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 2v68_1_E DATA FIRST_RESID 10 DATA SEQUENCE GAGFKAGVKD YRLTYYTPDY VVRDTDILAA FRMTPQPGVP PEECGAAVAA DATA SEQUENCE ESSTGTWTTV WTDGLTSLDR YKGRCYDIEP VPGEDNQYIA YVAYXIDLFE DATA SEQUENCE EGSVTNMFTS IVGNVFGFKA LRALRLEDLR IPPAYVKTFV GXPHGIQVER DATA SEQUENCE DKLNKYGRGL LGCTIKPKLG LSAKNYGRAV YECLRGGLDF TXDDENVNSQ DATA SEQUENCE PFMRWRDRFL FVAEAIYKAQ AETGEVKGHY LNATAGTCEE MMKRAVXAKE DATA SEQUENCE LGVPIIMHDY LTGGFTANTS LAIYCRDNGL LLHIHRAMHA VIDRQRNHGI DATA SEQUENCE HFRVLAKALR MSGGDHLHSG TAVGKLEGER EVILGFVDLM RDDYVEKDRS DATA SEQUENCE RGIYFTQDWX SMPGVMPVAS GGIHVWHMPA LVEIFGDDAC LQFGGGTLGH DATA SEQUENCE PWGNAPGAAA NRVALEACTQ ARNEGRDLAR EGGDVIRSAC KWSPELAAAC DATA SEQUENCE EVWKEIKFEF DTIDKL 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 10 G C 0.000 174.916 174.900 0.026 0.000 0.946 10 G CA 0.000 45.110 45.100 0.017 0.000 0.502 11 A N -1.412 121.423 122.820 0.024 0.000 1.442 11 A HA 0.444 4.764 4.320 -0.000 0.000 0.220 11 A C 1.076 178.695 177.584 0.058 0.000 1.100 11 A CA 1.510 53.566 52.037 0.032 0.000 0.549 11 A CB -1.103 17.913 19.000 0.027 0.000 1.361 11 A HN 2.525 nan 8.150 nan 0.000 0.179 12 G N 1.111 109.946 108.800 0.057 0.000 2.616 12 G HA2 0.584 4.544 3.960 -0.000 0.000 0.268 12 G HA3 0.584 4.544 3.960 -0.000 0.000 0.268 12 G C -0.066 174.927 174.900 0.156 0.000 1.213 12 G CA -0.001 45.154 45.100 0.092 0.000 0.926 12 G HN 1.787 nan 8.290 nan 0.000 0.523 13 F N 0.853 120.825 119.950 0.037 0.000 2.444 13 F HA 0.454 4.981 4.527 -0.000 0.000 0.360 13 F C 0.321 176.136 175.800 0.026 0.000 1.106 13 F CA -0.967 57.065 58.000 0.054 0.000 1.170 13 F CB 0.892 39.954 39.000 0.103 0.000 1.113 13 F HN 0.085 nan 8.300 nan 0.000 0.521 14 K N 6.247 126.418 120.400 -0.382 0.000 2.449 14 K HA 0.547 4.867 4.320 -0.000 0.000 0.257 14 K C -0.662 175.528 176.600 -0.683 0.000 0.989 14 K CA -0.548 55.420 56.287 -0.531 0.000 0.916 14 K CB 1.257 33.627 32.500 -0.216 0.000 1.136 14 K HN 0.823 nan 8.250 nan 0.000 0.439 15 A N 2.347 124.595 122.820 -0.954 0.000 2.498 15 A HA 0.541 4.861 4.320 -0.000 0.000 0.239 15 A C 0.538 177.991 177.584 -0.218 0.000 1.068 15 A CA 0.996 52.732 52.037 -0.501 0.000 0.766 15 A CB -0.004 18.799 19.000 -0.329 0.000 1.003 15 A HN 0.920 nan 8.150 nan 0.000 0.497 16 G N -0.565 108.162 108.800 -0.122 0.000 2.381 16 G HA2 0.312 4.272 3.960 -0.000 0.000 0.672 16 G HA3 0.312 4.272 3.960 -0.000 0.000 0.672 16 G C -0.884 173.952 174.900 -0.107 0.000 1.324 16 G CA -0.475 44.568 45.100 -0.096 0.000 0.975 16 G HN 1.460 nan 8.290 nan 0.000 0.593 17 V N 1.505 121.381 119.914 -0.063 0.000 2.498 17 V HA 0.611 4.731 4.120 -0.000 0.000 0.279 17 V C 0.725 176.787 176.094 -0.054 0.000 1.048 17 V CA 0.601 62.868 62.300 -0.054 0.000 0.967 17 V CB 1.008 32.869 31.823 0.063 0.000 0.988 17 V HN 1.032 nan 8.190 nan 0.000 0.473 18 K N 1.998 122.346 120.400 -0.088 0.000 2.433 18 K HA 0.639 4.959 4.320 -0.000 0.000 0.252 18 K C -1.343 175.194 176.600 -0.106 0.000 1.015 18 K CA -1.114 55.132 56.287 -0.068 0.000 0.860 18 K CB 1.534 34.005 32.500 -0.048 0.000 1.359 18 K HN 0.315 nan 8.250 nan 0.000 0.452 19 D N 0.829 121.200 120.400 -0.049 0.000 2.443 19 D HA 0.023 4.662 4.640 -0.000 0.000 0.239 19 D C 0.547 176.853 176.300 0.010 0.000 1.136 19 D CA 0.205 54.193 54.000 -0.019 0.000 0.879 19 D CB 0.218 41.038 40.800 0.033 0.000 1.195 19 D HN 0.452 nan 8.370 nan 0.000 0.443 20 Y N 1.421 121.774 120.300 0.089 0.000 2.224 20 Y HA -0.210 4.340 4.550 -0.000 0.000 0.289 20 Y C 2.405 178.427 175.900 0.203 0.000 1.146 20 Y CA 1.251 59.443 58.100 0.154 0.000 1.182 20 Y CB -0.262 38.220 38.460 0.037 0.000 0.983 20 Y HN 0.461 nan 8.280 nan 0.000 0.524 21 R N 0.575 121.239 120.500 0.273 0.000 2.200 21 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 21 R C 1.622 178.039 176.300 0.194 0.000 1.127 21 R CA 1.661 57.897 56.100 0.226 0.000 0.989 21 R CB -1.079 29.294 30.300 0.122 0.000 0.869 21 R HN 0.377 nan 8.270 nan 0.000 0.459 22 L N 0.635 121.939 121.223 0.134 0.000 2.201 22 L HA -0.054 4.286 4.340 -0.000 0.000 0.212 22 L C 1.520 178.398 176.870 0.015 0.000 1.105 22 L CA 1.439 56.320 54.840 0.068 0.000 0.775 22 L CB -0.147 41.935 42.059 0.039 0.000 0.913 22 L HN 0.313 nan 8.230 nan 0.000 0.440 23 T N -3.101 111.451 114.554 -0.003 0.000 3.026 23 T HA 0.048 4.397 4.350 -0.000 0.000 0.245 23 T C 1.080 175.553 174.700 -0.378 0.000 1.004 23 T CA 0.270 62.218 62.100 -0.254 0.000 1.069 23 T CB 0.133 68.738 68.868 -0.438 0.000 1.005 23 T HN 0.119 nan 8.240 nan 0.000 0.472 24 Y N -0.382 119.959 120.300 0.068 0.000 2.444 24 Y HA 0.405 4.955 4.550 -0.000 0.000 0.249 24 Y C 0.127 176.075 175.900 0.080 0.000 1.134 24 Y CA -1.106 57.018 58.100 0.041 0.000 1.261 24 Y CB 0.433 38.915 38.460 0.037 0.000 1.143 24 Y HN 0.166 nan 8.280 nan 0.000 0.523 25 Y N 2.299 122.648 120.300 0.082 0.000 2.434 25 Y HA 0.393 4.943 4.550 -0.000 0.000 0.341 25 Y C 0.062 175.980 175.900 0.030 0.000 0.965 25 Y CA -1.457 56.669 58.100 0.044 0.000 1.205 25 Y CB 0.622 39.102 38.460 0.033 0.000 1.121 25 Y HN 0.024 nan 8.280 nan 0.000 0.507 26 T N 5.726 120.106 114.554 -0.289 0.000 3.327 26 T HA 0.288 4.638 4.350 -0.000 0.000 0.373 26 T C -2.319 172.233 174.700 -0.248 0.000 1.589 26 T CA -1.891 60.059 62.100 -0.249 0.000 1.497 26 T CB 1.032 69.832 68.868 -0.113 0.000 1.032 26 T HN 0.450 nan 8.240 nan 0.000 0.640 27 P HA 0.037 nan 4.420 nan 0.000 0.228 27 P C 0.296 177.568 177.300 -0.046 0.000 1.151 27 P CA 0.798 63.729 63.100 -0.282 0.000 0.770 27 P CB 0.241 31.726 31.700 -0.358 0.000 0.786 28 D N -2.193 118.186 120.400 -0.036 0.000 2.369 28 D HA 0.006 4.646 4.640 -0.000 0.000 0.211 28 D C 0.402 176.723 176.300 0.036 0.000 1.077 28 D CA -0.373 53.628 54.000 0.001 0.000 0.842 28 D CB -0.487 40.302 40.800 -0.018 0.000 0.947 28 D HN 0.169 nan 8.370 nan 0.000 0.509 29 Y N 2.064 122.328 120.300 -0.060 0.000 2.620 29 Y HA 0.050 4.600 4.550 -0.000 0.000 0.330 29 Y C -0.069 175.762 175.900 -0.116 0.000 1.186 29 Y CA -0.109 57.944 58.100 -0.079 0.000 1.467 29 Y CB 0.518 38.937 38.460 -0.067 0.000 1.262 29 Y HN -0.324 nan 8.280 nan 0.000 0.550 30 V N 8.704 128.212 119.914 -0.676 0.000 2.385 30 V HA 0.177 4.297 4.120 -0.000 0.000 0.269 30 V C -0.134 175.323 176.094 -1.061 0.000 1.043 30 V CA -0.739 61.178 62.300 -0.639 0.000 0.906 30 V CB 0.566 32.162 31.823 -0.379 0.000 0.995 30 V HN 0.735 nan 8.190 nan 0.000 0.467 31 V N 4.576 124.011 119.914 -0.799 0.000 2.763 31 V HA 0.356 4.476 4.120 -0.000 0.000 0.306 31 V C 0.452 176.321 176.094 -0.375 0.000 1.059 31 V CA -0.416 61.519 62.300 -0.609 0.000 1.138 31 V CB 0.155 31.702 31.823 -0.459 0.000 0.940 31 V HN 0.859 nan 8.190 nan 0.000 0.489 32 R N 3.013 123.381 120.500 -0.220 0.000 2.500 32 R HA 0.352 4.692 4.340 -0.000 0.000 0.277 32 R C 0.261 176.514 176.300 -0.078 0.000 1.026 32 R CA -0.579 55.448 56.100 -0.122 0.000 1.058 32 R CB 0.690 30.961 30.300 -0.047 0.000 1.078 32 R HN 0.750 nan 8.270 nan 0.000 0.509 33 D N 0.634 120.998 120.400 -0.060 0.000 2.350 33 D HA -0.095 4.545 4.640 -0.000 0.000 0.216 33 D C 1.377 177.664 176.300 -0.023 0.000 0.968 33 D CA 1.382 55.357 54.000 -0.041 0.000 0.894 33 D CB 0.143 40.927 40.800 -0.028 0.000 0.909 33 D HN 0.642 nan 8.370 nan 0.000 0.520 34 T N -2.758 111.791 114.554 -0.007 0.000 3.040 34 T HA 0.036 4.386 4.350 -0.000 0.000 0.250 34 T C 0.513 175.225 174.700 0.020 0.000 1.058 34 T CA -0.511 61.599 62.100 0.016 0.000 0.988 34 T CB 0.383 69.272 68.868 0.036 0.000 0.993 34 T HN -0.248 nan 8.240 nan 0.000 0.519 35 D N 1.765 122.175 120.400 0.016 0.000 2.414 35 D HA 0.329 4.969 4.640 -0.000 0.000 0.242 35 D C -0.177 176.120 176.300 -0.005 0.000 1.129 35 D CA -0.404 53.627 54.000 0.051 0.000 0.885 35 D CB 0.615 41.457 40.800 0.069 0.000 1.198 35 D HN 0.195 nan 8.370 nan 0.000 0.437 36 I N 2.221 122.810 120.570 0.032 0.000 2.416 36 I HA 0.135 4.305 4.170 -0.000 0.000 0.288 36 I C 0.066 176.225 176.117 0.069 0.000 1.051 36 I CA -0.073 61.182 61.300 -0.075 0.000 1.375 36 I CB 0.437 38.242 38.000 -0.325 0.000 1.407 36 I HN 0.061 nan 8.210 nan 0.000 0.516 37 L N 6.086 127.220 121.223 -0.148 0.000 2.334 37 L HA 0.894 5.234 4.340 -0.000 0.000 0.276 37 L C -0.132 176.606 176.870 -0.220 0.000 1.014 37 L CA -0.824 53.918 54.840 -0.164 0.000 0.815 37 L CB 1.628 43.382 42.059 -0.510 0.000 1.268 37 L HN 0.656 nan 8.230 nan 0.000 0.428 38 A N 1.950 124.842 122.820 0.119 0.000 2.371 38 A HA 0.867 5.187 4.320 -0.000 0.000 0.311 38 A C -0.675 176.987 177.584 0.130 0.000 1.068 38 A CA -0.532 51.530 52.037 0.042 0.000 0.744 38 A CB 1.700 20.719 19.000 0.032 0.000 1.239 38 A HN 0.757 nan 8.150 nan 0.000 0.435 39 A N 1.933 124.734 122.820 -0.031 0.000 2.256 39 A HA 0.722 5.042 4.320 -0.000 0.000 0.317 39 A C -1.188 176.070 177.584 -0.543 0.000 1.318 39 A CA -0.258 51.546 52.037 -0.389 0.000 0.894 39 A CB -0.175 18.454 19.000 -0.618 0.000 1.165 39 A HN 0.630 nan 8.150 nan 0.000 0.525 40 F N 1.740 121.502 119.950 -0.314 0.000 2.411 40 F HA 0.428 4.955 4.527 -0.000 0.000 0.352 40 F C 0.951 176.613 175.800 -0.230 0.000 1.123 40 F CA -0.323 57.532 58.000 -0.243 0.000 1.044 40 F CB 1.588 40.453 39.000 -0.224 0.000 1.135 40 F HN 0.609 nan 8.300 nan 0.000 0.461 41 R N 5.654 126.149 120.500 -0.008 0.000 2.242 41 R HA 0.370 4.710 4.340 -0.000 0.000 0.334 41 R C -0.773 175.548 176.300 0.035 0.000 1.071 41 R CA -0.173 55.932 56.100 0.009 0.000 0.922 41 R CB 0.412 30.718 30.300 0.009 0.000 1.023 41 R HN 0.830 nan 8.270 nan 0.000 0.458 42 M N 3.871 123.498 119.600 0.045 0.000 2.311 42 M HA 0.293 4.773 4.480 -0.000 0.000 0.325 42 M C -1.261 175.093 176.300 0.089 0.000 1.061 42 M CA -0.265 55.047 55.300 0.020 0.000 0.957 42 M CB 2.193 34.781 32.600 -0.021 0.000 1.646 42 M HN 0.412 nan 8.290 nan 0.000 0.434 43 T N 6.291 120.883 114.554 0.063 0.000 2.963 43 T HA 0.474 4.824 4.350 -0.000 0.000 0.343 43 T C -2.662 172.079 174.700 0.068 0.000 1.146 43 T CA -1.129 61.023 62.100 0.086 0.000 1.016 43 T CB 0.763 69.673 68.868 0.071 0.000 1.046 43 T HN 0.447 nan 8.240 nan 0.000 0.496 44 P HA 0.182 nan 4.420 nan 0.000 0.274 44 P C 0.030 177.356 177.300 0.043 0.000 1.231 44 P CA -0.672 62.449 63.100 0.035 0.000 0.790 44 P CB 0.583 32.289 31.700 0.011 0.000 0.951 45 Q N 2.374 122.191 119.800 0.028 0.000 2.392 45 Q HA 0.128 4.468 4.340 -0.000 0.000 0.262 45 Q C -1.879 174.138 176.000 0.028 0.000 1.003 45 Q CA -1.271 54.550 55.803 0.029 0.000 0.888 45 Q CB -0.614 28.140 28.738 0.026 0.000 1.260 45 Q HN 0.370 nan 8.270 nan 0.000 0.435 46 P HA -0.079 nan 4.420 nan 0.000 0.262 46 P C 0.540 177.851 177.300 0.018 0.000 1.182 46 P CA 1.000 64.115 63.100 0.025 0.000 0.761 46 P CB 0.277 31.990 31.700 0.022 0.000 0.795 47 G N 1.465 110.274 108.800 0.015 0.000 2.176 47 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.253 47 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.253 47 G C -0.114 174.788 174.900 0.002 0.000 0.979 47 G CA -0.101 45.004 45.100 0.009 0.000 0.641 47 G HN 0.546 nan 8.290 nan 0.000 0.530 48 V N 2.523 122.436 119.914 -0.003 0.000 2.328 48 V HA 0.461 4.581 4.120 -0.000 0.000 0.278 48 V C -1.573 174.486 176.094 -0.059 0.000 1.021 48 V CA -1.613 60.675 62.300 -0.019 0.000 0.838 48 V CB 1.456 33.272 31.823 -0.011 0.000 0.999 48 V HN 0.134 nan 8.190 nan 0.000 0.447 49 P HA 0.174 nan 4.420 nan 0.000 0.269 49 P C -2.070 175.087 177.300 -0.238 0.000 1.209 49 P CA -1.225 61.791 63.100 -0.141 0.000 0.776 49 P CB 0.180 31.804 31.700 -0.127 0.000 0.876 50 P HA -0.193 nan 4.420 nan 0.000 0.216 50 P C 1.047 178.067 177.300 -0.466 0.000 1.150 50 P CA 1.538 64.285 63.100 -0.589 0.000 0.843 50 P CB 0.048 31.135 31.700 -1.023 0.000 0.787 51 E N -0.668 119.243 120.200 -0.482 0.000 2.106 51 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 51 E C 2.011 178.364 176.600 -0.412 0.000 0.984 51 E CA 1.047 57.043 56.400 -0.675 0.000 0.806 51 E CB -0.538 28.648 29.700 -0.855 0.000 0.750 51 E HN 0.268 nan 8.360 nan 0.000 0.458 52 E N -0.031 120.022 120.200 -0.245 0.000 2.112 52 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 52 E C 1.839 178.366 176.600 -0.121 0.000 0.979 52 E CA 0.805 57.145 56.400 -0.099 0.000 0.814 52 E CB -0.527 29.154 29.700 -0.032 0.000 0.762 52 E HN 0.273 nan 8.360 nan 0.000 0.460 53 C N -0.232 118.959 119.300 -0.182 0.000 2.432 53 C HA 0.045 4.505 4.460 -0.000 0.000 0.277 53 C C 2.676 177.490 174.990 -0.294 0.000 1.249 53 C CA 1.454 60.341 59.018 -0.218 0.000 1.725 53 C CB -1.374 26.250 27.740 -0.194 0.000 2.028 53 C HN 0.647 nan 8.230 nan 0.000 0.477 54 G N -0.313 108.323 108.800 -0.273 0.000 2.408 54 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.217 54 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.217 54 G C 1.926 176.689 174.900 -0.228 0.000 1.150 54 G CA 1.016 45.966 45.100 -0.250 0.000 0.776 54 G HN 0.710 nan 8.290 nan 0.000 0.542 55 A N 1.139 123.863 122.820 -0.160 0.000 1.930 55 A HA 0.322 4.642 4.320 -0.000 0.000 0.217 55 A C 2.793 180.170 177.584 -0.344 0.000 1.175 55 A CA 2.068 54.065 52.037 -0.066 0.000 0.627 55 A CB -0.692 18.381 19.000 0.121 0.000 0.815 55 A HN 0.714 nan 8.150 nan 0.000 0.443 56 A N -0.505 121.975 122.820 -0.568 0.000 1.902 56 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 56 A C 2.224 179.194 177.584 -1.024 0.000 1.181 56 A CA 1.750 53.062 52.037 -1.208 0.000 0.623 56 A CB -0.906 17.526 19.000 -0.947 0.000 0.818 56 A HN 0.362 nan 8.150 nan 0.000 0.443 57 V N -0.134 119.328 119.914 -0.754 0.000 2.295 57 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 57 V C 3.075 178.834 176.094 -0.559 0.000 1.049 57 V CA 2.042 63.897 62.300 -0.740 0.000 1.024 57 V CB -1.240 30.082 31.823 -0.835 0.000 0.648 57 V HN 0.621 nan 8.190 nan 0.000 0.447 58 A N -0.183 122.379 122.820 -0.430 0.000 1.902 58 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 58 A C 2.411 179.786 177.584 -0.348 0.000 1.181 58 A CA 2.197 54.066 52.037 -0.281 0.000 0.623 58 A CB -0.793 18.120 19.000 -0.144 0.000 0.818 58 A HN 0.574 nan 8.150 nan 0.000 0.443 59 A N -0.409 121.991 122.820 -0.699 0.000 1.855 59 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 59 A C 1.857 179.109 177.584 -0.553 0.000 1.191 59 A CA 1.528 52.888 52.037 -1.127 0.000 0.613 59 A CB -0.413 17.779 19.000 -1.348 0.000 0.829 59 A HN 0.475 nan 8.150 nan 0.000 0.442 60 E N 0.406 120.288 120.200 -0.529 0.000 2.502 60 E HA -0.033 4.317 4.350 -0.000 0.000 0.194 60 E C 1.394 177.900 176.600 -0.157 0.000 1.062 60 E CA 0.868 57.084 56.400 -0.307 0.000 0.867 60 E CB -0.070 29.346 29.700 -0.473 0.000 0.888 60 E HN 0.708 nan 8.360 nan 0.000 0.510 61 S N -0.794 114.829 115.700 -0.128 0.000 2.572 61 S HA 0.134 4.604 4.470 -0.000 0.000 0.228 61 S C 1.364 176.041 174.600 0.128 0.000 0.963 61 S CA 0.242 58.469 58.200 0.045 0.000 0.939 61 S CB 0.291 63.584 63.200 0.156 0.000 0.804 61 S HN 0.142 nan 8.310 nan 0.000 0.480 62 S N 1.309 117.043 115.700 0.057 0.000 4.567 62 S HA 0.170 4.640 4.470 -0.000 0.000 0.167 62 S C 1.336 175.954 174.600 0.031 0.000 1.007 62 S CA 0.552 58.803 58.200 0.085 0.000 1.212 62 S CB -0.229 63.077 63.200 0.176 0.000 1.741 62 S HN 0.537 nan 8.310 nan 0.000 0.689 63 T N -1.012 113.577 114.554 0.058 0.000 2.986 63 T HA 0.488 4.837 4.350 -0.000 0.000 0.264 63 T C 0.760 175.510 174.700 0.084 0.000 0.964 63 T CA 0.409 62.558 62.100 0.081 0.000 0.895 63 T CB 0.228 69.196 68.868 0.166 0.000 1.163 63 T HN 0.732 nan 8.240 nan 0.000 0.517 64 G N 0.231 109.043 108.800 0.021 0.000 2.434 64 G HA2 0.579 4.539 3.960 -0.000 0.000 0.330 64 G HA3 0.579 4.539 3.960 -0.000 0.000 0.330 64 G C -0.946 174.003 174.900 0.082 0.000 1.155 64 G CA -0.327 44.808 45.100 0.059 0.000 0.917 64 G HN 0.269 nan 8.290 nan 0.000 0.493 65 T N -0.959 113.674 114.554 0.131 0.000 2.693 65 T HA 0.424 4.774 4.350 -0.000 0.000 0.278 65 T C 0.694 175.517 174.700 0.206 0.000 0.994 65 T CA -0.525 61.700 62.100 0.208 0.000 1.033 65 T CB 0.836 69.784 68.868 0.133 0.000 1.342 65 T HN 0.678 nan 8.240 nan 0.000 0.538 66 W N 0.760 122.152 121.300 0.154 0.000 2.699 66 W HA 0.275 4.935 4.660 -0.000 0.000 0.249 66 W C 0.285 176.778 176.519 -0.044 0.000 1.280 66 W CA 0.431 