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 1d7y_1_A DATA FIRST_RESID 5 DATA SEQUENCE ALKAPVVVLG AGLASVSFVA ELRQAGYQGL ITVVGDEAER PYDRPPLSKD DATA SEQUENCE FMAHGDAEKI RLDCKRAPEV EWLLGVTAQS FDPQAHTVAL SDGRTLPYGT DATA SEQUENCE LVLATGAAPR ALPTLQGATM PVHTLRTLED ARRIQAGLRP QSRLLIVGGG DATA SEQUENCE VIGLELAATA RTAGVHVSLV ETQPRLMSRA APATLADFVA RYHAAQGVDL DATA SEQUENCE RFERSVTGSV DGVVLLDDGT RIAADMVVVG IGVLANDALA RAAGLACDDG DATA SEQUENCE IFVDAYGRTT CPDVYALGDV TRQRNPLSGR FERIETWSNA QNQGIAVARH DATA SEQUENCE LVDPTAPGYA ELPWYWSDQG ALRIQVAGLA SGDEEIVRGE VSLDAPKFTL DATA SEQUENCE IELQKGRIVG ATCVNNARDF APLRRLLAVG AKPDRAALAD PATDLRKLAA DATA SEQUENCE A 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.570 177.584 -0.024 0.000 1.274 5 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 5 A CB 0.000 18.968 19.000 -0.054 0.000 0.831 6 L N 1.224 122.398 121.223 -0.081 0.000 2.315 6 L HA 0.409 4.748 4.340 -0.001 0.000 0.283 6 L C -0.537 176.300 176.870 -0.055 0.000 1.089 6 L CA 0.047 54.810 54.840 -0.127 0.000 0.833 6 L CB 0.572 42.497 42.059 -0.224 0.000 1.170 6 L HN 0.570 nan 8.230 nan 0.000 0.442 7 K N 4.416 124.803 120.400 -0.021 0.000 2.323 7 K HA 0.622 4.942 4.320 -0.001 0.000 0.259 7 K C -0.554 176.078 176.600 0.053 0.000 0.947 7 K CA -0.623 55.685 56.287 0.036 0.000 0.819 7 K CB 2.042 34.584 32.500 0.070 0.000 1.109 7 K HN 0.573 nan 8.250 nan 0.000 0.429 8 A N 3.882 126.761 122.820 0.099 0.000 2.302 8 A HA 0.547 4.866 4.320 -0.001 0.000 0.285 8 A C -2.164 175.487 177.584 0.113 0.000 1.105 8 A CA -1.221 50.908 52.037 0.153 0.000 0.816 8 A CB -0.127 19.009 19.000 0.225 0.000 1.067 8 A HN 0.501 nan 8.150 nan 0.000 0.489 9 P HA 0.449 nan 4.420 nan 0.000 0.282 9 P C -0.905 176.481 177.300 0.143 0.000 1.259 9 P CA -0.462 62.731 63.100 0.154 0.000 0.826 9 P CB 1.133 32.900 31.700 0.112 0.000 1.064 10 V N 1.706 121.695 119.914 0.126 0.000 2.465 10 V HA 0.233 4.353 4.120 -0.001 0.000 0.279 10 V C 0.283 176.399 176.094 0.037 0.000 1.045 10 V CA -0.340 61.990 62.300 0.052 0.000 0.938 10 V CB 1.438 33.255 31.823 -0.010 0.000 0.986 10 V HN 0.255 nan 8.190 nan 0.000 0.467 11 V N 5.820 125.728 119.914 -0.011 0.000 2.444 11 V HA 0.473 4.592 4.120 -0.001 0.000 0.294 11 V C -0.347 175.659 176.094 -0.147 0.000 1.022 11 V CA -0.543 61.718 62.300 -0.066 0.000 0.850 11 V CB 2.067 33.856 31.823 -0.056 0.000 0.992 11 V HN 0.596 nan 8.190 nan 0.000 0.426 12 V N 6.255 126.093 119.914 -0.127 0.000 2.417 12 V HA 0.492 4.612 4.120 -0.001 0.000 0.291 12 V C -0.219 175.793 176.094 -0.138 0.000 1.024 12 V CA -0.581 61.624 62.300 -0.158 0.000 0.861 12 V CB 1.833 33.598 31.823 -0.096 0.000 0.985 12 V HN 0.627 nan 8.190 nan 0.000 0.436 13 L N 4.717 125.841 121.223 -0.166 0.000 2.272 13 L HA 0.839 5.179 4.340 -0.001 0.000 0.289 13 L C 0.646 177.467 176.870 -0.082 0.000 1.032 13 L CA -0.144 54.627 54.840 -0.114 0.000 0.810 13 L CB 1.123 43.099 42.059 -0.139 0.000 1.205 13 L HN 0.956 nan 8.230 nan 0.000 0.422 14 G N 2.645 111.426 108.800 -0.033 0.000 2.906 14 G HA2 0.135 4.094 3.960 -0.001 0.000 0.686 14 G HA3 0.135 4.094 3.960 -0.001 0.000 0.686 14 G C -0.460 174.457 174.900 0.029 0.000 1.170 14 G CA -0.326 44.764 45.100 -0.016 0.000 0.775 14 G HN 0.885 nan 8.290 nan 0.000 0.630 15 A N 1.391 124.246 122.820 0.057 0.000 2.911 15 A HA 0.811 5.131 4.320 -0.001 0.000 0.304 15 A C 1.186 178.786 177.584 0.027 0.000 1.144 15 A CA 1.067 53.189 52.037 0.142 0.000 0.988 15 A CB -0.129 19.002 19.000 0.218 0.000 1.141 15 A HN 2.128 nan 8.150 nan 0.000 0.552 16 G N -1.078 107.705 108.800 -0.029 0.000 2.531 16 G HA2 0.416 4.375 3.960 -0.001 0.000 0.281 16 G HA3 0.416 4.375 3.960 -0.001 0.000 0.281 16 G C 0.855 175.709 174.900 -0.077 0.000 1.382 16 G CA -0.164 44.870 45.100 -0.108 0.000 1.045 16 G HN 0.438 nan 8.290 nan 0.000 0.533 17 L N 0.271 121.426 121.223 -0.113 0.000 2.079 17 L HA -0.025 4.314 4.340 -0.001 0.000 0.210 17 L C 2.945 179.748 176.870 -0.113 0.000 1.081 17 L CA 2.792 57.562 54.840 -0.118 0.000 0.752 17 L CB -0.789 41.164 42.059 -0.176 0.000 0.896 17 L HN 0.525 nan 8.230 nan 0.000 0.433 18 A N -1.509 121.243 122.820 -0.114 0.000 1.877 18 A HA -0.226 4.094 4.320 -0.001 0.000 0.216 18 A C 2.535 180.106 177.584 -0.022 0.000 1.186 18 A CA 1.975 53.950 52.037 -0.104 0.000 0.620 18 A CB -1.197 17.725 19.000 -0.131 0.000 0.822 18 A HN 0.565 nan 8.150 nan 0.000 0.443 19 S N -0.601 115.099 115.700 0.000 0.000 2.356 19 S HA -0.128 4.341 4.470 -0.001 0.000 0.223 19 S C 1.917 176.634 174.600 0.194 0.000 1.032 19 S CA 1.719 59.967 58.200 0.081 0.000 1.005 19 S CB -0.567 62.679 63.200 0.075 0.000 0.867 19 S HN 0.277 nan 8.310 nan 0.000 0.449 20 V N 1.760 121.789 119.914 0.191 0.000 2.343 20 V HA -0.117 4.002 4.120 -0.001 0.000 0.247 20 V C 2.730 178.915 176.094 0.152 0.000 1.051 20 V CA 2.211 64.663 62.300 0.254 0.000 1.036 20 V CB -0.990 30.916 31.823 0.139 0.000 0.654 20 V HN 0.556 nan 8.190 nan 0.000 0.451 21 S N -0.267 115.474 115.700 0.068 0.000 2.402 21 S HA -0.152 4.318 4.470 -0.001 0.000 0.229 21 S C 1.733 176.366 174.600 0.054 0.000 1.021 21 S CA 1.595 59.809 58.200 0.023 0.000 0.974 21 S CB -0.438 62.728 63.200 -0.057 0.000 0.800 21 S HN 0.604 nan 8.310 nan 0.000 0.484 22 F N 3.453 123.368 119.950 -0.059 0.000 2.060 22 F HA -0.149 4.377 4.527 -0.001 0.000 0.295 22 F C 2.354 178.121 175.800 -0.055 0.000 1.120 22 F CA 1.531 59.486 58.000 -0.076 0.000 1.205 22 F CB -0.743 38.197 39.000 -0.100 0.000 0.986 22 F HN 0.077 nan 8.300 nan 0.000 0.470 23 V N -0.042 119.848 119.914 -0.041 0.000 2.343 23 V HA -0.152 3.967 4.120 -0.001 0.000 0.247 23 V C 2.418 178.438 176.094 -0.123 0.000 1.051 23 V CA 1.714 63.915 62.300 -0.164 0.000 1.036 23 V CB -2.084 29.702 31.823 -0.062 0.000 0.654 23 V HN 0.419 nan 8.190 nan 0.000 0.451 24 A N 0.464 123.272 122.820 -0.021 0.000 1.902 24 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 24 A C 2.197 179.744 177.584 -0.061 0.000 1.181 24 A CA 2.152 54.188 52.037 -0.002 0.000 0.623 24 A CB -0.722 18.301 19.000 0.039 0.000 0.818 24 A HN 0.668 nan 8.150 nan 0.000 0.443 25 E N 0.098 120.232 120.200 -0.111 0.000 2.150 25 E HA -0.088 4.262 4.350 -0.001 0.000 0.193 25 E C 1.828 178.321 176.600 -0.178 0.000 0.985 25 E CA 0.885 57.209 56.400 -0.126 0.000 0.814 25 E CB -0.376 29.249 29.700 -0.126 0.000 0.752 25 E HN 0.596 nan 8.360 nan 0.000 0.466 26 L N 0.069 121.109 121.223 -0.305 0.000 1.989 26 L HA -0.208 4.131 4.340 -0.001 0.000 0.211 26 L C 2.638 179.466 176.870 -0.070 0.000 1.071 26 L CA 1.383 56.062 54.840 -0.269 0.000 0.749 26 L CB -0.406 41.421 42.059 -0.386 0.000 0.890 26 L HN 0.145 nan 8.230 nan 0.000 0.431 27 R N -0.268 120.200 120.500 -0.053 0.000 2.083 27 R HA -0.190 4.150 4.340 -0.001 0.000 0.237 27 R C 2.173 178.457 176.300 -0.027 0.000 1.137 27 R CA 1.281 57.366 56.100 -0.026 0.000 0.951 27 R CB -0.685 29.599 30.300 -0.026 0.000 0.851 27 R HN 0.345 nan 8.270 nan 0.000 0.434 28 Q N 0.187 119.968 119.800 -0.033 0.000 2.124 28 Q HA 0.006 4.346 4.340 -0.001 0.000 0.202 28 Q C 1.922 177.908 176.000 -0.022 0.000 0.977 28 Q CA 1.858 57.648 55.803 -0.023 0.000 0.850 28 Q CB -0.400 28.326 28.738 -0.020 0.000 0.901 28 Q HN 0.383 nan 8.270 nan 0.000 0.429 29 A N -1.566 121.235 122.820 -0.033 0.000 2.066 29 A HA 0.262 4.581 4.320 -0.001 0.000 0.218 29 A C 1.578 179.155 177.584 -0.011 0.000 1.157 29 A CA 1.491 53.512 52.037 -0.026 0.000 0.670 29 A CB -0.214 18.758 19.000 -0.048 0.000 0.804 29 A HN 0.468 nan 8.150 nan 0.000 0.453 30 G N -3.218 105.580 108.800 -0.002 0.000 2.260 30 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.179 30 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.179 30 G C 0.069 174.981 174.900 0.020 0.000 1.002 30 G CA 0.033 45.133 45.100 -0.000 0.000 0.677 30 G HN 0.732 nan 8.290 nan 0.000 0.486 31 Y N 2.125 122.372 120.300 -0.089 0.000 2.605 31 Y HA 0.536 5.086 4.550 -0.001 0.000 0.336 31 Y C 1.142 176.995 175.900 -0.079 0.000 1.111 31 Y CA 0.358 58.404 58.100 -0.090 0.000 1.422 31 Y CB 1.227 39.613 38.460 -0.123 0.000 1.193 31 Y HN 0.081 nan 8.280 nan 0.000 0.526 32 Q N 4.216 123.688 119.800 -0.546 0.000 2.219 32 Q HA 0.317 4.657 4.340 -0.001 0.000 0.209 32 Q C 0.602 176.203 176.000 -0.666 0.000 0.854 32 Q CA 0.228 55.748 55.803 -0.473 0.000 0.960 32 Q CB 0.492 29.084 28.738 -0.243 0.000 1.116 32 Q HN 0.930 nan 8.270 nan 0.000 0.500 33 G N -0.251 107.722 108.800 -1.378 0.000 2.563 33 G HA2 0.305 4.264 3.960 -0.001 0.000 0.283 33 G HA3 0.305 4.264 3.960 -0.001 0.000 0.283 33 G C -0.830 173.771 174.900 -0.497 0.000 1.309 33 G CA -0.634 43.938 45.100 -0.880 0.000 1.022 33 G HN 0.242 nan 8.290 nan 0.000 0.501 34 L N -0.387 120.766 121.223 -0.115 0.000 2.490 34 L HA 0.353 4.693 4.340 -0.001 0.000 0.274 34 L C -0.046 176.888 176.870 0.108 0.000 1.201 34 L CA 0.677 55.513 54.840 -0.006 0.000 0.869 34 L CB 0.299 42.374 42.059 0.026 0.000 1.123 34 L HN 0.256 nan 8.230 nan 0.000 0.484 35 I N 3.486 124.068 120.570 0.021 0.000 2.512 35 I HA 0.295 4.465 4.170 -0.001 0.000 0.287 35 I C -0.738 175.308 176.117 -0.118 0.000 1.069 35 I CA -0.390 60.908 61.300 -0.004 0.000 1.056 35 I CB 2.013 39.992 38.000 -0.034 0.000 1.229 35 I HN 0.464 nan 8.210 nan 0.000 0.429 36 T N 5.266 119.754 114.554 -0.110 0.000 2.841 36 T HA 0.537 4.886 4.350 -0.001 0.000 0.285 36 T C -0.474 174.119 174.700 -0.178 0.000 0.991 36 T CA -0.521 61.491 62.100 -0.147 0.000 0.966 36 T CB 2.212 71.044 68.868 -0.061 0.000 0.962 36 T HN 0.143 nan 8.240 nan 0.000 0.438 37 V N 3.672 123.430 119.914 -0.260 0.000 2.417 37 V HA 0.500 4.619 4.120 -0.001 0.000 0.291 37 V C -0.249 175.829 176.094 -0.026 0.000 1.024 37 V CA -0.772 61.414 62.300 -0.190 0.000 0.861 37 V CB 1.843 33.438 31.823 -0.380 0.000 0.985 37 V HN 0.723 nan 8.190 nan 0.000 0.436 