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 2rjs_1_B DATA FIRST_RESID 11 DATA SEQUENCE VPVSVDGETL TVEAVRRVAE ERATVDVPAE SIAKAQKSRE IFEGIAEQNI DATA SEQUENCE PIYGVTTGYG EMIYMQVDKS KEVELQTNLV RSHSAGVGPL FAEDEARAIV DATA SEQUENCE AARLNTLAKG HSAVRPIILE RLAQYLNEGI TPAIPEIGSL GXXXDLAPLS DATA SEQUENCE HVASTLIGEG YVLRDGRPVE TAQVLAERGI EPLELRFKEG LALINGTSGM DATA SEQUENCE TGLGSLVVGR ALEQAQQAEI VTALLIEAVR GSTSPFLAEG HDIARPHEGQ DATA SEQUENCE IDTAANMRAL MRGSGLTVEH ADLRRELQKD KEAGKDVQRS EIYLQKAYSL DATA SEQUENCE RAIPQVVGAV RDTLYHARHK LRIELNSAND NPLFFEGKEI FHGANFHGQP DATA SEQUENCE IAFAMDFVTI ALTQLGVLAE RQINRVLNRH LSYGLPEFLV SGDPGLHSGF DATA SEQUENCE AGAQYPATAL VAENRTIGPA STQSVPSNGD NQDVVSMGLI SARNARRVLS DATA SEQUENCE NNNKILAVEY LAAAQAVDIS GRFDGLSPAA KATYEAVRRL VPTLGVDRYM DATA SEQUENCE ADDIELVADA LSRGEFLRAI ARETDIQLR 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 V HA 0.000 nan 4.120 nan 0.000 0.244 11 V C 0.000 176.096 176.094 0.004 0.000 1.182 11 V CA 0.000 62.303 62.300 0.005 0.000 1.235 11 V CB 0.000 31.826 31.823 0.004 0.000 1.184 12 P HA 0.718 nan 4.420 nan 0.000 0.296 12 P C -0.569 176.734 177.300 0.004 0.000 1.310 12 P CA -0.474 62.629 63.100 0.005 0.000 0.900 12 P CB 2.476 34.179 31.700 0.005 0.000 1.111 13 V N 1.228 121.144 119.914 0.005 0.000 2.811 13 V HA 0.168 4.269 4.120 -0.032 0.000 0.302 13 V C 0.890 176.986 176.094 0.003 0.000 1.063 13 V CA 0.062 62.364 62.300 0.004 0.000 1.088 13 V CB 1.154 32.980 31.823 0.005 0.000 0.982 13 V HN 0.809 nan 8.190 nan 0.000 0.485 14 S N 3.437 119.138 115.700 0.002 0.000 2.438 14 S HA 0.448 4.899 4.470 -0.032 0.000 0.316 14 S C -0.515 174.084 174.600 -0.001 0.000 1.084 14 S CA -0.728 57.472 58.200 0.001 0.000 1.107 14 S CB 0.951 64.152 63.200 0.001 0.000 0.981 14 S HN 0.873 nan 8.310 nan 0.000 0.466 15 V N 3.524 123.436 119.914 -0.003 0.000 2.270 15 V HA 0.543 4.644 4.120 -0.032 0.000 0.263 15 V C 0.137 176.225 176.094 -0.009 0.000 1.066 15 V CA -0.583 61.713 62.300 -0.006 0.000 0.857 15 V CB 0.667 32.484 31.823 -0.008 0.000 1.099 15 V HN 0.849 nan 8.190 nan 0.000 0.476 16 D N 2.994 123.390 120.400 -0.007 0.000 2.431 16 D HA 0.205 4.826 4.640 -0.032 0.000 0.213 16 D C 1.421 177.716 176.300 -0.009 0.000 1.130 16 D CA 0.251 54.245 54.000 -0.010 0.000 0.834 16 D CB 0.405 41.202 40.800 -0.005 0.000 0.985 16 D HN 1.185 nan 8.370 nan 0.000 0.504 17 G N 0.689 109.485 108.800 -0.006 0.000 2.187 17 G HA2 -0.313 3.628 3.960 -0.032 0.000 0.261 17 G HA3 -0.313 3.628 3.960 -0.032 0.000 0.261 17 G C 0.687 175.594 174.900 0.013 0.000 1.000 17 G CA 0.794 45.894 45.100 0.001 0.000 0.718 17 G HN 0.414 nan 8.290 nan 0.000 0.519 18 E N -2.077 118.129 120.200 0.011 0.000 2.550 18 E HA 0.049 4.380 4.350 -0.032 0.000 0.206 18 E C 1.850 178.459 176.600 0.015 0.000 0.845 18 E CA 1.264 57.674 56.400 0.017 0.000 1.461 18 E CB 0.049 29.760 29.700 0.017 0.000 1.452 18 E HN 0.788 nan 8.360 nan 0.000 0.780 19 T N -0.808 113.752 114.554 0.011 0.000 3.200 19 T HA 0.304 4.635 4.350 -0.032 0.000 0.284 19 T C 0.396 175.102 174.700 0.011 0.000 1.009 19 T CA -0.389 61.718 62.100 0.012 0.000 0.907 19 T CB -0.043 68.831 68.868 0.010 0.000 1.120 19 T HN -0.133 nan 8.240 nan 0.000 0.534 20 L N 4.414 125.642 121.223 0.009 0.000 2.455 20 L HA 0.496 4.817 4.340 -0.032 0.000 0.272 20 L C 0.453 177.330 176.870 0.012 0.000 1.174 20 L CA 0.605 55.450 54.840 0.008 0.000 0.869 20 L CB 0.694 42.756 42.059 0.004 0.000 1.130 20 L HN 0.523 nan 8.230 nan 0.000 0.474 21 T N 1.041 115.603 114.554 0.013 0.000 2.940 21 T HA 0.409 4.740 4.350 -0.032 0.000 0.288 21 T C 1.183 175.894 174.700 0.018 0.000 1.033 21 T CA -0.615 61.496 62.100 0.018 0.000 1.033 21 T CB 1.299 70.178 68.868 0.019 0.000 1.079 21 T HN 0.273 nan 8.240 nan 0.000 0.496 22 V N 1.072 121.001 119.914 0.024 0.000 2.392 22 V HA -0.147 3.954 4.120 -0.032 0.000 0.249 22 V C 2.773 178.881 176.094 0.024 0.000 1.059 22 V CA 2.450 64.765 62.300 0.025 0.000 1.051 22 V CB -0.964 30.881 31.823 0.038 0.000 0.658 22 V HN 1.087 nan 8.190 nan 0.000 0.455 23 E N 0.361 120.576 120.200 0.025 0.000 2.072 23 E HA -0.202 4.129 4.350 -0.032 0.000 0.191 23 E C 2.211 178.821 176.600 0.016 0.000 0.985 23 E CA 1.325 57.738 56.400 0.022 0.000 0.801 23 E CB -0.268 29.445 29.700 0.022 0.000 0.750 23 E HN 0.558 nan 8.360 nan 0.000 0.452 24 A N 0.520 123.348 122.820 0.014 0.000 1.933 24 A HA -0.121 4.180 4.320 -0.032 0.000 0.218 24 A C 2.393 179.982 177.584 0.008 0.000 1.175 24 A CA 1.419 53.462 52.037 0.010 0.000 0.628 24 A CB -0.610 18.395 19.000 0.009 0.000 0.814 24 A HN 0.234 nan 8.150 nan 0.000 0.444 25 V N -0.002 119.916 119.914 0.007 0.000 2.343 25 V HA -0.268 3.833 4.120 -0.032 0.000 0.247 25 V C 2.620 178.717 176.094 0.004 0.000 1.051 25 V CA 2.217 64.519 62.300 0.003 0.000 1.036 25 V CB -0.827 30.995 31.823 -0.000 0.000 0.654 25 V HN 0.522 nan 8.190 nan 0.000 0.451 26 R N -0.243 120.263 120.500 0.009 0.000 2.081 26 R HA -0.114 4.207 4.340 -0.032 0.000 0.235 26 R C 2.571 178.878 176.300 0.011 0.000 1.131 26 R CA 1.420 57.527 56.100 0.012 0.000 0.960 26 R CB -0.343 29.968 30.300 0.018 0.000 0.856 26 R HN 0.491 nan 8.270 nan 0.000 0.436 27 R N 0.113 120.619 120.500 0.011 0.000 2.083 27 R HA -0.117 4.204 4.340 -0.032 0.000 0.237 27 R C 2.314 178.619 176.300 0.008 0.000 1.137 27 R CA 1.571 57.677 56.100 0.010 0.000 0.951 27 R CB -0.533 29.772 30.300 0.009 0.000 0.851 27 R HN 0.065 nan 8.270 nan 0.000 0.434 28 V N 0.894 120.813 119.914 0.007 0.000 2.343 28 V HA -0.244 3.857 4.120 -0.032 0.000 0.247 28 V C 2.371 178.469 176.094 0.007 0.000 1.051 28 V CA 2.029 64.334 62.300 0.007 0.000 1.036 28 V CB -0.654 31.172 31.823 0.005 0.000 0.654 28 V HN 0.434 nan 8.190 nan 0.000 0.451 29 A N -0.306 122.517 122.820 0.005 0.000 1.843 29 A HA -0.158 4.143 4.320 -0.032 0.000 0.213 29 A C 2.177 179.766 177.584 0.009 0.000 1.202 29 A CA 1.600 53.639 52.037 0.004 0.000 0.607 29 A CB -0.449 18.550 19.000 -0.003 0.000 0.847 29 A HN 0.551 nan 8.150 nan 0.000 0.445 30 E N -0.291 119.915 120.200 0.010 0.000 2.076 30 E HA -0.083 4.248 4.350 -0.032 0.000 0.190 30 E C 1.081 177.687 176.600 0.010 0.000 0.979 30 E CA 1.156 57.563 56.400 0.012 0.000 0.807 30 E CB 0.014 29.722 29.700 0.014 0.000 0.761 30 E HN 0.693 nan 8.360 nan 0.000 0.454 31 E N 0.229 120.435 120.200 0.009 0.000 2.499 31 E HA 0.147 4.478 4.350 -0.032 0.000 0.199 31 E C -0.497 176.107 176.600 0.007 0.000 1.016 31 E CA -0.213 56.192 56.400 0.007 0.000 0.933 31 E CB 0.604 30.308 29.700 0.007 0.000 1.050 31 E HN 0.021 nan 8.360 nan 0.000 0.462 32 R N -0.127 120.378 120.500 0.009 0.000 3.416 32 R HA -0.184 4.137 4.340 -0.032 0.000 0.263 32 R C -0.302 176.004 176.300 0.009 0.000 1.053 32 R CA 0.770 56.876 56.100 0.009 0.000 0.705 32 R CB -2.674 27.631 30.300 0.008 0.000 1.124 32 R HN 0.263 nan 8.270 nan 0.000 0.444 33 A N 0.685 123.510 122.820 0.008 0.000 2.477 33 A HA 0.329 4.630 4.320 -0.032 0.000 0.246 33 A C 0.699 178.289 177.584 0.009 0.000 1.078 33 A CA 0.195 52.236 52.037 0.008 0.000 0.770 33 A CB 0.387 19.392 19.000 0.007 0.000 1.011 33 A HN 0.240 nan 8.150 nan 0.000 0.494 34 T N 1.643 116.202 114.554 0.008 0.000 2.940 34 T HA 0.304 4.635 4.350 -0.032 0.000 0.309 34 T C 0.174 174.879 174.700 0.009 0.000 1.056 34 T CA 0.156 62.262 62.100 0.010 0.000 1.137 34 T CB 0.717 69.590 68.868 0.008 0.000 0.976 34 T HN 0.621 nan 8.240 nan 0.000 0.547 35 V N 2.103 122.023 119.914 0.010 0.000 2.630 35 V HA 0.597 4.698 4.120 -0.032 0.000 0.305 35 V C -0.817 175.280 176.094 0.006 0.000 1.046 35 V CA -0.666 61.638 62.300 0.007 0.000 0.934 35 V CB 2.192 34.020 31.823 0.008 0.000 1.003 35 V HN 1.045 nan 8.190 nan 0.000 0.451 36 D N 3.186 123.588 120.400 0.003 0.000 2.890 36 D HA 0.418 5.040 4.640 -0.032 0.000 0.233 36 D C -1.263 175.036 176.300 -0.003 0.000 1.306 36 D CA -0.346 53.655 54.000 0.001 0.000 0.929 36 D CB 2.040 42.841 40.800 0.002 0.000 1.512 36 D HN 0.376 nan 8.370 nan 0.000 0.568 37 V N 6.055 125.965 119.914 -0.006 0.000 2.408 37 V HA 0.373 4.474 4.120 -0.032 0.000 0.267 37 V C -1.549 174.539 176.094 -0.009 0.000 1.047 37 V CA -1.125 61.168 62.300 -0.010 0.000 0.937 37 V CB 0.757 32.571 31.823 -0.016 0.000 0.999 37 V HN 0.564 nan 8.190 nan 0.000 0.472 38 P HA 0.085 nan 4.420 nan 0.000 0.269 38 P C 0.636 177.931 177.300 -0.009 0.000 1.215 38 P CA -0.036 63.060 63.100 -0.007 0.000 0.780 38 P CB 1.159 32.856 31.700 -0.006 0.000 0.898 39 A N 2.798 125.614 122.820 -0.006 0.000 1.940 39 A HA -0.204 4.097 4.320 -0.032 0.000 0.219 39 A C 2.109 179.688 177.584 -0.008 0.000 1.176 39 A CA 1.553 53.586 52.037 -0.006 0.000 0.631 39 A CB -1.078 17.920 19.000 -0.003 0.000 0.814 39 A HN 0.657 nan 8.150 nan 0.000 0.446 40 E N -0.305 119.891 120.200 -0.007 0.000 2.077 40 E HA -0.126 4.205 4.350 -0.032 0.000 0.193 40 E C 2.277 178.868 176.600 -0.015 0.000 0.989 40 E CA 1.339 57.734 56.400 -0.007 0.000 0.800 40 E CB -0.144 29.553 29.700 -0.005 0.000 0.746 40 E HN 0.587 nan 8.360 nan 0.000 0.452 41 S N 0.579 116.268 115.700 -0.019 0.000 2.383 41 S HA -0.091 4.360 4.470 -0.032 0.000 0.227 41 S C 1.937 176.517 174.600 -0.033 0.000 1.026 41 S CA 0.538 58.720 58.200 -0.030 0.000 0.981 41 S CB -0.011 63.171 63.200 -0.029 0.000 0.818 41 S HN 0.193 nan 8.310 nan 0.000 0.472 42 I N 1.966 122.521 120.570 -0.025 0.000 2.226 42 I HA -0.138 4.013 4.170 -0.032 0.000 0.245 42 I C 2.655 178.759 176.117 -0.022 0.000 1.100 42 I CA 1.169 62.455 61.300 -0.024 0.000 1.374 42 I CB -1.705 36.285 38.000 -0.017 0.000 1.057 42 I HN 0.220 nan 8.210 nan 0.000 0.413 43 A N 0.681 123.492 122.820 -0.016 0.000 1.898 43 A HA -0.235 4.067 4.320 -0.032 0.000 0.216 43 A C 2.457 180.034 177.584 -0.012 0.000 1.181 43 A CA 1.748 53.779 52.037 -0.010 0.000 0.620 43 A CB -0.525 18.473 19.000 -0.004 0.000 0.819 43 A HN 0.374 nan 8.150 nan 0.000 0.442 44 K N -0.426 119.961 120.400 -0.022 0.000 2.148 44 K HA -0.010 4.291 4.320 -0.032 0.000 0.204 44 K C 2.095 178.670 176.600 -0.042 0.000 1.050 44 K CA 1.018 57.288 56.287 -0.029 0.000 0.942 44 K CB -0.259 32.209 32.500 -0.055 0.000 0.724 44 K HN 0.382 nan 8.250 nan 0.000 0.446 45 A N 0.841 123.630 122.820 -0.051 0.000 1.854 45 A HA -0.201 4.100 4.320 -0.032 0.000 0.214 45 A C 2.080 179.635 177.584 -0.048 0.000 1.192 45 A CA 1.552 53.552 52.037 -0.061 0.000 0.611 45 A CB -0.712 18.254 19.000 -0.058 0.000 0.832 45 A HN 0.404 nan 8.150 nan 0.000 0.442 46 Q N 0.395 120.177 119.800 -0.031 0.000 2.096 46 Q HA -0.218 4.103 4.340 -0.032 0.000 0.204 46 Q C 2.022 178.011 176.000 -0.019 0.000 0.982 46 Q CA 2.574 58.364 55.803 -0.021 0.000 0.850 46 Q CB -0.340 28.390 28.738 -0.013 0.000 0.901 46 Q HN 0.670 nan 8.270 nan 0.000 0.422 47 K N -0.958 119.436 120.400 -0.009 0.000 2.057 47 K HA -0.064 4.237 4.320 -0.032 0.000 0.206 47 K C 2.101 178.695 176.600 -0.009 0.000 1.050 47 K CA 1.423 57.714 56.287 0.007 0.000 0.935 47 K CB -0.152 32.367 32.500 0.032 0.000 0.715 47 K HN 0.194 nan 8.250 nan 0.000 0.439 48 S N 0.775 116.458 115.700 -0.029 0.000 2.382 48 S HA -0.130 4.321 4.470 -0.032 0.000 0.228 48 S C 1.829 176.255 174.600 -0.290 0.000 1.027 48 S CA 1.257 59.372 58.200 -0.142 0.000 0.991 48 S CB -0.267 62.891 63.200 -0.069 0.000 0.823 48 S HN 0.292 nan 8.310 nan 0.000 0.469 49 R N 1.846 122.266 120.500 -0.134 0.000 2.081 49 R HA -0.003 4.318 4.340 -0.032 0.000 0.235 49 R C 2.084 178.370 176.300 -0.024 0.000 1.131 49 R CA 1.828 57.896 56.100 -0.054 0.000 0.960 49 R CB -0.617 29.671 30.300 -0.019 0.000 0.856 49 R HN 0.543 nan 8.270 nan 0.000 0.436 50 E N -0.378 119.799 120.200 -0.039 0.000 2.072 50 E HA -0.137 4.194 4.350 -0.032 0.000 0.191 50 E C 1.880 178.449 176.600 -0.051 0.000 0.985 50 E CA 1.440 57.825 56.400 -0.025 0.000 0.801 50 E CB -0.078 29.617 29.700 -0.009 0.000 0.750 50 E HN 0.418 nan 8.360 nan 0.000 0.452 51 I N 0.259 120.779 120.570 -0.084 0.000 2.233 51 I HA -0.202 3.949 4.170 -0.032 0.000 0.243 51 I C 2.260 178.276 176.117 -0.169 0.000 1.093 51 I CA 0.677 61.933 61.300 -0.073 0.000 1.380 51 I CB -0.293 37.731 38.000 0.040 0.000 1.067 51 I HN 0.175 nan 8.210 nan 0.000 0.413 52 F N 2.063 121.696 119.950 -0.527 0.000 2.134 52 F HA -0.218 4.290 4.527 -0.031 0.000 0.299 52 F C 2.413 178.063 175.800 -0.251 0.000 1.097 52 F CA 1.749 59.467 58.000 -0.470 0.000 1.264 52 F CB -0.326 38.338 39.000 -0.560 0.000 1.001 52 F HN 0.028 nan 8.300 nan 0.000 0.479 53 E N -0.161 119.906 120.200 -0.220 0.000 2.085 53 E HA -0.194 4.137 4.350 -0.032 0.000 0.194 53 E C 2.456 178.898 176.600 -0.264 0.000 0.994 53 E CA 1.022 57.292 56.400 -0.217 0.000 0.801 53 E CB -0.770 28.936 29.700 0.011 0.000 0.743 53 E HN 0.577 nan 8.360 nan 0.000 0.453 54 G N 1.191 109.883 108.800 -0.180 0.000 2.448 54 G HA2 -0.240 3.701 3.960 -0.032 0.000 0.219 54 G HA3 -0.240 3.701 3.960 -0.032 0.000 0.219 54 G C 1.548 176.337 174.900 -0.184 0.000 1.127 54 G CA 0.492 45.512 45.100 -0.132 0.000 0.766 54 G HN 0.305 nan 8.290 nan 0.000 0.552 55 I N -0.262 120.135 120.570 -0.289 0.000 2.867 55 I HA 0.256 4.407 4.170 -0.032 0.000 0.265 55 I C 2.717 178.579 176.117 -0.426 0.000 1.162 55 I CA 1.002 62.135 61.300 -0.278 0.000 1.471 55 I CB 0.110 37.999 38.000 -0.186 0.000 1.123 55 I HN 0.151 nan 8.210 nan 0.000 0.440 56 A N 0.294 122.659 122.820 -0.759 0.000 2.014 56 A HA -0.193 4.109 4.320 -0.032 0.000 0.218 56 A C 2.012 179.207 177.584 -0.648 0.000 1.163 56 A CA 1.444 52.903 52.037 -0.964 0.000 0.652 56 A CB -0.501 17.415 19.000 -1.806 0.000 0.808 56 A HN 0.487 nan 8.150 nan 0.000 0.449 57 E N 0.239 120.199 120.200 -0.399 0.000 2.472 57 E HA -0.084 4.247 4.350 -0.032 0.000 0.200 57 E C 1.472 178.018 176.600 -0.089 0.000 1.046 57 E CA 0.719 57.048 56.400 -0.120 0.000 0.871 57 E CB -0.197 29.475 29.700 -0.046 0.000 0.806 57 E HN 0.704 nan 8.360 nan 0.000 0.533 58 Q N -0.198 119.519 119.800 -0.137 0.000 2.204 58 Q HA 0.143 4.464 4.340 -0.032 0.000 0.209 58 Q C -0.147 175.808 176.000 -0.076 0.000 0.861 58 Q CA -0.211 55.541 55.803 -0.085 0.000 0.971 58 Q CB 0.390 29.080 28.738 -0.079 0.000 1.095 58 Q HN 0.149 nan 8.270 nan 0.000 0.486 59 N N 1.372 120.019 118.700 -0.089 0.000 2.678 59 N HA -0.198 4.523 4.740 -0.032 0.000 0.249 59 N C -0.182 175.290 175.510 -0.062 0.000 1.119 59 N CA 0.957 53.971 53.050 -0.061 0.000 0.718 59 N CB -1.397 37.077 38.487 -0.022 0.000 1.060 59 N HN 0.562 nan 8.380 nan 0.000 0.552 60 I N -1.677 118.842 120.570 -0.086 0.000 2.662 60 I HA 0.431 4.582 4.170 -0.032 0.000 0.291 60 I C -1.817 174.271 176.117 -0.049 0.000 1.046 60 I CA -1.608 59.658 61.300 -0.057 0.000 1.361 60 I CB 0.775 38.744 38.000 -0.052 0.000 1.429 60 I HN -0.151 nan 8.210 nan 0.000 0.558 61 P HA 0.288 nan 4.420 nan 0.000 0.270 61 P C -0.908 176.415 177.300 0.039 0.000 1.242 61 P CA 0.393 63.491 63.100 -0.004 0.000 0.768 61 P CB 0.461 32.157 31.700 -0.006 0.000 0.820 62 I N 4.113 124.731 120.570 0.081 0.000 2.512 62 I HA 0.188 4.339 4.170 -0.032 0.000 0.287 62 I C 0.024 176.282 176.117 0.235 0.000 1.069 62 I CA -1.360 60.081 61.300 0.235 0.000 1.056 62 I CB 1.747 39.861 38.000 0.191 0.000 1.229 62 I HN 0.245 nan 8.210 nan 0.000 0.429 63 Y N 6.025 126.537 120.300 0.353 0.000 2.805 63 Y HA 0.202 4.733 4.550 -0.032 0.000 0.331 63 Y C 1.416 177.352 175.900 0.060 0.000 1.241 63 Y CA 1.482 59.680 58.100 0.164 0.000 1.546 63 Y CB 0.428 39.012 38.460 0.206 0.000 1.248 63 Y HN 0.873 nan 8.280 nan 0.000 0.559 64 G N 3.136 111.281 108.800 -1.092 0.000 2.189 64 G HA2 -0.315 3.626 3.960 -0.032 0.000 0.267 64 G HA3 -0.315 3.626 3.960 -0.032 0.000 0.267 64 G C 0.565 175.298 174.900 -0.278 0.000 0.975 64 G CA 0.699 45.276 45.100 -0.873 0.000 0.644 64 G HN 0.756 nan 8.290 nan 0.000 0.537 65 V N -0.076 119.755 119.914 -0.138 0.000 2.908 65 V HA 0.263 4.364 4.120 -0.032 0.000 0.240 65 V C 1.937 178.045 176.094 0.023 0.000 1.117 65 V CA 2.364 64.699 62.300 0.059 0.000 1.133 65 V CB 0.726 32.644 31.823 0.157 0.000 0.857 65 V HN 0.983 nan 8.190 nan 0.000 0.478 66 T N -1.566 112.953 114.554 -0.059 0.000 3.516 66 T HA 0.360 4.691 4.350 -0.032 0.000 0.300 66 T C 0.090 174.728 174.700 -0.105 0.000 0.995 66 T CA 0.395 62.464 62.100 -0.052 0.000 0.982 66 T CB 0.121 68.968 68.868 -0.036 0.000 1.199 66 T HN 0.520 nan 8.240 nan 0.000 0.481 67 T N -2.243 112.181 114.554 -0.217 0.000 2.816 67 T HA 0.771 5.102 4.350 -0.032 0.000 0.299 67 T C 0.472 174.896 174.700 -0.461 0.000 1.230 67 T CA -0.318 61.638 62.100 -0.240 0.000 1.007 67 T CB 1.328 70.114 68.868 -0.138 0.000 1.289 67 T HN 0.337 nan 8.240 nan 0.000 0.508 68 G N -0.424 108.147 108.800 -0.383 0.000 2.651 68 G HA2 0.506 4.447 3.960 -0.032 0.000 0.260 68 G HA3 0.506 4.447 3.960 -0.032 0.000 0.260 68 G C -1.218 173.350 174.900 -0.554 0.000 1.216 68 G CA -0.586 44.241 45.100 -0.454 0.000 0.913 68 G HN 0.636 nan 8.290 nan 0.000 0.535 69 Y N -0.389 119.856 120.300 -0.091 0.000 2.376 69 Y HA 0.492 5.024 4.550 -0.030 0.000 0.325 69 Y C 1.356 177.336 175.900 0.134 0.000 1.199 69 Y CA 0.440 58.541 58.100 0.001 0.000 1.206 69 Y CB 1.292 39.713 38.460 -0.065 0.000 1.229 69 Y HN 1.107 nan 8.280 nan 0.000 0.480 70 G N 1.488 110.550 108.800 0.436 0.000 2.652 70 G HA2 -0.490 3.452 3.960 -0.032 0.000 0.318 70 G HA3 -0.490 3.452 3.960 -0.032 0.000 0.318 70 G C 1.222 176.226 174.900 0.174 0.000 1.295 70 G CA 1.066 46.307 45.100 0.235 0.000 0.999 70 G HN 0.736 nan 8.290 nan 0.000 0.548 71 E N 0.453 120.738 120.200 0.141 0.000 2.160 71 E HA -0.022 4.310 4.350 -0.032 0.000 0.195 71 E C 2.494 179.170 176.600 0.126 0.000 0.991 71 E CA 2.003 58.502 56.400 0.164 0.000 0.810 71 E CB -0.279 29.524 29.700 0.173 0.000 0.742 71 E HN 0.529 nan 8.360 nan 0.000 0.466 72 M N 0.372 119.937 119.600 -0.059 0.000 2.686 72 M HA 0.136 4.597 4.480 -0.032 0.000 0.216 72 M C 1.512 177.516 176.300 -0.493 0.000 1.221 72 M CA 0.074 55.060 55.300 -0.524 0.000 0.992 72 M CB -0.002 32.403 32.600 -0.324 0.000 1.739 72 M HN 0.182 nan 8.290 nan 0.000 0.461 73 I N 0.375 120.851 120.570 -0.157 0.000 2.756 73 I HA -0.270 3.881 4.170 -0.032 0.000 0.262 73 I C 1.928 178.020 176.117 -0.043 0.000 1.225 73 I CA 1.274 62.570 61.300 -0.007 0.000 1.472 73 I CB 0.064 38.189 38.000 0.208 0.000 1.094 73 I HN 0.440 nan 8.210 nan 0.000 0.454 74 Y N -0.882 119.447 120.300 0.049 0.000 2.571 74 Y HA 0.154 4.685 4.550 -0.032 0.000 0.294 74 Y C 0.918 176.826 175.900 0.014 0.000 1.141 74 Y CA -0.260 57.858 58.100 0.029 0.000 1.308 74 Y CB -0.767 37.709 38.460 0.027 0.000 1.002 74 Y HN -0.031 nan 8.280 nan 0.000 0.551 75 M N 3.047 122.459 119.600 -0.312 0.000 2.108 75 M HA 0.174 4.635 