57.822 57.345 0.077 0.000 1.345 66 W CB -0.990 28.540 29.460 0.117 0.000 1.128 66 W HN 0.535 nan 8.180 nan 0.000 0.642 67 T N 0.932 115.036 114.554 -0.750 0.000 2.896 67 T HA 0.332 4.682 4.350 -0.000 0.000 0.297 67 T C -0.458 174.015 174.700 -0.378 0.000 1.108 67 T CA -0.332 61.336 62.100 -0.720 0.000 1.004 67 T CB 1.835 69.885 68.868 -1.363 0.000 1.159 67 T HN -0.206 nan 8.240 nan 0.000 0.499 68 T N 2.694 117.136 114.554 -0.186 0.000 2.870 68 T HA 0.452 4.802 4.350 -0.000 0.000 0.300 68 T C 0.222 174.991 174.700 0.114 0.000 0.989 68 T CA -0.364 61.736 62.100 0.001 0.000 1.139 68 T CB 0.159 69.071 68.868 0.073 0.000 0.920 68 T HN 0.682 nan 8.240 nan 0.000 0.537 69 V N 2.972 122.904 119.914 0.031 0.000 2.581 69 V HA 0.497 4.617 4.120 -0.000 0.000 0.303 69 V C 1.121 177.053 176.094 -0.270 0.000 1.041 69 V CA -1.168 61.055 62.300 -0.127 0.000 0.907 69 V CB 1.379 33.048 31.823 -0.257 0.000 0.994 69 V HN 1.042 nan 8.190 nan 0.000 0.442 70 W N 2.450 123.296 121.300 -0.757 0.000 2.425 70 W HA -0.083 4.577 4.660 -0.000 0.000 0.277 70 W C 1.439 177.734 176.519 -0.373 0.000 1.231 70 W CA 1.434 58.215 57.345 -0.939 0.000 1.248 70 W CB -1.663 26.945 29.460 -1.420 0.000 1.117 70 W HN 0.752 nan 8.180 nan 0.000 0.568 71 T N -1.092 112.866 114.554 -0.993 0.000 3.007 71 T HA -0.192 4.158 4.350 -0.000 0.000 0.270 71 T C 1.097 175.583 174.700 -0.358 0.000 1.107 71 T CA 1.491 63.057 62.100 -0.890 0.000 1.118 71 T CB -0.597 67.635 68.868 -1.060 0.000 0.889 71 T HN -0.097 nan 8.240 nan 0.000 0.506 72 D N 2.123 122.383 120.400 -0.233 0.000 2.158 72 D HA -0.061 4.579 4.640 -0.000 0.000 0.197 72 D C 2.316 178.597 176.300 -0.032 0.000 0.995 72 D CA 1.458 55.404 54.000 -0.090 0.000 0.846 72 D CB -0.909 39.872 40.800 -0.031 0.000 0.941 72 D HN 0.607 nan 8.370 nan 0.000 0.456 73 G N 0.019 108.817 108.800 -0.002 0.000 2.509 73 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.218 73 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.218 73 G C 1.610 176.539 174.900 0.048 0.000 1.124 73 G CA 0.025 45.156 45.100 0.051 0.000 0.776 73 G HN 0.278 nan 8.290 nan 0.000 0.547 74 L N -0.321 120.914 121.223 0.019 0.000 2.395 74 L HA 0.154 4.493 4.340 -0.000 0.000 0.218 74 L C 1.689 178.570 176.870 0.020 0.000 1.130 74 L CA 0.485 55.340 54.840 0.024 0.000 0.826 74 L CB 0.036 42.093 42.059 -0.003 0.000 0.941 74 L HN 0.219 nan 8.230 nan 0.000 0.451 75 T N -2.386 112.179 114.554 0.019 0.000 2.762 75 T HA 0.289 4.639 4.350 -0.000 0.000 0.272 75 T C -0.472 174.281 174.700 0.088 0.000 0.982 75 T CA -0.458 61.684 62.100 0.070 0.000 1.013 75 T CB 1.974 70.875 68.868 0.056 0.000 1.309 75 T HN -0.125 nan 8.240 nan 0.000 0.572 76 S N 1.650 117.440 115.700 0.151 0.000 2.532 76 S HA 0.359 4.829 4.470 -0.000 0.000 0.318 76 S C 0.888 175.542 174.600 0.090 0.000 1.083 76 S CA -0.709 57.532 58.200 0.067 0.000 1.131 76 S CB 0.330 63.521 63.200 -0.014 0.000 0.973 76 S HN 0.577 nan 8.310 nan 0.000 0.468 77 L N 4.412 125.667 121.223 0.052 0.000 2.083 77 L HA 0.013 4.353 4.340 -0.000 0.000 0.209 77 L C 1.734 178.583 176.870 -0.034 0.000 1.083 77 L CA 1.898 56.761 54.840 0.038 0.000 0.752 77 L CB -0.406 41.642 42.059 -0.019 0.000 0.899 77 L HN 0.600 nan 8.230 nan 0.000 0.433 78 D N -0.926 119.429 120.400 -0.076 0.000 2.182 78 D HA -0.232 4.408 4.640 -0.000 0.000 0.201 78 D C 2.284 178.500 176.300 -0.139 0.000 0.986 78 D CA 1.008 54.942 54.000 -0.110 0.000 0.847 78 D CB -0.097 40.650 40.800 -0.087 0.000 0.942 78 D HN 0.312 nan 8.370 nan 0.000 0.467 79 R N -0.973 119.403 120.500 -0.206 0.000 2.115 79 R HA -0.099 4.241 4.340 -0.000 0.000 0.226 79 R C 1.272 177.315 176.300 -0.429 0.000 1.100 79 R CA 0.980 56.842 56.100 -0.396 0.000 0.980 79 R CB 0.103 29.996 30.300 -0.678 0.000 0.875 79 R HN 0.224 nan 8.270 nan 0.000 0.445 80 Y N 0.267 120.546 120.300 -0.035 0.000 2.535 80 Y HA 0.150 4.700 4.550 -0.000 0.000 0.264 80 Y C 0.127 176.019 175.900 -0.014 0.000 1.087 80 Y CA -0.299 57.785 58.100 -0.027 0.000 1.285 80 Y CB 0.227 38.669 38.460 -0.030 0.000 1.200 80 Y HN -0.092 nan 8.280 nan 0.000 0.514 81 K N 1.360 121.823 120.400 0.105 0.000 2.436 81 K HA 0.308 4.628 4.320 -0.000 0.000 0.275 81 K C 0.605 177.239 176.600 0.058 0.000 0.999 81 K CA 0.126 56.487 56.287 0.124 0.000 0.980 81 K CB 0.628 33.127 32.500 -0.001 0.000 0.919 81 K HN 0.145 nan 8.250 nan 0.000 0.484 82 G N 2.580 111.446 108.800 0.111 0.000 2.544 82 G HA2 0.192 4.152 3.960 -0.000 0.000 0.242 82 G HA3 0.192 4.152 3.960 -0.000 0.000 0.242 82 G C -0.786 174.081 174.900 -0.056 0.000 1.247 82 G CA -0.833 44.210 45.100 -0.094 0.000 0.840 82 G HN 0.660 nan 8.290 nan 0.000 0.578 83 R N 0.337 120.725 120.500 -0.186 0.000 2.483 83 R HA 0.260 4.600 4.340 -0.000 0.000 0.303 83 R C -0.975 175.340 176.300 0.027 0.000 0.987 83 R CA -0.624 55.410 56.100 -0.109 0.000 0.881 83 R CB 1.716 31.795 30.300 -0.368 0.000 1.177 83 R HN 0.533 nan 8.270 nan 0.000 0.451 84 C N 5.247 124.591 119.300 0.073 0.000 2.520 84 C HA 0.172 4.632 4.460 -0.000 0.000 0.369 84 C C 1.004 176.092 174.990 0.164 0.000 1.244 84 C CA -0.341 58.745 59.018 0.114 0.000 1.677 84 C CB -1.179 26.653 27.740 0.152 0.000 2.324 84 C HN 0.977 nan 8.230 nan 0.000 0.557 85 Y N 2.023 122.407 120.300 0.140 0.000 2.481 85 Y HA 0.537 5.087 4.550 -0.000 0.000 0.247 85 Y C 0.165 176.143 175.900 0.129 0.000 1.151 85 Y CA -0.470 57.688 58.100 0.097 0.000 1.238 85 Y CB 0.023 38.597 38.460 0.190 0.000 1.179 85 Y HN 0.523 nan 8.280 nan 0.000 0.524 86 D N 0.496 120.831 120.400 -0.108 0.000 2.745 86 D HA 0.443 5.083 4.640 -0.000 0.000 0.221 86 D C -1.746 174.669 176.300 0.192 0.000 1.237 86 D CA -0.373 53.654 54.000 0.045 0.000 0.781 86 D CB 1.841 42.583 40.800 -0.098 0.000 1.575 86 D HN 0.181 nan 8.370 nan 0.000 0.482 87 I N 2.300 123.004 120.570 0.223 0.000 2.500 87 I HA 0.281 4.450 4.170 -0.000 0.000 0.286 87 I C -0.389 175.863 176.117 0.226 0.000 1.063 87 I CA -0.563 60.856 61.300 0.198 0.000 1.062 87 I CB 1.956 40.001 38.000 0.075 0.000 1.223 87 I HN 0.160 nan 8.210 nan 0.000 0.435 88 E N 7.755 128.118 120.200 0.272 0.000 2.175 88 E HA 0.375 4.725 4.350 -0.000 0.000 0.278 88 E C -2.393 174.346 176.600 0.233 0.000 0.969 88 E CA -1.863 54.678 56.400 0.235 0.000 0.796 88 E CB 1.546 31.398 29.700 0.254 0.000 1.104 88 E HN 0.251 nan 8.360 nan 0.000 0.395 89 P HA 0.015 nan 4.420 nan 0.000 0.275 89 P C -0.449 176.832 177.300 -0.032 0.000 1.227 89 P CA -0.221 62.899 63.100 0.033 0.000 0.781 89 P CB 0.796 32.513 31.700 0.029 0.000 0.906 90 V N 5.452 125.287 119.914 -0.133 0.000 2.432 90 V HA 0.184 4.304 4.120 -0.000 0.000 0.271 90 V C -1.681 174.369 176.094 -0.074 0.000 1.046 90 V CA -1.714 60.543 62.300 -0.073 0.000 0.945 90 V CB 0.551 32.332 31.823 -0.071 0.000 0.992 90 V HN 0.575 nan 8.190 nan 0.000 0.471 91 P HA 0.191 nan 4.420 nan 0.000 0.267 91 P C 0.858 178.140 177.300 -0.031 0.000 1.209 91 P CA 0.986 64.067 63.100 -0.032 0.000 0.763 91 P CB 0.935 32.623 31.700 -0.020 0.000 0.816 92 G N 1.817 110.597 108.800 -0.033 0.000 2.175 92 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.244 92 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.244 92 G C -0.155 174.723 174.900 -0.037 0.000 0.982 92 G CA -0.288 44.796 45.100 -0.026 0.000 0.641 92 G HN 0.568 nan 8.290 nan 0.000 0.527 93 E N 0.320 120.481 120.200 -0.064 0.000 2.234 93 E HA 0.442 4.792 4.350 -0.000 0.000 0.266 93 E C -0.034 176.490 176.600 -0.127 0.000 0.877 93 E CA -0.366 55.982 56.400 -0.087 0.000 0.758 93 E CB 1.519 31.156 29.700 -0.104 0.000 1.170 93 E HN 0.269 nan 8.360 nan 0.000 0.415 94 D N 1.042 121.385 120.400 -0.095 0.000 2.213 94 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 94 D C 0.863 177.090 176.300 -0.122 0.000 0.961 94 D CA 0.610 54.559 54.000 -0.086 0.000 0.853 94 D CB 0.247 41.027 40.800 -0.033 0.000 0.967 94 D HN 0.174 nan 8.370 nan 0.000 0.496 95 N N -0.180 118.441 118.700 -0.131 0.000 2.377 95 N HA 0.096 4.836 4.740 -0.000 0.000 0.259 95 N C -1.212 174.221 175.510 -0.129 0.000 1.332 95 N CA -0.086 52.919 53.050 -0.075 0.000 0.877 95 N CB 0.436 38.941 38.487 0.029 0.000 1.299 95 N HN -0.034 nan 8.380 nan 0.000 0.501 96 Q N 0.314 119.900 119.800 -0.357 0.000 2.337 96 Q HA 0.404 4.744 4.340 -0.000 0.000 0.266 96 Q C -1.479 174.195 176.000 -0.543 0.000 1.023 96 Q CA -0.672 54.974 55.803 -0.261 0.000 0.829 96 Q CB 1.853 30.516 28.738 -0.126 0.000 1.306 96 Q HN 0.228 nan 8.270 nan 0.000 0.449 97 Y N 1.030 121.326 120.300 -0.006 0.000 2.524 97 Y HA 0.410 4.960 4.550 -0.000 0.000 0.347 97 Y C -0.397 175.488 175.900 -0.025 0.000 1.005 97 Y CA -1.122 56.974 58.100 -0.008 0.000 1.025 97 Y CB 1.375 39.822 38.460 -0.022 0.000 1.275 97 Y HN 0.421 nan 8.280 nan 0.000 0.460 98 I N 2.760 123.405 120.570 0.125 0.000 2.297 98 I HA 0.419 4.589 4.170 -0.000 0.000 0.291 98 I C 0.178 176.247 176.117 -0.080 0.000 1.033 98 I CA -0.699 60.580 61.300 -0.035 0.000 1.253 98 I CB 0.261 38.216 38.000 -0.075 0.000 1.396 98 I HN 0.701 nan 8.210 nan 0.000 0.476 99 A N 7.515 130.275 122.820 -0.101 0.000 2.274 99 A HA 0.577 4.897 4.320 -0.000 0.000 0.309 99 A C -1.062 176.431 177.584 -0.151 0.000 1.226 99 A CA -0.339 51.662 52.037 -0.060 0.000 0.853 99 A CB 0.159 19.135 19.000 -0.040 0.000 1.146 99 A HN 0.533 nan 8.150 nan 0.000 0.518 100 Y N 1.790 122.035 120.300 -0.092 0.000 2.326 100 Y HA 0.460 5.010 4.550 -0.000 0.000 0.337 100 Y C 0.184 175.923 175.900 -0.268 0.000 1.023 100 Y CA -0.238 57.742 58.100 -0.200 0.000 1.143 100 Y CB 1.668 39.796 38.460 -0.553 0.000 1.183 100 Y HN 0.392 nan 8.280 nan 0.000 0.485 101 V N 3.186 123.211 119.914 0.186 0.000 2.555 101 V HA 0.797 4.917 4.120 -0.000 0.000 0.302 101 V C -0.346 175.869 176.094 0.201 0.000 1.038 101 V CA -1.031 61.342 62.300 0.122 0.000 0.887 101 V CB 1.655 33.494 31.823 0.027 0.000 0.991 101 V HN 0.836 nan 8.190 nan 0.000 0.434 102 A N 4.241 127.136 122.820 0.125 0.000 2.318 102 A HA 0.888 5.208 4.320 -0.000 0.000 0.324 102 A C -1.339 176.144 177.584 -0.169 0.000 1.170 102 A CA -0.347 51.743 52.037 0.089 0.000 0.810 102 A CB 0.634 19.730 19.000 0.161 0.000 1.198 102 A HN 0.725 nan 8.150 nan 0.000 0.484 106 D N 1.673 122.157 120.400 0.138 0.000 2.311 106 D HA -0.045 4.595 4.640 -0.000 0.000 0.212 106 D C 1.991 178.318 176.300 0.046 0.000 0.972 106 D CA 1.217 55.298 54.000 0.134 0.000 0.887 106 D CB 0.020 40.956 40.800 0.227 0.000 0.915 106 D HN 0.430 nan 8.370 nan 0.000 0.497 107 L N -0.873 120.281 121.223 -0.116 0.000 2.478 107 L HA 0.021 4.361 4.340 -0.000 0.000 0.223 107 L C 0.066 176.566 176.870 -0.618 0.000 1.140 107 L CA 0.308 54.874 54.840 -0.457 0.000 0.842 107 L CB -0.116 41.493 42.059 -0.749 0.000 0.953 107 L HN -0.098 nan 8.230 nan 0.000 0.452 108 F N -0.353 119.561 119.950 -0.060 0.000 2.495 108 F HA 0.301 4.828 4.527 -0.000 0.000 0.327 108 F C 0.623 176.455 175.800 0.053 0.000 1.103 108 F CA -1.184 56.775 58.000 -0.068 0.000 0.949 108 F CB 1.132 39.909 39.000 -0.371 0.000 1.142 108 F HN -0.181 nan 8.300 nan 0.000 0.457 109 E N 2.163 122.518 120.200 0.258 0.000 2.324 109 E HA 0.095 4.445 4.350 -0.000 0.000 0.271 109 E C -0.675 176.052 176.600 0.211 0.000 1.028 109 E CA -0.521 55.984 56.400 0.176 0.000 0.890 109 E CB 0.535 30.294 29.700 0.098 0.000 1.004 109 E HN 0.506 nan 8.360 nan 0.000 0.431 110 E N 2.580 122.845 120.200 0.108 0.000 2.529 110 E HA 0.107 4.457 4.350 -0.000 0.000 0.259 110 E C 0.873 177.233 176.600 -0.401 0.000 0.966 110 E CA 1.385 57.737 56.400 -0.081 0.000 0.937 110 E CB 0.398 30.056 29.700 -0.070 0.000 0.923 110 E HN 0.802 nan 8.360 nan 0.000 0.468 111 G N 2.615 110.749 108.800 -1.111 0.000 2.153 111 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.252 111 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.252 111 G C 0.268 174.738 174.900 -0.717 0.000 0.994 111 G CA 0.458 44.699 45.100 -1.433 0.000 0.698 111 G HN 0.572 nan 8.290 nan 0.000 0.521 112 S N -0.568 114.927 115.700 -0.343 0.000 2.622 112 S HA 0.525 4.995 4.470 -0.000 0.000 0.283 112 S C 1.458 176.219 174.600 0.268 0.000 1.197 112 S CA 0.156 58.399 58.200 0.071 0.000 1.146 112 S CB 1.219 64.459 63.200 0.067 0.000 1.007 112 S HN 0.580 nan 8.310 nan 0.000 0.478 113 V N 4.560 124.623 119.914 0.248 0.000 2.407 113 V HA -0.129 3.991 4.120 -0.000 0.000 0.248 113 V C 2.608 178.579 176.094 -0.205 0.000 1.055 113 V CA 2.475 64.722 62.300 -0.088 0.000 1.049 113 V CB -1.022 30.453 31.823 -0.580 0.000 0.662 113 V HN 0.834 nan 8.190 nan 0.000 0.455 114 T N 0.126 114.626 114.554 -0.090 0.000 2.665 114 T HA -0.276 4.074 4.350 -0.000 0.000 0.268 114 T C 1.921 176.696 174.700 0.125 0.000 1.035 114 T CA 2.061 64.178 62.100 0.029 0.000 1.151 114 T CB -0.478 68.449 68.868 0.100 0.000 0.862 114 T HN 0.594 nan 8.240 nan 0.000 0.438 115 N N 0.411 119.206 118.700 0.158 0.000 2.171 115 N HA -0.055 4.685 4.740 -0.000 0.000 0.184 115 N C 2.121 177.799 175.510 0.281 0.000 1.021 115 N CA 1.048 54.214 53.050 0.194 0.000 0.854 115 N CB -0.217 38.383 38.487 0.188 0.000 0.994 115 N HN 0.401 nan 8.380 nan 0.000 0.426 116 M N -0.211 119.604 119.600 0.358 0.000 2.080 116 M HA -0.177 4.303 4.480 -0.000 0.000 0.260 116 M C 1.529 178.005 176.300 0.293 0.000 1.068 116 M CA 1.576 57.100 55.300 0.375 0.000 1.109 116 M CB -0.194 32.554 32.600 0.246 0.000 1.342 116 M HN 0.027 nan 8.290 nan 0.000 0.405 117 F N 0.559 120.512 119.950 0.005 0.000 2.171 117 F HA -0.169 4.358 4.527 -0.000 0.000 0.300 117 F C 2.523 178.356 175.800 0.055 0.000 1.090 117 F CA 1.823 59.826 58.000 0.005 0.000 1.293 117 F CB -1.301 37.685 39.000 -0.022 0.000 1.013 117 F HN 0.198 nan 8.300 nan 0.000 0.486 118 T N -1.231 113.473 114.554 0.250 0.000 2.720 118 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 118 T C 2.343 177.110 174.700 0.112 0.000 1.037 118 T CA 1.706 63.903 62.100 0.163 0.000 1.144 118 T CB -0.444 68.501 68.868 0.129 0.000 0.864 118 T HN 0.156 nan 8.240 nan 0.000 0.444 119 S N 0.801 116.552 115.700 0.086 0.000 2.335 119 S HA 0.087 4.557 4.470 -0.000 0.000 0.217 119 S C 2.068 176.686 174.600 0.030 0.000 1.032 119 S CA 0.826 59.037 58.200 0.017 0.000 0.985 119 S CB -0.312 62.833 63.200 -0.093 0.000 0.896 119 S HN 0.410 nan 8.310 nan 0.000 0.445 120 I N 1.439 122.008 120.570 -0.001 0.000 2.439 120 I HA -0.062 4.107 4.170 -0.000 0.000 0.251 120 I C 1.669 177.931 176.117 0.242 0.000 1.139 120 I CA 1.008 62.326 61.300 0.031 0.000 1.438 120 I CB -0.131 37.779 38.000 -0.150 0.000 1.085 120 I HN 0.257 nan 8.210 nan 0.000 0.427 121 V N -3.137 116.870 119.914 0.154 0.000 3.346 121 V HA 0.463 4.583 4.120 -0.000 0.000 0.309 121 V C 1.705 177.926 176.094 0.212 0.000 1.457 121 V CA 0.299 62.756 62.300 0.261 0.000 1.069 121 V CB -0.385 31.386 31.823 -0.087 0.000 0.944 121 V HN 0.227 nan 8.190 nan 0.000 0.449 122 G N 1.930 110.838 108.800 0.180 0.000 2.511 122 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 122 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 122 G C 1.224 176.233 174.900 0.181 0.000 1.218 122 G CA 1.520 46.713 45.100 0.155 0.000 0.788 122 G HN 0.550 nan 8.290 nan 0.000 0.560 123 N N -0.429 118.397 118.700 0.210 0.000 2.382 123 N HA 0.005 4.745 4.740 -0.000 0.000 0.200 123 N C 2.296 178.017 175.510 0.352 0.000 1.122 123 N CA 0.921 54.125 53.050 0.256 0.000 0.870 123 N CB 0.259 38.904 38.487 0.263 0.000 1.176 123 N HN 0.292 nan 8.380 nan 0.000 0.474 124 V N -1.104 118.948 119.914 0.230 0.000 2.594 124 V HA -0.063 4.056 4.120 -0.000 0.000 0.253 124 V C 1.665 177.789 176.094 0.051 0.000 1.069 124 V CA 1.302 63.596 62.300 -0.010 0.000 1.082 124 V CB -1.183 30.399 31.823 -0.401 0.000 0.680 124 V HN -0.066 nan 8.190 nan 0.000 0.469 125 F N 2.397 122.402 119.950 0.092 0.000 2.502 125 F HA 0.298 4.825 4.527 -0.000 0.000 0.298 125 F C 2.335 178.262 175.800 0.211 0.000 1.111 125 F CA 1.127 59.205 58.000 0.130 0.000 1.445 125 F CB -0.627 38.434 39.000 0.102 0.000 1.081 125 F HN 0.333 nan 8.300 nan 0.000 0.558 126 G N -1.597 107.415 108.800 0.354 0.000 3.126 126 G HA2 0.033 3.993 3.960 -0.000 0.000 0.224 126 G HA3 0.033 3.993 3.960 -0.000 0.000 0.224 126 G C 0.133 175.118 174.900 0.142 0.000 1.142 126 G CA -0.209 45.021 45.100 0.217 0.000 0.759 126 