38 V N 3.768 123.682 119.914 -0.000 0.000 2.370 38 V HA 0.797 4.916 4.120 -0.001 0.000 0.283 38 V C 0.611 176.741 176.094 0.059 0.000 1.023 38 V CA -0.233 62.088 62.300 0.035 0.000 0.857 38 V CB 1.524 33.352 31.823 0.007 0.000 0.985 38 V HN 0.981 nan 8.190 nan 0.000 0.443 39 G N 2.607 111.462 108.800 0.091 0.000 2.626 39 G HA2 0.476 4.435 3.960 -0.001 0.000 0.304 39 G HA3 0.476 4.435 3.960 -0.001 0.000 0.304 39 G C 0.309 175.249 174.900 0.066 0.000 1.385 39 G CA -0.346 44.804 45.100 0.083 0.000 0.957 39 G HN 0.715 nan 8.290 nan 0.000 0.504 40 D N 1.417 121.845 120.400 0.046 0.000 2.269 40 D HA -0.093 4.547 4.640 -0.001 0.000 0.208 40 D C 0.472 176.802 176.300 0.050 0.000 0.963 40 D CA 0.616 54.642 54.000 0.043 0.000 0.864 40 D CB 0.249 41.068 40.800 0.032 0.000 0.936 40 D HN 0.494 nan 8.370 nan 0.000 0.505 41 E N 0.097 120.333 120.200 0.059 0.000 2.289 41 E HA 0.407 4.757 4.350 -0.001 0.000 0.278 41 E C -0.429 176.217 176.600 0.077 0.000 1.032 41 E CA -0.382 56.063 56.400 0.075 0.000 0.854 41 E CB 1.271 31.039 29.700 0.114 0.000 1.046 41 E HN 0.211 nan 8.360 nan 0.000 0.409 42 A N 5.031 127.889 122.820 0.062 0.000 3.091 42 A HA 0.089 4.408 4.320 -0.001 0.000 0.264 42 A C -0.284 177.330 177.584 0.050 0.000 1.673 42 A CA -0.005 52.064 52.037 0.052 0.000 1.362 42 A CB -0.024 18.999 19.000 0.038 0.000 1.137 42 A HN 0.440 nan 8.150 nan 0.000 0.617 43 E N 0.139 120.383 120.200 0.074 0.000 2.343 43 E HA 0.226 4.575 4.350 -0.001 0.000 0.278 43 E C -0.873 175.773 176.600 0.077 0.000 0.910 43 E CA -0.870 55.578 56.400 0.080 0.000 0.757 43 E CB 1.786 31.573 29.700 0.145 0.000 1.218 43 E HN 0.553 nan 8.360 nan 0.000 0.435 44 R N 2.391 122.911 120.500 0.034 0.000 2.484 44 R HA 0.113 4.452 4.340 -0.001 0.000 0.293 44 R C -2.227 174.091 176.300 0.029 0.000 1.023 44 R CA -0.898 55.181 56.100 -0.034 0.000 1.037 44 R CB 0.016 30.291 30.300 -0.043 0.000 0.951 44 R HN 0.081 nan 8.270 nan 0.000 0.418 45 P HA -0.136 nan 4.420 nan 0.000 0.261 45 P C -1.525 175.783 177.300 0.014 0.000 1.158 45 P CA 0.962 63.994 63.100 -0.113 0.000 0.758 45 P CB 0.051 31.585 31.700 -0.277 0.000 0.763 46 Y N -0.012 120.257 120.300 -0.052 0.000 2.638 46 Y HA 0.709 5.259 4.550 -0.001 0.000 0.339 46 Y C -0.600 175.313 175.900 0.021 0.000 1.084 46 Y CA -1.640 56.447 58.100 -0.021 0.000 1.068 46 Y CB 0.982 39.415 38.460 -0.044 0.000 1.294 46 Y HN 0.068 nan 8.280 nan 0.000 0.480 47 D N 0.541 121.061 120.400 0.200 0.000 2.210 47 D HA 0.359 4.998 4.640 -0.001 0.000 0.249 47 D C 0.449 176.880 176.300 0.218 0.000 1.078 47 D CA -0.392 53.721 54.000 0.188 0.000 0.875 47 D CB 1.541 42.510 40.800 0.282 0.000 1.175 47 D HN 0.705 nan 8.370 nan 0.000 0.440 48 R N 2.754 123.340 120.500 0.144 0.000 2.127 48 R HA 0.031 4.370 4.340 -0.001 0.000 0.217 48 R C -0.938 175.414 176.300 0.087 0.000 1.074 48 R CA 0.496 56.666 56.100 0.117 0.000 0.991 48 R CB -0.665 29.661 30.300 0.044 0.000 0.895 48 R HN 0.385 nan 8.270 nan 0.000 0.450 49 P HA -0.126 nan 4.420 nan 0.000 0.216 49 P C -1.606 175.740 177.300 0.077 0.000 1.154 49 P CA 1.624 64.744 63.100 0.033 0.000 0.865 49 P CB -0.851 30.882 31.700 0.055 0.000 0.789 50 P HA -0.103 nan 4.420 nan 0.000 0.220 50 P C 1.417 178.789 177.300 0.121 0.000 1.148 50 P CA 1.034 64.219 63.100 0.143 0.000 0.803 50 P CB -0.593 31.222 31.700 0.191 0.000 0.782 51 L N -0.463 120.787 121.223 0.045 0.000 2.081 51 L HA -0.184 4.156 4.340 -0.001 0.000 0.212 51 L C 2.021 178.935 176.870 0.072 0.000 1.080 51 L CA 2.166 57.002 54.840 -0.007 0.000 0.754 51 L CB -1.151 40.859 42.059 -0.082 0.000 0.893 51 L HN 0.157 nan 8.230 nan 0.000 0.433 52 S N -2.476 113.252 115.700 0.047 0.000 2.557 52 S HA 0.182 4.651 4.470 -0.001 0.000 0.223 52 S C 0.821 175.451 174.600 0.049 0.000 0.969 52 S CA -0.530 57.694 58.200 0.039 0.000 0.927 52 S CB 0.415 63.620 63.200 0.008 0.000 0.806 52 S HN 0.358 nan 8.310 nan 0.000 0.489 53 K N 1.123 121.564 120.400 0.067 0.000 3.690 53 K HA 0.365 4.684 4.320 -0.001 0.000 0.291 53 K C 0.435 177.061 176.600 0.042 0.000 0.984 53 K CA -0.296 56.031 56.287 0.067 0.000 1.581 53 K CB -0.247 32.310 32.500 0.095 0.000 3.336 53 K HN -0.159 nan 8.250 nan 0.000 0.998 54 D N 1.058 121.487 120.400 0.049 0.000 2.158 54 D HA -0.188 4.451 4.640 -0.001 0.000 0.197 54 D C 1.607 177.719 176.300 -0.313 0.000 0.995 54 D CA 1.309 55.297 54.000 -0.020 0.000 0.846 54 D CB -0.166 40.704 40.800 0.116 0.000 0.941 54 D HN 0.186 nan 8.370 nan 0.000 0.456 55 F N 0.969 120.680 119.950 -0.398 0.000 2.161 55 F HA -0.198 4.328 4.527 -0.001 0.000 0.300 55 F C 2.160 177.728 175.800 -0.387 0.000 1.089 55 F CA 1.023 58.676 58.000 -0.579 0.000 1.282 55 F CB -0.077 38.791 39.000 -0.219 0.000 1.010 55 F HN -0.162 nan 8.300 nan 0.000 0.485 56 M N -0.066 119.442 119.600 -0.152 0.000 2.358 56 M HA -0.123 4.357 4.480 -0.001 0.000 0.264 56 M C 2.228 178.380 176.300 -0.247 0.000 1.064 56 M CA 1.337 56.546 55.300 -0.152 0.000 1.093 56 M CB -1.816 30.766 32.600 -0.031 0.000 1.401 56 M HN 0.360 nan 8.290 nan 0.000 0.440 57 A N -0.248 122.401 122.820 -0.284 0.000 1.862 57 A HA -0.090 4.229 4.320 -0.001 0.000 0.211 57 A C 1.748 179.206 177.584 -0.210 0.000 1.220 57 A CA 1.342 53.262 52.037 -0.196 0.000 0.616 57 A CB -0.866 18.073 19.000 -0.102 0.000 0.878 57 A HN 0.605 nan 8.150 nan 0.000 0.453 58 H N -2.494 116.457 119.070 -0.198 0.000 2.544 58 H HA 0.382 4.937 4.556 -0.001 0.000 0.269 58 H C 1.315 176.436 175.328 -0.346 0.000 0.970 58 H CA 0.554 56.478 56.048 -0.206 0.000 1.219 58 H CB -0.746 28.946 29.762 -0.117 0.000 1.421 58 H HN 0.640 nan 8.280 nan 0.000 0.555 59 G N 0.584 108.962 108.800 -0.704 0.000 2.244 59 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.274 59 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.274 59 G C -0.137 174.560 174.900 -0.338 0.000 1.002 59 G CA 0.685 45.199 45.100 -0.978 0.000 0.740 59 G HN 0.689 nan 8.290 nan 0.000 0.516 60 D N 0.179 120.711 120.400 0.221 0.000 2.456 60 D HA 0.640 5.280 4.640 -0.001 0.000 0.219 60 D C 1.421 177.961 176.300 0.400 0.000 1.126 60 D CA 0.268 54.405 54.000 0.228 0.000 0.890 60 D CB 0.475 41.272 40.800 -0.005 0.000 1.025 60 D HN 0.269 nan 8.370 nan 0.000 0.511 61 A N 4.100 127.167 122.820 0.412 0.000 2.070 61 A HA -0.142 4.177 4.320 -0.001 0.000 0.220 61 A C 1.706 179.370 177.584 0.134 0.000 1.159 61 A CA 0.935 53.136 52.037 0.274 0.000 0.656 61 A CB -0.118 18.934 19.000 0.086 0.000 0.800 61 A HN 0.453 nan 8.150 nan 0.000 0.453 62 E N 0.276 120.533 120.200 0.095 0.000 2.418 62 E HA -0.068 4.281 4.350 -0.001 0.000 0.197 62 E C 1.347 177.972 176.600 0.042 0.000 1.026 62 E CA 0.775 57.203 56.400 0.047 0.000 0.862 62 E CB -0.194 29.517 29.700 0.019 0.000 0.799 62 E HN 0.660 nan 8.360 nan 0.000 0.518 63 K N 0.485 120.918 120.400 0.053 0.000 2.426 63 K HA 0.140 4.460 4.320 -0.001 0.000 0.193 63 K C 1.703 178.370 176.600 0.111 0.000 1.028 63 K CA 0.304 56.606 56.287 0.024 0.000 1.047 63 K CB 0.277 32.699 32.500 -0.131 0.000 0.821 63 K HN 0.216 nan 8.250 nan 0.000 0.513 64 I N -2.636 118.026 120.570 0.155 0.000 4.147 64 I HA 0.222 4.392 4.170 -0.001 0.000 0.329 64 I C -0.216 176.002 176.117 0.168 0.000 1.424 64 I CA -0.710 60.696 61.300 0.175 0.000 1.127 64 I CB 0.347 38.468 38.000 0.203 0.000 1.128 64 I HN -0.201 nan 8.210 nan 0.000 0.417 65 R N 2.136 122.710 120.500 0.123 0.000 2.694 65 R HA 0.430 4.770 4.340 -0.001 0.000 0.268 65 R C -0.284 176.065 176.300 0.081 0.000 1.061 65 R CA -0.254 55.909 56.100 0.105 0.000 1.133 65 R CB 1.061 31.390 30.300 0.048 0.000 1.020 65 R HN 0.315 nan 8.270 nan 0.000 0.475 66 L N 1.080 122.330 121.223 0.045 0.000 2.399 66 L HA 0.126 4.465 4.340 -0.001 0.000 0.266 66 L C 0.612 177.474 176.870 -0.013 0.000 1.114 66 L CA -0.677 54.179 54.840 0.028 0.000 0.804 66 L CB 0.728 42.783 42.059 -0.006 0.000 1.146 66 L HN 0.431 nan 8.230 nan 0.000 0.451 67 D N 0.927 121.334 120.400 0.013 0.000 2.374 67 D HA 0.086 4.726 4.640 -0.001 0.000 0.240 67 D C 0.276 176.575 176.300 -0.001 0.000 1.229 67 D CA -0.231 53.772 54.000 0.006 0.000 0.895 67 D CB 0.689 41.509 40.800 0.033 0.000 1.046 67 D HN 0.438 nan 8.370 nan 0.000 0.498 68 C N 4.219 123.489 119.300 -0.051 0.000 2.673 68 C HA 0.172 4.632 4.460 -0.001 0.000 0.274 68 C C 2.029 177.071 174.990 0.087 0.000 1.276 68 C CA -0.472 58.536 59.018 -0.016 0.000 1.701 68 C CB -0.407 27.148 27.740 -0.309 0.000 1.836 68 C HN 0.534 nan 8.230 nan 0.000 0.596 69 K N 1.431 121.861 120.400 0.050 0.000 2.432 69 K HA 0.037 4.356 4.320 -0.001 0.000 0.196 69 K C 1.904 178.545 176.600 0.069 0.000 1.038 69 K CA 0.492 56.816 56.287 0.062 0.000 0.986 69 K CB -0.115 32.406 32.500 0.035 0.000 0.782 69 K HN 0.643 nan 8.250 nan 0.000 0.485 70 R N -0.134 120.409 120.500 0.072 0.000 2.307 70 R HA 0.123 4.462 4.340 -0.001 0.000 0.199 70 R C 0.668 177.010 176.300 0.070 0.000 1.000 70 R CA 0.430 56.565 56.100 0.059 0.000 1.023 70 R CB 0.111 30.442 30.300 0.051 0.000 0.908 70 R HN -0.101 nan 8.270 nan 0.000 0.473 71 A N 3.554 126.446 122.820 0.120 0.000 3.047 71 A HA 0.338 4.658 4.320 -0.001 0.000 0.337 71 A C -2.311 175.349 177.584 0.127 0.000 1.143 71 A CA -1.731 50.382 52.037 0.128 0.000 0.905 71 A CB 0.226 19.361 19.000 0.226 0.000 1.088 71 A HN -0.009 nan 8.150 nan 0.000 0.488 72 P HA 0.091 nan 4.420 nan 0.000 0.269 72 P C -0.041 177.276 177.300 0.028 0.000 1.209 72 P CA 0.525 63.658 63.100 0.055 0.000 0.776 72 P CB 0.390 32.104 31.700 0.024 0.000 0.876 73 E N -1.234 118.987 120.200 0.034 0.000 2.228 73 E HA -0.137 4.212 4.350 -0.001 0.000 0.213 73 E C -0.893 175.684 176.600 -0.038 0.000 1.282 73 E CA 0.233 56.633 56.400 0.002 0.000 0.707 73 E CB -1.089 28.594 29.700 -0.029 0.000 1.150 73 E HN 0.164 nan 8.360 nan 0.000 0.362 74 V N 1.226 121.116 119.914 -0.040 0.000 2.495 74 V