4.480 -0.032 0.000 0.347 75 M C -0.634 175.604 176.300 -0.105 0.000 1.326 75 M CA -0.327 54.870 55.300 -0.171 0.000 1.126 75 M CB 0.782 33.219 32.600 -0.272 0.000 1.606 75 M HN 0.248 nan 8.290 nan 0.000 0.462 76 Q N 2.940 122.719 119.800 -0.034 0.000 2.286 76 Q HA 0.496 4.817 4.340 -0.032 0.000 0.257 76 Q C -0.511 175.465 176.000 -0.040 0.000 0.941 76 Q CA -0.225 55.559 55.803 -0.033 0.000 0.912 76 Q CB 1.371 30.108 28.738 -0.002 0.000 1.192 76 Q HN 0.446 nan 8.270 nan 0.000 0.410 77 V N 1.965 121.848 119.914 -0.052 0.000 2.555 77 V HA 0.195 4.296 4.120 -0.032 0.000 0.302 77 V C -0.125 175.963 176.094 -0.010 0.000 1.038 77 V CA -1.023 61.254 62.300 -0.038 0.000 0.887 77 V CB 2.133 33.919 31.823 -0.062 0.000 0.991 77 V HN 0.693 nan 8.190 nan 0.000 0.434 78 D N 2.469 122.872 120.400 0.004 0.000 2.372 78 D HA 0.158 4.779 4.640 -0.032 0.000 0.243 78 D C 1.373 177.706 176.300 0.055 0.000 1.121 78 D CA -0.201 53.812 54.000 0.021 0.000 0.898 78 D CB 1.120 41.929 40.800 0.014 0.000 1.202 78 D HN 0.691 nan 8.370 nan 0.000 0.428 79 K N 0.611 121.067 120.400 0.093 0.000 2.360 79 K HA -0.154 4.148 4.320 -0.032 0.000 0.201 79 K C 1.413 178.078 176.600 0.107 0.000 1.046 79 K CA 1.329 57.743 56.287 0.211 0.000 0.945 79 K CB -0.216 32.451 32.500 0.279 0.000 0.750 79 K HN 0.302 nan 8.250 nan 0.000 0.464 80 S N 0.420 116.147 115.700 0.045 0.000 2.547 80 S HA 0.010 4.461 4.470 -0.032 0.000 0.235 80 S C 1.255 175.840 174.600 -0.025 0.000 0.980 80 S CA 0.336 58.535 58.200 -0.001 0.000 0.941 80 S CB 0.016 63.217 63.200 0.000 0.000 0.763 80 S HN 0.215 nan 8.310 nan 0.000 0.532 81 K N 1.168 121.562 120.400 -0.010 0.000 2.372 81 K HA 0.263 4.564 4.320 -0.032 0.000 0.200 81 K C 1.497 178.072 176.600 -0.042 0.000 1.022 81 K CA 0.079 56.353 56.287 -0.022 0.000 1.125 81 K CB -0.091 32.406 32.500 -0.005 0.000 0.855 81 K HN 0.650 nan 8.250 nan 0.000 0.524 82 E N 0.988 121.131 120.200 -0.096 0.000 2.149 82 E HA -0.259 4.072 4.350 -0.032 0.000 0.215 82 E C 1.412 177.914 176.600 -0.163 0.000 1.055 82 E CA 2.110 58.379 56.400 -0.219 0.000 0.870 82 E CB 0.167 29.438 29.700 -0.715 0.000 0.764 82 E HN -0.005 nan 8.360 nan 0.000 0.463 83 V N 0.514 120.335 119.914 -0.156 0.000 2.346 83 V HA -0.157 3.944 4.120 -0.032 0.000 0.244 83 V C 2.411 178.474 176.094 -0.051 0.000 1.037 83 V CA 1.918 64.156 62.300 -0.104 0.000 1.029 83 V CB -0.554 31.207 31.823 -0.103 0.000 0.663 83 V HN 0.329 nan 8.190 nan 0.000 0.454 84 E N 0.055 120.230 120.200 -0.041 0.000 2.058 84 E HA -0.283 4.048 4.350 -0.032 0.000 0.194 84 E C 2.214 178.820 176.600 0.011 0.000 0.997 84 E CA 1.715 58.105 56.400 -0.017 0.000 0.801 84 E CB -0.134 29.557 29.700 -0.014 0.000 0.746 84 E HN 0.395 nan 8.360 nan 0.000 0.450 85 L N 1.357 122.594 121.223 0.024 0.000 1.971 85 L HA -0.284 4.037 4.340 -0.032 0.000 0.215 85 L C 2.369 179.314 176.870 0.125 0.000 1.072 85 L CA 1.954 56.841 54.840 0.078 0.000 0.758 85 L CB -0.583 41.512 42.059 0.061 0.000 0.889 85 L HN 0.154 nan 8.230 nan 0.000 0.433 86 Q N -0.931 118.920 119.800 0.084 0.000 2.135 86 Q HA -0.164 4.157 4.340 -0.032 0.000 0.204 86 Q C 2.122 178.112 176.000 -0.017 0.000 0.981 86 Q CA 2.189 58.020 55.803 0.047 0.000 0.856 86 Q CB -0.857 27.895 28.738 0.023 0.000 0.902 86 Q HN 0.612 nan 8.270 nan 0.000 0.425 87 T N 1.510 116.057 114.554 -0.013 0.000 2.896 87 T HA -0.026 4.305 4.350 -0.032 0.000 0.263 87 T C 1.531 176.218 174.700 -0.022 0.000 1.050 87 T CA 0.895 62.978 62.100 -0.028 0.000 1.140 87 T CB -0.080 68.772 68.868 -0.027 0.000 0.877 87 T HN 0.232 nan 8.240 nan 0.000 0.457 88 N N 1.469 120.171 118.700 0.003 0.000 2.244 88 N HA -0.012 4.709 4.740 -0.032 0.000 0.183 88 N C 1.774 177.292 175.510 0.013 0.000 1.016 88 N CA 0.527 53.588 53.050 0.018 0.000 0.866 88 N CB -0.550 37.965 38.487 0.046 0.000 0.980 88 N HN 0.244 nan 8.380 nan 0.000 0.430 89 L N 0.932 122.131 121.223 -0.040 0.000 1.989 89 L HA -0.088 4.233 4.340 -0.032 0.000 0.211 89 L C 1.973 178.750 176.870 -0.156 0.000 1.071 89 L CA 1.477 56.186 54.840 -0.218 0.000 0.749 89 L CB -0.720 40.988 42.059 -0.586 0.000 0.890 89 L HN -0.106 nan 8.230 nan 0.000 0.431 90 V N -0.107 119.727 119.914 -0.134 0.000 2.427 90 V HA -0.234 3.867 4.120 -0.032 0.000 0.248 90 V C 2.743 178.805 176.094 -0.053 0.000 1.051 90 V CA 1.977 64.219 62.300 -0.096 0.000 1.048 90 V CB -0.656 31.113 31.823 -0.089 0.000 0.666 90 V HN 0.452 nan 8.190 nan 0.000 0.456 91 R N 0.767 121.244 120.500 -0.038 0.000 2.064 91 R HA -0.118 4.203 4.340 -0.032 0.000 0.228 91 R C 2.623 178.911 176.300 -0.020 0.000 1.144 91 R CA 1.744 57.821 56.100 -0.038 0.000 0.932 91 R CB -0.731 29.553 30.300 -0.027 0.000 0.833 91 R HN 0.646 nan 8.270 nan 0.000 0.429 92 S N 0.106 115.816 115.700 0.018 0.000 2.465 92 S HA -0.160 4.291 4.470 -0.032 0.000 0.241 92 S C 1.248 175.807 174.600 -0.068 0.000 1.000 92 S CA 1.341 59.540 58.200 -0.001 0.000 0.964 92 S CB -0.324 62.895 63.200 0.032 0.000 0.763 92 S HN 0.405 nan 8.310 nan 0.000 0.512 93 H N 0.600 119.620 119.070 -0.084 0.000 2.551 93 H HA 0.425 4.962 4.556 -0.032 0.000 0.271 93 H C 0.196 175.494 175.328 -0.050 0.000 0.984 93 H CA 0.071 56.076 56.048 -0.071 0.000 1.164 93 H CB 0.327 30.025 29.762 -0.107 0.000 1.437 93 H HN 0.294 nan 8.280 nan 0.000 0.550 94 S N 0.984 116.662 115.700 -0.037 0.000 4.087 94 S HA 0.376 4.827 4.470 -0.032 0.000 0.213 94 S C 0.835 175.429 174.600 -0.010 0.000 1.415 94 S CA 0.071 58.140 58.200 -0.219 0.000 0.893 94 S CB 0.017 62.904 63.200 -0.521 0.000 1.529 94 S HN 0.477 nan 8.310 nan 0.000 0.457 95 A N 1.551 124.465 122.820 0.156 0.000 2.606 95 A HA 0.578 4.879 4.320 -0.032 0.000 0.290 95 A C 1.032 178.710 177.584 0.158 0.000 1.174 95 A CA -0.403 51.710 52.037 0.127 0.000 0.958 95 A CB -0.006 19.000 19.000 0.011 0.000 1.194 95 A HN 0.628 nan 8.150 nan 0.000 0.526 96 G N 0.032 109.005 108.800 0.288 0.000 2.554 96 G HA2 0.467 4.408 3.960 -0.032 0.000 0.238 96 G HA3 0.467 4.408 3.960 -0.032 0.000 0.238 96 G C 0.177 175.050 174.900 -0.044 0.000 1.259 96 G CA 0.656 45.769 45.100 0.021 0.000 0.843 96 G HN 1.226 nan 8.290 nan 0.000 0.582 97 V N -0.664 119.205 119.914 -0.074 0.000 3.167 97 V HA 1.030 5.131 4.120 -0.032 0.000 0.310 97 V C 0.752 176.778 176.094 -0.113 0.000 1.207 97 V CA 0.177 62.430 62.300 -0.078 0.000 1.059 97 V CB 1.084 32.880 31.823 -0.046 0.000 1.079 97 V HN 2.571 nan 8.190 nan 0.000 0.446 98 G N 1.018 109.754 108.800 -0.106 0.000 2.698 98 G HA2 -0.024 3.918 3.960 -0.032 0.000 0.225 98 G HA3 -0.024 3.918 3.960 -0.032 0.000 0.225 98 G C -2.859 171.948 174.900 -0.154 0.000 1.345 98 G CA -0.271 44.755 45.100 -0.124 0.000 0.871 98 G HN 1.038 nan 8.290 nan 0.000 0.540 99 P HA 0.449 nan 4.420 nan 0.000 0.269 99 P C 0.225 177.380 177.300 -0.241 0.000 1.215 99 P CA -0.295 62.697 63.100 -0.180 0.000 0.780 99 P CB 0.347 31.942 31.700 -0.175 0.000 0.898 100 L N 2.144 123.266 121.223 -0.169 0.000 2.350 100 L HA 0.350 4.671 4.340 -0.032 0.000 0.275 100 L C 0.626 177.438 176.870 -0.096 0.000 1.099 100 L CA -0.628 54.138 54.840 -0.123 0.000 0.808 100 L CB 0.078 42.109 42.059 -0.046 0.000 1.149 100 L HN 0.296 nan 8.230 nan 0.000 0.442 101 F N 1.055 120.986 119.950 -0.031 0.000 2.490 101 F HA 0.241 4.768 4.527 -0.000 0.000 0.336 101 F C 1.089 176.886 175.800 -0.006 0.000 1.178 101 F CA 0.017 58.008 58.000 -0.015 0.000 1.301 101 F CB 0.638 39.633 39.000 -0.009 0.000 1.175 101 F HN 0.552 nan 8.300 nan 0.000 0.593 102 A N 1.660 124.616 122.820 0.227 0.000 2.280 102 A HA 0.170 4.471 4.320 -0.032 0.000 0.268 102 A C 1.326 178.973 177.584 0.105 0.000 1.111 102 A CA -0.396 51.714 52.037 0.122 0.000 0.814 102 A CB 0.197 19.252 19.000 0.092 0.000 1.093 102 A HN 0.888 nan 8.150 nan 0.000 0.498 103 E N 0.281 120.521 120.200 0.067 0.000 2.049 103 E HA -0.258 4.073 4.350 -0.032 0.000 0.198 103 E C 1.425 178.048 176.600 0.037 0.000 1.007 103 E CA 1.748 58.178 56.400 0.050 0.000 0.809 103 E CB -0.257 29.465 29.700 0.035 0.000 0.749 103 E HN 0.856 nan 8.360 nan 0.000 0.450 104 D N 0.878 121.298 120.400 0.034 0.000 2.149 104 D HA -0.215 4.406 4.640 -0.032 0.000 0.198 104 D C 1.509 177.809 176.300 0.000 0.000 0.990 104 D CA 1.272 55.284 54.000 0.019 0.000 0.839 104 D CB -0.507 40.307 40.800 0.024 0.000 0.948 104 D HN 0.317 nan 8.370 nan 0.000 0.460 105 E N 0.807 121.013 120.200 0.009 0.000 2.072 105 E HA -0.006 4.326 4.350 -0.032 0.000 0.190 105 E C 2.342 178.840 176.600 -0.170 0.000 0.982 105 E CA 1.067 57.425 56.400 -0.070 0.000 0.803 105 E CB -0.179 29.528 29.700 0.012 0.000 0.755 105 E HN 0.391 nan 8.360 nan 0.000 0.453 106 A N 1.515 124.285 122.820 -0.083 0.000 1.933 106 A HA -0.177 4.124 4.320 -0.032 0.000 0.218 106 A C 2.067 179.621 177.584 -0.050 0.000 1.175 106 A CA 1.221 53.211 52.037 -0.077 0.000 0.628 106 A CB -0.336 18.683 19.000 0.032 0.000 0.814 106 A HN 0.054 nan 8.150 nan 0.000 0.444 107 R N -0.583 119.903 120.500 -0.022 0.000 2.075 107 R HA -0.046 4.275 4.340 -0.032 0.000 0.232 107 R C 2.494 178.777 176.300 -0.029 0.000 1.126 107 R CA 1.176 57.272 56.100 -0.008 0.000 0.963 107 R CB -0.463 29.840 30.300 0.006 0.000 0.858 107 R HN 0.494 nan 8.270 nan 0.000 0.435 108 A N 1.151 123.942 122.820 -0.048 0.000 1.978 108 A HA -0.157 4.144 4.320 -0.032 0.000 0.220 108 A C 2.113 179.654 177.584 -0.073 0.000 1.170 108 A CA 1.271 53.276 52.037 -0.054 0.000 0.636 108 A CB -0.501 18.463 19.000 -0.061 0.000 0.810 108 A HN 0.199 nan 8.150 nan 0.000 0.448 109 I N -0.602 119.901 120.570 -0.112 0.000 2.202 109 I HA -0.191 3.961 4.170 -0.032 0.000 0.242 109 I C 2.307 178.385 176.117 -0.066 0.000 1.091 109 I CA 1.161 62.390 61.300 -0.119 0.000 1.368 109 I CB -0.364 37.522 38.000 -0.189 0.000 1.058 109 I HN 0.151 nan 8.210 nan 0.000 0.410 110 V N 1.128 121.016 119.914 -0.045 0.000 2.427 110 V HA -0.260 3.841 4.120 -0.032 0.000 0.248 110 V C 2.718 178.796 176.094 -0.025 0.000 1.051 110 V CA 1.841 64.126 62.300 -0.025 0.000 1.048 110 V CB -1.068 30.757 31.823 0.003 0.000 0.666 110 V HN 0.474 nan 8.190 nan 0.000 0.456 111 A N 0.297 123.104 122.820 -0.022 0.000 1.877 111 A HA -0.136 4.165 4.320 -0.032 0.000 0.216 111 A C 2.440 180.011 177.584 -0.022 0.000 1.186 111 A CA 2.147 54.173 52.037 -0.017 0.000 0.620 111 A CB -0.843 18.149 19.000 -0.013 0.000 0.822 111 A HN 0.573 nan 8.150 nan 0.000 0.443 112 A N -0.740 122.064 122.820 -0.028 0.000 1.972 112 A HA -0.130 4.171 4.320 -0.032 0.000 0.219 112 A C 2.181 179.751 177.584 -0.023 0.000 1.169 112 A CA 2.056 54.078 52.037 -0.025 0.000 0.635 112 A CB -0.393 18.588 19.000 -0.032 0.000 0.810 112 A HN 0.436 nan 8.150 nan 0.000 0.446 113 R N -0.587 119.896 120.500 -0.029 0.000 2.073 113 R HA -0.040 4.281 4.340 -0.032 0.000 0.229 113 R C 1.937 178.219 176.300 -0.031 0.000 1.120 113 R CA 1.442 57.525 56.100 -0.028 0.000 0.967 113 R CB -0.810 29.469 30.300 -0.034 0.000 0.862 113 R HN 0.448 nan 8.270 nan 0.000 0.436 114 L N 0.831 122.034 121.223 -0.034 0.000 2.046 114 L HA -0.107 4.214 4.340 -0.032 0.000 0.208 114 L C 1.635 178.488 176.870 -0.029 0.000 1.077 114 L CA 2.151 56.970 54.840 -0.036 0.000 0.747 114 L CB -1.046 40.993 42.059 -0.033 0.000 0.896 114 L HN 0.270 nan 8.230 nan 0.000 0.432 115 N N -1.534 117.154 118.700 -0.021 0.000 2.223 115 N HA -0.166 4.555 4.740 -0.032 0.000 0.185 115 N C 1.602 177.104 175.510 -0.013 0.000 1.016 115 N CA 1.708 54.749 53.050 -0.015 0.000 0.863 115 N CB -0.080 38.401 38.487 -0.010 0.000 0.983 115 N HN 0.458 nan 8.380 nan 0.000 0.429 116 T N 0.552 115.099 114.554 -0.012 0.000 2.674 116 T HA -0.054 4.277 4.350 -0.032 0.000 0.265 116 T C 1.797 176.490 174.700 -0.011 0.000 1.039 116 T CA 1.021 63.119 62.100 -0.003 0.000 1.150 116 T CB -0.307 68.561 68.868 -0.000 0.000 0.864 116 T HN 0.180 nan 8.240 nan 0.000 0.427 117 L N 0.859 122.066 121.223 -0.027 0.000 2.201 117 L HA -0.003 4.318 4.340 -0.032 0.000 0.212 117 L C 2.913 179.751 176.870 -0.054 0.000 1.105 117 L CA 0.906 55.720 54.840 -0.044 0.000 0.775 117 L CB -0.682 41.346 42.059 -0.051 0.000 0.913 117 L HN 0.243 nan 8.230 nan 0.000 0.440 118 A N -0.165 122.629 122.820 -0.044 0.000 2.168 118 A HA -0.178 4.123 4.320 -0.032 0.000 0.215 118 A C 2.341 179.890 177.584 -0.057 0.000 1.152 118 A CA 1.069 53.078 52.037 -0.047 0.000 0.716 118 A CB -0.350 18.631 19.000 -0.032 0.000 0.794 118 A HN 0.300 nan 8.150 nan 0.000 0.465 119 K N -1.062 119.307 120.400 -0.050 0.000 2.283 119 K HA 0.021 4.322 4.320 -0.032 0.000 0.202 119 K C 1.222 177.698 176.600 -0.207 0.000 1.048 119 K CA 0.952 57.205 56.287 -0.057 0.000 0.948 119 K CB -0.243 32.278 32.500 0.036 0.000 0.742 119 K HN 0.676 nan 8.250 nan 0.000 0.458 120 G N 0.203 108.876 108.800 -0.211 0.000 2.176 120 G HA2 -0.236 3.705 3.960 -0.032 0.000 0.232 120 G HA3 -0.236 3.705 3.960 -0.032 0.000 0.232 120 G C 0.098 174.766 174.900 -0.387 0.000 0.986 120 G CA 0.499 45.419 45.100 -0.300 0.000 0.643 120 G HN 0.574 nan 8.290 nan 0.000 0.522 121 H N 0.107 119.114 119.070 -0.105 0.000 2.505 121 H HA 0.491 5.028 4.556 -0.032 0.000 0.289 121 H C 1.913 177.128 175.328 -0.188 0.000 1.052 121 H CA 0.682 56.608 56.048 -0.203 0.000 1.156 121 H CB 0.812 30.335 29.762 -0.398 0.000 1.507 121 H HN 0.307 nan 8.280 nan 0.000 0.548 122 S N 0.233 115.879 115.700 -0.089 0.000 2.511 122 S HA 0.274 4.725 4.470 -0.032 0.000 0.214 122 S C 1.423 175.868 174.600 -0.258 0.000 0.997 122 S CA 0.413 58.533 58.200 -0.133 0.000 0.908 122 S CB 0.560 63.705 63.200 -0.092 0.000 0.803 122 S HN 0.593 nan 8.310 nan 0.000 0.504 123 A N 0.962 123.619 122.820 -0.272 0.000 2.869 123 A HA -0.134 4.167 4.320 -0.032 0.000 0.280 123 A C 0.294 177.726 177.584 -0.253 0.000 1.458 123 A CA 0.347 52.148 52.037 -0.393 0.000 0.776 123 A CB -2.331 16.087 19.000 -0.971 0.000 1.028 123 A HN 0.301 nan 8.150 nan 0.000 0.547 124 V N 0.282 120.103 119.914 -0.155 0.000 2.743 124 V HA 0.408 4.509 4.120 -0.032 0.000 0.301 124 V C 1.273 177.332 176.094 -0.059 0.000 1.057 124 V CA -0.636 61.610 62.300 -0.089 0.000 1.006 124 V CB 1.536 33.310 31.823 -0.082 0.000 1.024 124 V HN 0.635 nan 8.190 nan 0.000 0.473 125 R N 3.607 124.089 120.500 -0.031 0.000 2.594 125 R HA 0.185 4.506 4.340 -0.032 0.000 0.272 125 R C -1.743 174.536 176.300 -0.035 0.000 1.074 125 R CA -1.248 54.838 56.100 -0.023 0.000 1.105 125 R CB 0.268 30.561 30.300 -0.010 0.000 1.008 125 R HN 0.454 nan 8.270 nan 0.000 0.472 126 P HA -0.163 nan 4.420 nan 0.000 0.221 126 P C 1.000 178.280 177.300 -0.033 0.000 1.145 126 P CA 0.760 63.840 63.100 -0.033 0.000 0.795 126 P CB 0.119 31.803 31.700 -0.025 0.000 0.775 127 I N -0.699 119.852 120.570 -0.031 0.000 2.264 127 I HA -0.217 3.934 4.170 -0.032 0.000 0.248 127 I C 1.896 177.983 176.117 -0.050 0.000 1.111 127 I CA 1.473 62.753 61.300 -0.032 0.000 1.382 127 I CB -0.645 37.339 38.000 -0.027 0.000 1.060 127 I HN -0.127 nan 8.210 nan 0.000 0.418 128 I N -0.484 120.051 120.570 -0.058 0.000 2.252 128 I HA -0.293 3.859 4.170 -0.032 0.000 0.245 128 I C 2.378 178.442 176.117 -0.089 0.000 1.102 128 I CA 1.192 62.442 61.300 -0.083 0.000 1.385 128 I CB -0.364 37.590 38.000 -0.076 0.000 1.064 128 I HN 0.209 nan 8.210 nan 0.000 0.414 129 L N 0.374 121.557 121.223 -0.067 0.000 2.042 129 L HA -0.235 4.087 4.340 -0.032 0.000 0.210 129 L C 2.483 179.321 176.870 -0.054 0.000 1.076 129 L CA 1.595 56.400 54.840 -0.059 0.000 0.749 129 L CB -0.693 41.338 42.059 -0.047 0.000 0.893 129 L HN 0.257 nan 8.230 nan 0.000 0.432 130 E N -0.490 119.683 120.200 -0.045 0.000 2.058 130 E HA -0.208 4.123 4.350 -0.032 0.000 0.194 130 E C 2.425 179.005 176.600 -0.033 0.000 0.997 130 E CA 0.794 57.177 56.400 -0.029 0.000 0.801 130 E CB -0.020 29.669 29.700 -0.019 0.000 0.746 130 E HN 0.248 nan 8.360 nan 0.000 0.450 131 R N 0.692 121.148 120.500 -0.073 0.000 2.070 131 R HA -0.109 4.212 4.340 -0.032 0.000 0.233 131 R C 2.464 178.633 176.300 -0.218 0.000 1.137 131 R CA 1.045 57.066 56.100 -0.131 0.000 0.945 131 R CB -0.923 29.239 30.300 -0.230 0.000 0.845 131 R HN 0.253 nan 8.270 nan 0.000 0.430 132 L N 0.062 121.146 121.223 -0.231 0.000 2.013 132 L HA -0.210 4.111 4.340 -0.032 0.000 0.212 132 L C 2.574 179.418 176.870 -0.043 0.000 1.073 132 L CA 1.694 56.419 54.840 -0.191 0.000 0.753 132 L CB -0.675 41.306 42.059 -0.131 0.000 0.890 132 L HN 0.191 nan 8.230 nan 0.000 0.432 133 A N -1.047 121.760 122.820 -0.021 0.000 1.969 133 A HA -0.247 4.054 4.320 -0.032 0.000 0.218 133 A C 2.251 179.871 177.584 0.059 0.000 1.169 133 A CA 1.572 53.619 52.037 0.016 0.000 0.635 133 A CB -0.452 18.550 19.000 0.003 0.000 0.810 133 A HN 0.499 nan 8.150 nan 0.000 0.445 134 Q N -1.572 118.280 119.800 0.087 0.000 2.016 134 Q HA -0.202 4.119 4.340 -0.032 0.000 0.200 134 Q C 1.837 177.968 176.000 0.219 0.000 0.978 134 Q CA 1.709 57.597 55.803 0.141 0.000 0.833 134 Q CB -0.285 28.558 28.738 0.174 0.000 0.895 134 Q HN 0.694 nan 8.270 nan 0.000 0.427 135 Y N 0.774 121.072 120.300 -0.004 0.000 2.139 135 Y HA -0.285 4.246 4.550 -0.033 0.000 0.282 135 Y C 2.130 178.030 175.900 0.000 0.000 1.179 135 Y CA 1.164 59.263 58.100 -0.001 0.000 1.161 135 Y CB -0.618 37.843 38.460 0.000 0.000 0.970 135 Y HN 0.167 nan 8.280 nan 0.000 0.511 136 L N -0.374 120.950 121.223 0.169 0.000 2.027 136 L HA -0.239 4.082 4.340 -0.032 0.000 0.206 136 L C 2.044 178.947 176.870 0.055 0.000 1.074 136 L CA 1.394 56.286 54.840 0.086 0.000 0.745 136 L CB -0.504 41.590 42.059 0.057 0.000 0.898 136 L HN 0.216 nan 8.230 nan 0.000 0.433 137 N N -0.192 118.540 118.700 0.053 0.000 2.396 137 N HA -0.141 4.581 4.740 -0.032 0.000 0.180 137 N C 1.229 176.753 175.510 0.024 0.000 1.028 137 N CA 0.974 54.044 53.050 0.033 0.000 0.893 137 N CB 0.054 38.559 38.487 0.030 0.000 0.967 137 N HN 0.479 nan 8.380 nan 0.000 0.440 138 E N -0.533 119.682 120.200 0.026 0.000 2.481 138 E HA 0.171 4.502 4.350 -0.032 0.000 0.198 138 E C 0.348 176.936 176.600 -0.021 0.000 1.027 138 E CA -0.153 56.246 56.400 -0.001 0.000 0.900 138 E CB 0.471 30.164 29.700 -0.011 0.000 0.993 138 E HN 0.273 nan 8.360 nan 0.000 0.482 139 G N 2.196 110.993 108.800 -0.007 0.000 2.160 139 G HA2 -0.271 3.670 3.960 -0.032 0.000 0.244 139 G HA3 -0.271 3.670 3.960 -0.032 0.000 0.244 139 G C 0.141 175.016 174.900 -0.042 0.000 1.022 139 G CA -0.118 44.974 45.100 -0.013 0.000 0.741 139 G HN 0.246 nan 8.290 nan 0.000 0.508 140 I N 2.144 122.665 120.570 -0.081 0.000 2.269 140 I HA 0.218 4.369 4.170 -0.032 0.000 0.293 140 I C 0.376 176.468 176.117 -0.041 0.000 1.106 140 I CA -0.098 61.095 61.300 -0.180 0.000 1.248 140 I CB 0.801 38.451 38.000 -0.582 0.000 1.444 140 I HN 0.013 