G HN 0.022 nan 8.290 nan 0.000 0.550 127 F N 1.456 121.414 119.950 0.013 0.000 2.538 127 F HA 0.228 4.755 4.527 -0.000 0.000 0.371 127 F C 1.742 177.533 175.800 -0.015 0.000 1.087 127 F CA 0.009 57.997 58.000 -0.021 0.000 1.250 127 F CB 1.180 40.136 39.000 -0.072 0.000 1.110 127 F HN -0.055 nan 8.300 nan 0.000 0.570 128 K N 2.692 123.105 120.400 0.021 0.000 2.152 128 K HA -0.183 4.137 4.320 -0.000 0.000 0.206 128 K C 1.969 178.607 176.600 0.064 0.000 1.048 128 K CA 1.342 57.640 56.287 0.018 0.000 0.933 128 K CB -0.167 32.311 32.500 -0.036 0.000 0.721 128 K HN 0.717 nan 8.250 nan 0.000 0.447 129 A N 1.181 124.074 122.820 0.121 0.000 2.172 129 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 129 A C 0.755 178.372 177.584 0.054 0.000 1.154 129 A CA 0.607 52.702 52.037 0.096 0.000 0.701 129 A CB -0.519 18.564 19.000 0.138 0.000 0.789 129 A HN 0.250 nan 8.150 nan 0.000 0.465 130 L N -5.979 115.281 121.223 0.062 0.000 2.341 130 L HA 0.687 5.027 4.340 -0.000 0.000 0.267 130 L C 0.542 177.444 176.870 0.053 0.000 1.009 130 L CA -0.791 54.068 54.840 0.031 0.000 0.819 130 L CB 1.405 43.450 42.059 -0.022 0.000 1.323 130 L HN -0.036 nan 8.230 nan 0.000 0.425 131 R N 1.206 121.737 120.500 0.053 0.000 2.206 131 R HA 0.687 5.027 4.340 -0.000 0.000 0.198 131 R C -0.037 176.318 176.300 0.091 0.000 0.986 131 R CA 0.616 56.749 56.100 0.056 0.000 1.029 131 R CB 0.561 30.889 30.300 0.046 0.000 0.966 131 R HN 0.851 nan 8.270 nan 0.000 0.487 132 A N 0.809 123.706 122.820 0.129 0.000 2.605 132 A HA 0.610 4.930 4.320 -0.000 0.000 0.294 132 A C -2.091 175.591 177.584 0.163 0.000 1.062 132 A CA -0.610 51.588 52.037 0.268 0.000 0.682 132 A CB 1.738 20.868 19.000 0.217 0.000 1.278 132 A HN 0.039 nan 8.150 nan 0.000 0.410 133 L N 0.638 121.955 121.223 0.158 0.000 2.526 133 L HA 0.741 5.081 4.340 -0.000 0.000 0.263 133 L C -0.716 176.104 176.870 -0.082 0.000 0.943 133 L CA -0.087 54.658 54.840 -0.158 0.000 0.859 133 L CB 1.913 43.602 42.059 -0.616 0.000 1.313 133 L HN 0.812 nan 8.230 nan 0.000 0.406 134 R N 4.109 124.639 120.500 0.050 0.000 2.532 134 R HA 0.525 4.865 4.340 -0.000 0.000 0.297 134 R C -1.661 174.720 176.300 0.135 0.000 0.984 134 R CA -0.948 55.251 56.100 0.164 0.000 0.884 134 R CB 1.714 32.079 30.300 0.109 0.000 1.182 134 R HN 0.666 nan 8.270 nan 0.000 0.442 135 L N 4.740 126.075 121.223 0.186 0.000 2.385 135 L HA 0.165 4.505 4.340 -0.000 0.000 0.281 135 L C 0.856 177.629 176.870 -0.161 0.000 1.106 135 L CA 0.662 55.414 54.840 -0.146 0.000 0.856 135 L CB 0.880 42.847 42.059 -0.153 0.000 1.186 135 L HN 0.678 nan 8.230 nan 0.000 0.453 136 E N 2.262 122.266 120.200 -0.326 0.000 2.140 136 E HA 0.090 4.440 4.350 -0.000 0.000 0.191 136 E C -0.167 176.234 176.600 -0.333 0.000 0.973 136 E CA 0.526 56.693 56.400 -0.387 0.000 0.829 136 E CB 0.378 29.544 29.700 -0.890 0.000 0.781 136 E HN 0.686 nan 8.360 nan 0.000 0.466 137 D N -1.206 119.006 120.400 -0.313 0.000 2.653 137 D HA 0.408 5.048 4.640 -0.000 0.000 0.258 137 D C -1.501 174.850 176.300 0.084 0.000 1.252 137 D CA -0.465 53.512 54.000 -0.038 0.000 0.777 137 D CB 1.403 42.242 40.800 0.065 0.000 1.339 137 D HN -0.155 nan 8.370 nan 0.000 0.422 138 L N 1.185 122.469 121.223 0.102 0.000 2.431 138 L HA 0.511 4.851 4.340 -0.000 0.000 0.266 138 L C -0.308 176.446 176.870 -0.193 0.000 0.978 138 L CA -0.902 53.881 54.840 -0.095 0.000 0.822 138 L CB 2.341 44.304 42.059 -0.160 0.000 1.310 138 L HN 0.174 nan 8.230 nan 0.000 0.409 139 R N 4.126 124.296 120.500 -0.550 0.000 2.233 139 R HA 0.369 4.709 4.340 -0.000 0.000 0.334 139 R C -0.889 175.195 176.300 -0.360 0.000 1.037 139 R CA -0.687 55.113 56.100 -0.500 0.000 0.920 139 R CB 0.405 30.257 30.300 -0.746 0.000 1.137 139 R HN 0.429 nan 8.270 nan 0.000 0.492 140 I N 7.377 127.743 120.570 -0.341 0.000 2.322 140 I HA 0.238 4.408 4.170 -0.000 0.000 0.292 140 I C -1.927 174.038 176.117 -0.255 0.000 1.060 140 I CA -2.781 58.352 61.300 -0.279 0.000 1.309 140 I CB 0.697 38.498 38.000 -0.333 0.000 1.415 140 I HN 0.222 nan 8.210 nan 0.000 0.492 141 P HA 0.239 nan 4.420 nan 0.000 0.275 141 P C -2.240 175.042 177.300 -0.029 0.000 1.228 141 P CA -1.558 61.492 63.100 -0.084 0.000 0.786 141 P CB 0.502 32.181 31.700 -0.035 0.000 0.927 142 P HA -0.248 nan 4.420 nan 0.000 0.218 142 P C 1.479 178.821 177.300 0.070 0.000 1.154 142 P CA 2.521 65.635 63.100 0.023 0.000 0.872 142 P CB -0.479 31.242 31.700 0.034 0.000 0.790 143 A N -2.557 120.312 122.820 0.082 0.000 2.015 143 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 143 A C 2.164 179.867 177.584 0.197 0.000 1.163 143 A CA 1.230 53.334 52.037 0.113 0.000 0.646 143 A CB -1.533 17.524 19.000 0.095 0.000 0.806 143 A HN 0.150 nan 8.150 nan 0.000 0.448 144 Y N -0.055 120.272 120.300 0.045 0.000 2.269 144 Y HA -0.022 4.528 4.550 -0.000 0.000 0.294 144 Y C 2.404 178.446 175.900 0.235 0.000 1.120 144 Y CA 0.969 59.130 58.100 0.103 0.000 1.159 144 Y CB -0.394 38.086 38.460 0.033 0.000 1.024 144 Y HN 0.049 nan 8.280 nan 0.000 0.532 145 V N 0.874 120.865 119.914 0.129 0.000 2.317 145 V HA -0.362 3.758 4.120 -0.000 0.000 0.251 145 V C 2.313 178.521 176.094 0.190 0.000 1.065 145 V CA 2.214 64.577 62.300 0.105 0.000 1.049 145 V CB -0.548 31.316 31.823 0.067 0.000 0.651 145 V HN 0.263 nan 8.190 nan 0.000 0.450 146 K N 0.456 120.932 120.400 0.127 0.000 2.360 146 K HA -0.108 4.212 4.320 -0.000 0.000 0.201 146 K C 2.112 178.741 176.600 0.048 0.000 1.046 146 K CA 1.613 57.955 56.287 0.093 0.000 0.945 146 K CB -0.850 31.693 32.500 0.073 0.000 0.750 146 K HN 0.781 nan 8.250 nan 0.000 0.464 147 T N -1.986 112.565 114.554 -0.006 0.000 3.118 147 T HA 0.037 4.387 4.350 -0.000 0.000 0.260 147 T C 0.534 175.024 174.700 -0.349 0.000 1.139 147 T CA 0.006 61.988 62.100 -0.197 0.000 1.085 147 T CB -0.256 68.412 68.868 -0.334 0.000 0.934 147 T HN -0.144 nan 8.240 nan 0.000 0.518 148 F N 0.489 120.354 119.950 -0.142 0.000 2.421 148 F HA 0.527 5.054 4.527 -0.000 0.000 0.337 148 F C 1.343 177.100 175.800 -0.072 0.000 1.105 148 F CA -1.324 56.603 58.000 -0.121 0.000 1.049 148 F CB 1.609 40.523 39.000 -0.143 0.000 1.139 148 F HN -0.263 nan 8.300 nan 0.000 0.479 149 V N 2.461 122.426 119.914 0.086 0.000 2.287 149 V HA -0.037 4.082 4.120 -0.000 0.000 0.248 149 V C 1.379 177.496 176.094 0.039 0.000 1.053 149 V CA 1.712 64.034 62.300 0.036 0.000 1.027 149 V CB -1.347 30.477 31.823 0.002 0.000 0.646 149 V HN 1.164 nan 8.190 nan 0.000 0.447 153 H N -0.788 118.256 119.070 -0.044 0.000 1.837 153 H HA 0.494 5.050 4.556 -0.000 0.000 0.168 153 H C 0.998 176.314 175.328 -0.021 0.000 0.966 153 H CA 1.213 57.245 56.048 -0.026 0.000 1.037 153 H CB 0.519 30.268 29.762 -0.022 0.000 1.008 153 H HN 0.289 nan 8.280 nan 0.000 0.340 154 G N 1.044 109.897 108.800 0.090 0.000 2.707 154 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.686 154 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.686 154 G C 0.772 175.713 174.900 0.069 0.000 1.315 154 G CA -0.068 45.055 45.100 0.038 0.000 0.832 154 G HN 0.197 nan 8.290 nan 0.000 0.573 155 I N 0.301 120.901 120.570 0.050 0.000 2.118 155 I HA -0.283 3.887 4.170 -0.000 0.000 0.241 155 I C 2.999 179.165 176.117 0.081 0.000 1.070 155 I CA 2.511 63.851 61.300 0.066 0.000 1.327 155 I CB -0.355 37.673 38.000 0.048 0.000 1.034 155 I HN 0.680 nan 8.210 nan 0.000 0.405 156 Q N 0.044 119.892 119.800 0.079 0.000 2.096 156 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 156 Q C 2.298 178.360 176.000 0.103 0.000 0.982 156 Q CA 1.628 57.491 55.803 0.099 0.000 0.850 156 Q CB -0.348 28.441 28.738 0.084 0.000 0.901 156 Q HN 0.367 nan 8.270 nan 0.000 0.422 157 V N 0.549 120.518 119.914 0.093 0.000 2.453 157 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 157 V C 2.164 178.289 176.094 0.051 0.000 1.048 157 V CA 1.902 64.255 62.300 0.089 0.000 1.049 157 V CB -0.505 31.395 31.823 0.127 0.000 0.672 157 V HN 0.429 nan 8.190 nan 0.000 0.457 158 E N 0.432 120.666 120.200 0.057 0.000 2.038 158 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 158 E C 2.481 179.092 176.600 0.019 0.000 1.000 158 E CA 1.569 57.991 56.400 0.037 0.000 0.803 158 E CB -0.095 29.665 29.700 0.100 0.000 0.750 158 E HN 0.490 nan 8.360 nan 0.000 0.448 159 R N 0.320 120.828 120.500 0.014 0.000 2.091 159 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 159 R C 2.039 178.223 176.300 -0.193 0.000 1.136 159 R CA 1.599 57.626 56.100 -0.121 0.000 0.959 159 R CB -0.242 30.032 30.300 -0.045 0.000 0.856 159 R HN 0.305 nan 8.270 nan 0.000 0.437 160 D N 0.409 120.831 120.400 0.036 0.000 2.144 160 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 160 D C 1.692 178.015 176.300 0.039 0.000 0.978 160 D CA 1.205 55.279 54.000 0.124 0.000 0.833 160 D CB -0.014 40.878 40.800 0.154 0.000 0.961 160 D HN 0.197 nan 8.370 nan 0.000 0.470 161 K N 0.056 120.455 120.400 -0.002 0.000 2.155 161 K HA 0.041 4.361 4.320 -0.000 0.000 0.203 161 K C 2.100 178.685 176.600 -0.025 0.000 1.052 161 K CA 0.445 56.720 56.287 -0.020 0.000 0.948 161 K CB 0.097 32.556 32.500 -0.067 0.000 0.728 161 K HN 0.148 nan 8.250 nan 0.000 0.448 162 L N 0.176 121.367 121.223 -0.052 0.000 2.446 162 L HA 0.011 4.351 4.340 -0.000 0.000 0.219 162 L C 0.586 177.380 176.870 -0.126 0.000 1.116 162 L CA 0.095 54.895 54.840 -0.067 0.000 0.844 162 L CB -0.375 41.650 42.059 -0.056 0.000 0.970 162 L HN 0.379 nan 8.230 nan 0.000 0.457 163 N N 1.292 119.877 118.700 -0.193 0.000 2.758 163 N HA -0.174 4.566 4.740 -0.000 0.000 0.248 163 N C -0.565 174.701 175.510 -0.407 0.000 1.076 163 N CA 0.354 53.277 53.050 -0.212 0.000 0.696 163 N CB -0.399 38.082 38.487 -0.010 0.000 0.979 163 N HN 0.359 nan 8.380 nan 0.000 0.550 164 K N 1.525 121.484 120.400 -0.734 0.000 2.502 164 K HA 0.413 4.733 4.320 -0.000 0.000 0.254 164 K C -1.456 174.747 176.600 -0.661 0.000 0.947 164 K CA -0.344 55.642 56.287 -0.502 0.000 0.834 164 K CB 1.088 33.428 32.500 -0.267 0.000 1.112 164 K HN 0.123 nan 8.250 nan 0.000 0.427 165 Y N -0.590 119.718 120.300 0.014 0.000 2.562 165 Y HA 0.448 4.998 4.550 -0.000 0.000 0.345 165 Y C 0.993 176.904 175.900 0.018 0.000 1.045 165 Y CA -0.798 57.314 58.100 0.020 0.000 1.028 165 Y CB 2.556 41.028 38.460 0.019 0.000 1.297 165 Y HN 0.739 nan 8.280 nan 0.000 0.463 166 G N 1.365 110.278 108.800 0.187 0.000 2.157 166 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.239 166 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.239 166 G C -0.228 174.720 174.900 0.081 0.000 0.982 166 G CA 0.150 45.320 45.100 0.116 0.000 0.650 166 G HN 0.897 nan 8.290 nan 0.000 0.527 167 R N -1.278 119.264 120.500 0.072 0.000 2.728 167 R HA 0.638 4.978 4.340 -0.000 0.000 0.274 167 R C 0.374 176.703 176.300 0.047 0.000 1.030 167 R CA -0.547 55.587 56.100 0.056 0.000 0.876 167 R CB 0.150 30.476 30.300 0.043 0.000 1.259 167 R HN 0.966 nan 8.270 nan 0.000 0.468 168 G N 1.298 110.127 108.800 0.048 0.000 2.554 168 G HA2 0.330 4.290 3.960 -0.000 0.000 0.238 168 G HA3 0.330 4.290 3.960 -0.000 0.000 0.238 168 G C -0.074 174.840 174.900 0.024 0.000 1.259 168 G CA -0.770 44.350 45.100 0.034 0.000 0.843 168 G HN 0.373 nan 8.290 nan 0.000 0.582 169 L N 0.414 121.650 121.223 0.022 0.000 2.418 169 L HA 0.392 4.732 4.340 -0.000 0.000 0.265 169 L C 0.285 177.192 176.870 0.062 0.000 1.143 169 L CA -0.434 54.428 54.840 0.037 0.000 0.809 169 L CB 0.914 43.057 42.059 0.141 0.000 1.124 169 L HN 0.219 nan 8.230 nan 0.000 0.456 170 L N 1.433 122.687 121.223 0.052 0.000 2.341 170 L HA 0.680 5.020 4.340 -0.000 0.000 0.278 170 L C 0.259 177.203 176.870 0.124 0.000 1.005 170 L CA -0.289 54.612 54.840 0.101 0.000 0.818 170 L CB 1.785 43.886 42.059 0.069 0.000 1.259 170 L HN 0.721 nan 8.230 nan 0.000 0.418 171 G N 0.884 109.770 108.800 0.144 0.000 3.042 171 G HA2 0.649 4.609 3.960 -0.000 0.000 0.278 171 G HA3 0.649 4.609 3.960 -0.000 0.000 0.278 171 G C -1.838 173.091 174.900 0.048 0.000 1.371 171 G CA -0.512 44.641 45.100 0.087 0.000 1.009 171 G HN 0.661 nan 8.290 nan 0.000 0.523 172 C N -0.080 119.194 119.300 -0.044 0.000 3.135 172 C HA 0.584 5.044 4.460 -0.000 0.000 0.428 172 C C -0.379 174.570 174.990 -0.068 0.000 0.972 172 C CA -0.523 58.486 59.018 -0.015 0.000 1.218 172 C CB 0.347 28.099 27.740 0.020 0.000 1.595 172 C HN 0.850 nan 8.230 nan 0.000 0.576 173 T N 7.288 121.827 114.554 -0.024 0.000 2.749 173 T HA 0.382 4.731 4.350 -0.000 0.000 0.295 173 T C 0.571 175.268 174.700 -0.005 0.000 0.936 173 T CA -0.297 61.800 62.100 -0.006 0.000 1.060 173 T CB 0.289 69.183 68.868 0.044 0.000 0.904 173 T HN 0.569 nan 8.240 nan 0.000 0.500 174 I N 4.005 124.556 120.570 -0.031 0.000 2.710 174 I HA 0.144 4.313 4.170 -0.000 0.000 0.286 174 I C 0.725 176.814 176.117 -0.047 0.000 1.181 174 I CA 0.282 61.503 61.300 -0.131 0.000 1.430 174 I CB -0.194 37.505 38.000 -0.501 0.000 1.367 174 I HN 0.459 nan 8.210 nan 0.000 0.577 175 K N 6.532 126.905 120.400 -0.045 0.000 2.443 175 K HA 0.563 4.883 4.320 -0.000 0.000 0.251 175 K C -2.408 174.190 176.600 -0.002 0.000 0.972 175 K CA -1.650 54.642 56.287 0.008 0.000 0.833 175 K CB 1.565 34.084 32.500 0.031 0.000 1.317 175 K HN 0.294 nan 8.250 nan 0.000 0.441 176 P HA 0.126 nan 4.420 nan 0.000 0.270 176 P C 0.220 177.550 177.300 0.050 0.000 1.223 176 P CA -0.127 62.985 63.100 0.021 0.000 0.785 176 P CB 0.870 32.565 31.700 -0.008 0.000 0.923 177 K N 0.297 120.725 120.400 0.047 0.000 2.020 177 K HA -0.064 4.255 4.320 -0.000 0.000 0.212 177 K C 0.782 177.448 176.600 0.110 0.000 1.050 177 K CA 1.229 57.566 56.287 0.082 0.000 0.929 177 K CB -0.280 32.251 32.500 0.051 0.000 0.714 177 K HN 0.391 nan 8.250 nan 0.000 0.443 178 L N -1.858 119.362 121.223 -0.004 0.000 2.333 178 L HA 0.423 4.763 4.340 -0.000 0.000 0.263 178 L C 0.725 177.302 176.870 -0.487 0.000 1.014 178 L CA -0.341 54.391 54.840 -0.180 0.000 0.820 178 L CB 2.247 44.225 42.059 -0.135 0.000 1.352 178 L HN 0.470 nan 8.230 nan 0.000 0.421 179 G N 1.221 109.308 108.800 -1.189 0.000 2.253 179 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.209 179 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.209 179 G C -0.118 174.597 174.900 -0.309 0.000 0.997 179 G CA -0.603 43.981 45.100 -0.861 0.000 0.640 179 G HN 0.317 nan 8.290 nan 0.000 0.496 180 L N 2.612 123.808 121.223 -0.044 0.000 2.397 180 L HA 0.524 4.864 4.340 -0.000 0.000 0.271 180 L C 1.528 178.590 176.870 0.321 0.000 1.148 180 L CA 0.035 54.980 54.840 0.174 0.000 0.825 180 L CB 1.315 43.540 42.059 0.276 0.000 1.117 180 L HN 0.476 nan 8.230 nan 0.000 0.456 181 S N 1.729 117.564 115.700 0.224 0.000 2.614 181 S HA 0.285 4.755 4.470 -0.000 0.000 0.265 181 S C 1.093 175.804 174.600 0.185 0.000 1.303 181 S CA -0.178 58.140 58.200 0.197 0.000 1.000 181 S CB 1.522 64.781 63.200 0.098 0.000 0.935 181 S HN 0.703 nan 8.310 nan 0.000 0.551 182 A N 1.622 124.534 122.820 0.154 0.000 1.883 182 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 182 A C 2.139 179.735 177.584 0.021 0.000 1.186 182 A CA 2.139 54.298 52.037 0.204 0.000 0.624 182 A CB -1.130 18.090 19.000 0.367 0.000 0.822 182 A HN 0.983 nan 8.150 nan 0.000 0.444 183 K N -0.114 120.041 120.400 -0.409 0.000 2.057 183 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 183 K C 1.690 178.097 176.600 -0.322 0.000 1.049 183 K CA 1.826 57.573 56.287 -0.900 0.000 0.931 183 K CB -0.246 31.720 32.500 -0.890 0.000 0.714 183 K HN 0.410 nan 8.250 nan 0.000 0.440 184 N N -0.380 118.251 118.700 -0.116 0.000 2.223 184 N HA -0.157 4.583 4.740 -0.000 0.000 0.185 184 N C 1.494 177.029 175.510 0.041 0.000 1.016 184 N CA 1.020 54.058 53.050 -0.020 0.000 0.863 184 N CB -0.321 38.178 38.487 0.020 0.000 0.983 184 N HN 0.268 nan 8.380 nan 0.000 0.429 185 Y N 1.197 121.490 120.300 -0.011 0.000 2.145 185 Y HA -0.113 4.437 4.550 -0.000 0.000 0.286 185 Y C 2.462 178.365 175.900 0.004 0.000 1.145 185 Y CA 1.859 59.978 58.100 0.032 0.000 1.148 185 Y CB -0.639 37.871 38.460 0.083 0.000 0.981 185 Y HN 0.070 nan 8.280 nan 0.000 0.507 186 G N -0.614 108.280 108.800 0.157 0.000 2.422 186 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 186 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 186 G C 1.743 176.687 