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 3l4o_1_F DATA FIRST_RESID 11 DATA SEQUENCE QETQGQAAAR AAAADLAAGQ DDEPRILEAP APDARRVYVN DPAHFAAVTQ DATA SEQUENCE QFVIDGEAGR VIGMIDGGFL PNPVVADDGS FIAHASTVFS RIARGERTDY DATA SEQUENCE VEVFDPVTLL PTADIELPDA PRFLVGTYPW MTSLTPDGKT LLFYQFSPAP DATA SEQUENCE AVGVVDLEGK AFKRMLDVPD cYHIFPTAPD TFFMHcRDGS LAKVAFGTEG DATA SEQUENCE TPEITHTEVF HPEDEFLINH PAYSQKAGRL VWPTYTGKIH QIDLSSGDAK DATA SEQUENCE FLPAVEALTE AERADGWRPG GWQQVAYHRA LDRIYLLVDQ RDEWRHKTAS DATA SEQUENCE RFVVVLDAKT GERLAKFEMG HEIDSINVSQ DEKPLLYALS TGDKTLYIHD DATA SEQUENCE AESGEELRSV NQLGHGPQVI TTADMG 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 11 Q HA 0.000 nan 4.340 nan 0.000 0.214 11 Q C 0.000 175.991 176.000 -0.014 0.000 1.003 11 Q CA 0.000 55.794 55.803 -0.015 0.000 1.022 11 Q CB 0.000 28.730 28.738 -0.013 0.000 1.108 12 E N 2.203 122.395 120.200 -0.013 0.000 2.480 12 E HA 0.160 4.509 4.350 -0.001 0.000 0.258 12 E C -0.343 176.248 176.600 -0.016 0.000 0.984 12 E CA 0.723 57.115 56.400 -0.013 0.000 0.930 12 E CB 0.539 30.232 29.700 -0.012 0.000 0.936 12 E HN 0.423 nan 8.360 nan 0.000 0.466 13 T N 0.939 115.483 114.554 -0.016 0.000 2.816 13 T HA -0.004 4.345 4.350 -0.001 0.000 0.282 13 T C 1.263 175.952 174.700 -0.019 0.000 0.993 13 T CA -0.100 61.989 62.100 -0.019 0.000 0.994 13 T CB 1.359 70.215 68.868 -0.020 0.000 1.025 13 T HN 0.664 nan 8.240 nan 0.000 0.529 14 Q N 0.808 120.595 119.800 -0.022 0.000 2.119 14 Q HA 0.016 4.355 4.340 -0.001 0.000 0.201 14 Q C 2.244 178.233 176.000 -0.019 0.000 0.972 14 Q CA 1.524 57.315 55.803 -0.021 0.000 0.847 14 Q CB -1.088 27.635 28.738 -0.025 0.000 0.903 14 Q HN 0.868 nan 8.270 nan 0.000 0.433 15 G N 1.010 109.798 108.800 -0.020 0.000 2.422 15 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.218 15 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.218 15 G C 1.370 176.262 174.900 -0.014 0.000 1.146 15 G CA 0.877 45.966 45.100 -0.017 0.000 0.769 15 G HN 0.420 nan 8.290 nan 0.000 0.547 16 Q N 0.166 119.958 119.800 -0.014 0.000 2.046 16 Q HA 0.072 4.411 4.340 -0.001 0.000 0.200 16 Q C 3.039 179.032 176.000 -0.011 0.000 0.975 16 Q CA 1.276 57.072 55.803 -0.012 0.000 0.836 16 Q CB -0.296 28.435 28.738 -0.012 0.000 0.896 16 Q HN 0.449 nan 8.270 nan 0.000 0.428 17 A N 1.079 123.892 122.820 -0.012 0.000 1.940 17 A HA -0.191 4.128 4.320 -0.001 0.000 0.219 17 A C 2.264 179.842 177.584 -0.010 0.000 1.176 17 A CA 1.771 53.801 52.037 -0.011 0.000 0.631 17 A CB -0.845 18.148 19.000 -0.012 0.000 0.814 17 A HN 0.414 nan 8.150 nan 0.000 0.446 18 A N -0.364 122.450 122.820 -0.011 0.000 1.929 18 A HA 0.247 4.566 4.320 -0.001 0.000 0.216 18 A C 2.488 180.067 177.584 -0.008 0.000 1.176 18 A CA 1.800 53.831 52.037 -0.010 0.000 0.628 18 A CB -0.945 18.049 19.000 -0.011 0.000 0.816 18 A HN 1.045 nan 8.150 nan 0.000 0.444 19 A N 0.088 122.903 122.820 -0.009 0.000 1.908 19 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 19 A C 2.245 179.825 177.584 -0.007 0.000 1.181 19 A CA 1.893 53.926 52.037 -0.008 0.000 0.627 19 A CB -0.489 18.506 19.000 -0.008 0.000 0.818 19 A HN 0.588 nan 8.150 nan 0.000 0.445 20 R N -0.479 120.017 120.500 -0.007 0.000 2.075 20 R HA -0.020 4.319 4.340 -0.001 0.000 0.232 20 R C 2.234 178.531 176.300 -0.006 0.000 1.126 20 R CA 1.452 57.548 56.100 -0.006 0.000 0.963 20 R CB -0.404 29.892 30.300 -0.007 0.000 0.858 20 R HN 0.402 nan 8.270 nan 0.000 0.435 21 A N 0.804 123.620 122.820 -0.006 0.000 1.898 21 A HA -0.004 4.315 4.320 -0.001 0.000 0.216 21 A C 2.390 179.972 177.584 -0.005 0.000 1.181 21 A CA 1.399 53.433 52.037 -0.005 0.000 0.620 21 A CB -0.811 18.185 19.000 -0.006 0.000 0.819 21 A HN 0.528 nan 8.150 nan 0.000 0.442 22 A N -0.005 122.812 122.820 -0.005 0.000 1.908 22 A HA 0.102 4.421 4.320 -0.001 0.000 0.218 22 A C 2.479 180.061 177.584 -0.004 0.000 1.181 22 A CA 2.226 54.261 52.037 -0.004 0.000 0.627 22 A CB -0.976 18.021 19.000 -0.005 0.000 0.818 22 A HN 1.061 nan 8.150 nan 0.000 0.445 23 A N -0.398 122.419 122.820 -0.004 0.000 1.930 23 A HA 0.227 4.547 4.320 -0.001 0.000 0.217 23 A C 2.458 180.040 177.584 -0.003 0.000 1.175 23 A CA 1.872 53.907 52.037 -0.004 0.000 0.627 23 A CB -0.859 18.139 19.000 -0.004 0.000 0.815 23 A HN 1.028 nan 8.150 nan 0.000 0.443 24 A N -0.055 122.763 122.820 -0.003 0.000 1.930 24 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 24 A C 1.738 179.320 177.584 -0.003 0.000 1.175 24 A CA 1.702 53.737 52.037 -0.003 0.000 0.627 24 A CB -0.434 18.564 19.000 -0.003 0.000 0.815 24 A HN 0.443 nan 8.150 nan 0.000 0.443 25 D N -0.303 120.096 120.400 -0.003 0.000 2.117 25 D HA -0.122 4.517 4.640 -0.001 0.000 0.198 25 D C 1.879 178.178 176.300 -0.002 0.000 0.982 25 D CA 1.356 55.355 54.000 -0.002 0.000 0.828 25 D CB -0.397 40.401 40.800 -0.002 0.000 0.967 25 D HN 0.389 nan 8.370 nan 0.000 0.464 26 L N 0.815 122.037 121.223 -0.002 0.000 2.083 26 L HA -0.032 4.307 4.340 -0.001 0.000 0.209 26 L C 2.033 178.902 176.870 -0.002 0.000 1.083 26 L CA 1.747 56.586 54.840 -0.002 0.000 0.752 26 L CB -0.546 41.511 42.059 -0.002 0.000 0.899 26 L HN -0.047 nan 8.230 nan 0.000 0.433 27 A N -0.592 122.227 122.820 -0.002 0.000 1.968 27 A HA 0.119 4.438 4.320 -0.001 0.000 0.217 27 A C 2.330 179.913 177.584 -0.002 0.000 1.169 27 A CA 1.230 53.266 52.037 -0.002 0.000 0.638 27 A CB -0.894 18.105 19.000 -0.002 0.000 0.812 27 A HN 0.552 nan 8.150 nan 0.000 0.446 28 A N -1.708 121.111 122.820 -0.002 0.000 2.169 28 A HA 0.406 4.726 4.320 -0.001 0.000 0.212 28 A C 1.775 179.359 177.584 -0.001 0.000 1.153 28 A CA 1.201 53.237 52.037 -0.001 0.000 0.756 28 A CB -0.808 18.191 19.000 -0.001 0.000 0.813 28 A HN 1.846 nan 8.150 nan 0.000 0.471 29 G N -0.664 108.135 108.800 -0.001 0.000 2.160 29 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.244 29 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.244 29 G C 0.060 174.960 174.900 -0.001 0.000 1.022 29 G CA 0.451 45.550 45.100 -0.001 0.000 0.741 29 G HN 0.855 nan 8.290 nan 0.000 0.508 30 Q N 0.673 120.473 119.800 -0.001 0.000 2.293 30 Q HA 0.514 4.854 4.340 -0.001 0.000 0.263 30 Q C 0.110 176.110 176.000 -0.001 0.000 1.002 30 Q CA -0.249 55.553 55.803 -0.001 0.000 0.910 30 Q CB 0.850 29.587 28.738 -0.001 0.000 1.185 30 Q HN 0.321 nan 8.270 nan 0.000 0.401 31 D N 2.293 122.693 120.400 -0.000 0.000 2.340 31 D HA 0.493 5.132 4.640 -0.001 0.000 0.251 31 D C -1.177 175.123 176.300 -0.000 0.000 1.080 31 D CA -0.204 53.796 54.000 -0.000 0.000 0.971 31 D CB 1.081 41.881 40.800 0.000 0.000 1.137 31 D HN 0.678 nan 8.370 nan 0.000 0.475 32 D N -0.557 119.842 120.400 -0.000 0.000 2.706 32 D HA 0.156 4.795 4.640 -0.001 0.000 0.225 32 D C -1.732 174.568 176.300 0.000 0.000 1.241 32 D CA -0.533 53.467 54.000 -0.000 0.000 0.784 32 D CB 1.126 41.926 40.800 -0.001 0.000 1.521 32 D HN 0.257 nan 8.370 nan 0.000 0.461 33 E N 2.573 122.773 120.200 0.001 0.000 2.146 33 E HA 0.486 4.835 4.350 -0.001 0.000 0.282 33 E C -2.242 174.359 176.600 0.001 0.000 0.989 33 E CA -1.969 54.432 56.400 0.001 0.000 0.799 33 E CB 1.020 30.721 29.700 0.002 0.000 1.088 33 E HN 0.130 nan 8.360 nan 0.000 0.397 34 P HA 0.037 nan 4.420 nan 0.000 0.267 34 P C -0.998 176.303 177.300 0.001 0.000 1.205 34 P CA 0.265 63.365 63.100 0.000 0.000 0.765 34 P CB 0.440 32.140 31.700 0.000 0.000 0.828 35 R N 1.846 122.347 120.500 0.001 0.000 2.829 35 R HA 0.563 4.902 4.340 -0.001 0.000 0.267 35 R C -1.224 175.077 176.300 0.002 0.000 1.051 35 R CA -1.046 55.056 56.100 0.002 0.000 0.927 35 R CB 0.640 30.942 30.300 0.003 0.000 1.292 35 R HN 0.137 nan 8.270 nan 0.000 0.445 36 I N 2.245 122.817 120.570 0.003 0.000 2.325 36 I HA 0.237 4.406 4.170 -0.001 0.000 0.291 36 I C 0.242 176.361 176.117 0.003 0.000 1.019 36 I CA -0.762 60.540 61.300 0.003 0.000 1.302 36 I CB 1.194 39.197 38.000 0.006 0.000 1.401 36 I HN 0.268 nan 8.210 nan 0.000 0.485 37 L N 6.205 127.428 121.223 0.001 0.000 2.464 37 L HA 0.250 4.589 4.340 -0.001 0.000 0.264 37 L C 0.464 177.336 176.870 0.003 0.000 1.199 37 L CA -0.391 54.449 54.840 0.001 0.000 0.818 37 L CB 0.244 42.301 42.059 -0.003 0.000 1.102 37 L HN 0.568 nan 8.230 nan 0.000 0.473 38 E N 0.836 121.039 120.200 0.005 0.000 2.266 38 E HA 0.430 4.779 4.350 -0.001 0.000 0.277 38 E C -0.384 176.217 176.600 0.002 0.000 1.018 38 E CA -0.732 55.673 56.400 0.008 0.000 0.840 38 E CB 1.555 31.263 29.700 0.012 0.000 1.082 38 E HN 0.663 nan 8.360 nan 0.000 0.395 39 A N 4.224 127.044 122.820 0.000 0.000 2.425 39 A HA 0.256 4.576 4.320 -0.001 0.000 0.242 39 A C -2.067 175.515 177.584 -0.003 0.000 1.077 39 A CA -1.072 50.959 52.037 -0.009 0.000 0.781 39 A CB -0.373 18.618 19.000 -0.015 0.000 1.020 39 A HN 0.359 nan 8.150 nan 0.000 0.494 40 P HA 0.252 nan 4.420 nan 0.000 0.270 40 P C -0.006 177.294 177.300 0.001 0.000 1.223 40 P CA 0.224 63.321 63.100 -0.006 0.000 0.785 40 P CB 0.308 32.000 31.700 -0.013 0.000 0.923 41 A N 3.657 126.482 122.820 0.009 0.000 2.561 41 A HA 0.219 4.538 4.320 -0.001 0.000 0.234 41 A C -1.896 175.697 177.584 0.016 0.000 1.055 41 A CA -0.608 51.440 52.037 0.018 0.000 0.756 41 A CB -1.655 17.357 19.000 0.020 0.000 0.986 41 A HN 0.412 nan 8.150 nan 0.000 0.505 42 P HA 0.224 nan 4.420 nan 0.000 0.265 42 P C -0.827 176.489 177.300 0.026 0.000 1.193 42 P CA 0.274 63.394 63.100 0.032 0.000 0.765 42 P CB 0.622 32.360 31.700 0.063 0.000 0.823 43 D N 0.904 121.316 120.400 0.019 0.000 2.732 43 D HA 0.425 5.064 4.640 -0.001 0.000 0.292 43 D C 0.702 177.023 176.300 0.034 0.000 1.135 43 D CA -0.929 53.086 54.000 0.025 0.000 1.071 43 D CB 0.036 40.846 40.800 0.018 0.000 1.457 43 D HN 0.134 nan 8.370 nan 0.000 0.547 44 A N -0.560 122.284 122.820 0.040 0.000 2.019 44 A HA -0.123 4.196 4.320 -0.001 0.000 0.219 44 A C 1.728 179.360 177.584 0.080 0.000 1.164 44 A CA 1.040 53.110 52.037 0.055 0.000 0.644 44 A CB -0.560 18.470 19.000 0.049 0.000 0.805 44 A HN 0.448 nan 8.150 nan 0.000 0.449 45 R N -0.896 119.646 120.500 0.069 0.000 2.359 45 R HA 0.113 4.452 4.340 -0.001 0.000 0.231 45 R C 0.595 176.934 176.300 0.065 0.000 0.913 45 R CA -0.277 55.886 56.100 0.106 0.000 1.075 45 R CB 0.008 30.355 30.300 0.078 0.000 1.087 45 R HN 0.412 nan 8.270 nan 0.000 0.515 46 R N 1.548 122.045 120.500 -0.004 0.000 2.491 46 R HA 0.172 4.511 4.340 -0.001 0.000 0.283 46 R C -0.901 175.287 176.300 -0.186 0.000 1.072 46 R CA 0.175 56.199 56.100 -0.126 0.000 1.048 46 R CB 0.913 31.120 30.300 -0.155 0.000 0.983 46 R HN -0.103 nan 8.270 nan 0.000 0.450 47 V N 5.659 125.353 119.914 -0.367 0.000 2.888 47 V HA 0.455 4.574 4.120 -0.001 0.000 0.309 47 V C -1.852 173.974 176.094 -0.447 0.000 1.114 47 V CA -0.703 61.352 62.300 -0.410 0.000 0.940 47 V CB 1.941 33.275 31.823 -0.816 0.000 1.021 47 V HN 0.760 nan 8.190 nan 0.000 0.426 48 Y N 3.980 124.186 120.300 -0.157 0.000 2.352 48 Y HA 0.716 5.265 4.550 -0.002 0.000 0.339 48 Y C 0.029 175.888 175.900 -0.068 0.000 0.992 48 Y CA -0.755 57.293 58.100 -0.086 0.000 1.100 48 Y CB 2.246 40.666 38.460 -0.066 0.000 1.192 48 Y HN 0.430 nan 8.280 nan 0.000 0.458 49 V N 3.849 123.836 119.914 0.122 0.000 2.409 49 V HA 0.345 4.465 4.120 -0.001 0.000 0.291 49 V C -0.791 175.415 176.094 0.187 0.000 1.020 49 V CA -1.059 61.306 62.300 0.109 0.000 0.848 49 V CB 1.430 33.274 31.823 0.035 0.000 0.990 49 V HN 0.740 nan 8.190 nan 0.000 0.430 50 N N 2.633 121.410 118.700 0.128 0.000 2.456 50 N HA 0.432 5.171 4.740 -0.001 0.000 0.288 50 N C -0.910 174.647 175.510 0.079 0.000 1.059 50 N CA -0.500 52.613 53.050 0.106 0.000 0.946 50 N CB 1.377 39.909 38.487 0.075 0.000 1.150 50 N HN 0.678 nan 8.380 nan 0.000 0.479 51 D N 2.174 122.624 120.400 0.083 0.000 2.477 51 D HA 0.335 4.974 4.640 -0.001 0.000 0.239 51 D C -2.068 174.219 176.300 -0.021 0.000 1.102 51 D CA -2.294 51.728 54.000 0.036 0.000 0.901 51 D CB 1.166 42.061 40.800 0.160 0.000 1.026 51 D HN 0.268 nan 8.370 nan 0.000 0.515 52 P HA 0.053 nan 4.420 nan 0.000 0.228 52 P C 0.254 177.468 177.300 -0.144 0.000 1.151 52 P CA 0.818 63.845 63.100 -0.123 0.000 0.770 52 P CB 0.118 31.698 31.700 -0.201 0.000 0.786 53 A N -0.990 121.703 122.820 -0.211 0.000 2.822 53 A HA -0.248 4.071 4.320 -0.001 0.000 0.287 53 A C 0.229 177.705 177.584 -0.181 0.000 1.479 53 A CA 0.900 52.841 52.037 -0.160 0.000 0.779 53 A CB -2.893 16.119 19.000 0.019 0.000 1.022 53 A HN 0.455 nan 8.150 nan 0.000 0.532 54 H N -3.141 115.783 119.070 -0.243 0.000 2.713 54 H HA -0.234 4.321 4.556 -0.001 0.000 0.311 54 H C 0.575 175.723 175.328 -0.301 0.000 1.175 54 H CA 1.753 57.552 56.048 -0.416 0.000 1.143 54 H CB -2.105 27.527 29.762 -0.218 0.000 1.434 54 H HN 1.636 nan 8.280 nan 0.000 0.418 55 F N -4.312 115.683 119.950 0.076 0.000 2.737 55 F HA -0.202 4.324 4.527 -0.002 0.000 0.288 55 F C 1.396 177.361 175.800 0.275 0.000 0.708 55 F CA 0.054 58.162 58.000 0.180 0.000 1.483 55 F CB -1.849 37.273 39.000 0.203 0.000 1.745 55 F HN 0.550 nan 8.300 nan 0.000 0.354 56 A N 0.343 123.327 122.820 0.274 0.000 2.386 56 A HA 0.662 4.981 4.320 -0.001 0.000 0.246 56 A C 1.499 179.250 177.584 0.280 0.000 1.089 56 A CA 0.334 52.478 52.037 0.180 0.000 0.790 56 A CB 0.313 19.338 19.000 0.042 0.000 1.042 56 A HN 0.966 nan 8.150 nan 0.000 0.497 57 A N 0.401 123.300 122.820 0.131 0.000 