HA 0.253 4.372 4.120 -0.001 0.000 0.298 74 V C 0.149 176.080 176.094 -0.272 0.000 1.031 74 V CA -0.513 61.646 62.300 -0.235 0.000 0.871 74 V CB 1.814 33.374 31.823 -0.438 0.000 0.988 74 V HN 0.293 nan 8.190 nan 0.000 0.432 75 E N 4.074 124.116 120.200 -0.264 0.000 2.130 75 E HA 0.267 4.616 4.350 -0.001 0.000 0.284 75 E C -1.519 174.946 176.600 -0.225 0.000 1.018 75 E CA -0.407 55.916 56.400 -0.129 0.000 0.817 75 E CB 0.654 30.323 29.700 -0.052 0.000 1.078 75 E HN 0.585 nan 8.360 nan 0.000 0.396 76 W N 5.823 127.137 121.300 0.023 0.000 2.291 76 W HA 0.319 4.979 4.660 -0.000 0.000 0.312 76 W C -0.624 175.908 176.519 0.022 0.000 1.061 76 W CA -0.671 56.688 57.345 0.022 0.000 1.296 76 W CB 0.710 30.183 29.460 0.022 0.000 1.223 76 W HN 0.389 nan 8.180 nan 0.000 0.421 77 L N 5.860 127.196 121.223 0.188 0.000 2.328 77 L HA 0.312 4.652 4.340 -0.001 0.000 0.280 77 L C -0.003 176.952 176.870 0.141 0.000 1.111 77 L CA -0.392 54.527 54.840 0.131 0.000 0.909 77 L CB -0.291 41.813 42.059 0.075 0.000 1.277 77 L HN 0.320 nan 8.230 nan 0.000 0.433 78 L N 2.354 123.663 121.223 0.143 0.000 2.399 78 L HA 0.468 4.807 4.340 -0.001 0.000 0.266 78 L C 1.330 178.248 176.870 0.080 0.000 1.114 78 L CA -0.163 54.746 54.840 0.114 0.000 0.804 78 L CB 1.080 43.199 42.059 0.099 0.000 1.146 78 L HN 0.773 nan 8.230 nan 0.000 0.451 79 G N 1.976 110.817 108.800 0.069 0.000 2.153 79 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.252 79 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.252 79 G C -0.233 174.696 174.900 0.049 0.000 0.994 79 G CA 0.056 45.188 45.100 0.054 0.000 0.698 79 G HN 0.354 nan 8.290 nan 0.000 0.521 80 V N 0.380 120.327 119.914 0.054 0.000 2.555 80 V HA 0.720 4.839 4.120 -0.001 0.000 0.302 80 V C 0.361 176.480 176.094 0.042 0.000 1.038 80 V CA -0.314 62.014 62.300 0.047 0.000 0.887 80 V CB 2.066 33.919 31.823 0.050 0.000 0.991 80 V HN 0.263 nan 8.190 nan 0.000 0.434 81 T N 3.645 118.221 114.554 0.036 0.000 2.794 81 T HA 0.606 4.956 4.350 -0.001 0.000 0.280 81 T C 0.147 174.868 174.700 0.035 0.000 0.987 81 T CA -0.235 61.885 62.100 0.033 0.000 0.993 81 T CB 1.506 70.392 68.868 0.029 0.000 0.939 81 T HN 0.921 nan 8.240 nan 0.000 0.449 82 A N 3.100 125.940 122.820 0.033 0.000 2.396 82 A HA 0.248 4.567 4.320 -0.001 0.000 0.279 82 A C 1.149 178.766 177.584 0.055 0.000 1.165 82 A CA -0.320 51.743 52.037 0.044 0.000 0.824 82 A CB 0.176 19.195 19.000 0.032 0.000 1.100 82 A HN 0.951 nan 8.150 nan 0.000 0.516 83 Q N 1.293 121.128 119.800 0.058 0.000 2.302 83 Q HA 0.095 4.435 4.340 -0.001 0.000 0.202 83 Q C 0.378 176.413 176.000 0.058 0.000 0.936 83 Q CA 1.040 56.872 55.803 0.049 0.000 0.886 83 Q CB 0.118 28.879 28.738 0.039 0.000 0.986 83 Q HN 1.007 nan 8.270 nan 0.000 0.487 84 S N -0.777 114.980 115.700 0.094 0.000 2.688 84 S HA 0.484 4.953 4.470 -0.001 0.000 0.269 84 S C -1.445 173.283 174.600 0.213 0.000 1.060 84 S CA -1.160 57.098 58.200 0.096 0.000 0.844 84 S CB 0.438 63.644 63.200 0.010 0.000 1.095 84 S HN 0.269 nan 8.310 nan 0.000 0.466 85 F N -0.205 119.756 119.950 0.019 0.000 2.599 85 F HA 0.842 5.369 4.527 -0.001 0.000 0.311 85 F C -1.203 174.637 175.800 0.065 0.000 1.076 85 F CA -0.748 57.284 58.000 0.053 0.000 0.937 85 F CB 1.560 40.575 39.000 0.025 0.000 1.282 85 F HN 0.609 nan 8.300 nan 0.000 0.460 86 D N 3.914 124.493 120.400 0.299 0.000 2.461 86 D HA 0.332 4.972 4.640 -0.001 0.000 0.240 86 D C -1.922 174.521 176.300 0.239 0.000 1.094 86 D CA -2.456 51.632 54.000 0.146 0.000 0.868 86 D CB 2.031 42.895 40.800 0.105 0.000 1.062 86 D HN 0.304 nan 8.370 nan 0.000 0.530 87 P HA -0.137 nan 4.420 nan 0.000 0.222 87 P C 1.041 178.366 177.300 0.042 0.000 1.147 87 P CA 0.873 64.074 63.100 0.169 0.000 0.790 87 P CB 0.743 32.550 31.700 0.178 0.000 0.780 88 Q N 0.265 120.126 119.800 0.101 0.000 1.984 88 Q HA 0.036 4.376 4.340 -0.001 0.000 0.196 88 Q C 2.388 178.515 176.000 0.211 0.000 0.975 88 Q CA 1.718 57.605 55.803 0.140 0.000 0.827 88 Q CB -1.365 27.419 28.738 0.077 0.000 0.894 88 Q HN 0.210 nan 8.270 nan 0.000 0.438 89 A N 0.228 123.126 122.820 0.130 0.000 2.119 89 A HA -0.115 4.205 4.320 -0.001 0.000 0.217 89 A C -0.349 177.294 177.584 0.099 0.000 1.153 89 A CA 0.802 52.896 52.037 0.095 0.000 0.692 89 A CB -0.609 18.428 19.000 0.061 0.000 0.799 89 A HN 0.544 nan 8.150 nan 0.000 0.458 90 H N -0.156 118.809 119.070 -0.175 0.000 2.748 90 H HA -0.113 4.442 4.556 -0.000 0.000 0.322 90 H C 0.246 175.273 175.328 -0.502 0.000 1.208 90 H CA 0.766 56.404 56.048 -0.683 0.000 1.151 90 H CB -2.147 27.171 29.762 -0.740 0.000 1.505 90 H HN 0.732 nan 8.280 nan 0.000 0.429 91 T N -3.218 111.392 114.554 0.094 0.000 2.883 91 T HA 0.788 5.137 4.350 -0.001 0.000 0.296 91 T C -0.382 174.533 174.700 0.359 0.000 1.117 91 T CA -0.654 61.579 62.100 0.222 0.000 1.006 91 T CB 2.660 71.602 68.868 0.123 0.000 1.191 91 T HN 0.090 nan 8.240 nan 0.000 0.508 92 V N 0.961 121.036 119.914 0.269 0.000 2.588 92 V HA 0.789 4.909 4.120 -0.001 0.000 0.304 92 V C 0.184 176.361 176.094 0.138 0.000 1.042 92 V CA -1.069 61.357 62.300 0.210 0.000 0.877 92 V CB 1.457 33.358 31.823 0.131 0.000 0.996 92 V HN 1.341 nan 8.190 nan 0.000 0.425 93 A N 5.967 128.860 122.820 0.123 0.000 2.260 93 A HA 0.838 5.157 4.320 -0.001 0.000 0.308 93 A C -0.536 177.089 177.584 0.069 0.000 1.254 93 A CA -0.379 51.708 52.037 0.083 0.000 0.874 93 A CB 0.303 19.345 19.000 0.070 0.000 1.153 93 A HN 0.807 nan 8.150 nan 0.000 0.527 94 L N 2.103 123.359 121.223 0.056 0.000 2.352 94 L HA 0.349 4.688 4.340 -0.001 0.000 0.269 94 L C 1.634 178.528 176.870 0.040 0.000 1.034 94 L CA -0.362 54.506 54.840 0.047 0.000 0.806 94 L CB 1.761 43.846 42.059 0.044 0.000 1.244 94 L HN 0.891 nan 8.230 nan 0.000 0.447 95 S N -1.217 114.505 115.700 0.036 0.000 2.507 95 S HA -0.135 4.334 4.470 -0.001 0.000 0.235 95 S C 0.852 175.470 174.600 0.029 0.000 0.988 95 S CA 0.841 59.059 58.200 0.031 0.000 0.944 95 S CB -0.486 62.731 63.200 0.030 0.000 0.762 95 S HN 0.831 nan 8.310 nan 0.000 0.526 96 D N -0.024 120.395 120.400 0.031 0.000 2.325 96 D HA 0.327 4.966 4.640 -0.001 0.000 0.225 96 D C 1.347 177.664 176.300 0.028 0.000 1.096 96 D CA 0.407 54.424 54.000 0.029 0.000 0.844 96 D CB -0.426 40.393 40.800 0.031 0.000 0.925 96 D HN 0.478 nan 8.370 nan 0.000 0.513 97 G N 0.003 108.821 108.800 0.029 0.000 2.217 97 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.246 97 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.246 97 G C 0.453 175.371 174.900 0.030 0.000 0.990 97 G CA -0.224 44.892 45.100 0.027 0.000 0.627 97 G HN 0.342 nan 8.290 nan 0.000 0.522 98 R N 0.528 121.048 120.500 0.033 0.000 2.583 98 R HA 0.662 5.002 4.340 -0.001 0.000 0.268 98 R C -0.336 175.990 176.300 0.043 0.000 1.101 98 R CA 0.208 56.329 56.100 0.036 0.000 1.180 98 R CB 0.398 30.719 30.300 0.035 0.000 1.128 98 R HN 0.190 nan 8.270 nan 0.000 0.568 99 T N 1.553 116.135 114.554 0.047 0.000 2.886 99 T HA 0.508 4.857 4.350 -0.001 0.000 0.292 99 T C -0.402 174.337 174.700 0.064 0.000 1.012 99 T CA -0.611 61.525 62.100 0.060 0.000 0.982 99 T CB 1.411 70.312 68.868 0.056 0.000 1.018 99 T HN 0.203 nan 8.240 nan 0.000 0.451 100 L N 5.109 126.384 121.223 0.086 0.000 2.341 100 L HA 0.532 4.872 4.340 -0.001 0.000 0.278 100 L C -2.217 174.734 176.870 0.135 0.000 1.005 100 L CA -2.281 52.614 54.840 0.093 0.000 0.818 100 L CB 2.366 44.475 42.059 0.085 0.000 1.259 100 L HN 0.355 nan 8.230 nan 0.000 0.418 101 P HA 0.322 nan 4.420 nan 0.000 0.282 101 P C -1.792 175.613 177.300 0.175 0.000 1.259 101 P CA -0.299 62.857 63.100 0.094 0.000 0.826 101 P CB 1.265 32.988 31.700 0.039 0.000 1.064 102 Y N -2.635 117.719 120.300 0.090 0.000 2.571 102 Y HA 0.698 5.248 4.550 -0.000 0.000 0.341 102 Y C 0.640 176.626 175.900 0.144 0.000 1.076 102 Y CA -0.925 57.223 58.100 0.079 0.000 1.029 102 Y CB 0.603 39.079 38.460 0.027 0.000 1.308 102 Y HN 0.404 nan 8.280 nan 0.000 0.461 103 G N 0.300 109.282 108.800 0.303 0.000 2.641 103 G HA2 0.266 4.225 3.960 -0.001 0.000 0.207 103 G HA3 0.266 4.225 3.960 -0.001 0.000 0.207 103 G C -0.383 174.750 174.900 0.388 0.000 1.137 103 G CA 0.312 45.553 45.100 0.236 0.000 0.824 103 G HN 0.580 nan 8.290 nan 0.000 0.547 104 T N 0.811 115.568 114.554 0.337 0.000 2.840 104 T HA 0.518 4.868 4.350 -0.001 0.000 0.287 104 T C -1.568 173.152 174.700 0.033 0.000 0.991 104 T CA -0.349 61.880 62.100 0.215 0.000 0.964 104 T CB 2.375 71.264 68.868 0.035 0.000 0.954 104 T HN 0.103 nan 8.240 nan 0.000 0.438 105 L N 5.009 126.107 121.223 -0.208 0.000 2.307 105 L HA 0.771 5.110 4.340 -0.001 0.000 0.284 105 L C -1.068 175.581 176.870 -0.369 0.000 1.023 105 L CA -0.494 53.988 54.840 -0.596 0.000 0.810 105 L CB 1.304 42.552 42.059 -1.352 0.000 1.231 105 L HN 0.446 nan 8.230 nan 0.000 0.423 106 V N 6.421 126.109 119.914 -0.377 0.000 2.409 106 V HA 0.428 4.548 4.120 -0.001 0.000 0.291 106 V C -0.207 175.673 176.094 -0.357 0.000 1.020 106 V CA -0.591 61.481 62.300 -0.380 0.000 0.848 106 V CB 1.558 33.016 31.823 -0.608 0.000 0.990 106 V HN 0.574 nan 8.190 nan 0.000 0.430 107 L N 4.430 125.473 121.223 -0.299 0.000 2.262 107 L HA 0.739 5.078 4.340 -0.001 0.000 0.288 107 L C 0.526 177.277 176.870 -0.198 0.000 1.035 107 L CA -0.180 54.519 54.840 -0.236 0.000 0.820 107 L CB 1.363 43.310 42.059 -0.188 0.000 1.204 107 L HN 0.763 nan 8.230 nan 0.000 0.424 108 A N 1.083 123.798 122.820 -0.175 0.000 3.129 108 A HA 0.289 4.608 4.320 -0.001 0.000 0.282 108 A C 0.921 178.443 177.584 -0.104 0.000 0.948 108 A CA -0.257 51.691 52.037 -0.149 0.000 1.027 108 A CB -0.170 18.733 19.000 -0.163 0.000 1.123 108 A HN 0.713 nan 8.150 nan 0.000 0.485 109 T N -2.872 111.627 114.554 -0.091 0.000 3.148 109 T HA 0.420 4.770 4.350 -0.001 0.000 0.253 109 T C 1.387 176.050 174.700 -0.062 