174.900 0.073 0.000 1.146 186 G CA 0.827 45.989 45.100 0.104 0.000 0.769 186 G HN 0.335 nan 8.290 nan 0.000 0.547 187 R N 0.592 121.109 120.500 0.027 0.000 2.080 187 R HA -0.045 4.295 4.340 -0.000 0.000 0.236 187 R C 2.820 179.160 176.300 0.066 0.000 1.137 187 R CA 1.744 57.883 56.100 0.064 0.000 0.943 187 R CB -0.472 29.833 30.300 0.009 0.000 0.846 187 R HN 0.265 nan 8.270 nan 0.000 0.431 188 A N 0.269 123.083 122.820 -0.011 0.000 1.902 188 A HA -0.095 4.224 4.320 -0.000 0.000 0.217 188 A C 2.311 179.865 177.584 -0.050 0.000 1.181 188 A CA 1.612 53.616 52.037 -0.055 0.000 0.623 188 A CB -0.556 18.362 19.000 -0.136 0.000 0.818 188 A HN 0.253 nan 8.150 nan 0.000 0.443 189 V N -1.066 118.825 119.914 -0.040 0.000 2.295 189 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 189 V C 2.398 178.518 176.094 0.043 0.000 1.049 189 V CA 2.204 64.504 62.300 0.000 0.000 1.024 189 V CB -1.070 30.735 31.823 -0.031 0.000 0.648 189 V HN 0.757 nan 8.190 nan 0.000 0.447 190 Y N 1.479 121.766 120.300 -0.021 0.000 2.145 190 Y HA -0.210 4.340 4.550 -0.000 0.000 0.286 190 Y C 2.549 178.445 175.900 -0.007 0.000 1.145 190 Y CA 1.937 60.033 58.100 -0.007 0.000 1.148 190 Y CB -0.358 38.105 38.460 0.004 0.000 0.981 190 Y HN 0.267 nan 8.280 nan 0.000 0.507 191 E N -0.298 119.677 120.200 -0.374 0.000 2.110 191 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 191 E C 2.477 178.921 176.600 -0.260 0.000 0.988 191 E CA 1.385 57.537 56.400 -0.415 0.000 0.804 191 E CB -0.884 28.710 29.700 -0.177 0.000 0.745 191 E HN 0.560 nan 8.360 nan 0.000 0.458 192 C N 0.851 120.060 119.300 -0.151 0.000 2.442 192 C HA -0.090 4.370 4.460 -0.000 0.000 0.279 192 C C 2.898 177.824 174.990 -0.107 0.000 1.237 192 C CA 0.402 59.360 59.018 -0.100 0.000 1.722 192 C CB -1.221 26.489 27.740 -0.050 0.000 2.056 192 C HN 0.364 nan 8.230 nan 0.000 0.469 193 L N 1.298 122.466 121.223 -0.092 0.000 2.042 193 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 193 L C 2.924 179.737 176.870 -0.095 0.000 1.076 193 L CA 1.986 56.785 54.840 -0.068 0.000 0.749 193 L CB -0.780 41.272 42.059 -0.012 0.000 0.893 193 L HN 0.507 nan 8.230 nan 0.000 0.432 194 R N 0.410 120.807 120.500 -0.172 0.000 2.189 194 R HA -0.064 4.276 4.340 -0.000 0.000 0.223 194 R C 1.928 178.153 176.300 -0.124 0.000 1.092 194 R CA 1.284 57.287 56.100 -0.161 0.000 0.989 194 R CB -0.701 29.400 30.300 -0.332 0.000 0.876 194 R HN 0.260 nan 8.270 nan 0.000 0.457 195 G N -0.580 108.139 108.800 -0.134 0.000 2.813 195 G HA2 0.242 4.202 3.960 -0.000 0.000 0.209 195 G HA3 0.242 4.202 3.960 -0.000 0.000 0.209 195 G C 0.910 175.762 174.900 -0.079 0.000 1.150 195 G CA 0.297 45.334 45.100 -0.104 0.000 0.785 195 G HN 0.589 nan 8.290 nan 0.000 0.535 196 G N -0.785 107.971 108.800 -0.075 0.000 2.273 196 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.162 196 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.162 196 G C 0.270 175.127 174.900 -0.071 0.000 1.006 196 G CA -0.358 44.704 45.100 -0.063 0.000 0.704 196 G HN 0.318 nan 8.290 nan 0.000 0.487 197 L N 1.544 122.724 121.223 -0.072 0.000 2.426 197 L HA 0.319 4.659 4.340 -0.000 0.000 0.271 197 L C 1.094 177.890 176.870 -0.123 0.000 1.169 197 L CA -0.535 54.264 54.840 -0.067 0.000 0.836 197 L CB 0.586 42.623 42.059 -0.036 0.000 1.112 197 L HN 0.016 nan 8.230 nan 0.000 0.465 198 D N 1.704 121.982 120.400 -0.203 0.000 2.194 198 D HA 0.027 4.667 4.640 -0.000 0.000 0.204 198 D C -0.098 175.847 176.300 -0.592 0.000 0.964 198 D CA 1.482 55.203 54.000 -0.464 0.000 0.846 198 D CB 0.280 40.674 40.800 -0.676 0.000 0.962 198 D HN 0.150 nan 8.370 nan 0.000 0.490 199 F N -0.308 119.604 119.950 -0.063 0.000 2.613 199 F HA 0.317 4.844 4.527 -0.000 0.000 0.314 199 F C 0.596 176.248 175.800 -0.247 0.000 1.075 199 F CA -1.055 56.843 58.000 -0.171 0.000 0.945 199 F CB 1.744 40.593 39.000 -0.252 0.000 1.310 199 F HN -0.349 nan 8.300 nan 0.000 0.467 203 D N 1.147 121.675 120.400 0.212 0.000 2.400 203 D HA -0.024 4.616 4.640 -0.000 0.000 0.238 203 D C 1.541 177.827 176.300 -0.022 0.000 1.157 203 D CA 0.068 54.118 54.000 0.083 0.000 0.889 203 D CB 1.031 41.894 40.800 0.105 0.000 1.199 203 D HN 0.423 nan 8.370 nan 0.000 0.436 204 E N 2.527 122.587 120.200 -0.233 0.000 2.171 204 E HA -0.275 4.075 4.350 -0.000 0.000 0.197 204 E C 0.718 177.216 176.600 -0.170 0.000 0.997 204 E CA 1.326 57.487 56.400 -0.398 0.000 0.810 204 E CB -0.373 28.717 29.700 -1.017 0.000 0.738 204 E HN 0.504 nan 8.360 nan 0.000 0.467 205 N N 0.953 119.604 118.700 -0.082 0.000 2.336 205 N HA 0.003 4.743 4.740 -0.000 0.000 0.189 205 N C 0.157 175.699 175.510 0.052 0.000 1.113 205 N CA -0.014 53.027 53.050 -0.014 0.000 0.858 205 N CB 0.038 38.529 38.487 0.006 0.000 0.970 205 N HN -0.040 nan 8.380 nan 0.000 0.471 206 V N 1.982 121.942 119.914 0.075 0.000 2.397 206 V HA 0.161 4.281 4.120 -0.000 0.000 0.262 206 V C 0.281 176.415 176.094 0.067 0.000 1.047 206 V CA -0.083 62.280 62.300 0.105 0.000 1.003 206 V CB -0.483 31.417 31.823 0.127 0.000 1.037 206 V HN 0.314 nan 8.190 nan 0.000 0.480 207 N N 2.633 121.356 118.700 0.038 0.000 2.927 207 N HA 0.256 4.996 4.740 -0.000 0.000 0.156 207 N C -0.235 175.293 175.510 0.031 0.000 1.474 207 N CA -0.370 52.696 53.050 0.026 0.000 1.124 207 N CB 0.641 39.119 38.487 -0.015 0.000 1.132 207 N HN 0.514 nan 8.380 nan 0.000 0.444 208 S N 0.136 115.829 115.700 -0.012 0.000 2.619 208 S HA 0.507 4.977 4.470 -0.000 0.000 0.280 208 S C -1.823 172.691 174.600 -0.143 0.000 1.150 208 S CA -0.388 57.806 58.200 -0.009 0.000 0.978 208 S CB 1.358 64.667 63.200 0.181 0.000 1.041 208 S HN 0.283 nan 8.310 nan 0.000 0.485 209 Q N 3.194 122.795 119.800 -0.331 0.000 2.511 209 Q HA 0.449 4.789 4.340 -0.000 0.000 0.289 209 Q C -2.174 173.545 176.000 -0.468 0.000 1.021 209 Q CA -1.665 53.858 55.803 -0.466 0.000 0.785 209 Q CB 1.816 30.057 28.738 -0.828 0.000 1.472 209 Q HN 0.284 nan 8.270 nan 0.000 0.411 210 P HA -0.202 nan 4.420 nan 0.000 0.217 210 P C 0.636 177.896 177.300 -0.067 0.000 1.151 210 P CA 1.485 64.524 63.100 -0.102 0.000 0.849 210 P CB 0.030 31.742 31.700 0.020 0.000 0.787 211 F N -2.676 117.287 119.950 0.023 0.000 2.367 211 F HA 0.237 4.764 4.527 -0.000 0.000 0.298 211 F C 1.066 176.884 175.800 0.030 0.000 1.094 211 F CA 0.291 58.307 58.000 0.028 0.000 1.409 211 F CB -0.573 38.448 39.000 0.035 0.000 1.064 211 F HN -0.192 nan 8.300 nan 0.000 0.528 212 M N 1.505 120.865 119.600 -0.400 0.000 2.284 212 M HA 0.336 4.816 4.480 -0.000 0.000 0.229 212 M C -1.295 174.848 176.300 -0.263 0.000 0.984 212 M CA -0.548 54.640 55.300 -0.187 0.000 1.016 212 M CB 0.919 33.518 32.600 -0.002 0.000 2.379 212 M HN -0.192 nan 8.290 nan 0.000 0.459 213 R N 3.455 123.858 120.500 -0.161 0.000 2.539 213 R HA 0.189 4.529 4.340 -0.000 0.000 0.275 213 R C 1.107 177.321 176.300 -0.143 0.000 1.077 213 R CA -0.113 55.891 56.100 -0.161 0.000 1.097 213 R CB 0.396 30.575 30.300 -0.203 0.000 1.018 213 R HN 0.923 nan 8.270 nan 0.000 0.483 214 W N 3.866 125.052 121.300 -0.191 0.000 2.358 214 W HA -0.116 4.544 4.660 -0.000 0.000 0.303 214 W C 1.114 177.444 176.519 -0.315 0.000 1.208 214 W CA 0.646 57.846 57.345 -0.242 0.000 1.274 214 W CB -0.448 28.785 29.460 -0.378 0.000 1.138 214 W HN 0.536 nan 8.180 nan 0.000 0.515 215 R N 0.938 120.670 120.500 -1.280 0.000 2.115 215 R HA -0.113 4.227 4.340 -0.000 0.000 0.226 215 R C 1.780 177.806 176.300 -0.458 0.000 1.100 215 R CA 1.736 57.117 56.100 -1.199 0.000 0.980 215 R CB -0.265 29.132 30.300 -1.505 0.000 0.875 215 R HN -0.011 nan 8.270 nan 0.000 0.445 216 D N -0.009 120.194 120.400 -0.329 0.000 2.117 216 D HA -0.189 4.451 4.640 -0.000 0.000 0.198 216 D C 1.833 178.173 176.300 0.066 0.000 0.982 216 D CA 1.023 54.940 54.000 -0.140 0.000 0.828 216 D CB -0.188 40.605 40.800 -0.012 0.000 0.967 216 D HN 0.225 nan 8.370 nan 0.000 0.464 217 R N -0.209 120.381 120.500 0.150 0.000 2.073 217 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 217 R C 2.228 178.731 176.300 0.339 0.000 1.134 217 R CA 1.011 57.270 56.100 0.266 0.000 0.952 217 R CB -0.336 30.075 30.300 0.184 0.000 0.850 217 R HN 0.015 nan 8.270 nan 0.000 0.433 218 F N 1.166 121.155 119.950 0.066 0.000 2.091 218 F HA -0.220 4.307 4.527 -0.000 0.000 0.299 218 F C 2.262 178.075 175.800 0.023 0.000 1.103 218 F CA 1.119 59.173 58.000 0.091 0.000 1.228 218 F CB -0.799 38.307 39.000 0.177 0.000 0.984 218 F HN 0.066 nan 8.300 nan 0.000 0.477 219 L N -1.805 119.492 121.223 0.123 0.000 2.027 219 L HA -0.242 4.098 4.340 -0.000 0.000 0.206 219 L C 2.500 179.335 176.870 -0.058 0.000 1.074 219 L CA 1.273 56.084 54.840 -0.049 0.000 0.745 219 L CB -0.556 41.355 42.059 -0.247 0.000 0.898 219 L HN 0.037 nan 8.230 nan 0.000 0.433 220 F N -0.924 119.060 119.950 0.056 0.000 2.186 220 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 220 F C 2.385 178.195 175.800 0.016 0.000 1.090 220 F CA 0.947 58.971 58.000 0.040 0.000 1.307 220 F CB -0.945 38.087 39.000 0.052 0.000 1.019 220 F HN -0.199 nan 8.300 nan 0.000 0.489 221 V N -0.210 119.806 119.914 0.171 0.000 2.343 221 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 221 V C 2.569 178.632 176.094 -0.050 0.000 1.051 221 V CA 1.666 63.959 62.300 -0.012 0.000 1.036 221 V CB -1.269 30.442 31.823 -0.186 0.000 0.654 221 V HN 0.344 nan 8.190 nan 0.000 0.451 222 A N -0.615 122.188 122.820 -0.028 0.000 1.877 222 A HA -0.286 4.034 4.320 -0.000 0.000 0.216 222 A C 2.280 179.833 177.584 -0.052 0.000 1.186 222 A CA 2.038 54.009 52.037 -0.110 0.000 0.620 222 A CB -0.564 18.463 19.000 0.046 0.000 0.822 222 A HN 0.595 nan 8.150 nan 0.000 0.443 223 E N -0.220 120.036 120.200 0.093 0.000 2.070 223 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 223 E C 2.227 178.874 176.600 0.078 0.000 1.004 223 E CA 1.230 57.710 56.400 0.133 0.000 0.805 223 E CB -0.262 29.519 29.700 0.136 0.000 0.744 223 E HN 0.550 nan 8.360 nan 0.000 0.451 224 A N 1.083 123.940 122.820 0.062 0.000 1.883 224 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 224 A C 2.186 179.820 177.584 0.083 0.000 1.186 224 A CA 1.501 53.591 52.037 0.088 0.000 0.624 224 A CB -0.708 18.360 19.000 0.114 0.000 0.822 224 A HN 0.323 nan 8.150 nan 0.000 0.444 225 I N -1.809 118.731 120.570 -0.049 0.000 2.163 225 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 225 I C 2.373 178.448 176.117 -0.070 0.000 1.085 225 I CA 1.585 62.809 61.300 -0.126 0.000 1.347 225 I CB -0.414 37.385 38.000 -0.334 0.000 1.044 225 I HN 0.400 nan 8.210 nan 0.000 0.408 226 Y N 0.558 120.900 120.300 0.069 0.000 2.314 226 Y HA -0.144 4.406 4.550 -0.000 0.000 0.293 226 Y C 2.507 178.435 175.900 0.047 0.000 1.129 226 Y CA 0.862 58.992 58.100 0.050 0.000 1.201 226 Y CB -0.668 37.813 38.460 0.034 0.000 0.999 226 Y HN 0.082 nan 8.280 nan 0.000 0.541 227 K N 0.299 120.801 120.400 0.171 0.000 2.026 227 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 227 K C 2.275 178.996 176.600 0.202 0.000 1.048 227 K CA 1.272 57.614 56.287 0.092 0.000 0.929 227 K CB -0.252 32.164 32.500 -0.139 0.000 0.713 227 K HN 0.219 nan 8.250 nan 0.000 0.439 228 A N 0.865 123.851 122.820 0.277 0.000 1.969 228 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 228 A C 2.057 179.720 177.584 0.133 0.000 1.169 228 A CA 1.472 53.657 52.037 0.246 0.000 0.635 228 A CB -0.494 18.616 19.000 0.183 0.000 0.810 228 A HN 0.543 nan 8.150 nan 0.000 0.445 229 Q N -0.537 119.338 119.800 0.125 0.000 2.046 229 Q HA -0.078 4.262 4.340 -0.000 0.000 0.200 229 Q C 2.212 178.269 176.000 0.095 0.000 0.975 229 Q CA 1.440 57.303 55.803 0.101 0.000 0.836 229 Q CB -0.329 28.491 28.738 0.138 0.000 0.896 229 Q HN 0.586 nan 8.270 nan 0.000 0.428 230 A N 0.789 123.675 122.820 0.111 0.000 1.933 230 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 230 A C 1.882 179.510 177.584 0.073 0.000 1.175 230 A CA 1.716 53.802 52.037 0.082 0.000 0.628 230 A CB -0.663 18.383 19.000 0.076 0.000 0.814 230 A HN 0.625 nan 8.150 nan 0.000 0.444 231 E N -0.489 119.769 120.200 0.096 0.000 2.072 231 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 231 E C 2.033 178.670 176.600 0.061 0.000 0.985 231 E CA 1.821 58.276 56.400 0.092 0.000 0.801 231 E CB -0.087 29.703 29.700 0.150 0.000 0.750 231 E HN 0.727 nan 8.360 nan 0.000 0.452 232 T N -3.906 110.680 114.554 0.053 0.000 3.051 232 T HA 0.235 4.585 4.350 -0.000 0.000 0.255 232 T C 1.563 176.276 174.700 0.021 0.000 1.085 232 T CA 0.721 62.838 62.100 0.027 0.000 1.109 232 T CB 0.474 69.348 68.868 0.011 0.000 0.921 232 T HN 0.349 nan 8.240 nan 0.000 0.488 233 G N 1.131 109.948 108.800 0.029 0.000 2.179 233 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.260 233 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.260 233 G C -0.229 174.680 174.900 0.014 0.000 0.977 233 G CA 0.260 45.374 45.100 0.023 0.000 0.641 233 G HN 0.677 nan 8.290 nan 0.000 0.533 234 E N -0.379 119.824 120.200 0.005 0.000 2.195 234 E HA 0.535 4.885 4.350 -0.000 0.000 0.271 234 E C 0.154 176.743 176.600 -0.019 0.000 0.923 234 E CA -1.052 55.338 56.400 -0.017 0.000 0.790 234 E CB 2.571 32.246 29.700 -0.040 0.000 1.155 234 E HN 0.063 nan 8.360 nan 0.000 0.402 235 V N 3.789 123.683 119.914 -0.034 0.000 2.599 235 V HA -0.005 4.115 4.120 -0.000 0.000 0.300 235 V C 0.228 176.277 176.094 -0.075 0.000 1.034 235 V CA 0.446 62.730 62.300 -0.026 0.000 1.115 235 V CB 0.060 31.867 31.823 -0.026 0.000 0.934 235 V HN 0.506 nan 8.190 nan 0.000 0.485 236 K N 3.166 123.547 120.400 -0.033 0.000 2.328 236 K HA 0.833 5.153 4.320 -0.000 0.000 0.246 236 K C 0.034 176.648 176.600 0.024 0.000 0.955 236 K CA -0.406 55.850 56.287 -0.052 0.000 0.817 236 K CB 2.353 34.844 32.500 -0.016 0.000 1.208 236 K HN 0.848 nan 8.250 nan 0.000 0.432 237 G N 0.262 109.129 108.800 0.113 0.000 2.692 237 G HA2 0.390 4.350 3.960 -0.000 0.000 0.291 237 G HA3 0.390 4.350 3.960 -0.000 0.000 0.291 237 G C -1.929 173.160 174.900 0.315 0.000 1.423 237 G CA -0.292 44.975 45.100 0.278 0.000 0.843 237 G HN 0.558 nan 8.290 nan 0.000 0.486 238 H N 0.413 119.544 119.070 0.101 0.000 2.934 238 H HA 0.324 4.880 4.556 -0.000 0.000 0.340 238 H C -1.144 174.197 175.328 0.020 0.000 1.008 238 H CA -0.610 55.428 56.048 -0.016 0.000 1.317 238 H CB 1.337 31.085 29.762 -0.022 0.000 1.670 238 H HN 0.369 nan 8.280 nan 0.000 0.516 239 Y N 5.600 125.646 120.300 -0.422 0.000 2.730 239 Y HA 0.096 4.646 4.550 -0.000 0.000 0.357 239 Y C 0.679 176.454 175.900 -0.209 0.000 1.167 239 Y CA -0.479 57.437 58.100 -0.307 0.000 1.579 239 Y CB -0.687 37.557 38.460 -0.358 0.000 1.262 239 Y HN 0.333 nan 8.280 nan 0.000 0.510 240 L N 3.664 124.901 121.223 0.024 0.000 2.319 240 L HA 0.175 4.515 4.340 -0.000 0.000 0.280 240 L C 0.682 177.553 176.870 0.002 0.000 1.099 240 L CA -0.005 54.755 54.840 -0.134 0.000 0.828 240 L CB 0.455 42.029 42.059 -0.808 0.000 1.150 240 L HN 0.607 nan 8.230 nan 0.000 0.442 241 N N 1.738 120.528 118.700 0.151 0.000 2.420 241 N HA 0.212 4.952 4.740 -0.000 0.000 0.262 241 N C 0.533 176.182 175.510 0.231 0.000 1.144 241 N CA -0.095 53.066 53.050 0.184 0.000 0.952 241 N CB 1.126 39.706 38.487 0.155 0.000 1.081 241 N HN 0.778 nan 8.380 nan 0.000 0.480 242 A N 2.637 125.549 122.820 0.152 0.000 2.238 242 A HA 0.073 4.393 4.320 -0.000 0.000 0.210 242 A C 0.674 178.279 177.584 0.036 0.000 1.179 242 A CA 0.013 52.082 52.037 0.054 0.000 0.827 242 A CB 0.016 19.019 19.000 0.006 0.000 0.856 242 A HN 0.603 nan 8.150 nan 0.000 0.488 243 T N 1.816 116.448 114.554 0.129 0.000 2.905 243 T HA 0.418 4.768 4.350 -0.000 0.000 0.299 243 T C 0.187 174.879 174.700 -0.013 0.000 1.024 243 T CA 0.953 63.116 62.100 0.106 0.000 1.151 243 T CB 0.507 69.374 68.868 -0.001 0.000 0.987 243 T HN 0.777 nan 8.240 nan 0.000 0.535 244 A N 2.401 125.210 122.820 -0.019 0.000 2.588 244 A HA 0.794 5.114 4.320 -0.000 0.000 0.290 244 A C 1.250 178.804 177.584 -0.051 0.000 1.136 244 A CA -0.320 51.670 52.037 -0.078 0.000 0.681 244 A CB 0.691 19.599 19.000 -0.153 0.000 1.282 244 A HN 0.761 nan 8.150 nan 0.000 0.421 245 G N -0.647 108.118 108.800 -0.059 0.000 2.448 245 G HA2 0.336 4.296 3.960 -0.000 0.000 0.218 245 G HA3 0.336 4.296 3.960 -0.000 0.000 0.218 245 G C 