nan 8.210 nan 0.000 0.497 141 T N 7.557 122.111 114.554 -0.000 0.000 2.744 141 T HA 0.299 4.630 4.350 -0.032 0.000 0.291 141 T C -2.343 172.408 174.700 0.084 0.000 0.957 141 T CA -1.363 60.771 62.100 0.057 0.000 1.002 141 T CB 1.129 70.025 68.868 0.046 0.000 0.919 141 T HN 0.220 nan 8.240 nan 0.000 0.468 142 P HA 0.270 nan 4.420 nan 0.000 0.269 142 P C -0.978 176.407 177.300 0.142 0.000 1.209 142 P CA -0.433 62.757 63.100 0.150 0.000 0.776 142 P CB 0.438 32.235 31.700 0.161 0.000 0.876 143 A N 4.197 127.118 122.820 0.168 0.000 2.391 143 A HA 0.382 4.683 4.320 -0.032 0.000 0.316 143 A C -0.008 177.660 177.584 0.139 0.000 1.381 143 A CA -0.405 51.719 52.037 0.144 0.000 0.998 143 A CB -0.875 18.221 19.000 0.159 0.000 1.147 143 A HN 0.452 nan 8.150 nan 0.000 0.545 144 I N 4.311 124.963 120.570 0.136 0.000 2.306 144 I HA 0.246 4.397 4.170 -0.032 0.000 0.288 144 I C -2.416 173.741 176.117 0.067 0.000 1.036 144 I CA -2.163 59.220 61.300 0.138 0.000 1.221 144 I CB 1.695 39.861 38.000 0.276 0.000 1.385 144 I HN 0.346 nan 8.210 nan 0.000 0.472 145 P HA 0.072 nan 4.420 nan 0.000 0.268 145 P C 0.366 177.537 177.300 -0.216 0.000 1.204 145 P CA 0.008 62.955 63.100 -0.255 0.000 0.768 145 P CB 0.788 32.259 31.700 -0.382 0.000 0.842 146 E N 1.727 121.665 120.200 -0.436 0.000 2.106 146 E HA -0.085 4.246 4.350 -0.032 0.000 0.192 146 E C 0.813 177.289 176.600 -0.206 0.000 0.984 146 E CA 0.598 56.621 56.400 -0.628 0.000 0.806 146 E CB -0.026 29.176 29.700 -0.830 0.000 0.750 146 E HN 0.435 nan 8.360 nan 0.000 0.458 147 I N -0.759 119.717 120.570 -0.156 0.000 3.079 147 I HA 0.078 4.229 4.170 -0.032 0.000 0.295 147 I C 1.372 177.472 176.117 -0.027 0.000 1.094 147 I CA 0.889 62.143 61.300 -0.076 0.000 1.295 147 I CB 1.057 39.012 38.000 -0.076 0.000 1.443 147 I HN 0.262 nan 8.210 nan 0.000 0.607 148 G N 1.913 110.709 108.800 -0.007 0.000 2.184 148 G HA2 -0.221 3.720 3.960 -0.032 0.000 0.206 148 G HA3 -0.221 3.720 3.960 -0.032 0.000 0.206 148 G C 0.200 175.113 174.900 0.021 0.000 0.995 148 G CA 0.082 45.185 45.100 0.006 0.000 0.651 148 G HN 0.843 nan 8.290 nan 0.000 0.511 149 S N -0.295 115.423 115.700 0.029 0.000 2.617 149 S HA 0.760 5.211 4.470 -0.032 0.000 0.283 149 S C 0.995 175.599 174.600 0.007 0.000 1.189 149 S CA -0.508 57.707 58.200 0.026 0.000 1.036 149 S CB 1.732 64.956 63.200 0.040 0.000 1.014 149 S HN 0.500 nan 8.310 nan 0.000 0.522 150 L N 2.385 123.602 121.223 -0.011 0.000 2.693 150 L HA 0.378 4.699 4.340 -0.032 0.000 0.235 150 L C 1.411 178.246 176.870 -0.058 0.000 1.127 150 L CA 0.148 54.972 54.840 -0.027 0.000 0.914 150 L CB -0.801 41.240 42.059 -0.030 0.000 1.193 150 L HN 1.171 nan 8.230 nan 0.000 0.502 156 L N 0.546 121.777 121.223 0.014 0.000 1.970 156 L HA -0.157 4.164 4.340 -0.032 0.000 0.212 156 L C 2.715 179.636 176.870 0.085 0.000 1.071 156 L CA 2.092 56.950 54.840 0.030 0.000 0.751 156 L CB -0.377 41.717 42.059 0.058 0.000 0.889 156 L HN 0.234 nan 8.230 nan 0.000 0.432 157 A N 0.392 123.278 122.820 0.110 0.000 1.859 157 A HA -0.172 4.129 4.320 -0.032 0.000 0.217 157 A C 0.041 177.770 177.584 0.241 0.000 1.198 157 A CA 2.216 54.356 52.037 0.171 0.000 0.629 157 A CB -2.023 17.054 19.000 0.128 0.000 0.830 157 A HN 0.297 nan 8.150 nan 0.000 0.446 158 P HA -0.151 nan 4.420 nan 0.000 0.215 158 P C 1.463 178.855 177.300 0.154 0.000 1.157 158 P CA 1.067 64.262 63.100 0.157 0.000 0.868 158 P CB -0.204 31.581 31.700 0.143 0.000 0.788 159 L N -1.249 120.031 121.223 0.095 0.000 2.141 159 L HA -0.116 4.205 4.340 -0.032 0.000 0.209 159 L C 2.320 179.226 176.870 0.061 0.000 1.094 159 L CA 1.345 56.218 54.840 0.056 0.000 0.763 159 L CB -0.994 41.074 42.059 0.015 0.000 0.908 159 L HN 0.003 nan 8.230 nan 0.000 0.437 160 S N -1.245 114.504 115.700 0.081 0.000 2.402 160 S HA -0.173 4.278 4.470 -0.032 0.000 0.229 160 S C 1.806 176.418 174.600 0.019 0.000 1.021 160 S CA 0.982 59.200 58.200 0.029 0.000 0.974 160 S CB -0.272 62.947 63.200 0.032 0.000 0.800 160 S HN 0.486 nan 8.310 nan 0.000 0.484 161 H N 0.337 119.439 119.070 0.053 0.000 2.423 161 H HA 0.050 4.591 4.556 -0.024 0.000 0.297 161 H C 2.013 177.385 175.328 0.073 0.000 1.075 161 H CA 1.267 57.361 56.048 0.077 0.000 1.342 161 H CB -0.197 29.624 29.762 0.098 0.000 1.395 161 H HN 0.144 nan 8.280 nan 0.000 0.530 162 V N 0.304 120.316 119.914 0.165 0.000 2.323 162 V HA -0.217 3.884 4.120 -0.032 0.000 0.244 162 V C 2.563 178.685 176.094 0.046 0.000 1.041 162 V CA 1.566 63.928 62.300 0.104 0.000 1.025 162 V CB -0.990 30.871 31.823 0.062 0.000 0.656 162 V HN 0.562 nan 8.190 nan 0.000 0.451 163 A N -0.416 122.410 122.820 0.009 0.000 1.978 163 A HA -0.240 4.061 4.320 -0.032 0.000 0.220 163 A C 2.476 180.046 177.584 -0.025 0.000 1.170 163 A CA 2.280 54.298 52.037 -0.032 0.000 0.636 163 A CB -0.711 18.259 19.000 -0.049 0.000 0.810 163 A HN 0.501 nan 8.150 nan 0.000 0.448 164 S N -0.341 115.352 115.700 -0.011 0.000 2.353 164 S HA -0.185 4.266 4.470 -0.032 0.000 0.222 164 S C 2.267 176.878 174.600 0.017 0.000 1.035 164 S CA 2.131 60.321 58.200 -0.018 0.000 1.025 164 S CB -0.756 62.421 63.200 -0.039 0.000 0.902 164 S HN 0.927 nan 8.310 nan 0.000 0.440 165 T N 0.225 114.823 114.554 0.074 0.000 2.977 165 T HA -0.010 4.322 4.350 -0.032 0.000 0.271 165 T C 1.548 176.366 174.700 0.197 0.000 1.105 165 T CA 0.730 62.921 62.100 0.151 0.000 1.116 165 T CB -0.338 68.681 68.868 0.253 0.000 0.878 165 T HN 0.110 nan 8.240 nan 0.000 0.509 166 L N 1.312 122.567 121.223 0.053 0.000 2.217 166 L HA 0.350 4.671 4.340 -0.032 0.000 0.211 166 L C 2.067 178.937 176.870 0.001 0.000 1.107 166 L CA 1.108 55.916 54.840 -0.053 0.000 0.783 166 L CB -0.271 41.700 42.059 -0.146 0.000 0.919 166 L HN 0.605 nan 8.230 nan 0.000 0.442 167 I N -4.699 115.873 120.570 0.003 0.000 3.889 167 I HA 0.468 4.619 4.170 -0.032 0.000 0.332 167 I C 1.199 177.316 176.117 -0.001 0.000 1.493 167 I CA 0.440 61.736 61.300 -0.007 0.000 1.158 167 I CB -0.496 37.488 38.000 -0.028 0.000 1.117 167 I HN 0.213 nan 8.210 nan 0.000 0.411 168 G N 1.281 110.094 108.800 0.023 0.000 2.162 168 G HA2 -0.245 3.696 3.960 -0.032 0.000 0.260 168 G HA3 -0.245 3.696 3.960 -0.032 0.000 0.260 168 G C -0.074 174.801 174.900 -0.041 0.000 0.976 168 G CA 0.461 45.561 45.100 0.000 0.000 0.655 168 G HN 0.663 nan 8.290 nan 0.000 0.533 169 E N -0.753 119.420 120.200 -0.045 0.000 2.390 169 E HA 0.648 4.979 4.350 -0.032 0.000 0.249 169 E C 1.095 177.631 176.600 -0.107 0.000 0.981 169 E CA -0.677 55.669 56.400 -0.091 0.000 0.860 169 E CB 1.116 30.771 29.700 -0.074 0.000 1.278 169 E HN 1.351 nan 8.360 nan 0.000 0.416 170 G N -0.401 108.303 108.800 -0.160 0.000 2.539 170 G HA2 -0.270 3.671 3.960 -0.032 0.000 0.256 170 G HA3 -0.270 3.671 3.960 -0.032 0.000 0.256 170 G C -1.204 173.516 174.900 -0.300 0.000 1.233 170 G CA 0.038 45.085 45.100 -0.088 0.000 0.936 170 G HN 0.394 nan 8.290 nan 0.000 0.571 171 Y N -1.322 119.026 120.300 0.080 0.000 2.562 171 Y HA 0.592 5.127 4.550 -0.026 0.000 0.345 171 Y C 0.559 176.501 175.900 0.071 0.000 1.045 171 Y CA -0.345 57.795 58.100 0.067 0.000 1.028 171 Y CB 2.139 40.641 38.460 0.069 0.000 1.297 171 Y HN 1.087 nan 8.280 nan 0.000 0.463 172 V N 0.879 120.907 119.914 0.191 0.000 2.769 172 V HA 0.738 4.839 4.120 -0.032 0.000 0.312 172 V C -1.177 174.984 176.094 0.112 0.000 1.058 172 V CA -1.041 61.330 62.300 0.118 0.000 0.952 172 V CB 1.819 33.662 31.823 0.034 0.000 1.019 172 V HN 0.666 nan 8.190 nan 0.000 0.445 173 L N 5.343 126.617 121.223 0.086 0.000 2.265 173 L HA 0.757 5.078 4.340 -0.032 0.000 0.288 173 L C 0.076 176.971 176.870 0.042 0.000 1.058 173 L CA 0.036 54.916 54.840 0.066 0.000 0.809 173 L CB 0.625 42.725 42.059 0.068 0.000 1.179 173 L HN 1.035 nan 8.230 nan 0.000 0.429 174 R N 3.216 123.737 120.500 0.035 0.000 2.508 174 R HA 0.417 4.738 4.340 -0.032 0.000 0.283 174 R C -1.108 175.202 176.300 0.018 0.000 1.120 174 R CA -0.593 55.519 56.100 0.021 0.000 0.958 174 R CB 1.103 31.411 30.300 0.012 0.000 1.215 174 R HN 0.640 nan 8.270 nan 0.000 0.427 175 D N 2.129 122.537 120.400 0.014 0.000 2.981 175 D HA -0.174 4.447 4.640 -0.032 0.000 0.223 175 D C 0.895 177.201 176.300 0.010 0.000 1.151 175 D CA 2.088 56.095 54.000 0.010 0.000 0.827 175 D CB -1.036 39.769 40.800 0.008 0.000 1.101 175 D HN 1.197 nan 8.370 nan 0.000 0.426 176 G N -0.265 108.543 108.800 0.014 0.000 2.205 176 G HA2 -0.368 3.574 3.960 -0.032 0.000 0.261 176 G HA3 -0.368 3.574 3.960 -0.032 0.000 0.261 176 G C 0.344 175.247 174.900 0.005 0.000 0.980 176 G CA 0.654 45.760 45.100 0.011 0.000 0.632 176 G HN 0.494 nan 8.290 nan 0.000 0.533 177 R N 1.026 121.532 120.500 0.009 0.000 2.664 177 R HA 0.521 4.842 4.340 -0.032 0.000 0.286 177 R C -2.575 173.739 176.300 0.023 0.000 0.967 177 R CA -1.891 54.212 56.100 0.004 0.000 0.933 177 R CB 2.097 32.401 30.300 0.006 0.000 1.146 177 R HN 0.110 nan 8.270 nan 0.000 0.468 178 P HA 0.112 nan 4.420 nan 0.000 0.282 178 P C -0.791 176.613 177.300 0.173 0.000 1.262 178 P CA -0.162 62.972 63.100 0.057 0.000 0.773 178 P CB 1.219 32.840 31.700 -0.131 0.000 0.879 179 V N 4.036 124.095 119.914 0.242 0.000 2.531 179 V HA 0.156 4.257 4.120 -0.032 0.000 0.301 179 V C 0.503 176.705 176.094 0.180 0.000 1.034 179 V CA -0.828 61.598 62.300 0.211 0.000 0.865 179 V CB 1.552 33.431 31.823 0.092 0.000 0.995 179 V HN 0.525 nan 8.190 nan 0.000 0.424 180 E N 2.528 122.776 120.200 0.079 0.000 2.966 180 E HA -0.097 4.234 4.350 -0.032 0.000 0.254 180 E C 0.918 177.440 176.600 -0.130 0.000 0.923 180 E CA 0.406 56.675 56.400 -0.219 0.000 0.960 180 E CB 0.517 30.112 29.700 -0.174 0.000 0.901 180 E HN 0.760 nan 8.360 nan 0.000 0.525 181 T N 3.167 117.622 114.554 -0.165 0.000 2.652 181 T HA -0.276 4.055 4.350 -0.032 0.000 0.267 181 T C 1.879 176.537 174.700 -0.071 0.000 1.039 181 T CA 1.424 63.476 62.100 -0.079 0.000 1.153 181 T CB -0.165 68.673 68.868 -0.050 0.000 0.863 181 T HN 0.659 nan 8.240 nan 0.000 0.428 182 A N 1.358 124.127 122.820 -0.085 0.000 1.896 182 A HA -0.325 3.976 4.320 -0.032 0.000 0.220 182 A C 2.283 179.837 177.584 -0.050 0.000 1.206 182 A CA 2.511 54.511 52.037 -0.060 0.000 0.647 182 A CB -1.056 17.904 19.000 -0.067 0.000 0.828 182 A HN 0.624 nan 8.150 nan 0.000 0.455 183 Q N -0.530 119.239 119.800 -0.052 0.000 2.030 183 Q HA -0.169 4.152 4.340 -0.032 0.000 0.204 183 Q C 2.056 178.033 176.000 -0.038 0.000 0.986 183 Q CA 2.432 58.213 55.803 -0.037 0.000 0.843 183 Q CB -0.315 28.406 28.738 -0.029 0.000 0.904 183 Q HN 0.429 nan 8.270 nan 0.000 0.420 184 V N 1.290 121.177 119.914 -0.045 0.000 2.324 184 V HA -0.312 3.789 4.120 -0.032 0.000 0.250 184 V C 2.391 178.442 176.094 -0.071 0.000 1.060 184 V CA 1.782 64.048 62.300 -0.057 0.000 1.042 184 V CB -0.594 31.187 31.823 -0.070 0.000 0.650 184 V HN 0.415 nan 8.190 nan 0.000 0.450 185 L N -0.150 121.032 121.223 -0.069 0.000 2.083 185 L HA -0.136 4.185 4.340 -0.032 0.000 0.209 185 L C 2.675 179.522 176.870 -0.040 0.000 1.083 185 L CA 1.492 56.296 54.840 -0.060 0.000 0.752 185 L CB -0.752 41.289 42.059 -0.030 0.000 0.899 185 L HN 0.379 nan 8.230 nan 0.000 0.433 186 A N -0.280 122.520 122.820 -0.033 0.000 1.968 186 A HA -0.137 4.164 4.320 -0.032 0.000 0.217 186 A C 1.867 179.436 177.584 -0.026 0.000 1.169 186 A CA 0.953 52.975 52.037 -0.025 0.000 0.638 186 A CB -0.293 18.693 19.000 -0.023 0.000 0.812 186 A HN 0.421 nan 8.150 nan 0.000 0.446 187 E N -0.517 119.665 120.200 -0.031 0.000 2.438 187 E HA 0.024 4.355 4.350 -0.032 0.000 0.192 187 E C 0.466 177.046 176.600 -0.033 0.000 1.110 187 E CA 0.099 56.482 56.400 -0.029 0.000 0.893 187 E CB 0.020 29.703 29.700 -0.028 0.000 0.990 187 E HN 0.531 nan 8.360 nan 0.000 0.490 188 R N -1.549 118.929 120.500 -0.036 0.000 2.504 188 R HA 0.120 4.441 4.340 -0.032 0.000 0.341 188 R C 0.981 177.265 176.300 -0.027 0.000 0.905 188 R CA 0.391 56.468 56.100 -0.038 0.000 1.133 188 R CB 1.287 31.550 30.300 -0.061 0.000 1.704 188 R HN 0.207 nan 8.270 nan 0.000 0.503 189 G N 1.991 110.779 108.800 -0.021 0.000 2.234 189 G HA2 -0.294 3.647 3.960 -0.032 0.000 0.260 189 G HA3 -0.294 3.647 3.960 -0.032 0.000 0.260 189 G C 0.339 175.236 174.900 -0.005 0.000 0.987 189 G CA 0.214 45.307 45.100 -0.012 0.000 0.625 189 G HN 0.219 nan 8.290 nan 0.000 0.532 190 I N 1.544 122.110 120.570 -0.007 0.000 2.556 190 I HA 0.221 4.372 4.170 -0.032 0.000 0.284 190 I C 0.117 176.244 176.117 0.018 0.000 1.114 190 I CA -0.044 61.265 61.300 0.014 0.000 1.418 190 I CB 0.699 38.713 38.000 0.023 0.000 1.394 190 I HN 0.001 nan 8.210 nan 0.000 0.552 191 E N 7.538 127.753 120.200 0.025 0.000 2.134 191 E HA 0.354 4.685 4.350 -0.032 0.000 0.278 191 E C -2.147 174.470 176.600 0.029 0.000 0.959 191 E CA -1.980 54.431 56.400 0.018 0.000 0.783 191 E CB 0.962 30.667 29.700 0.008 0.000 1.095 191 E HN 0.296 nan 8.360 nan 0.000 0.399 192 P HA -0.062 nan 4.420 nan 0.000 0.266 192 P C 0.036 177.343 177.300 0.012 0.000 1.186 192 P CA 0.373 63.491 63.100 0.030 0.000 0.767 192 P CB 0.561 32.268 31.700 0.012 0.000 0.820 193 L N 1.495 122.721 121.223 0.005 0.000 2.469 193 L HA 0.362 4.683 4.340 -0.032 0.000 0.253 193 L C 0.879 177.734 176.870 -0.025 0.000 1.143 193 L CA -0.352 54.478 54.840 -0.017 0.000 0.804 193 L CB 0.511 42.549 42.059 -0.034 0.000 1.214 193 L HN 0.420 nan 8.230 nan 0.000 0.476 194 E N 1.077 121.257 120.200 -0.034 0.000 2.244 194 E HA 0.325 4.656 4.350 -0.032 0.000 0.260 194 E C -1.334 175.237 176.600 -0.048 0.000 0.884 194 E CA -0.653 55.722 56.400 -0.041 0.000 0.777 194 E CB 1.424 31.098 29.700 -0.044 0.000 1.197 194 E HN 0.419 nan 8.360 nan 0.000 0.416 195 L N 4.697 125.891 121.223 -0.049 0.000 2.462 195 L HA 0.221 4.542 4.340 -0.032 0.000 0.272 195 L C 1.053 177.889 176.870 -0.058 0.000 1.166 195 L CA 0.307 55.119 54.840 -0.046 0.000 0.880 195 L CB 0.252 42.286 42.059 -0.042 0.000 1.142 195 L HN 0.525 nan 8.230 nan 0.000 0.473 196 R N 1.856 122.330 120.500 -0.044 0.000 2.751 196 R HA 0.439 4.760 4.340 -0.032 0.000 0.217 196 R C -0.662 175.648 176.300 0.016 0.000 1.436 196 R CA -1.037 55.016 56.100 -0.078 0.000 1.006 196 R CB 0.334 30.594 30.300 -0.066 0.000 2.065 196 R HN 0.153 nan 8.270 nan 0.000 0.525 197 F N 2.486 122.473 119.950 0.062 0.000 2.590 197 F HA -0.083 4.425 4.527 -0.032 0.000 0.389 197 F C 1.486 177.381 175.800 0.158 0.000 1.049 197 F CA 0.822 58.896 58.000 0.124 0.000 1.199 197 F CB 0.016 39.126 39.000 0.183 0.000 1.058 197 F HN 0.551 nan 8.300 nan 0.000 0.556 198 K N 1.138 121.737 120.400 0.332 0.000 3.529 198 K HA -0.305 3.996 4.320 -0.032 0.000 0.313 198 K C 1.187 177.819 176.600 0.053 0.000 1.316 198 K CA 1.751 58.135 56.287 0.161 0.000 0.988 198 K CB -0.726 31.814 32.500 0.067 0.000 1.252 198 K HN 0.820 nan 8.250 nan 0.000 0.438 199 E N -0.921 119.312 120.200 0.055 0.000 2.107 199 E HA -0.086 4.245 4.350 -0.032 0.000 0.191 199 E C 1.966 178.549 176.600 -0.029 0.000 0.982 199 E CA 1.020 57.418 56.400 -0.003 0.000 0.809 199 E CB -0.098 29.599 29.700 -0.005 0.000 0.756 199 E HN 0.562 nan 8.360 nan 0.000 0.459 200 G N 1.854 110.638 108.800 -0.027 0.000 2.404 200 G HA2 -0.235 3.706 3.960 -0.032 0.000 0.215 200 G HA3 -0.235 3.706 3.960 -0.032 0.000 0.215 200 G C 1.583 176.423 174.900 -0.100 0.000 1.174 200 G CA 0.445 45.503 45.100 -0.070 0.000 0.780 200 G HN 0.135 nan 8.290 nan 0.000 0.537 201 L N 1.633 122.809 121.223 -0.079 0.000 2.012 201 L HA 0.040 4.361 4.340 -0.032 0.000 0.210 201 L C 3.033 179.875 176.870 -0.046 0.000 1.073 201 L CA 2.351 57.141 54.840 -0.084 0.000 0.748 201 L CB -0.870 41.209 42.059 0.034 0.000 0.891 201 L HN 0.245 nan 8.230 nan 0.000 0.431 202 A N -0.758 122.044 122.820 -0.030 0.000 1.933 202 A HA -0.169 4.132 4.320 -0.032 0.000 0.218 202 A C 2.286 179.850 177.584 -0.033 0.000 1.175 202 A CA 1.946 53.966 52.037 -0.028 0.000 0.628 202 A CB -0.890 18.078 19.000 -0.053 0.000 0.814 202 A HN 0.526 nan 8.150 nan 0.000 0.444 203 L N -0.506 120.687 121.223 -0.050 0.000 2.141 203 L HA -0.095 4.226 4.340 -0.032 0.000 0.209 203 L C 2.316 179.160 176.870 -0.045 0.000 1.094 203 L CA 1.502 56.311 54.840 -0.052 0.000 0.763 203 L CB -0.286 41.735 42.059 -0.064 0.000 0.908 203 L HN 0.714 nan 8.230 nan 0.000 0.437 204 I N -5.018 115.516 120.570 -0.060 0.000 4.070 204 I HA 0.134 4.285 4.170 -0.032 0.000 0.328 204 I C 0.870 176.957 176.117 -0.050 0.000 1.298 204 I CA 0.032 61.297 61.300 -0.058 0.000 1.173 204 I CB 0.029 37.970 38.000 -0.099 0.000 1.051 204 I HN 0.010 nan 8.210 nan 0.000 0.409 205 N N 2.249 120.929 118.700 -0.033 0.000 3.259 205 N HA 0.446 5.167 4.740 -0.032 0.000 0.308 205 N C -0.129 175.440 175.510 0.098 0.000 1.334 205 N CA 0.132 53.184 53.050 0.004 0.000 1.202 205 N CB 0.137 38.648 38.487 0.038 0.000 1.485 205 N HN 0.621 nan 8.380 nan 0.000 0.549 206 G N -1.659 107.185 108.800 0.074 0.000 2.782 206 G HA2 0.248 4.189 3.960 -0.032 0.000 0.304 206 G HA3 0.248 4.189 3.960 -0.032 0.000 0.304 206 G C 0.033 174.975 174.900 0.069 0.000 1.315 206 G CA -0.383 44.777 45.100 0.099 0.000 0.791 206 G HN 0.184 nan 8.290 nan 0.000 0.519 207 T N -2.301 112.284 114.554 0.052 0.000 3.176 207 T HA 0.240 4.571 4.350 -0.032 0.000 0.263 207 T C 1.707 176.408 174.700 0.000 0.000 1.021 207 T CA 0.889 63.004 62.100 0.026 0.000 0.905 207 T CB 0.417 69.299 68.868 0.023 0.000 1.057 207 T HN 0.231 nan 8.240 nan 0.000 0.558 208 S N 1.380 117.077 115.700 -0.005 0.000 2.419 208 S HA -0.014 4.437 4.470 -0.032 0.000 0.235 208 S C 2.278 176.845 174.600 -0.054 0.000 1.019 208 S CA 1.348 59.532 58.200 -0.027 0.000 0.982 208 S CB -0.770 62.414 63.200 -0.027 0.000 0.789 208 S HN 0.793 nan 8.310 nan 0.000 0.490 209 G N 2.586 111.358 108.800 -0.047 0.000 2.453 209 G HA2 -0.226 3.715 3.960 -0.032 0.000 0.215 209 G HA3 -0.226 3.715 3.960 -0.032 0.000 0.215 209 G C 1.456 176.307 174.900 -0.082 0.000 1.201 209 G CA 1.135 46.186 45.100 -0.082 0.000 0.784 209 G HN 0.632 nan 8.290 nan 0.000 0.545 210 M N -0.478 119.104 119.600 -0.030 0.000 2.254 210 M HA 0.103 4.564 4.480 -0.032 0.000 0.265 210 M C 2.271 178.556 176.300 -0.026 0.000 1.066 210 M CA 1.932 57.222 55.300 -0.016 0.000 1.123 210 M CB -0.880 31.718 32.600 -0.004 0.000 1.388 210 M HN -0.001 nan 8.290 nan 0.000 0.425 211 T N 1.206 115.742 114.554 -0.029 0.000 2.857 211 T HA 0.032 4.364 4.350 -0.032 0.000 0.266 211 T C 1.984 176.664 174.700 -0.035 0.000 1.048 211 T CA 1.571 63.655 62.100 -0.026 0.000 1.139 211 T CB -0.618 68.238 68.868 -0.021 0.000 0.874 211 T HN 0.698 nan 8.240 nan 0.000 0.455 212 G N 1.396 110.161 108.800 -0.059 0.000 2.414 212 G HA2 -0.100 3.841 