2.066 57 A HA 0.337 4.656 4.320 -0.001 0.000 0.218 57 A C 0.990 178.702 177.584 0.212 0.000 1.157 57 A CA 1.626 53.725 52.037 0.103 0.000 0.670 57 A CB -0.866 18.106 19.000 -0.047 0.000 0.804 57 A HN 2.028 nan 8.150 nan 0.000 0.453 58 V N -2.918 117.086 119.914 0.151 0.000 2.876 58 V HA 0.847 4.966 4.120 -0.001 0.000 0.312 58 V C -0.593 175.565 176.094 0.108 0.000 1.085 58 V CA 0.101 62.479 62.300 0.130 0.000 0.945 58 V CB 1.601 33.481 31.823 0.096 0.000 1.017 58 V HN 0.577 nan 8.190 nan 0.000 0.428 59 T N 1.427 116.035 114.554 0.089 0.000 2.778 59 T HA 0.773 5.122 4.350 -0.001 0.000 0.293 59 T C -0.944 173.770 174.700 0.023 0.000 1.144 59 T CA -0.815 61.325 62.100 0.067 0.000 1.010 59 T CB 2.163 71.060 68.868 0.048 0.000 1.325 59 T HN 0.924 nan 8.240 nan 0.000 0.515 60 Q N -0.166 119.622 119.800 -0.020 0.000 2.379 60 Q HA 0.515 4.854 4.340 -0.001 0.000 0.278 60 Q C -1.595 174.281 176.000 -0.206 0.000 1.068 60 Q CA -0.796 54.903 55.803 -0.174 0.000 0.816 60 Q CB 3.149 31.686 28.738 -0.335 0.000 1.387 60 Q HN 0.750 nan 8.270 nan 0.000 0.413 61 Q N 1.727 121.347 119.800 -0.300 0.000 2.353 61 Q HA 0.535 4.875 4.340 -0.001 0.000 0.268 61 Q C -1.655 174.116 176.000 -0.382 0.000 1.045 61 Q CA -0.508 55.188 55.803 -0.177 0.000 0.811 61 Q CB 1.078 29.777 28.738 -0.066 0.000 1.305 61 Q HN 0.495 nan 8.270 nan 0.000 0.447 62 F N 2.265 122.198 119.950 -0.029 0.000 2.436 62 F HA 0.427 4.953 4.527 -0.002 0.000 0.340 62 F C -0.295 175.446 175.800 -0.099 0.000 1.113 62 F CA -0.804 57.154 58.000 -0.071 0.000 1.022 62 F CB 1.698 40.641 39.000 -0.095 0.000 1.128 62 F HN 0.210 nan 8.300 nan 0.000 0.466 63 V N 5.387 125.292 119.914 -0.016 0.000 2.394 63 V HA 0.463 4.583 4.120 -0.001 0.000 0.282 63 V C -0.026 175.948 176.094 -0.200 0.000 1.031 63 V CA -0.606 61.556 62.300 -0.229 0.000 0.881 63 V CB 1.347 33.043 31.823 -0.212 0.000 0.982 63 V HN 0.576 nan 8.190 nan 0.000 0.451 64 I N 3.269 123.666 120.570 -0.288 0.000 2.647 64 I HA 0.379 4.548 4.170 -0.001 0.000 0.295 64 I C -0.794 175.212 176.117 -0.186 0.000 1.078 64 I CA -0.569 60.619 61.300 -0.187 0.000 1.048 64 I CB 2.416 40.315 38.000 -0.168 0.000 1.239 64 I HN 0.535 nan 8.210 nan 0.000 0.421 65 D N 4.367 124.700 120.400 -0.112 0.000 2.380 65 D HA 0.205 4.844 4.640 -0.001 0.000 0.230 65 D C 1.135 177.419 176.300 -0.027 0.000 1.154 65 D CA -0.181 53.776 54.000 -0.071 0.000 0.859 65 D CB 1.641 42.410 40.800 -0.051 0.000 1.045 65 D HN 0.683 nan 8.370 nan 0.000 0.495 66 G N 3.524 112.338 108.800 0.022 0.000 2.448 66 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.219 66 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.219 66 G C 1.289 176.242 174.900 0.088 0.000 1.127 66 G CA 0.573 45.759 45.100 0.145 0.000 0.766 66 G HN 0.509 nan 8.290 nan 0.000 0.552 67 E N 0.951 121.178 120.200 0.045 0.000 2.046 67 E HA 0.108 4.457 4.350 -0.001 0.000 0.190 67 E C 2.596 179.196 176.600 0.001 0.000 0.982 67 E CA 1.364 57.774 56.400 0.017 0.000 0.800 67 E CB -0.464 29.242 29.700 0.010 0.000 0.756 67 E HN 0.260 nan 8.360 nan 0.000 0.449 68 A N -0.549 122.267 122.820 -0.006 0.000 2.132 68 A HA 0.327 4.646 4.320 -0.001 0.000 0.213 68 A C 1.610 179.181 177.584 -0.022 0.000 1.154 68 A CA 0.843 52.870 52.037 -0.016 0.000 0.753 68 A CB -0.595 18.393 19.000 -0.020 0.000 0.826 68 A HN 0.460 nan 8.150 nan 0.000 0.469 69 G N -0.453 108.337 108.800 -0.017 0.000 2.314 69 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.292 69 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.292 69 G C 0.038 174.907 174.900 -0.052 0.000 1.059 69 G CA 0.591 45.672 45.100 -0.033 0.000 0.982 69 G HN 0.835 nan 8.290 nan 0.000 0.505 70 R N -0.405 120.064 120.500 -0.051 0.000 2.621 70 R HA 0.572 4.911 4.340 -0.001 0.000 0.292 70 R C 0.096 176.362 176.300 -0.057 0.000 0.969 70 R CA -0.852 55.217 56.100 -0.051 0.000 0.887 70 R CB 1.647 31.923 30.300 -0.040 0.000 1.180 70 R HN 0.118 nan 8.270 nan 0.000 0.450 71 V N 6.875 126.761 119.914 -0.046 0.000 2.485 71 V HA 0.035 4.154 4.120 -0.001 0.000 0.287 71 V C 1.385 177.463 176.094 -0.028 0.000 1.022 71 V CA 0.332 62.620 62.300 -0.021 0.000 1.067 71 V CB 0.713 32.557 31.823 0.034 0.000 0.967 71 V HN 0.758 nan 8.190 nan 0.000 0.479 72 I N 1.915 122.456 120.570 -0.048 0.000 3.956 72 I HA 0.688 4.857 4.170 -0.001 0.000 0.333 72 I C 0.755 176.844 176.117 -0.047 0.000 1.302 72 I CA 0.287 61.557 61.300 -0.049 0.000 1.122 72 I CB 0.378 38.339 38.000 -0.065 0.000 1.013 72 I HN 0.646 nan 8.210 nan 0.000 0.405 73 G N 1.059 109.830 108.800 -0.048 0.000 2.328 73 G HA2 0.547 4.506 3.960 -0.001 0.000 0.295 73 G HA3 0.547 4.506 3.960 -0.001 0.000 0.295 73 G C -1.645 173.205 174.900 -0.085 0.000 1.413 73 G CA -0.809 44.255 45.100 -0.060 0.000 0.817 73 G HN 0.035 nan 8.290 nan 0.000 0.546 74 M N 0.115 119.632 119.600 -0.137 0.000 2.531 74 M HA 0.589 5.068 4.480 -0.001 0.000 0.286 74 M C -1.441 174.712 176.300 -0.245 0.000 1.232 74 M CA -0.836 54.320 55.300 -0.241 0.000 0.877 74 M CB 2.690 35.119 32.600 -0.285 0.000 1.726 74 M HN 0.330 nan 8.290 nan 0.000 0.463 75 I N 1.440 121.834 120.570 -0.294 0.000 2.534 75 I HA 0.338 4.507 4.170 -0.001 0.000 0.288 75 I C -1.095 174.911 176.117 -0.186 0.000 1.077 75 I CA -0.546 60.560 61.300 -0.324 0.000 1.051 75 I CB 2.016 39.697 38.000 -0.532 0.000 1.234 75 I HN 0.586 nan 8.210 nan 0.000 0.425 76 D N 4.103 124.459 120.400 -0.073 0.000 2.304 76 D HA 0.626 5.265 4.640 -0.001 0.000 0.247 76 D C 0.360 176.774 176.300 0.190 0.000 1.089 76 D CA 0.218 54.236 54.000 0.028 0.000 0.910 76 D CB 2.326 43.156 40.800 0.050 0.000 1.199 76 D HN 0.774 nan 8.370 nan 0.000 0.426 77 G N -0.894 107.995 108.800 0.147 0.000 2.725 77 G HA2 0.604 4.563 3.960 -0.001 0.000 0.288 77 G HA3 0.604 4.563 3.960 -0.001 0.000 0.288 77 G C -0.072 174.882 174.900 0.091 0.000 1.399 77 G CA -0.504 44.669 45.100 0.121 0.000 0.859 77 G HN 0.455 nan 8.290 nan 0.000 0.479 78 G N -0.990 107.839 108.800 0.050 0.000 3.075 78 G HA2 0.448 4.407 3.960 -0.001 0.000 0.156 78 G HA3 0.448 4.407 3.960 -0.001 0.000 0.156 78 G C -0.811 174.200 174.900 0.186 0.000 1.403 78 G CA -0.618 44.566 45.100 0.140 0.000 1.033 78 G HN 0.513 nan 8.290 nan 0.000 0.589 79 F N 1.542 121.528 119.950 0.060 0.000 2.471 79 F HA 0.424 4.950 4.527 -0.001 0.000 0.365 79 F C 0.988 176.800 175.800 0.020 0.000 1.095 79 F CA -1.178 56.876 58.000 0.091 0.000 1.174 79 F CB -0.377 38.761 39.000 0.229 0.000 1.105 79 F HN 0.259 nan 8.300 nan 0.000 0.535 80 L N 6.092 127.152 121.223 -0.272 0.000 3.854 80 L HA -0.213 4.126 4.340 -0.001 0.000 0.460 80 L C -2.148 174.577 176.870 -0.242 0.000 1.228 80 L CA -0.467 54.162 54.840 -0.352 0.000 0.760 80 L CB -1.609 40.063 42.059 -0.645 0.000 1.597 80 L HN 0.432 nan 8.230 nan 0.000 0.852 81 P HA 0.078 nan 4.420 nan 0.000 0.272 81 P C -0.430 176.792 177.300 -0.130 0.000 1.223 81 P CA -0.060 62.907 63.100 -0.221 0.000 0.784 81 P CB 0.583 32.102 31.700 -0.303 0.000 0.923 82 N N 2.035 120.668 118.700 -0.112 0.000 2.469 82 N HA 0.317 5.056 4.740 -0.001 0.000 0.253 82 N C -2.328 173.191 175.510 0.014 0.000 0.970 82 N CA -1.512 51.513 53.050 -0.042 0.000 0.940 82 N CB 0.756 39.225 38.487 -0.031 0.000 1.128 82 N HN 0.336 nan 8.380 nan 0.000 0.503 83 P HA 0.244 nan 4.420 nan 0.000 0.286 83 P C -1.000 176.263 177.300 -0.062 0.000 1.261 83 P CA -0.507 62.604 63.100 0.017 0.000 0.821 83 P CB 1.446 33.136 31.700 -0.017 0.000 1.013 84 V N -0.249 119.625 119.914 -0.067 0.000 3.007 84 V HA 0.719 4.838 4.120 -0.001 0.000 0.311 84 V C -0.884 175.089 176.094 -0.203 0.000 1.120 84 V CA -1.045 61.181 62.300 -0.125 0.000 0.980 84 V CB 2.126 33.925 31.823 -0.040 0.000 1.033 84 V HN 0.245 nan 8.190 nan 0.000 0.429 85 V N 2.311 122.070 119.914 -0.258 0.000 2.525 85 V HA 0.795 4.914 4.120 -0.001 0.000 0.299 85 V C 0.637 176.530 176.094 -0.334 0.000 1.034 85 V CA -0.118 61.966 62.300 -0.360 0.000 0.863 85 V CB 1.590 33.176 31.823 -0.396 0.000 0.999 85 V HN 1.465 nan 8.190 nan 0.000 0.423 86 A N 2.720 125.199 122.820 -0.570 0.000 2.477 86 A HA 0.251 4.570 4.320 -0.001 0.000 0.246 86 A C 1.073 178.514 177.584 -0.239 0.000 1.078 86 A CA -0.099 51.613 52.037 -0.541 0.000 0.770 86 A CB 0.038 18.419 19.000 -1.032 0.000 1.011 86 A HN 0.876 nan 8.150 nan 0.000 0.494 87 D N 1.127 121.463 120.400 -0.108 0.000 2.178 87 D HA -0.150 4.489 4.640 -0.001 0.000 0.201 87 D C 1.180 177.465 176.300 -0.025 0.000 0.980 87 D CA 1.846 55.826 54.000 -0.033 0.000 0.842 87 D CB -0.010 40.795 40.800 0.010 0.000 0.948 87 D HN 0.804 nan 8.370 nan 0.000 0.472 88 D N -1.030 119.349 120.400 -0.034 0.000 2.349 88 D HA 0.056 4.695 4.640 -0.001 0.000 0.224 88 D C 1.509 177.804 176.300 -0.007 0.000 1.029 88 D CA 0.900 54.897 54.000 -0.006 0.000 0.879 88 D CB -0.249 40.562 40.800 0.018 0.000 0.906 88 D HN 0.200 nan 8.370 nan 0.000 0.528 89 G N 0.114 108.891 108.800 -0.038 0.000 2.179 89 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.260 89 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.260 89 G C 1.187 176.093 174.900 0.010 0.000 0.977 89 G CA 0.928 46.026 45.100 -0.003 0.000 0.641 89 G HN 0.686 nan 8.290 nan 0.000 0.533 90 S N -0.664 115.035 115.700 -0.003 0.000 2.470 90 S HA 0.538 5.007 4.470 -0.001 0.000 0.225 90 S C 0.694 175.426 174.600 0.219 0.000 1.006 90 S CA 1.148 59.415 58.200 0.112 0.000 0.934 90 S CB -0.214 63.100 63.200 0.190 0.000 0.778 90 S HN 1.838 nan 8.310 nan 0.000 0.517 91 F N -0.064 119.917 119.950 0.053 0.000 2.773 91 F HA 0.774 5.300 4.527 -0.002 0.000 0.314 91 F C -1.247 174.574 175.800 0.035 0.000 1.160 91 F CA -1.878 56.155 58.000 0.056 0.000 0.920 91 F CB 1.033 40.060 39.000 0.045 0.000 1.323 91 F HN 0.105 nan 8.300 nan 0.000 0.457 92 I N 0.103 120.808 120.570 0.225 0.000 3.145 92 I HA 1.038 5.207 4.170 -0.001 0.000 0.313 92 I C -1.258 175.079 176.117 0.367 0.000 1.122 92 I CA -1.225 60.115 61.300 0.066 0.000 0.987 92 I CB 1.804 39.709 38.000 -0.158 0.000 1.236 92 I HN 1.225 nan 8.210 nan 0.000 0.453 93 A N 1.749 124.710 122.820 0.236 0.000 2.610 93 A HA 0.815 5.134 4.320 -0.001 0.000 0.291 93 A C -1.499 176.204 177.584 0.199 0.000 1.086 93 A CA -0.524 51.662 52.037 0.248 0.000 0.677 93 A CB 1.548 20.710 19.000 0.269 0.000 1.278 93 A HN 1.171 nan 8.150 nan 0.000 0.414 94 H N -1.162 118.010 119.070 0.170 0.000 3.008 94 H HA 0.835 5.390 4.556 -0.001 0.000 0.354 94 H C -0.636 174.656 175.328 -0.059 0.000 1.252 94 H CA -0.752 55.330 56.048 0.056 0.000 1.117 94 H CB 1.924 31.729 29.762 0.073 0.000 1.857 94 H HN 1.126 nan 8.280 nan 0.000 0.547 95 A N 1.694 124.511 122.820 -0.005 0.000 2.288 95 A HA 0.560 4.879 4.320 -0.001 0.000 0.320 95 A C -0.374 176.920 177.584 -0.483 0.000 1.217 95 A CA -0.251 51.629 52.037 -0.261 0.000 0.840 95 A CB 1.342 20.206 19.000 -0.227 0.000 1.179 95 A HN 0.681 nan 8.150 nan 0.000 0.504 96 S N 0.762 115.985 115.700 -0.795 0.000 2.685 96 S HA 0.876 5.345 4.470 -0.001 0.000 0.282 96 S C -0.817 173.321 174.600 -0.770 0.000 1.159 96 S CA -0.316 57.360 58.200 -0.874 0.000 0.833 96 S CB 1.888 64.392 63.200 -1.160 0.000 1.151 96 S HN 0.849 nan 8.310 nan 0.000 0.485 97 T N 1.552 115.904 114.554 -0.337 0.000 3.071 97 T HA 0.610 4.959 4.350 -0.001 0.000 0.311 97 T C -0.864 173.819 174.700 -0.027 0.000 1.042 97 T CA -0.477 61.530 62.100 -0.156 0.000 1.028 97 T CB 1.144 69.971 68.868 -0.070 0.000 1.068 97 T HN 1.030 nan 8.240 nan 0.000 0.451 98 V N 0.343 120.186 119.914 -0.118 0.000 3.126 98 V HA 0.960 5.079 4.120 -0.001 0.000 0.314 98 V C -1.543 174.214 176.094 -0.561 0.000 1.138 98 V CA -1.179 61.043 62.300 -0.131 0.000 1.034 98 V CB 1.857 33.703 31.823 0.039 0.000 1.075 98 V HN 0.728 nan 8.190 nan 0.000 0.442 99 F N -0.156 119.807 119.950 0.021 0.000 2.576 99 F HA 0.594 5.121 4.527 -0.000 0.000 0.313 99 F C 1.382 177.172 175.800 -0.016 0.000 1.078 99 F CA -0.115 57.880 58.000 -0.009 0.000 0.921 99 F CB 2.490 41.466 39.000 -0.040 0.000 1.232 99 F HN 0.660 nan 8.300 nan 0.000 0.459 100 S N 0.395 116.185 115.700 0.149 0.000 2.481 100 S HA 0.058 4.527 4.470 -0.001 0.000 0.231 100 S C 0.787 175.427 174.600 0.066 0.000 0.996 100 S CA 0.656 58.899 58.200 0.071 0.000 0.942 100 S CB -0.119 63.105 63.200 0.040 0.000 0.768 100 S HN 0.502 nan 8.310 nan 0.000 0.520 101 R N 0.414 120.965 120.500 0.084 0.000 2.653 101 R HA 0.496 4.835 4.340 -0.001 0.000 0.269 101 R C -0.139 176.175 176.300 0.024 0.000 1.603 101 R CA -0.138 55.984 56.100 0.037 0.000 1.671 101 R CB -0.528 29.780 30.300 0.012 0.000 1.300 101 R HN 0.344 nan 8.270 nan 0.000 0.668 102 I N -0.045 120.554 120.570 0.049 0.000 4.773 102 I HA -0.492 3.677 4.170 -0.001 0.000 0.042 102 I C 1.118 177.236 176.117 0.002 0.000 0.630 102 I CA 2.526 63.843 61.300 0.028 0.000 0.606 102 I CB -1.093 36.896 38.000 -0.018 0.000 0.584 102 I HN 0.473 nan 8.210 nan 0.000 0.154 103 A N 0.212 122.931 122.820 -0.168 0.000 2.600 103 A HA 0.575 4.894 4.320 -0.001 0.000 0.252 103 A C 0.656 177.841 177.584 -0.666 0.000 1.200 103 A CA 0.472 52.197 52.037 -0.520 0.000 0.981 103 A CB 0.249 18.983 19.000 -0.443 0.000 1.207 103 A HN 0.472 nan 8.150 nan 0.000 0.577 104 R N -0.909 119.412 120.500 -0.298 0.000 2.854 104 R HA 0.616 4.955 4.340 -0.001 0.000 0.271 104 R C 0.423 176.731 176.300 0.014 0.000 0.994 104 R CA 