 0.125 nan 8.210 nan 0.000 0.430 561 Y N 5.152 125.236 120.300 -0.360 0.000 2.462 561 Y HA 0.574 5.124 4.550 0.000 0.000 0.346 561 Y C -1.195 174.333 175.900 -0.620 0.000 0.976 561 Y CA -0.678 57.175 58.100 -0.412 0.000 1.044 561 Y CB 1.567 39.847 38.460 -0.300 0.000 1.230 561 Y HN 0.565 nan 8.280 nan 0.000 0.455 562 H N 2.653 121.093 119.070 -1.050 0.000 2.782 562 H HA 0.512 5.068 4.556 0.000 0.000 0.347 562 H C -0.328 174.563 175.328 -0.727 0.000 1.038 562 H CA 0.019 55.633 56.048 -0.723 0.000 1.255 562 H CB 1.687 31.153 29.762 -0.492 0.000 1.623 562 H HN 0.877 nan 8.280 nan 0.000 0.525 563 S N 0.000 115.489 115.700 -0.352 0.000 2.498 563 S HA 0.000 4.470 4.470 0.000 0.000 0.327 563 S CA 0.000 58.100 58.200 -0.167 0.000 1.107 563 S CB 0.000 63.210 63.200 0.016 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517