3.960 -0.032 0.000 0.215 212 G HA3 -0.100 3.841 3.960 -0.032 0.000 0.215 212 G C 1.514 176.367 174.900 -0.078 0.000 1.188 212 G CA 0.590 45.646 45.100 -0.072 0.000 0.783 212 G HN 0.391 nan 8.290 nan 0.000 0.537 213 L N 1.557 122.714 121.223 -0.109 0.000 2.017 213 L HA 0.160 4.481 4.340 -0.032 0.000 0.208 213 L C 2.788 179.648 176.870 -0.015 0.000 1.073 213 L CA 2.377 57.167 54.840 -0.083 0.000 0.745 213 L CB -0.964 41.040 42.059 -0.092 0.000 0.894 213 L HN 0.170 nan 8.230 nan 0.000 0.432 214 G N -1.881 106.915 108.800 -0.006 0.000 2.448 214 G HA2 -0.215 3.726 3.960 -0.032 0.000 0.219 214 G HA3 -0.215 3.726 3.960 -0.032 0.000 0.219 214 G C 1.585 176.497 174.900 0.020 0.000 1.127 214 G CA 0.871 45.980 45.100 0.015 0.000 0.766 214 G HN 0.471 nan 8.290 nan 0.000 0.552 215 S N 0.242 115.946 115.700 0.007 0.000 2.355 215 S HA 0.011 4.462 4.470 -0.032 0.000 0.222 215 S C 2.315 176.928 174.600 0.023 0.000 1.031 215 S CA 0.678 58.888 58.200 0.015 0.000 0.993 215 S CB -0.233 62.969 63.200 0.004 0.000 0.859 215 S HN 0.336 nan 8.310 nan 0.000 0.453 216 L N 1.073 122.304 121.223 0.014 0.000 2.012 216 L HA -0.124 4.197 4.340 -0.032 0.000 0.210 216 L C 2.357 179.249 176.870 0.036 0.000 1.073 216 L CA 1.023 55.876 54.840 0.022 0.000 0.748 216 L CB -0.851 41.217 42.059 0.015 0.000 0.891 216 L HN 0.207 nan 8.230 nan 0.000 0.431 217 V N -0.689 119.249 119.914 0.040 0.000 2.261 217 V HA -0.251 3.850 4.120 -0.032 0.000 0.246 217 V C 2.433 178.561 176.094 0.057 0.000 1.047 217 V CA 1.614 63.945 62.300 0.050 0.000 1.015 217 V CB -0.300 31.555 31.823 0.053 0.000 0.642 217 V HN 0.186 nan 8.190 nan 0.000 0.446 218 V N 0.893 120.842 119.914 0.059 0.000 2.343 218 V HA -0.199 3.902 4.120 -0.032 0.000 0.247 218 V C 2.613 178.752 176.094 0.075 0.000 1.051 218 V CA 2.198 64.542 62.300 0.073 0.000 1.036 218 V CB -1.382 30.489 31.823 0.079 0.000 0.654 218 V HN 0.630 nan 8.190 nan 0.000 0.451 219 G N -0.193 108.646 108.800 0.064 0.000 2.421 219 G HA2 -0.243 3.698 3.960 -0.032 0.000 0.216 219 G HA3 -0.243 3.698 3.960 -0.032 0.000 0.216 219 G C 1.744 176.682 174.900 0.063 0.000 1.171 219 G CA 0.721 45.859 45.100 0.063 0.000 0.775 219 G HN 0.453 nan 8.290 nan 0.000 0.543 220 R N 0.480 121.014 120.500 0.057 0.000 2.115 220 R HA 0.148 4.469 4.340 -0.032 0.000 0.226 220 R C 2.996 179.334 176.300 0.063 0.000 1.100 220 R CA 0.881 57.015 56.100 0.058 0.000 0.980 220 R CB -0.310 30.022 30.300 0.053 0.000 0.875 220 R HN 0.339 nan 8.270 nan 0.000 0.445 221 A N 1.417 124.276 122.820 0.064 0.000 1.908 221 A HA -0.154 4.147 4.320 -0.032 0.000 0.218 221 A C 2.148 179.770 177.584 0.063 0.000 1.181 221 A CA 1.232 53.306 52.037 0.062 0.000 0.627 221 A CB -0.549 18.489 19.000 0.063 0.000 0.818 221 A HN 0.182 nan 8.150 nan 0.000 0.445 222 L N -0.716 120.552 121.223 0.076 0.000 2.046 222 L HA -0.208 4.113 4.340 -0.032 0.000 0.208 222 L C 2.619 179.537 176.870 0.081 0.000 1.077 222 L CA 1.678 56.570 54.840 0.088 0.000 0.747 222 L CB -0.585 41.548 42.059 0.123 0.000 0.896 222 L HN 0.483 nan 8.230 nan 0.000 0.432 223 E N -0.465 119.781 120.200 0.077 0.000 2.153 223 E HA -0.288 4.043 4.350 -0.032 0.000 0.194 223 E C 2.111 178.760 176.600 0.083 0.000 0.988 223 E CA 0.934 57.380 56.400 0.077 0.000 0.811 223 E CB -0.063 29.679 29.700 0.070 0.000 0.746 223 E HN 0.502 nan 8.360 nan 0.000 0.466 224 Q N 0.361 120.207 119.800 0.076 0.000 2.172 224 Q HA -0.106 4.216 4.340 -0.032 0.000 0.200 224 Q C 2.078 178.120 176.000 0.070 0.000 0.964 224 Q CA 1.039 56.889 55.803 0.078 0.000 0.855 224 Q CB 0.002 28.781 28.738 0.068 0.000 0.918 224 Q HN 0.238 nan 8.270 nan 0.000 0.444 225 A N 0.505 123.359 122.820 0.056 0.000 1.898 225 A HA -0.234 4.068 4.320 -0.032 0.000 0.216 225 A C 1.912 179.523 177.584 0.045 0.000 1.181 225 A CA 1.473 53.533 52.037 0.038 0.000 0.620 225 A CB -0.455 18.559 19.000 0.023 0.000 0.819 225 A HN 0.474 nan 8.150 nan 0.000 0.442 226 Q N -0.563 119.274 119.800 0.062 0.000 2.050 226 Q HA -0.225 4.096 4.340 -0.032 0.000 0.202 226 Q C 2.262 178.311 176.000 0.082 0.000 0.980 226 Q CA 1.762 57.605 55.803 0.066 0.000 0.840 226 Q CB -0.249 28.534 28.738 0.076 0.000 0.898 226 Q HN 0.757 nan 8.270 nan 0.000 0.424 227 Q N -0.116 119.755 119.800 0.119 0.000 2.224 227 Q HA -0.093 4.229 4.340 -0.032 0.000 0.203 227 Q C 1.986 178.075 176.000 0.148 0.000 0.970 227 Q CA 1.001 56.918 55.803 0.191 0.000 0.865 227 Q CB -0.079 28.795 28.738 0.228 0.000 0.922 227 Q HN 0.363 nan 8.270 nan 0.000 0.445 228 A N 1.237 124.102 122.820 0.076 0.000 1.929 228 A HA -0.187 4.114 4.320 -0.032 0.000 0.216 228 A C 1.768 179.327 177.584 -0.042 0.000 1.176 228 A CA 1.165 53.208 52.037 0.010 0.000 0.628 228 A CB -0.201 18.809 19.000 0.017 0.000 0.816 228 A HN 0.293 nan 8.150 nan 0.000 0.444 229 E N -0.150 120.039 120.200 -0.019 0.000 2.106 229 E HA -0.116 4.215 4.350 -0.032 0.000 0.192 229 E C 1.822 178.377 176.600 -0.075 0.000 0.984 229 E CA 1.081 57.452 56.400 -0.050 0.000 0.806 229 E CB -0.273 29.407 29.700 -0.034 0.000 0.750 229 E HN 0.690 nan 8.360 nan 0.000 0.458 230 I N 0.535 121.087 120.570 -0.030 0.000 2.142 230 I HA -0.245 3.906 4.170 -0.032 0.000 0.240 230 I C 2.571 178.606 176.117 -0.136 0.000 1.078 230 I CA 0.847 62.135 61.300 -0.021 0.000 1.343 230 I CB -0.299 37.770 38.000 0.115 0.000 1.046 230 I HN 0.053 nan 8.210 nan 0.000 0.405 231 V N 0.339 120.061 119.914 -0.320 0.000 2.515 231 V HA -0.238 3.863 4.120 -0.032 0.000 0.250 231 V C 2.374 178.262 176.094 -0.344 0.000 1.058 231 V CA 2.546 64.473 62.300 -0.622 0.000 1.064 231 V CB -0.394 30.642 31.823 -1.312 0.000 0.675 231 V HN 0.469 nan 8.190 nan 0.000 0.461 232 T N 0.637 115.055 114.554 -0.228 0.000 2.788 232 T HA -0.078 4.253 4.350 -0.032 0.000 0.268 232 T C 1.992 176.611 174.700 -0.135 0.000 1.044 232 T CA 1.562 63.574 62.100 -0.146 0.000 1.139 232 T CB -0.458 68.353 68.868 -0.094 0.000 0.867 232 T HN 0.675 nan 8.240 nan 0.000 0.454 233 A N 1.295 124.021 122.820 -0.156 0.000 1.930 233 A HA 0.038 4.339 4.320 -0.032 0.000 0.217 233 A C 2.215 179.727 177.584 -0.120 0.000 1.175 233 A CA 1.114 53.054 52.037 -0.161 0.000 0.627 233 A CB -0.688 18.215 19.000 -0.161 0.000 0.815 233 A HN 0.414 nan 8.150 nan 0.000 0.443 234 L N -0.737 120.415 121.223 -0.117 0.000 2.056 234 L HA -0.076 4.245 4.340 -0.032 0.000 0.207 234 L C 2.193 179.015 176.870 -0.080 0.000 1.078 234 L CA 1.986 56.775 54.840 -0.085 0.000 0.749 234 L CB -0.718 41.295 42.059 -0.078 0.000 0.901 234 L HN 0.310 nan 8.230 nan 0.000 0.433 235 L N -0.312 120.848 121.223 -0.105 0.000 1.994 235 L HA -0.188 4.133 4.340 -0.032 0.000 0.208 235 L C 2.433 179.281 176.870 -0.037 0.000 1.071 235 L CA 1.910 56.703 54.840 -0.078 0.000 0.745 235 L CB -0.539 41.462 42.059 -0.095 0.000 0.892 235 L HN 0.307 nan 8.230 nan 0.000 0.431 236 I N -0.581 119.970 120.570 -0.033 0.000 2.248 236 I HA -0.340 3.811 4.170 -0.032 0.000 0.248 236 I C 2.364 178.474 176.117 -0.011 0.000 1.107 236 I CA 1.610 62.911 61.300 0.003 0.000 1.373 236 I CB -0.348 37.657 38.000 0.009 0.000 1.055 236 I HN 0.421 nan 8.210 nan 0.000 0.418 237 E N 0.578 120.755 120.200 -0.038 0.000 2.107 237 E HA -0.148 4.183 4.350 -0.032 0.000 0.191 237 E C 2.360 178.938 176.600 -0.037 0.000 0.982 237 E CA 1.065 57.439 56.400 -0.043 0.000 0.809 237 E CB -0.111 29.551 29.700 -0.064 0.000 0.756 237 E HN 0.510 nan 8.360 nan 0.000 0.459 238 A N 1.337 124.138 122.820 -0.032 0.000 1.902 238 A HA -0.138 4.163 4.320 -0.032 0.000 0.217 238 A C 2.388 179.971 177.584 -0.003 0.000 1.181 238 A CA 1.618 53.641 52.037 -0.023 0.000 0.623 238 A CB -0.618 18.369 19.000 -0.022 0.000 0.818 238 A HN 0.236 nan 8.150 nan 0.000 0.443 239 V N -3.870 116.055 119.914 0.018 0.000 3.646 239 V HA 0.227 4.328 4.120 -0.032 0.000 0.277 239 V C 0.596 176.689 176.094 -0.002 0.000 1.274 239 V CA 0.354 62.693 62.300 0.065 0.000 1.164 239 V CB -1.354 30.582 31.823 0.189 0.000 0.926 239 V HN 0.536 nan 8.190 nan 0.000 0.442 240 R N 0.298 120.785 120.500 -0.023 0.000 3.264 240 R HA -0.136 4.185 4.340 -0.032 0.000 0.251 240 R C 0.831 177.083 176.300 -0.080 0.000 0.971 240 R CA 0.511 56.584 56.100 -0.046 0.000 0.658 240 R CB -2.119 28.153 30.300 -0.048 0.000 1.095 240 R HN 0.813 nan 8.270 nan 0.000 0.443 241 G N 0.220 108.988 108.800 -0.052 0.000 2.621 241 G HA2 0.271 4.212 3.960 -0.032 0.000 0.271 241 G HA3 0.271 4.212 3.960 -0.032 0.000 0.271 241 G C -0.085 174.822 174.900 0.011 0.000 1.236 241 G CA -0.107 44.960 45.100 -0.054 0.000 0.958 241 G HN 0.189 nan 8.290 nan 0.000 0.512 242 S N -1.818 113.900 115.700 0.029 0.000 2.565 242 S HA 0.292 4.743 4.470 -0.032 0.000 0.274 242 S C 1.726 176.416 174.600 0.149 0.000 1.309 242 S CA 0.252 58.490 58.200 0.063 0.000 1.043 242 S CB 0.935 64.162 63.200 0.044 0.000 0.939 242 S HN 0.890 nan 8.310 nan 0.000 0.504 243 T N 1.343 115.996 114.554 0.164 0.000 3.067 243 T HA -0.012 4.319 4.350 -0.032 0.000 0.257 243 T C 1.989 176.808 174.700 0.198 0.000 1.105 243 T CA 0.982 63.258 62.100 0.292 0.000 1.104 243 T CB -0.424 68.560 68.868 0.193 0.000 0.925 243 T HN 0.525 nan 8.240 nan 0.000 0.498 244 S N 2.910 118.644 115.700 0.056 0.000 2.389 244 S HA -0.067 4.384 4.470 -0.032 0.000 0.231 244 S C -0.602 173.896 174.600 -0.171 0.000 1.052 244 S CA 1.500 59.681 58.200 -0.032 0.000 1.053 244 S CB -1.322 61.854 63.200 -0.040 0.000 0.886 244 S HN 0.445 nan 8.310 nan 0.000 0.456 245 P HA -0.016 nan 4.420 nan 0.000 0.223 245 P C 0.289 177.240 177.300 -0.582 0.000 1.144 245 P CA 0.918 63.644 63.100 -0.623 0.000 0.783 245 P CB -0.134 31.012 31.700 -0.922 0.000 0.771 246 F N -2.200 117.823 119.950 0.122 0.000 2.653 246 F HA 0.208 4.716 4.527 -0.032 0.000 0.304 246 F C 0.923 176.808 175.800 0.142 0.000 1.092 246 F CA -0.629 57.447 58.000 0.126 0.000 1.279 246 F CB -0.813 38.197 39.000 0.018 0.000 1.044 246 F HN -0.267 nan 8.300 nan 0.000 0.564 247 L N 0.873 122.219 121.223 0.206 0.000 2.559 247 L HA 0.064 4.385 4.340 -0.032 0.000 0.274 247 L C 1.769 178.759 176.870 0.200 0.000 1.205 247 L CA -0.180 54.749 54.840 0.149 0.000 0.907 247 L CB 0.477 42.570 42.059 0.057 0.000 1.153 247 L HN 0.274 nan 8.230 nan 0.000 0.490 248 A N 3.929 126.846 122.820 0.163 0.000 1.927 248 A HA -0.231 4.070 4.320 -0.032 0.000 0.220 248 A C 2.118 179.778 177.584 0.128 0.000 1.185 248 A CA 1.993 54.127 52.037 0.162 0.000 0.639 248 A CB -0.515 18.540 19.000 0.091 0.000 0.820 248 A HN 0.924 nan 8.150 nan 0.000 0.451 249 E N -0.207 120.028 120.200 0.059 0.000 2.267 249 E HA -0.127 4.204 4.350 -0.032 0.000 0.197 249 E C 1.663 178.238 176.600 -0.042 0.000 0.998 249 E CA 1.384 57.789 56.400 0.009 0.000 0.830 249 E CB -0.726 28.969 29.700 -0.008 0.000 0.751 249 E HN 0.503 nan 8.360 nan 0.000 0.491 250 G N -0.634 108.116 108.800 -0.084 0.000 2.777 250 G HA2 -0.035 3.907 3.960 -0.032 0.000 0.211 250 G HA3 -0.035 3.907 3.960 -0.032 0.000 0.211 250 G C 0.670 175.245 174.900 -0.542 0.000 1.149 250 G CA 0.455 45.370 45.100 -0.309 0.000 0.785 250 G HN 0.350 nan 8.290 nan 0.000 0.536 251 H N -0.625 118.444 119.070 -0.001 0.000 2.027 251 H HA 0.169 4.706 4.556 -0.031 0.000 0.209 251 H C 1.632 176.965 175.328 0.007 0.000 0.903 251 H CA 0.257 56.313 56.048 0.014 0.000 1.078 251 H CB 0.044 29.829 29.762 0.038 0.000 1.248 251 H HN 0.059 nan 8.280 nan 0.000 0.432 252 D N 0.674 121.166 120.400 0.154 0.000 2.190 252 D HA -0.108 4.513 4.640 -0.032 0.000 0.200 252 D C 1.548 177.866 176.300 0.030 0.000 0.992 252 D CA 1.409 55.455 54.000 0.077 0.000 0.854 252 D CB 0.231 41.071 40.800 0.067 0.000 0.936 252 D HN 0.415 nan 8.370 nan 0.000 0.462 253 I N -0.298 120.279 120.570 0.012 0.000 3.132 253 I HA 0.081 4.232 4.170 -0.032 0.000 0.255 253 I C 2.248 178.343 176.117 -0.037 0.000 1.118 253 I CA 0.432 61.723 61.300 -0.015 0.000 1.463 253 I CB -0.192 37.797 38.000 -0.018 0.000 1.356 253 I HN -0.099 nan 8.210 nan 0.000 0.463 254 A N 0.450 123.234 122.820 -0.059 0.000 1.930 254 A HA -0.031 4.270 4.320 -0.032 0.000 0.217 254 A C 1.740 179.279 177.584 -0.074 0.000 1.175 254 A CA 1.209 53.200 52.037 -0.078 0.000 0.627 254 A CB -0.101 18.830 19.000 -0.115 0.000 0.815 254 A HN 0.337 nan 8.150 nan 0.000 0.443 255 R N -0.203 120.259 120.500 -0.064 0.000 2.754 255 R HA 0.176 4.498 4.340 -0.032 0.000 0.255 255 R C -2.913 173.371 176.300 -0.026 0.000 1.723 255 R CA -1.390 54.683 56.100 -0.045 0.000 1.596 255 R CB 1.116 31.424 30.300 0.014 0.000 1.424 255 R HN 0.158 nan 8.270 nan 0.000 0.662 256 P HA -0.021 nan 4.420 nan 0.000 0.238 256 P C -0.946 176.285 177.300 -0.114 0.000 1.679 256 P CA 0.176 63.241 63.100 -0.058 0.000 1.080 256 P CB -0.383 31.279 31.700 -0.062 0.000 1.961 257 H N -0.023 119.080 119.070 0.055 0.000 2.517 257 H HA 0.126 4.664 4.556 -0.031 0.000 0.317 257 H C 1.482 176.854 175.328 0.074 0.000 1.080 257 H CA -0.228 55.850 56.048 0.050 0.000 1.301 257 H CB 1.353 31.137 29.762 0.036 0.000 1.425 257 H HN 0.254 nan 8.280 nan 0.000 0.471 258 E N 2.965 123.281 120.200 0.193 0.000 2.045 258 E HA -0.253 4.078 4.350 -0.032 0.000 0.212 258 E C 2.194 178.936 176.600 0.238 0.000 1.039 258 E CA 1.787 58.303 56.400 0.195 0.000 0.860 258 E CB -0.278 29.558 29.700 0.226 0.000 0.776 258 E HN 0.943 nan 8.360 nan 0.000 0.467 259 G N 0.201 109.148 108.800 0.246 0.000 2.475 259 G HA2 -0.366 3.575 3.960 -0.032 0.000 0.220 259 G HA3 -0.366 3.575 3.960 -0.032 0.000 0.220 259 G C 1.461 176.411 174.900 0.083 0.000 1.125 259 G CA 1.035 46.210 45.100 0.126 0.000 0.755 259 G HN 0.393 nan 8.290 nan 0.000 0.565 260 Q N -0.360 119.506 119.800 0.109 0.000 2.119 260 Q HA 0.014 4.335 4.340 -0.032 0.000 0.201 260 Q C 2.546 178.565 176.000 0.031 0.000 0.972 260 Q CA 0.809 56.669 55.803 0.094 0.000 0.847 260 Q CB -0.165 28.697 28.738 0.206 0.000 0.903 260 Q HN 0.573 nan 8.270 nan 0.000 0.433 261 I N 0.960 121.581 120.570 0.084 0.000 2.252 261 I HA -0.280 3.871 4.170 -0.032 0.000 0.245 261 I C 1.614 177.739 176.117 0.014 0.000 1.102 261 I CA 1.073 62.402 61.300 0.048 0.000 1.385 261 I CB -0.236 37.815 38.000 0.084 0.000 1.064 261 I HN 0.230 nan 8.210 nan 0.000 0.414 262 D N 0.488 120.925 120.400 0.061 0.000 2.078 262 D HA -0.161 4.460 4.640 -0.032 0.000 0.193 262 D C 2.175 178.486 176.300 0.019 0.000 0.990 262 D CA 1.750 55.789 54.000 0.065 0.000 0.827 262 D CB -0.668 40.224 40.800 0.155 0.000 0.975 262 D HN 0.201 nan 8.370 nan 0.000 0.451 263 T N 1.021 115.579 114.554 0.007 0.000 2.635 263 T HA -0.210 4.121 4.350 -0.032 0.000 0.267 263 T C 1.996 176.661 174.700 -0.059 0.000 1.040 263 T CA 2.074 64.161 62.100 -0.021 0.000 1.156 263 T CB -0.536 68.324 68.868 -0.014 0.000 0.863 263 T HN 0.238 nan 8.240 nan 0.000 0.430 264 A N 1.332 124.077 122.820 -0.126 0.000 1.917 264 A HA -0.026 4.275 4.320 -0.032 0.000 0.219 264 A C 2.606 180.149 177.584 -0.069 0.000 1.182 264 A CA 2.235 54.173 52.037 -0.165 0.000 0.633 264 A CB -1.114 17.529 19.000 -0.594 0.000 0.819 264 A HN 0.563 nan 8.150 nan 0.000 0.448 265 A N -0.198 122.589 122.820 -0.055 0.000 1.897 265 A HA -0.140 4.161 4.320 -0.032 0.000 0.215 265 A C 1.903 179.465 177.584 -0.038 0.000 1.181 265 A CA 1.624 53.647 52.037 -0.024 0.000 0.620 265 A CB -0.548 18.449 19.000 -0.004 0.000 0.821 265 A HN 0.535 nan 8.150 nan 0.000 0.443 266 N N -0.252 118.422 118.700 -0.042 0.000 2.166 266 N HA -0.107 4.614 4.740 -0.032 0.000 0.186 266 N C 1.613 177.063 175.510 -0.101 0.000 1.019 266 N CA 1.416 54.437 53.050 -0.048 0.000 0.856 266 N CB -0.373 38.096 38.487 -0.029 0.000 0.993 266 N HN 0.339 nan 8.380 nan 0.000 0.426 267 M N 0.520 120.019 119.600 -0.167 0.000 2.132 267 M HA -0.016 4.445 4.480 -0.032 0.000 0.263 267 M C 1.911 178.040 176.300 -0.285 0.000 1.065 267 M CA 1.089 56.191 55.300 -0.330 0.000 1.122 267 M CB -0.804 31.418 32.600 -0.630 0.000 1.365 267 M HN 0.129 nan 8.290 nan 0.000 0.411 268 R N -0.242 120.160 120.500 -0.163 0.000 2.092 268 R HA -0.028 4.293 4.340 -0.032 0.000 0.231 268 R C 2.213 178.475 176.300 -0.062 0.000 1.119 268 R CA 1.413 57.467 56.100 -0.077 0.000 0.970 268 R CB -0.332 29.968 30.300 -0.002 0.000 0.864 268 R HN 0.372 nan 8.270 nan 0.000 0.440 269 A N 0.807 123.593 122.820 -0.058 0.000 1.968 269 A HA -0.040 4.261 4.320 -0.032 0.000 0.217 269 A C 2.097 179.652 177.584 -0.049 0.000 1.169 269 A CA 0.781 52.795 52.037 -0.039 0.000 0.638 269 A CB -0.262 18.723 19.000 -0.026 0.000 0.812 269 A HN 0.155 nan 8.150 nan 0.000 0.446 270 L N -1.186 119.993 121.223 -0.075 0.000 2.156 270 L HA -0.042 4.279 4.340 -0.032 0.000 0.208 270 L C 2.317 179.137 176.870 -0.082 0.000 1.095 270 L CA 1.022 55.818 54.840 -0.073 0.000 0.770 270 L CB -0.264 41.738 42.059 -0.095 0.000 0.914 270 L HN 0.397 nan 8.230 nan 0.000 0.439 271 M N -0.865 118.671 119.600 -0.107 0.000 2.428 271 M HA 0.057 4.518 4.480 -0.032 0.000 0.239 271 M C 0.768 177.032 176.300 -0.060 0.000 1.121 271 M CA -0.016 55.228 55.300 -0.094 0.000 1.019 271 M CB 0.043 32.568 32.600 -0.125 0.000 1.485 271 M HN 0.076 nan 8.290 nan 0.000 0.484 272 R N 1.604 122.075 120.500 -0.049 0.000 2.502 272 R HA 0.133 4.454 4.340 -0.032 0.000 0.292 272 R C 0.707 176.988 176.300 -0.033 0.000 0.998 272 R CA 1.344 57.425 56.100 -0.031 0.000 1.056 272 R CB 0.041 30.328 30.300 -0.023 0.000 0.939 272 R HN 0.491 nan 8.270 nan 0.000 0.411 273 G N 2.537 111.321 108.800 -0.028 0.000 2.132 273 G HA2 -0.279 3.662 3.960 -0.032 0.000 0.228 273 G HA3 -0.279 3.662 3.960 -0.032 0.000 0.228 273 G C -0.132 174.741 174.900 -0.045 0.000 1.000 273 G CA 0.258 45.339 45.100 -0.033 0.000 0.693 273 G HN 0.720 nan 8.290 nan 0.000 0.515 274 S N -0.435 115.238 115.700 -0.045 0.000 2.499 274 S HA 0.604 5.055 4.470 -0.032 0.000 0.279 274 S C 1.522 176.095 174.600 -0.045 0.000 1.219 274 S CA 0.778 58.945 58.200 -0.055 0.000 1.062 274 S CB 1.210 64.377 63.200 -0.055 0.000 0.978 274 S HN 1.250 nan 8.310 nan 0.000 0.489 275 G N 3.629 112.396 108.800 -0.054 0.000 2.986 275 G HA2 0.148 4.089 3.960 -0.032 0.000 0.213 275 G HA3 0.148 4.089 3.960 -0.032 0.000 0.213 275 G C 0.938 175.814 174.900 -0.040 0.000 1.156 275 G CA -0.036 45.039 45.100 -0.043 0.000 0.763 275 G HN 0.665 nan 8.290 nan 0.000 0.547 276 L N 1.081 122.276 121.223 -0.047 0.000 2.221 276 L HA 0.143 4.465 4.340 -0.032 0.000 0.202 276 L C 1.995 178.847 176.870 -0.030 0.000 1.074 276 L CA 0.672 55.487 54.840 -0.041 0.000 0.795 276 L CB -0.623 41.405 42.059 -0.052 0.000 0.960 276 L HN 0.190 nan 8.230 nan 0.000 0.458 277 T N -0.297 114.242 114.554 -0.025 0.000 2.856 277 T HA 0.339 4.670 4.350 -0.032 0.000 0.306 277 T C -0.112 174.587 174.700 -0.002 0.000 1.062 