0.419 56.410 56.100 -0.181 0.000 0.945 104 R CB 1.375 31.603 30.300 -0.121 0.000 1.194 104 R HN 1.097 nan 8.270 nan 0.000 0.476 105 G N 1.601 110.434 108.800 0.056 0.000 2.512 105 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.210 105 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.210 105 G C -1.046 173.955 174.900 0.168 0.000 1.295 105 G CA -0.128 45.027 45.100 0.092 0.000 0.934 105 G HN 0.803 nan 8.290 nan 0.000 0.554 106 E N 0.387 120.653 120.200 0.110 0.000 2.376 106 E HA 0.330 4.679 4.350 -0.001 0.000 0.266 106 E C 0.795 177.427 176.600 0.054 0.000 1.009 106 E CA -0.267 56.178 56.400 0.074 0.000 0.902 106 E CB 0.347 30.061 29.700 0.023 0.000 0.972 106 E HN 0.587 nan 8.360 nan 0.000 0.439 107 R N 2.895 123.392 120.500 -0.004 0.000 2.357 107 R HA 0.226 4.565 4.340 -0.001 0.000 0.296 107 R C -1.107 175.047 176.300 -0.243 0.000 1.052 107 R CA -0.153 55.776 56.100 -0.285 0.000 0.988 107 R CB 1.095 31.293 30.300 -0.171 0.000 1.025 107 R HN 0.410 nan 8.270 nan 0.000 0.469 108 T N 3.753 118.124 114.554 -0.305 0.000 2.840 108 T HA 0.232 4.582 4.350 -0.001 0.000 0.287 108 T C -1.321 173.329 174.700 -0.082 0.000 0.991 108 T CA -0.829 61.185 62.100 -0.143 0.000 0.964 108 T CB 1.378 70.193 68.868 -0.089 0.000 0.954 108 T HN 0.510 nan 8.240 nan 0.000 0.438 109 D N 2.463 122.806 120.400 -0.094 0.000 2.193 109 D HA 0.596 5.235 4.640 -0.001 0.000 0.249 109 D C -0.471 175.806 176.300 -0.039 0.000 1.034 109 D CA 0.016 53.931 54.000 -0.143 0.000 0.902 109 D CB 1.139 41.789 40.800 -0.251 0.000 1.182 109 D HN 0.624 nan 8.370 nan 0.000 0.436 110 Y N -1.959 118.221 120.300 -0.201 0.000 2.656 110 Y HA 0.641 5.190 4.550 -0.002 0.000 0.334 110 Y C -1.731 174.101 175.900 -0.113 0.000 1.179 110 Y CA -1.281 56.734 58.100 -0.142 0.000 1.050 110 Y CB 0.661 39.061 38.460 -0.100 0.000 1.308 110 Y HN 0.092 nan 8.280 nan 0.000 0.456 111 V N 2.173 122.088 119.914 0.003 0.000 2.495 111 V HA 0.442 4.561 4.120 -0.001 0.000 0.298 111 V C -0.704 175.448 176.094 0.097 0.000 1.031 111 V CA -0.754 61.545 62.300 -0.001 0.000 0.871 111 V CB 1.608 33.437 31.823 0.010 0.000 0.988 111 V HN 0.828 nan 8.190 nan 0.000 0.432 112 E N 3.008 123.265 120.200 0.094 0.000 2.207 112 E HA 0.676 5.025 4.350 -0.001 0.000 0.270 112 E C -1.396 174.932 176.600 -0.452 0.000 0.927 112 E CA -0.723 55.539 56.400 -0.230 0.000 0.799 112 E CB 2.744 32.164 29.700 -0.466 0.000 1.172 112 E HN 0.387 nan 8.360 nan 0.000 0.404 113 V N 2.931 122.528 119.914 -0.528 0.000 2.581 113 V HA 0.475 4.595 4.120 -0.001 0.000 0.303 113 V C -0.906 174.857 176.094 -0.551 0.000 1.041 113 V CA -0.646 61.440 62.300 -0.358 0.000 0.907 113 V CB 0.770 32.436 31.823 -0.262 0.000 0.994 113 V HN 0.513 nan 8.190 nan 0.000 0.442 114 F N 1.109 121.080 119.950 0.035 0.000 2.563 114 F HA 0.391 4.917 4.527 -0.002 0.000 0.316 114 F C 0.298 176.145 175.800 0.078 0.000 1.076 114 F CA -0.836 57.179 58.000 0.026 0.000 0.921 114 F CB 1.356 40.348 39.000 -0.013 0.000 1.209 114 F HN 0.451 nan 8.300 nan 0.000 0.462 115 D N 4.339 124.893 120.400 0.255 0.000 2.458 115 D HA 0.048 4.687 4.640 -0.001 0.000 0.243 115 D C -1.656 174.753 176.300 0.182 0.000 1.146 115 D CA -1.147 52.965 54.000 0.187 0.000 0.877 115 D CB 1.662 42.537 40.800 0.126 0.000 1.176 115 D HN 0.233 nan 8.370 nan 0.000 0.461 116 P HA -0.071 nan 4.420 nan 0.000 0.241 116 P C 1.198 178.555 177.300 0.095 0.000 1.191 116 P CA 0.328 63.513 63.100 0.140 0.000 0.771 116 P CB 0.428 32.210 31.700 0.137 0.000 0.929 117 V N -0.731 119.231 119.914 0.079 0.000 2.922 117 V HA 0.021 4.140 4.120 -0.001 0.000 0.242 117 V C 2.210 178.330 176.094 0.043 0.000 1.094 117 V CA 1.892 64.223 62.300 0.051 0.000 1.106 117 V CB -1.076 30.771 31.823 0.040 0.000 0.799 117 V HN 0.138 nan 8.190 nan 0.000 0.474 118 T N -1.483 113.104 114.554 0.055 0.000 3.067 118 T HA 0.154 4.503 4.350 -0.001 0.000 0.261 118 T C 1.324 176.057 174.700 0.054 0.000 1.110 118 T CA 0.786 62.915 62.100 0.049 0.000 1.113 118 T CB -0.495 68.406 68.868 0.054 0.000 0.917 118 T HN 0.709 nan 8.240 nan 0.000 0.499 119 L N -0.509 120.759 121.223 0.074 0.000 4.367 119 L HA -0.149 4.190 4.340 -0.001 0.000 0.424 119 L C 0.043 177.020 176.870 0.179 0.000 1.152 119 L CA 0.025 54.909 54.840 0.073 0.000 0.974 119 L CB -2.214 39.818 42.059 -0.045 0.000 2.012 119 L HN 0.407 nan 8.230 nan 0.000 0.922 120 L N 1.511 122.842 121.223 0.180 0.000 2.417 120 L HA 0.368 4.707 4.340 -0.001 0.000 0.268 120 L C -1.540 175.477 176.870 0.246 0.000 1.158 120 L CA -1.678 53.273 54.840 0.187 0.000 0.819 120 L CB 0.306 42.423 42.059 0.097 0.000 1.112 120 L HN -0.203 nan 8.230 nan 0.000 0.458 121 P HA 0.068 nan 4.420 nan 0.000 0.276 121 P C 0.186 177.430 177.300 -0.093 0.000 1.235 121 P CA -0.262 62.767 63.100 -0.118 0.000 0.772 121 P CB 0.971 32.562 31.700 -0.181 0.000 0.871 122 T N -0.380 114.088 114.554 -0.142 0.000 3.022 122 T HA 0.487 4.836 4.350 -0.001 0.000 0.250 122 T C 0.561 175.189 174.700 -0.120 0.000 1.060 122 T CA -0.044 62.001 62.100 -0.092 0.000 1.013 122 T CB 0.216 69.048 68.868 -0.059 0.000 0.982 122 T HN 0.529 nan 8.240 nan 0.000 0.508 123 A N 0.783 123.498 122.820 -0.175 0.000 2.520 123 A HA 0.639 4.958 4.320 -0.001 0.000 0.298 123 A C -1.939 175.560 177.584 -0.142 0.000 1.051 123 A CA -0.685 51.269 52.037 -0.138 0.000 0.690 123 A CB 1.727 20.648 19.000 -0.132 0.000 1.281 123 A HN 0.151 nan 8.150 nan 0.000 0.402 124 D N 2.339 122.691 120.400 -0.081 0.000 2.402 124 D HA 0.479 5.118 4.640 -0.001 0.000 0.252 124 D C -1.373 174.927 176.300 0.000 0.000 1.294 124 D CA 0.027 54.005 54.000 -0.036 0.000 0.948 124 D CB 0.740 41.499 40.800 -0.069 0.000 1.202 124 D HN 0.420 nan 8.370 nan 0.000 0.561 125 I N 2.745 123.341 120.570 0.044 0.000 2.354 125 I HA 0.220 4.389 4.170 -0.001 0.000 0.286 125 I C 0.619 176.779 176.117 0.072 0.000 1.007 125 I CA -0.775 60.556 61.300 0.050 0.000 1.167 125 I CB 1.732 39.767 38.000 0.057 0.000 1.320 125 I HN 0.209 nan 8.210 nan 0.000 0.458 126 E N 6.572 126.798 120.200 0.043 0.000 2.384 126 E HA 0.257 4.606 4.350 -0.001 0.000 0.266 126 E C -1.048 175.527 176.600 -0.041 0.000 1.012 126 E CA -0.314 56.093 56.400 0.012 0.000 0.901 126 E CB 0.822 30.510 29.700 -0.020 0.000 0.967 126 E HN 0.501 nan 8.360 nan 0.000 0.435 127 L N 7.633 128.781 121.223 -0.125 0.000 2.265 127 L HA 0.389 4.729 4.340 -0.001 0.000 0.289 127 L C -2.030 174.623 176.870 -0.361 0.000 1.033 127 L CA -2.242 52.417 54.840 -0.302 0.000 0.814 127 L CB 1.124 42.974 42.059 -0.349 0.000 1.203 127 L HN 0.432 nan 8.230 nan 0.000 0.423 128 P HA 0.093 nan 4.420 nan 0.000 0.275 128 P C -0.517 176.633 177.300 -0.251 0.000 1.228 128 P CA 0.027 62.934 63.100 -0.322 0.000 0.786 128 P CB 0.693 32.207 31.700 -0.309 0.000 0.927 129 D N 0.734 121.048 120.400 -0.143 0.000 2.907 129 D HA -0.189 4.450 4.640 -0.001 0.000 0.226 129 D C 0.127 176.384 176.300 -0.072 0.000 1.141 129 D CA 1.435 55.383 54.000 -0.087 0.000 0.779 129 D CB -1.957 38.802 40.800 -0.069 0.000 1.095 129 D HN 0.721 nan 8.370 nan 0.000 0.430 130 A N -0.964 121.798 122.820 -0.097 0.000 2.362 130 A HA -0.164 4.155 4.320 -0.001 0.000 0.290 130 A C -1.020 176.541 177.584 -0.039 0.000 1.441 130 A CA 0.969 52.960 52.037 -0.078 0.000 0.743 130 A CB -0.822 18.158 19.000 -0.033 0.000 1.125 130 A HN 0.318 nan 8.150 nan 0.000 0.378 131 P HA 0.064 nan 4.420 nan 0.000 0.267 131 P C 0.421 177.810 177.300 0.149 0.000 1.289 131 P CA 0.018 63.158 63.100 0.067 0.000 0.866 131 P CB 0.233 32.036 31.700 0.172 0.000 1.309 132 R N 0.242 120.738 120.500 -0.008 0.000 2.590 132 R HA 0.171 4.510 4.340 -0.001 0.000 0.274 132 R C 0.005 176.453 176.300 0.247 0.000 1.061 132 R CA -0.408 55.721 56.100 0.049 0.000 1.081 132 R CB 0.109 30.334 30.300 -0.124 0.000 0.984 132 R HN 0.013 nan 8.270 nan 0.000 0.448 133 F N 4.316 124.353 119.950 0.144 0.000 2.466 133 F HA 0.150 4.676 4.527 -0.002 0.000 0.363 133 F C -0.277 175.541 175.800 0.031 0.000 1.109 133 F CA -0.974 57.123 58.000 0.161 0.000 1.161 133 F CB 0.164 39.347 39.000 0.305 0.000 1.117 133 F HN 0.278 nan 8.300 nan 0.000 0.539 134 L N 8.001 129.238 121.223 0.024 0.000 2.295 134 L HA 0.497 4.836 4.340 -0.001 0.000 0.288 134 L C -0.375 176.148 176.870 -0.579 0.000 1.079 134 L CA -0.599 54.087 54.840 -0.256 0.000 0.830 134 L CB 0.752 42.797 42.059 -0.022 0.000 1.200 134 L HN 0.429 nan 8.230 nan 0.000 0.438 135 V N 2.417 121.902 119.914 -0.715 0.000 3.048 135 V HA 0.618 4.737 4.120 -0.001 0.000 0.303 135 V C 0.334 176.165 176.094 -0.438 0.000 1.214 135 V CA -0.431 61.393 62.300 -0.792 0.000 0.984 135 V CB 2.274 33.181 31.823 -1.527 0.000 1.054 135 V HN 0.737 nan 8.190 nan 0.000 0.430 136 G N 3.147 111.896 108.800 -0.086 0.000 2.349 136 G HA2 0.225 4.184 3.960 -0.001 0.000 0.232 136 G HA3 0.225 4.184 3.960 -0.001 0.000 0.232 136 G C 0.172 175.148 174.900 0.126 0.000 1.240 136 G CA 0.535 45.773 45.100 0.230 0.000 0.870 136 G HN 0.985 nan 8.290 nan 0.000 0.528 137 T N 2.977 117.732 114.554 0.335 0.000 2.769 137 T HA 0.215 4.564 4.350 -0.001 0.000 0.293 137 T C -0.636 174.375 174.700 0.517 0.000 0.931 137 T CA 0.370 62.612 62.100 0.236 0.000 1.139 137 T CB 0.060 69.051 68.868 0.205 0.000 0.881 137 T HN 0.300 nan 8.240 nan 0.000 0.532 138 Y N 4.035 124.385 120.300 0.085 0.000 2.353 138 Y HA 0.321 4.870 4.550 -0.001 0.000 0.340 138 Y C -1.732 174.134 175.900 -0.057 0.000 0.972 138 Y CA -3.662 54.375 58.100 -0.106 0.000 1.157 138 Y CB 0.669 39.026 38.460 -0.171 0.000 1.157 138 Y HN 0.458 nan 8.280 nan 0.000 0.495 139 P HA -0.183 nan 4.420 nan 0.000 0.216 139 P C 0.480 177.541 177.300 -0.397 0.000 1.154 139 P CA 2.016 64.982 63.100 -0.224 0.000 0.865 139 P CB 0.098 31.609 31.700 -0.316 0.000 0.789 140 W N -2.192 119.193 121.300 0.141 0.000 3.391 140 W HA 0.204 4.864 4.660 -0.001 0.000 0.372 140 W C 1.379 177.893 176.519 -0.008 0.000 1.171 140 W CA -0.183 57.179 57.345 0.030 0.000 1.862 140 W CB -0.368 29.037 29.460 -0.090 0.000 1.048 140 W HN -0.109 nan 8.180 nan 0.000 0.726 141 M N -0.346 119.339 119.600 0.143 0.000 2.495 141 M HA 0.183 4.662 4.480 -0.001 0.000 0.237 141 M C -0.032 176.352 176.300 0.139 0.000 1.131 141 M CA 0.969 56.342 55.300 0.121 0.000 1.032 141 M CB -0.474 32.207 32.600 0.134 0.000 1.513 141 M HN -0.335 nan 8.290 nan 0.000 0.488 142 T N -0.118 114.476 114.554 0.068 0.000 3.105 142 T HA 0.488 4.837 4.350 -0.001 0.000 0.321 142 T C -0.877 173.836 174.700 0.021 0.000 1.135 142 T CA -0.501 61.647 62.100 0.081 0.000 1.053 142 T CB 2.257 71.177 68.868 0.086 0.000 1.133 142 T HN -0.011 nan 8.240 nan 0.000 0.463 143 S N 2.087 117.832 115.700 0.075 0.000 2.533 143 S HA 0.576 5.045 4.470 -0.001 0.000 0.271 143 S C -1.051 173.655 174.600 0.176 0.000 1.143 143 S CA -0.825 57.459 58.200 0.141 0.000 0.891 143 S CB 1.164 64.554 63.200 0.317 0.000 1.105 143 S HN 0.557 nan 8.310 nan 0.000 0.468 144 L N 2.544 123.899 121.223 0.219 0.000 2.357 144 L HA 0.509 4.848 4.340 -0.001 0.000 0.273 144 L C 1.023 178.057 176.870 0.273 0.000 1.080 144 L CA -0.663 54.317 54.840 0.234 0.000 0.803 144 L CB 1.251 43.439 42.059 0.215 0.000 1.174 144 L HN 0.813 nan 8.230 nan 0.000 0.443 145 T N -1.232 113.474 114.554 0.254 0.000 2.860 145 T HA 0.175 4.524 4.350 -0.001 0.000 0.299 145 T C -1.873 172.964 174.700 0.227 0.000 1.045 145 T CA -1.525 60.731 62.100 0.260 0.000 1.071 145 T CB 0.860 69.875 68.868 0.244 0.000 0.985 145 T HN 0.389 nan 8.240 nan 0.000 0.537 146 P HA -0.065 nan 4.420 nan 0.000 0.220 146 P C 0.947 178.331 177.300 0.141 0.000 1.148 146 P CA 1.030 64.229 63.100 0.165 0.000 0.803 146 P CB -0.133 31.652 31.700 0.142 0.000 0.782 147 D N -1.473 119.012 120.400 0.142 0.000 2.363 147 D HA 0.041 4.680 4.640 -0.001 0.000 0.220 147 D C 1.527 177.929 176.300 0.171 0.000 0.994 147 D CA 0.786 54.864 54.000 0.129 0.000 0.890 147 D CB -1.147 39.716 40.800 0.104 0.000 0.906 147 D HN 0.222 nan 8.370 nan 0.000 0.530 148 G N 0.604 109.535 108.800 0.219 0.000 2.189 148 G HA2 -0.410 3.549 3.960 -0.001 0.000 0.267 148 G HA3 -0.410 3.549 3.960 -0.001 0.000 0.267 148 G C 1.071 176.136 174.900 0.276 0.000 0.975 148 G CA 0.630 45.938 45.100 0.347 0.000 0.644 148 G HN 0.481 nan 8.290 nan 0.000 0.537 149 K N -0.351 120.150 120.400 0.168 0.000 2.361 149 K HA 0.149 4.468 4.320 -0.001 0.000 0.196 149 K C 0.482 177.136 176.600 0.090 0.000 1.039 149 K CA 1.095 57.437 56.287 0.092 0.000 1.001 149 K CB 0.323 32.870 32.500 0.078 0.000 0.795 149 K HN 0.363 nan 8.250 nan 0.000 0.495 150 T N 0.985 115.625 114.554 0.143 0.000 2.886 150 T HA 0.370 4.719 4.350 -0.001 0.000 0.292 150 T C -1.279 173.513 174.700 0.154 0.000 1.012 150 T CA -0.678 61.506 62.100 0.140 0.000 0.982 150 T CB 2.066 71.052 68.868 0.196 0.000 1.018 150 T HN 0.007 nan 8.240 nan 0.000 0.451 151 L N 3.999 125.297 121.223 0.125 0.000 2.317 151 L HA 0.716 5.055 4.340 -0.001 0.000 0.281 151 L C -1.483 175.438 176.870 0.084 0.000 1.024 151 L CA -0.833 54.090 54.840 0.138 0.000 0.810 151 L CB 0.645 42.800 42.059 0.160 0.000 1.240 151 L HN 0.571 nan 8.230 nan 0.000 0.427 152 L N 5.782 127.023 121.223 0.030 0.000 2.333 152 L HA 0.552 4.891 4.340 -0.001 0.000 0.280 152 L C -0.885 175.960 176.870 -0.040 0.000 1.004 152 L CA -0.608 54.139 54.840 -0.155 0.000 0.820 152 L CB 1.504 