0.000 1.134 109 T CA 0.919 62.981 62.100 -0.064 0.000 1.051 109 T CB -0.306 68.533 68.868 -0.048 0.000 0.959 109 T HN 1.917 nan 8.240 nan 0.000 0.525 110 G N 1.682 110.437 108.800 -0.075 0.000 2.574 110 G HA2 0.150 4.109 3.960 -0.001 0.000 0.282 110 G HA3 0.150 4.109 3.960 -0.001 0.000 0.282 110 G C -0.011 174.851 174.900 -0.064 0.000 1.257 110 G CA -0.015 45.041 45.100 -0.074 0.000 0.956 110 G HN 1.459 nan 8.290 nan 0.000 0.560 111 A N -1.403 121.381 122.820 -0.059 0.000 2.532 111 A HA 1.095 5.414 4.320 -0.001 0.000 0.290 111 A C 0.032 177.592 177.584 -0.041 0.000 1.143 111 A CA 0.450 52.456 52.037 -0.052 0.000 0.728 111 A CB 1.393 20.357 19.000 -0.059 0.000 1.317 111 A HN 2.649 nan 8.150 nan 0.000 0.414 112 A N 0.597 123.397 122.820 -0.034 0.000 2.401 112 A HA 0.869 5.189 4.320 -0.001 0.000 0.310 112 A C -3.066 174.504 177.584 -0.024 0.000 1.075 112 A CA -1.849 50.173 52.037 -0.024 0.000 0.746 112 A CB 1.023 20.013 19.000 -0.016 0.000 1.277 112 A HN 0.474 nan 8.150 nan 0.000 0.425 113 P HA 0.153 nan 4.420 nan 0.000 0.268 113 P C -0.359 176.932 177.300 -0.015 0.000 1.204 113 P CA -0.072 63.017 63.100 -0.018 0.000 0.768 113 P CB 0.385 32.080 31.700 -0.009 0.000 0.842 114 R N 2.654 123.143 120.500 -0.018 0.000 2.438 114 R HA 0.511 4.851 4.340 -0.001 0.000 0.287 114 R C -0.154 176.138 176.300 -0.013 0.000 1.077 114 R CA -0.347 55.743 56.100 -0.016 0.000 1.034 114 R CB 0.318 30.607 30.300 -0.018 0.000 0.993 114 R HN 0.533 nan 8.270 nan 0.000 0.459 115 A N 3.764 126.576 122.820 -0.012 0.000 2.264 115 A HA 0.385 4.704 4.320 -0.001 0.000 0.304 115 A C -1.118 176.458 177.584 -0.014 0.000 1.100 115 A CA -0.681 51.349 52.037 -0.012 0.000 0.839 115 A CB 0.932 19.925 19.000 -0.012 0.000 1.121 115 A HN 0.572 nan 8.150 nan 0.000 0.496 116 L N 2.490 123.703 121.223 -0.016 0.000 2.283 116 L HA 0.436 4.776 4.340 -0.001 0.000 0.281 116 L C -1.462 175.398 176.870 -0.017 0.000 1.033 116 L CA -1.915 52.916 54.840 -0.016 0.000 0.848 116 L CB 1.216 43.263 42.059 -0.019 0.000 1.226 116 L HN 0.489 nan 8.230 nan 0.000 0.429 117 P HA -0.174 nan 4.420 nan 0.000 0.216 117 P C 1.187 178.478 177.300 -0.014 0.000 1.150 117 P CA 1.631 64.723 63.100 -0.013 0.000 0.843 117 P CB -0.166 31.527 31.700 -0.010 0.000 0.787 118 T N -2.511 112.035 114.554 -0.014 0.000 2.977 118 T HA -0.055 4.295 4.350 -0.001 0.000 0.271 118 T C 1.657 176.346 174.700 -0.018 0.000 1.105 118 T CA 0.717 62.808 62.100 -0.014 0.000 1.116 118 T CB -0.897 67.963 68.868 -0.013 0.000 0.878 118 T HN 0.114 nan 8.240 nan 0.000 0.509 119 L N -0.009 121.201 121.223 -0.021 0.000 2.700 119 L HA 0.329 4.668 4.340 -0.001 0.000 0.234 119 L C 0.807 177.659 176.870 -0.029 0.000 1.156 119 L CA -0.338 54.486 54.840 -0.027 0.000 0.946 119 L CB -0.012 42.027 42.059 -0.033 0.000 1.216 119 L HN 0.195 nan 8.230 nan 0.000 0.493 120 Q N 0.932 120.718 119.800 -0.023 0.000 2.276 120 Q HA 0.298 4.638 4.340 -0.001 0.000 0.267 120 Q C 0.897 176.884 176.000 -0.022 0.000 1.135 120 Q CA 0.944 56.734 55.803 -0.022 0.000 0.910 120 Q CB 0.306 29.034 28.738 -0.017 0.000 1.271 120 Q HN 0.356 nan 8.270 nan 0.000 0.417 121 G N 2.327 111.112 108.800 -0.026 0.000 2.141 121 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.195 121 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.195 121 G C -0.004 174.881 174.900 -0.026 0.000 1.012 121 G CA -0.316 44.770 45.100 -0.023 0.000 0.696 121 G HN 0.872 nan 8.290 nan 0.000 0.508 122 A N 0.273 123.073 122.820 -0.033 0.000 2.425 122 A HA 0.707 5.026 4.320 -0.001 0.000 0.249 122 A C 1.689 179.252 177.584 -0.035 0.000 1.084 122 A CA 1.266 53.282 52.037 -0.035 0.000 0.781 122 A CB 0.417 19.390 19.000 -0.044 0.000 1.019 122 A HN 1.637 nan 8.150 nan 0.000 0.490 123 T N 0.624 115.161 114.554 -0.027 0.000 3.113 123 T HA 0.078 4.428 4.350 -0.001 0.000 0.263 123 T C 0.745 175.429 174.700 -0.027 0.000 1.143 123 T CA 0.994 63.080 62.100 -0.023 0.000 1.090 123 T CB -0.490 68.368 68.868 -0.016 0.000 0.922 123 T HN 0.737 nan 8.240 nan 0.000 0.521 124 M N 0.302 119.880 119.600 -0.035 0.000 2.705 124 M HA 0.681 5.161 4.480 -0.001 0.000 0.311 124 M C -3.271 172.984 176.300 -0.075 0.000 1.214 124 M CA -2.678 52.599 55.300 -0.038 0.000 0.920 124 M CB 0.639 33.222 32.600 -0.027 0.000 1.687 124 M HN -0.303 nan 8.290 nan 0.000 0.481 125 P HA 0.279 nan 4.420 nan 0.000 0.267 125 P C -1.019 176.074 177.300 -0.346 0.000 1.209 125 P CA -0.178 62.791 63.100 -0.217 0.000 0.763 125 P CB 0.403 32.059 31.700 -0.073 0.000 0.816 126 V N 5.319 124.956 119.914 -0.461 0.000 2.407 126 V HA 0.320 4.440 4.120 -0.001 0.000 0.291 126 V C 0.058 175.887 176.094 -0.442 0.000 1.018 126 V CA -0.499 61.599 62.300 -0.337 0.000 0.842 126 V CB 0.843 32.568 31.823 -0.162 0.000 0.996 126 V HN 0.616 nan 8.190 nan 0.000 0.426 127 H N 2.068 121.134 119.070 -0.007 0.000 2.771 127 H HA 0.745 5.301 4.556 -0.001 0.000 0.367 127 H C -0.212 175.110 175.328 -0.009 0.000 1.172 127 H CA -0.586 55.459 56.048 -0.006 0.000 1.186 127 H CB 2.520 32.280 29.762 -0.003 0.000 1.790 127 H HN 0.641 nan 8.280 nan 0.000 0.556 128 T N -0.693 113.940 114.554 0.132 0.000 2.930 128 T HA 0.481 4.830 4.350 -0.001 0.000 0.290 128 T C -0.519 174.213 174.700 0.053 0.000 1.052 128 T CA -1.002 61.135 62.100 0.061 0.000 1.017 128 T CB 1.769 70.655 68.868 0.031 0.000 1.137 128 T HN 0.231 nan 8.240 nan 0.000 0.511 129 L N 1.269 122.505 121.223 0.022 0.000 2.353 129 L HA 0.761 5.100 4.340 -0.001 0.000 0.270 129 L C 0.354 177.224 176.870 -0.001 0.000 1.003 129 L CA -0.377 54.468 54.840 0.008 0.000 0.862 129 L CB 1.294 43.354 42.059 0.001 0.000 1.221 129 L HN 0.827 nan 8.230 nan 0.000 0.430 130 R N 1.620 122.123 120.500 0.005 0.000 2.840 130 R HA 0.326 4.666 4.340 -0.001 0.000 0.173 130 R C 0.194 176.517 176.300 0.039 0.000 0.791 130 R CA 1.074 57.179 56.100 0.009 0.000 1.069 130 R CB 0.279 30.582 30.300 0.005 0.000 1.537 130 R HN 0.629 nan 8.270 nan 0.000 0.609 131 T N -1.503 113.077 114.554 0.045 0.000 2.937 131 T HA 0.254 4.604 4.350 -0.001 0.000 0.283 131 T C 1.027 175.714 174.700 -0.022 0.000 1.012 131 T CA -0.530 61.628 62.100 0.097 0.000 0.997 131 T CB 1.051 69.973 68.868 0.089 0.000 1.136 131 T HN 0.023 nan 8.240 nan 0.000 0.551 132 L N 0.479 121.617 121.223 -0.141 0.000 2.083 132 L HA 0.039 4.378 4.340 -0.001 0.000 0.209 132 L C 2.563 179.287 176.870 -0.244 0.000 1.083 132 L CA 1.929 56.493 54.840 -0.460 0.000 0.752 132 L CB -1.224 40.321 42.059 -0.857 0.000 0.899 132 L HN 0.969 nan 8.230 nan 0.000 0.433 133 E N -0.838 119.285 120.200 -0.130 0.000 2.077 133 E HA -0.236 4.113 4.350 -0.001 0.000 0.193 133 E C 1.676 178.244 176.600 -0.052 0.000 0.989 133 E CA 1.404 57.764 56.400 -0.065 0.000 0.800 133 E CB 0.033 29.717 29.700 -0.026 0.000 0.746 133 E HN 0.549 nan 8.360 nan 0.000 0.452 134 D N 0.261 120.635 120.400 -0.044 0.000 2.104 134 D HA -0.168 4.471 4.640 -0.001 0.000 0.194 134 D C 1.837 178.092 176.300 -0.076 0.000 0.994 134 D CA 1.362 55.335 54.000 -0.046 0.000 0.830 134 D CB -0.365 40.426 40.800 -0.014 0.000 0.959 134 D HN 0.267 nan 8.370 nan 0.000 0.452 135 A N 1.081 123.862 122.820 -0.066 0.000 1.908 135 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 135 A C 2.226 179.865 177.584 0.091 0.000 1.181 135 A CA 1.480 53.512 52.037 -0.008 0.000 0.627 135 A CB -0.485 18.442 19.000 -0.122 0.000 0.818 135 A HN 0.119 nan 8.150 nan 0.000 0.445 136 R N -1.081 119.467 120.500 0.080 0.000 2.081 136 R HA -0.070 4.270 4.340 -0.001 0.000 0.235 136 R C 2.522 178.816 176.300 -0.010 0.000 1.131 136 R CA 1.628 57.790 56.100 0.102 0.000 0.960 136 R CB -0.247 30.098 30.300 0.075 0.000 0.856 136 R HN 0.475 nan 8.270 nan 0.000 0.436 137 R N 0.273 120.724 120.500 -0.081 0.000 2.073 137 R HA -0.063 4.276 4.340 -0.001 0.000 0.234 137 R C 2.227 178.363 176.300 -0.272 0.000 1.134 137 R CA 1.439 57.434 56.100 -0.175 0.000 0.952 137 R CB -0.249 29.899 30.300 -0.253 0.000 0.850 137 R HN 0.199 nan 8.270 nan 0.000 0.433 138 I N 0.412 120.806 120.570 -0.295 0.000 2.202 138 I HA -0.310 3.859 4.170 -0.001 0.000 0.242 138 I C 2.737 178.795 176.117 -0.099 0.000 1.091 138 I CA 1.276 62.437 61.300 -0.233 0.000 1.368 138 I CB -0.356 37.560 38.000 -0.139 0.000 1.058 138 I HN 0.315 nan 8.210 nan 0.000 0.410 139 Q N 1.377 121.146 119.800 -0.051 0.000 2.135 139 Q HA -0.251 4.088 4.340 -0.001 0.000 0.204 139 Q C 2.223 178.190 176.000 -0.054 0.000 0.981 139 Q CA 1.972 57.750 55.803 -0.041 0.000 0.856 139 Q CB -0.106 28.611 28.738 -0.034 0.000 0.902 139 Q HN 0.549 nan 8.270 nan 0.000 0.425 140 A N 0.137 122.924 122.820 -0.054 0.000 2.015 140 A HA -0.031 4.288 4.320 -0.001 0.000 0.219 140 A C 2.100 179.664 177.584 -0.033 0.000 1.163 140 A CA 1.329 53.340 52.037 -0.043 0.000 0.646 140 A CB -0.700 18.278 19.000 -0.036 0.000 0.806 140 A HN 0.569 nan 8.150 nan 0.000 0.448 141 G N -1.059 107.720 108.800 -0.034 0.000 2.880 141 G HA2 0.258 4.218 3.960 -0.001 0.000 0.209 141 G HA3 0.258 4.218 3.960 -0.001 0.000 0.209 141 G C 0.667 175.558 174.900 -0.015 0.000 1.157 141 G CA -0.220 44.875 45.100 -0.008 0.000 0.779 141 G HN 0.387 nan 8.290 nan 0.000 0.539 142 L N 2.067 123.272 121.223 -0.029 0.000 2.511 142 L HA 0.245 4.585 4.340 -0.001 0.000 0.239 142 L C 0.374 177.218 176.870 -0.043 0.000 1.400 142 L CA -0.204 54.616 54.840 -0.034 0.000 1.226 142 L CB -0.361 41.676 42.059 -0.037 0.000 1.475 142 L HN 0.141 nan 8.230 nan 0.000 0.428 143 R N 1.111 121.585 120.500 -0.042 0.000 2.457 143 R HA 0.394 4.734 4.340 -0.001 0.000 0.284 143 R C -2.361 173.896 176.300 -0.072 0.000 1.024 143 R CA -1.956 54.115 56.100 -0.048 0.000 1.025 143 R CB 0.211 30.490 30.300 -0.035 0.000 1.063 143 R HN 0.034 nan 8.270 nan 0.000 0.493 144 P HA -0.018 nan 4.420 nan 0.000 0.268 144 P C -0.413 176.802 177.300 -0.142 0.000 