277 T CA -0.574 61.522 62.100 -0.007 0.000 1.083 277 T CB 1.202 70.075 68.868 0.008 0.000 0.984 277 T HN 0.045 nan 8.240 nan 0.000 0.542 278 V N -1.292 118.626 119.914 0.007 0.000 2.864 278 V HA 0.698 4.799 4.120 -0.032 0.000 0.314 278 V C -0.445 175.666 176.094 0.028 0.000 1.073 278 V CA -1.216 61.087 62.300 0.004 0.000 0.956 278 V CB 1.637 33.452 31.823 -0.014 0.000 1.023 278 V HN 1.076 nan 8.190 nan 0.000 0.435 279 E N 0.423 120.638 120.200 0.024 0.000 2.204 279 E HA 0.294 4.625 4.350 -0.032 0.000 0.276 279 E C 0.617 177.248 176.600 0.051 0.000 0.974 279 E CA -0.597 55.833 56.400 0.051 0.000 0.815 279 E CB 1.350 31.075 29.700 0.043 0.000 1.119 279 E HN 0.965 nan 8.360 nan 0.000 0.393 280 H N 3.440 122.509 119.070 -0.002 0.000 2.362 280 H HA -0.272 4.265 4.556 -0.032 0.000 0.294 280 H C 1.611 176.933 175.328 -0.009 0.000 1.113 280 H CA 2.758 58.800 56.048 -0.009 0.000 1.253 280 H CB 0.025 29.779 29.762 -0.013 0.000 1.363 280 H HN 0.592 nan 8.280 nan 0.000 0.494 281 A N 0.585 123.370 122.820 -0.058 0.000 1.892 281 A HA -0.251 4.050 4.320 -0.032 0.000 0.218 281 A C 2.203 179.709 177.584 -0.129 0.000 1.188 281 A CA 2.098 54.074 52.037 -0.102 0.000 0.631 281 A CB -0.631 18.360 19.000 -0.015 0.000 0.822 281 A HN 0.648 nan 8.150 nan 0.000 0.447 282 D N -0.034 120.317 120.400 -0.082 0.000 2.097 282 D HA -0.130 4.491 4.640 -0.032 0.000 0.195 282 D C 2.029 178.270 176.300 -0.098 0.000 0.989 282 D CA 1.043 55.001 54.000 -0.070 0.000 0.827 282 D CB -0.488 40.288 40.800 -0.041 0.000 0.966 282 D HN 0.442 nan 8.370 nan 0.000 0.456 283 L N 0.959 122.108 121.223 -0.124 0.000 1.990 283 L HA -0.233 4.088 4.340 -0.032 0.000 0.213 283 L C 2.821 179.597 176.870 -0.157 0.000 1.072 283 L CA 1.715 56.480 54.840 -0.126 0.000 0.755 283 L CB -0.320 41.671 42.059 -0.114 0.000 0.889 283 L HN 0.105 nan 8.230 nan 0.000 0.432 284 R N -0.121 120.218 120.500 -0.269 0.000 2.096 284 R HA -0.169 4.152 4.340 -0.032 0.000 0.235 284 R C 2.221 178.446 176.300 -0.126 0.000 1.127 284 R CA 1.202 57.174 56.100 -0.213 0.000 0.968 284 R CB -0.489 29.634 30.300 -0.295 0.000 0.861 284 R HN 0.290 nan 8.270 nan 0.000 0.440 285 R N 0.817 121.248 120.500 -0.116 0.000 2.075 285 R HA -0.117 4.204 4.340 -0.032 0.000 0.232 285 R C 2.355 178.620 176.300 -0.059 0.000 1.126 285 R CA 1.799 57.856 56.100 -0.073 0.000 0.963 285 R CB -0.276 29.987 30.300 -0.061 0.000 0.858 285 R HN 0.485 nan 8.270 nan 0.000 0.435 286 E N 0.680 120.843 120.200 -0.062 0.000 2.150 286 E HA -0.184 4.147 4.350 -0.032 0.000 0.193 286 E C 1.756 178.328 176.600 -0.046 0.000 0.985 286 E CA 0.732 57.104 56.400 -0.047 0.000 0.814 286 E CB 0.117 29.791 29.700 -0.044 0.000 0.752 286 E HN 0.128 nan 8.360 nan 0.000 0.466 287 L N 1.058 122.246 121.223 -0.058 0.000 2.179 287 L HA -0.055 4.266 4.340 -0.032 0.000 0.208 287 L C 2.285 179.126 176.870 -0.047 0.000 1.096 287 L CA 1.651 56.459 54.840 -0.054 0.000 0.779 287 L CB -0.300 41.721 42.059 -0.064 0.000 0.922 287 L HN 0.143 nan 8.230 nan 0.000 0.443 288 Q N -0.865 118.907 119.800 -0.047 0.000 2.245 288 Q HA -0.121 4.200 4.340 -0.032 0.000 0.201 288 Q C 1.824 177.806 176.000 -0.031 0.000 0.955 288 Q CA 1.071 56.852 55.803 -0.037 0.000 0.870 288 Q CB 0.115 28.831 28.738 -0.037 0.000 0.945 288 Q HN 0.416 nan 8.270 nan 0.000 0.461 289 K N 0.181 120.563 120.400 -0.031 0.000 2.418 289 K HA -0.065 4.236 4.320 -0.032 0.000 0.195 289 K C 1.112 177.699 176.600 -0.022 0.000 1.035 289 K CA 0.778 57.051 56.287 -0.024 0.000 1.003 289 K CB 0.278 32.764 32.500 -0.023 0.000 0.793 289 K HN 0.264 nan 8.250 nan 0.000 0.494 290 D N 1.304 121.688 120.400 -0.026 0.000 2.346 290 D HA -0.024 4.597 4.640 -0.032 0.000 0.206 290 D C -0.211 176.074 176.300 -0.025 0.000 1.001 290 D CA 0.386 54.371 54.000 -0.024 0.000 0.871 290 D CB 0.535 41.318 40.800 -0.029 0.000 0.943 290 D HN 0.021 nan 8.370 nan 0.000 0.518 291 K N 1.383 121.767 120.400 -0.026 0.000 2.205 291 K HA 0.171 4.472 4.320 -0.032 0.000 0.279 291 K C -0.258 176.330 176.600 -0.019 0.000 1.027 291 K CA -0.345 55.927 56.287 -0.024 0.000 0.932 291 K CB 1.226 33.711 32.500 -0.026 0.000 1.032 291 K HN -0.046 nan 8.250 nan 0.000 0.466 292 E N 1.767 121.957 120.200 -0.017 0.000 2.133 292 E HA 0.131 4.462 4.350 -0.032 0.000 0.274 292 E C 0.423 177.016 176.600 -0.013 0.000 0.930 292 E CA -0.408 55.984 56.400 -0.014 0.000 0.770 292 E CB 1.692 31.384 29.700 -0.012 0.000 1.104 292 E HN 0.725 nan 8.360 nan 0.000 0.403 293 A N 3.444 126.257 122.820 -0.012 0.000 2.159 293 A HA -0.208 4.093 4.320 -0.032 0.000 0.222 293 A C 1.911 179.490 177.584 -0.010 0.000 1.163 293 A CA 2.164 54.194 52.037 -0.011 0.000 0.664 293 A CB -0.646 18.348 19.000 -0.010 0.000 0.803 293 A HN 0.681 nan 8.150 nan 0.000 0.470 294 G N 0.210 109.004 108.800 -0.009 0.000 2.414 294 G HA2 -0.053 3.889 3.960 -0.032 0.000 0.215 294 G HA3 -0.053 3.889 3.960 -0.032 0.000 0.215 294 G C 0.841 175.735 174.900 -0.009 0.000 1.188 294 G CA 0.752 45.847 45.100 -0.008 0.000 0.783 294 G HN 0.735 nan 8.290 nan 0.000 0.537 295 K N 0.746 121.140 120.400 -0.010 0.000 2.118 295 K HA 0.440 4.741 4.320 -0.032 0.000 0.267 295 K C -0.442 176.151 176.600 -0.012 0.000 0.991 295 K CA -0.394 55.886 56.287 -0.010 0.000 0.916 295 K CB 2.087 34.581 32.500 -0.011 0.000 1.041 295 K HN -0.124 nan 8.250 nan 0.000 0.455 296 D N 0.642 121.036 120.400 -0.011 0.000 2.137 296 D HA -0.047 4.574 4.640 -0.032 0.000 0.202 296 D C -0.018 176.273 176.300 -0.013 0.000 0.970 296 D CA 0.826 54.819 54.000 -0.011 0.000 0.837 296 D CB 0.258 41.053 40.800 -0.009 0.000 0.981 296 D HN 0.229 nan 8.370 nan 0.000 0.475 297 V N 1.893 121.799 119.914 -0.014 0.000 2.349 297 V HA 0.315 4.416 4.120 -0.032 0.000 0.284 297 V C -0.552 175.531 176.094 -0.019 0.000 1.014 297 V CA -0.717 61.573 62.300 -0.017 0.000 0.826 297 V CB 1.115 32.929 31.823 -0.015 0.000 1.009 297 V HN 0.084 nan 8.190 nan 0.000 0.431 298 Q N 4.328 124.114 119.800 -0.024 0.000 2.413 298 Q HA 0.762 5.083 4.340 -0.032 0.000 0.276 298 Q C -0.974 175.005 176.000 -0.035 0.000 1.099 298 Q CA -1.199 54.589 55.803 -0.025 0.000 0.814 298 Q CB 2.612 31.335 28.738 -0.024 0.000 1.379 298 Q HN 0.597 nan 8.270 nan 0.000 0.436 299 R N 0.834 121.314 120.500 -0.034 0.000 2.349 299 R HA 0.539 4.860 4.340 -0.032 0.000 0.299 299 R C -0.662 175.608 176.300 -0.051 0.000 1.027 299 R CA -0.469 55.605 56.100 -0.045 0.000 0.958 299 R CB 1.729 32.009 30.300 -0.033 0.000 1.047 299 R HN 0.656 nan 8.270 nan 0.000 0.468 300 S N 0.743 116.396 115.700 -0.079 0.000 2.568 300 S HA 0.194 4.645 4.470 -0.032 0.000 0.293 300 S C 0.069 174.605 174.600 -0.107 0.000 1.089 300 S CA -0.774 57.377 58.200 -0.082 0.000 0.945 300 S CB 1.554 64.698 63.200 -0.093 0.000 1.077 300 S HN 0.704 nan 8.310 nan 0.000 0.485 301 E N 1.880 122.044 120.200 -0.060 0.000 2.474 301 E HA 0.270 4.601 4.350 -0.032 0.000 0.195 301 E C -0.398 176.204 176.600 0.002 0.000 1.039 301 E CA 0.137 56.527 56.400 -0.016 0.000 0.881 301 E CB 0.294 30.018 29.700 0.039 0.000 0.970 301 E HN 0.543 nan 8.360 nan 0.000 0.486 302 I N 1.088 121.616 120.570 -0.070 0.000 2.385 302 I HA 0.163 4.315 4.170 -0.032 0.000 0.294 302 I C -0.628 175.410 176.117 -0.132 0.000 0.988 302 I CA -0.721 60.563 61.300 -0.026 0.000 1.265 302 I CB 0.719 38.700 38.000 -0.031 0.000 1.388 302 I HN -0.076 nan 8.210 nan 0.000 0.480 303 Y N 5.786 126.079 120.300 -0.013 0.000 2.417 303 Y HA 0.151 4.683 4.550 -0.031 0.000 0.336 303 Y C 0.733 176.621 175.900 -0.019 0.000 0.961 303 Y CA -0.511 57.588 58.100 -0.001 0.000 1.215 303 Y CB 1.459 39.930 38.460 0.019 0.000 1.120 303 Y HN 0.500 nan 8.280 nan 0.000 0.499 304 L N 2.115 123.389 121.223 0.084 0.000 2.265 304 L HA -0.072 4.249 4.340 -0.032 0.000 0.215 304 L C 0.221 177.169 176.870 0.130 0.000 1.117 304 L CA 1.810 56.700 54.840 0.082 0.000 0.782 304 L CB -0.227 41.876 42.059 0.074 0.000 0.914 304 L HN 0.614 nan 8.230 nan 0.000 0.441 305 Q N -0.868 119.024 119.800 0.153 0.000 2.456 305 Q HA 0.391 4.712 4.340 -0.032 0.000 0.283 305 Q C -0.924 175.167 176.000 0.151 0.000 1.084 305 Q CA -1.067 54.813 55.803 0.128 0.000 0.801 305 Q CB 2.132 30.939 28.738 0.116 0.000 1.434 305 Q HN -0.095 nan 8.270 nan 0.000 0.419 306 K N 0.197 120.653 120.400 0.093 0.000 2.211 306 K HA 0.653 4.954 4.320 -0.032 0.000 0.237 306 K C -0.435 176.251 176.600 0.144 0.000 1.002 306 K CA -0.647 55.697 56.287 0.095 0.000 0.885 306 K CB 1.032 33.563 32.500 0.051 0.000 1.136 306 K HN 0.753 nan 8.250 nan 0.000 0.448 307 A N 0.683 123.584 122.820 0.135 0.000 2.536 307 A HA -0.009 4.292 4.320 -0.032 0.000 0.234 307 A C 0.597 178.313 177.584 0.220 0.000 1.076 307 A CA 0.234 52.328 52.037 0.096 0.000 0.769 307 A CB -0.250 18.750 19.000 0.001 0.000 1.020 307 A HN 0.609 nan 8.150 nan 0.000 0.508 308 Y N 1.325 121.633 120.300 0.013 0.000 2.151 308 Y HA -0.253 4.277 4.550 -0.032 0.000 0.284 308 Y C 3.021 178.931 175.900 0.017 0.000 1.166 308 Y CA 1.829 59.934 58.100 0.008 0.000 1.163 308 Y CB -1.522 36.940 38.460 0.003 0.000 0.974 308 Y HN 0.805 nan 8.280 nan 0.000 0.511 309 S N -0.366 115.443 115.700 0.183 0.000 2.440 309 S HA -0.152 4.300 4.470 -0.032 0.000 0.240 309 S C 1.500 176.164 174.600 0.106 0.000 1.014 309 S CA 1.379 59.644 58.200 0.108 0.000 0.980 309 S CB -0.765 62.467 63.200 0.053 0.000 0.775 309 S HN 0.502 nan 8.310 nan 0.000 0.499 310 L N -0.312 120.988 121.223 0.128 0.000 2.959 310 L HA 0.468 4.789 4.340 -0.032 0.000 0.259 310 L C 2.084 179.046 176.870 0.152 0.000 1.185 310 L CA -0.066 54.862 54.840 0.148 0.000 0.998 310 L CB 0.192 42.339 42.059 0.146 0.000 1.337 310 L HN 0.271 nan 8.230 nan 0.000 0.555 311 R N 0.128 120.685 120.500 0.095 0.000 2.573 311 R HA 0.265 4.586 4.340 -0.032 0.000 0.224 311 R C 1.186 177.440 176.300 -0.076 0.000 0.904 311 R CA 0.717 56.795 56.100 -0.038 0.000 0.995 311 R CB 0.430 30.721 30.300 -0.015 0.000 1.430 311 R HN 0.079 nan 8.270 nan 0.000 0.631 312 A N 0.848 123.666 122.820 -0.002 0.000 2.577 312 A HA 0.256 4.557 4.320 -0.032 0.000 0.280 312 A C 0.927 178.537 177.584 0.043 0.000 1.331 312 A CA -0.255 51.764 52.037 -0.029 0.000 0.935 312 A CB -0.207 18.734 19.000 -0.098 0.000 1.082 312 A HN 0.213 nan 8.150 nan 0.000 0.525 313 I N 0.596 121.239 120.570 0.121 0.000 2.179 313 I HA -0.120 4.031 4.170 -0.032 0.000 0.242 313 I C -0.635 175.549 176.117 0.111 0.000 1.088 313 I CA 1.602 62.989 61.300 0.144 0.000 1.357 313 I CB -1.043 37.102 38.000 0.241 0.000 1.051 313 I HN 0.189 nan 8.210 nan 0.000 0.409 314 P HA -0.158 nan 4.420 nan 0.000 0.216 314 P C 1.595 178.933 177.300 0.063 0.000 1.153 314 P CA 1.302 64.447 63.100 0.076 0.000 0.848 314 P CB 0.015 31.740 31.700 0.040 0.000 0.787 315 Q N -0.777 119.064 119.800 0.067 0.000 2.050 315 Q HA -0.099 4.222 4.340 -0.032 0.000 0.202 315 Q C 2.162 178.143 176.000 -0.031 0.000 0.980 315 Q CA 1.425 57.236 55.803 0.013 0.000 0.840 315 Q CB -1.499 27.225 28.738 -0.023 0.000 0.898 315 Q HN 0.087 nan 8.270 nan 0.000 0.424 316 V N -0.528 119.376 119.914 -0.018 0.000 2.283 316 V HA -0.162 3.939 4.120 -0.032 0.000 0.243 316 V C 2.076 178.152 176.094 -0.029 0.000 1.039 316 V CA 1.342 63.627 62.300 -0.025 0.000 1.016 316 V CB -0.494 31.327 31.823 -0.003 0.000 0.650 316 V HN 0.162 nan 8.190 nan 0.000 0.449 317 V N 1.077 120.983 119.914 -0.013 0.000 2.626 317 V HA -0.108 3.993 4.120 -0.032 0.000 0.252 317 V C 2.589 178.652 176.094 -0.052 0.000 1.067 317 V CA 1.862 64.148 62.300 -0.024 0.000 1.081 317 V CB -1.364 30.456 31.823 -0.007 0.000 0.686 317 V HN 0.602 nan 8.190 nan 0.000 0.468 318 G N 0.059 108.834 108.800 -0.042 0.000 2.421 318 G HA2 -0.220 3.721 3.960 -0.032 0.000 0.216 318 G HA3 -0.220 3.721 3.960 -0.032 0.000 0.216 318 G C 1.798 176.633 174.900 -0.108 0.000 1.171 318 G CA 1.063 46.130 45.100 -0.054 0.000 0.775 318 G HN 0.586 nan 8.290 nan 0.000 0.543 319 A N 0.121 122.872 122.820 -0.114 0.000 1.883 319 A HA 0.010 4.311 4.320 -0.032 0.000 0.217 319 A C 2.632 180.139 177.584 -0.130 0.000 1.186 319 A CA 2.021 53.974 52.037 -0.141 0.000 0.624 319 A CB -0.805 18.114 19.000 -0.135 0.000 0.822 319 A HN 0.282 nan 8.150 nan 0.000 0.444 320 V N -0.154 119.698 119.914 -0.104 0.000 2.287 320 V HA -0.313 3.788 4.120 -0.032 0.000 0.248 320 V C 2.658 178.655 176.094 -0.162 0.000 1.053 320 V CA 2.418 64.664 62.300 -0.090 0.000 1.027 320 V CB -0.824 30.966 31.823 -0.054 0.000 0.646 320 V HN 0.544 nan 8.190 nan 0.000 0.447 321 R N -0.279 120.073 120.500 -0.247 0.000 2.096 321 R HA -0.200 4.121 4.340 -0.032 0.000 0.240 321 R C 2.173 177.968 176.300 -0.843 0.000 1.139 321 R CA 2.012 57.782 56.100 -0.550 0.000 0.952 321 R CB -0.538 29.444 30.300 -0.529 0.000 0.854 321 R HN 0.528 nan 8.270 nan 0.000 0.436 322 D N -0.430 119.684 120.400 -0.476 0.000 2.116 322 D HA -0.145 4.476 4.640 -0.032 0.000 0.193 322 D C 1.851 178.106 176.300 -0.075 0.000 0.998 322 D CA 1.820 55.688 54.000 -0.221 0.000 0.836 322 D CB -0.399 40.353 40.800 -0.079 0.000 0.951 322 D HN 0.233 nan 8.370 nan 0.000 0.449 323 T N 1.267 115.777 114.554 -0.074 0.000 2.684 323 T HA -0.107 4.224 4.350 -0.032 0.000 0.267 323 T C 2.243 177.020 174.700 0.128 0.000 1.036 323 T CA 0.680 62.806 62.100 0.044 0.000 1.148 323 T CB -0.338 68.546 68.868 0.027 0.000 0.863 323 T HN 0.148 nan 8.240 nan 0.000 0.436 324 L N -0.412 120.821 121.223 0.018 0.000 2.083 324 L HA -0.085 4.236 4.340 -0.032 0.000 0.209 324 L C 2.524 179.522 176.870 0.213 0.000 1.083 324 L CA 1.229 56.117 54.840 0.080 0.000 0.752 324 L CB -0.672 41.393 42.059 0.010 0.000 0.899 324 L HN 0.255 nan 8.230 nan 0.000 0.433 325 Y N -1.042 119.335 120.300 0.130 0.000 2.293 325 Y HA -0.238 4.294 4.550 -0.031 0.000 0.291 325 Y C 2.729 178.737 175.900 0.181 0.000 1.137 325 Y CA 0.912 59.086 58.100 0.123 0.000 1.202 325 Y CB -1.110 37.408 38.460 0.096 0.000 0.990 325 Y HN 0.291 nan 8.280 nan 0.000 0.537 326 H N -0.286 118.951 119.070 0.277 0.000 2.333 326 H HA -0.069 4.468 4.556 -0.032 0.000 0.302 326 H C 2.143 177.621 175.328 0.250 0.000 1.075 326 H CA 1.256 57.459 56.048 0.259 0.000 1.348 326 H CB 0.145 30.033 29.762 0.210 0.000 1.393 326 H HN 0.270 nan 8.280 nan 0.000 0.509 327 A N 1.411 124.356 122.820 0.208 0.000 1.930 327 A HA -0.154 4.147 4.320 -0.032 0.000 0.217 327 A C 2.548 180.179 177.584 0.078 0.000 1.175 327 A CA 1.379 53.484 52.037 0.114 0.000 0.627 327 A CB -0.627 18.472 19.000 0.165 0.000 0.815 327 A HN 0.439 nan 8.150 nan 0.000 0.443 328 R N -1.260 119.322 120.500 0.138 0.000 2.092 328 R HA -0.173 4.148 4.340 -0.032 0.000 0.231 328 R C 2.183 178.557 176.300 0.123 0.000 1.119 328 R CA 1.607 57.782 56.100 0.123 0.000 0.970 328 R CB -0.515 29.878 30.300 0.155 0.000 0.864 328 R HN 0.842 nan 8.270 nan 0.000 0.440 329 H N 0.378 119.459 119.070 0.019 0.000 2.293 329 H HA -0.093 4.444 4.556 -0.032 0.000 0.300 329 H C 1.448 176.750 175.328 -0.044 0.000 1.082 329 H CA 1.364 57.406 56.048 -0.010 0.000 1.308 329 H CB 0.292 30.051 29.762 -0.006 0.000 1.375 329 H HN 0.036 nan 8.280 nan 0.000 0.495 330 K N 0.771 121.046 120.400 -0.208 0.000 2.063 330 K HA -0.138 4.163 4.320 -0.032 0.000 0.208 330 K C 2.523 179.042 176.600 -0.133 0.000 1.048 330 K CA 0.851 56.986 56.287 -0.253 0.000 0.928 330 K CB -0.528 31.847 32.500 -0.210 0.000 0.713 330 K HN 0.380 nan 8.250 nan 0.000 0.442 331 L N 0.360 121.547 121.223 -0.060 0.000 2.083 331 L HA -0.146 4.175 4.340 -0.032 0.000 0.209 331 L C 2.814 179.670 176.870 -0.024 0.000 1.083 331 L CA 1.134 55.958 54.840 -0.026 0.000 0.752 331 L CB -0.351 41.711 42.059 0.006 0.000 0.899 331 L HN 0.188 nan 8.230 nan 0.000 0.433 332 R N 0.566 121.058 120.500 -0.014 0.000 2.081 332 R HA -0.143 4.178 4.340 -0.032 0.000 0.235 332 R C 2.294 178.580 176.300 -0.023 0.000 1.131 332 R CA 1.422 57.524 56.100 0.003 0.000 0.960 332 R CB -0.165 30.166 30.300 0.052 0.000 0.856 332 R HN 0.310 nan 8.270 nan 0.000 0.436 333 I N 0.592 121.115 120.570 -0.078 0.000 2.252 333 I HA -0.211 3.940 4.170 -0.032 0.000 0.245 333 I C 2.305 178.390 176.117 -0.055 0.000 1.102 333 I CA 0.959 62.209 61.300 -0.084 0.000 1.385 333 I CB -0.282 37.620 38.000 -0.165 0.000 1.064 333 I HN 0.187 nan 8.210 nan 0.000 0.414 334 E N 0.971 121.137 120.200 -0.057 0.000 2.077 334 E HA -0.158 4.174 4.350 -0.032 0.000 0.193 334 E C 2.371 178.960 176.600 -0.018 0.000 0.989 334 E CA 1.113 57.493 56.400 -0.034 0.000 0.800 334 E CB -0.263 29.417 29.700 -0.033 0.000 0.746 334 E HN 0.469 nan 8.360 nan 0.000 0.452 335 L N 1.100 122.314 121.223 -0.016 0.000 2.042 335 L HA -0.186 4.136 4.340 -0.032 0.000 0.210 335 L C 1.239 178.107 176.870 -0.003 0.000 1.076 335 L CA 1.015 55.850 54.840 -0.008 0.000 0.749 335 L CB -0.261 41.795 42.059 -0.005 0.000 0.893 335 L HN 0.032 nan 8.230 nan 0.000 0.432 336 N N 0.147 118.846 118.700 -0.001 0.000 2.451 336 N HA 0.068 4.789 4.740 -0.032 0.000 0.264 336 N C -0.155 175.364 175.510 0.014 0.000 1.167 336 N CA 0.095 53.149 53.050 0.008 0.000 0.898 336 N CB 0.477 38.970 38.487 0.011 0.000 1.176 336 N HN 0.258 nan 8.380 nan 0.000 0.507 337 S N -1.133 114.573 115.700 0.010 0.000 2.648 337 S HA 0.703 5.154 4.470 -0.032 0.000 0.305 337 S C 0.065 174.682 174.600 0.029 0.000 1.094 337 S CA -0.921 57.287 58.200 0.013 0.000 0.983 337 S CB 2.397 65.594 63.200 -0.006 0.000 1.101 337 S HN 0.101 nan 8.310 nan 0.000 0.514 338 A N 2.509 125.351 122.820 0.037 0.000 3.157 338 A HA 0.287 4.588 4.320 -0.032 0.000 0.276 338 A C 0.558 178.164 177.584 0.036 0.000 1.524 338 A CA -0.924 51.142 52.037 0.048 0.000 1.236 338 A CB -1.171 17.863 19.000 0.057 0.000 1.173 338 A HN 0.753 nan 8.150 nan 0.000 0.595 339 N N 1.377 120.100 118.700 0.037 0.000 2.605 339 N HA 0.221 4.942 4.740 -0.032 0.000 0.258 339 N C -0.938 174.626 175.510 0.089 0.000 1.156 339 N CA 0.092 53.174 53.050 0.054 0.000 1.008 339 N CB 0.768 39.281 38.487 0.044 0.000 1.354 339 N HN 0.509 nan 8.380 nan 0.000 0.509 340 D N 0.690 121.160 120.400 0.117 0.000 2.692 340 D HA 0.439 5.060 4.640 -0.032 0.000 0.290 340 D C -1.889 174.534 176.300 0.205 0.000 1.281 340 D CA -0.550 53.541 54.000 0.150 0.000 0.804 340 D CB 1.411 42.255 40.800 0.074 0.000 1.331 340 D HN 0.424 nan 8.370 nan 0.000 0.432 341 N N -0.230 118.608 118.700 0.230 0.000 2.555 341 N HA 0.460 5.181 4.740 -0.032 0.000 0.265 341 N C -2.954 172.673 175.510 0.196 0.000 1.135 341 N CA -1.003 52.189 53.050 0.237 0.000 0.925 341 N CB 2.786 41.493 38.487 0.366 0.000 1.662 341 N HN 0.118 nan 8.380 nan 0.000 0.489 342 P HA 0.357 nan 4.420 nan 0.000 0.282 342 P C -0.918 176.413 177.300 0.052 0.000 1.287 342 P CA -0.422 62.644 