43.357 42.059 -0.344 0.000 1.247 152 L HN 0.565 nan 8.230 nan 0.000 0.416 153 F N 1.100 120.998 119.950 -0.086 0.000 2.563 153 F HA 0.567 5.093 4.527 -0.001 0.000 0.316 153 F C -0.982 174.833 175.800 0.026 0.000 1.076 153 F CA -1.282 56.716 58.000 -0.003 0.000 0.921 153 F CB 0.990 40.005 39.000 0.025 0.000 1.209 153 F HN 0.267 nan 8.300 nan 0.000 0.462 154 Y N 2.531 122.912 120.300 0.136 0.000 2.299 154 Y HA 0.369 4.918 4.550 -0.002 0.000 0.326 154 Y C -0.276 175.749 175.900 0.208 0.000 1.164 154 Y CA -0.228 57.906 58.100 0.057 0.000 1.234 154 Y CB 1.111 39.628 38.460 0.095 0.000 1.219 154 Y HN 0.859 nan 8.280 nan 0.000 0.497 155 Q N 5.044 124.563 119.800 -0.469 0.000 2.337 155 Q HA 0.244 4.584 4.340 -0.001 0.000 0.266 155 Q C -1.117 174.444 176.000 -0.731 0.000 1.023 155 Q CA -0.590 55.040 55.803 -0.289 0.000 0.829 155 Q CB 1.235 29.882 28.738 -0.151 0.000 1.306 155 Q HN 0.878 nan 8.270 nan 0.000 0.449 156 F N 1.584 121.206 119.950 -0.547 0.000 2.553 156 F HA 0.340 4.866 4.527 -0.002 0.000 0.282 156 F C 0.357 176.016 175.800 -0.234 0.000 1.089 156 F CA 0.113 57.790 58.000 -0.539 0.000 1.411 156 F CB 1.030 39.578 39.000 -0.753 0.000 1.125 156 F HN 0.460 nan 8.300 nan 0.000 0.610 157 S N 1.055 116.722 115.700 -0.055 0.000 2.454 157 S HA 0.410 4.879 4.470 -0.001 0.000 0.306 157 S C -1.770 172.792 174.600 -0.064 0.000 1.100 157 S CA -1.480 56.693 58.200 -0.045 0.000 1.087 157 S CB 1.208 64.498 63.200 0.149 0.000 1.019 157 S HN -0.012 nan 8.310 nan 0.000 0.480 158 P HA 0.271 nan 4.420 nan 0.000 0.225 158 P C -0.140 177.014 177.300 -0.243 0.000 1.156 158 P CA 0.458 63.483 63.100 -0.125 0.000 0.787 158 P CB 0.142 31.793 31.700 -0.082 0.000 0.802 159 A N -1.190 121.458 122.820 -0.287 0.000 2.587 159 A HA 0.622 4.941 4.320 -0.001 0.000 0.293 159 A C -3.014 174.313 177.584 -0.428 0.000 1.087 159 A CA -1.907 49.913 52.037 -0.362 0.000 0.692 159 A CB 0.374 19.236 19.000 -0.230 0.000 1.291 159 A HN -0.264 nan 8.150 nan 0.000 0.407 160 P HA 0.318 nan 4.420 nan 0.000 0.260 160 P C -0.275 176.763 177.300 -0.438 0.000 1.172 160 P CA 1.161 63.940 63.100 -0.535 0.000 0.760 160 P CB 0.584 32.063 31.700 -0.369 0.000 0.773 161 A N 2.855 125.328 122.820 -0.578 0.000 2.610 161 A HA 0.669 4.989 4.320 -0.001 0.000 0.291 161 A C -1.513 175.805 177.584 -0.443 0.000 1.086 161 A CA -0.490 51.320 52.037 -0.378 0.000 0.677 161 A CB 1.289 20.125 19.000 -0.274 0.000 1.278 161 A HN 0.243 nan 8.150 nan 0.000 0.414 162 V N 0.711 120.422 119.914 -0.338 0.000 2.531 162 V HA 0.674 4.793 4.120 -0.001 0.000 0.301 162 V C 0.701 176.427 176.094 -0.614 0.000 1.034 162 V CA -0.033 61.991 62.300 -0.460 0.000 0.865 162 V CB 1.706 33.309 31.823 -0.366 0.000 0.995 162 V HN 1.400 nan 8.190 nan 0.000 0.424 163 G N 3.082 111.216 108.800 -1.109 0.000 2.377 163 G HA2 0.574 4.533 3.960 -0.001 0.000 0.299 163 G HA3 0.574 4.533 3.960 -0.001 0.000 0.299 163 G C -0.879 173.551 174.900 -0.784 0.000 1.150 163 G CA -0.381 44.031 45.100 -1.146 0.000 0.847 163 G HN 0.563 nan 8.290 nan 0.000 0.501 164 V N 2.066 121.688 119.914 -0.486 0.000 2.384 164 V HA 0.409 4.528 4.120 -0.001 0.000 0.287 164 V C -0.253 175.709 176.094 -0.219 0.000 1.020 164 V CA -0.639 61.440 62.300 -0.370 0.000 0.850 164 V CB 1.471 33.039 31.823 -0.425 0.000 0.987 164 V HN 0.515 nan 8.190 nan 0.000 0.436 165 V N 3.349 123.254 119.914 -0.015 0.000 2.409 165 V HA 0.367 4.486 4.120 -0.001 0.000 0.291 165 V C -0.333 175.785 176.094 0.040 0.000 1.020 165 V CA -0.624 61.717 62.300 0.070 0.000 0.848 165 V CB 1.947 33.897 31.823 0.212 0.000 0.990 165 V HN 0.908 nan 8.190 nan 0.000 0.430 166 D N 4.148 124.556 120.400 0.014 0.000 2.352 166 D HA 0.229 4.868 4.640 -0.001 0.000 0.245 166 D C 0.953 177.254 176.300 0.001 0.000 1.224 166 D CA 0.053 54.063 54.000 0.017 0.000 0.879 166 D CB 1.023 41.827 40.800 0.006 0.000 1.057 166 D HN 0.446 nan 8.370 nan 0.000 0.491 167 L N 2.782 123.994 121.223 -0.018 0.000 2.093 167 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 167 L C 2.194 178.999 176.870 -0.108 0.000 1.085 167 L CA 0.821 55.607 54.840 -0.089 0.000 0.755 167 L CB -0.166 41.794 42.059 -0.166 0.000 0.904 167 L HN 0.521 nan 8.230 nan 0.000 0.435 168 E N 0.344 120.503 120.200 -0.070 0.000 2.046 168 E HA -0.154 4.196 4.350 -0.001 0.000 0.190 168 E C 2.011 178.587 176.600 -0.041 0.000 0.982 168 E CA 1.090 57.455 56.400 -0.059 0.000 0.800 168 E CB -0.101 29.584 29.700 -0.026 0.000 0.756 168 E HN 0.408 nan 8.360 nan 0.000 0.449 169 G N 0.169 108.956 108.800 -0.023 0.000 2.920 169 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.208 169 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.208 169 G C -0.139 174.753 174.900 -0.013 0.000 1.159 169 G CA 0.100 45.192 45.100 -0.014 0.000 0.784 169 G HN 0.219 nan 8.290 nan 0.000 0.535 170 K N -1.072 119.315 120.400 -0.023 0.000 3.257 170 K HA -0.108 4.211 4.320 -0.001 0.000 0.270 170 K C -0.061 176.549 176.600 0.016 0.000 0.984 170 K CA 0.304 56.581 56.287 -0.017 0.000 0.739 170 K CB -1.871 30.610 32.500 -0.032 0.000 1.351 170 K HN 0.639 nan 8.250 nan 0.000 0.463 171 A N 0.821 123.663 122.820 0.037 0.000 2.520 171 A HA 0.629 4.948 4.320 -0.001 0.000 0.298 171 A C -0.832 176.824 177.584 0.119 0.000 1.051 171 A CA -0.869 51.214 52.037 0.077 0.000 0.690 171 A CB 0.827 19.858 19.000 0.052 0.000 1.281 171 A HN 0.293 nan 8.150 nan 0.000 0.402 172 F N 2.309 122.282 119.950 0.038 0.000 2.578 172 F HA 0.322 4.849 4.527 -0.001 0.000 0.376 172 F C 1.032 176.860 175.800 0.047 0.000 1.085 172 F CA 0.473 58.510 58.000 0.062 0.000 1.260 172 F CB 0.800 39.843 39.000 0.071 0.000 1.095 172 F HN 0.591 nan 8.300 nan 0.000 0.573 173 K N 5.117 125.032 120.400 -0.809 0.000 2.161 173 K HA 0.176 4.495 4.320 -0.001 0.000 0.205 173 K C -0.125 176.022 176.600 -0.756 0.000 1.035 173 K CA 0.661 56.605 56.287 -0.571 0.000 0.970 173 K CB 0.044 32.364 32.500 -0.301 0.000 0.866 173 K HN 0.830 nan 8.250 nan 0.000 0.461 174 R N -0.970 118.894 120.500 -1.061 0.000 2.765 174 R HA 0.356 4.695 4.340 -0.001 0.000 0.277 174 R C -1.040 175.082 176.300 -0.297 0.000 1.028 174 R CA -0.754 55.073 56.100 -0.455 0.000 0.860 174 R CB 0.412 30.595 30.300 -0.195 0.000 1.270 174 R HN -0.230 nan 8.270 nan 0.000 0.484 175 M N 2.173 121.776 119.600 0.005 0.000 2.277 175 M HA 0.424 4.903 4.480 -0.001 0.000 0.350 175 M C -0.602 175.632 176.300 -0.111 0.000 1.180 175 M CA -0.741 54.534 55.300 -0.043 0.000 1.103 175 M CB 0.985 33.609 32.600 0.041 0.000 1.577 175 M HN 0.557 nan 8.290 nan 0.000 0.459 176 L N 2.619 123.744 121.223 -0.164 0.000 2.296 176 L HA 0.362 4.701 4.340 -0.001 0.000 0.286 176 L C -0.178 176.632 176.870 -0.101 0.000 1.023 176 L CA -0.950 53.824 54.840 -0.111 0.000 0.812 176 L CB 1.241 43.239 42.059 -0.102 0.000 1.223 176 L HN 0.501 nan 8.230 nan 0.000 0.421 177 D N 2.752 123.107 120.400 -0.075 0.000 2.390 177 D HA 0.347 4.986 4.640 -0.001 0.000 0.249 177 D C -0.043 176.219 176.300 -0.063 0.000 1.144 177 D CA 0.180 54.132 54.000 -0.079 0.000 0.880 177 D CB 1.781 42.545 40.800 -0.060 0.000 1.182 177 D HN 0.262 nan 8.370 nan 0.000 0.451 178 V N -0.124 119.747 119.914 -0.073 0.000 3.141 178 V HA 0.728 4.847 4.120 -0.001 0.000 0.312 178 V C -2.595 173.475 176.094 -0.040 0.000 1.157 178 V CA -1.858 60.416 62.300 -0.043 0.000 1.041 178 V CB 1.287 33.109 31.823 -0.002 0.000 1.071 178 V HN 0.280 nan 8.190 nan 0.000 0.441 179 P HA 0.248 nan 4.420 nan 0.000 0.302 179 P C -0.837 176.467 177.300 0.006 0.000 1.301 179 P CA -0.126 62.997 63.100 0.037 0.000 0.745 179 P CB 0.157 31.951 31.700 0.156 0.000 1.331 180 D N -0.230 120.194 120.400 0.041 0.000 2.498 180 D HA 0.138 4.777 4.640 -0.001 0.000 0.229 180 D C -0.967 175.387 176.300 0.091 0.000 1.188 180 D CA 0.061 54.087 54.000 0.043 0.000 1.028 180 D CB -1.215 39.654 40.800 0.114 0.000 1.087 180 D HN 0.151 nan 8.370 nan 0.000 0.510 181 c N 2.263 120.789 118.600 -0.123 0.000 3.154 181 c HA 0.658 5.227 4.570 -0.001 0.000 0.312 181 c C -1.049 172.823 174.090 -0.363 0.000 1.349 181 c CA -0.874 55.461 56.329 0.011 0.000 1.518 181 c CB 1.124 43.723 42.510 0.149 0.000 1.934 181 c HN 0.451 nan 8.230 nan 0.000 0.462 182 Y N -0.878 119.592 120.300 0.283 0.000 2.544 182 Y HA 0.596 5.145 4.550 -0.002 0.000 0.342 182 Y C -0.101 175.933 175.900 0.222 0.000 1.062 182 Y CA -0.158 57.978 58.100 0.061 0.000 1.023 182 Y CB 0.889 39.429 38.460 0.133 0.000 1.308 182 Y HN 1.003 nan 8.280 nan 0.000 0.457 183 H N 0.424 119.488 119.070 -0.010 0.000 4.796 183 H HA -0.056 4.500 4.556 -0.001 0.000 0.258 183 H C -1.660 173.534 175.328 -0.223 0.000 0.528 183 H CA 0.313 56.303 56.048 -0.098 0.000 0.683 183 H CB -0.318 29.423 29.762 -0.035 0.000 0.880 183 H HN 0.624 nan 8.280 nan 0.000 0.305 184 I N 1.797 122.117 120.570 -0.418 0.000 2.560 184 I HA 0.214 4.383 4.170 -0.001 0.000 0.283 184 I C -1.020 174.869 176.117 -0.380 0.000 1.115 184 I CA -0.173 60.979 61.300 -0.247 0.000 1.066 184 I CB 0.866 38.735 38.000 -0.218 0.000 1.221 184 I HN 0.241 nan 8.210 nan 0.000 0.450 185 F N 6.764 126.809 119.950 0.158 0.000 2.359 185 F HA 0.485 5.011 4.527 -0.001 0.000 0.370 185 F C -2.445 173.423 175.800 0.112 0.000 1.077 185 F CA -2.704 55.132 58.000 -0.274 0.000 1.136 185 F CB 0.715 39.190 39.000 -0.875 0.000 1.387 185 F HN 0.125 nan 8.300 nan 0.000 0.468 186 P HA 0.195 nan 4.420 nan 0.000 0.275 186 P C 0.703 178.289 177.300 0.477 0.000 1.227 186 P CA -0.023 63.370 63.100 0.488 0.000 0.781 186 P CB 1.123 33.078 31.700 0.426 0.000 0.906 187 T N -0.767 114.042 114.554 0.425 0.000 2.975 187 T HA 0.635 4.984 4.350 -0.001 0.000 0.261 187 T C 0.342 175.184 174.700 0.237 0.000 0.984 187 T CA -0.048 62.255 62.100 0.337 0.000 0.911 187 T CB 0.228 69.312 68.868 0.361 0.000 1.127 187 T HN 0.477 nan 8.240 nan 0.000 0.514 188 A N 1.263 124.219 122.820 0.226 0.000 2.564 188 A HA 0.723 5.042 4.320 -0.001 0.000 0.291 188 A C -2.549 175.115 177.584 0.135 0.000 1.102 188 A CA -1.287 50.835 52.037 0.141 0.000 0.660 188 A CB 0.347 19.401 19.000 0.089 0.000 1.283 188 A HN -0.106 nan 8.150 nan 0.000 0.430 189 P HA -0.064 nan 4.420 nan 0.000 0.221 189 P C 0.125 177.401 177.300 -0.040 0.000 1.145 189 P CA 2.031 65.165 63.100 0.057 0.000 0.795 189 P CB 0.122 31.830 31.700 0.014 0.000 0.775 190 D N -3.543 116.744 120.400 -0.189 0.000 2.620 190 D HA 0.092 4.731 4.640 -0.001 0.000 0.260 190 D C -0.525 175.526 176.300 -0.415 0.000 1.367 190 D CA -0.210 53.362 54.000 -0.713 0.000 0.805 190 D CB -0.307 40.128 40.800 -0.607 0.000 1.096 190 D HN -0.123 nan 8.370 nan 0.000 0.488 191 T N 0.588 115.194 114.554 0.086 0.000 3.032 191 T HA 0.573 4.922 4.350 -0.001 0.000 0.312 191 T C -0.932 173.981 174.700 0.355 0.000 1.078 191 T CA -0.745 61.425 62.100 0.118 0.000 1.028 191 T CB 1.281 70.155 68.868 0.011 0.000 1.091 191 T HN 0.175 nan 8.240 nan 0.000 0.457 192 F N 0.376 120.414 119.950 0.147 0.000 2.692 192 F HA 0.937 5.463 4.527 -0.001 0.000 0.320 192 F C -1.862 173.950 175.800 0.020 0.000 1.123 192 F CA -1.882 56.236 58.000 0.196 0.000 0.961 192 F CB 0.889 40.009 39.000 0.200 0.000 1.383 192 F HN 0.364 nan 8.300 nan 0.000 0.483 193 F N 1.377 121.532 119.950 0.343 0.000 2.507 193 F HA 0.796 5.322 4.527 -0.002 0.000 0.327 193 F C -0.032 176.064 175.800 0.493 0.000 1.068 193 F CA -0.921 57.248 58.000 0.280 0.000 0.965 193 F CB 2.154 41.279 39.000 0.208 0.000 1.192 193 F HN 0.329 nan 8.300 nan 0.000 0.476 194 M N 1.294 121.232 119.600 0.563 0.000 2.658 194 M HA 0.318 4.797 4.480 -0.001 0.000 0.295 194 M C -1.155 175.546 176.300 0.667 0.000 1.248 194 M CA -0.772 54.880 55.300 0.587 0.000 0.843 194 M CB 2.796 35.640 32.600 0.407 0.000 1.749 194 M HN 0.577 nan 8.290 nan 0.000 0.464 195 H N 0.783 120.244 119.070 0.651 0.000 2.488 195 H HA 0.455 5.010 4.556 -0.002 0.000 0.322 195 H C -1.591 174.025 175.328 0.479 0.000 1.078 195 H CA -0.617 55.763 56.048 0.554 0.000 1.260 195 H CB 1.050 31.127 29.762 0.525 0.000 1.425 195 H HN 0.758 nan 8.280 nan 0.000 0.471 196 c N 5.075 123.663 118.600 -0.020 0.000 2.364 196 c HA 0.238 4.807 4.570 -0.001 0.000 0.356 196 c C 2.106 176.084 174.090 -0.187 0.000 1.201 196 c CA -0.794 55.544 56.329 0.014 0.000 2.227 196 c CB 1.136 43.755 42.510 0.181 0.000 2.387 196 c HN 0.961 nan 8.230 nan 0.000 0.546 197 R N 1.256 121.777 120.500 0.035 0.000 2.127 197 R HA -0.163 4.176 4.340 -0.001 0.000 0.238 197 R C 1.400 177.665 176.300 -0.060 0.000 1.134 197 R CA 2.388 58.496 56.100 0.015 0.000 0.975 197 R CB -0.310 30.064 30.300 0.123 0.000 0.865 197 R HN 0.947 nan 8.270 nan 0.000 0.447 198 D N -1.460 118.903 120.400 -0.062 0.000 2.378 198 D HA 0.000 4.639 4.640 -0.001 0.000 0.227 198 D C 1.093 177.263 176.300 -0.217 0.000 1.012 198 D CA 1.011 54.946 54.000 -0.108 0.000 0.905 198 D CB 0.008 40.755 40.800 -0.089 0.000 0.895 198 D HN 0.412 nan 8.370 nan 0.000 0.532 199 G N -0.344 108.278 108.800 -0.298 0.000 2.175 199 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.244 199 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.244 199 G C 0.394 175.082 174.900 -0.355 0.000 0.982 199 G CA 0.473 45.171 45.100 -0.670 0.000 0.641 199 G HN 0.858 nan 8.290 nan 0.000 0.527 200 S N -0.405 115.300 115.700 0.009 0.000 2.707 200 S HA 0.840 5.309 4.470 -0.001 0.000 0.276 200 