1.205 144 P CA 0.163 63.194 63.100 -0.116 0.000 0.771 144 P CB 0.763 32.414 31.700 -0.082 0.000 0.858 145 Q N -0.862 118.772 119.800 -0.275 0.000 2.342 145 Q HA -0.178 4.161 4.340 -0.001 0.000 0.196 145 Q C 0.027 175.935 176.000 -0.153 0.000 0.629 145 Q CA 1.612 57.252 55.803 -0.273 0.000 1.365 145 Q CB -2.199 26.500 28.738 -0.065 0.000 1.406 145 Q HN 0.667 nan 8.270 nan 0.000 0.840 146 S N -0.516 115.104 115.700 -0.133 0.000 2.632 146 S HA 0.639 5.108 4.470 -0.001 0.000 0.267 146 S C -0.018 174.578 174.600 -0.007 0.000 1.276 146 S CA -0.736 57.442 58.200 -0.037 0.000 0.998 146 S CB 1.494 64.677 63.200 -0.030 0.000 0.953 146 S HN 0.291 nan 8.310 nan 0.000 0.547 147 R N 0.653 121.181 120.500 0.046 0.000 2.265 147 R HA 0.494 4.834 4.340 -0.001 0.000 0.328 147 R C -1.200 175.123 176.300 0.038 0.000 0.969 147 R CA -0.676 55.468 56.100 0.073 0.000 0.832 147 R CB 1.115 31.461 30.300 0.077 0.000 1.139 147 R HN 0.591 nan 8.270 nan 0.000 0.457 148 L N 4.516 125.760 121.223 0.034 0.000 2.307 148 L HA 0.450 4.789 4.340 -0.001 0.000 0.284 148 L C -1.373 175.505 176.870 0.013 0.000 1.023 148 L CA -0.812 54.041 54.840 0.021 0.000 0.810 148 L CB 1.387 43.455 42.059 0.015 0.000 1.231 148 L HN 0.474 nan 8.230 nan 0.000 0.423 149 L N 6.506 127.732 121.223 0.005 0.000 2.313 149 L HA 0.632 4.971 4.340 -0.001 0.000 0.283 149 L C -1.086 175.775 176.870 -0.016 0.000 1.013 149 L CA -0.048 54.785 54.840 -0.011 0.000 0.816 149 L CB 1.208 43.258 42.059 -0.015 0.000 1.236 149 L HN 0.580 nan 8.230 nan 0.000 0.419 150 I N 5.820 126.370 120.570 -0.033 0.000 2.362 150 I HA 0.366 4.536 4.170 -0.001 0.000 0.289 150 I C -0.745 175.341 176.117 -0.052 0.000 0.994 150 I CA -0.898 60.380 61.300 -0.037 0.000 1.158 150 I CB 1.884 39.855 38.000 -0.048 0.000 1.315 150 I HN 0.268 nan 8.210 nan 0.000 0.451 151 V N 5.485 125.374 119.914 -0.040 0.000 2.333 151 V HA 0.783 4.902 4.120 -0.001 0.000 0.274 151 V C 0.449 176.518 176.094 -0.042 0.000 1.028 151 V CA -0.410 61.864 62.300 -0.044 0.000 0.851 151 V CB 0.582 32.386 31.823 -0.032 0.000 1.000 151 V HN 1.056 nan 8.190 nan 0.000 0.456 152 G N 3.388 112.157 108.800 -0.052 0.000 3.400 152 G HA2 0.187 4.147 3.960 -0.001 0.000 0.679 152 G HA3 0.187 4.147 3.960 -0.001 0.000 0.679 152 G C 0.124 174.994 174.900 -0.051 0.000 1.239 152 G CA -0.508 44.568 45.100 -0.041 0.000 1.049 152 G HN 1.146 nan 8.290 nan 0.000 0.539 153 G N 0.642 109.422 108.800 -0.034 0.000 3.496 153 G HA2 0.616 4.576 3.960 -0.001 0.000 0.273 153 G HA3 0.616 4.576 3.960 -0.001 0.000 0.273 153 G C 0.929 175.829 174.900 -0.001 0.000 1.279 153 G CA 0.896 45.980 45.100 -0.026 0.000 1.041 153 G HN 1.243 nan 8.290 nan 0.000 0.539 154 G N -0.653 108.135 108.800 -0.019 0.000 2.580 154 G HA2 0.364 4.323 3.960 -0.001 0.000 0.278 154 G HA3 0.364 4.323 3.960 -0.001 0.000 0.278 154 G C 1.436 176.320 174.900 -0.026 0.000 1.212 154 G CA 0.197 45.285 45.100 -0.021 0.000 0.939 154 G HN 0.504 nan 8.290 nan 0.000 0.513 155 V N -0.707 119.188 119.914 -0.032 0.000 2.282 155 V HA -0.232 3.887 4.120 -0.001 0.000 0.249 155 V C 2.570 178.642 176.094 -0.036 0.000 1.057 155 V CA 1.991 64.281 62.300 -0.017 0.000 1.032 155 V CB -0.983 30.819 31.823 -0.035 0.000 0.645 155 V HN 0.609 nan 8.190 nan 0.000 0.447 156 I N 1.732 122.264 120.570 -0.063 0.000 2.286 156 I HA -0.071 4.098 4.170 -0.001 0.000 0.248 156 I C 2.781 178.876 176.117 -0.036 0.000 1.115 156 I CA 1.692 62.960 61.300 -0.053 0.000 1.392 156 I CB -0.981 36.981 38.000 -0.062 0.000 1.065 156 I HN 0.452 nan 8.210 nan 0.000 0.418 157 G N 0.885 109.659 108.800 -0.044 0.000 2.402 157 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.216 157 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.216 157 G C 1.693 176.552 174.900 -0.069 0.000 1.162 157 G CA 0.414 45.484 45.100 -0.050 0.000 0.777 157 G HN 0.267 nan 8.290 nan 0.000 0.539 158 L N -0.010 121.163 121.223 -0.083 0.000 2.141 158 L HA 0.002 4.341 4.340 -0.001 0.000 0.209 158 L C 2.806 179.675 176.870 -0.001 0.000 1.094 158 L CA 0.975 55.725 54.840 -0.149 0.000 0.763 158 L CB -0.331 41.658 42.059 -0.116 0.000 0.908 158 L HN 0.267 nan 8.230 nan 0.000 0.437 159 E N -0.011 120.210 120.200 0.033 0.000 2.106 159 E HA -0.227 4.122 4.350 -0.001 0.000 0.192 159 E C 2.076 178.712 176.600 0.061 0.000 0.984 159 E CA 0.881 57.323 56.400 0.070 0.000 0.806 159 E CB -0.033 29.686 29.700 0.033 0.000 0.750 159 E HN 0.253 nan 8.360 nan 0.000 0.458 160 L N 0.668 121.906 121.223 0.025 0.000 2.156 160 L HA -0.002 4.337 4.340 -0.001 0.000 0.208 160 L C 2.106 178.993 176.870 0.027 0.000 1.095 160 L CA 1.558 56.410 54.840 0.021 0.000 0.770 160 L CB -0.412 41.649 42.059 0.004 0.000 0.914 160 L HN -0.006 nan 8.230 nan 0.000 0.439 161 A N -0.161 122.666 122.820 0.013 0.000 1.877 161 A HA -0.122 4.197 4.320 -0.001 0.000 0.216 161 A C 2.476 180.126 177.584 0.110 0.000 1.186 161 A CA 1.913 53.962 52.037 0.020 0.000 0.620 161 A CB -1.245 17.703 19.000 -0.087 0.000 0.822 161 A HN 0.553 nan 8.150 nan 0.000 0.443 162 A N -1.185 121.757 122.820 0.204 0.000 1.877 162 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 162 A C 2.330 179.985 177.584 0.118 0.000 1.186 162 A CA 2.410 54.585 52.037 0.231 0.000 0.620 162 A CB -1.387 17.791 19.000 0.296 0.000 0.822 162 A HN 0.431 nan 8.150 nan 0.000 0.443 163 T N 0.198 114.804 114.554 0.087 0.000 2.684 163 T HA -0.064 4.285 4.350 -0.001 0.000 0.267 163 T C 2.225 176.940 174.700 0.025 0.000 1.036 163 T CA 1.817 63.944 62.100 0.047 0.000 1.148 163 T CB -0.486 68.402 68.868 0.033 0.000 0.863 163 T HN 0.613 nan 8.240 nan 0.000 0.436 164 A N 1.774 124.608 122.820 0.023 0.000 1.902 164 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 164 A C 2.392 179.976 177.584 -0.000 0.000 1.181 164 A CA 1.155 53.194 52.037 0.004 0.000 0.623 164 A CB -0.403 18.599 19.000 0.004 0.000 0.818 164 A HN 0.267 nan 8.150 nan 0.000 0.443 165 R N -0.742 119.772 120.500 0.023 0.000 2.096 165 R HA -0.096 4.243 4.340 -0.001 0.000 0.235 165 R C 2.113 178.416 176.300 0.004 0.000 1.127 165 R CA 1.788 57.899 56.100 0.018 0.000 0.968 165 R CB -1.211 29.112 30.300 0.039 0.000 0.861 165 R HN 0.530 nan 8.270 nan 0.000 0.440 166 T N 0.898 115.460 114.554 0.012 0.000 2.881 166 T HA -0.053 4.297 4.350 -0.001 0.000 0.270 166 T C 1.481 176.174 174.700 -0.012 0.000 1.068 166 T CA 1.300 63.403 62.100 0.006 0.000 1.131 166 T CB -0.051 68.827 68.868 0.017 0.000 0.871 166 T HN 0.335 nan 8.240 nan 0.000 0.479 167 A N 0.258 123.065 122.820 -0.022 0.000 2.302 167 A HA 0.534 4.853 4.320 -0.001 0.000 0.219 167 A C 1.694 179.245 177.584 -0.056 0.000 1.243 167 A CA 0.554 52.568 52.037 -0.037 0.000 0.856 167 A CB -0.769 18.206 19.000 -0.041 0.000 0.893 167 A HN 0.635 nan 8.150 nan 0.000 0.491 168 G N -1.056 107.709 108.800 -0.058 0.000 2.176 168 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.252 168 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.252 168 G C 0.093 174.879 174.900 -0.191 0.000 1.024 168 G CA 0.260 45.303 45.100 -0.095 0.000 0.755 168 G HN 0.775 nan 8.290 nan 0.000 0.507 169 V N 0.099 119.922 119.914 -0.152 0.000 2.644 169 V HA 0.450 4.570 4.120 -0.001 0.000 0.295 169 V C 0.641 176.639 176.094 -0.160 0.000 1.053 169 V CA -0.824 61.358 62.300 -0.196 0.000 0.987 169 V CB 1.355 33.126 31.823 -0.087 0.000 1.006 169 V HN 0.419 nan 8.190 nan 0.000 0.472 170 H N 1.752 120.818 119.070 -0.007 0.000 2.668 170 H HA 0.525 5.080 4.556 -0.001 0.000 0.303 170 H C -0.515 174.806 175.328 -0.011 0.000 1.074 170 H CA -0.564 55.478 56.048 -0.010 0.000 1.406 170 H CB 1.202 30.958 29.762 -0.011 0.000 1.442 170 H HN 0.419 nan 8.280 nan 0.000 0.482 171 V N 3.227 123.204 119.914 0.104 0.000 2.459 171 V HA 0.331 4.450 4.120 -0.001 0.000 0.295 171 V C -0.055 176.047 176.094 0.014 0.000 1.029 171 V CA -0.648 61.678 62.300 0.042 0.000 0.874 171 V CB 1.802 33.640 31.823 0.025 0.000 0.985 171 V HN 0.738 nan 8.190 nan 0.000 0.438 172 S N 4.435 120.129 115.700 -0.009 0.000 2.500 172 S HA 0.774 5.243 4.470 -0.001 0.000 0.301 172 S C -0.847 173.713 174.600 -0.066 0.000 1.092 172 S CA -0.482 57.694 58.200 -0.039 0.000 1.030 172 S CB 1.711 64.891 63.200 -0.033 0.000 1.031 172 S HN 0.663 nan 8.310 nan 0.000 0.483 173 L N 3.656 124.813 121.223 -0.110 0.000 2.376 173 L HA 0.712 5.052 4.340 -0.001 0.000 0.275 173 L C -1.511 175.242 176.870 -0.193 0.000 0.987 173 L CA -0.543 54.210 54.840 -0.145 0.000 0.828 173 L CB 1.326 43.278 42.059 -0.179 0.000 1.249 173 L HN 0.444 nan 8.230 nan 0.000 0.409 174 V N 3.663 123.486 119.914 -0.152 0.000 2.417 174 V HA 0.561 4.681 4.120 -0.001 0.000 0.291 174 V C -0.607 175.405 176.094 -0.137 0.000 1.024 174 V CA -0.470 61.739 62.300 -0.151 0.000 0.861 174 V CB 1.730 33.499 31.823 -0.089 0.000 0.985 174 V HN 0.746 nan 8.190 nan 0.000 0.436 175 E N 2.554 122.661 120.200 -0.155 0.000 2.256 175 E HA 0.428 4.778 4.350 -0.001 0.000 0.268 175 E C 0.463 177.075 176.600 0.022 0.000 0.877 175 E CA -0.403 55.960 56.400 -0.061 0.000 0.757 175 E CB 2.204 31.871 29.700 -0.056 0.000 1.183 175 E HN 0.536 nan 8.360 nan 0.000 0.418 176 T N 2.607 117.182 114.554 0.035 0.000 2.867 176 T HA -0.027 4.323 4.350 -0.001 0.000 0.268 176 T C 0.388 175.140 174.700 0.086 0.000 1.057 176 T CA 0.772 62.902 62.100 0.049 0.000 1.136 176 T CB 0.001 68.887 68.868 0.030 0.000 0.874 176 T HN 0.321 nan 8.240 nan 0.000 0.466 177 Q N 0.749 120.616 119.800 0.111 0.000 2.317 177 Q HA 0.206 4.545 4.340 -0.001 0.000 0.229 177 Q C -1.885 174.233 176.000 0.196 0.000 0.984 177 Q CA -2.377 53.498 55.803 0.121 0.000 0.911 177 Q CB 0.321 29.121 28.738 0.103 0.000 1.217 177 Q HN 0.091 nan 8.270 nan 0.000 0.501 178 P HA 0.008 nan 4.420 nan 0.000 0.245 178 P C -0.596 176.553 177.300 -0.252 0.000 1.212 178 P CA 0.675 63.769 63.100 -0.009 0.000 0.774 178 P CB 0.428 32.100 31.700 -0.047 0.000 0.999 179 R N -1.946 118.532 120.500 -0.035 0.000 2.764 179 R HA 0.592 4.931 4.340 -0.001 0.000 0.270 179 R C -0.854 175.585 176.300 0.232 0.000 1.014 179 R CA -1.083 54.975 56.100 -0.070 0.000 0.904 179 R CB 0.662 30.927 30.300 -0.059 0.000 1.236 179 R HN -0.216 nan 8.270 nan 0.000 0.466 180 L N 1.803 123.192 121.223 0.276 0.000 2.456 180 L HA 0.330 4.670 4.340 -0.001 0.000 0.257 180 L C 0.593 177.553 176.870 0.150 0.000 1.162 180 L CA -0.770 54.218 54.840 0.246 0.000 0.808 180 L CB 0.393 42.601 42.059 0.248 0.000 1.136 180 L HN 0.776 nan 8.230 nan 0.000 0.466 181 M N -0.024 119.644 119.600 0.114 0.000 2.105 181 M HA -0.256 4.224 4.480 -0.001 0.000 0.193 181 M C 1.403 177.756 176.300 0.089 0.000 0.319 181 M CA 0.672 56.027 55.300 0.091 0.000 0.376 181 M CB -1.703 30.970 32.600 0.121 0.000 1.023 181 M HN 0.819 nan 8.290 nan 0.000 0.946 182 S N 0.203 115.950 115.700 0.079 0.000 2.420 182 S HA -0.228 4.241 4.470 -0.001 0.000 0.237 182 S C 1.671 176.306 174.600 0.057 0.000 1.023 182 S CA 1.520 59.761 58.200 0.068 0.000 0.991 182 S CB -0.326 62.911 63.200 0.061 0.000 0.792 182 S HN 0.855 nan 8.310 nan 0.000 0.488 183 R N 1.764 122.291 120.500 0.045 0.000 2.057 183 R HA 0.248 4.588 4.340 -0.001 0.000 0.224 183 R C 2.189 178.521 176.300 0.053 0.000 1.136 183 R CA 1.066 57.187 56.100 0.035 0.000 0.968 183 R CB -0.722 29.582 30.300 0.006 0.000 0.863 183 R HN 0.412 nan 8.270 nan 0.000 0.433 184 A N 0.510 123.363 122.820 0.055 0.000 2.251 184 A HA 0.452 4.771 4.320 -0.001 0.000 0.209 184 A C 0.517 178.245 177.584 0.240 0.000 1.187 184 A CA 0.401 52.509 52.037 0.120 0.000 0.823 184 A CB 0.033 19.021 19.000 -0.020 0.000 0.846 184 A HN 0.511 nan 8.150 nan 0.000 0.486 185 A N -0.069 122.860 122.820 0.183 0.000 2.469 185 A HA 0.739 5.059 4.320 -0.001 0.000 0.299 185 A C -3.156 174.510 177.584 0.137 0.000 1.098 185 A CA -1.879 50.269 52.037 0.185 0.000 0.737 185 A CB 0.818 19.937 19.000 0.199 0.000 1.312 185 A HN 0.048 nan 8.150 nan 0.000 0.414 186 P HA 0.321 nan 4.420 nan 0.000 0.271 186 P C 0.880 178.244 177.300 0.106 0.000 1.218 186 P CA 0.415 63.578 63.100 0.107 0.000 0.780 186 P CB 0.964 32.727 31.700 0.106 0.000 0.901 187 A N 2.590 125.459 122.820 0.081 0.000 1.917 187 A HA -0.199 4.120 4.320 -0.001 0.000 0.219 187 A C 2.041 179.676 177.584 0.085 0.000 1.182 187 A CA 2.438 54.517 52.037 0.069 0.000 0.633 187 A CB -1.992 17.033 19.000 0.042 0.000 0.819 187 A HN 0.555 nan 8.150 nan 0.000 0.448 188 T N -0.099 114.507 114.554 0.085 0.000 2.699 188 T HA -0.175 4.175 4.350 -0.001 0.000 0.268 188 T C 1.814 176.613 174.700 0.165 0.000 1.036 188 T CA 1.646 63.799 62.100 0.089 0.000 1.147 188 T CB -0.359 68.545 68.868 0.061 0.000 0.862 188 T HN 0.356 nan 8.240 nan 0.000 0.446 189 L N 1.208 122.554 121.223 0.205 0.000 2.027 189 L HA 0.156 4.495 4.340 -0.001 0.000 0.206 189 L C 2.627 179.672 176.870 0.290 0.000 1.074 189 L CA 1.830 56.846 54.840 0.292 0.000 0.745 189 L CB -0.971 41.226 42.059 0.230 0.000 0.898 189 L HN 0.210 nan 8.230 nan 0.000 0.433 190 A N -0.878 122.064 122.820 0.204 0.000 1.940 190 A HA -0.227 4.092 4.320 -0.001 0.000 0.219 190 A C 1.987 179.674 177.584 0.171 0.000 1.176 190 A CA 1.953 54.098 52.037 0.180 0.000 0.631 190 A CB -0.791 18.285 19.000 0.127 0.000 0.814 190 A HN 0.534 nan 8.150 nan 0.000 0.446 191 D N -1.286 119.204 120.400 0.150 0.000 2.117 191 D HA -0.095 4.545 4.640 -0.001 0.000 0.198 191 D C 1.603 178.012 176.300 0.181 0.000 0.982 191 D CA 1.147 55.217 54.000 0.116 0.000 0.828 191 D CB -0.409 40.440 40.800 0.082 0.000 0.967 191 D HN 0.469 nan 8.370 nan 0.000 0.464 192 F N 1.182 121.196 119.950 0.106 0.000 2.146 192 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 192 F C 2.105 178.030 175.800 0.209 0.000 1.096 192 F CA 0.909 58.991 58.000 0.137 0.000 1.275 192 F CB -0.249 38.849 39.000 0.164 0.000 1.008 192 F HN -0.223 nan 8.300 nan 0.000 0.480 193 V N 0.541 120.584 119.914 0.215 0.000 2.343 193 V HA -0.288 3.831 4.120 -0.001 0.000 0.247 193 V C 2.749 178.992 176.094 0.249 0.000 1.051 193 V CA 1.733 64.148 62.300 0.191 0.000 1.036 193 V CB -1.440 30.561 31.823 0.295 0.000 0.654 193 V HN 0.490 nan 8.190 nan 0.000 0.451 194 A N -0.152 122.804 122.820 0.227 0.000 1.877 194 A HA -0.249 4.070 4.320 -0.001 0.000 0.216 194 A C 2.350 180.033 177.584 0.165 0.000 1.186 194 A CA 1.981 54.176 52.037 0.263 0.000 0.620 194 A CB -0.517 18.651 19.000 0.281 0.000 0.822 194 A HN 0.486 nan 8.150 nan 0.000 0.443 195 R N -2.204 118.331 120.500 0.059 0.000 2.081 195 R HA -0.158 4.182 4.340 -0.001 0.000 0.235 195 R C 2.148 178.397 176.300 -0.085 0.000 1.131 195 R CA 1.769 57.860 56.100 -0.016 0.000 0.960 195 R CB -0.516 29.757 30.300 -0.045 0.000 0.856 195 R HN 0.732 nan 8.270 nan 0.000 0.436 196 Y N 0.329 120.438 120.300 -0.318 0.000 2.145 196 Y HA -0.255 4.295 4.550 -0.001 0.000 0.286 196 Y C 1.913 177.667 175.900 -0.242 0.000 1.145 196 Y CA 1.931 59.809 58.100 -0.371 0.000 1.148 196 Y CB -0.248 37.875 38.460 -0.562 0.000 0.981 196 Y HN 0.143 nan 8.280 nan 0.000 0.507 197 H N -0.673 118.350 119.070 -0.079 0.000 2.428 197 H HA 0.014 4.569 4.556 -0.001 0.000 0.296 197 H C 2.282 177.528 175.328 -0.136 0.000 1.062 197 H CA 1.176 57.152 56.048 -0.120 0.000 1.350 197 H CB -0.208 29.577 29.762 0.039 0.000 1.403 197 H HN 0.471 nan 8.280 nan 0.000 0.533 198 A N 0.825 123.661 122.820 0.028 0.000 1.902 198 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 198 A C 2.438 179.981 177.584 -0.068 0.000 1.181 198 A CA 1.520 53.559 52.037 0.003 0.000 0.623 198 A CB -1.024 17.995 19.000 0.032 0.000 0.818 198 A HN 0.464 nan 8.150 nan 0.000 0.443 199 A N -1.604 121.135 122.820 -0.136 0.000 2.172 199 A HA -0.068 4.252 4.320 -0.001 0.000 0.216 199 A C 1.884 179.338 177.584 -0.217 0.000 1.154 199 A CA 1.351 53.290 52.037 -0.164 0.000 0.701 199 A CB -0.232 18.658 19.000 -0.183 0.000 0.789 199 A HN 0.455 nan 8.150 nan 0.000 0.465 200 Q N -1.710 117.919 119.800 -0.284 0.000 2.392 200 Q HA 0.195 4.535 4.340 -0.001 0.000 0.203 200 Q C 1.233 177.168 176.000 -0.109 0.000 0.917 200 Q CA 0.825 56.472 55.803 -0.260 0.000 0.939 200 Q CB 0.423 28.931 28.738 -0.383 0.000 1.063 200 Q HN 0.947 nan 8.270 nan 0.000 0.516 201 G N -0.160 108.597 108.800 -0.072 0.000 2.184 201 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.206 201 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.206 201 G C 0.100 174.999 174.900 -0.000 0.000 0.995 201 G CA 0.076 45.160 45.100 -0.025 0.000 0.651 201 G HN 0.173 nan 8.290 nan 0.000 0.511 202 V N 1.663 121.583 119.914 0.010 0.000 2.572 202 V HA 0.363 4.482 4.120 -0.001 0.000 0.291 202 V C 0.502 176.592 176.094 -0.007 0.000 1.039 202 V CA 0.148 62.460 62.300 0.020 0.000 1.055 202 V CB 1.598 33.455 31.823 0.058 0.000 0.969 202 V HN 0.342 nan 8.190 nan 0.000 0.482 203 D N 5.454 125.840 120.400 -0.024 0.000 2.453 203 D HA 0.280 4.920 4.640 -0.001 0.000 0.223 203 D C -0.271 175.979 176.300 -0.084 0.000 1.183 203 D CA -0.061 53.914 54.000 -0.041 0.000 0.933 203 D CB 0.140 40.917 40.800 -0.039 0.000 1.038 203 D HN 0.395 nan 8.370 nan 0.000 0.513 204 L N 4.140 125.302 121.223 -0.102 0.000 2.326 204 L HA 0.497 4.837 4.340 -0.001 0.000 0.278 204 L C 0.650 177.356 176.870 -0.274 0.000 1.092 204 L CA -0.644 54.047 54.840 -0.248 0.000 0.810 204 L CB 0.935 42.838 42.059 -0.261 0.000 1.153 204 L HN 0.064 nan 8.230 nan 0.000 0.439 205 R N 3.657 123.909 120.500 -0.414 0.000 2.500 205 R HA 0.443 4.783 4.340 -0.001 0.000 0.299 205 R C -1.298 174.792 176.300 -0.349 0.000 1.038 205 R CA -0.485 55.462 56.100 -0.254 0.000 0.903 205 R CB 1.268 31.488 30.300 -0.133 0.000 1.177 205 R HN 0.315 nan 8.270 nan 0.000 0.455 206 F N 0.873 120.824 119.950 0.002 0.000 2.399 206 F HA 0.237 4.763 4.527 -0.001 0.000 0.328 206 F C 1.127 176.929 175.800 0.004 0.000 1.084 206 F CA -0.454 57.548 58.000 0.004 0.000 1.053 206 F CB 0.929 39.935 39.000 0.009 0.000 1.209 206 F HN 0.538 nan 8.300 nan 0.000 0.502 207 E N 0.056 120.379 120.200 0.205 0.000 2.637 207 E HA -0.219 4.130 4.350 -0.001 0.000 0.265 207 E C -0.566 176.071 176.600 0.063 0.000 1.073 207 E CA 0.141 56.609 56.400 0.113 0.000 0.778 207 E CB -0.936 28.826 29.700 0.104 0.000 1.362 207 E HN 0.344 nan 8.360 nan 0.000 0.413 208 R N 0.240 120.763 120.500 0.038 0.000 2.637 208 R HA 0.581 4.920 4.340 -0.001 0.000 0.291 208 R C -0.317 175.983 176.300 -0.000 0.000 0.963 208 R CA -0.627 55.479 56.100 0.010 0.000 0.901 208 R CB 2.102 32.395 30.300 -0.012 0.000 1.160 208 R HN -0.076 nan 8.270 nan 0.000 0.457 209 S N 0.492 116.191 115.700 -0.001 0.000 2.566 209 S HA 0.446 4.916 4.470 -0.001 0.000 0.298 209 S C -0.386 174.208 174.600 -0.010 0.000 1.083 209 S CA -0.752 57.445 58.200 -0.005 0.000 0.978 209 S CB 2.430 65.630 63.200 0.001 0.000 1.073 209 S HN 0.240 nan 8.310 nan 0.000 0.491 210 V N 2.822 122.728 119.914 -0.014 0.000 2.461 210 V HA 0.259 4.378 4.120 -0.001 0.000 0.275 210 V C 1.411 177.498 176.094 -0.012 0.000 1.047 210 V CA -0.014 62.277 62.300 -0.015 0.000 0.955 210 V CB 0.821 32.632 31.823 -0.019 0.000 0.988 210 V HN 1.169 nan 8.190 nan 0.000 0.471 211 T N 0.693 115.240 114.554 -0.011 0.000 3.015 211 T HA 0.524 4.874 4.350 -0.001 0.000 0.250 211 T C 0.723 175.417 174.700 -0.010 0.000 1.057 211 T CA 0.495 62.590 62.100 -0.009 0.000 1.066 211 T CB 0.675 69.539 68.868 -0.007 0.000 0.959 211 T HN 1.117 nan 8.240 nan 0.000 0.488 212 G N 0.086 108.878 108.800 -0.012 0.000 2.335 212 G HA2 0.467 4.427 3.960 -0.001 0.000 0.291 212 G HA3 0.467 4.427 3.960 -0.001 0.000 0.291 212 G C -1.750 173.141 174.900 -0.015 0.000 1.261 212 G CA -0.072 45.020 45.100 -0.013 0.000 0.871 212 G HN 0.574 nan 8.290 nan 0.000 0.491 213 S N -1.746 113.946 