63.100 -0.056 0.000 0.792 342 P CB 1.350 32.791 31.700 -0.431 0.000 1.163 343 L N -0.469 120.849 121.223 0.159 0.000 2.341 343 L HA 0.501 4.823 4.340 -0.032 0.000 0.267 343 L C -0.194 176.667 176.870 -0.016 0.000 1.009 343 L CA -0.976 53.883 54.840 0.032 0.000 0.819 343 L CB 1.666 43.703 42.059 -0.036 0.000 1.323 343 L HN 0.275 nan 8.230 nan 0.000 0.425 344 F N 2.126 121.866 119.950 -0.350 0.000 2.427 344 F HA 0.587 5.095 4.527 -0.032 0.000 0.346 344 F C -1.175 174.364 175.800 -0.435 0.000 1.120 344 F CA -0.583 57.285 58.000 -0.221 0.000 1.033 344 F CB 0.847 39.774 39.000 -0.121 0.000 1.126 344 F HN 0.087 nan 8.300 nan 0.000 0.462 345 F N 4.680 124.254 119.950 -0.626 0.000 2.577 345 F HA 0.230 4.738 4.527 -0.032 0.000 0.344 345 F C 0.027 175.382 175.800 -0.741 0.000 1.145 345 F CA -0.998 56.731 58.000 -0.452 0.000 0.996 345 F CB 1.228 40.079 39.000 -0.249 0.000 1.248 345 F HN 0.476 nan 8.300 nan 0.000 0.447 346 E N 2.073 121.956 120.200 -0.528 0.000 2.708 346 E HA 0.202 4.533 4.350 -0.032 0.000 0.260 346 E C 1.226 177.759 176.600 -0.112 0.000 0.937 346 E CA 1.323 57.548 56.400 -0.291 0.000 0.953 346 E CB 0.350 30.068 29.700 0.030 0.000 0.915 346 E HN 1.001 nan 8.360 nan 0.000 0.487 347 G N 3.641 112.413 108.800 -0.046 0.000 2.160 347 G HA2 -0.298 3.643 3.960 -0.032 0.000 0.251 347 G HA3 -0.298 3.643 3.960 -0.032 0.000 0.251 347 G C -0.193 174.703 174.900 -0.007 0.000 1.008 347 G CA 0.722 45.824 45.100 0.003 0.000 0.724 347 G HN 0.516 nan 8.290 nan 0.000 0.514 348 K N -0.942 119.440 120.400 -0.030 0.000 2.533 348 K HA 0.494 4.795 4.320 -0.032 0.000 0.272 348 K C -0.353 176.287 176.600 0.066 0.000 0.985 348 K CA -1.099 55.198 56.287 0.017 0.000 0.876 348 K CB 1.730 34.246 32.500 0.027 0.000 1.452 348 K HN 0.074 nan 8.250 nan 0.000 0.439 349 E N 1.330 121.594 120.200 0.107 0.000 2.408 349 E HA 0.086 4.417 4.350 -0.032 0.000 0.259 349 E C -0.262 176.485 176.600 0.246 0.000 1.110 349 E CA -0.296 56.196 56.400 0.153 0.000 0.929 349 E CB 0.483 30.254 29.700 0.119 0.000 0.971 349 E HN 0.273 nan 8.360 nan 0.000 0.438 350 I N 3.983 124.740 120.570 0.311 0.000 2.668 350 I HA -0.069 4.082 4.170 -0.032 0.000 0.285 350 I C 0.437 176.845 176.117 0.486 0.000 1.168 350 I CA 0.274 61.825 61.300 0.419 0.000 1.424 350 I CB -0.810 37.490 38.000 0.501 0.000 1.377 350 I HN 0.500 nan 8.210 nan 0.000 0.560 351 F N 7.641 127.777 119.950 0.310 0.000 2.472 351 F HA 0.157 4.665 4.527 -0.032 0.000 0.364 351 F C 0.105 176.014 175.800 0.180 0.000 1.090 351 F CA -0.091 58.081 58.000 0.286 0.000 1.188 351 F CB 0.023 39.258 39.000 0.392 0.000 1.105 351 F HN 0.364 nan 8.300 nan 0.000 0.536 352 H N 5.048 123.788 119.070 -0.550 0.000 2.691 352 H HA 0.513 5.050 4.556 -0.031 0.000 0.281 352 H C 0.447 175.333 175.328 -0.737 0.000 1.121 352 H CA -0.149 55.641 56.048 -0.431 0.000 1.254 352 H CB 0.800 30.456 29.762 -0.177 0.000 1.390 352 H HN 0.783 nan 8.280 nan 0.000 0.491 353 G N 0.692 109.063 108.800 -0.715 0.000 3.291 353 G HA2 0.594 4.535 3.960 -0.032 0.000 0.173 353 G HA3 0.594 4.535 3.960 -0.032 0.000 0.173 353 G C -0.764 173.981 174.900 -0.257 0.000 1.099 353 G CA -0.219 44.582 45.100 -0.499 0.000 0.794 353 G HN 0.510 nan 8.290 nan 0.000 0.651 354 A N -0.226 122.393 122.820 -0.334 0.000 3.292 354 A HA 0.426 4.727 4.320 -0.032 0.000 0.231 354 A C 0.336 177.401 177.584 -0.865 0.000 0.952 354 A CA -0.323 51.104 52.037 -1.017 0.000 1.044 354 A CB -0.155 18.456 19.000 -0.647 0.000 1.236 354 A HN 0.245 nan 8.150 nan 0.000 0.525 355 N N 0.168 118.605 118.700 -0.438 0.000 2.521 355 N HA 0.019 4.740 4.740 -0.032 0.000 0.188 355 N C 0.905 176.342 175.510 -0.122 0.000 1.146 355 N CA 0.717 53.660 53.050 -0.178 0.000 0.893 355 N CB -0.344 38.144 38.487 0.002 0.000 0.975 355 N HN 0.767 nan 8.380 nan 0.000 0.451 356 F N -1.324 118.679 119.950 0.089 0.000 2.743 356 F HA 0.228 4.736 4.527 -0.032 0.000 0.297 356 F C 0.929 176.747 175.800 0.031 0.000 1.131 356 F CA -0.400 57.628 58.000 0.046 0.000 1.426 356 F CB -0.969 38.050 39.000 0.031 0.000 1.116 356 F HN -0.020 nan 8.300 nan 0.000 0.583 357 H N 2.038 121.111 119.070 0.006 0.000 2.955 357 H HA 0.250 4.788 4.556 -0.031 0.000 0.290 357 H C 1.080 176.404 175.328 -0.006 0.000 1.047 357 H CA 0.177 56.263 56.048 0.063 0.000 1.484 357 H CB 1.308 31.018 29.762 -0.085 0.000 1.501 357 H HN 0.376 nan 8.280 nan 0.000 0.521 358 G N 3.954 112.790 108.800 0.060 0.000 3.327 358 G HA2 -0.110 3.832 3.960 -0.032 0.000 0.240 358 G HA3 -0.110 3.832 3.960 -0.032 0.000 0.240 358 G C 1.301 176.202 174.900 0.002 0.000 1.222 358 G CA -0.210 44.909 45.100 0.031 0.000 0.871 358 G HN 0.510 nan 8.290 nan 0.000 0.525 359 Q N 1.725 121.582 119.800 0.095 0.000 2.045 359 Q HA -0.109 4.212 4.340 -0.032 0.000 0.206 359 Q C 0.344 176.167 176.000 -0.296 0.000 0.991 359 Q CA 2.297 57.977 55.803 -0.204 0.000 0.851 359 Q CB -0.667 27.908 28.738 -0.272 0.000 0.911 359 Q HN 0.404 nan 8.270 nan 0.000 0.418 360 P HA -0.180 nan 4.420 nan 0.000 0.216 360 P C 0.887 178.184 177.300 -0.005 0.000 1.150 360 P CA 1.281 64.376 63.100 -0.008 0.000 0.843 360 P CB -0.039 31.660 31.700 -0.001 0.000 0.787 361 I N -0.307 120.238 120.570 -0.042 0.000 2.585 361 I HA -0.006 4.145 4.170 -0.032 0.000 0.254 361 I C 2.634 178.716 176.117 -0.059 0.000 1.129 361 I CA 0.687 61.966 61.300 -0.036 0.000 1.455 361 I CB -1.958 36.025 38.000 -0.028 0.000 1.111 361 I HN -0.098 nan 8.210 nan 0.000 0.433 362 A N 1.276 124.037 122.820 -0.098 0.000 1.892 362 A HA -0.236 4.065 4.320 -0.032 0.000 0.218 362 A C 2.153 179.671 177.584 -0.109 0.000 1.188 362 A CA 1.698 53.665 52.037 -0.117 0.000 0.631 362 A CB -0.891 18.000 19.000 -0.182 0.000 0.822 362 A HN 0.261 nan 8.150 nan 0.000 0.447 363 F N -0.053 119.747 119.950 -0.251 0.000 2.084 363 F HA -0.042 4.465 4.527 -0.033 0.000 0.296 363 F C 2.908 178.065 175.800 -1.072 0.000 1.111 363 F CA 0.321 57.955 58.000 -0.610 0.000 1.224 363 F CB -1.286 37.496 39.000 -0.363 0.000 0.991 363 F HN 0.282 nan 8.300 nan 0.000 0.471 364 A N -0.032 122.627 122.820 -0.268 0.000 1.892 364 A HA -0.252 4.049 4.320 -0.032 0.000 0.218 364 A C 2.211 179.754 177.584 -0.067 0.000 1.188 364 A CA 2.168 54.160 52.037 -0.075 0.000 0.631 364 A CB -0.664 18.366 19.000 0.051 0.000 0.822 364 A HN 0.230 nan 8.150 nan 0.000 0.447 365 M N -0.473 119.082 119.600 -0.075 0.000 2.254 365 M HA -0.069 4.392 4.480 -0.032 0.000 0.265 365 M C 1.358 177.652 176.300 -0.010 0.000 1.066 365 M CA 1.176 56.470 55.300 -0.010 0.000 1.123 365 M CB -1.627 30.974 32.600 0.000 0.000 1.388 365 M HN 0.303 nan 8.290 nan 0.000 0.425 366 D N 0.054 120.393 120.400 -0.101 0.000 2.178 366 D HA -0.103 4.519 4.640 -0.032 0.000 0.201 366 D C 1.806 178.187 176.300 0.136 0.000 0.980 366 D CA 1.001 54.992 54.000 -0.016 0.000 0.842 366 D CB -0.099 40.679 40.800 -0.037 0.000 0.948 366 D HN 0.212 nan 8.370 nan 0.000 0.472 367 F N 0.108 120.117 119.950 0.099 0.000 2.206 367 F HA -0.039 4.470 4.527 -0.031 0.000 0.298 367 F C 2.465 178.299 175.800 0.057 0.000 1.090 367 F CA 0.104 58.144 58.000 0.067 0.000 1.323 367 F CB -1.158 37.892 39.000 0.083 0.000 1.028 367 F HN -0.142 nan 8.300 nan 0.000 0.492 368 V N -0.327 119.734 119.914 0.245 0.000 2.407 368 V HA -0.277 3.824 4.120 -0.032 0.000 0.248 368 V C 2.299 178.461 176.094 0.114 0.000 1.055 368 V CA 2.312 64.703 62.300 0.152 0.000 1.049 368 V CB -1.180 30.714 31.823 0.118 0.000 0.662 368 V HN 0.352 nan 8.190 nan 0.000 0.455 369 T N 0.301 114.921 114.554 0.110 0.000 2.684 369 T HA -0.159 4.172 4.350 -0.032 0.000 0.267 369 T C 1.800 176.552 174.700 0.085 0.000 1.036 369 T CA 1.897 64.049 62.100 0.087 0.000 1.148 369 T CB -0.270 68.646 68.868 0.080 0.000 0.863 369 T HN 0.349 nan 8.240 nan 0.000 0.436 370 I N 1.151 121.787 120.570 0.109 0.000 2.163 370 I HA -0.162 3.989 4.170 -0.032 0.000 0.240 370 I C 2.925 179.077 176.117 0.060 0.000 1.081 370 I CA 1.131 62.482 61.300 0.086 0.000 1.353 370 I CB -0.538 37.524 38.000 0.104 0.000 1.054 370 I HN 0.182 nan 8.210 nan 0.000 0.407 371 A N 1.002 123.862 122.820 0.067 0.000 1.873 371 A HA -0.212 4.089 4.320 -0.032 0.000 0.218 371 A C 2.309 179.912 177.584 0.031 0.000 1.193 371 A CA 1.694 53.752 52.037 0.035 0.000 0.629 371 A CB -1.080 17.944 19.000 0.040 0.000 0.826 371 A HN 0.405 nan 8.150 nan 0.000 0.447 372 L N -0.808 120.443 121.223 0.045 0.000 2.131 372 L HA -0.155 4.166 4.340 -0.032 0.000 0.210 372 L C 2.754 179.646 176.870 0.038 0.000 1.092 372 L CA 1.634 56.499 54.840 0.041 0.000 0.759 372 L CB -0.900 41.189 42.059 0.049 0.000 0.903 372 L HN 0.389 nan 8.230 nan 0.000 0.435 373 T N -1.094 113.484 114.554 0.041 0.000 2.720 373 T HA -0.282 4.050 4.350 -0.032 0.000 0.268 373 T C 1.832 176.550 174.700 0.030 0.000 1.037 373 T CA 1.589 63.712 62.100 0.037 0.000 1.144 373 T CB -0.124 68.768 68.868 0.040 0.000 0.864 373 T HN 0.214 nan 8.240 nan 0.000 0.444 374 Q N 0.516 120.330 119.800 0.024 0.000 2.119 374 Q HA 0.010 4.332 4.340 -0.032 0.000 0.201 374 Q C 2.076 178.086 176.000 0.017 0.000 0.972 374 Q CA 0.996 56.809 55.803 0.017 0.000 0.847 374 Q CB -0.654 28.088 28.738 0.007 0.000 0.903 374 Q HN 0.403 nan 8.270 nan 0.000 0.433 375 L N -0.281 120.952 121.223 0.017 0.000 2.042 375 L HA -0.039 4.282 4.340 -0.032 0.000 0.210 375 L C 1.999 178.882 176.870 0.021 0.000 1.076 375 L CA 2.396 57.246 54.840 0.016 0.000 0.749 375 L CB -1.045 41.026 42.059 0.019 0.000 0.893 375 L HN 0.337 nan 8.230 nan 0.000 0.432 376 G N -1.627 107.190 108.800 0.027 0.000 2.408 376 G HA2 -0.154 3.787 3.960 -0.032 0.000 0.217 376 G HA3 -0.154 3.787 3.960 -0.032 0.000 0.217 376 G C 1.528 176.444 174.900 0.027 0.000 1.150 376 G CA 0.870 45.988 45.100 0.030 0.000 0.776 376 G HN 0.321 nan 8.290 nan 0.000 0.542 377 V N 0.793 120.722 119.914 0.026 0.000 2.295 377 V HA -0.147 3.954 4.120 -0.032 0.000 0.246 377 V C 2.671 178.779 176.094 0.023 0.000 1.049 377 V CA 1.646 63.961 62.300 0.025 0.000 1.024 377 V CB -0.495 31.344 31.823 0.025 0.000 0.648 377 V HN 0.363 nan 8.190 nan 0.000 0.447 378 L N 0.991 122.228 121.223 0.022 0.000 2.012 378 L HA -0.121 4.200 4.340 -0.032 0.000 0.210 378 L C 2.469 179.345 176.870 0.011 0.000 1.073 378 L CA 2.486 57.339 54.840 0.022 0.000 0.748 378 L CB -1.124 40.949 42.059 0.022 0.000 0.891 378 L HN 0.226 nan 8.230 nan 0.000 0.431 379 A N -0.481 122.343 122.820 0.006 0.000 1.883 379 A HA -0.285 4.016 4.320 -0.032 0.000 0.217 379 A C 2.219 179.801 177.584 -0.004 0.000 1.186 379 A CA 1.872 53.905 52.037 -0.006 0.000 0.624 379 A CB -0.904 18.097 19.000 0.002 0.000 0.822 379 A HN 0.628 nan 8.150 nan 0.000 0.444 380 E N 0.135 120.342 120.200 0.011 0.000 2.070 380 E HA -0.238 4.093 4.350 -0.032 0.000 0.197 380 E C 2.041 178.644 176.600 0.006 0.000 1.004 380 E CA 1.831 58.241 56.400 0.017 0.000 0.805 380 E CB -0.266 29.451 29.700 0.028 0.000 0.744 380 E HN 0.431 nan 8.360 nan 0.000 0.451 381 R N 0.072 120.574 120.500 0.003 0.000 2.148 381 R HA -0.038 4.283 4.340 -0.032 0.000 0.227 381 R C 2.407 178.691 176.300 -0.027 0.000 1.103 381 R CA 1.455 57.550 56.100 -0.008 0.000 0.983 381 R CB -0.388 29.912 30.300 0.000 0.000 0.874 381 R HN 0.502 nan 8.270 nan 0.000 0.451 382 Q N -0.013 119.772 119.800 -0.026 0.000 2.172 382 Q HA 0.018 4.339 4.340 -0.032 0.000 0.200 382 Q C 2.140 178.099 176.000 -0.068 0.000 0.964 382 Q CA 0.835 56.612 55.803 -0.043 0.000 0.855 382 Q CB -0.009 28.704 28.738 -0.042 0.000 0.918 382 Q HN 0.291 nan 8.270 nan 0.000 0.444 383 I N 0.928 121.464 120.570 -0.056 0.000 2.226 383 I HA -0.281 3.870 4.170 -0.032 0.000 0.245 383 I C 2.131 178.203 176.117 -0.076 0.000 1.100 383 I CA 1.079 62.342 61.300 -0.063 0.000 1.374 383 I CB -0.196 37.791 38.000 -0.021 0.000 1.057 383 I HN 0.251 nan 8.210 nan 0.000 0.413 384 N N 0.838 119.504 118.700 -0.057 0.000 2.166 384 N HA -0.238 4.483 4.740 -0.032 0.000 0.186 384 N C 1.920 177.350 175.510 -0.132 0.000 1.019 384 N CA 1.277 54.285 53.050 -0.070 0.000 0.856 384 N CB -0.033 38.432 38.487 -0.036 0.000 0.993 384 N HN 0.014 nan 8.380 nan 0.000 0.426 385 R N 0.188 120.612 120.500 -0.127 0.000 2.080 385 R HA -0.096 4.225 4.340 -0.032 0.000 0.236 385 R C 2.066 178.236 176.300 -0.216 0.000 1.137 385 R CA 1.947 57.944 56.100 -0.172 0.000 0.943 385 R CB -0.830 29.393 30.300 -0.128 0.000 0.846 385 R HN 0.303 nan 8.270 nan 0.000 0.431 386 V N -1.316 118.489 119.914 -0.181 0.000 2.548 386 V HA -0.083 4.018 4.120 -0.032 0.000 0.249 386 V C 2.108 178.053 176.094 -0.248 0.000 1.055 386 V CA 1.559 63.742 62.300 -0.196 0.000 1.065 386 V CB -0.723 30.995 31.823 -0.174 0.000 0.681 386 V HN 0.222 nan 8.190 nan 0.000 0.462 387 L N 0.465 121.527 121.223 -0.268 0.000 2.376 387 L HA 0.108 4.429 4.340 -0.032 0.000 0.219 387 L C 1.196 177.642 176.870 -0.707 0.000 1.133 387 L CA 0.676 55.279 54.840 -0.395 0.000 0.816 387 L CB -0.550 41.358 42.059 -0.253 0.000 0.933 387 L HN 0.392 nan 8.230 nan 0.000 0.449 388 N N 1.132 119.533 118.700 -0.498 0.000 2.420 388 N HA 0.043 4.765 4.740 -0.032 0.000 0.249 388 N C 1.184 176.453 175.510 -0.402 0.000 1.033 388 N CA -0.196 52.563 53.050 -0.484 0.000 0.944 388 N CB 1.135 39.455 38.487 -0.278 0.000 1.113 388 N HN 0.227 nan 8.380 nan 0.000 0.502 389 R N 3.000 123.231 120.500 -0.449 0.000 2.159 389 R HA -0.133 4.188 4.340 -0.032 0.000 0.237 389 R C 0.619 176.758 176.300 -0.268 0.000 1.131 389 R CA 1.517 57.412 56.100 -0.341 0.000 0.982 389 R CB -0.518 29.584 30.300 -0.329 0.000 0.868 389 R HN 0.632 nan 8.270 nan 0.000 0.453 390 H N -0.090 118.883 119.070 -0.161 0.000 2.529 390 H HA 0.145 4.681 4.556 -0.032 0.000 0.277 390 H C 1.378 176.575 175.328 -0.218 0.000 0.999 390 H CA 0.965 56.933 56.048 -0.134 0.000 1.256 390 H CB 0.293 29.998 29.762 -0.095 0.000 1.402 390 H HN 0.180 nan 8.280 nan 0.000 0.566 391 L N -0.879 120.213 121.223 -0.219 0.000 2.803 391 L HA 0.093 4.414 4.340 -0.032 0.000 0.246 391 L C 2.058 178.493 176.870 -0.726 0.000 1.100 391 L CA 0.322 54.892 54.840 -0.450 0.000 0.919 391 L CB 0.159 42.011 42.059 -0.345 0.000 1.285 391 L HN 0.130 nan 8.230 nan 0.000 0.522 392 S N -0.645 114.777 115.700 -0.463 0.000 2.537 392 S HA -0.190 4.261 4.470 -0.032 0.000 0.240 392 S C 0.537 174.990 174.600 -0.245 0.000 0.981 392 S CA 0.258 58.239 58.200 -0.365 0.000 0.948 392 S CB -0.553 62.509 63.200 -0.230 0.000 0.759 392 S HN 0.469 nan 8.310 nan 0.000 0.531 393 Y N 0.118 120.369 120.300 -0.082 0.000 3.568 393 Y HA -0.063 4.468 4.550 -0.031 0.000 0.220 393 Y C 1.351 177.233 175.900 -0.030 0.000 1.319 393 Y CA 0.409 58.478 58.100 -0.052 0.000 1.629 393 Y CB -2.027 36.399 38.460 -0.057 0.000 1.515 393 Y HN 0.679 nan 8.280 nan 0.000 0.613 394 G N -1.657 107.180 108.800 0.062 0.000 2.184 394 G HA2 -0.225 3.716 3.960 -0.032 0.000 0.206 394 G HA3 -0.225 3.716 3.960 -0.032 0.000 0.206 394 G C 0.082 174.985 174.900 0.006 0.000 0.995 394 G CA -0.225 44.900 45.100 0.042 0.000 0.651 394 G HN 0.440 nan 8.290 nan 0.000 0.511 395 L N 2.241 123.449 121.223 -0.025 0.000 2.421 395 L HA 0.489 4.810 4.340 -0.032 0.000 0.263 395 L C -1.186 175.650 176.870 -0.057 0.000 1.122 395 L CA -2.094 52.721 54.840 -0.041 0.000 0.804 395 L CB 0.678 42.699 42.059 -0.065 0.000 1.150 395 L HN -0.012 nan 8.230 nan 0.000 0.457 396 P HA 0.038 nan 4.420 nan 0.000 0.272 396 P C -1.034 176.241 177.300 -0.042 0.000 1.230 396 P CA -0.528 62.560 63.100 -0.021 0.000 0.788 396 P CB 0.365 32.072 31.700 0.012 0.000 0.949 397 E N 2.118 122.308 120.200 -0.017 0.000 2.480 397 E HA -0.110 4.222 4.350 -0.032 0.000 0.258 397 E C -0.257 176.434 176.600 0.153 0.000 0.984 397 E CA -0.159 56.233 56.400 -0.014 0.000 0.930 397 E CB -0.409 29.389 29.700 0.162 0.000 0.936 397 E HN 0.405 nan 8.360 nan 0.000 0.466 398 F N 1.447 121.379 119.950 -0.030 0.000 3.097 398 F HA -0.270 4.238 4.527 -0.033 0.000 0.278 398 F C 0.914 176.742 175.800 0.048 0.000 0.917 398 F CA 0.889 58.893 58.000 0.007 0.000 0.962 398 F CB -1.931 37.085 39.000 0.026 0.000 0.964 398 F HN 0.599 nan 8.300 nan 0.000 0.668 399 L N -2.529 118.741 121.223 0.078 0.000 3.717 399 L HA -0.275 4.046 4.340 -0.032 0.000 0.414 399 L C 0.128 177.087 176.870 0.147 0.000 1.228 399 L CA -0.008 54.869 54.840 0.060 0.000 0.918 399 L CB -1.900 40.124 42.059 -0.058 0.000 1.865 399 L HN 0.093 nan 8.230 nan 0.000 0.922 400 V N 0.668 120.671 119.914 0.147 0.000 2.455 400 V HA 0.082 4.183 4.120 -0.032 0.000 0.273 400 V C 1.556 177.689 176.094 0.064 0.000 1.045 400 V CA 0.886 63.260 62.300 0.123 0.000 0.976 400 V CB 1.665 33.569 31.823 0.134 0.000 0.993 400 V HN 0.570 nan 8.190 nan 0.000 0.475 401 S N 3.645 119.364 115.700 0.031 0.000 2.406 401 S HA 0.074 4.525 4.470 -0.032 0.000 0.224 401 S C 1.314 175.904 174.600 -0.018 0.000 1.030 401 S CA 0.425 58.630 58.200 0.008 0.000 0.958 401 S CB -0.043 63.160 63.200 0.005 0.000 0.811 401 S HN 0.797 nan 8.310 nan 0.000 0.489 402 G N 1.626 110.383 108.800 -0.071 0.000 3.086 402 G HA2 0.304 4.245 3.960 -0.032 0.000 0.159 402 G HA3 0.304 4.245 3.960 -0.032 0.000 0.159 402 G C -0.825 174.084 174.900 0.016 0.000 1.654 402 G CA -0.402 44.656 45.100 -0.070 0.000 1.078 402 G HN 0.312 nan 8.290 nan 0.000 0.558 403 D N 2.114 122.564 120.400 0.083 0.000 2.317 403 D HA 0.303 4.924 4.640 -0.032 0.000 0.234 403 D C -1.931 174.466 176.300 0.161 0.000 1.112 403 D CA -0.834 53.239 54.000 0.121 0.000 0.840 403 D CB 1.791 42.666 40.800 0.124 0.000 1.078 403 D HN 0.051 nan 8.370 nan 0.000 0.486 404 P HA 0.036 nan 4.420 nan 0.000 0.272 404 P C 0.986 178.330 177.300 0.073 0.000 1.254 404 P CA 0.181 63.344 63.100 0.106 0.000 0.795 404 P CB 0.984 32.741 31.700 0.096 0.000 1.022 405 G N 0.285 109.108 108.800 0.038 0.000 4.148 405 G HA2 -0.385 3.556 3.960 -0.032 0.000 0.221 405 G HA3 -0.385 3.556 3.960 -0.032 0.000 0.221 405 G C 0.899 175.786 174.900 -0.022 0.000 1.373 405 G CA 0.593 45.693 45.100 0.001 0.000 0.940 405 G HN 0.589 nan 8.290 nan 0.000 0.610 406 L N 1.714 122.930 121.223 -0.012 0.000 2.056 406 L HA 0.310 4.631 4.340 -0.032 0.000 0.207 406 L C 1.100 177.824 176.870 -0.243 0.000 1.078 406 L CA 2.136 56.913 54.840 -0.105 0.000 0.749 406 L CB -0.474 41.548 42.059 -0.061 0.000 0.901 406 L HN 0.595 nan 8.230 nan 0.000 0.433 407 H N -2.031 117.038 119.070 -0.001 0.000 2.495 407 H HA 0.409 4.946 4.556 -0.032 0.000 0.348 407 H C 0.862 176.182 175.328 -0.013 0.000 1.113 407 H CA 0.024 56.070 56.048 -0.003 0.000 1.195 407 H CB 1.699 31.470 29.762 0.015 0.000 1.521 407 H HN -0.134 nan 8.280 nan 0.000 0.509 408 S N 1.650 117.392 115.700 0.071 0.000 2.503 408 S HA 0.165 4.616 4.470 -0.032 0.000 0.217 