S C 0.232 175.153 174.600 0.535 0.000 1.179 200 S CA -0.915 57.478 58.200 0.321 0.000 0.992 200 S CB 1.914 65.288 63.200 0.291 0.000 1.030 200 S HN 0.616 nan 8.310 nan 0.000 0.554 201 L N 0.879 122.457 121.223 0.591 0.000 2.334 201 L HA 0.712 5.051 4.340 -0.001 0.000 0.275 201 L C 0.212 177.272 176.870 0.317 0.000 1.036 201 L CA -0.960 54.191 54.840 0.519 0.000 0.807 201 L CB 1.520 43.892 42.059 0.523 0.000 1.231 201 L HN 0.910 nan 8.230 nan 0.000 0.438 202 A N 2.635 125.548 122.820 0.154 0.000 2.317 202 A HA 0.479 4.798 4.320 -0.001 0.000 0.327 202 A C -0.614 176.781 177.584 -0.316 0.000 1.178 202 A CA -0.621 51.284 52.037 -0.220 0.000 0.817 202 A CB 1.088 19.860 19.000 -0.380 0.000 1.189 202 A HN 0.702 nan 8.150 nan 0.000 0.489 203 K N 2.383 122.441 120.400 -0.569 0.000 2.234 203 K HA 0.538 4.857 4.320 -0.001 0.000 0.277 203 K C -1.415 174.750 176.600 -0.724 0.000 1.038 203 K CA -0.293 55.354 56.287 -1.066 0.000 0.888 203 K CB 0.891 32.832 32.500 -0.931 0.000 1.091 203 K HN 0.404 nan 8.250 nan 0.000 0.467 204 V N 3.643 123.035 119.914 -0.871 0.000 2.350 204 V HA 0.470 4.589 4.120 -0.001 0.000 0.285 204 V C -0.367 175.402 176.094 -0.543 0.000 1.014 204 V CA -0.941 60.896 62.300 -0.771 0.000 0.831 204 V CB 1.064 32.135 31.823 -1.254 0.000 1.000 204 V HN 0.884 nan 8.190 nan 0.000 0.433 205 A N 6.261 128.917 122.820 -0.274 0.000 2.271 205 A HA 0.919 5.238 4.320 -0.001 0.000 0.317 205 A C -0.681 176.884 177.584 -0.030 0.000 1.245 205 A CA -0.391 51.553 52.037 -0.156 0.000 0.857 205 A CB 0.434 19.338 19.000 -0.161 0.000 1.175 205 A HN 0.876 nan 8.150 nan 0.000 0.512 206 F N 1.207 121.112 119.950 -0.075 0.000 2.618 206 F HA 0.966 5.493 4.527 -0.001 0.000 0.332 206 F C 0.330 176.120 175.800 -0.016 0.000 1.061 206 F CA -0.836 57.144 58.000 -0.033 0.000 0.974 206 F CB 1.196 40.212 39.000 0.027 0.000 1.310 206 F HN 0.708 nan 8.300 nan 0.000 0.491 207 G N -0.511 108.385 108.800 0.159 0.000 2.949 207 G HA2 0.432 4.391 3.960 -0.001 0.000 0.285 207 G HA3 0.432 4.391 3.960 -0.001 0.000 0.285 207 G C -0.221 174.786 174.900 0.177 0.000 1.395 207 G CA -0.407 44.730 45.100 0.061 0.000 0.901 207 G HN 0.712 nan 8.290 nan 0.000 0.519 208 T N -0.606 114.000 114.554 0.087 0.000 2.833 208 T HA 0.042 4.391 4.350 -0.001 0.000 0.269 208 T C 0.597 175.319 174.700 0.036 0.000 1.054 208 T CA 1.920 64.057 62.100 0.061 0.000 1.135 208 T CB -0.056 68.829 68.868 0.027 0.000 0.869 208 T HN 0.509 nan 8.240 nan 0.000 0.466 209 E N -1.022 119.198 120.200 0.033 0.000 2.413 209 E HA 0.535 4.884 4.350 -0.001 0.000 0.277 209 E C -0.590 176.023 176.600 0.022 0.000 0.958 209 E CA 0.109 56.521 56.400 0.020 0.000 0.779 209 E CB 1.645 31.351 29.700 0.010 0.000 1.278 209 E HN 0.300 nan 8.360 nan 0.000 0.456 210 G N 1.138 109.946 108.800 0.015 0.000 2.674 210 G HA2 -0.006 3.953 3.960 -0.001 0.000 0.686 210 G HA3 -0.006 3.953 3.960 -0.001 0.000 0.686 210 G C -0.620 174.287 174.900 0.011 0.000 1.195 210 G CA -0.482 44.623 45.100 0.009 0.000 0.776 210 G HN 0.608 nan 8.290 nan 0.000 0.654 211 T N 4.240 118.795 114.554 0.002 0.000 2.891 211 T HA 0.364 4.713 4.350 -0.001 0.000 0.296 211 T C -1.104 173.596 174.700 0.001 0.000 1.025 211 T CA 0.650 62.748 62.100 -0.003 0.000 1.149 211 T CB 0.517 69.380 68.868 -0.009 0.000 1.007 211 T HN 0.659 nan 8.240 nan 0.000 0.528 212 P HA 0.183 nan 4.420 nan 0.000 0.274 212 P C -0.309 176.967 177.300 -0.039 0.000 1.231 212 P CA -0.627 62.477 63.100 0.007 0.000 0.790 212 P CB 0.507 32.222 31.700 0.025 0.000 0.951 213 E N 1.855 122.020 120.200 -0.059 0.000 2.257 213 E HA 0.397 4.746 4.350 -0.001 0.000 0.278 213 E C -0.643 175.877 176.600 -0.133 0.000 1.049 213 E CA -0.350 56.002 56.400 -0.080 0.000 0.876 213 E CB 0.068 29.725 29.700 -0.072 0.000 1.035 213 E HN 0.304 nan 8.360 nan 0.000 0.419 214 I N 3.811 124.307 120.570 -0.122 0.000 2.389 214 I HA 0.268 4.437 4.170 -0.001 0.000 0.288 214 I C -0.695 175.328 176.117 -0.158 0.000 0.999 214 I CA -0.779 60.409 61.300 -0.187 0.000 1.129 214 I CB 2.104 40.007 38.000 -0.162 0.000 1.288 214 I HN 0.578 nan 8.210 nan 0.000 0.444 215 T N 4.031 118.447 114.554 -0.229 0.000 2.879 215 T HA 0.411 4.760 4.350 -0.001 0.000 0.290 215 T C -0.498 174.103 174.700 -0.165 0.000 0.993 215 T CA -0.619 61.412 62.100 -0.115 0.000 0.975 215 T CB 1.038 69.854 68.868 -0.085 0.000 0.981 215 T HN 0.366 nan 8.240 nan 0.000 0.439 216 H N 1.694 120.779 119.070 0.024 0.000 2.472 216 H HA 0.423 4.978 4.556 -0.002 0.000 0.335 216 H C 0.925 176.327 175.328 0.123 0.000 1.136 216 H CA -0.378 55.715 56.048 0.076 0.000 1.264 216 H CB 1.602 31.402 29.762 0.063 0.000 1.486 216 H HN 0.716 nan 8.280 nan 0.000 0.517 217 T N -0.046 114.693 114.554 0.307 0.000 2.770 217 T HA 0.067 4.416 4.350 -0.001 0.000 0.281 217 T C 0.533 175.404 174.700 0.285 0.000 0.981 217 T CA -1.077 61.225 62.100 0.336 0.000 0.955 217 T CB 0.820 69.994 68.868 0.510 0.000 1.060 217 T HN 0.409 nan 8.240 nan 0.000 0.531 218 E N 0.455 120.804 120.200 0.250 0.000 2.437 218 E HA 0.121 4.470 4.350 -0.001 0.000 0.263 218 E C 0.055 176.692 176.600 0.061 0.000 1.030 218 E CA -0.075 56.383 56.400 0.096 0.000 0.934 218 E CB 0.462 30.163 29.700 0.002 0.000 0.943 218 E HN 0.499 nan 8.360 nan 0.000 0.444 219 V N 4.194 124.092 119.914 -0.027 0.000 2.694 219 V HA -0.148 3.971 4.120 -0.001 0.000 0.306 219 V C 0.916 176.890 176.094 -0.200 0.000 1.054 219 V CA 0.931 63.157 62.300 -0.125 0.000 1.161 219 V CB -0.460 31.249 31.823 -0.190 0.000 0.916 219 V HN 0.656 nan 8.190 nan 0.000 0.490 220 F N 2.603 122.298 119.950 -0.425 0.000 2.746 220 F HA 0.478 5.004 4.527 -0.001 0.000 0.320 220 F C 0.233 175.884 175.800 -0.249 0.000 1.097 220 F CA -0.503 57.207 58.000 -0.484 0.000 1.195 220 F CB -0.347 38.184 39.000 -0.780 0.000 1.056 220 F HN 0.658 nan 8.300 nan 0.000 0.562 221 H N -1.472 117.207 119.070 -0.652 0.000 3.046 221 H HA 0.710 5.265 4.556 -0.001 0.000 0.363 221 H C -3.345 171.767 175.328 -0.361 0.000 1.203 221 H CA -2.417 53.330 56.048 -0.502 0.000 1.169 221 H CB 0.777 30.065 29.762 -0.790 0.000 1.851 221 H HN -0.177 nan 8.280 nan 0.000 0.546 222 P HA 0.062 nan 4.420 nan 0.000 0.272 222 P C 0.154 177.368 177.300 -0.143 0.000 1.240 222 P CA -0.339 62.660 63.100 -0.168 0.000 0.791 222 P CB 1.270 32.893 31.700 -0.128 0.000 0.978 223 E N 0.522 120.630 120.200 -0.153 0.000 2.338 223 E HA -0.125 4.224 4.350 -0.001 0.000 0.197 223 E C 0.536 177.027 176.600 -0.181 0.000 1.007 223 E CA 1.025 57.360 56.400 -0.108 0.000 0.849 223 E CB -0.111 29.551 29.700 -0.063 0.000 0.774 223 E HN 0.587 nan 8.360 nan 0.000 0.506 224 D N 0.177 120.395 120.400 -0.305 0.000 2.424 224 D HA 0.044 4.683 4.640 -0.001 0.000 0.220 224 D C 0.036 175.780 176.300 -0.925 0.000 1.150 224 D CA -0.098 53.538 54.000 -0.606 0.000 0.831 224 D CB -0.125 40.523 40.800 -0.252 0.000 0.981 224 D HN -0.036 nan 8.370 nan 0.000 0.500 225 E N 0.093 119.873 120.200 -0.701 0.000 2.174 225 E HA 0.316 4.665 4.350 -0.001 0.000 0.282 225 E C -0.969 175.146 176.600 -0.808 0.000 0.992 225 E CA -0.679 55.343 56.400 -0.630 0.000 0.803 225 E CB 0.985 30.518 29.700 -0.279 0.000 1.090 225 E HN -0.008 nan 8.360 nan 0.000 0.396 226 F N 3.166 122.861 119.950 -0.426 0.000 2.411 226 F HA 0.294 4.821 4.527 -0.001 0.000 0.352 226 F C -0.208 175.249 175.800 -0.570 0.000 1.123 226 F CA -0.872 56.748 58.000 -0.632 0.000 1.044 226 F CB 0.523 38.803 39.000 -1.200 0.000 1.135 226 F HN 0.243 nan 8.300 nan 0.000 0.461 227 L N 5.064 126.083 121.223 -0.341 0.000 2.265 227 L HA 0.426 4.765 4.340 -0.001 0.000 0.288 227 L C 0.365 177.304 176.870 0.116 0.000 1.058 227 L CA -0.437 54.194 54.840 -0.350 0.000 0.809 227 L CB 0.640 41.993 42.059 -1.176 0.000 1.179 227 L HN 0.495 nan 8.230 nan 0.000 0.429 228 I N -0.125 120.692 120.570 0.413 0.000 2.938 228 I HA 0.123 4.292 4.170 -0.001 0.000 0.285 228 I C 0.949 177.282 176.117 0.359 0.000 1.182 228 I CA -0.112 61.437 61.300 0.415 0.000 1.388 228 I CB 0.466 38.684 38.000 0.363 0.000 1.390 228 I HN 0.522 nan 8.210 nan 0.000 0.600 229 N N 1.404 120.163 118.700 0.098 0.000 2.459 229 N HA -0.092 4.647 4.740 -0.001 0.000 0.181 229 N C -0.018 175.119 175.510 -0.622 0.000 1.046 229 N CA 1.049 53.912 53.050 -0.313 0.000 0.904 229 N CB -0.422 37.491 38.487 -0.957 0.000 0.964 229 N HN 0.672 nan 8.380 nan 0.000 0.444 230 H N 0.136 119.050 119.070 -0.260 0.000 2.375 230 H HA 0.271 4.826 4.556 -0.002 0.000 0.230 230 H C -2.110 173.103 175.328 -0.192 0.000 1.511 230 H CA -1.691 54.241 56.048 -0.193 0.000 1.215 230 H CB 0.357 29.998 29.762 -0.201 0.000 1.580 230 H HN 0.173 nan 8.280 nan 0.000 0.537 231 P HA 0.183 nan 4.420 nan 0.000 0.272 231 P C -0.200 176.992 177.300 -0.180 0.000 1.240 231 P CA -0.370 62.345 63.100 -0.642 0.000 0.791 231 P CB 1.311 31.973 31.700 -1.730 0.000 0.978 232 A N 1.769 124.522 122.820 -0.113 0.000 2.306 232 A HA 0.536 4.856 4.320 -0.001 0.000 0.314 232 A C -1.322 176.210 177.584 -0.087 0.000 1.164 232 A CA -0.345 51.738 52.037 0.077 0.000 0.822 232 A CB 0.324 19.422 19.000 0.163 0.000 1.130 232 A HN 0.596 nan 8.150 nan 0.000 0.496 233 Y N 1.708 121.890 120.300 -0.197 0.000 2.386 233 Y HA 0.541 5.090 4.550 -0.001 0.000 0.334 233 Y C -0.354 175.443 175.900 -0.173 0.000 1.002 233 Y CA -0.849 56.953 58.100 -0.497 0.000 1.068 233 Y CB 2.018 39.780 38.460 -1.163 0.000 1.203 233 Y HN 0.603 nan 8.280 nan 0.000 0.443 234 S N 5.786 121.107 115.700 -0.632 0.000 2.461 234 S HA 0.193 4.662 4.470 -0.001 0.000 0.322 234 S C 0.752 174.869 174.600 -0.805 0.000 1.063 234 S CA -0.453 57.499 58.200 -0.413 0.000 1.120 234 S CB 1.121 64.311 63.200 -0.017 0.000 0.968 234 S HN 1.009 nan 8.310 nan 0.000 0.467 235 Q N 4.220 123.568 119.800 -0.755 0.000 2.124 235 Q HA -0.074 4.265 4.340 -0.001 0.000 0.202 235 Q C 1.526 177.404 176.000 -0.203 0.000 0.977 235 Q CA 1.482 56.969 55.803 -0.527 0.000 0.850 235 Q CB 0.019 28.705 28.738 -0.087 0.000 0.901 235 Q HN 0.713 nan 8.270 nan 0.000 0.429 236 K N -0.676 119.650 120.400 -0.125 0.000 2.217 236 K HA -0.033 4.286 4.320 -0.001 0.000 0.202 236 K C 1.753 178.322 176.600 -0.051 0.000 1.051 236 K CA 0.891 57.148 56.287 -0.050 0.000 0.952 236 K CB 0.112 32.598 32.500 -0.023 0.000 0.736 236 K HN 0.187 nan 8.250 nan 0.000 0.453 237 A N 0.388 123.163 122.820 -0.075 0.000 2.132 237 A HA 0.168 4.487 4.320 -0.001 0.000 0.213 237 A C 1.412 178.937 177.584 -0.097 0.000 1.154 237 A CA 0.820 52.832 52.037 -0.041 0.000 0.753 237 A CB -0.181 18.861 19.000 0.069 0.000 0.826 237 A HN 0.363 nan 8.150 nan 0.000 0.469 238 G N -0.776 107.924 108.800 -0.166 0.000 2.198 238 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.260 238 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.260 238 G C 0.189 175.002 174.900 -0.145 0.000 1.025 238 G CA 0.647 45.678 45.100 -0.116 0.000 0.769 238 G HN 0.739 nan 8.290 nan 0.000 0.507 239 R N -0.467 119.879 120.500 -0.256 0.000 2.295 239 R HA 0.711 5.050 4.340 -0.001 0.000 0.324 239 R C -0.560 175.554 176.300 -0.310 0.000 0.968 239 R CA -1.101 54.800 56.100 -0.332 0.000 0.837 239 R CB 0.785 30.778 30.300 -0.513 0.000 1.133 239 R HN 0.351 nan 8.270 nan 0.000 0.450 240 L N 5.735 126.781 121.223 -0.294 0.000 2.280 240 L HA 0.512 4.851 4.340 -0.001 0.000 0.287 240 L C -1.423 175.258 176.870 -0.315 0.000 1.023 240 L CA -0.510 54.114 54.840 -0.359 0.000 0.819 240 L CB 1.777 43.489 42.059 -0.577 0.000 1.212 240 L HN 0.465 nan 8.230 nan 0.000 0.420 241 V N 5.518 125.253 119.914 -0.298 0.000 2.334 241 V HA 0.379 4.498 4.120 -0.001 0.000 0.281 241 V C -1.041 175.012 176.094 -0.068 0.000 1.016 241 V CA -0.496 61.710 62.300 -0.158 0.000 0.832 241 V CB 1.436 33.165 31.823 -0.158 0.000 0.999 241 V HN 0.762 nan 8.190 nan 0.000 0.439 242 W N 8.566 129.837 121.300 -0.048 0.000 2.466 242 W HA 0.499 5.158 4.660 -0.002 0.000 0.303 242 W C -3.002 173.554 176.519 0.061 0.000 0.999 242 W CA -2.797 54.536 57.345 -0.019 0.000 1.437 242 W CB 2.212 31.642 29.460 -0.051 0.000 1.274 242 W HN 0.405 nan 8.180 nan 0.000 0.417 243 P HA 0.221 nan 4.420 nan 0.000 0.276 243 P C 0.228 177.702 177.300 0.291 0.000 1.244 243 P CA 0.456 63.718 63.100 0.270 0.000 0.801 243 P CB 1.287 33.112 31.700 0.209 0.000 1.006 244 T N -1.640 113.019 114.554 0.174 0.000 2.910 244 T HA 0.261 4.610 4.350 -0.001 0.000 0.279 244 T C 0.786 175.625 174.700 0.232 0.000 0.989 244 T CA -0.194 61.978 62.100 0.120 0.000 0.968 244 T CB 0.093 68.965 68.868 0.007 0.000 1.135 244 T HN 0.151 nan 8.240 nan 0.000 0.562 245 Y N 0.993 121.326 120.300 0.055 0.000 2.384 245 Y HA -0.016 4.533 4.550 -0.001 0.000 0.289 245 Y C 2.955 178.858 175.900 0.004 0.000 1.152 245 Y CA 1.451 59.565 58.100 0.024 0.000 1.258 245 Y CB -1.327 37.117 38.460 -0.027 0.000 0.979 245 Y HN 0.899 nan 8.280 nan 0.000 0.549 246 T N -4.647 109.994 114.554 0.146 0.000 3.107 246 T HA 0.369 4.718 4.350 -0.001 0.000 0.249 246 T C 1.751 176.491 174.700 0.067 0.000 1.096 246 T CA 0.550 62.694 62.100 0.073 0.000 1.012 246 T CB -0.073 68.810 68.868 0.025 0.000 0.977 246 T HN 0.383 nan 8.240 nan 0.000 0.527 247 G N 1.599 110.450 108.800 0.085 0.000 2.157 247 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.248 247 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.248 247 G C -0.009 174.906 174.900 