0.687 175.564 174.900 -0.039 0.000 1.135 245 G CA 1.788 46.862 45.100 -0.042 0.000 0.784 245 G HN 1.618 nan 8.290 nan 0.000 0.543 246 T N -4.206 110.316 114.554 -0.052 0.000 2.906 246 T HA 0.300 4.650 4.350 -0.000 0.000 0.295 246 T C 0.927 175.587 174.700 -0.066 0.000 1.075 246 T CA -0.271 61.799 62.100 -0.049 0.000 1.005 246 T CB 1.404 70.244 68.868 -0.048 0.000 1.136 246 T HN -0.069 nan 8.240 nan 0.000 0.498 247 C N 0.738 120.002 119.300 -0.059 0.000 2.411 247 C HA -0.027 4.433 4.460 -0.000 0.000 0.279 247 C C 2.585 177.510 174.990 -0.108 0.000 1.288 247 C CA 0.885 59.855 59.018 -0.081 0.000 1.764 247 C CB -1.373 26.330 27.740 -0.061 0.000 1.974 247 C HN 1.004 nan 8.230 nan 0.000 0.498 248 E N 0.855 121.001 120.200 -0.090 0.000 2.072 248 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 248 E C 2.261 178.783 176.600 -0.129 0.000 0.985 248 E CA 0.896 57.239 56.400 -0.094 0.000 0.801 248 E CB -0.278 29.385 29.700 -0.061 0.000 0.750 248 E HN 0.525 nan 8.360 nan 0.000 0.452 249 E N 0.320 120.437 120.200 -0.139 0.000 2.051 249 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 249 E C 2.055 178.466 176.600 -0.315 0.000 0.991 249 E CA 0.863 57.136 56.400 -0.210 0.000 0.799 249 E CB -0.342 29.250 29.700 -0.181 0.000 0.748 249 E HN 0.313 nan 8.360 nan 0.000 0.449 250 M N -0.090 119.363 119.600 -0.244 0.000 2.073 250 M HA -0.231 4.249 4.480 -0.000 0.000 0.258 250 M C 1.990 178.110 176.300 -0.300 0.000 1.070 250 M CA 1.566 56.715 55.300 -0.251 0.000 1.103 250 M CB -0.038 32.451 32.600 -0.186 0.000 1.321 250 M HN 0.039 nan 8.290 nan 0.000 0.405 251 M N 0.109 119.539 119.600 -0.283 0.000 2.159 251 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 251 M C 1.958 178.063 176.300 -0.326 0.000 1.063 251 M CA 1.740 56.830 55.300 -0.350 0.000 1.110 251 M CB -1.233 31.195 32.600 -0.286 0.000 1.374 251 M HN 0.279 nan 8.290 nan 0.000 0.411 252 K N -0.257 119.986 120.400 -0.262 0.000 2.063 252 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 252 K C 2.139 178.571 176.600 -0.279 0.000 1.048 252 K CA 1.316 57.489 56.287 -0.189 0.000 0.928 252 K CB -0.028 32.398 32.500 -0.123 0.000 0.713 252 K HN 0.291 nan 8.250 nan 0.000 0.442 253 R N -0.081 120.050 120.500 -0.615 0.000 2.075 253 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 253 R C 2.339 178.624 176.300 -0.025 0.000 1.126 253 R CA 1.256 56.934 56.100 -0.705 0.000 0.963 253 R CB -0.299 29.468 30.300 -0.889 0.000 0.858 253 R HN 0.165 nan 8.270 nan 0.000 0.435 254 A N 1.079 123.829 122.820 -0.117 0.000 1.930 254 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 254 A C 1.370 178.989 177.584 0.058 0.000 1.175 254 A CA 0.759 52.770 52.037 -0.042 0.000 0.627 254 A CB -0.361 18.460 19.000 -0.298 0.000 0.815 254 A HN 0.048 nan 8.150 nan 0.000 0.443 258 K N 0.721 121.259 120.400 0.231 0.000 2.059 258 K HA -0.229 4.090 4.320 -0.000 0.000 0.212 258 K C 1.449 178.147 176.600 0.164 0.000 1.050 258 K CA 2.166 58.572 56.287 0.198 0.000 0.927 258 K CB -0.188 32.459 32.500 0.245 0.000 0.714 258 K HN 0.655 nan 8.250 nan 0.000 0.447 259 E N 0.132 120.435 120.200 0.172 0.000 2.358 259 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 259 E C 1.871 178.554 176.600 0.139 0.000 1.010 259 E CA 0.419 56.903 56.400 0.139 0.000 0.856 259 E CB 0.120 29.898 29.700 0.130 0.000 0.795 259 E HN 0.348 nan 8.360 nan 0.000 0.504 260 L N -0.486 120.841 121.223 0.174 0.000 2.509 260 L HA 0.115 4.455 4.340 -0.000 0.000 0.222 260 L C 1.473 178.487 176.870 0.240 0.000 1.123 260 L CA 0.451 55.410 54.840 0.198 0.000 0.856 260 L CB 0.065 42.249 42.059 0.208 0.000 0.985 260 L HN 0.274 nan 8.230 nan 0.000 0.456 261 G N 0.621 109.538 108.800 0.195 0.000 2.148 261 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.254 261 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.254 261 G C 0.411 175.449 174.900 0.230 0.000 0.981 261 G CA 0.292 45.510 45.100 0.197 0.000 0.670 261 G HN 0.260 nan 8.290 nan 0.000 0.528 262 V N -2.059 117.963 119.914 0.180 0.000 3.003 262 V HA 0.691 4.811 4.120 -0.000 0.000 0.305 262 V C 0.106 176.254 176.094 0.088 0.000 1.078 262 V CA -0.742 61.614 62.300 0.094 0.000 1.083 262 V CB 1.096 32.920 31.823 0.002 0.000 1.039 262 V HN 0.049 nan 8.190 nan 0.000 0.481 263 P HA 0.215 nan 4.420 nan 0.000 0.222 263 P C 0.169 177.501 177.300 0.052 0.000 1.153 263 P CA 0.925 64.072 63.100 0.078 0.000 0.798 263 P CB 0.480 32.254 31.700 0.124 0.000 0.796 264 I N -0.353 120.252 120.570 0.057 0.000 2.722 264 I HA 0.346 4.516 4.170 -0.000 0.000 0.292 264 I C -1.170 174.955 176.117 0.013 0.000 1.267 264 I CA -1.507 59.799 61.300 0.011 0.000 1.036 264 I CB 2.229 40.219 38.000 -0.016 0.000 1.281 264 I HN -0.246 nan 8.210 nan 0.000 0.423 265 I N 4.606 125.165 120.570 -0.017 0.000 3.067 265 I HA 0.688 4.858 4.170 -0.000 0.000 0.312 265 I C -0.882 175.230 176.117 -0.009 0.000 1.073 265 I CA -0.957 60.345 61.300 0.003 0.000 1.016 265 I CB 2.190 40.213 38.000 0.037 0.000 1.227 265 I HN 0.688 nan 8.210 nan 0.000 0.456 266 M N 1.711 121.348 119.600 0.062 0.000 2.690 266 M HA 0.646 5.126 4.480 -0.000 0.000 0.302 266 M C -1.513 174.888 176.300 0.168 0.000 1.234 266 M CA -0.537 54.830 55.300 0.112 0.000 0.853 266 M CB 2.219 34.952 32.600 0.221 0.000 1.748 266 M HN 0.794 nan 8.290 nan 0.000 0.469 267 H N -0.301 118.788 119.070 0.031 0.000 2.974 267 H HA 0.442 4.997 4.556 -0.000 0.000 0.366 267 H C -1.958 173.402 175.328 0.055 0.000 1.155 267 H CA -0.534 55.527 56.048 0.021 0.000 1.186 267 H CB 1.775 31.533 29.762 -0.006 0.000 1.799 267 H HN 0.763 nan 8.280 nan 0.000 0.541 268 D N 4.968 125.105 120.400 -0.438 0.000 2.453 268 D HA 0.003 4.643 4.640 -0.000 0.000 0.223 268 D C 0.828 176.796 176.300 -0.553 0.000 1.183 268 D CA -0.160 53.648 54.000 -0.320 0.000 0.933 268 D CB -0.173 40.488 40.800 -0.232 0.000 1.038 268 D HN 0.618 nan 8.370 nan 0.000 0.513 269 Y N 1.188 121.209 120.300 -0.465 0.000 2.274 269 Y HA -0.121 4.429 4.550 -0.000 0.000 0.290 269 Y C 1.310 176.917 175.900 -0.489 0.000 1.145 269 Y CA 1.053 58.909 58.100 -0.407 0.000 1.203 269 Y CB -0.477 37.829 38.460 -0.256 0.000 0.984 269 Y HN 0.241 nan 8.280 nan 0.000 0.533 270 L N 0.344 121.040 121.223 -0.878 0.000 2.202 270 L HA -0.043 4.297 4.340 -0.000 0.000 0.205 270 L C 2.666 179.273 176.870 -0.438 0.000 1.083 270 L CA 1.417 55.768 54.840 -0.816 0.000 0.790 270 L CB -0.707 40.892 42.059 -0.766 0.000 0.942 270 L HN 0.442 nan 8.230 nan 0.000 0.452 271 T N -3.551 110.804 114.554 -0.331 0.000 2.942 271 T HA -0.013 4.337 4.350 -0.000 0.000 0.265 271 T C 1.880 176.465 174.700 -0.192 0.000 1.062 271 T CA 0.848 62.817 62.100 -0.218 0.000 1.139 271 T CB -0.488 68.283 68.868 -0.162 0.000 0.883 271 T HN 0.310 nan 8.240 nan 0.000 0.468 272 G N 1.325 109.974 108.800 -0.252 0.000 2.396 272 G HA2 0.435 4.395 3.960 -0.000 0.000 0.214 272 G HA3 0.435 4.395 3.960 -0.000 0.000 0.214 272 G C 0.872 175.742 174.900 -0.050 0.000 1.166 272 G CA 0.226 45.254 45.100 -0.119 0.000 0.793 272 G HN 1.251 nan 8.290 nan 0.000 0.533 273 G N -1.946 106.765 108.800 -0.148 0.000 2.587 273 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.686 273 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.686 273 G C 0.109 174.959 174.900 -0.084 0.000 1.236 273 G CA -0.182 44.818 45.100 -0.168 0.000 0.820 273 G HN 0.077 nan 8.290 nan 0.000 0.645 274 F N 0.642 120.589 119.950 -0.006 0.000 2.186 274 F HA 0.006 4.533 4.527 -0.000 0.000 0.299 274 F C 3.109 178.928 175.800 0.031 0.000 1.090 274 F CA 2.278 60.286 58.000 0.013 0.000 1.307 274 F CB -0.587 38.367 39.000 -0.078 0.000 1.019 274 F HN 0.561 nan 8.300 nan 0.000 0.489 275 T N -0.103 114.571 114.554 0.200 0.000 2.674 275 T HA -0.216 4.134 4.350 -0.000 0.000 0.265 275 T C 2.329 177.073 174.700 0.072 0.000 1.039 275 T CA 1.542 63.712 62.100 0.117 0.000 1.150 275 T CB -0.774 68.142 68.868 0.081 0.000 0.864 275 T HN 0.277 nan 8.240 nan 0.000 0.427 276 A N 1.881 124.736 122.820 0.058 0.000 1.933 276 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 276 A C 2.267 179.805 177.584 -0.076 0.000 1.175 276 A CA 1.580 53.612 52.037 -0.008 0.000 0.628 276 A CB -0.801 18.209 19.000 0.017 0.000 0.814 276 A HN 0.546 nan 8.150 nan 0.000 0.444 277 N N -0.497 118.238 118.700 0.059 0.000 2.120 277 N HA -0.142 4.597 4.740 -0.000 0.000 0.188 277 N C 1.604 177.129 175.510 0.026 0.000 1.024 277 N CA 2.026 55.108 53.050 0.053 0.000 0.852 277 N CB -0.123 38.520 38.487 0.260 0.000 1.003 277 N HN 0.449 nan 8.380 nan 0.000 0.424 278 T N -0.006 114.598 114.554 0.083 0.000 2.777 278 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 278 T C 2.134 176.849 174.700 0.025 0.000 1.040 278 T CA 1.131 63.274 62.100 0.073 0.000 1.141 278 T CB -0.304 68.629 68.868 0.108 0.000 0.868 278 T HN 0.184 nan 8.240 nan 0.000 0.444 279 S N 1.302 117.006 115.700 0.005 0.000 2.359 279 S HA -0.064 4.406 4.470 -0.000 0.000 0.224 279 S C 1.937 176.531 174.600 -0.011 0.000 1.035 279 S CA 0.846 59.042 58.200 -0.007 0.000 1.018 279 S CB -0.502 62.681 63.200 -0.029 0.000 0.876 279 S HN 0.244 nan 8.310 nan 0.000 0.448 280 L N 1.649 122.824 121.223 -0.079 0.000 2.056 280 L HA 0.043 4.383 4.340 -0.000 0.000 0.207 280 L C 2.350 179.222 176.870 0.003 0.000 1.078 280 L CA 1.774 56.563 54.840 -0.085 0.000 0.749 280 L CB -1.010 40.889 42.059 -0.267 0.000 0.901 280 L HN 0.250 nan 8.230 nan 0.000 0.433 281 A N -0.356 122.451 122.820 -0.021 0.000 1.902 281 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 281 A C 2.259 179.829 177.584 -0.023 0.000 1.181 281 A CA 2.060 54.082 52.037 -0.024 0.000 0.623 281 A CB -0.862 18.119 19.000 -0.032 0.000 0.818 281 A HN 0.495 nan 8.150 nan 0.000 0.443 282 I N -2.103 118.467 120.570 0.000 0.000 2.226 282 I HA -0.268 3.901 4.170 -0.000 0.000 0.245 282 I C 2.445 178.569 176.117 0.012 0.000 1.100 282 I CA 1.725 63.023 61.300 -0.004 0.000 1.374 282 I CB -0.394 37.612 38.000 0.009 0.000 1.057 282 I HN 0.542 nan 8.210 nan 0.000 0.413 283 Y N 0.959 121.230 120.300 -0.049 0.000 2.181 283 Y HA -0.318 4.232 4.550 -0.000 0.000 0.288 283 Y C 2.720 178.606 175.900 -0.023 0.000 1.146 283 Y CA 1.653 59.733 58.100 -0.034 0.000 1.164 283 Y CB -0.377 38.060 38.460 -0.038 0.000 0.982 283 Y HN 0.187 nan 8.280 nan 0.000 0.515 284 C N 0.206 119.541 119.300 0.059 0.000 2.429 284 C HA -0.145 4.315 4.460 -0.000 0.000 0.277 284 C C 2.724 177.664 174.990 -0.084 0.000 1.262 284 C CA 1.368 60.395 59.018 0.015 0.000 1.733 284 C CB -1.250 26.524 27.740 0.057 0.000 2.010 284 C HN 0.578 nan 8.230 nan 0.000 0.483 285 R N 1.935 122.336 120.500 -0.164 0.000 2.083 285 R HA -0.126 4.214 4.340 -0.000 0.000 0.237 285 R C 1.462 177.674 176.300 -0.147 0.000 1.137 285 R CA 2.122 58.083 56.100 -0.232 0.000 0.951 285 R CB -0.917 29.273 30.300 -0.184 0.000 0.851 285 R HN 0.451 nan 8.270 nan 0.000 0.434 286 D N -0.495 119.804 120.400 -0.168 0.000 2.347 286 D HA -0.022 4.618 4.640 -0.000 0.000 0.215 286 D C 0.354 176.529 176.300 -0.208 0.000 0.976 286 D CA 0.743 54.640 54.000 -0.172 0.000 0.884 286 D CB 0.053 40.746 40.800 -0.178 0.000 0.915 286 D HN 0.369 nan 8.370 nan 0.000 0.526 287 N N -0.695 117.850 118.700 -0.258 0.000 2.160 287 N HA 0.106 4.846 4.740 -0.000 0.000 0.226 287 N C 0.867 176.344 175.510 -0.055 0.000 1.256 287 N CA 0.304 53.221 53.050 -0.222 0.000 0.890 287 N CB 1.907 40.113 38.487 -0.469 0.000 1.116 287 N HN 0.045 nan 8.380 nan 0.000 0.517 288 G N 1.766 110.590 108.800 0.041 0.000 2.221 288 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.265 288 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.265 288 G C -0.136 174.828 174.900 0.106 0.000 1.041 288 G CA 0.136 45.327 45.100 0.151 0.000 0.807 288 G HN 0.251 nan 8.290 nan 0.000 0.502 289 L N -0.079 121.243 121.223 0.166 0.000 2.312 289 L HA 0.504 4.844 4.340 -0.000 0.000 0.281 289 L C 1.240 178.204 176.870 0.157 0.000 1.070 289 L CA -0.986 53.924 54.840 0.117 0.000 0.805 289 L CB 1.128 43.262 42.059 0.125 0.000 1.174 289 L HN 0.083 nan 8.230 nan 0.000 0.434 290 L N 3.879 125.101 121.223 -0.003 0.000 2.456 290 L HA 0.141 4.481 4.340 -0.000 0.000 0.272 290 L C -0.350 176.468 176.870 -0.087 0.000 1.189 290 L CA -0.143 54.672 54.840 -0.042 0.000 0.846 290 L CB 0.796 42.756 42.059 -0.165 0.000 1.111 290 L HN 0.387 nan 8.230 nan 0.000 0.475 291 L N 3.495 124.639 121.223 -0.132 0.000 2.345 291 L HA 0.333 4.673 4.340 -0.000 0.000 0.274 291 L C -0.521 176.168 176.870 -0.301 0.000 0.999 291 L CA -0.265 54.480 54.840 -0.158 0.000 0.849 291 L CB 0.995 43.007 42.059 -0.078 0.000 1.220 291 L HN 0.447 nan 8.230 nan 0.000 0.422 292 H N 5.407 124.191 119.070 -0.476 0.000 2.620 292 H HA 0.543 5.099 4.556 -0.000 0.000 0.313 292 H C -0.828 174.376 175.328 -0.207 0.000 1.075 292 H CA -0.448 55.277 56.048 -0.538 0.000 1.397 292 H CB 0.731 29.872 29.762 -1.035 0.000 1.446 292 H HN 0.493 nan 8.280 nan 0.000 0.493 293 I N 5.900 126.066 120.570 -0.674 0.000 2.339 293 I HA 0.107 4.277 4.170 -0.000 0.000 0.290 293 I C 0.212 176.126 176.117 -0.338 0.000 0.994 293 I CA -0.398 60.683 61.300 -0.365 0.000 1.191 293 I CB 0.732 38.515 38.000 -0.362 0.000 1.343 293 I HN 0.718 nan 8.210 nan 0.000 0.458 294 H N 7.415 126.382 119.070 -0.171 0.000 2.502 294 H HA 0.284 4.840 4.556 -0.000 0.000 0.327 294 H C 0.513 175.797 175.328 -0.074 0.000 1.099 294 H CA -0.306 55.619 56.048 -0.205 0.000 1.323 294 H CB 1.415 31.096 29.762 -0.136 0.000 1.450 294 H HN 0.577 nan 8.280 nan 0.000 0.502 295 R N 3.052 123.305 120.500 -0.411 0.000 2.480 295 R HA 0.372 4.711 4.340 -0.000 0.000 0.277 295 R C 0.299 176.591 176.300 -0.013 0.000 1.008 295 R CA -0.289 55.768 56.100 -0.072 0.000 1.090 295 R CB 0.037 30.262 30.300 -0.126 0.000 1.234 295 R HN 0.402 nan 8.270 nan 0.000 0.549 296 A N 1.736 124.646 122.820 0.149 0.000 2.608 296 A HA -0.070 4.250 4.320 -0.000 0.000 0.246 296 A C 0.988 178.571 177.584 -0.001 0.000 0.998 296 A CA 1.290 53.421 52.037 0.156 0.000 0.796 296 A CB -0.333 18.745 19.000 0.131 0.000 0.895 296 A HN 0.861 nan 8.150 nan 0.000 0.508 297 M N 0.207 119.794 119.600 -0.021 0.000 2.983 297 M HA -0.329 4.151 4.480 -0.000 0.000 0.203 297 M C 1.156 177.399 176.300 -0.096 0.000 0.601 297 M CA 2.020 57.269 55.300 -0.085 0.000 0.778 297 M CB -2.010 30.523 32.600 -0.111 0.000 2.782 297 M HN 1.311 nan 8.290 nan 0.000 0.290 298 H N -0.655 118.347 119.070 -0.114 0.000 2.357 298 H HA 0.054 4.610 4.556 -0.000 0.000 0.296 298 H C 1.684 176.982 175.328 -0.051 0.000 1.108 298 H CA 2.276 58.288 56.048 -0.060 0.000 1.273 298 H CB -0.622 29.141 29.762 0.003 0.000 1.367 298 H HN 0.520 nan 8.280 nan 0.000 0.498 299 A N 1.053 123.347 122.820 -0.876 0.000 2.119 299 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 299 A C 2.512 179.943 177.584 -0.255 0.000 1.153 299 A CA 0.924 52.600 52.037 -0.601 0.000 0.692 299 A CB -0.617 18.000 19.000 -0.639 0.000 0.799 299 A HN 0.363 nan 8.150 nan 0.000 0.458 300 V N -0.095 119.704 119.914 -0.191 0.000 2.392 300 V HA -0.267 3.853 4.120 -0.000 0.000 0.249 300 V C 2.261 178.321 176.094 -0.055 0.000 1.059 300 V CA 2.231 64.471 62.300 -0.100 0.000 1.051 300 V CB -0.545 31.228 31.823 -0.083 0.000 0.658 300 V HN 0.622 nan 8.190 nan 0.000 0.455 301 I N 0.674 121.212 120.570 -0.054 0.000 2.628 301 I HA -0.045 4.125 4.170 -0.000 0.000 0.255 301 I C 1.777 177.898 176.117 0.006 0.000 1.119 301 I CA 1.264 62.556 61.300 -0.013 0.000 1.448 301 I CB -0.170 37.832 38.000 0.004 0.000 1.133 301 I HN 0.468 nan 8.210 nan 0.000 0.438 302 D N -0.438 119.958 120.400 -0.007 0.000 2.398 302 D HA -0.036 4.604 4.640 -0.000 0.000 0.210 302 D C 1.854 178.141 176.300 -0.021 0.000 1.094 302 D CA -0.031 53.974 54.000 0.008 0.000 0.839 302 D CB 0.001 40.844 40.800 0.072 0.000 0.963 302 D HN -0.046 nan 8.370 nan 0.000 0.506 303 R N 0.281 120.760 120.500 -0.035 0.000 2.062 303 R HA 0.041 4.381 4.340 -0.000 0.000 0.229 303 R C 0.467 176.785 176.300 0.030 0.000 1.128 303 R CA 1.092 57.177 56.100 -0.025 0.000 0.960 303 R CB -0.138 30.126 30.300 -0.060 0.000 0.855 303 R HN 0.055 nan 8.270 nan 0.000 0.432 304 Q N 0.517 120.349 119.800 0.053 0.000 2.293 304 Q HA 0.066 4.406 4.340 -0.000 0.000 0.251 304 Q C 0.335 