408 S C 1.533 176.159 174.600 0.043 0.000 0.999 408 S CA 0.405 58.595 58.200 -0.017 0.000 0.914 408 S CB 0.162 63.308 63.200 -0.091 0.000 0.782 408 S HN 1.086 nan 8.310 nan 0.000 0.520 409 G N 1.863 110.722 108.800 0.097 0.000 2.565 409 G HA2 -0.341 3.600 3.960 -0.032 0.000 0.295 409 G HA3 -0.341 3.600 3.960 -0.032 0.000 0.295 409 G C 0.426 175.369 174.900 0.071 0.000 1.165 409 G CA 0.604 45.791 45.100 0.146 0.000 0.977 409 G HN 0.451 nan 8.290 nan 0.000 0.546 410 F N 3.190 123.171 119.950 0.052 0.000 2.765 410 F HA 0.451 4.958 4.527 -0.032 0.000 0.302 410 F C 2.705 178.487 175.800 -0.030 0.000 1.111 410 F CA 1.083 59.091 58.000 0.013 0.000 1.359 410 F CB 0.113 39.130 39.000 0.029 0.000 1.097 410 F HN 0.598 nan 8.300 nan 0.000 0.577 411 A N 0.553 123.419 122.820 0.077 0.000 1.915 411 A HA -0.261 4.040 4.320 -0.032 0.000 0.220 411 A C 2.542 179.832 177.584 -0.491 0.000 1.198 411 A CA 2.260 54.192 52.037 -0.175 0.000 0.647 411 A CB -1.459 17.268 19.000 -0.456 0.000 0.825 411 A HN 0.421 nan 8.150 nan 0.000 0.456 412 G N -1.561 107.009 108.800 -0.383 0.000 2.511 412 G HA2 0.187 4.128 3.960 -0.032 0.000 0.217 412 G HA3 0.187 4.128 3.960 -0.032 0.000 0.217 412 G C 1.556 176.230 174.900 -0.377 0.000 1.133 412 G CA 1.109 45.946 45.100 -0.438 0.000 0.792 412 G HN 0.846 nan 8.290 nan 0.000 0.539 413 A N 0.542 123.205 122.820 -0.262 0.000 2.015 413 A HA -0.039 4.262 4.320 -0.032 0.000 0.219 413 A C 2.199 179.735 177.584 -0.080 0.000 1.163 413 A CA 1.821 53.775 52.037 -0.138 0.000 0.646 413 A CB -0.350 18.597 19.000 -0.088 0.000 0.806 413 A HN 0.483 nan 8.150 nan 0.000 0.448 414 Q N -1.431 118.269 119.800 -0.167 0.000 2.167 414 Q HA -0.212 4.109 4.340 -0.032 0.000 0.202 414 Q C 1.593 177.592 176.000 -0.003 0.000 0.970 414 Q CA 1.734 57.486 55.803 -0.087 0.000 0.855 414 Q CB -0.342 28.350 28.738 -0.078 0.000 0.911 414 Q HN 0.683 nan 8.270 nan 0.000 0.438 415 Y N 1.137 121.466 120.300 0.049 0.000 2.128 415 Y HA -0.122 4.407 4.550 -0.034 0.000 0.284 415 Y C -0.489 175.423 175.900 0.019 0.000 1.154 415 Y CA 0.921 59.037 58.100 0.027 0.000 1.149 415 Y CB -2.064 36.401 38.460 0.009 0.000 0.976 415 Y HN 0.327 nan 8.280 nan 0.000 0.505 416 P HA -0.150 nan 4.420 nan 0.000 0.219 416 P C 1.223 178.569 177.300 0.077 0.000 1.146 416 P CA 2.143 65.297 63.100 0.089 0.000 0.808 416 P CB -0.041 31.688 31.700 0.048 0.000 0.779 417 A N -0.161 122.707 122.820 0.079 0.000 1.898 417 A HA -0.063 4.238 4.320 -0.032 0.000 0.214 417 A C 2.356 179.984 177.584 0.073 0.000 1.183 417 A CA 1.942 54.019 52.037 0.068 0.000 0.622 417 A CB -1.698 17.338 19.000 0.061 0.000 0.824 417 A HN 0.148 nan 8.150 nan 0.000 0.444 418 T N 0.367 114.981 114.554 0.099 0.000 2.821 418 T HA 0.016 4.347 4.350 -0.032 0.000 0.267 418 T C 2.169 176.915 174.700 0.076 0.000 1.046 418 T CA 1.401 63.558 62.100 0.095 0.000 1.139 418 T CB -0.357 68.595 68.868 0.139 0.000 0.871 418 T HN 0.551 nan 8.240 nan 0.000 0.454 419 A N 0.983 123.853 122.820 0.082 0.000 1.969 419 A HA 0.075 4.377 4.320 -0.032 0.000 0.218 419 A C 2.223 179.834 177.584 0.044 0.000 1.169 419 A CA 1.023 53.093 52.037 0.055 0.000 0.635 419 A CB -0.693 18.340 19.000 0.055 0.000 0.810 419 A HN 0.477 nan 8.150 nan 0.000 0.445 420 L N -0.748 120.504 121.223 0.048 0.000 2.156 420 L HA -0.094 4.227 4.340 -0.032 0.000 0.208 420 L C 2.386 179.280 176.870 0.039 0.000 1.095 420 L CA 0.514 55.379 54.840 0.041 0.000 0.770 420 L CB -0.290 41.795 42.059 0.043 0.000 0.914 420 L HN 0.230 nan 8.230 nan 0.000 0.439 421 V N 0.055 119.993 119.914 0.041 0.000 2.407 421 V HA -0.268 3.833 4.120 -0.032 0.000 0.248 421 V C 2.705 178.819 176.094 0.033 0.000 1.055 421 V CA 1.765 64.087 62.300 0.037 0.000 1.049 421 V CB -0.756 31.089 31.823 0.037 0.000 0.662 421 V HN 0.477 nan 8.190 nan 0.000 0.455 422 A N -0.441 122.398 122.820 0.032 0.000 1.930 422 A HA -0.239 4.062 4.320 -0.032 0.000 0.217 422 A C 2.262 179.860 177.584 0.025 0.000 1.175 422 A CA 1.852 53.905 52.037 0.026 0.000 0.627 422 A CB -0.419 18.596 19.000 0.024 0.000 0.815 422 A HN 0.606 nan 8.150 nan 0.000 0.443 423 E N -0.002 120.214 120.200 0.026 0.000 2.072 423 E HA -0.190 4.141 4.350 -0.032 0.000 0.191 423 E C 1.645 178.261 176.600 0.026 0.000 0.985 423 E CA 1.181 57.595 56.400 0.024 0.000 0.801 423 E CB -0.101 29.614 29.700 0.024 0.000 0.750 423 E HN 0.536 nan 8.360 nan 0.000 0.452 424 N N 0.586 119.303 118.700 0.030 0.000 2.223 424 N HA -0.132 4.589 4.740 -0.032 0.000 0.185 424 N C 1.477 177.007 175.510 0.033 0.000 1.016 424 N CA 0.878 53.947 53.050 0.033 0.000 0.863 424 N CB -0.165 38.343 38.487 0.035 0.000 0.983 424 N HN 0.161 nan 8.380 nan 0.000 0.429 425 R N -0.055 120.463 120.500 0.030 0.000 2.307 425 R HA 0.022 4.343 4.340 -0.032 0.000 0.199 425 R C 1.440 177.756 176.300 0.027 0.000 1.000 425 R CA 1.061 57.179 56.100 0.029 0.000 1.023 425 R CB -0.048 30.268 30.300 0.026 0.000 0.908 425 R HN 0.335 nan 8.270 nan 0.000 0.473 426 T N -2.232 112.337 114.554 0.026 0.000 3.107 426 T HA 0.231 4.562 4.350 -0.032 0.000 0.249 426 T C 0.698 175.414 174.700 0.026 0.000 1.096 426 T CA -0.062 62.052 62.100 0.023 0.000 1.012 426 T CB 0.033 68.912 68.868 0.019 0.000 0.977 426 T HN -0.030 nan 8.240 nan 0.000 0.527 427 I N 2.467 123.055 120.570 0.030 0.000 2.301 427 I HA 0.512 4.663 4.170 -0.032 0.000 0.292 427 I C 0.968 177.110 176.117 0.040 0.000 1.046 427 I CA -0.912 60.408 61.300 0.033 0.000 1.282 427 I CB 0.947 38.968 38.000 0.036 0.000 1.409 427 I HN 0.212 nan 8.210 nan 0.000 0.484 428 G N 6.521 115.345 108.800 0.040 0.000 2.462 428 G HA2 0.588 4.529 3.960 -0.032 0.000 0.319 428 G HA3 0.588 4.529 3.960 -0.032 0.000 0.319 428 G C -2.680 172.254 174.900 0.057 0.000 1.171 428 G CA -1.359 43.769 45.100 0.048 0.000 0.920 428 G HN 0.316 nan 8.290 nan 0.000 0.499 429 P HA 0.247 nan 4.420 nan 0.000 0.267 429 P C 0.327 177.670 177.300 0.073 0.000 1.200 429 P CA 0.215 63.365 63.100 0.085 0.000 0.772 429 P CB 1.375 33.141 31.700 0.111 0.000 0.855 430 A N 1.674 124.533 122.820 0.066 0.000 2.108 430 A HA 0.005 4.306 4.320 -0.032 0.000 0.206 430 A C 1.890 179.508 177.584 0.056 0.000 1.212 430 A CA 0.823 52.891 52.037 0.052 0.000 0.843 430 A CB -1.034 17.987 19.000 0.035 0.000 0.902 430 A HN 0.516 nan 8.150 nan 0.000 0.477 431 S N 0.520 116.263 115.700 0.072 0.000 2.493 431 S HA -0.136 4.315 4.470 -0.032 0.000 0.243 431 S C 1.465 176.132 174.600 0.111 0.000 0.991 431 S CA 1.821 60.059 58.200 0.062 0.000 0.957 431 S CB -0.993 62.270 63.200 0.105 0.000 0.756 431 S HN 0.757 nan 8.310 nan 0.000 0.521 432 T N -2.549 112.091 114.554 0.143 0.000 3.054 432 T HA 0.269 4.600 4.350 -0.032 0.000 0.255 432 T C 0.895 175.651 174.700 0.094 0.000 1.035 432 T CA -0.425 61.764 62.100 0.147 0.000 0.941 432 T CB 0.053 69.017 68.868 0.160 0.000 1.026 432 T HN 0.191 nan 8.240 nan 0.000 0.533 433 Q N 1.918 121.760 119.800 0.070 0.000 2.244 433 Q HA 0.302 4.623 4.340 -0.032 0.000 0.239 433 Q C 0.392 176.418 176.000 0.043 0.000 0.890 433 Q CA -0.077 55.758 55.803 0.052 0.000 0.964 433 Q CB 0.305 29.069 28.738 0.043 0.000 1.076 433 Q HN 0.515 nan 8.270 nan 0.000 0.447 434 S N 0.439 116.168 115.700 0.049 0.000 2.563 434 S HA 0.107 4.558 4.470 -0.032 0.000 0.294 434 S C -0.016 174.608 174.600 0.040 0.000 1.279 434 S CA -0.147 58.080 58.200 0.045 0.000 1.069 434 S CB 0.287 63.524 63.200 0.062 0.000 0.828 434 S HN 0.124 nan 8.310 nan 0.000 0.497 435 V N 8.764 128.698 119.914 0.033 0.000 2.443 435 V HA 0.417 4.518 4.120 -0.032 0.000 0.293 435 V C -1.946 174.166 176.094 0.030 0.000 1.021 435 V CA -1.701 60.617 62.300 0.030 0.000 0.848 435 V CB 1.608 33.444 31.823 0.022 0.000 0.998 435 V HN 0.845 nan 8.190 nan 0.000 0.424 436 P HA 0.170 nan 4.420 nan 0.000 0.264 436 P C -0.297 177.022 177.300 0.032 0.000 1.193 436 P CA 0.502 63.624 63.100 0.037 0.000 0.763 436 P CB 1.132 32.856 31.700 0.039 0.000 0.810 437 S N 1.563 117.283 115.700 0.033 0.000 2.806 437 S HA 0.427 4.878 4.470 -0.032 0.000 0.306 437 S C -0.070 174.553 174.600 0.038 0.000 1.167 437 S CA -0.713 57.505 58.200 0.029 0.000 0.847 437 S CB 0.596 63.808 63.200 0.020 0.000 1.216 437 S HN 0.418 nan 8.310 nan 0.000 0.532 438 N N 0.203 118.926 118.700 0.039 0.000 2.671 438 N HA -0.097 4.624 4.740 -0.032 0.000 0.261 438 N C 0.687 176.237 175.510 0.067 0.000 1.053 438 N CA 1.789 54.872 53.050 0.054 0.000 0.732 438 N CB -1.495 37.029 38.487 0.062 0.000 0.887 438 N HN 2.136 nan 8.380 nan 0.000 0.546 439 G N 1.183 110.020 108.800 0.061 0.000 2.283 439 G HA2 -0.304 3.638 3.960 -0.032 0.000 0.280 439 G HA3 -0.304 3.638 3.960 -0.032 0.000 0.280 439 G C 0.419 175.356 174.900 0.062 0.000 1.029 439 G CA 0.546 45.686 45.100 0.067 0.000 0.840 439 G HN 0.819 nan 8.290 nan 0.000 0.505 440 D N -2.118 118.314 120.400 0.054 0.000 3.046 440 D HA -0.216 4.405 4.640 -0.032 0.000 0.210 440 D C 1.320 177.655 176.300 0.059 0.000 1.124 440 D CA 1.571 55.602 54.000 0.051 0.000 0.986 440 D CB -1.208 39.619 40.800 0.045 0.000 1.118 440 D HN 0.671 nan 8.370 nan 0.000 0.416 441 N N 0.624 119.364 118.700 0.067 0.000 2.171 441 N HA -0.113 4.608 4.740 -0.032 0.000 0.184 441 N C 0.626 176.177 175.510 0.070 0.000 1.021 441 N CA 1.235 54.328 53.050 0.072 0.000 0.854 441 N CB 0.150 38.686 38.487 0.082 0.000 0.994 441 N HN 0.284 nan 8.380 nan 0.000 0.426 442 Q N 0.579 120.416 119.800 0.061 0.000 3.091 442 Q HA 0.058 4.379 4.340 -0.032 0.000 0.301 442 Q C -0.474 175.566 176.000 0.067 0.000 1.337 442 Q CA -0.248 55.593 55.803 0.062 0.000 1.083 442 Q CB 0.470 29.226 28.738 0.031 0.000 1.477 442 Q HN 0.519 nan 8.270 nan 0.000 0.537 443 D N -1.023 119.423 120.400 0.077 0.000 2.347 443 D HA -0.037 4.584 4.640 -0.032 0.000 0.215 443 D C 0.246 176.595 176.300 0.082 0.000 0.976 443 D CA 0.307 54.349 54.000 0.070 0.000 0.884 443 D CB 0.417 41.254 40.800 0.060 0.000 0.915 443 D HN 0.048 nan 8.370 nan 0.000 0.526 444 V N 1.114 121.100 119.914 0.119 0.000 2.577 444 V HA 0.396 4.497 4.120 -0.032 0.000 0.294 444 V C -0.098 176.151 176.094 0.258 0.000 1.052 444 V CA -0.987 61.406 62.300 0.155 0.000 0.891 444 V CB 1.862 33.768 31.823 0.139 0.000 1.017 444 V HN 0.159 nan 8.190 nan 0.000 0.436 445 V N 1.970 121.969 119.914 0.141 0.000 3.181 445 V HA 0.828 4.930 4.120 -0.032 0.000 0.314 445 V C 0.840 176.939 176.094 0.010 0.000 1.173 445 V CA 0.261 62.546 62.300 -0.025 0.000 1.052 445 V CB 1.952 33.736 31.823 -0.065 0.000 1.123 445 V HN 0.816 nan 8.190 nan 0.000 0.454 446 S N -0.990 114.636 115.700 -0.123 0.000 2.524 446 S HA 0.153 4.604 4.470 -0.032 0.000 0.222 446 S C 1.063 175.630 174.600 -0.055 0.000 1.040 446 S CA 0.620 58.786 58.200 -0.058 0.000 0.915 446 S CB -0.131 63.024 63.200 -0.074 0.000 0.831 446 S HN 1.098 nan 8.310 nan 0.000 0.492 447 M N 0.866 120.436 119.600 -0.050 0.000 2.682 447 M HA -0.160 4.302 4.480 -0.032 0.000 0.196 447 M C 1.115 177.405 176.300 -0.017 0.000 0.542 447 M CA 0.836 56.123 55.300 -0.021 0.000 0.593 447 M CB -2.653 29.946 32.600 -0.002 0.000 2.183 447 M HN 0.577 nan 8.290 nan 0.000 0.663 448 G N 0.169 108.949 108.800 -0.034 0.000 2.450 448 G HA2 -0.090 3.851 3.960 -0.032 0.000 0.220 448 G HA3 -0.090 3.851 3.960 -0.032 0.000 0.220 448 G C 1.287 176.188 174.900 0.002 0.000 1.130 448 G CA 1.040 46.123 45.100 -0.028 0.000 0.760 448 G HN 0.470 nan 8.290 nan 0.000 0.557 449 L N 0.632 121.866 121.223 0.018 0.000 2.217 449 L HA 0.228 4.549 4.340 -0.032 0.000 0.211 449 L C 2.543 179.451 176.870 0.065 0.000 1.107 449 L CA 0.959 55.832 54.840 0.055 0.000 0.783 449 L CB -0.291 41.818 42.059 0.083 0.000 0.919 449 L HN 0.264 nan 8.230 nan 0.000 0.442 450 I N -1.498 119.095 120.570 0.039 0.000 2.286 450 I HA -0.235 3.916 4.170 -0.032 0.000 0.245 450 I C 2.280 178.418 176.117 0.036 0.000 1.104 450 I CA 1.039 62.360 61.300 0.035 0.000 1.397 450 I CB -0.397 37.616 38.000 0.022 0.000 1.072 450 I HN 0.158 nan 8.210 nan 0.000 0.417 451 S N 1.123 116.840 115.700 0.027 0.000 2.356 451 S HA -0.178 4.273 4.470 -0.032 0.000 0.223 451 S C 2.291 176.912 174.600 0.035 0.000 1.032 451 S CA 1.416 59.631 58.200 0.026 0.000 1.005 451 S CB -0.407 62.796 63.200 0.005 0.000 0.867 451 S HN 0.543 nan 8.310 nan 0.000 0.449 452 A N 1.818 124.661 122.820 0.039 0.000 1.933 452 A HA -0.084 4.217 4.320 -0.032 0.000 0.218 452 A C 2.158 179.786 177.584 0.073 0.000 1.175 452 A CA 1.185 53.253 52.037 0.052 0.000 0.628 452 A CB -0.421 18.609 19.000 0.050 0.000 0.814 452 A HN 0.397 nan 8.150 nan 0.000 0.444 453 R N -0.573 119.977 120.500 0.084 0.000 2.115 453 R HA -0.065 4.256 4.340 -0.032 0.000 0.226 453 R C 1.667 178.000 176.300 0.056 0.000 1.100 453 R CA 1.125 57.276 56.100 0.084 0.000 0.980 453 R CB -0.273 30.069 30.300 0.070 0.000 0.875 453 R HN 0.479 nan 8.270 nan 0.000 0.445 454 N N 1.012 119.741 118.700 0.048 0.000 2.120 454 N HA -0.121 4.600 4.740 -0.032 0.000 0.188 454 N C 1.634 177.174 175.510 0.049 0.000 1.024 454 N CA 1.539 54.615 53.050 0.043 0.000 0.852 454 N CB -0.317 38.196 38.487 0.043 0.000 1.003 454 N HN 0.189 nan 8.380 nan 0.000 0.424 455 A N 1.163 124.016 122.820 0.055 0.000 1.877 455 A HA -0.141 4.160 4.320 -0.032 0.000 0.216 455 A C 2.225 179.844 177.584 0.058 0.000 1.186 455 A CA 1.427 53.499 52.037 0.058 0.000 0.620 455 A CB -0.577 18.459 19.000 0.060 0.000 0.822 455 A HN 0.269 nan 8.150 nan 0.000 0.443 456 R N -0.378 120.159 120.500 0.062 0.000 2.117 456 R HA -0.195 4.126 4.340 -0.032 0.000 0.243 456 R C 2.409 178.741 176.300 0.054 0.000 1.143 456 R CA 1.849 57.987 56.100 0.064 0.000 0.968 456 R CB -0.296 30.052 30.300 0.080 0.000 0.863 456 R HN 0.576 nan 8.270 nan 0.000 0.444 457 R N -0.061 120.467 120.500 0.048 0.000 2.081 457 R HA -0.088 4.234 4.340 -0.032 0.000 0.235 457 R C 2.024 178.348 176.300 0.040 0.000 1.131 457 R CA 1.645 57.768 56.100 0.039 0.000 0.960 457 R CB -0.094 30.226 30.300 0.032 0.000 0.856 457 R HN 0.144 nan 8.270 nan 0.000 0.436 458 V N 1.288 121.228 119.914 0.044 0.000 2.453 458 V HA -0.196 3.905 4.120 -0.032 0.000 0.247 458 V C 2.215 178.337 176.094 0.047 0.000 1.048 458 V CA 1.290 63.617 62.300 0.045 0.000 1.049 458 V CB -0.413 31.439 31.823 0.048 0.000 0.672 458 V HN 0.332 nan 8.190 nan 0.000 0.457 459 L N 0.207 121.460 121.223 0.050 0.000 1.989 459 L HA -0.163 4.158 4.340 -0.032 0.000 0.211 459 L C 2.664 179.564 176.870 0.050 0.000 1.071 459 L CA 2.524 57.396 54.840 0.052 0.000 0.749 459 L CB -0.822 41.270 42.059 0.055 0.000 0.890 459 L HN 0.314 nan 8.230 nan 0.000 0.431 460 S N -0.416 115.312 115.700 0.048 0.000 2.359 460 S HA -0.217 4.234 4.470 -0.032 0.000 0.224 460 S C 1.886 176.512 174.600 0.043 0.000 1.035 460 S CA 1.737 59.964 58.200 0.044 0.000 1.018 460 S CB -0.481 62.743 63.200 0.040 0.000 0.876 460 S HN 0.651 nan 8.310 nan 0.000 0.448 461 N N 2.073 120.797 118.700 0.041 0.000 2.166 461 N HA -0.016 4.705 4.740 -0.032 0.000 0.186 461 N C 1.429 176.966 175.510 0.045 0.000 1.019 461 N CA 0.990 54.064 53.050 0.040 0.000 0.856 461 N CB -0.895 37.615 38.487 0.038 0.000 0.993 461 N HN 0.436 nan 8.380 nan 0.000 0.426 462 N N 1.390 120.118 118.700 0.048 0.000 2.223 462 N HA -0.055 4.666 4.740 -0.032 0.000 0.185 462 N C 1.168 176.713 175.510 0.059 0.000 1.016 462 N CA 0.519 53.599 53.050 0.051 0.000 0.863 462 N CB -0.404 38.114 38.487 0.051 0.000 0.983 462 N HN 0.287 nan 8.380 nan 0.000 0.429 463 N N 1.109 119.845 118.700 0.059 0.000 2.205 463 N HA -0.105 4.616 4.740 -0.032 0.000 0.186 463 N C 1.402 176.950 175.510 0.063 0.000 1.015 463 N CA 0.832 53.920 53.050 0.064 0.000 0.862 463 N CB 0.013 38.534 38.487 0.057 0.000 0.986 463 N HN 0.309 nan 8.380 nan 0.000 0.429 464 K N 0.993 121.426 120.400 0.055 0.000 2.062 464 K HA 0.058 4.359 4.320 -0.032 0.000 0.205 464 K C 2.203 178.839 176.600 0.060 0.000 1.051 464 K CA 0.435 56.754 56.287 0.053 0.000 0.941 464 K CB -0.324 32.203 32.500 0.044 0.000 0.719 464 K HN 0.266 nan 8.250 nan 0.000 0.440 465 I N 1.269 121.874 120.570 0.058 0.000 2.179 465 I HA -0.256 3.895 4.170 -0.032 0.000 0.242 465 I C 2.363 178.519 176.117 0.066 0.000 1.088 465 I CA 1.103 62.437 61.300 0.057 0.000 1.357 465 I CB -0.357 37.672 38.000 0.048 0.000 1.051 465 I HN 0.022 nan 8.210 nan 0.000 0.409 466 L N 0.578 121.851 121.223 0.082 0.000 2.141 466 L HA -0.173 4.148 4.340 -0.032 0.000 0.209 466 L C 2.878 179.862 176.870 0.192 0.000 1.094 466 L CA 1.099 56.016 54.840 0.127 0.000 0.763 466 L CB -0.695 41.463 42.059 0.165 0.000 0.908 466 L HN 0.237 nan 8.230 nan 0.000 0.437 467 A N -0.134 122.762 122.820 0.128 0.000 1.883 467 A HA -0.168 4.133 4.320 -0.032 0.000 0.217 467 A C 2.305 179.973 177.584 0.140 0.000 1.186 467 A CA 1.921 54.026 52.037 0.114 0.000 0.624 467 A CB -0.854 18.193 19.000 0.079 0.000 0.822 467 A HN 0.197 nan 8.150 nan 0.000 0.444 468 V N 0.050 120.035 119.914 0.119 0.000 2.490 468 V HA -0.243 3.858 4.120 -0.032 0.000 0.250 468 V C 2.465 178.627 176.094 0.113 0.000 1.061 468 V CA 2.248 64.633 62.300 0.143 0.000 1.064 468 V CB -0.682 31.208 31.823 0.112 0.000 0.670 468 V HN 0.804 nan 8.190 nan 0.000 0.461 469 E N -0.719 119.516 120.200 0.060 0.000 2.107 469 E HA -0.206 4.126 4.350 -0.032 0.000 0.191 469 E C 2.140 178.688 176.600 -0.086 0.000 0.982 469 E CA 1.169 57.545 56.400 -0.040 0.000 0.809 469 E CB -0.204 29.442 29.700 -0.089 0.000 0.756 469 E HN 0.677 nan 8.360 nan 0.000 0.459 470 Y N 0.636 120.864 120.300 -0.120 0.000 2.242 470 Y HA -0.147 4.384 4.550 -0.032 0.000 0.291 470 Y C 2.130 177.984 175.900 -0.078 0.000 1.137 470 Y CA 1.176 59.171 58.100 -0.175 0.000 1.181 470 Y CB -0.007 38.236 38.460 -0.362 0.000 0.989 470 Y HN 0.076 nan 8.280 nan 0.000 0.527 471 L N -1.196 120.125 121.223 0.164 0.000 2.056 471 L HA -0.226 4.096 4.340 -0.032 0.000 0.207 471 L C 2.667 179.532 176.870 -0.008 0.000 1.078 471 L CA 1.086 56.047 54.840 0.202 0.000 0.749 471 L CB -0.810 41.485 42.059 0.393 0.000 0.901 471 L HN 0.206 nan 8.230 nan 0.000 0.433 472 A N 0.026 122.718 122.820 -0.213 0.000 1.877 472 A HA -0.178 4.123 4.320 -0.032 0.000 0.216 472 A C 2.536 179.922 177.584 -0.329 0.000 1.186 472 A CA 1.772 53.447 52.037 -0.603 0.000 0.620 472 A CB -0.801 17.940 19.000 -0.431 0.000 0.822 472 A HN 0.392 nan 8.150 nan 0.000 0.443 473 A N 0.006 122.717 122.820 -0.182 0.000 1.851 473 A HA 0.086 4.387 4.320 -0.032 0.000 0.216 473 A C 2.567 180.149 177.584 -0.003 0.000 1.195 473 A CA 2.552 54.523 52.037 -0.109 0.000 0.622 473 A CB -1.283 17.636 19.000 -0.134 0.000 0.831 473 A HN 1.197 nan 8.150 nan 0.000 0.444 474 A N -0.996 121.860 122.820 0.061 0.000 1.917 474 A HA -0.269 4.032 4.320 -0.032 0.000 