0.025 0.000 0.979 247 G CA 0.197 45.340 45.100 0.071 0.000 0.650 247 G HN 0.858 nan 8.290 nan 0.000 0.529 248 K N 0.439 120.835 120.400 -0.006 0.000 2.448 248 K HA 0.446 4.765 4.320 -0.001 0.000 0.278 248 K C 0.153 176.710 176.600 -0.070 0.000 1.009 248 K CA 0.055 56.300 56.287 -0.071 0.000 0.995 248 K CB 0.068 32.494 32.500 -0.123 0.000 0.917 248 K HN 0.280 nan 8.250 nan 0.000 0.481 249 I N 5.081 125.592 120.570 -0.099 0.000 2.410 249 I HA 0.169 4.338 4.170 -0.001 0.000 0.286 249 I C -0.227 175.843 176.117 -0.079 0.000 1.009 249 I CA -0.887 60.396 61.300 -0.028 0.000 1.111 249 I CB 1.354 39.366 38.000 0.019 0.000 1.262 249 I HN 0.609 nan 8.210 nan 0.000 0.443 250 H N 6.078 125.219 119.070 0.119 0.000 2.548 250 H HA 0.389 4.944 4.556 -0.001 0.000 0.331 250 H C -0.664 174.709 175.328 0.076 0.000 1.093 250 H CA -0.112 56.022 56.048 0.144 0.000 1.367 250 H CB 1.539 31.467 29.762 0.277 0.000 1.455 250 H HN 0.510 nan 8.280 nan 0.000 0.519 251 Q N 2.516 122.393 119.800 0.128 0.000 2.337 251 Q HA 0.403 4.742 4.340 -0.001 0.000 0.270 251 Q C -0.929 175.018 176.000 -0.089 0.000 1.043 251 Q CA -0.887 54.905 55.803 -0.018 0.000 0.794 251 Q CB 2.239 30.942 28.738 -0.058 0.000 1.281 251 Q HN 0.442 nan 8.270 nan 0.000 0.446 252 I N 1.455 121.887 120.570 -0.230 0.000 2.436 252 I HA 0.199 4.368 4.170 -0.001 0.000 0.289 252 I C -0.614 175.271 176.117 -0.386 0.000 1.010 252 I CA -0.596 60.453 61.300 -0.417 0.000 1.098 252 I CB 1.691 39.326 38.000 -0.608 0.000 1.266 252 I HN 0.408 nan 8.210 nan 0.000 0.434 253 D N 6.316 126.491 120.400 -0.375 0.000 2.359 253 D HA 0.355 4.994 4.640 -0.001 0.000 0.230 253 D C 0.065 176.156 176.300 -0.348 0.000 1.118 253 D CA -0.077 53.748 54.000 -0.291 0.000 0.844 253 D CB 0.950 41.624 40.800 -0.210 0.000 1.059 253 D HN 0.485 nan 8.370 nan 0.000 0.493 254 L N 2.895 123.924 121.223 -0.324 0.000 2.818 254 L HA 0.104 4.443 4.340 -0.001 0.000 0.243 254 L C 1.962 178.732 176.870 -0.166 0.000 1.185 254 L CA -0.131 54.497 54.840 -0.353 0.000 0.988 254 L CB 0.007 41.775 42.059 -0.484 0.000 1.292 254 L HN 0.349 nan 8.230 nan 0.000 0.519 255 S N -0.962 114.663 115.700 -0.124 0.000 2.447 255 S HA -0.150 4.319 4.470 -0.001 0.000 0.233 255 S C 2.013 176.591 174.600 -0.037 0.000 1.006 255 S CA 1.051 59.214 58.200 -0.062 0.000 0.957 255 S CB -0.279 62.887 63.200 -0.057 0.000 0.773 255 S HN 0.528 nan 8.310 nan 0.000 0.507 256 S N 0.152 115.822 115.700 -0.051 0.000 2.562 256 S HA 0.446 4.915 4.470 -0.001 0.000 0.221 256 S C 1.720 176.323 174.600 0.004 0.000 0.975 256 S CA 0.583 58.769 58.200 -0.024 0.000 0.918 256 S CB -0.537 62.642 63.200 -0.035 0.000 0.772 256 S HN 1.367 nan 8.310 nan 0.000 0.531 257 G N 0.688 109.498 108.800 0.018 0.000 2.268 257 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.240 257 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.240 257 G C -0.262 174.733 174.900 0.159 0.000 1.010 257 G CA 0.289 45.446 45.100 0.095 0.000 0.618 257 G HN 0.573 nan 8.290 nan 0.000 0.516 258 D N 0.812 121.250 120.400 0.063 0.000 2.272 258 D HA 0.611 5.250 4.640 -0.001 0.000 0.247 258 D C 0.530 176.750 176.300 -0.133 0.000 0.990 258 D CA 0.360 54.405 54.000 0.075 0.000 0.931 258 D CB 1.630 42.461 40.800 0.050 0.000 1.195 258 D HN 0.566 nan 8.370 nan 0.000 0.477 259 A N 1.591 124.302 122.820 -0.182 0.000 2.454 259 A HA 0.206 4.525 4.320 -0.001 0.000 0.260 259 A C 0.186 177.461 177.584 -0.516 0.000 1.106 259 A CA 0.125 51.857 52.037 -0.509 0.000 0.780 259 A CB 0.142 18.793 19.000 -0.581 0.000 1.044 259 A HN 0.460 nan 8.150 nan 0.000 0.498 260 K N 3.410 123.466 120.400 -0.573 0.000 2.413 260 K HA 0.522 4.841 4.320 -0.001 0.000 0.257 260 K C -1.688 174.603 176.600 -0.516 0.000 0.946 260 K CA -0.450 55.587 56.287 -0.418 0.000 0.823 260 K CB 0.632 33.006 32.500 -0.210 0.000 1.109 260 K HN 0.473 nan 8.250 nan 0.000 0.427 261 F N 4.774 124.662 119.950 -0.104 0.000 2.444 261 F HA 0.193 4.719 4.527 -0.002 0.000 0.360 261 F C 0.202 175.969 175.800 -0.056 0.000 1.106 261 F CA -0.720 57.220 58.000 -0.100 0.000 1.170 261 F CB 0.443 39.406 39.000 -0.062 0.000 1.113 261 F HN 0.273 nan 8.300 nan 0.000 0.521 262 L N 5.201 126.463 121.223 0.066 0.000 2.416 262 L HA 0.483 4.822 4.340 -0.001 0.000 0.262 262 L C -1.923 174.993 176.870 0.076 0.000 1.093 262 L CA -2.788 52.074 54.840 0.037 0.000 0.801 262 L CB -0.166 41.883 42.059 -0.017 0.000 1.191 262 L HN 0.351 nan 8.230 nan 0.000 0.459 263 P HA 0.199 nan 4.420 nan 0.000 0.265 263 P C -0.995 176.318 177.300 0.022 0.000 1.193 263 P CA -0.221 62.900 63.100 0.035 0.000 0.765 263 P CB 0.466 32.174 31.700 0.015 0.000 0.823 264 A N 2.929 125.755 122.820 0.009 0.000 2.351 264 A HA 0.531 4.850 4.320 -0.001 0.000 0.257 264 A C 0.166 177.719 177.584 -0.052 0.000 1.087 264 A CA -0.244 51.766 52.037 -0.046 0.000 0.798 264 A CB 0.153 19.076 19.000 -0.129 0.000 1.033 264 A HN 0.472 nan 8.150 nan 0.000 0.488 265 V N -1.136 118.741 119.914 -0.062 0.000 3.074 265 V HA 0.749 4.868 4.120 -0.001 0.000 0.314 265 V C -0.652 175.405 176.094 -0.061 0.000 1.117 265 V CA -0.975 61.295 62.300 -0.051 0.000 1.014 265 V CB 2.010 33.811 31.823 -0.037 0.000 1.057 265 V HN 0.767 nan 8.190 nan 0.000 0.438 266 E N 1.390 121.557 120.200 -0.054 0.000 2.145 266 E HA 0.598 4.947 4.350 -0.001 0.000 0.270 266 E C 0.694 177.265 176.600 -0.048 0.000 0.906 266 E CA -0.098 56.272 56.400 -0.051 0.000 0.761 266 E CB 1.919 31.589 29.700 -0.050 0.000 1.116 266 E HN 0.933 nan 8.360 nan 0.000 0.408 267 A N 4.137 126.937 122.820 -0.034 0.000 2.014 267 A HA 0.030 4.349 4.320 -0.001 0.000 0.218 267 A C 0.864 178.411 177.584 -0.061 0.000 1.163 267 A CA 0.817 52.832 52.037 -0.038 0.000 0.652 267 A CB 0.072 19.071 19.000 -0.001 0.000 0.808 267 A HN 0.497 nan 8.150 nan 0.000 0.449 268 L N -0.130 121.064 121.223 -0.048 0.000 2.330 268 L HA 0.404 4.744 4.340 -0.001 0.000 0.271 268 L C 0.748 177.567 176.870 -0.084 0.000 1.013 268 L CA -0.691 54.100 54.840 -0.081 0.000 0.816 268 L CB 1.899 43.945 42.059 -0.021 0.000 1.287 268 L HN 0.246 nan 8.230 nan 0.000 0.435 269 T N -3.295 111.184 114.554 -0.124 0.000 2.788 269 T HA 0.111 4.460 4.350 -0.001 0.000 0.287 269 T C 0.851 175.514 174.700 -0.062 0.000 1.007 269 T CA -0.436 61.606 62.100 -0.096 0.000 1.005 269 T CB 1.108 69.905 68.868 -0.118 0.000 1.012 269 T HN 0.712 nan 8.240 nan 0.000 0.530 270 E N 0.518 120.689 120.200 -0.047 0.000 2.085 270 E HA -0.168 4.182 4.350 -0.001 0.000 0.194 270 E C 2.411 179.001 176.600 -0.016 0.000 0.994 270 E CA 1.248 57.632 56.400 -0.027 0.000 0.801 270 E CB -0.474 29.210 29.700 -0.027 0.000 0.743 270 E HN 0.822 nan 8.360 nan 0.000 0.453 271 A N 1.056 123.859 122.820 -0.029 0.000 1.933 271 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 271 A C 1.880 179.469 177.584 0.008 0.000 1.175 271 A CA 1.609 53.636 52.037 -0.016 0.000 0.628 271 A CB -0.426 18.552 19.000 -0.035 0.000 0.814 271 A HN 0.235 nan 8.150 nan 0.000 0.444 272 E N -0.618 119.559 120.200 -0.038 0.000 2.051 272 E HA -0.172 4.177 4.350 -0.001 0.000 0.192 272 E C 2.363 179.080 176.600 0.196 0.000 0.991 272 E CA 1.064 57.465 56.400 0.001 0.000 0.799 272 E CB -0.155 29.375 29.700 -0.283 0.000 0.748 272 E HN 0.516 nan 8.360 nan 0.000 0.449 273 R N 0.319 120.876 120.500 0.094 0.000 2.083 273 R HA -0.125 4.215 4.340 -0.001 0.000 0.237 273 R C 2.365 178.710 176.300 0.075 0.000 1.137 273 R CA 1.186 57.340 56.100 0.091 0.000 0.951 273 R CB -0.345 29.978 30.300 0.039 0.000 0.851 273 R HN 0.116 nan 8.270 nan 0.000 0.434 274 A N 0.707 123.561 122.820 0.055 0.000 2.024 274 A HA -0.192 4.127 4.320 -0.001 0.000 0.220 274 A C 1.450 179.067 177.584 0.055 0.000 1.164 274 A CA 1.769 53.831 52.037 0.041 0.000 0.643 274 A CB -0.198 18.819 19.000 0.028 0.000 0.806 274 A HN 0.231 nan 8.150 nan 0.000 0.451 275 D N -2.297 118.166 120.400 0.105 0.000 2.368 275 D HA 0.330 4.970 4.640 -0.001 0.000 0.218 275 D C 1.062 177.391 176.300 0.050 0.000 1.112 275 D CA 0.888 54.951 54.000 0.105 0.000 0.834 275 D CB -0.099 40.808 40.800 0.179 0.000 0.953 275 D HN 0.485 nan 8.370 nan 0.000 0.505 276 G N 0.011 108.837 108.800 0.044 0.000 2.141 276 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.231 276 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.231 276 G C -0.124 174.715 174.900 -0.102 0.000 0.984 276 G CA -0.269 44.802 45.100 -0.047 0.000 0.660 276 G HN 0.189 nan 8.290 nan 0.000 0.525 277 W N 1.014 122.286 121.300 -0.048 0.000 2.303 277 W HA 0.689 5.349 4.660 -0.001 0.000 0.318 277 W C 1.108 177.609 176.519 -0.030 0.000 1.362 277 W CA -0.013 57.301 57.345 -0.051 0.000 1.234 277 W CB 0.452 29.864 29.460 -0.080 0.000 1.248 277 W HN 0.190 nan 8.180 nan 0.000 0.546 278 R N 4.017 124.607 120.500 0.151 0.000 2.707 278 R HA 0.383 4.722 4.340 -0.001 0.000 0.272 278 R C -2.536 173.846 176.300 0.137 0.000 1.011 278 R CA -2.130 54.037 56.100 0.110 0.000 0.893 278 R CB 1.932 32.251 30.300 0.033 0.000 1.233 278 R HN 0.107 nan 8.270 nan 0.000 0.464 279 P HA 0.226 nan 4.420 nan 0.000 0.272 279 P C -0.533 176.841 177.300 0.123 0.000 1.230 279 P CA -0.098 63.090 63.100 0.147 0.000 0.788 279 P CB 1.000 32.791 31.700 0.152 0.000 0.949 280 G N -1.370 107.509 108.800 0.133 0.000 2.616 280 G HA2 0.593 4.552 3.960 -0.001 0.000 0.294 280 G HA3 0.593 4.552 3.960 -0.001 0.000 0.294 280 G C -0.751 174.228 174.900 0.131 0.000 1.489 280 G CA 0.047 45.218 45.100 0.119 0.000 0.836 280 G HN 0.818 nan 8.290 nan 0.000 0.527 281 G N -0.538 108.346 108.800 0.140 0.000 2.240 281 G HA2 0.109 4.068 3.960 -0.001 0.000 0.199 281 G HA3 0.109 4.068 3.960 -0.001 0.000 0.199 281 G C 0.251 175.292 174.900 0.235 0.000 1.342 281 G CA 0.454 45.654 45.100 0.168 0.000 1.145 281 G HN 1.096 nan 8.290 nan 0.000 0.477 282 W N 0.300 121.553 121.300 -0.080 0.000 4.059 282 W HA 0.339 4.998 4.660 -0.001 0.000 0.200 282 W C 0.399 176.641 176.519 -0.461 0.000 1.818 282 W CA 0.502 57.671 57.345 -0.293 0.000 2.501 282 W CB 0.238 29.564 29.460 -0.224 0.000 1.455 282 W HN 0.447 nan 8.180 nan 0.000 0.604 283 Q N 2.505 122.242 119.800 -0.105 0.000 2.534 283 Q HA 0.009 4.348 4.340 -0.001 0.000 0.223 283 Q C 0.732 176.790 176.000 0.096 0.000 1.239 283 Q CA 0.229 56.024 55.803 -0.014 0.000 0.936 283 Q CB 0.879 29.703 28.738 0.143 0.000 1.457 283 Q HN 0.362 nan 8.270 nan 0.000 0.547 284 Q N 0.263 120.120 119.800 0.094 0.000 2.389 284 Q HA 0.059 4.398 4.340 -0.001 0.000 0.204 284 Q C 0.232 176.330 176.000 0.164 0.000 0.944 284 Q CA 0.368 56.253 55.803 0.138 0.000 0.908 284 Q CB 0.837 29.660 28.738 0.142 0.000 1.002 284 Q HN 0.317 nan 8.270 nan 0.000 0.493 285 V N -0.298 119.717 119.914 0.169 0.000 2.789 285 V HA 0.807 4.926 4.120 -0.001 0.000 0.311 285 V C -1.707 174.523 176.094 0.228 0.000 1.073 285 V CA -0.715 61.701 62.300 0.194 0.000 0.921 285 V CB 1.851 33.768 31.823 0.158 0.000 1.009 285 V HN 0.062 nan 8.190 nan 0.000 0.426 286 A N 4.995 127.991 122.820 0.295 0.000 2.413 286 A HA 0.879 5.198 4.320 -0.001 0.000 0.307 286 A C -2.004 175.864 177.584 0.474 0.000 1.087 286 A CA -0.558 51.670 52.037 0.319 0.000 0.750 286 A CB 1.774 20.884 19.000 0.184 0.000 1.296 286 A HN 1.300 nan 8.150 nan 0.000 0.423 287 Y N 1.534 121.990 120.300 0.260 0.000 2.406 287 Y HA 0.475 5.024 4.550 -0.001 0.000 0.340 287 Y C -0.674 175.390 175.900 0.274 0.000 0.975 287 Y CA -0.637 57.620 58.100 0.262 0.000 1.056 287 Y CB 1.410 39.944 38.460 0.123 0.000 1.210 287 Y HN 0.795 nan 8.280 nan 0.000 0.448 288 H N 7.165 126.019 119.070 -0.360 0.000 2.556 288 H HA 0.295 4.850 4.556 -0.001 0.000 0.310 288 H C 0.808 175.722 175.328 -0.691 0.000 1.057 288 H CA -0.058 55.807 56.048 -0.304 0.000 1.264 288 H CB 1.248 31.008 29.762 -0.004 0.000 1.404 288 H HN 1.030 nan 8.280 nan 0.000 0.462 289 R N 3.594 123.739 120.500 -0.591 0.000 2.062 289 R HA -0.096 4.243 4.340 -0.001 0.000 0.231 289 R C 1.789 178.008 176.300 -0.135 0.000 1.136 289 R CA 1.606 57.509 56.100 -0.329 0.000 0.948 289 R CB -0.137 30.099 30.300 -0.108 0.000 0.845 289 R HN 0.616 nan 8.270 nan 0.000 0.430 290 A N 0.677 123.439 122.820 -0.096 0.000 1.969 290 A HA -0.049 4.270 4.320 -0.001 0.000 0.218 290 A C 2.050 179.724 177.584 0.150 0.000 1.169 290 A CA 1.011 53.093 52.037 0.075 0.000 0.635 290 A CB -0.263 18.802 19.000 0.108 0.000 0.810 290 A HN 0.372 nan 8.150 nan 0.000 0.445 291 L N -1.320 120.084 121.223 0.302 0.000 2.509 291 L HA 0.050 4.390 4.340 -0.001 0.000 0.222 291 L C 0.478 177.353 176.870 0.009 0.000 1.123 291 L CA 0.405 55.294 54.840 0.081 0.000 0.856 291 L CB -0.217 41.804 42.059 -0.063 0.000 0.985 291 L HN 0.380 nan 8.230 nan 0.000 0.456 292 D N 1.529 121.905 120.400 -0.040 0.000 2.697 292 D HA -0.216 4.423 4.640 -0.001 0.000 0.238 292 D C 0.081 176.370 176.300 -0.019 0.000 1.152 292 D CA 0.686 54.671 54.000 -0.025 0.000 0.666 292 D CB -0.299 40.551 40.800 0.083 0.000 1.037 292 D HN 0.263 nan 8.370 nan 0.000 0.423 293 R N 0.276 120.692 120.500 -0.141 0.000 2.670 293 R HA 0.725 5.064 4.340 -0.001 0.000 0.289 293 R C -0.131 176.096 176.300 -0.122 0.000 0.965 293 R CA -0.970 55.037 56.100 -0.156 0.000 0.899 293 R CB 1.462 31.601 30.300 -0.268 0.000 1.173 293 R HN 0.133 nan 8.270 nan 0.000 0.456 294 I N 2.611 123.072 120.570 -0.182 0.000 2.441 294 I HA 0.360 4.529 4.170 -0.001 0.000 0.295 294 I C -1.120 174.820 176.117 -0.294 0.000 0.994 294 I CA -0.797 60.491 61.300 -0.020 0.000 1.144 294 I CB 1.371 39.425 38.000 0.091 0.000 1.314 294 I HN 0.442 nan 8.210 nan 0.000 0.445 295 Y N 6.199 126.557 120.300 0.096 0.000 2.350 295 Y HA 0.657 5.206 4.550 -0.001 0.000 0.338 295 Y C -0.671 175.283 175.900 0.090 0.000 0.961 295 Y CA -0.858 57.285 58.100 0.071 0.000 1.100 295 Y CB 1.788 40.306 38.460 0.098 0.000 1.179 295 Y HN 0.320 nan 8.280 nan 0.000 0.454 296 L N 3.971 125.302 121.223 0.181 0.000 2.410 296 L HA 0.586 4.925 4.340 -0.001 0.000 0.270 296 L C -1.555 175.418 176.870 0.171 0.000 0.983 296 L CA -0.595 54.342 54.840 0.162 0.000 0.822 296 L CB 1.693 43.819 42.059 0.113 0.000 1.285 296 L HN 0.659 nan 8.230 nan 0.000 0.409 297 L N 5.756 127.088 121.223 0.183 0.000 2.290 297 L HA 0.671 5.010 4.340 -0.001 0.000 0.284 297 L C -0.468 176.528 176.870 0.210 0.000 1.078 297 L CA -0.451 54.507 54.840 0.196 0.000 0.815 297 L CB 1.276 43.441 42.059 0.176 0.000 1.162 297 L HN 0.608 nan 8.230 nan 0.000 0.435 298 V N 0.296 120.376 119.914 0.277 0.000 3.159 298 V HA 0.778 4.897 4.120 -0.001 0.000 0.308 298 V C -1.299 175.053 176.094 0.430 0.000 1.190 298 V CA -0.622 61.871 62.300 0.321 0.000 1.037 298 V CB 2.415 34.442 31.823 0.340 0.000 1.060 298 V HN 0.727 nan 8.190 nan 0.000 0.437 299 D N 0.249 120.809 120.400 0.267 0.000 2.725 299 D HA 0.222 4.861 4.640 -0.001 0.000 0.292 299 D C -1.601 174.376 176.300 -0.538 0.000 1.288 299 D CA -0.458 53.508 54.000 -0.057 0.000 0.784 299 D CB 2.438 43.292 40.800 0.089 0.000 1.308 299 D HN 0.942 nan 8.370 nan 0.000 0.429 300 Q N 1.254 120.454 119.800 -0.999 0.000 2.288 300 Q HA 0.449 4.788 4.340 -0.001 0.000 0.258 300 Q C -0.607 175.182 176.000 -0.352 0.000 0.957 300 Q CA -0.057 55.251 55.803 -0.826 0.000 0.919 300 Q CB 0.596 28.784 28.738 -0.917 0.000 1.185 300 Q HN 0.434 nan 8.270 nan 0.000 0.408 301 R N 1.396 121.759 120.500 -0.228 0.000 2.664 301 R HA 0.292 4.631 4.340 -0.001 0.000 0.266 301 R C -1.577 174.675 176.300 -0.081 0.000 1.046 301 R CA -1.002 55.029 56.100 -0.116 0.000 0.885 301 R CB 0.473 30.732 30.300 -0.068 0.000 1.254 301 R HN 0.558 nan 8.270 nan 0.000 0.465 302 D N 0.888 121.262 120.400 -0.044 0.000 2.419 302 D HA -0.095 4.544 4.640 -0.001 0.000 0.236 302 D C 1.026 177.297 176.300 -0.049 0.000 1.165 302 D CA 0.330 54.317 54.000 -0.022 0.000 0.882 302 D CB 1.096 41.916 40.800 0.033 0.000 1.201 302 D HN 0.667 nan 8.370 nan 0.000 0.443 303 E N 1.554 121.679 120.200 -0.126 0.000 2.265 303 E HA -0.165 4.184 4.350 -0.001 0.000 0.196 303 E C 0.536 176.910 176.600 -0.376 0.000 0.996 303 E CA 0.728 56.939 56.400 -0.315 0.000 0.832 303 E CB -0.179 29.213 29.700 -0.513 0.000 0.756 303 E HN 0.644 nan 8.360 nan 0.000 0.491 304 W N 0.801 122.159 121.300 0.097 0.000 3.015 304 W HA 0.302 4.962 4.660 -0.001 0.000 0.429 304 W C 0.316 176.899 176.519 0.107 0.000 0.976 304 W CA -0.997 56.452 57.345 0.174 0.000 2.086 304 W CB 0.857 30.391 29.460 0.123 0.000 1.125 304 W HN -0.175 nan 8.180 nan 0.000 0.721 305 R N 0.731 121.343 120.500 0.187 0.000 2.791 305 R HA 0.079 4.418 4.340 -0.001 0.000 0.357 305 R C 1.350 177.652 176.300 0.005 0.000 1.173 305 R CA -0.052 56.079 56.100 0.051 0.000 1.060 305 R CB -1.079 29.243 30.300 0.037 0.000 1.406 305 R HN 0.506 nan 8.270 nan 0.000 0.580 306 H N -0.847 118.191 119.070 -0.054 0.000 2.559 306 H HA 0.124 4.679 4.556 -0.001 0.000 0.273 306 H C 0.206 175.529 175.328 -0.007 0.000 1.000 306 H CA 0.454 56.426 56.048 -0.127 0.000 1.195 306 H CB 0.366 29.864 29.762 -0.441 0.000 1.368 306 H HN 0.064 nan 8.280 nan 0.000 0.592 307 K N 1.492 121.810 120.400 -0.137 0.000 2.358 307 K HA 0.081 4.400 4.320 -0.001 0.000 0.200 307 K C 0.433 177.071 176.600 0.064 0.000 1.030 307 K CA 0.220 56.532 56.287 0.042 0.000 1.097 307 K CB 0.929 33.471 32.500 0.069 0.000 0.862 307 K HN 0.309 nan 8.250 nan 0.000 0.534 308 T N -0.683 113.888 114.554 0.028 0.000 2.860 308 T HA 0.410 4.759 4.350 -0.001 0.000 0.299 308 T C 0.648 175.385 174.700 0.063 0.000 1.045 308 T CA -0.845 61.277 62.100 0.037 0.000 1.071 308 T CB 1.313 70.193 68.868 0.020 0.000 0.985 308 T HN 0.113 nan 8.240 nan 0.000 0.537 309 A N 1.793 124.648 122.820 0.058 0.000 2.386 309 A HA 0.542 4.861 4.320 -0.001 0.000 0.246 309 A C 0.570 178.200 177.584 0.078 0.000 1.089 309 A CA -0.560 51.521 52.037 0.073 0.000 0.790 309 A CB -0.118 18.920 19.000 0.063 0.000 1.042 309 A HN 0.862 nan 8.150 nan 0.000 0.497 310 S N -0.990 114.768 115.700 0.098 0.000 2.568 310 S HA 0.538 5.007 4.470 -0.001 0.000 0.293 310 S C 0.457 175.110 174.600 0.087 0.000 1.089 310 S CA -0.687 57.588 58.200 0.126 0.000 0.945 310 S CB 1.735 65.042 63.200 0.178 0.000 1.077 310 S HN 0.624 nan 8.310 nan 0.000 0.485 311 R N 0.161 120.706 120.500 0.076 0.000 2.472 311 R HA 0.329 4.668 4.340 -0.001 0.000 0.279 311 R C -1.045 174.942 176.300 -0.522 0.000 0.953 311 R CA 0.280 56.236 56.100 -0.241 0.000 1.088 311 R CB 0.287 30.341 30.300 -0.410 0.000 1.197 311 R HN 0.406 nan 8.270 nan 0.000 0.536 312 F N -0.720 119.322 119.950 0.152 0.000 2.588 312 F HA 0.467 4.993 4.527 -0.002 0.000 0.314 312 F C -0.274 175.617 175.800 0.152 0.000 1.069 312 F CA -1.288 56.819 58.000 0.179 0.000 0.931 312 F CB 1.786 40.951 39.000 0.276 0.000 1.260 312 F HN -0.428 nan 8.300 nan 0.000 0.465 313 V N 2.875 122.974 119.914 0.310 0.000 2.588 313 V HA 0.596 4.715 4.120 -0.001 0.000 0.304 313 V C -0.731 175.385 176.094 0.035 0.000 1.042 313 V CA -0.966 61.457 62.300 0.205 0.000 0.877 313 V CB 1.997 33.971 31.823 0.251 0.000 0.996 313 V HN 0.637 nan 8.190 nan 0.000 0.425 314 V N 3.533 123.443 119.914 -0.005 0.000 2.539 314 V HA 0.818 4.938 4.120 -0.001 0.000 0.292 314 V C -0.357 175.614 176.094 -0.206 0.000 1.045 314 V CA -0.547 61.661 62.300 -0.152 0.000 0.945 314 V CB 1.553 33.301 31.823 -0.125 0.000 0.993 314 V HN 0.493 nan 8.190 nan 0.000 0.464 315 V N 5.913 125.621 119.914 -0.343 0.000 2.540 315 V HA 0.716 4.835 4.120 -0.001 0.000 0.302 315 V C -0.212 175.685 176.094 -0.330 0.000 1.035 315 V CA -0.408 61.632 62.300 -0.432 0.000 0.873 315 V CB 1.275 32.796 31.823 -0.505 0.000 0.992 315 V HN 1.055 nan 8.190 nan 0.000 0.428 316 L N 0.560 121.598 121.223 -0.307 0.000 2.424 316 L HA 0.756 5.096 4.340 -0.001 0.000 0.258 316 L C -0.646 176.125 176.870 -0.166 0.000 0.995 316 L CA -0.731 53.991 54.840 -0.196 0.000 0.821 316 L CB 2.102 44.080 42.059 -0.136 0.000 1.383 316 L HN 0.472 nan 8.230 nan 0.000 0.410 317 D N 1.409 121.742 120.400 -0.112 0.000 2.343 317 D HA 0.267 4.906 4.640 -0.001 0.000 0.255 317 D C 0.949 177.232 176.300 -0.029 0.000 1.187 317 D CA 0.546 54.504 54.000 -0.070 0.000 0.875 317 D CB 2.248 43.014 40.800 -0.056 0.000 1.136 317 D HN 0.813 nan 8.370 nan 0.000 0.469 318 A N 5.163 127.995 122.820 0.020 0.000 2.019 318 A HA -0.173 4.146 4.320 -0.001 0.000 0.219 318 A C 1.961 179.564 177.584 0.032 0.000 1.164 318 A CA 1.150 53.225 52.037 0.064 0.000 0.644 318 A CB -0.086 19.031 19.000 0.195 0.000 0.805 318 A HN 0.660 nan 8.150 nan 0.000 0.449 319 K N -0.877 119.536 120.400 0.021 0.000 2.116 319 K HA -0.055 4.264 4.320 -0.001 0.000 0.203 319 K C 1.922 178.519 176.600 -0.005 0.000 1.052 319 K CA 1.679 57.971 56.287 0.008 0.000 0.952 319 K CB -0.170 32.334 32.500 0.007 0.000 0.729 319 K HN 0.668 nan 8.250 nan 0.000 0.446 320 T N -3.750 110.796 114.554 -0.014 0.000 2.990 320 T HA 0.216 4.565 4.350 -0.001 0.000 0.249 320 T C 1.455 176.137 174.700 -0.029 0.000 1.039 320 T CA 0.454 62.541 62.100 -0.021 0.000 1.036 320 T CB 0.713 69.566 68.868 -0.026 0.000 0.994 320 T HN 0.304 nan 8.240 nan 0.000 0.489 321 G N 1.744 110.524 108.800 -0.034 0.000 2.162 321 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.260 321 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.260 321 G C -0.154 174.710 174.900 -0.060 0.000 0.976 321 G CA 0.364 45.437 45.100 -0.045 0.000 0.655 321 G HN 0.933 nan 8.290 nan 0.000 0.533 322 E N 0.335 120.499 120.200 -0.060 0.000 2.360 322 E HA 0.374 4.724 4.350 -0.001 0.000 0.269 322 E C 0.828 177.372 176.600 -0.093 0.000 1.022 322 E CA -0.768 55.590 56.400 -0.070 0.000 0.887 322 E CB 0.352 30.016 29.700 -0.060 0.000 0.990 322 E HN 0.418 nan 8.360 nan 0.000 0.426 323 R N 4.444 124.881 120.500 -0.105 0.000 2.442 323 R HA 0.085 4.424 4.340 -0.001 0.000 0.291 323 R C 0.433 176.653 176.300 -0.134 0.000 1.069 323 R CA -0.021 55.998 56.100 -0.135 0.000 1.022 323 R CB 0.421 30.633 30.300 -0.146 0.000 0.976 323 R HN 0.715 nan 8.270 nan 0.000 0.443 324 L N 3.150 124.275 121.223 -0.164 0.000 2.470 324 L HA 0.415 4.754 4.340 -0.001 0.000 0.219 324 L C 0.397 177.171 176.870 -0.161 0.000 1.071 324 L CA 0.181 54.935 54.840 -0.143 0.000 0.850 324 L CB 0.476 42.448 42.059 -0.145 0.000 1.040 324 L HN 0.740 nan 8.230 nan 0.000 0.475 325 A N 0.135 122.801 122.820 -0.256 0.000 2.599 325 A HA 0.559 4.878 4.320 -0.001 0.000 0.294 325 A C -1.466 175.856 177.584 -0.436 0.000 1.055 325 A CA -0.569 51.271 52.037 -0.328 0.000 0.683 325 A CB 1.481 20.220 19.000 -0.436 0.000 1.278 325 A HN -0.050 nan 8.150 nan 0.000 0.412 326 K N 1.476 121.682 120.400 -0.324 0.000 2.502 326 K HA 0.641 4.960 4.320 -0.001 0.000 0.254 326 K C -1.838 174.746 176.600 -0.026 0.000 0.947 326 K CA -0.416 55.726 56.287 -0.241 0.000 0.834 326 K CB 0.658 33.064 32.500 -0.156 0.000 1.112 326 K HN 0.446 nan 8.250 nan 0.000 0.427 327 F N 2.391 122.411 119.950 0.117 0.000 2.404 327 F HA 0.294 4.820 4.527 -0.002 0.000 0.339 327 F C 0.442 176.332 175.800 0.150 0.000 1.105 327 F CA -0.994 57.069 58.000 0.106 0.000 1.087 327 F CB 1.362 40.395 39.000 0.054 0.000 1.143 327 F HN 0.395 nan 8.300 nan 0.000 0.491 328 E N 4.131 124.511 120.200 0.300 0.000 2.089 328 E HA 0.155 4.505 4.350 -0.001 0.000 0.284 328 E C 0.462 177.007 176.600 -0.092 0.000 1.023 328 E CA -0.331 56.076 56.400 0.012 0.000 0.819 328 E CB 1.030 30.758 29.700 0.046 0.000 1.076 328 E HN 0.487 nan 8.360 nan 0.000 0.396 329 M N 1.128 120.599 119.600 -0.215 0.000 2.319 329 M HA 0.020 4.499 4.480 -0.001 0.000 0.265 329 M C 1.536 177.732 176.300 -0.174 0.000 1.068 329 M CA 1.082 56.289 55.300 -0.156 0.000 1.118 329 M CB -0.965 31.533 32.600 -0.169 0.000 1.395 329 M HN 0.919 nan 8.290 nan 0.000 0.435 330 G N 0.390 108.994 108.800 -0.327 0.000 2.159 330 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.256 330 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.256 330 G C -0.015 174.405 174.900 -0.799 0.000 0.977 330 G CA 0.710 45.530 45.100 -0.467 0.000 0.652 330 G HN 0.559 nan 8.290 nan 0.000 0.531 331 H N -1.083 117.823 119.070 -0.272 0.000 2.990 331 H HA 0.547 5.102 4.556 -0.002 0.000 0.343 331 H C -0.850 174.391 175.328 -0.145 0.000 1.270 331 H CA -0.978 54.913 56.048 -0.262 0.000 1.118 331 H CB 0.954 30.391 29.762 -0.542 0.000 1.861 331 H HN 0.030 nan 8.280 nan 0.000 0.544 332 E N 1.986 122.233 120.200 0.079 0.000 2.003 332 E HA 0.124 4.473 4.350 -0.001 0.000 0.279 332 E C -0.345 176.315 176.600 0.101 0.000 1.132 332 E CA -0.056 56.381 56.400 0.062 0.000 0.888 332 E CB 0.374 30.112 29.700 0.063 0.000 1.056 332 E HN 0.255 nan 8.360 nan 0.000 0.399 333 I N 2.864 123.486 120.570 0.088 0.000 2.354 333 I HA 0.134 4.304 4.170 -0.001 0.000 0.292 333 I C 1.130 177.316 176.117 0.114 0.000 0.989 333 I CA -0.358 61.013 61.300 0.119 0.000 1.188 333 I CB 1.306 39.372 38.000 0.108 0.000 1.342 333 I HN 0.344 nan 8.210 nan 0.000 0.457 334 D N 2.998 123.468 120.400 0.117 0.000 2.324 334 D HA 0.061 4.700 4.640 -0.001 0.000 0.212 334 D C 0.122 176.518 176.300 0.159 0.000 0.984 334 D CA 0.797 54.874 54.000 0.128 0.000 0.885 334 D CB 0.954 41.811 40.800 0.094 0.000 0.996 334 D HN 0.386 nan 8.370 nan 0.000 0.505 335 S N 0.051 115.842 115.700 0.152 0.000 2.549 335 S HA 0.583 5.053 4.470 -0.001 0.000 0.280 335 S C -0.318 174.379 174.600 0.162 0.000 1.109 335 S CA -0.796 57.505 58.200 0.167 0.000 0.905 335 S CB 2.470 65.782 63.200 0.187 0.000 1.081 335 S HN 0.168 nan 8.310 nan 0.000 0.477 336 I N 0.154 120.824 120.570 0.167 0.000 3.042 336 I HA 0.817 4.986 4.170 -0.001 0.000 0.310 336 I C -0.817 175.407 176.117 0.178 0.000 1.117 336 I CA -0.640 60.761 61.300 0.168 0.000 1.003 336 I CB 2.313 40.405 38.000 0.153 0.000 1.228 336 I HN 0.503 nan 8.210 nan 0.000 0.443 337 N N 1.146 119.957 118.700 0.185 0.000 3.116 337 N HA 0.687 5.427 4.740 -0.001 0.000 0.244 337 N C -1.743 173.857 175.510 0.150 0.000 1.485 337 N CA -0.254 52.910 53.050 0.190 0.000 0.884 337 N CB 2.611 41.235 38.487 0.228 0.000 1.415 337 N HN 0.789 nan 8.380 nan 0.000 0.524 338 V N -1.262 118.716 119.914 0.108 0.000 3.040 338 V HA 0.796 4.915 4.120 -0.001 0.000 0.312 338 V C 0.303 176.484 176.094 0.145 0.000 1.115 338 V CA -0.835 61.453 62.300 -0.020 0.000 0.998 338 V CB 1.117 32.813 31.823 -0.212 0.000 1.042 338 V HN 0.763 nan 8.190 nan 0.000 0.433 339 S N 1.745 117.501 115.700 0.093 0.000 2.603 339 S HA 0.356 4.825 4.470 -0.001 0.000 0.268 339 S C 0.241 174.905 174.600 0.105 0.000 1.317 339 S CA -0.481 57.816 58.200 0.162 0.000 1.012 339 S CB 1.160 64.442 63.200 0.137 0.000 0.926 339 S HN 0.820 nan 8.310 nan 0.000 0.539 340 Q N 0.948 120.763 119.800 0.024 0.000 2.198 340 Q HA 0.160 4.500 4.340 -0.001 0.000 0.209 