176.405 176.000 0.116 0.000 0.930 304 Q CA 0.045 55.898 55.803 0.082 0.000 0.893 304 Q CB 1.314 30.106 28.738 0.090 0.000 1.215 304 Q HN 0.249 nan 8.270 nan 0.000 0.425 305 R N 2.323 122.891 120.500 0.114 0.000 2.115 305 R HA -0.134 4.206 4.340 -0.000 0.000 0.230 305 R C 1.267 177.643 176.300 0.127 0.000 1.111 305 R CA 1.628 57.805 56.100 0.128 0.000 0.976 305 R CB 0.283 30.646 30.300 0.106 0.000 0.870 305 R HN 0.657 nan 8.270 nan 0.000 0.445 306 N N -1.152 117.627 118.700 0.131 0.000 2.405 306 N HA -0.103 4.637 4.740 -0.000 0.000 0.175 306 N C -0.353 175.285 175.510 0.214 0.000 1.051 306 N CA 0.636 53.771 53.050 0.142 0.000 0.899 306 N CB 0.115 38.674 38.487 0.120 0.000 1.000 306 N HN 0.274 nan 8.380 nan 0.000 0.451 307 H N -1.434 117.709 119.070 0.121 0.000 3.026 307 H HA 0.559 5.115 4.556 -0.000 0.000 0.352 307 H C 0.082 175.510 175.328 0.166 0.000 1.090 307 H CA 0.358 56.509 56.048 0.171 0.000 1.268 307 H CB 1.428 31.276 29.762 0.144 0.000 1.816 307 H HN 0.320 nan 8.280 nan 0.000 0.518 308 G N 2.612 111.360 108.800 -0.088 0.000 2.250 308 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.196 308 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.196 308 G C -1.526 173.359 174.900 -0.024 0.000 1.308 308 G CA -0.282 44.782 45.100 -0.060 0.000 1.207 308 G HN 0.652 nan 8.290 nan 0.000 0.505 309 I N 0.851 121.413 120.570 -0.015 0.000 2.534 309 I HA 0.333 4.502 4.170 -0.000 0.000 0.288 309 I C 0.077 176.241 176.117 0.078 0.000 1.077 309 I CA -0.855 60.452 61.300 0.010 0.000 1.051 309 I CB 2.079 40.046 38.000 -0.055 0.000 1.234 309 I HN 0.672 nan 8.210 nan 0.000 0.425 310 H N 4.767 123.858 119.070 0.035 0.000 2.871 310 H HA -0.005 4.551 4.556 -0.000 0.000 0.355 310 H C 0.498 175.890 175.328 0.107 0.000 1.092 310 H CA 0.750 56.856 56.048 0.097 0.000 1.420 310 H CB 1.030 30.846 29.762 0.090 0.000 1.400 310 H HN 0.659 nan 8.280 nan 0.000 0.604 311 F N 5.306 125.046 119.950 -0.350 0.000 2.202 311 F HA -0.229 4.298 4.527 -0.000 0.000 0.301 311 F C 2.611 178.336 175.800 -0.125 0.000 1.082 311 F CA 1.755 59.616 58.000 -0.230 0.000 1.313 311 F CB -0.104 38.640 39.000 -0.426 0.000 1.024 311 F HN 0.675 nan 8.300 nan 0.000 0.495 312 R N -0.264 120.296 120.500 0.100 0.000 2.127 312 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 312 R C 1.773 178.046 176.300 -0.044 0.000 1.134 312 R CA 1.969 58.106 56.100 0.061 0.000 0.975 312 R CB -1.434 29.115 30.300 0.415 0.000 0.865 312 R HN 0.298 nan 8.270 nan 0.000 0.447 313 V N 1.890 121.808 119.914 0.005 0.000 2.379 313 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 313 V C 2.446 178.566 176.094 0.043 0.000 1.044 313 V CA 1.525 63.832 62.300 0.013 0.000 1.036 313 V CB -0.396 31.419 31.823 -0.014 0.000 0.664 313 V HN 0.278 nan 8.190 nan 0.000 0.453 314 L N 0.187 121.388 121.223 -0.037 0.000 2.201 314 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 314 L C 2.639 179.415 176.870 -0.155 0.000 1.105 314 L CA 1.276 56.157 54.840 0.068 0.000 0.775 314 L CB -0.773 41.326 42.059 0.067 0.000 0.913 314 L HN 0.346 nan 8.230 nan 0.000 0.440 315 A N 0.234 122.676 122.820 -0.629 0.000 1.897 315 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 315 A C 2.351 179.819 177.584 -0.194 0.000 1.181 315 A CA 1.167 52.864 52.037 -0.566 0.000 0.620 315 A CB -0.229 18.297 19.000 -0.790 0.000 0.821 315 A HN 0.251 nan 8.150 nan 0.000 0.443 316 K N -0.150 120.228 120.400 -0.036 0.000 2.103 316 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 316 K C 2.242 178.899 176.600 0.095 0.000 1.048 316 K CA 1.182 57.579 56.287 0.183 0.000 0.930 316 K CB -0.301 32.341 32.500 0.236 0.000 0.716 316 K HN 0.445 nan 8.250 nan 0.000 0.444 317 A N 1.652 124.507 122.820 0.058 0.000 1.930 317 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 317 A C 2.029 179.611 177.584 -0.003 0.000 1.175 317 A CA 0.874 52.898 52.037 -0.023 0.000 0.627 317 A CB -0.463 18.524 19.000 -0.022 0.000 0.815 317 A HN 0.230 nan 8.150 nan 0.000 0.443 318 L N -0.300 120.937 121.223 0.024 0.000 2.056 318 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 318 L C 2.499 179.239 176.870 -0.217 0.000 1.078 318 L CA 2.325 57.053 54.840 -0.187 0.000 0.749 318 L CB -0.815 40.874 42.059 -0.616 0.000 0.901 318 L HN 0.531 nan 8.230 nan 0.000 0.433 319 R N -0.499 119.856 120.500 -0.242 0.000 2.091 319 R HA -0.212 4.128 4.340 -0.000 0.000 0.238 319 R C 2.315 178.462 176.300 -0.254 0.000 1.136 319 R CA 2.033 57.940 56.100 -0.322 0.000 0.959 319 R CB -0.131 29.816 30.300 -0.589 0.000 0.856 319 R HN 0.376 nan 8.270 nan 0.000 0.437 320 M N -1.083 118.377 119.600 -0.234 0.000 2.123 320 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 320 M C 2.504 178.684 176.300 -0.199 0.000 1.069 320 M CA 1.702 56.760 55.300 -0.403 0.000 1.133 320 M CB -0.238 31.824 32.600 -0.896 0.000 1.356 320 M HN 0.124 nan 8.290 nan 0.000 0.415 321 S N -0.317 115.324 115.700 -0.099 0.000 2.382 321 S HA 0.058 4.528 4.470 -0.000 0.000 0.228 321 S C 0.837 175.460 174.600 0.038 0.000 1.027 321 S CA 1.265 59.510 58.200 0.075 0.000 0.991 321 S CB -0.399 62.941 63.200 0.233 0.000 0.823 321 S HN 0.682 nan 8.310 nan 0.000 0.469 322 G N -1.424 107.347 108.800 -0.048 0.000 3.239 322 G HA2 0.408 4.368 3.960 -0.000 0.000 0.666 322 G HA3 0.408 4.368 3.960 -0.000 0.000 0.666 322 G C -0.332 174.497 174.900 -0.118 0.000 1.313 322 G CA -0.476 44.576 45.100 -0.079 0.000 1.001 322 G HN 0.967 nan 8.290 nan 0.000 0.573 323 G N 0.673 109.379 108.800 -0.156 0.000 2.733 323 G HA2 0.603 4.563 3.960 -0.000 0.000 0.297 323 G HA3 0.603 4.563 3.960 -0.000 0.000 0.297 323 G C -0.047 174.762 174.900 -0.151 0.000 1.452 323 G CA 0.110 45.105 45.100 -0.175 0.000 0.940 323 G HN 0.325 nan 8.290 nan 0.000 0.547 324 D N -0.113 120.203 120.400 -0.140 0.000 2.249 324 D HA 0.060 4.700 4.640 -0.000 0.000 0.205 324 D C 0.374 176.702 176.300 0.048 0.000 0.962 324 D CA 1.116 55.070 54.000 -0.077 0.000 0.860 324 D CB 0.325 41.065 40.800 -0.100 0.000 0.955 324 D HN 0.581 nan 8.370 nan 0.000 0.505 325 H N -0.871 118.067 119.070 -0.219 0.000 2.690 325 H HA 0.543 5.099 4.556 -0.000 0.000 0.368 325 H C -1.161 173.961 175.328 -0.343 0.000 1.150 325 H CA -1.068 54.828 56.048 -0.254 0.000 1.174 325 H CB 2.696 32.306 29.762 -0.253 0.000 1.684 325 H HN -0.133 nan 8.280 nan 0.000 0.538 326 L N 1.851 122.992 121.223 -0.136 0.000 2.482 326 L HA 0.231 4.571 4.340 -0.000 0.000 0.263 326 L C -0.807 176.028 176.870 -0.058 0.000 0.957 326 L CA -0.415 54.339 54.840 -0.143 0.000 0.836 326 L CB 1.648 43.626 42.059 -0.134 0.000 1.324 326 L HN 0.713 nan 8.230 nan 0.000 0.406 327 H N 2.666 121.610 119.070 -0.210 0.000 3.034 327 H HA 0.143 4.699 4.556 -0.000 0.000 0.324 327 H C 0.290 175.511 175.328 -0.179 0.000 1.015 327 H CA 0.828 56.751 56.048 -0.209 0.000 1.429 327 H CB 0.910 30.475 29.762 -0.328 0.000 1.429 327 H HN 0.771 nan 8.280 nan 0.000 0.585 328 S N 1.787 117.482 115.700 -0.008 0.000 2.604 328 S HA 0.314 4.783 4.470 -0.000 0.000 0.235 328 S C 0.993 175.712 174.600 0.198 0.000 1.043 328 S CA 0.118 58.440 58.200 0.204 0.000 0.997 328 S CB 1.219 64.681 63.200 0.438 0.000 0.956 328 S HN 1.087 nan 8.310 nan 0.000 0.535 329 G N 1.006 109.828 108.800 0.037 0.000 2.661 329 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.685 329 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.685 329 G C 0.219 175.212 174.900 0.155 0.000 1.298 329 G CA 0.272 45.411 45.100 0.065 0.000 0.855 329 G HN 1.019 nan 8.290 nan 0.000 0.560 330 T N -3.390 111.218 114.554 0.091 0.000 2.966 330 T HA 0.652 5.002 4.350 -0.000 0.000 0.254 330 T C 2.110 176.848 174.700 0.064 0.000 0.961 330 T CA 1.923 64.077 62.100 0.091 0.000 0.915 330 T CB 0.328 69.142 68.868 -0.089 0.000 1.186 330 T HN 2.780 nan 8.240 nan 0.000 0.505 331 A N 1.239 124.075 122.820 0.027 0.000 2.066 331 A HA -0.288 4.032 4.320 -0.000 0.000 0.231 331 A C 1.844 179.419 177.584 -0.014 0.000 0.465 331 A CA 2.669 54.707 52.037 0.002 0.000 1.110 331 A CB -2.354 16.634 19.000 -0.020 0.000 1.434 331 A HN 1.508 nan 8.150 nan 0.000 0.706 332 V N -1.810 118.056 119.914 -0.080 0.000 3.650 332 V HA 0.594 4.714 4.120 -0.000 0.000 0.271 332 V C 1.455 177.419 176.094 -0.216 0.000 1.281 332 V CA 1.065 63.278 62.300 -0.146 0.000 1.120 332 V CB -0.790 30.869 31.823 -0.273 0.000 0.856 332 V HN 1.628 nan 8.190 nan 0.000 0.443 333 G N 1.321 109.978 108.800 -0.238 0.000 2.509 333 G HA2 0.267 4.227 3.960 -0.000 0.000 0.269 333 G HA3 0.267 4.227 3.960 -0.000 0.000 0.269 333 G C 0.739 175.369 174.900 -0.451 0.000 1.416 333 G CA 0.042 44.949 45.100 -0.322 0.000 1.052 333 G HN 0.505 nan 8.290 nan 0.000 0.542 334 K N -1.272 118.631 120.400 -0.827 0.000 2.432 334 K HA 0.147 4.467 4.320 -0.000 0.000 0.196 334 K C 0.132 176.540 176.600 -0.320 0.000 1.038 334 K CA 0.337 56.103 56.287 -0.869 0.000 0.986 334 K CB -0.207 31.742 32.500 -0.918 0.000 0.782 334 K HN 0.179 nan 8.250 nan 0.000 0.485 335 L N 1.780 122.871 121.223 -0.221 0.000 2.334 335 L HA 0.307 4.647 4.340 -0.000 0.000 0.273 335 L C -0.160 176.676 176.870 -0.057 0.000 1.013 335 L CA -0.911 53.857 54.840 -0.119 0.000 0.816 335 L CB 1.881 43.884 42.059 -0.093 0.000 1.278 335 L HN 0.090 nan 8.230 nan 0.000 0.431 336 E N 1.122 121.303 120.200 -0.031 0.000 2.360 336 E HA 0.509 4.859 4.350 -0.000 0.000 0.269 336 E C -0.412 176.214 176.600 0.042 0.000 1.022 336 E CA -0.128 56.282 56.400 0.015 0.000 0.887 336 E CB 0.824 30.533 29.700 0.014 0.000 0.990 336 E HN 0.758 nan 8.360 nan 0.000 0.426 337 G N 4.015 112.855 108.800 0.067 0.000 2.030 337 G HA2 0.014 3.974 3.960 -0.000 0.000 0.309 337 G HA3 0.014 3.974 3.960 -0.000 0.000 0.309 337 G C -1.099 173.849 174.900 0.079 0.000 1.668 337 G CA -0.787 44.378 45.100 0.108 0.000 0.926 337 G HN 0.510 nan 8.290 nan 0.000 0.652 338 E N 1.388 121.637 120.200 0.080 0.000 2.383 338 E HA 0.131 4.481 4.350 -0.000 0.000 0.264 338 E C 1.365 177.952 176.600 -0.021 0.000 1.050 338 E CA -0.554 55.868 56.400 0.037 0.000 0.896 338 E CB 1.848 31.577 29.700 0.048 0.000 0.982 338 E HN 0.579 nan 8.360 nan 0.000 0.424 339 R N 2.153 122.624 120.500 -0.048 0.000 2.112 339 R HA -0.230 4.110 4.340 -0.000 0.000 0.242 339 R C 1.545 177.756 176.300 -0.149 0.000 1.137 339 R CA 1.707 57.739 56.100 -0.113 0.000 0.944 339 R CB 0.124 30.369 30.300 -0.091 0.000 0.857 339 R HN 0.501 nan 8.270 nan 0.000 0.435 340 E N -0.123 120.017 120.200 -0.099 0.000 2.072 340 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 340 E C 2.116 178.639 176.600 -0.129 0.000 0.985 340 E CA 1.132 57.471 56.400 -0.102 0.000 0.801 340 E CB -0.182 29.483 29.700 -0.058 0.000 0.750 340 E HN 0.228 nan 8.360 nan 0.000 0.452 341 V N 1.646 121.503 119.914 -0.094 0.000 2.295 341 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 341 V C 2.452 178.263 176.094 -0.471 0.000 1.049 341 V CA 1.516 63.765 62.300 -0.084 0.000 1.024 341 V CB -0.467 31.436 31.823 0.133 0.000 0.648 341 V HN 0.184 nan 8.190 nan 0.000 0.447 342 I N -0.520 119.726 120.570 -0.541 0.000 2.226 342 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 342 I C 2.331 177.993 176.117 -0.758 0.000 1.100 342 I CA 1.493 62.223 61.300 -0.949 0.000 1.374 342 I CB -0.320 37.475 38.000 -0.341 0.000 1.057 342 I HN 0.248 nan 8.210 nan 0.000 0.413 343 L N 0.397 121.355 121.223 -0.441 0.000 2.127 343 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 343 L C 2.636 179.375 176.870 -0.219 0.000 1.089 343 L CA 1.506 56.168 54.840 -0.297 0.000 0.757 343 L CB -1.193 40.736 42.059 -0.217 0.000 0.899 343 L HN 0.354 nan 8.230 nan 0.000 0.434 344 G N 1.087 109.742 108.800 -0.242 0.000 2.453 344 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.215 344 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.215 344 G C 1.229 176.137 174.900 0.013 0.000 1.201 344 G CA 1.066 46.108 45.100 -0.096 0.000 0.784 344 G HN 0.481 nan 8.290 nan 0.000 0.545 345 F N 0.422 120.454 119.950 0.137 0.000 2.710 345 F HA 0.326 4.853 4.527 -0.000 0.000 0.298 345 F C 2.118 177.999 175.800 0.136 0.000 1.137 345 F CA -0.336 57.757 58.000 0.155 0.000 1.444 345 F CB -0.843 38.281 39.000 0.207 0.000 1.111 345 F HN -0.005 nan 8.300 nan 0.000 0.580 346 V N 1.259 121.295 119.914 0.202 0.000 2.343 346 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 346 V C 2.125 178.300 176.094 0.134 0.000 1.051 346 V CA 2.334 64.755 62.300 0.202 0.000 1.036 346 V CB -0.636 31.252 31.823 0.108 0.000 0.654 346 V HN 0.216 nan 8.190 nan 0.000 0.451 347 D N 0.083 120.538 120.400 0.091 0.000 2.117 347 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 347 D C 2.081 178.469 176.300 0.147 0.000 0.987 347 D CA 1.238 55.297 54.000 0.099 0.000 0.829 347 D CB -0.301 40.547 40.800 0.079 0.000 0.961 347 D HN 0.333 nan 8.370 nan 0.000 0.460 348 L N -0.273 121.073 121.223 0.206 0.000 2.191 348 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 348 L C 2.396 179.351 176.870 0.142 0.000 1.103 348 L CA 0.732 55.754 54.840 0.304 0.000 0.769 348 L CB -0.236 42.032 42.059 0.348 0.000 0.908 348 L HN 0.055 nan 8.230 nan 0.000 0.438 349 M N -1.466 118.173 119.600 0.064 0.000 2.334 349 M HA -0.066 4.413 4.480 -0.000 0.000 0.266 349 M C 2.209 178.407 176.300 -0.170 0.000 1.082 349 M CA 1.453 56.697 55.300 -0.093 0.000 1.141 349 M CB 0.018 32.636 32.600 0.028 0.000 1.380 349 M HN 0.097 nan 8.290 nan 0.000 0.440 350 R N -0.567 119.896 120.500 -0.061 0.000 2.167 350 R HA 0.109 4.449 4.340 -0.000 0.000 0.201 350 R C -0.094 176.181 176.300 -0.041 0.000 1.024 350 R CA 0.229 56.301 56.100 -0.047 0.000 1.053 350 R CB 0.273 30.588 30.300 0.024 0.000 0.987 350 R HN 0.226 nan 8.270 nan 0.000 0.493 351 D N 0.448 120.857 120.400 0.015 0.000 2.312 351 D HA 0.001 4.641 4.640 -0.000 0.000 0.248 351 D C 0.268 176.663 176.300 0.158 0.000 1.086 351 D CA -0.007 54.050 54.000 0.094 0.000 0.948 351 D CB 1.239 42.126 40.800 0.145 0.000 1.162 351 D HN -0.096 nan 8.370 nan 0.000 0.446 352 D N -0.703 119.823 120.400 0.210 0.000 2.234 352 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 352 D C -0.662 175.898 176.300 0.433 0.000 0.962 352 D CA 0.660 54.841 54.000 0.301 0.000 0.855 352 D CB 0.223 41.154 40.800 0.218 0.000 0.951 352 D HN 0.340 nan 8.370 nan 0.000 0.500 353 Y N -0.369 120.059 120.300 0.212 0.000 2.323 353 Y HA 0.399 4.949 4.550 -0.000 0.000 0.322 353 Y C -1.732 174.249 175.900 0.136 0.000 1.133 353 Y CA -0.936 57.255 58.100 0.151 0.000 1.093 353 Y CB 1.433 39.949 38.460 0.092 0.000 1.203 353 Y HN -0.346 nan 8.280 nan 0.000 0.427 354 V N 5.961 125.819 119.914 -0.094 0.000 2.407 354 V HA 0.336 4.456 4.120 -0.000 0.000 0.291 354 V C -0.368 175.649 176.094 -0.128 0.000 1.018 354 V CA -0.984 61.314 62.300 -0.004 0.000 0.842 354 V CB 1.429 33.300 31.823 0.081 0.000 0.996 354 V HN 0.675 nan 8.190 nan 0.000 0.426 355 E N 2.852 123.055 120.200 0.004 0.000 2.383 355 E HA 0.126 4.476 4.350 -0.000 0.000 0.264 355 E C 0.086 176.687 176.600 0.002 0.000 1.050 355 E CA -0.460 55.949 56.400 0.015 0.000 0.896 355 E CB 1.147 30.907 29.700 0.100 0.000 0.982 355 E HN 0.549 nan 8.360 nan 0.000 0.424 356 K N 2.005 122.405 120.400 -0.000 0.000 2.530 356 K HA -0.150 4.170 4.320 -0.000 0.000 0.280 356 K C -0.620 175.963 176.600 -0.029 0.000 1.004 356 K CA 0.740 57.020 56.287 -0.013 0.000 1.071 356 K CB 0.273 32.764 32.500 -0.014 0.000 0.876 356 K HN 0.327 nan 8.250 nan 0.000 0.487 357 D N 3.938 124.304 120.400 -0.056 0.000 2.351 357 D HA 0.147 4.787 4.640 -0.000 0.000 0.235 357 D C 0.198 176.426 176.300 -0.119 0.000 1.331 357 D CA -0.469 53.490 54.000 -0.067 0.000 0.959 357 D CB 0.571 41.350 40.800 -0.034 0.000 1.432 357 D HN 0.477 nan 8.370 nan 0.000 0.544 358 R N 0.749 121.144 120.500 -0.176 0.000 2.237 358 R HA -0.044 4.296 4.340 -0.000 0.000 0.219 358 R C 1.725 177.911 176.300 -0.190 0.000 1.080 358 R CA 0.953 56.887 56.100 -0.277 0.000 0.995 358 R CB -0.359 29.750 30.300 -0.318 0.000 0.875 358 R HN 0.480 nan 8.270 nan 0.000 0.462 359 S N -0.056 115.573 115.700 -0.118 0.000 2.515 359 S HA -0.014 4.456 4.470 -0.000 0.000 0.231 359 S C 1.499 176.059 174.600 -0.067 0.000 0.987 359 S CA 0.481 58.632 58.200 -0.081 0.000 0.936 359 S CB 0.065 63.229 63.200 -0.059 0.000 0.766 359 S HN 0.250 nan 8.310 nan 0.000 0.528 360 R N 0.080 120.537 120.500 -0.072 0.000 2.543 360 R HA 0.323 4.663 4.340 -0.000 0.000 0.323 360 R C 1.092 177.368 176.300 -0.039 0.000 1.002 360 R CA 0.299 56.366 56.100 -0.054 0.000 1.106 360 R CB 0.490 30.758 30.300 -0.053 0.000 1.280 360 R HN 0.493 nan 8.270 nan 0.000 0.549 361 G N 1.864 110.620 108.800 -0.073 0.000 2.153 361 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.252 361 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.252 361 G C 0.108 175.046 174.900 0.062 0.000 0.994 361 G CA -0.096 44.981 45.100 -0.038 0.000 0.698 361 G HN 0.276 nan 8.290 nan 0.000 0.521 362 I N 0.731 121.293 120.570 -0.013 0.000 2.281 362 I HA 0.306 4.475 4.170 -0.000 0.000 0.293 362 I C 1.232 177.331 176.117 -0.030 0.000 1.085 362 I CA -0.870 60.464 61.300 0.057 0.000 1.257 362 I CB 0.404 38.428 38.000 0.040 0.000 1.430 362 I HN 0.072 nan 8.210 nan 0.000 0.489 363 Y N 5.200 125.393 120.300 -0.179 0.000 2.519 363 Y HA 0.173 4.723 4.550 -0.000 0.000 0.287 363 Y C 0.194 175.726 175.900 -0.613 0.000 1.128 363 Y CA 0.408 58.257 58.100 -0.418 0.000 1.282 363 Y CB -0.003 38.090 38.460 -0.612 0.000 1.027 363 Y HN 0.304 nan 8.280 nan 0.000 0.551 364 F N -1.621 118.427 119.950 0.163 0.000 2.578 364 F HA 0.350 4.877 4.527 -0.000 0.000 0.311 364 F C 0.209 175.994 175.800 -0.026 0.000 1.094 364 F CA -1.765 56.276 58.000 0.069 0.000 0.923 364 F CB 1.041 40.074 39.000 0.054 0.000 1.230 364 F HN -0.483 nan 8.300 nan 0.000 0.450 365 T N 2.125 116.755 114.554 0.126 0.000 2.867 365 T HA 0.176 4.526 4.350 -0.000 0.000 0.297 365 T C -0.323 174.276 174.700 -0.170 0.000 0.989 365 T CA 0.162 62.220 62.100 -0.071 0.000 1.159 365 T CB 0.395 69.209 68.868 -0.091 0.000 0.928 365 T HN 0.441 nan 8.240 nan 0.000 0.538 366 Q N 2.743 122.355 119.800 -0.314 0.000 2.333 366 Q HA 0.343 4.683 4.340 -0.000 0.000 0.268 366 Q C -1.404 174.250 176.000 -0.575 0.000 1.007 366 Q CA -0.677 54.871 55.803 -0.424 0.000 0.810 366 Q CB 1.271 29.791 28.738 -0.364 0.000 1.264 366 Q HN 0.478 nan 8.270 nan 0.000 0.452 367 D N 3.915 124.013 120.400 -0.503 0.000 2.349 367 D HA 0.271 4.911 4.640 -0.000 0.000 0.232 367 D C -1.122 175.032 176.300 -0.243 0.000 1.071 367 D CA -0.222 53.637 54.000 -0.235 0.000 0.832 367 D CB 0.404 41.196 40.800 -0.014 0.000 1.086 367 D HN 0.461 nan 8.370 nan 0.000 0.504 371 M N 3.869 123.549 119.600 0.133 0.000 2.260 371 M HA 0.147 4.627 4.480 -0.000 0.000 0.348 371 M C -2.535 173.751 176.300 -0.024 0.000 1.342 371 M CA -0.721 54.620 55.300 0.068 0.000 1.040 371 M CB 0.260 32.933 32.600 0.121 0.000 1.810 371 M HN -0.120 nan 8.290 nan 0.000 0.453 372 P HA 0.111 nan 4.420 nan 0.000 0.268 372 P C -0.471 176.741 177.300 -0.146 0.000 1.208 372 P CA -0.126 62.935 63.100 -0.064 0.000 0.777 372 P CB 0.351 32.025 31.700 -0.043 0.000 0.875 373 G N 0.442 109.174 108.800 -0.114 0.000 2.476 373 G HA2 0.465 4.425 3.960 -0.000 0.000 0.286 373 G HA3 0.465 4.425 3.960 -0.000 0.000 0.286 373 G C -0.922 173.904 174.900 -0.123 0.000 1.177 373 G CA -0.409 44.598 45.100 -0.154 0.000 0.870 373 G HN 0.355 nan 8.290 nan 0.000 0.528 374 V N 2.241 122.066 119.914 -0.148 0.000 2.435 374 V HA 0.298 4.417 4.120 -0.000 0.000 0.290 374 V C 0.299 176.363 176.094 -0.050 0.000 1.030 374 V CA -0.755 61.482 62.300 -0.105 0.000 0.881 374 V CB 1.553 33.279 31.823 -0.163 0.000 0.983 374 V HN 0.804 nan 8.190 nan 0.000 0.445 375 M N 9.663 129.255 119.600 -0.014 0.000 2.251 375 M HA 0.300 4.780 4.480 -0.000 0.000 0.346 375 M C -2.317 173.916 176.300 -0.110 0.000 1.499 375 M CA -1.384 53.883 55.300 -0.056 0.000 1.128 375 M CB 0.530 33.074 32.600 -0.093 0.000 1.809 375 M HN 0.348 nan 8.290 nan 0.000 0.464 376 P HA 0.128 nan 4.420 nan 0.000 0.275 376 P C -1.249 175.886 177.300 -0.277 0.000 1.227 376 P CA -0.248 62.807 63.100 -0.075 0.000 0.781 376 P CB 0.690 32.457 31.700 0.113 0.000 0.906 377 V N 2.687 122.408 119.914 -0.322 0.000 2.376 377 V HA 0.475 4.595 4.120 -0.000 0.000 0.287 377 V C 0.414 176.197 176.094 -0.518 0.000 1.015 377 V CA -0.847 61.169 62.300 -0.473 0.000 0.834 377 V CB 1.175 32.673 31.823 -0.541 0.000 1.001 377 V HN 0.685 nan 8.190 nan 0.000 0.428 378 A N 3.929 126.378 122.820 -0.618 0.000 2.269 378 A HA 0.791 5.111 4.320 -0.000 0.000 0.302 378 A C 0.143 177.467 177.584 -0.433 0.000 1.266 378 A CA -0.108 51.613 52.037 -0.527 0.000 0.894 378 A CB 0.788 19.343 19.000 -0.742 0.000 1.147 378 A HN 0.887 nan 8.150 nan 0.000 0.537 379 S N 1.825 117.342 115.700 -0.305 0.000 2.533 379 S HA 0.731 5.201 4.470 -0.000 0.000 0.271 379 S C -0.512 173.991 174.600 -0.163 0.000 1.143 379 S CA 0.428 58.478 58.200 -0.250 0.000 0.891 379 S CB 1.235 64.347 63.200 -0.147 0.000 1.105 379 S HN 2.597 nan 8.310 nan 0.000 0.468 380 G N 1.735 110.424 108.800 -0.185 0.000 2.949 380 G HA2 0.447 4.407 3.960 -0.000 0.000 0.658 380 G HA3 0.447 4.407 3.960 -0.000 0.000 0.658 380 G C 0.870 175.623 174.900 -0.245 0.000 1.194 380 G CA 0.332 45.335 45.100 -0.160 0.000 1.204 380 G HN 2.201 nan 8.290 nan 0.000 0.524 381 G N 0.247 108.922 108.800 -0.208 0.000 2.176 381 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.252 381 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.252 381 G C 0.582 175.468 174.900 -0.023 0.000 1.024 381 G CA 0.936 45.900 45.100 -0.227 0.000 0.755 381 G HN 2.290 nan 8.290 nan 0.000 0.507 382 I N -1.997 118.550 120.570 -0.038 0.000 2.607 382 I HA 0.960 5.130 4.170 -0.000 0.000 0.305 382 I C 0.192 176.506 176.117 0.329 0.000 0.995 382 I CA -1.364 60.013 61.300 0.128 0.000 1.148 382 I CB 1.650 39.559 38.000 -0.153 0.000 1.323 382 I HN 0.340 nan 8.210 nan 0.000 0.461 383 H N 1.449 120.831 119.070 0.519 0.000 2.942 383 H HA 0.443 4.999 4.556 -0.000 0.000 0.316 383 H C 0.639 176.045 175.328 0.131 0.000 1.323 383 H CA -0.463 55.668 56.048 0.138 0.000 1.144 383 H CB 0.608 30.172 29.762 -0.329 0.000 1.866 383 H HN 0.365 nan 8.280 nan 0.000 0.545 384 V N -2.840 117.157 119.914 0.139 0.000 2.370 384 V HA -0.270 3.850 4.120 -0.000 0.000 0.252 384 V C 1.301 177.355 176.094 -0.066 0.000 1.068 384 V CA 1.923 64.168 62.300 -0.092 0.000 1.061 384 V CB -1.241 30.440 31.823 -0.236 0.000 0.656 384 V HN 0.786 nan 8.190 nan 0.000 0.455 385 W N -0.376 121.015 121.300 0.152 0.000 2.519 385 W HA 0.056 4.716 4.660 -0.000 0.000 0.266 385 W C 2.589 179.084 176.519 -0.041 0.000 1.253 385 W CA 1.002 58.370 57.345 0.038 0.000 1.274 385 W CB -0.404 29.114 29.460 0.096 0.000 1.114 385 W HN 0.347 nan 8.180 nan 0.000 0.596 386 H N -0.747 118.428 119.070 0.176 0.000 2.547 386 H HA -0.003 4.553 4.556 -0.000 0.000 0.272 386 H C 1.863 177.278 175.328 0.145 0.000 0.989 386 H CA 0.976 57.087 56.048 0.106 0.000 1.214 386 H CB -0.440 29.326 29.762 0.006 0.000 1.389 386 H HN 0.186 nan 8.280 nan 0.000 0.577 387 M N 1.496 121.241 119.600 0.241 0.000 2.080 387 M HA -0.056 4.424 4.480 -0.000 0.000 0.260 387 M C -0.958 175.440 176.300 0.164 0.000 1.068 387 M CA 1.504 56.922 55.300 0.196 0.000 1.109 387 M CB -0.840 31.809 32.600 0.082 0.000 1.342 387 M HN 0.038 nan 8.290 nan 0.000 0.405 388 P HA -0.091 nan 4.420 nan 0.000 0.215 388 P C 1.135 178.512 177.300 0.129 0.000 1.153 388 P CA 2.209 65.383 63.100 0.124 0.000 0.853 388 P CB -0.381 31.393 31.700 0.123 0.000 0.788 389 A N -0.719 122.191 122.820 0.150 0.000 1.902 389 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 389 A C 2.229 179.895 177.584 0.138 0.000 1.181 389 A CA 1.455 53.568 52.037 0.127 0.000 0.623 389 A CB -1.651 17.432 19.000 0.139 0.000 0.818 389 A HN 0.114 nan 8.150 nan 0.000 0.443 390 L N -0.632 120.710 121.223 0.198 0.000 2.056 390 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 390 L C 2.489 179.545 176.870 0.309 0.000 1.078 390 L CA 1.025 56.043 54.840 0.296 0.000 0.749 390 L CB -0.550 41.660 42.059 0.252 0.000 0.901 390 L HN 0.233 nan 8.230 nan 0.000 0.433 391 V N -0.419 119.616 119.914 0.202 0.000 2.427 391 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 391 V C 2.480 178.649 176.094 0.125 0.000 1.051 391 V CA 1.706 64.103 62.300 0.162 0.000 1.048 391 V CB -0.458 31.437 31.823 0.120 0.000 0.666 391 V HN 0.469 nan 8.190 nan 0.000 0.456 392 E N 0.066 120.323 120.200 0.094 0.000 2.047 392 E HA -0.179 4.170 4.350 -0.000 0.000 0.191 392 E C 2.234 178.829 176.600 -0.007 0.000 0.987 392 E CA 1.445 57.872 56.400 0.045 0.000 0.799 392 E CB -0.073 29.649 29.700 0.037 0.000 0.752 392 E HN 0.595 nan 8.360 nan 0.000 0.449 393 I N -0.139 120.398 120.570 -0.055 0.000 2.142 393 I HA -0.259 3.911 4.170 -0.000 0.000 0.240 393 I C 1.949 177.855 176.117 -0.352 0.000 1.078 393 I CA 1.232 62.365 61.300 -0.278 0.000 1.343 393 I CB -0.188 37.515 38.000 -0.495 0.000 1.046 393 I HN 0.078 nan 8.210 nan 0.000 0.405 394 F N 0.261 120.213 119.950 0.002 0.000 2.446 394 F HA 0.294 4.821 4.527 -0.000 0.000 0.292 394 F C 1.694 177.500 175.800 0.012 0.000 1.096 394 F CA 0.691 58.692 58.000 0.001 0.000 1.438 394 F CB -0.726 38.271 39.000 -0.005 0.000 1.107 394 F HN 0.172 nan 8.300 nan 0.000 0.546 395 G N 0.714 109.619 108.800 0.175 0.000 2.598 395 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.244 395 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.244 395 G C 0.220 175.199 174.900 0.131 0.000 1.302 395 G CA 0.179 45.352 45.100 0.122 0.000 0.903 395 G HN 0.168 nan 8.290 nan 0.000 0.575 396 D N 0.607 121.066 120.400 0.099 0.000 2.234 396 D HA 0.093 4.733 4.640 -0.000 0.000 0.205 396 D C 0.796 177.141 176.300 0.075 0.000 0.962 396 D CA 1.069 55.120 54.000 0.085 0.000 0.855 396 D CB -0.059 40.789 40.800 0.080 0.000 0.951 396 D HN 0.354 nan 8.370 nan 0.000 0.500 397 D N 0.851 121.301 120.400 0.083 0.000 2.619 397 D HA 0.479 5.119 4.640 -0.000 0.000 0.224 397 D C -0.359 175.967 176.300 0.043 0.000 1.133 397 D CA 0.095 54.132 54.000 0.062 0.000 1.017 397 D CB 0.266 41.107 40.800 0.067 0.000 1.077 397 D HN 0.007 nan 8.370 nan 0.000 0.503 398 A N 0.306 123.117 122.820 -0.015 0.000 2.612 398 A HA 0.504 4.824 4.320 -0.000 0.000 0.293 398 A C -1.092 176.388 177.584 -0.173 0.000 1.075 398 A CA -0.773 51.180 52.037 -0.141 0.000 0.680 398 A CB 1.455 20.309 19.000 -0.243 0.000 1.279 398 A HN 0.395 nan 8.150 nan 0.000 0.411 399 C N 2.087 121.224 119.300 -0.271 0.000 2.329 399 C HA 0.771 5.231 4.460 -0.000 0.000 0.329 399 C C -0.624 174.212 174.990 -0.256 0.000 1.275 399 C CA -0.552 58.352 59.018 -0.191 0.000 1.726 399 C CB -1.176 26.444 27.740 -0.200 0.000 2.291 399 C HN 0.640 nan 8.230 nan 0.000 0.514 400 L N 6.623 127.756 121.223 -0.150 0.000 2.287 400 L HA 0.509 4.849 4.340 -0.000 0.000 0.287 400 L C -0.115 176.619 176.870 -0.228 0.000 1.022 400 L CA -0.118 54.581 54.840 -0.235 0.000 0.814 400 L CB 1.097 43.122 42.059 -0.056 0.000 1.217 400 L HN 0.631 nan 8.230 nan 0.000 0.420 401 Q N 3.672 123.190 119.800 -0.469 0.000 2.322 401 Q HA 0.524 4.864 4.340 -0.000 0.000 0.265 401 Q C -1.494 174.170 176.000 -0.561 0.000 0.985 401 Q CA -0.425 55.184 55.803 -0.324 0.000 0.849 401 Q CB 2.424 31.047 28.738 -0.191 0.000 1.274 401 Q HN 0.436 nan 8.270 nan 0.000 0.449 402 F N 0.879 120.799 119.950 -0.050 0.000 2.434 402 F HA 0.350 4.877 4.527 -0.000 0.000 0.367 402 F C 0.922 176.697 175.800 -0.041 0.000 1.093 402 F CA -0.703 57.264 58.000 -0.054 0.000 1.085 402 F CB 1.307 40.274 39.000 -0.054 0.000 1.322 402 F HN 0.738 nan 8.300 nan 0.000 0.452 403 G N 1.584 110.425 108.800 0.069 0.000 2.624 403 G HA2 0.038 3.998 3.960 -0.000 0.000 0.216 403 G HA3 0.038 3.998 3.960 -0.000 0.000 0.216 403 G C 1.762 176.706 174.900 0.072 0.000 1.274 403 G CA 0.630 45.762 45.100 0.054 0.000 0.856 403 G HN 0.744 nan 8.290 nan 0.000 0.555 404 G N 0.651 109.486 108.800 0.057 0.000 2.450 404 G HA2 0.071 4.031 3.960 -0.000 0.000 0.220 404 G HA3 0.071 4.031 3.960 -0.000 0.000 0.220 404 G C 1.668 176.606 174.900 0.062 0.000 1.130 404 G CA 1.328 46.477 45.100 0.082 0.000 0.760 404 G HN 0.685 nan 8.290 nan 0.000 0.557 405 G N -0.776 108.000 108.800 -0.040 0.000 2.625 405 G HA2 0.140 4.100 3.960 -0.000 0.000 0.214 405 G HA3 0.140 4.100 3.960 -0.000 0.000 0.214 405 G C 1.411 176.368 174.900 0.094 0.000 1.132 405 G CA 1.553 46.530 45.100 -0.205 0.000 0.782 405 G HN 0.414 nan 8.290 nan 0.000 0.538 406 T N 0.050 114.709 114.554 0.174 0.000 3.138 406 T HA 0.101 4.451 4.350 -0.000 0.000 0.245 406 T C 1.927 176.743 174.700 0.195 0.000 0.982 406 T CA -0.128 62.073 62.100 0.167 0.000 1.134 406 T CB -0.004 68.918 68.868 0.090 0.000 1.032 406 T HN 0.056 nan 8.240 nan 0.000 0.442 407 L N 1.545 122.862 121.223 0.156 0.000 2.552 407 L HA 0.291 4.630 4.340 -0.000 0.000 0.227 407 L C 2.199 179.185 176.870 0.193 0.000 1.146 407 L CA 0.788 55.709 54.840 0.134 0.000 0.858 407 L CB -0.205 41.898 42.059 0.074 0.000 0.969 407 L HN 0.361 nan 8.230 nan 0.000 0.451 408 G N -3.058 105.930 108.800 0.313 0.000 3.126 408 G HA2 -0.062 3.897 3.960 -0.000 0.000 0.224 408 G HA3 -0.062 3.897 3.960 -0.000 0.000 0.224 408 G C 0.514 175.613 174.900 0.331 0.000 1.142 408 G CA -0.308 45.023 45.100 0.384 0.000 0.759 408 G HN 0.271 nan 8.290 nan 0.000 0.550 409 H N 2.013 121.222 119.070 0.231 0.000 2.928 409 H HA 0.054 4.610 4.556 -0.000 0.000 0.338 409 H C -0.998 174.281 175.328 -0.082 0.000 1.047 409 H CA -0.864 55.168 56.048 -0.025 0.000 1.435 409 H CB 1.981 31.746 29.762 0.004 0.000 1.428 409 H HN 0.029 nan 8.280 nan 0.000 0.590 410 P HA -0.146 nan 4.420 nan 0.000 0.221 410 P C 0.682 178.158 177.300 0.294 0.000 1.145 410 P CA 1.162 64.196 63.100 -0.110 0.000 0.795 410 P CB 0.095 31.617 31.700 -0.296 0.000 0.775 411 W N 0.202 121.644 121.300 0.236 0.000 3.220 411 W HA 0.510 5.170 4.660 -0.000 0.000 0.328 411 W C 1.089 177.665 176.519 0.096 0.000 1.205 411 W CA 0.394 57.838 57.345 0.165 0.000 1.773 411 W CB -0.637 28.925 29.460 0.169 0.000 1.086 411 W HN 0.057 nan 8.180 nan 0.000 0.622 412 G N 0.946 109.927 108.800 0.302 0.000 2.566 412 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.599 412 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.599 412 G C 0.625 175.564 174.900 0.065 0.000 1.292 412 G CA -0.198 44.989 45.100 0.146 0.000 0.922 412 G HN -0.041 nan 8.290 nan 0.000 0.514 413 N N -0.022 118.688 118.700 0.016 0.000 2.106 413 N HA 0.027 4.767 4.740 -0.000 0.000 0.188 413 N C 2.702 178.161 175.510 -0.086 0.000 1.029 413 N CA 2.479 55.513 53.050 -0.027 0.000 0.848 413 N CB -0.679 37.783 38.487 -0.042 0.000 1.007 413 N HN 1.064 nan 8.380 nan 0.000 0.423 414 A N 1.536 124.295 122.820 -0.103 0.000 1.873 414 A HA -0.024 4.296 4.320 -0.000 0.000 0.215 414 A C -0.194 177.308 177.584 -0.136 0.000 1.186 414 A CA 1.255 53.215 52.037 -0.128 0.000 0.616 414 A CB -1.514 17.405 19.000 -0.135 0.000 0.823 414 A HN 0.210 nan 8.150 nan 0.000 0.442 415 P HA -0.106 nan 4.420 nan 0.000 0.216 415 P C 1.745 178.672 177.300 -0.621 0.000 1.150 415 P CA 1.739 64.676 63.100 -0.272 0.000 0.837 415 P CB -0.355 31.280 31.700 -0.109 0.000 0.786 416 G N 0.197 108.630 108.800 -0.612 0.000 2.446 416 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 416 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 416 G C 1.681 176.466 174.900 -0.190 0.000 1.168 416 G CA 1.092 45.969 45.100 -0.372 0.000 0.771 416 G HN 0.326 nan 8.290 nan 0.000 0.551 417 A N 1.220 123.950 122.820 -0.151 0.000 1.877 417 A HA 0.227 4.547 4.320 -0.000 0.000 0.216 417 A C 2.851 180.355 177.584 -0.134 0.000 1.186 417 A CA 2.447 54.413 52.037 -0.118 0.000 0.620 417 A CB -0.922 18.020 19.000 -0.098 0.000 0.822 417 A HN 0.884 nan 8.150 nan 0.000 0.443 418 A N -0.156 122.579 122.820 -0.142 0.000 1.908 418 A HA 0.107 4.426 4.320 -0.000 0.000 0.218 418 A C 2.508 180.012 177.584 -0.133 0.000 1.181 418 A CA 2.274 54.245 52.037 -0.110 0.000 0.627 418 A CB -1.038 17.913 19.000 -0.083 0.000 0.818 418 A HN 1.100 nan 8.150 nan 0.000 0.445 419 A N 0.240 122.947 122.820 -0.189 0.000 1.877 419 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 419 A C 1.905 179.358 177.584 -0.218 0.000 1.186 419 A CA 1.847 53.767 52.037 -0.194 0.000 0.620 419 A CB -0.876 18.040 19.000 -0.141 0.000 0.822 419 A HN 0.715 nan 8.150 nan 0.000 0.443 420 N N -1.208 117.339 118.700 -0.255 0.000 2.188 