0.219 474 A C 2.167 179.873 177.584 0.203 0.000 1.182 474 A CA 2.394 54.557 52.037 0.210 0.000 0.633 474 A CB -0.583 18.458 19.000 0.068 0.000 0.819 474 A HN 0.616 nan 8.150 nan 0.000 0.448 475 Q N -0.250 119.572 119.800 0.038 0.000 2.119 475 Q HA 0.029 4.350 4.340 -0.032 0.000 0.201 475 Q C 1.946 177.942 176.000 -0.007 0.000 0.972 475 Q CA 1.998 57.809 55.803 0.013 0.000 0.847 475 Q CB -0.581 28.057 28.738 -0.167 0.000 0.903 475 Q HN 0.553 nan 8.270 nan 0.000 0.433 476 A N -0.605 122.176 122.820 -0.064 0.000 2.015 476 A HA -0.070 4.231 4.320 -0.032 0.000 0.219 476 A C 2.171 179.760 177.584 0.009 0.000 1.163 476 A CA 1.381 53.387 52.037 -0.051 0.000 0.646 476 A CB -0.544 18.406 19.000 -0.084 0.000 0.806 476 A HN 0.273 nan 8.150 nan 0.000 0.448 477 V N 1.453 121.406 119.914 0.065 0.000 2.244 477 V HA -0.235 3.866 4.120 -0.032 0.000 0.244 477 V C 2.240 178.368 176.094 0.057 0.000 1.042 477 V CA 2.295 64.630 62.300 0.058 0.000 1.006 477 V CB -0.953 30.916 31.823 0.077 0.000 0.641 477 V HN 0.753 nan 8.190 nan 0.000 0.446 478 D N 0.191 120.664 120.400 0.121 0.000 2.178 478 D HA -0.140 4.481 4.640 -0.032 0.000 0.202 478 D C 1.910 178.244 176.300 0.056 0.000 0.974 478 D CA 1.053 55.108 54.000 0.091 0.000 0.841 478 D CB -0.494 40.393 40.800 0.144 0.000 0.953 478 D HN 0.416 nan 8.370 nan 0.000 0.478 479 I N 0.902 121.502 120.570 0.050 0.000 2.361 479 I HA -0.209 3.942 4.170 -0.032 0.000 0.251 479 I C 1.657 177.786 176.117 0.020 0.000 1.133 479 I CA 1.455 62.774 61.300 0.031 0.000 1.413 479 I CB -0.188 37.823 38.000 0.019 0.000 1.073 479 I HN 0.100 nan 8.210 nan 0.000 0.424 480 S N -0.187 115.524 115.700 0.017 0.000 2.540 480 S HA 0.226 4.677 4.470 -0.032 0.000 0.218 480 S C 1.476 176.084 174.600 0.014 0.000 0.977 480 S CA 0.231 58.438 58.200 0.012 0.000 0.918 480 S CB 0.435 63.639 63.200 0.006 0.000 0.806 480 S HN 0.522 nan 8.310 nan 0.000 0.496 481 G N 2.168 110.980 108.800 0.020 0.000 2.356 481 G HA2 -0.305 3.636 3.960 -0.032 0.000 0.296 481 G HA3 -0.305 3.636 3.960 -0.032 0.000 0.296 481 G C 0.482 175.396 174.900 0.023 0.000 1.022 481 G CA 0.420 45.534 45.100 0.023 0.000 0.961 481 G HN 0.593 nan 8.290 nan 0.000 0.510 482 R N -1.253 119.254 120.500 0.012 0.000 2.466 482 R HA 0.287 4.608 4.340 -0.032 0.000 0.279 482 R C 1.782 178.056 176.300 -0.044 0.000 0.976 482 R CA -0.242 55.850 56.100 -0.014 0.000 1.081 482 R CB -0.040 30.243 30.300 -0.028 0.000 1.215 482 R HN 0.426 nan 8.270 nan 0.000 0.546 483 F N 1.917 121.764 119.950 -0.172 0.000 2.126 483 F HA -0.230 4.277 4.527 -0.032 0.000 0.299 483 F C 1.517 177.224 175.800 -0.155 0.000 1.096 483 F CA 1.719 59.568 58.000 -0.252 0.000 1.255 483 F CB 0.218 39.015 39.000 -0.338 0.000 0.997 483 F HN -0.002 nan 8.300 nan 0.000 0.479 484 D N -0.198 120.192 120.400 -0.018 0.000 2.310 484 D HA -0.062 4.559 4.640 -0.032 0.000 0.212 484 D C 2.244 178.453 176.300 -0.151 0.000 0.965 484 D CA 1.232 55.190 54.000 -0.071 0.000 0.879 484 D CB -0.545 40.280 40.800 0.042 0.000 0.921 484 D HN 0.460 nan 8.370 nan 0.000 0.510 485 G N -0.183 108.528 108.800 -0.149 0.000 2.939 485 G HA2 0.117 4.058 3.960 -0.032 0.000 0.210 485 G HA3 0.117 4.058 3.960 -0.032 0.000 0.210 485 G C 0.772 175.573 174.900 -0.165 0.000 1.160 485 G CA -0.266 44.759 45.100 -0.125 0.000 0.770 485 G HN 0.157 nan 8.290 nan 0.000 0.543 486 L N 2.193 123.256 121.223 -0.267 0.000 2.461 486 L HA 0.224 4.545 4.340 -0.032 0.000 0.272 486 L C 1.375 178.119 176.870 -0.210 0.000 1.197 486 L CA -0.555 54.131 54.840 -0.256 0.000 0.836 486 L CB 0.854 42.689 42.059 -0.375 0.000 1.105 486 L HN 0.220 nan 8.230 nan 0.000 0.477 487 S N 1.966 117.581 115.700 -0.142 0.000 2.606 487 S HA 0.167 4.618 4.470 -0.032 0.000 0.257 487 S C -1.873 172.665 174.600 -0.104 0.000 1.327 487 S CA -0.986 57.153 58.200 -0.103 0.000 0.984 487 S CB 0.445 63.600 63.200 -0.075 0.000 0.941 487 S HN 0.430 nan 8.310 nan 0.000 0.576 488 P HA 0.001 nan 4.420 nan 0.000 0.216 488 P C 1.601 178.889 177.300 -0.019 0.000 1.153 488 P CA 1.898 64.973 63.100 -0.043 0.000 0.848 488 P CB -0.290 31.397 31.700 -0.022 0.000 0.787 489 A N -0.057 122.754 122.820 -0.014 0.000 1.898 489 A HA -0.070 4.231 4.320 -0.032 0.000 0.216 489 A C 2.303 179.904 177.584 0.029 0.000 1.181 489 A CA 1.943 53.988 52.037 0.014 0.000 0.620 489 A CB -1.605 17.397 19.000 0.004 0.000 0.819 489 A HN 0.176 nan 8.150 nan 0.000 0.442 490 A N -0.115 122.698 122.820 -0.012 0.000 1.972 490 A HA -0.144 4.157 4.320 -0.032 0.000 0.219 490 A C 2.093 179.694 177.584 0.029 0.000 1.169 490 A CA 1.719 53.754 52.037 -0.004 0.000 0.635 490 A CB -0.377 18.584 19.000 -0.066 0.000 0.810 490 A HN 0.546 nan 8.150 nan 0.000 0.446 491 K N -0.320 120.051 120.400 -0.050 0.000 2.097 491 K HA -0.007 4.294 4.320 -0.032 0.000 0.205 491 K C 2.336 179.065 176.600 0.215 0.000 1.050 491 K CA 0.984 57.255 56.287 -0.027 0.000 0.938 491 K CB -0.298 32.098 32.500 -0.173 0.000 0.718 491 K HN 0.433 nan 8.250 nan 0.000 0.442 492 A N 1.273 124.181 122.820 0.148 0.000 1.877 492 A HA -0.158 4.143 4.320 -0.032 0.000 0.216 492 A C 2.267 179.988 177.584 0.228 0.000 1.186 492 A CA 2.084 54.222 52.037 0.168 0.000 0.620 492 A CB -1.048 18.020 19.000 0.113 0.000 0.822 492 A HN 0.246 nan 8.150 nan 0.000 0.443 493 T N -1.334 113.369 114.554 0.249 0.000 2.652 493 T HA -0.220 4.111 4.350 -0.032 0.000 0.267 493 T C 1.798 176.727 174.700 0.382 0.000 1.039 493 T CA 1.773 64.082 62.100 0.349 0.000 1.153 493 T CB -0.565 68.470 68.868 0.280 0.000 0.863 493 T HN 0.567 nan 8.240 nan 0.000 0.428 494 Y N 2.131 122.568 120.300 0.228 0.000 2.081 494 Y HA -0.217 4.315 4.550 -0.031 0.000 0.280 494 Y C 2.377 178.425 175.900 0.247 0.000 1.163 494 Y CA 1.798 60.044 58.100 0.242 0.000 1.135 494 Y CB -0.344 38.283 38.460 0.279 0.000 0.970 494 Y HN 0.295 nan 8.280 nan 0.000 0.498 495 E N -0.005 120.404 120.200 0.347 0.000 2.153 495 E HA -0.199 4.132 4.350 -0.032 0.000 0.194 495 E C 2.304 178.940 176.600 0.059 0.000 0.988 495 E CA 0.774 57.280 56.400 0.176 0.000 0.811 495 E CB -0.302 29.557 29.700 0.265 0.000 0.746 495 E HN 0.624 nan 8.360 nan 0.000 0.466 496 A N 0.916 123.806 122.820 0.117 0.000 1.898 496 A HA -0.114 4.187 4.320 -0.032 0.000 0.216 496 A C 2.484 180.115 177.584 0.078 0.000 1.181 496 A CA 0.977 53.041 52.037 0.045 0.000 0.620 496 A CB -0.484 18.547 19.000 0.052 0.000 0.819 496 A HN 0.101 nan 8.150 nan 0.000 0.442 497 V N 0.135 120.188 119.914 0.232 0.000 2.270 497 V HA -0.188 3.913 4.120 -0.032 0.000 0.245 497 V C 2.583 178.677 176.094 0.000 0.000 1.043 497 V CA 1.818 64.244 62.300 0.210 0.000 1.014 497 V CB -0.756 31.171 31.823 0.173 0.000 0.645 497 V HN 0.434 nan 8.190 nan 0.000 0.447 498 R N -0.088 120.305 120.500 -0.177 0.000 2.241 498 R HA -0.107 4.214 4.340 -0.032 0.000 0.224 498 R C 2.273 178.519 176.300 -0.089 0.000 1.101 498 R CA 0.953 56.931 56.100 -0.203 0.000 0.995 498 R CB -0.663 29.391 30.300 -0.410 0.000 0.870 498 R HN 0.478 nan 8.270 nan 0.000 0.463 499 R N 0.393 120.858 120.500 -0.060 0.000 2.193 499 R HA 0.024 4.345 4.340 -0.032 0.000 0.213 499 R C 1.834 178.113 176.300 -0.034 0.000 1.055 499 R CA 0.687 56.763 56.100 -0.041 0.000 0.995 499 R CB 0.138 30.411 30.300 -0.044 0.000 0.893 499 R HN 0.148 nan 8.270 nan 0.000 0.459 500 L N -0.475 120.734 121.223 -0.024 0.000 2.269 500 L HA 0.197 4.518 4.340 -0.032 0.000 0.200 500 L C 0.133 177.009 176.870 0.009 0.000 1.069 500 L CA 0.186 55.021 54.840 -0.008 0.000 0.804 500 L CB 0.593 42.656 42.059 0.006 0.000 0.987 500 L HN -0.127 nan 8.230 nan 0.000 0.468 501 V N -0.046 119.878 119.914 0.018 0.000 2.588 501 V HA 0.387 4.488 4.120 -0.032 0.000 0.304 501 V C -2.425 173.678 176.094 0.014 0.000 1.042 501 V CA -1.614 60.703 62.300 0.028 0.000 0.877 501 V CB 1.791 33.648 31.823 0.057 0.000 0.996 501 V HN -0.061 nan 8.190 nan 0.000 0.425 502 P HA 0.202 nan 4.420 nan 0.000 0.274 502 P C 0.091 177.416 177.300 0.043 0.000 1.237 502 P CA -0.096 63.014 63.100 0.017 0.000 0.793 502 P CB 0.443 32.154 31.700 0.018 0.000 0.977 503 T N 0.995 115.578 114.554 0.049 0.000 2.906 503 T HA 0.021 4.352 4.350 -0.032 0.000 0.320 503 T C -0.017 174.738 174.700 0.092 0.000 1.088 503 T CA -0.142 62.011 62.100 0.088 0.000 1.120 503 T CB -0.260 68.661 68.868 0.089 0.000 1.000 503 T HN 0.212 nan 8.240 nan 0.000 0.550 504 L N 5.703 127.009 121.223 0.139 0.000 2.282 504 L HA 0.546 4.867 4.340 -0.032 0.000 0.287 504 L C 0.867 177.776 176.870 0.064 0.000 1.075 504 L CA 0.316 55.224 54.840 0.113 0.000 0.839 504 L CB 0.049 42.230 42.059 0.202 0.000 1.219 504 L HN 0.859 nan 8.230 nan 0.000 0.434 505 G N 4.020 112.833 108.800 0.021 0.000 2.535 505 G HA2 0.179 4.120 3.960 -0.032 0.000 0.210 505 G HA3 0.179 4.120 3.960 -0.032 0.000 0.210 505 G C 0.292 175.139 174.900 -0.088 0.000 1.593 505 G CA 0.448 45.534 45.100 -0.024 0.000 0.948 505 G HN 0.619 nan 8.290 nan 0.000 0.476 506 V N -0.790 119.076 119.914 -0.080 0.000 2.953 506 V HA 0.387 4.488 4.120 -0.032 0.000 0.304 506 V C -0.325 175.800 176.094 0.051 0.000 1.073 506 V CA -1.270 60.971 62.300 -0.099 0.000 1.064 506 V CB 1.100 32.955 31.823 0.054 0.000 1.047 506 V HN 0.271 nan 8.190 nan 0.000 0.478 507 D N 2.448 122.993 120.400 0.241 0.000 2.449 507 D HA 0.371 4.992 4.640 -0.032 0.000 0.236 507 D C 0.385 176.731 176.300 0.077 0.000 1.149 507 D CA 0.642 54.728 54.000 0.143 0.000 0.878 507 D CB 0.393 41.294 40.800 0.167 0.000 1.198 507 D HN 0.881 nan 8.370 nan 0.000 0.446 508 R N 0.430 120.943 120.500 0.023 0.000 2.733 508 R HA 0.269 4.590 4.340 -0.032 0.000 0.272 508 R C -1.048 175.282 176.300 0.050 0.000 1.029 508 R CA -1.042 55.087 56.100 0.047 0.000 0.888 508 R CB 0.309 30.636 30.300 0.046 0.000 1.251 508 R HN 0.274 nan 8.270 nan 0.000 0.464 509 Y N 2.366 122.642 120.300 -0.039 0.000 2.802 509 Y HA -0.044 4.486 4.550 -0.033 0.000 0.333 509 Y C 0.866 176.729 175.900 -0.061 0.000 1.244 509 Y CA 0.669 58.743 58.100 -0.042 0.000 1.558 509 Y CB 0.666 39.110 38.460 -0.027 0.000 1.233 509 Y HN 0.573 nan 8.280 nan 0.000 0.547 510 M N 4.646 124.057 119.600 -0.316 0.000 2.534 510 M HA 0.080 4.542 4.480 -0.032 0.000 0.263 510 M C 2.195 178.344 176.300 -0.252 0.000 1.152 510 M CA 0.962 56.110 55.300 -0.254 0.000 1.145 510 M CB -1.192 31.233 32.600 -0.291 0.000 1.333 510 M HN 0.816 nan 8.290 nan 0.000 0.477 511 A N 1.641 124.172 122.820 -0.482 0.000 1.915 511 A HA -0.238 4.063 4.320 -0.032 0.000 0.220 511 A C 1.855 179.410 177.584 -0.048 0.000 1.198 511 A CA 2.398 54.262 52.037 -0.288 0.000 0.647 511 A CB -0.835 17.918 19.000 -0.412 0.000 0.825 511 A HN 0.438 nan 8.150 nan 0.000 0.456 512 D N -0.263 120.195 120.400 0.097 0.000 2.144 512 D HA -0.101 4.521 4.640 -0.032 0.000 0.200 512 D C 1.337 177.677 176.300 0.065 0.000 0.978 512 D CA 1.337 55.413 54.000 0.128 0.000 0.833 512 D CB -0.484 40.429 40.800 0.188 0.000 0.961 512 D HN 0.405 nan 8.370 nan 0.000 0.470 513 D N 0.521 120.948 120.400 0.045 0.000 2.144 513 D HA -0.080 4.541 4.640 -0.032 0.000 0.199 513 D C 2.259 178.581 176.300 0.036 0.000 0.984 513 D CA 0.438 54.458 54.000 0.033 0.000 0.834 513 D CB -0.145 40.661 40.800 0.010 0.000 0.955 513 D HN 0.309 nan 8.370 nan 0.000 0.465 514 I N 0.897 121.475 120.570 0.014 0.000 2.286 514 I HA -0.144 4.007 4.170 -0.032 0.000 0.245 514 I C 2.107 178.247 176.117 0.038 0.000 1.104 514 I CA 0.777 62.094 61.300 0.028 0.000 1.397 514 I CB -0.096 37.905 38.000 0.002 0.000 1.072 514 I HN -0.135 nan 8.210 nan 0.000 0.417 515 E N 0.623 120.842 120.200 0.031 0.000 2.268 515 E HA -0.162 4.169 4.350 -0.032 0.000 0.195 515 E C 2.085 178.709 176.600 0.039 0.000 0.995 515 E CA 0.870 57.291 56.400 0.035 0.000 0.836 515 E CB -0.087 29.634 29.700 0.035 0.000 0.763 515 E HN 0.338 nan 8.360 nan 0.000 0.491 516 L N 0.281 121.529 121.223 0.042 0.000 2.023 516 L HA -0.114 4.207 4.340 -0.032 0.000 0.205 516 L C 2.298 179.197 176.870 0.049 0.000 1.073 516 L CA 1.107 55.969 54.840 0.037 0.000 0.745 516 L CB -0.361 41.720 42.059 0.037 0.000 0.900 516 L HN -0.113 nan 8.230 nan 0.000 0.435 517 V N -0.246 119.713 119.914 0.075 0.000 2.515 517 V HA -0.225 3.876 4.120 -0.032 0.000 0.250 517 V C 2.686 178.842 176.094 0.103 0.000 1.058 517 V CA 1.339 63.712 62.300 0.121 0.000 1.064 517 V CB -1.193 30.704 31.823 0.124 0.000 0.675 517 V HN 0.546 nan 8.190 nan 0.000 0.461 518 A N -0.336 122.525 122.820 0.068 0.000 1.902 518 A HA -0.255 4.046 4.320 -0.032 0.000 0.217 518 A C 2.106 179.722 177.584 0.053 0.000 1.181 518 A CA 1.965 54.037 52.037 0.058 0.000 0.623 518 A CB -0.539 18.490 19.000 0.049 0.000 0.818 518 A HN 0.529 nan 8.150 nan 0.000 0.443 519 D N -0.105 120.320 120.400 0.041 0.000 2.117 519 D HA -0.062 4.559 4.640 -0.032 0.000 0.198 519 D C 2.294 178.603 176.300 0.015 0.000 0.982 519 D CA 1.396 55.411 54.000 0.025 0.000 0.828 519 D CB -0.227 40.581 40.800 0.015 0.000 0.967 519 D HN 0.406 nan 8.370 nan 0.000 0.464 520 A N 0.913 123.739 122.820 0.010 0.000 1.940 520 A HA -0.153 4.148 4.320 -0.032 0.000 0.219 520 A C 2.389 179.976 177.584 0.005 0.000 1.176 520 A CA 0.984 52.987 52.037 -0.056 0.000 0.631 520 A CB -0.718 18.199 19.000 -0.139 0.000 0.814 520 A HN 0.201 nan 8.150 nan 0.000 0.446 521 L N 0.170 121.462 121.223 0.116 0.000 2.109 521 L HA -0.132 4.189 4.340 -0.032 0.000 0.207 521 L C 2.910 179.826 176.870 0.078 0.000 1.086 521 L CA 1.407 56.328 54.840 0.133 0.000 0.760 521 L CB -0.366 41.742 42.059 0.082 0.000 0.910 521 L HN 0.591 nan 8.230 nan 0.000 0.437 522 S N 0.663 116.396 115.700 0.054 0.000 2.474 522 S HA -0.166 4.285 4.470 -0.032 0.000 0.235 522 S C 1.612 176.232 174.600 0.033 0.000 0.997 522 S CA 0.538 58.765 58.200 0.044 0.000 0.949 522 S CB -0.330 62.892 63.200 0.038 0.000 0.766 522 S HN 0.601 nan 8.310 nan 0.000 0.517 523 R N 0.064 120.575 120.500 0.018 0.000 2.586 523 R HA 0.518 4.840 4.340 -0.032 0.000 0.336 523 R C 1.125 177.424 176.300 -0.002 0.000 1.060 523 R CA 0.042 56.144 56.100 0.004 0.000 1.079 523 R CB -0.667 29.625 30.300 -0.013 0.000 1.317 523 R HN 0.295 nan 8.270 nan 0.000 0.568 524 G N 1.478 110.291 108.800 0.021 0.000 2.233 524 G HA2 -0.308 3.633 3.960 -0.032 0.000 0.270 524 G HA3 -0.308 3.633 3.960 -0.032 0.000 0.270 524 G C 0.705 175.597 174.900 -0.014 0.000 1.011 524 G CA 0.666 45.784 45.100 0.030 0.000 0.762 524 G HN 0.406 nan 8.290 nan 0.000 0.511 525 E N -0.398 119.743 120.200 -0.097 0.000 2.070 525 E HA -0.127 4.204 4.350 -0.032 0.000 0.197 525 E C 2.125 178.540 176.600 -0.309 0.000 1.004 525 E CA 1.407 57.650 56.400 -0.261 0.000 0.805 525 E CB -0.353 29.068 29.700 -0.466 0.000 0.744 525 E HN 0.639 nan 8.360 nan 0.000 0.451 526 F N 0.297 120.203 119.950 -0.073 0.000 2.293 526 F HA -0.096 4.411 4.527 -0.034 0.000 0.300 526 F C 2.244 178.060 175.800 0.027 0.000 1.086 526 F CA 0.414 58.393 58.000 -0.035 0.000 1.375 526 F CB -0.363 38.575 39.000 -0.103 0.000 1.045 526 F HN 0.045 nan 8.300 nan 0.000 0.516 527 L N 0.203 121.525 121.223 0.165 0.000 2.240 527 L HA -0.007 4.314 4.340 -0.032 0.000 0.211 527 L C 2.134 179.042 176.870 0.063 0.000 1.106 527 L CA 1.497 56.407 54.840 0.117 0.000 0.793 527 L CB -0.516 41.602 42.059 0.098 0.000 0.927 527 L HN -0.043 nan 8.230 nan 0.000 0.446 528 R N -0.711 119.803 120.500 0.023 0.000 2.100 528 R HA 0.106 4.427 4.340 -0.032 0.000 0.220 528 R C 2.284 178.584 176.300 -0.000 0.000 1.091 528 R CA 0.931 57.030 56.100 -0.002 0.000 0.986 528 R CB -0.497 29.782 30.300 -0.035 0.000 0.888 528 R HN 0.447 nan 8.270 nan 0.000 0.444 529 A N 1.528 124.343 122.820 -0.008 0.000 1.908 529 A HA -0.166 4.135 4.320 -0.032 0.000 0.218 529 A C 2.118 179.730 177.584 0.047 0.000 1.181 529 A CA 1.315 53.358 52.037 0.010 0.000 0.627 529 A CB -0.517 18.495 19.000 0.021 0.000 0.818 529 A HN 0.182 nan 8.150 nan 0.000 0.445 530 I N -0.525 120.086 120.570 0.069 0.000 2.315 530 I HA -0.239 3.912 4.170 -0.032 0.000 0.248 530 I C 2.886 179.028 176.117 0.041 0.000 1.117 530 I CA 0.917 62.256 61.300 0.064 0.000 1.404 530 I CB -0.264 37.782 38.000 0.076 0.000 1.071 530 I HN 0.374 nan 8.210 nan 0.000 0.419 531 A N 0.738 123.579 122.820 0.034 0.000 1.969 531 A HA -0.126 4.175 4.320 -0.032 0.000 0.218 531 A C 2.259 179.854 177.584 0.019 0.000 1.169 531 A CA 1.238 53.289 52.037 0.024 0.000 0.635 531 A CB -0.358 18.655 19.000 0.021 0.000 0.810 531 A HN 0.356 nan 8.150 nan 0.000 0.445 532 R N -0.983 119.527 120.500 0.017 0.000 2.334 532 R HA 0.133 4.454 4.340 -0.032 0.000 0.216 532 R C 0.583 176.895 176.300 0.020 0.000 0.905 532 R CA 0.402 56.510 56.100 0.014 0.000 1.064 532 R CB 0.308 30.611 30.300 0.006 0.000 1.046 532 R HN 0.388 nan 8.270 nan 0.000 0.508 533 E N 0.007 120.223 120.200 0.027 0.000 2.541 533 E HA 0.051 4.382 4.350 -0.032 0.000 0.219 533 E C 0.377 176.994 176.600 0.029 0.000 0.922 533 E CA 0.556 56.976 56.400 0.033 0.000 1.095 533 E CB 1.400 31.129 29.700 0.048 0.000 1.112 533 E HN 0.213 nan 8.360 nan 0.000 0.516 534 T N -2.091 112.478 114.554 0.025 0.000 2.864 534 T HA 0.388 4.719 4.350 -0.032 0.000 0.289 534 T C 0.087 174.795 174.700 0.015 0.000 1.082 534 T CA -0.733 61.378 62.100 0.019 0.000 1.009 534 T CB 1.785 70.664 68.868 0.018 0.000 1.234 534 T HN -0.342 nan 8.240 nan 0.000 0.526 535 D N 0.171 120.577 120.400 0.010 0.000 2.340 535 D HA 0.259 4.880 4.640 -0.032 0.000 0.217 535 D C 0.389 176.694 176.300 0.008 0.000 1.081 535 D CA -0.037 53.968 54.000 0.009 0.000 0.842 535 D CB 0.157 40.960 40.800 0.006 0.000 0.934 535 D HN 0.525 nan 8.370 nan 0.000 0.511 536 I N 1.850 122.425 120.570 0.009 0.000 2.556 536 I HA -0.055 4.097 4.170 -0.032 0.000 0.284 536 I C 0.506 176.631 176.117 0.012 0.000 1.114 536 I CA 0.234 61.538 61.300 0.008 0.000 1.418 536 I CB 0.538 38.542 38.000 0.008 0.000 1.394 536 I HN -0.352 nan 8.210 nan 0.000 0.552 537 Q N 7.522 127.328 119.800 0.010 0.000 2.400 537 Q HA 0.470 4.792 4.340 -0.032 0.000 0.255 537 Q C -0.698 175.310 176.000 0.014 0.000 1.008 537 Q CA -0.500 55.310 55.803 0.012 0.000 0.841 537 Q CB 1.969 30.712 28.738 0.009 0.000 1.220 537 Q HN 0.571 nan 8.270 nan 0.000 0.474 538 L N 2.743 123.979 121.223 0.021 0.000 2.326 538 L HA 0.394 4.715 4.340 -0.032 0.000 0.278 538 L C 1.039 177.928 176.870 0.032 0.000 1.092 538 L CA -0.404 54.451 54.840 0.025 0.000 0.810 538 L CB 0.766 42.845 42.059 0.033 0.000 1.153 538 L HN 0.342 nan 8.230 nan 0.000 0.439 539 R N 0.000 120.521 120.500 0.036 0.000 2.786 539 R HA 0.000 4.321 4.340 -0.032 0.000 0.208 539 R CA 0.000 56.129 56.100 0.048 0.000 0.921 539 R CB 0.000 30.332 30.300 0.054 0.000 0.687 539 R HN 0.000 nan 8.270 nan 0.000 0.535