115.700 -0.015 0.000 2.537 213 S HA 0.717 5.187 4.470 -0.001 0.000 0.270 213 S C -1.666 172.926 174.600 -0.014 0.000 1.142 213 S CA -0.336 57.854 58.200 -0.016 0.000 0.870 213 S CB 1.854 65.042 63.200 -0.020 0.000 1.112 213 S HN 1.495 nan 8.310 nan 0.000 0.466 214 V N 3.347 123.254 119.914 -0.012 0.000 2.668 214 V HA 0.447 4.566 4.120 -0.001 0.000 0.304 214 V C -0.592 175.496 176.094 -0.010 0.000 1.071 214 V CA -0.681 61.612 62.300 -0.010 0.000 0.894 214 V CB 1.560 33.378 31.823 -0.009 0.000 1.008 214 V HN 1.099 nan 8.190 nan 0.000 0.425 215 D N 3.925 124.320 120.400 -0.010 0.000 2.755 215 D HA -0.154 4.485 4.640 -0.001 0.000 0.227 215 D C 1.220 177.515 176.300 -0.008 0.000 1.211 215 D CA 2.203 56.198 54.000 -0.008 0.000 0.663 215 D CB -0.900 39.897 40.800 -0.007 0.000 0.983 215 D HN 1.731 nan 8.370 nan 0.000 0.407 216 G N -0.840 107.953 108.800 -0.011 0.000 2.176 216 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.252 216 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.252 216 G C 0.142 175.036 174.900 -0.009 0.000 1.024 216 G CA 0.221 45.315 45.100 -0.010 0.000 0.755 216 G HN 0.945 nan 8.290 nan 0.000 0.507 217 V N -0.292 119.615 119.914 -0.011 0.000 2.623 217 V HA 0.559 4.678 4.120 -0.001 0.000 0.304 217 V C 0.345 176.431 176.094 -0.013 0.000 1.054 217 V CA -0.981 61.313 62.300 -0.011 0.000 0.882 217 V CB 2.151 33.968 31.823 -0.009 0.000 1.002 217 V HN 0.302 nan 8.190 nan 0.000 0.424 218 V N 5.865 125.770 119.914 -0.015 0.000 2.498 218 V HA 0.426 4.545 4.120 -0.001 0.000 0.279 218 V C -0.014 176.070 176.094 -0.016 0.000 1.048 218 V CA -0.374 61.915 62.300 -0.017 0.000 0.967 218 V CB 1.367 33.178 31.823 -0.020 0.000 0.988 218 V HN 0.624 nan 8.190 nan 0.000 0.473 219 L N 5.864 127.078 121.223 -0.015 0.000 2.295 219 L HA 0.564 4.903 4.340 -0.001 0.000 0.285 219 L C -0.264 176.598 176.870 -0.013 0.000 1.035 219 L CA -0.325 54.508 54.840 -0.013 0.000 0.806 219 L CB 1.171 43.224 42.059 -0.011 0.000 1.214 219 L HN 0.400 nan 8.230 nan 0.000 0.426 220 L N 1.848 123.064 121.223 -0.012 0.000 2.387 220 L HA 0.262 4.601 4.340 -0.001 0.000 0.266 220 L C 1.022 177.888 176.870 -0.007 0.000 1.059 220 L CA -0.685 54.149 54.840 -0.011 0.000 0.801 220 L CB 1.369 43.420 42.059 -0.013 0.000 1.223 220 L HN 0.688 nan 8.230 nan 0.000 0.456 221 D N -0.172 120.226 120.400 -0.004 0.000 2.378 221 D HA -0.167 4.473 4.640 -0.001 0.000 0.227 221 D C 0.555 176.856 176.300 0.002 0.000 1.012 221 D CA 0.361 54.361 54.000 -0.001 0.000 0.905 221 D CB -0.135 40.666 40.800 0.002 0.000 0.895 221 D HN 0.609 nan 8.370 nan 0.000 0.532 222 D N -0.708 119.693 120.400 0.001 0.000 2.615 222 D HA 0.193 4.832 4.640 -0.001 0.000 0.236 222 D C 1.488 177.788 176.300 0.001 0.000 1.233 222 D CA 0.014 54.016 54.000 0.003 0.000 0.829 222 D CB -0.352 40.452 40.800 0.006 0.000 1.024 222 D HN 0.202 nan 8.370 nan 0.000 0.490 223 G N 0.651 109.450 108.800 -0.001 0.000 2.196 223 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.268 223 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.268 223 G C 0.633 175.530 174.900 -0.004 0.000 0.975 223 G CA 1.177 46.276 45.100 -0.002 0.000 0.648 223 G HN 0.832 nan 8.290 nan 0.000 0.538 224 T N -1.792 112.759 114.554 -0.005 0.000 2.849 224 T HA 0.776 5.125 4.350 -0.001 0.000 0.276 224 T C 0.238 174.932 174.700 -0.010 0.000 0.971 224 T CA 0.147 62.243 62.100 -0.007 0.000 0.949 224 T CB 1.432 70.295 68.868 -0.008 0.000 1.093 224 T HN 1.037 nan 8.240 nan 0.000 0.545 225 R N -0.259 120.235 120.500 -0.011 0.000 2.774 225 R HA 0.778 5.117 4.340 -0.001 0.000 0.272 225 R C -1.406 174.885 176.300 -0.015 0.000 1.000 225 R CA -1.066 55.026 56.100 -0.013 0.000 0.906 225 R CB 1.423 31.717 30.300 -0.011 0.000 1.227 225 R HN 0.603 nan 8.270 nan 0.000 0.468 226 I N 1.130 121.690 120.570 -0.015 0.000 2.500 226 I HA 0.426 4.596 4.170 -0.001 0.000 0.286 226 I C -0.565 175.545 176.117 -0.012 0.000 1.063 226 I CA -0.934 60.357 61.300 -0.016 0.000 1.062 226 I CB 2.240 40.228 38.000 -0.020 0.000 1.223 226 I HN 0.855 nan 8.210 nan 0.000 0.435 227 A N 5.141 127.956 122.820 -0.008 0.000 2.362 227 A HA 0.862 5.181 4.320 -0.001 0.000 0.276 227 A C -0.100 177.485 177.584 0.002 0.000 1.153 227 A CA -0.157 51.878 52.037 -0.004 0.000 0.813 227 A CB 0.542 19.541 19.000 -0.001 0.000 1.081 227 A HN 0.832 nan 8.150 nan 0.000 0.507 228 A N 2.130 124.951 122.820 0.002 0.000 2.449 228 A HA 0.624 4.943 4.320 -0.001 0.000 0.302 228 A C -0.043 177.546 177.584 0.008 0.000 1.048 228 A CA -0.592 51.449 52.037 0.007 0.000 0.708 228 A CB 0.991 19.992 19.000 0.001 0.000 1.274 228 A HN 0.673 nan 8.150 nan 0.000 0.410 229 D N 0.659 121.069 120.400 0.016 0.000 2.249 229 D HA 0.070 4.709 4.640 -0.001 0.000 0.205 229 D C 0.377 176.689 176.300 0.020 0.000 0.962 229 D CA 1.478 55.488 54.000 0.016 0.000 0.860 229 D CB 0.273 41.084 40.800 0.020 0.000 0.955 229 D HN 0.597 nan 8.370 nan 0.000 0.505 230 M N 0.503 120.118 119.600 0.025 0.000 2.413 230 M HA 0.306 4.786 4.480 -0.001 0.000 0.287 230 M C -2.248 174.069 176.300 0.029 0.000 1.186 230 M CA -0.519 54.806 55.300 0.041 0.000 0.927 230 M CB 2.759 35.413 32.600 0.090 0.000 1.715 230 M HN -0.405 nan 8.290 nan 0.000 0.478 231 V N 4.294 124.214 119.914 0.010 0.000 2.495 231 V HA 0.648 4.767 4.120 -0.001 0.000 0.298 231 V C -0.918 175.193 176.094 0.027 0.000 1.031 231 V CA -0.702 61.599 62.300 0.001 0.000 0.871 231 V CB 1.882 33.687 31.823 -0.030 0.000 0.988 231 V HN 0.678 nan 8.190 nan 0.000 0.432 232 V N 5.407 125.340 119.914 0.033 0.000 2.407 232 V HA 0.398 4.517 4.120 -0.001 0.000 0.291 232 V C -0.231 175.871 176.094 0.013 0.000 1.018 232 V CA -0.582 61.747 62.300 0.049 0.000 0.842 232 V CB 1.989 33.842 31.823 0.050 0.000 0.996 232 V HN 0.624 nan 8.190 nan 0.000 0.426 233 V N 4.068 123.988 119.914 0.011 0.000 2.383 233 V HA 0.676 4.796 4.120 -0.001 0.000 0.275 233 V C 0.881 176.971 176.094 -0.007 0.000 1.036 233 V CA 0.059 62.356 62.300 -0.005 0.000 0.889 233 V CB 1.376 33.194 31.823 -0.010 0.000 0.985 233 V HN 0.978 nan 8.190 nan 0.000 0.459 234 G N 4.788 113.578 108.800 -0.017 0.000 4.332 234 G HA2 0.464 4.423 3.960 -0.001 0.000 0.321 234 G HA3 0.464 4.423 3.960 -0.001 0.000 0.321 234 G C -0.010 174.874 174.900 -0.028 0.000 1.439 234 G CA -0.268 44.819 45.100 -0.023 0.000 0.900 234 G HN 0.859 nan 8.290 nan 0.000 0.515 235 I N -0.717 119.839 120.570 -0.024 0.000 3.856 235 I HA 0.645 4.814 4.170 -0.001 0.000 0.333 235 I C 0.724 176.826 176.117 -0.024 0.000 1.525 235 I CA -0.243 61.044 61.300 -0.022 0.000 1.173 235 I CB 0.197 38.186 38.000 -0.017 0.000 1.175 235 I HN 0.487 nan 8.210 nan 0.000 0.424 236 G N 1.008 109.789 108.800 -0.032 0.000 2.541 236 G HA2 0.151 4.110 3.960 -0.001 0.000 0.686 236 G HA3 0.151 4.110 3.960 -0.001 0.000 0.686 236 G C -0.844 174.033 174.900 -0.037 0.000 1.286 236 G CA -0.490 44.587 45.100 -0.038 0.000 0.894 236 G HN 0.864 nan 8.290 nan 0.000 0.575 237 V N -2.156 117.732 119.914 -0.043 0.000 3.074 237 V HA 0.941 5.061 4.120 -0.001 0.000 0.314 237 V C 0.085 176.155 176.094 -0.041 0.000 1.117 237 V CA -1.334 60.941 62.300 -0.042 0.000 1.014 237 V CB 2.018 33.811 31.823 -0.050 0.000 1.057 237 V HN 1.087 nan 8.190 nan 0.000 0.438 238 L N 2.134 123.334 121.223 -0.038 0.000 2.362 238 L HA 0.809 5.148 4.340 -0.001 0.000 0.275 238 L C 0.615 177.458 176.870 -0.045 0.000 0.998 238 L CA -0.859 53.958 54.840 -0.039 0.000 0.820 238 L CB 1.868 43.909 42.059 -0.030 0.000 1.270 238 L HN 1.042 nan 8.230 nan 0.000 0.415 239 A N 2.442 125.229 122.820 -0.055 0.000 2.540 239 A HA 0.073 4.392 4.320 -0.001 0.000 0.239 239 A C 0.175 177.730 177.584 -0.048 0.000 1.061 239 A CA 0.057 52.056 52.037 -0.062 0.000 0.758 239 A CB -0.342 18.609 19.000 -0.082 0.000 0.991 239 A HN 0.877 nan 8.150 nan 0.000 0.502 240 N N 1.404 120.077 118.700 -0.045 0.000 3.245 240 N HA 0.154 4.893 4.740 -0.001 0.000 0.296 240 N C -0.448 175.046 175.510 -0.027 0.000 1.254 240 N CA -0.003 53.028 53.050 -0.031 0.000 1.190 240 N CB 0.371 38.840 38.487 -0.029 0.000 1.460 240 N HN 0.694 nan 8.380 nan 0.000 0.538 241 D N -0.248 120.136 120.400 -0.028 0.000 2.388 241 D HA 0.085 4.724 4.640 -0.001 0.000 0.221 241 D C 1.369 177.670 176.300 0.002 0.000 1.133 241 D CA -0.372 53.618 54.000 -0.017 0.000 0.831 241 D CB 0.019 40.795 40.800 -0.040 0.000 0.962 241 D HN 0.220 nan 8.370 nan 0.000 0.502 242 A N 0.589 123.410 122.820 0.001 0.000 1.917 242 A HA -0.155 4.164 4.320 -0.001 0.000 0.219 242 A C 1.961 179.550 177.584 0.008 0.000 1.182 242 A CA 1.095 53.133 52.037 0.001 0.000 0.633 242 A CB -0.617 18.383 19.000 -0.001 0.000 0.819 242 A HN 0.284 nan 8.150 nan 0.000 0.448 243 L N -0.597 120.654 121.223 0.047 0.000 2.046 243 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 243 L C 2.981 179.896 176.870 0.075 0.000 1.077 243 L CA 1.891 56.784 54.840 0.088 0.000 0.747 243 L CB -0.900 41.301 42.059 0.237 0.000 0.896 243 L HN 0.395 nan 8.230 nan 0.000 0.432 244 A N -0.948 121.965 122.820 0.154 0.000 1.898 244 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 244 A C 2.480 180.073 177.584 0.016 0.000 1.181 244 A CA 1.382 53.509 52.037 0.150 0.000 0.620 244 A CB -0.422 18.651 19.000 0.121 0.000 0.819 244 A HN 0.316 nan 8.150 nan 0.000 0.442 245 R N -0.669 119.829 120.500 -0.002 0.000 2.073 245 R HA -0.103 4.237 4.340 -0.001 0.000 0.234 245 R C 2.460 178.725 176.300 -0.058 0.000 1.134 245 R CA 1.290 57.378 56.100 -0.019 0.000 0.952 245 R CB -0.428 29.863 30.300 -0.014 0.000 0.850 245 R HN 0.507 nan 8.270 nan 0.000 0.433 246 A N 0.680 123.446 122.820 -0.089 0.000 2.015 246 A HA -0.043 4.276 4.320 -0.001 0.000 0.219 246 A C 2.080 179.544 177.584 -0.200 0.000 1.163 246 A CA 1.580 53.542 52.037 -0.124 0.000 0.646 246 A CB -0.287 18.640 19.000 -0.122 0.000 