340 Q C -0.330 175.622 176.000 -0.081 0.000 0.848 340 Q CA -0.090 55.599 55.803 -0.189 0.000 0.974 340 Q CB -0.037 28.598 28.738 -0.171 0.000 1.115 340 Q HN 0.879 nan 8.270 nan 0.000 0.494 341 D N -0.229 120.227 120.400 0.093 0.000 2.466 341 D HA 0.149 4.788 4.640 -0.001 0.000 0.262 341 D C 0.045 176.465 176.300 0.200 0.000 1.177 341 D CA -0.550 53.516 54.000 0.109 0.000 1.035 341 D CB 0.857 41.699 40.800 0.070 0.000 1.105 341 D HN -0.164 nan 8.370 nan 0.000 0.551 342 E N -0.447 119.821 120.200 0.113 0.000 2.383 342 E HA 0.070 4.419 4.350 -0.001 0.000 0.264 342 E C -0.241 176.381 176.600 0.036 0.000 1.050 342 E CA -0.445 56.000 56.400 0.075 0.000 0.896 342 E CB 0.406 30.132 29.700 0.044 0.000 0.982 342 E HN 0.232 nan 8.360 nan 0.000 0.424 343 K N -0.129 120.269 120.400 -0.004 0.000 3.244 343 K HA -0.116 4.203 4.320 -0.001 0.000 0.270 343 K C -2.474 174.107 176.600 -0.031 0.000 1.016 343 K CA 0.213 56.486 56.287 -0.024 0.000 0.754 343 K CB -2.083 30.408 32.500 -0.015 0.000 1.326 343 K HN 0.500 nan 8.250 nan 0.000 0.465 344 P HA 0.079 nan 4.420 nan 0.000 0.271 344 P C 0.542 177.773 177.300 -0.115 0.000 1.233 344 P CA -0.316 62.766 63.100 -0.030 0.000 0.789 344 P CB 0.728 32.435 31.700 0.011 0.000 0.951 345 L N 1.160 122.264 121.223 -0.198 0.000 2.350 345 L HA 0.309 4.649 4.340 -0.001 0.000 0.275 345 L C 0.626 177.190 176.870 -0.510 0.000 1.099 345 L CA -0.968 53.643 54.840 -0.381 0.000 0.808 345 L CB 0.585 42.295 42.059 -0.582 0.000 1.149 345 L HN 0.274 nan 8.230 nan 0.000 0.442 346 L N 3.536 124.530 121.223 -0.381 0.000 2.265 346 L HA 0.394 4.733 4.340 -0.001 0.000 0.289 346 L C -1.012 175.722 176.870 -0.228 0.000 1.033 346 L CA 0.052 54.715 54.840 -0.295 0.000 0.814 346 L CB 0.504 42.492 42.059 -0.118 0.000 1.203 346 L HN 0.201 nan 8.230 nan 0.000 0.423 347 Y N 4.264 124.584 120.300 0.034 0.000 2.326 347 Y HA 0.668 5.217 4.550 -0.001 0.000 0.337 347 Y C 0.425 176.378 175.900 0.088 0.000 1.023 347 Y CA -0.584 57.560 58.100 0.073 0.000 1.143 347 Y CB 1.590 40.077 38.460 0.045 0.000 1.183 347 Y HN 0.725 nan 8.280 nan 0.000 0.485 348 A N 4.698 127.702 122.820 0.306 0.000 2.466 348 A HA 0.582 4.901 4.320 -0.001 0.000 0.291 348 A C -1.710 176.031 177.584 0.263 0.000 1.234 348 A CA -0.595 51.585 52.037 0.239 0.000 0.752 348 A CB 0.347 19.451 19.000 0.172 0.000 1.153 348 A HN 0.633 nan 8.150 nan 0.000 0.458 349 L N 2.655 123.983 121.223 0.175 0.000 2.282 349 L HA 0.697 5.036 4.340 -0.001 0.000 0.288 349 L C 0.219 177.154 176.870 0.110 0.000 1.033 349 L CA 0.130 55.028 54.840 0.096 0.000 0.807 349 L CB 1.757 43.849 42.059 0.055 0.000 1.209 349 L HN 0.486 nan 8.230 nan 0.000 0.423 350 S N 2.548 118.299 115.700 0.086 0.000 2.448 350 S HA 0.313 4.782 4.470 -0.001 0.000 0.320 350 S C 0.974 175.580 174.600 0.010 0.000 1.071 350 S CA -0.280 57.981 58.200 0.102 0.000 1.113 350 S CB 0.739 64.074 63.200 0.226 0.000 0.972 350 S HN 0.854 nan 8.310 nan 0.000 0.465 351 T N 4.445 118.999 114.554 -0.001 0.000 2.788 351 T HA -0.029 4.320 4.350 -0.001 0.000 0.268 351 T C 1.965 176.662 174.700 -0.004 0.000 1.044 351 T CA 1.574 63.648 62.100 -0.043 0.000 1.139 351 T CB -0.558 68.269 68.868 -0.068 0.000 0.867 351 T HN 0.757 nan 8.240 nan 0.000 0.454 352 G N 1.360 110.175 108.800 0.026 0.000 2.394 352 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.215 352 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.215 352 G C 1.145 176.060 174.900 0.026 0.000 1.165 352 G CA 0.564 45.686 45.100 0.036 0.000 0.784 352 G HN 0.379 nan 8.290 nan 0.000 0.535 353 D N 0.461 120.879 120.400 0.030 0.000 2.355 353 D HA 0.076 4.715 4.640 -0.001 0.000 0.218 353 D C 0.709 176.963 176.300 -0.077 0.000 1.004 353 D CA 0.148 54.153 54.000 0.009 0.000 0.880 353 D CB 0.033 40.877 40.800 0.074 0.000 0.911 353 D HN 0.215 nan 8.370 nan 0.000 0.528 354 K N -0.207 120.136 120.400 -0.095 0.000 3.156 354 K HA -0.150 4.170 4.320 -0.001 0.000 0.266 354 K C -0.649 175.792 176.600 -0.266 0.000 0.966 354 K CA 0.643 56.827 56.287 -0.172 0.000 0.719 354 K CB -2.025 30.371 32.500 -0.174 0.000 1.333 354 K HN 0.036 nan 8.250 nan 0.000 0.468 355 T N 0.399 114.773 114.554 -0.301 0.000 2.921 355 T HA 0.478 4.827 4.350 -0.001 0.000 0.297 355 T C -1.073 173.304 174.700 -0.539 0.000 1.013 355 T CA -0.859 60.943 62.100 -0.497 0.000 0.990 355 T CB 1.499 69.942 68.868 -0.709 0.000 1.023 355 T HN 0.199 nan 8.240 nan 0.000 0.447 356 L N 4.284 125.221 121.223 -0.476 0.000 2.265 356 L HA 0.532 4.871 4.340 -0.001 0.000 0.288 356 L C -1.440 175.187 176.870 -0.405 0.000 1.058 356 L CA -0.265 54.384 54.840 -0.318 0.000 0.809 356 L CB -0.057 41.891 42.059 -0.184 0.000 1.179 356 L HN 0.572 nan 8.230 nan 0.000 0.429 357 Y N 5.528 125.841 120.300 0.022 0.000 2.320 357 Y HA 0.523 5.072 4.550 -0.002 0.000 0.334 357 Y C 0.033 176.038 175.900 0.175 0.000 1.055 357 Y CA -0.488 57.638 58.100 0.043 0.000 1.143 357 Y CB 1.100 39.626 38.460 0.109 0.000 1.193 357 Y HN 0.398 nan 8.280 nan 0.000 0.477 358 I N 4.542 125.220 120.570 0.179 0.000 2.355 358 I HA 0.268 4.437 4.170 -0.001 0.000 0.288 358 I C -0.331 175.750 176.117 -0.060 0.000 0.999 358 I CA -0.420 60.955 61.300 0.123 0.000 1.163 358 I CB 0.598 38.649 38.000 0.085 0.000 1.316 358 I HN 0.599 nan 8.210 nan 0.000 0.454 359 H N 4.224 123.250 119.070 -0.073 0.000 2.573 359 H HA 0.210 4.765 4.556 -0.002 0.000 0.351 359 H C -0.822 174.400 175.328 -0.176 0.000 1.163 359 H CA -0.705 55.272 56.048 -0.117 0.000 1.205 359 H CB 2.512 32.201 29.762 -0.122 0.000 1.605 359 H HN 0.516 nan 8.280 nan 0.000 0.525 360 D N 1.367 121.720 120.400 -0.078 0.000 2.371 360 D HA 0.055 4.694 4.640 -0.001 0.000 0.256 360 D C 0.714 176.942 176.300 -0.120 0.000 1.193 360 D CA -0.024 53.914 54.000 -0.104 0.000 0.881 360 D CB 1.083 41.821 40.800 -0.104 0.000 1.143 360 D HN 0.653 nan 8.370 nan 0.000 0.473 361 A N 4.034 126.810 122.820 -0.073 0.000 2.168 361 A HA -0.125 4.194 4.320 -0.001 0.000 0.215 361 A C 1.797 179.491 177.584 0.182 0.000 1.152 361 A CA 0.909 52.971 52.037 0.042 0.000 0.716 361 A CB -0.037 18.959 19.000 -0.008 0.000 0.794 361 A HN 0.607 nan 8.150 nan 0.000 0.465 362 E N 0.389 120.629 120.200 0.067 0.000 2.075 362 E HA -0.076 4.273 4.350 -0.001 0.000 0.190 362 E C 2.139 178.816 176.600 0.127 0.000 0.969 362 E CA 1.596 58.067 56.400 0.117 0.000 0.815 362 E CB -0.151 29.571 29.700 0.037 0.000 0.776 362 E HN 0.550 nan 8.360 nan 0.000 0.457 363 S N -1.536 114.134 115.700 -0.051 0.000 2.517 363 S HA 0.250 4.720 4.470 -0.001 0.000 0.214 363 S C 1.712 176.034 174.600 -0.464 0.000 0.991 363 S CA 0.508 58.648 58.200 -0.100 0.000 0.906 363 S CB 0.316 63.468 63.200 -0.081 0.000 0.789 363 S HN 0.495 nan 8.310 nan 0.000 0.513 364 G N 1.763 109.980 108.800 -0.970 0.000 2.189 364 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.267 364 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.267 364 G C -0.113 174.546 174.900 -0.402 0.000 0.975 364 G CA 0.508 44.733 45.100 -1.458 0.000 0.644 364 G HN 0.908 nan 8.290 nan 0.000 0.537 365 E N 0.960 121.020 120.200 -0.233 0.000 2.344 365 E HA 0.347 4.696 4.350 -0.001 0.000 0.270 365 E C 0.332 176.837 176.600 -0.160 0.000 1.021 365 E CA -0.366 55.964 56.400 -0.116 0.000 0.887 365 E CB 0.385 30.020 29.700 -0.108 0.000 0.997 365 E HN 0.432 nan 8.360 nan 0.000 0.429 366 E N 4.188 124.217 120.200 -0.285 0.000 2.366 366 E HA -0.022 4.327 4.350 -0.001 0.000 0.266 366 E C 0.244 176.668 176.600 -0.294 0.000 1.015 366 E CA -0.032 55.991 56.400 -0.629 0.000 0.906 366 E CB 0.641 30.079 29.700 -0.437 0.000 0.979 366 E HN 0.692 nan 8.360 nan 0.000 0.443 367 L N 4.605 125.672 121.223 -0.260 0.000 2.362 367 L HA 0.243 4.582 4.340 -0.001 0.000 0.204 367 L C 0.971 177.786 176.870 -0.092 0.000 1.060 367 L CA 0.183 54.942 54.840 -0.136 0.000 0.827 367 L CB 0.089 42.082 42.059 -0.109 0.000 1.027 367 L HN 0.596 nan 8.230 nan 0.000 0.474 368 R N -0.821 119.628 120.500 -0.084 0.000 2.752 368 R HA 0.550 4.889 4.340 -0.001 0.000 0.277 368 R C -1.470 174.808 176.300 -0.036 0.000 1.024 368 R CA -0.491 55.581 56.100 -0.047 0.000 0.866 368 R CB 1.408 31.683 30.300 -0.042 0.000 1.278 368 R HN -0.067 nan 8.270 nan 0.000 0.473 369 S N -0.376 115.288 115.700 -0.061 0.000 2.570 369 S HA 0.665 5.134 4.470 -0.001 0.000 0.270 369 S C -1.248 173.239 174.600 -0.187 0.000 1.149 369 S CA -0.761 57.350 58.200 -0.148 0.000 0.837 369 S CB 2.176 65.254 63.200 -0.204 0.000 1.124 369 S HN 0.469 nan 8.310 nan 0.000 0.465 370 V N 3.306 123.061 119.914 -0.266 0.000 2.443 370 V HA 0.532 4.651 4.120 -0.001 0.000 0.293 370 V C -0.348 175.547 176.094 -0.332 0.000 1.021 370 V CA -0.719 61.434 62.300 -0.246 0.000 0.848 370 V CB 0.989 32.682 31.823 -0.216 0.000 0.998 370 V HN 1.041 nan 8.190 nan 0.000 0.424 371 N N 3.100 121.627 118.700 -0.289 0.000 2.643 371 N HA 0.298 5.037 4.740 -0.001 0.000 0.305 371 N C 0.100 175.427 175.510 -0.306 0.000 1.283 371 N CA -0.781 52.089 53.050 -0.300 0.000 0.946 371 N CB 0.283 38.635 38.487 -0.225 0.000 1.149 371 N HN 0.576 nan 8.380 nan 0.000 0.600 372 Q N -1.082 118.557 119.800 -0.269 0.000 2.453 372 Q HA -0.142 4.197 4.340 -0.001 0.000 0.294 372 Q C -0.751 174.987 176.000 -0.438 0.000 1.295 372 Q CA 0.372 56.015 55.803 -0.266 0.000 0.853 372 Q CB -1.913 26.716 28.738 -0.182 0.000 1.193 372 Q HN 0.477 nan 8.270 nan 0.000 0.461 373 L N 0.428 121.311 121.223 -0.567 0.000 2.719 373 L HA 0.386 4.725 4.340 -0.001 0.000 0.236 373 L C 1.290 177.833 176.870 -0.546 0.000 1.285 373 L CA 0.320 54.530 54.840 -1.050 0.000 1.222 373 L CB -0.421 41.079 42.059 -0.932 0.000 1.493 373 L HN 0.558 nan 8.230 nan 0.000 0.415 374 G N 0.248 108.890 108.800 -0.264 0.000 2.542 374 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.235 374 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.235 374 G C 0.415 175.097 174.900 -0.363 0.000 1.286 374 G CA -0.032 44.970 45.100 -0.165 0.000 0.904 374 G HN 0.497 nan 8.290 nan 0.000 0.577 375 H N 0.516 119.572 119.070 -0.024 0.000 2.506 375 H HA 0.336 4.891 4.556 -0.001 0.000 0.289 375 H C 1.818 177.051 175.328 -0.158 0.000 1.009 375 H CA 1.202 57.223 56.048 -0.045 0.000 1.303 375 H CB 0.925 30.684 29.762 -0.005 0.000 1.453 375 H HN 1.187 nan 8.280 nan 0.000 0.526 376 G N 2.773 111.426 108.800 -0.245 0.000 4.379 376 G HA2 0.161 4.121 3.960 -0.001 0.000 0.243 376 G HA3 0.161 4.121 3.960 -0.001 0.000 0.243 376 G C -3.028 171.655 174.900 -0.362 0.000 1.009 376 G CA -0.737 44.052 45.100 -0.518 0.000 0.646 376 G HN -0.050 nan 8.290 nan 0.000 0.475 377 P HA 0.141 nan 4.420 nan 0.000 0.268 377 P C -0.182 177.025 177.300 -0.155 0.000 1.205 377 P CA 0.322 63.341 63.100 -0.135 0.000 0.771 377 P CB 2.032 33.663 31.700 -0.115 0.000 0.858 378 Q N 0.621 120.346 119.800 -0.125 0.000 2.167 378 Q HA 0.190 4.530 4.340 -0.001 0.000 0.251 378 Q C -0.296 175.772 176.000 0.113 0.000 0.768 378 Q CA 0.099 55.826 55.803 -0.127 0.000 0.944 378 Q CB 1.111 29.560 28.738 -0.482 0.000 1.179 378 Q HN 0.227 nan 8.270 nan 0.000 0.478 379 V N 2.124 122.110 119.914 0.121 0.000 2.487 379 V HA 0.444 4.563 4.120 -0.001 0.000 0.298 379 V C -0.702 175.467 176.094 0.126 0.000 1.028 379 V CA -0.539 61.878 62.300 0.196 0.000 0.860 379 V CB 1.803 33.758 31.823 0.220 0.000 0.991 379 V HN 0.144 nan 8.190 nan 0.000 0.427 380 I N 4.253 124.900 120.570 0.127 0.000 2.354 380 I HA 0.579 4.748 4.170 -0.001 0.000 0.292 380 I C 0.000 176.168 176.117 0.085 0.000 0.989 380 I CA -0.041 61.306 61.300 0.078 0.000 1.188 380 I CB 1.910 39.953 38.000 0.073 0.000 1.342 380 I HN 0.530 nan 8.210 nan 0.000 0.457 381 T N 3.108 117.711 114.554 0.082 0.000 2.893 381 T HA 0.631 4.981 4.350 -0.001 0.000 0.293 381 T C -0.167 174.618 174.700 0.143 0.000 1.027 381 T CA -0.767 61.384 62.100 0.086 0.000 0.988 381 T CB 1.981 70.854 68.868 0.008 0.000 1.043 381 T HN 0.717 nan 8.240 nan 0.000 0.461 382 T N -0.968 113.664 114.554 0.129 0.000 2.901 382 T HA 0.848 5.197 4.350 -0.001 0.000 0.293 382 T C -0.537 174.236 174.700 0.121 0.000 1.084 382 T CA -1.043 61.147 62.100 0.150 0.000 1.008 382 T CB 1.713 70.672 68.868 0.152 0.000 1.170 382 T HN 0.792 nan 8.240 nan 0.000 0.509 383 A N 0.909 123.800 122.820 0.119 0.000 2.306 383 A HA 0.591 4.910 4.320 -0.001 0.000 0.314 383 A C -0.207 177.408 177.584 0.051 0.000 1.164 383 A CA -0.615 51.461 52.037 0.065 0.000 0.822 383 A CB 0.529 19.565 19.000 0.060 0.000 1.130 383 A HN 0.857 nan 8.150 nan 0.000 0.496 384 D N 2.940 123.359 120.400 0.031 0.000 2.479 384 D HA 0.348 4.988 4.640 -0.001 0.000 0.218 384 D C 0.618 176.922 176.300 0.007 0.000 1.131 384 D CA -0.043 53.962 54.000 0.009 0.000 0.916 384 D CB 0.402 41.202 40.800 -0.001 0.000 1.022 384 D HN 0.487 nan 8.370 nan 0.000 0.515 385 M N 1.242 120.848 119.600 0.011 0.000 2.509 385 M HA 0.195 4.674 4.480 -0.001 0.000 0.250 385 M C 1.388 177.694 176.300 0.010 0.000 1.132 385 M CA -0.172 55.136 55.300 0.014 0.000 1.080 385 M CB 0.582 33.195 32.600 0.022 0.000 1.408 385 M HN 0.210 nan 8.290 nan 0.000 0.484 386 G N 0.000 108.801 108.800 0.002 0.000 5.446 386 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 386 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 386 G CA 0.000 45.101 45.100 0.001 0.000 0.502 386 G HN 0.000 nan 8.290 nan 0.000 0.925