420 N HA -0.166 4.574 4.740 -0.000 0.000 0.184 420 N C 1.977 177.345 175.510 -0.237 0.000 1.018 420 N CA 1.331 54.148 53.050 -0.388 0.000 0.858 420 N CB -0.124 38.040 38.487 -0.538 0.000 0.989 420 N HN 0.435 nan 8.380 nan 0.000 0.426 421 R N 1.165 121.578 120.500 -0.146 0.000 2.075 421 R HA 0.008 4.348 4.340 -0.000 0.000 0.232 421 R C 1.785 178.065 176.300 -0.034 0.000 1.126 421 R CA 0.990 57.047 56.100 -0.071 0.000 0.963 421 R CB -0.753 29.517 30.300 -0.050 0.000 0.858 421 R HN -0.007 nan 8.270 nan 0.000 0.435 422 V N 1.037 120.929 119.914 -0.037 0.000 2.287 422 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 422 V C 2.373 178.453 176.094 -0.022 0.000 1.053 422 V CA 2.108 64.420 62.300 0.020 0.000 1.027 422 V CB -1.052 30.727 31.823 -0.074 0.000 0.646 422 V HN 0.564 nan 8.190 nan 0.000 0.447 423 A N -0.287 122.460 122.820 -0.122 0.000 1.883 423 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 423 A C 2.179 179.735 177.584 -0.046 0.000 1.186 423 A CA 2.291 54.252 52.037 -0.127 0.000 0.624 423 A CB -0.638 18.238 19.000 -0.207 0.000 0.822 423 A HN 0.479 nan 8.150 nan 0.000 0.444 424 L N 0.041 121.242 121.223 -0.037 0.000 2.017 424 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 424 L C 2.175 179.068 176.870 0.039 0.000 1.073 424 L CA 2.508 57.357 54.840 0.016 0.000 0.745 424 L CB -0.644 41.428 42.059 0.022 0.000 0.894 424 L HN 0.518 nan 8.230 nan 0.000 0.432 425 E N -0.465 119.762 120.200 0.044 0.000 2.150 425 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 425 E C 2.130 178.781 176.600 0.084 0.000 0.985 425 E CA 0.916 57.354 56.400 0.064 0.000 0.814 425 E CB -0.230 29.512 29.700 0.070 0.000 0.752 425 E HN 0.672 nan 8.360 nan 0.000 0.466 426 A N 0.824 123.709 122.820 0.107 0.000 1.898 426 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 426 A C 2.414 180.047 177.584 0.081 0.000 1.181 426 A CA 1.005 53.117 52.037 0.125 0.000 0.620 426 A CB -0.743 18.344 19.000 0.146 0.000 0.819 426 A HN 0.327 nan 8.150 nan 0.000 0.442 427 C N -1.012 118.324 119.300 0.060 0.000 2.446 427 C HA -0.062 4.398 4.460 -0.000 0.000 0.277 427 C C 3.045 178.072 174.990 0.063 0.000 1.275 427 C CA 1.517 60.571 59.018 0.060 0.000 1.727 427 C CB -1.436 26.341 27.740 0.062 0.000 2.010 427 C HN 0.646 nan 8.230 nan 0.000 0.486 428 T N 0.198 114.789 114.554 0.062 0.000 2.708 428 T HA -0.262 4.088 4.350 -0.000 0.000 0.266 428 T C 1.859 176.590 174.700 0.052 0.000 1.037 428 T CA 1.713 63.848 62.100 0.058 0.000 1.146 428 T CB -0.401 68.501 68.868 0.056 0.000 0.865 428 T HN 0.667 nan 8.240 nan 0.000 0.435 429 Q N 0.684 120.515 119.800 0.052 0.000 2.061 429 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 429 Q C 2.534 178.560 176.000 0.043 0.000 0.984 429 Q CA 1.628 57.457 55.803 0.044 0.000 0.846 429 Q CB -0.326 28.439 28.738 0.044 0.000 0.902 429 Q HN 0.537 nan 8.270 nan 0.000 0.421 430 A N 1.386 124.237 122.820 0.052 0.000 1.877 430 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 430 A C 2.184 179.794 177.584 0.044 0.000 1.186 430 A CA 1.411 53.478 52.037 0.050 0.000 0.620 430 A CB -0.744 18.291 19.000 0.057 0.000 0.822 430 A HN 0.318 nan 8.150 nan 0.000 0.443 431 R N 0.418 120.946 120.500 0.047 0.000 2.094 431 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 431 R C 1.771 178.093 176.300 0.038 0.000 1.137 431 R CA 2.195 58.322 56.100 0.044 0.000 0.943 431 R CB -0.880 29.450 30.300 0.050 0.000 0.850 431 R HN 0.772 nan 8.270 nan 0.000 0.433 432 N N 0.081 118.803 118.700 0.037 0.000 2.289 432 N HA -0.135 4.605 4.740 -0.000 0.000 0.184 432 N C 1.137 176.662 175.510 0.026 0.000 1.016 432 N CA 0.766 53.834 53.050 0.031 0.000 0.872 432 N CB -0.001 38.504 38.487 0.030 0.000 0.973 432 N HN 0.419 nan 8.380 nan 0.000 0.433 433 E N -0.433 119.783 120.200 0.027 0.000 2.478 433 E HA 0.053 4.403 4.350 -0.000 0.000 0.194 433 E C 0.959 177.572 176.600 0.023 0.000 1.045 433 E CA 0.119 56.533 56.400 0.023 0.000 0.868 433 E CB 0.406 30.120 29.700 0.025 0.000 0.885 433 E HN 0.441 nan 8.360 nan 0.000 0.505 434 G N 1.731 110.547 108.800 0.026 0.000 2.179 434 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 434 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 434 G C 0.161 175.077 174.900 0.027 0.000 0.990 434 G CA -0.477 44.637 45.100 0.024 0.000 0.646 434 G HN 0.055 nan 8.290 nan 0.000 0.517 435 R N 0.793 121.311 120.500 0.031 0.000 2.543 435 R HA 0.292 4.632 4.340 -0.000 0.000 0.277 435 R C -0.651 175.671 176.300 0.036 0.000 1.074 435 R CA -0.334 55.787 56.100 0.035 0.000 1.076 435 R CB 0.653 30.977 30.300 0.041 0.000 0.993 435 R HN 0.215 nan 8.270 nan 0.000 0.459 436 D N 3.597 124.018 120.400 0.035 0.000 2.365 436 D HA 0.040 4.680 4.640 -0.000 0.000 0.237 436 D C 1.056 177.382 176.300 0.043 0.000 1.190 436 D CA -0.118 53.903 54.000 0.035 0.000 0.867 436 D CB 0.719 41.537 40.800 0.030 0.000 1.050 436 D HN 0.424 nan 8.370 nan 0.000 0.491 437 L N 3.209 124.460 121.223 0.048 0.000 2.201 437 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 437 L C 2.398 179.306 176.870 0.064 0.000 1.105 437 L CA 0.974 55.850 54.840 0.060 0.000 0.775 437 L CB -0.258 41.840 42.059 0.065 0.000 0.913 437 L HN 0.437 nan 8.230 nan 0.000 0.440 438 A N -0.036 122.815 122.820 0.051 0.000 1.898 438 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 438 A C 2.351 179.965 177.584 0.050 0.000 1.181 438 A CA 1.431 53.497 52.037 0.049 0.000 0.620 438 A CB -0.263 18.757 19.000 0.033 0.000 0.819 438 A HN 0.213 nan 8.150 nan 0.000 0.442 439 R N -0.139 120.388 120.500 0.045 0.000 2.066 439 R HA 0.093 4.433 4.340 -0.000 0.000 0.224 439 R C 1.496 177.828 176.300 0.052 0.000 1.122 439 R CA 1.525 57.650 56.100 0.042 0.000 0.974 439 R CB -0.430 29.890 30.300 0.034 0.000 0.871 439 R HN 0.693 nan 8.270 nan 0.000 0.435 440 E N -0.791 119.443 120.200 0.057 0.000 2.481 440 E HA 0.155 4.505 4.350 -0.000 0.000 0.198 440 E C 1.475 178.123 176.600 0.080 0.000 1.027 440 E CA 0.307 56.745 56.400 0.063 0.000 0.900 440 E CB 0.500 30.232 29.700 0.054 0.000 0.993 440 E HN 0.378 nan 8.360 nan 0.000 0.482 441 G N 1.562 110.417 108.800 0.091 0.000 2.446 441 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 441 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 441 G C 1.531 176.519 174.900 0.148 0.000 1.168 441 G CA 0.857 46.024 45.100 0.111 0.000 0.771 441 G HN 0.389 nan 8.290 nan 0.000 0.551 442 G N 0.781 109.694 108.800 0.188 0.000 2.440 442 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 442 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 442 G C 1.492 176.521 174.900 0.215 0.000 1.154 442 G CA 1.395 46.666 45.100 0.284 0.000 0.767 442 G HN 0.349 nan 8.290 nan 0.000 0.552 443 D N 0.148 120.628 120.400 0.133 0.000 2.117 443 D HA -0.081 4.559 4.640 -0.000 0.000 0.197 443 D C 2.804 179.150 176.300 0.077 0.000 0.987 443 D CA 0.758 54.816 54.000 0.097 0.000 0.829 443 D CB -0.462 40.383 40.800 0.075 0.000 0.961 443 D HN 0.213 nan 8.370 nan 0.000 0.460 444 V N 1.680 121.637 119.914 0.072 0.000 2.287 444 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 444 V C 2.502 178.601 176.094 0.009 0.000 1.053 444 V CA 1.048 63.381 62.300 0.055 0.000 1.027 444 V CB -0.278 31.580 31.823 0.058 0.000 0.646 444 V HN 0.168 nan 8.190 nan 0.000 0.447 445 I N -0.021 120.532 120.570 -0.028 0.000 2.179 445 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 445 I C 2.668 178.665 176.117 -0.200 0.000 1.088 445 I CA 1.714 62.902 61.300 -0.187 0.000 1.357 445 I CB -1.280 36.508 38.000 -0.353 0.000 1.051 445 I HN 0.316 nan 8.210 nan 0.000 0.409 446 R N 0.315 120.786 120.500 -0.049 0.000 2.091 446 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 446 R C 2.498 178.775 176.300 -0.039 0.000 1.136 446 R CA 1.711 57.808 56.100 -0.006 0.000 0.959 446 R CB -0.319 30.045 30.300 0.107 0.000 0.856 446 R HN 0.293 nan 8.270 nan 0.000 0.437 447 S N 0.572 116.271 115.700 -0.002 0.000 2.370 447 S HA -0.160 4.310 4.470 -0.000 0.000 0.226 447 S C 2.033 176.618 174.600 -0.024 0.000 1.033 447 S CA 1.333 59.556 58.200 0.038 0.000 1.011 447 S CB -0.148 63.112 63.200 0.101 0.000 0.852 447 S HN 0.499 nan 8.310 nan 0.000 0.457 448 A N 0.297 123.032 122.820 -0.141 0.000 1.969 448 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 448 A C 2.318 179.348 177.584 -0.924 0.000 1.169 448 A CA 1.178 52.901 52.037 -0.524 0.000 0.635 448 A CB -1.181 17.617 19.000 -0.337 0.000 0.810 448 A HN 0.608 nan 8.150 nan 0.000 0.445 449 C N -0.552 118.445 119.300 -0.505 0.000 2.403 449 C HA -0.114 4.346 4.460 -0.000 0.000 0.282 449 C C 2.641 177.444 174.990 -0.311 0.000 1.297 449 C CA 1.471 60.249 59.018 -0.399 0.000 1.785 449 C CB -1.163 26.431 27.740 -0.243 0.000 1.963 449 C HN 0.620 nan 8.230 nan 0.000 0.507 450 K N 0.189 120.444 120.400 -0.241 0.000 2.097 450 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 450 K C 1.859 178.466 176.600 0.012 0.000 1.050 450 K CA 1.544 57.795 56.287 -0.061 0.000 0.938 450 K CB -0.123 32.408 32.500 0.051 0.000 0.718 450 K HN 0.855 nan 8.250 nan 0.000 0.442 451 W N -1.309 119.990 121.300 -0.002 0.000 3.177 451 W HA 0.348 5.008 4.660 -0.000 0.000 0.309 451 W C 0.015 176.537 176.519 0.005 0.000 1.224 451 W CA -0.368 56.978 57.345 0.003 0.000 1.718 451 W CB -0.006 29.453 29.460 -0.001 0.000 1.078 451 W HN -0.166 nan 8.180 nan 0.000 0.618 452 S N 2.667 118.091 115.700 -0.461 0.000 2.577 452 S HA 0.380 4.849 4.470 -0.000 0.000 0.294 452 S C -1.615 172.855 174.600 -0.217 0.000 1.161 452 S CA -1.310 56.663 58.200 -0.378 0.000 1.143 452 S CB 1.267 63.982 63.200 -0.809 0.000 0.991 452 S HN -0.312 nan 8.310 nan 0.000 0.475 453 P HA -0.073 nan 4.420 nan 0.000 0.218 453 P C 0.914 178.169 177.300 -0.074 0.000 1.148 453 P CA 1.012 64.159 63.100 0.079 0.000 0.822 453 P CB 0.251 32.138 31.700 0.312 0.000 0.784 454 E N -0.587 119.578 120.200 -0.058 0.000 2.051 454 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 454 E C 1.863 178.325 176.600 -0.229 0.000 0.991 454 E CA 0.831 57.104 56.400 -0.212 0.000 0.799 454 E CB -1.368 28.263 29.700 -0.114 0.000 0.748 454 E HN 0.108 nan 8.360 nan 0.000 0.449 455 L N 0.583 121.652 121.223 -0.256 0.000 2.046 455 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 455 L C 2.057 178.733 176.870 -0.324 0.000 1.077 455 L CA 2.105 56.765 54.840 -0.300 0.000 0.747 455 L CB -0.949 40.871 42.059 -0.399 0.000 0.896 455 L HN 0.123 nan 8.230 nan 0.000 0.432 456 A N -0.342 122.293 122.820 -0.309 0.000 1.883 456 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 456 A C 2.480 179.885 177.584 -0.297 0.000 1.186 456 A CA 2.167 54.051 52.037 -0.255 0.000 0.624 456 A CB -1.304 17.591 19.000 -0.175 0.000 0.822 456 A HN 0.602 nan 8.150 nan 0.000 0.444 457 A N -0.298 122.251 122.820 -0.452 0.000 1.908 457 A HA 0.117 4.437 4.320 -0.000 0.000 0.218 457 A C 2.511 179.670 177.584 -0.709 0.000 1.181 457 A CA 2.305 53.934 52.037 -0.680 0.000 0.627 457 A CB -1.013 17.190 19.000 -1.330 0.000 0.818 457 A HN 1.107 nan 8.150 nan 0.000 0.445 458 A N -1.074 121.401 122.820 -0.576 0.000 1.898 458 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 458 A C 2.300 179.742 177.584 -0.237 0.000 1.181 458 A CA 1.583 53.356 52.037 -0.440 0.000 0.620 458 A CB -1.285 17.714 19.000 -0.001 0.000 0.819 458 A HN 0.602 nan 8.150 nan 0.000 0.442 459 C N -0.729 118.444 119.300 -0.210 0.000 2.413 459 C HA -0.100 4.360 4.460 -0.000 0.000 0.277 459 C C 2.660 177.791 174.990 0.234 0.000 1.265 459 C CA 1.204 60.218 59.018 -0.006 0.000 1.752 459 C CB -1.105 26.503 27.740 -0.220 0.000 1.998 459 C HN 0.640 nan 8.230 nan 0.000 0.489 460 E N 0.429 120.596 120.200 -0.055 0.000 2.072 460 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 460 E C 2.203 178.686 176.600 -0.195 0.000 0.985 460 E CA 1.155 57.499 56.400 -0.093 0.000 0.801 460 E CB -0.011 29.594 29.700 -0.157 0.000 0.750 460 E HN 0.486 nan 8.360 nan 0.000 0.452 461 V N -0.057 119.607 119.914 -0.418 0.000 2.427 461 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 461 V C 1.457 177.228 176.094 -0.538 0.000 1.051 461 V CA 1.193 63.104 62.300 -0.648 0.000 1.048 461 V CB -0.264 30.859 31.823 -1.167 0.000 0.666 461 V HN 0.405 nan 8.190 nan 0.000 0.456 462 W N -0.477 120.737 121.300 -0.143 0.000 2.991 462 W HA 0.339 4.999 4.660 -0.000 0.000 0.391 462 W C 1.837 178.201 176.519 -0.258 0.000 1.054 462 W CA -0.932 56.233 57.345 -0.301 0.000 1.856 462 W CB -0.284 28.787 29.460 -0.649 0.000 1.132 462 W HN 0.254 nan 8.180 nan 0.000 0.601 463 K N 1.317 121.739 120.400 0.037 0.000 2.077 463 K HA -0.220 4.100 4.320 -0.000 0.000 0.213 463 K C 1.212 177.629 176.600 -0.306 0.000 1.051 463 K CA 1.797 57.931 56.287 -0.255 0.000 0.929 463 K CB 0.237 32.632 32.500 -0.175 0.000 0.715 463 K HN -0.085 nan 8.250 nan 0.000 0.451 464 E N 0.326 120.427 120.200 -0.166 0.000 2.465 464 E HA 0.016 4.366 4.350 -0.000 0.000 0.191 464 E C -0.076 176.461 176.600 -0.105 0.000 1.053 464 E CA 0.144 56.458 56.400 -0.144 0.000 0.869 464 E CB 0.340 29.973 29.700 -0.113 0.000 0.977 464 E HN 0.245 nan 8.360 nan 0.000 0.483 465 I N 2.075 122.609 120.570 -0.061 0.000 2.301 465 I HA 0.204 4.374 4.170 -0.000 0.000 0.292 465 I C 0.361 176.499 176.117 0.034 0.000 1.046 465 I CA -0.161 61.115 61.300 -0.039 0.000 1.282 465 I CB 0.189 38.208 38.000 0.033 0.000 1.409 465 I HN -0.272 nan 8.210 nan 0.000 0.484 466 K N 5.629 125.919 120.400 -0.185 0.000 2.443 466 K HA 0.646 4.966 4.320 -0.000 0.000 0.251 466 K C -1.418 174.941 176.600 -0.402 0.000 0.972 466 K CA -0.611 55.617 56.287 -0.099 0.000 0.833 466 K CB 2.557 35.033 32.500 -0.040 0.000 1.317 466 K HN 0.150 nan 8.250 nan 0.000 0.441 467 F N 1.507 121.540 119.950 0.139 0.000 2.513 467 F HA 0.304 4.830 4.527 -0.000 0.000 0.358 467 F C -0.470 175.375 175.800 0.075 0.000 1.118 467 F CA -0.561 57.532 58.000 0.155 0.000 1.037 467 F CB 1.553 40.689 39.000 0.226 0.000 1.276 467 F HN 0.292 nan 8.300 nan 0.000 0.446 468 E N 4.080 124.239 120.200 -0.067 0.000 2.255 468 E HA 0.545 4.894 4.350 -0.000 0.000 0.256 468 E C -1.351 175.006 176.600 -0.405 0.000 0.887 468 E CA -0.489 55.842 56.400 -0.116 0.000 0.782 468 E CB 1.917 31.544 29.700 -0.122 0.000 1.214 468 E HN 0.336 nan 8.360 nan 0.000 0.417 469 F N 0.292 120.288 119.950 0.077 0.000 2.643 469 F HA 0.212 4.739 4.527 -0.000 0.000 0.314 469 F C 0.118 175.947 175.800 0.048 0.000 1.096 469 F CA -1.219 56.818 58.000 0.061 0.000 0.953 469 F CB 1.391 40.433 39.000 0.069 0.000 1.345 469 F HN 0.253 nan 8.300 nan 0.000 0.468 470 D N 0.810 121.356 120.400 0.243 0.000 2.458 470 D HA 0.117 4.756 4.640 -0.000 0.000 0.243 470 D C -0.443 175.939 176.300 0.137 0.000 1.146 470 D CA 0.490 54.578 54.000 0.146 0.000 0.877 470 D CB 0.773 41.642 40.800 0.114 0.000 1.176 470 D HN 0.417 nan 8.370 nan 0.000 0.461 471 T N 5.805 120.422 114.554 0.105 0.000 2.814 471 T HA 0.097 4.447 4.350 -0.000 0.000 0.297 471 T C 1.458 176.204 174.700 0.077 0.000 0.956 471 T CA -0.739 61.416 62.100 0.092 0.000 1.123 471 T CB 0.703 69.623 68.868 0.085 0.000 0.902 471 T HN 0.294 nan 8.240 nan 0.000 0.528 472 I N 1.841 122.452 120.570 0.068 0.000 2.235 472 I HA -0.001 4.169 4.170 -0.000 0.000 0.241 472 I C 1.433 177.596 176.117 0.077 0.000 1.085 472 I CA 0.965 62.301 61.300 0.060 0.000 1.378 472 I CB -0.721 37.302 38.000 0.039 0.000 1.076 472 I HN 0.574 nan 8.210 nan 0.000 0.415 473 D N 2.833 123.287 120.400 0.090 0.000 2.545 473 D HA 0.074 4.714 4.640 -0.000 0.000 0.227 473 D C -0.015 176.375 176.300 0.150 0.000 1.150 473 D CA 0.142 54.220 54.000 0.129 0.000 1.046 473 D CB -0.202 40.679 40.800 0.135 0.000 1.098 473 D HN 0.086 nan 8.370 nan 0.000 0.502 474 K N 1.979 122.452 120.400 0.122 0.000 2.098 474 K HA 0.348 4.668 4.320 -0.000 0.000 0.261 474 K C 0.592 177.259 176.600 0.113 0.000 0.987 474 K CA -0.860 55.489 56.287 0.104 0.000 0.916 474 K CB 1.573 34.118 32.500 0.074 0.000 1.039 474 K HN 0.281 nan 8.250 nan 0.000 0.455 475 L N 0.000 121.278 121.223 0.091 0.000 2.949 475 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 475 L CA 0.000 54.885 54.840 0.075 0.000 0.813 475 L CB 0.000 42.078 42.059 0.032 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502