0.806 246 A HN 0.405 nan 8.150 nan 0.000 0.448 247 A N -1.954 120.677 122.820 -0.315 0.000 2.251 247 A HA 0.429 4.748 4.320 -0.001 0.000 0.209 247 A C 1.668 179.136 177.584 -0.192 0.000 1.187 247 A CA 1.124 52.904 52.037 -0.429 0.000 0.823 247 A CB -0.741 17.624 19.000 -1.057 0.000 0.846 247 A HN 1.830 nan 8.150 nan 0.000 0.486 248 G N -1.594 107.143 108.800 -0.105 0.000 2.131 248 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.223 248 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.223 248 G C -0.130 174.771 174.900 0.002 0.000 0.990 248 G CA 0.177 45.253 45.100 -0.041 0.000 0.671 248 G HN 0.315 nan 8.290 nan 0.000 0.521 249 L N 0.844 122.082 121.223 0.025 0.000 2.456 249 L HA 0.743 5.082 4.340 -0.001 0.000 0.257 249 L C 1.189 178.105 176.870 0.077 0.000 1.162 249 L CA 0.256 55.134 54.840 0.064 0.000 0.808 249 L CB 0.859 42.977 42.059 0.098 0.000 1.136 249 L HN 0.503 nan 8.230 nan 0.000 0.466 250 A N 1.167 124.056 122.820 0.115 0.000 2.396 250 A HA 0.495 4.815 4.320 -0.001 0.000 0.279 250 A C -0.552 177.212 177.584 0.300 0.000 1.165 250 A CA -0.206 51.947 52.037 0.194 0.000 0.824 250 A CB -0.578 18.530 19.000 0.180 0.000 1.100 250 A HN 0.708 nan 8.150 nan 0.000 0.516 251 C N 1.509 120.941 119.300 0.220 0.000 2.994 251 C HA 0.786 5.245 4.460 -0.001 0.000 0.305 251 C C -0.609 174.427 174.990 0.078 0.000 1.251 251 C CA -0.543 58.508 59.018 0.055 0.000 1.478 251 C CB 2.088 29.826 27.740 -0.004 0.000 1.922 251 C HN 0.896 nan 8.230 nan 0.000 0.472 252 D N 1.460 121.801 120.400 -0.098 0.000 2.584 252 D HA 0.232 4.871 4.640 -0.001 0.000 0.238 252 D C -0.517 175.714 176.300 -0.116 0.000 1.302 252 D CA 0.182 54.174 54.000 -0.014 0.000 0.884 252 D CB 0.163 41.064 40.800 0.168 0.000 1.456 252 D HN 0.736 nan 8.370 nan 0.000 0.528 253 D N 2.271 122.620 120.400 -0.085 0.000 2.737 253 D HA -0.005 4.634 4.640 -0.001 0.000 0.238 253 D C -0.057 176.155 176.300 -0.147 0.000 1.157 253 D CA 2.222 56.169 54.000 -0.087 0.000 0.694 253 D CB -1.039 39.727 40.800 -0.057 0.000 1.021 253 D HN 0.857 nan 8.370 nan 0.000 0.420 254 G N -0.259 108.432 108.800 -0.182 0.000 2.351 254 G HA2 0.195 4.155 3.960 -0.001 0.000 0.472 254 G HA3 0.195 4.155 3.960 -0.001 0.000 0.472 254 G C -0.380 174.324 174.900 -0.326 0.000 1.570 254 G CA -0.531 44.433 45.100 -0.226 0.000 0.921 254 G HN 0.417 nan 8.290 nan 0.000 0.674 255 I N 1.519 121.960 120.570 -0.215 0.000 2.396 255 I HA 0.323 4.492 4.170 -0.001 0.000 0.289 255 I C 0.283 176.314 176.117 -0.144 0.000 1.056 255 I CA -0.368 60.842 61.300 -0.150 0.000 1.365 255 I CB 0.501 38.469 38.000 -0.052 0.000 1.407 255 I HN 0.338 nan 8.210 nan 0.000 0.509 256 F N 6.582 126.575 119.950 0.072 0.000 2.495 256 F HA 0.364 4.890 4.527 -0.001 0.000 0.365 256 F C 0.499 176.372 175.800 0.122 0.000 1.090 256 F CA -0.221 57.865 58.000 0.143 0.000 1.235 256 F CB 0.827 39.870 39.000 0.072 0.000 1.119 256 F HN 0.217 nan 8.300 nan 0.000 0.562 257 V N -0.081 120.053 119.914 0.367 0.000 3.114 257 V HA 0.655 4.775 4.120 -0.001 0.000 0.308 257 V C -0.993 175.252 176.094 0.252 0.000 1.168 257 V CA -1.133 61.293 62.300 0.211 0.000 1.015 257 V CB 1.886 33.766 31.823 0.096 0.000 1.050 257 V HN 0.636 nan 8.190 nan 0.000 0.433 258 D N 2.502 122.992 120.400 0.151 0.000 2.511 258 D HA 0.610 5.249 4.640 -0.001 0.000 0.276 258 D C 1.140 177.421 176.300 -0.032 0.000 1.220 258 D CA -0.075 53.981 54.000 0.094 0.000 1.077 258 D CB 0.940 41.766 40.800 0.042 0.000 1.126 258 D HN 0.883 nan 8.370 nan 0.000 0.583 259 A N -1.492 121.197 122.820 -0.219 0.000 2.248 259 A HA -0.062 4.258 4.320 -0.001 0.000 0.210 259 A C 1.079 178.482 177.584 -0.301 0.000 1.174 259 A CA 0.679 52.546 52.037 -0.283 0.000 0.750 259 A CB -1.094 17.657 19.000 -0.415 0.000 0.780 259 A HN 0.581 nan 8.150 nan 0.000 0.478 260 Y N -1.684 118.624 120.300 0.014 0.000 2.467 260 Y HA 0.354 4.904 4.550 -0.001 0.000 0.250 260 Y C 1.782 177.796 175.900 0.190 0.000 1.155 260 Y CA 0.119 58.223 58.100 0.007 0.000 1.249 260 Y CB 0.465 38.890 38.460 -0.058 0.000 1.146 260 Y HN 0.410 nan 8.280 nan 0.000 0.524 261 G N 1.300 110.233 108.800 0.222 0.000 2.162 261 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.260 261 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.260 261 G C 0.211 175.190 174.900 0.133 0.000 0.976 261 G CA -0.344 44.878 45.100 0.203 0.000 0.655 261 G HN 0.325 nan 8.290 nan 0.000 0.533 262 R N 1.136 121.651 120.500 0.025 0.000 2.491 262 R HA 0.478 4.817 4.340 -0.001 0.000 0.283 262 R C 1.256 177.477 176.300 -0.130 0.000 1.072 262 R CA 0.652 56.584 56.100 -0.280 0.000 1.048 262 R CB 0.547 30.753 30.300 -0.156 0.000 0.983 262 R HN 0.441 nan 8.270 nan 0.000 0.450 263 T N -2.300 112.143 114.554 -0.184 0.000 2.880 263 T HA 0.105 4.455 4.350 -0.001 0.000 0.279 263 T C 1.385 176.065 174.700 -0.033 0.000 0.990 263 T CA -0.454 61.618 62.100 -0.047 0.000 0.938 263 T CB 1.305 70.152 68.868 -0.034 0.000 1.206 263 T HN 0.639 nan 8.240 nan 0.000 0.573 264 T N -2.460 112.104 114.554 0.017 0.000 3.148 264 T HA 0.118 4.467 4.350 -0.001 0.000 0.253 264 T C 0.686 175.392 174.700 0.009 0.000 1.134 264 T CA -0.405 61.701 62.100 0.011 0.000 1.051 264 T CB -1.150 67.730 68.868 0.021 0.000 0.959 264 T HN 0.671 nan 8.240 nan 0.000 0.525 265 C N 3.367 122.671 119.300 0.008 0.000 2.281 265 C HA 0.611 5.071 4.460 -0.001 0.000 0.325 265 C C -2.583 172.408 174.990 0.001 0.000 1.282 265 C CA -2.644 56.393 59.018 0.031 0.000 1.640 265 C CB 0.373 28.166 27.740 0.088 0.000 2.288 265 C HN 0.290 nan 8.230 nan 0.000 0.507 266 P HA 0.186 nan 4.420 nan 0.000 0.266 266 P C 0.101 177.449 177.300 0.081 0.000 1.195 266 P CA 1.074 64.197 63.100 0.038 0.000 0.768 266 P CB 0.342 32.087 31.700 0.076 0.000 0.838 267 D N -1.061 119.405 120.400 0.109 0.000 2.946 267 D HA -0.123 4.517 4.640 -0.001 0.000 0.202 267 D C -0.492 175.924 176.300 0.193 0.000 1.068 267 D CA 0.900 55.045 54.000 0.243 0.000 1.011 267 D CB -1.483 39.518 40.800 0.334 0.000 1.105 267 D HN 0.139 nan 8.370 nan 0.000 0.425 268 V N 1.153 121.065 119.914 -0.002 0.000 2.409 268 V HA 0.506 4.625 4.120 -0.001 0.000 0.291 268 V C -0.143 175.834 176.094 -0.195 0.000 1.020 268 V CA -0.691 61.558 62.300 -0.086 0.000 0.848 268 V CB 1.455 33.210 31.823 -0.114 0.000 0.990 268 V HN -0.044 nan 8.190 nan 0.000 0.430 269 Y N 2.057 122.256 120.300 -0.169 0.000 2.621 269 Y HA 0.886 5.436 4.550 -0.001 0.000 0.334 269 Y C 0.343 176.119 175.900 -0.206 0.000 1.074 269 Y CA -0.873 57.139 58.100 -0.147 0.000 1.149 269 Y CB 2.182 40.545 38.460 -0.163 0.000 1.302 269 Y HN 0.732 nan 8.280 nan 0.000 0.501 270 A N 1.451 124.260 122.820 -0.018 0.000 2.549 270 A HA 0.902 5.222 4.320 -0.001 0.000 0.297 270 A C -1.961 175.555 177.584 -0.113 0.000 1.061 270 A CA -0.619 51.358 52.037 -0.100 0.000 0.690 270 A CB 1.109 20.063 19.000 -0.076 0.000 1.287 270 A HN 0.654 nan 8.150 nan 0.000 0.402 271 L N 0.880 122.005 121.223 -0.164 0.000 2.409 271 L HA 0.905 5.244 4.340 -0.001 0.000 0.255 271 L C 0.773 177.553 176.870 -0.150 0.000 1.027 271 L CA -0.044 54.695 54.840 -0.168 0.000 0.834 271 L CB 1.723 43.646 42.059 -0.226 0.000 1.426 271 L HN 1.974 nan 8.230 nan 0.000 0.411 272 G N 0.452 109.164 108.800 -0.148 0.000 2.542 272 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.235 272 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.235 272 G C 0.048 174.883 174.900 -0.108 0.000 1.286 272 G CA 0.380 45.401 45.100 -0.132 0.000 0.904 272 G HN 0.697 nan 8.290 nan 0.000 0.577 273 D N -0.631 119.708 120.400 -0.102 0.000 2.265 273 D HA -0.010 4.629 4.640 -0.001 0.000 0.208 273 D C 2.383 178.629 176.300 -0.090 0.000 0.977 273 D CA 1.337 55.282 54.000 -0.091 0.000 0.871 273 D CB -0.051 40.697 40.800 -0.087 0.000 0.925 273 D HN 0.509 nan 8.370 nan 0.000 0.485 274 V N 0.362 120.221 119.914 -0.093 0.000 3.217 274 V HA -0.028 4.091 4.120 -0.001 0.000 0.264 274 V C 0.787 176.819 176.094 -0.102 0.000 1.135 274 V CA 1.248 63.493 62.300 -0.092 0.000 1.142 274 V CB -0.370 31.401 31.823 -0.086 0.000 0.754 274 V HN 0.288 nan 8.190 nan 0.000 0.484 275 T N -0.357 114.138 114.554 -0.099 0.000 2.907 275 T HA 0.478 4.827 4.350 -0.001 0.000 0.284 275 T C -0.176 174.460 174.700 -0.106 0.000 1.004 275 T CA -0.779 61.264 62.100 -0.096 0.000 1.063 275 T CB 1.415 70.244 68.868 -0.066 0.000 0.992 275 T HN 0.304 nan 8.240 nan 0.000 0.483 276 R N 2.578 123.006 120.500 -0.120 0.000 2.295 276 R HA 0.405 4.744 4.340 -0.001 0.000 0.324 276 R C -0.064 176.250 176.300 0.024 0.000 0.968 276 R CA -0.594 55.461 56.100 -0.074 0.000 0.837 276 R CB 1.644 31.803 30.300 -0.234 0.000 1.133 276 R HN 0.887 nan 8.270 nan 0.000 0.450 277 Q N 1.582 121.244 119.800 -0.231 0.000 2.605 277 Q HA 0.443 4.783 4.340 -0.001 0.000 0.296 277 Q C -0.867 174.451 176.000 -1.138 0.000 1.056 277 Q CA -1.198 54.206 55.803 -0.666 0.000 0.778 277 Q CB 1.848 30.424 28.738 -0.270 0.000 1.497 277 Q HN 0.336 nan 8.270 nan 0.000 0.443 278 R N 1.068 120.771 120.500 -1.328 0.000 2.401 278 R HA 0.118 4.457 4.340 -0.001 0.000 0.299 278 R C -0.748 175.350 176.300 -0.336 0.000 1.064 278 R CA 0.104 55.732 56.100 -0.787 0.000 1.000 278 R CB 0.376 30.428 30.300 -0.414 0.000 0.973 278 R HN 0.764 nan 8.270 nan 0.000 0.438 279 N N 5.961 124.549 118.700 -0.187 0.000 2.406 279 N HA 0.128 4.868 4.740 -0.001 0.000 0.251 279 N C -1.618 173.846 175.510 -0.077 0.000 1.069 279 N CA -1.785 51.204 53.050 -0.101 0.000 0.947 279 N CB 1.113 39.578 38.487 -0.037 0.000 1.111 279 N HN 0.422 nan 8.380 nan 0.000 0.497 280 P HA -0.187 nan 4.420 nan 0.000 0.219 280 P C 0.996 178.275 177.300 -0.035 0.000 1.146 280 P CA 1.191 64.246 63.100 -0.075 0.000 0.808 280 P CB 0.305 31.941 31.700 -0.106 0.000 0.779 281 L N -0.272 120.939 121.223 -0.020 0.000 2.209 281 L HA -0.033 4.306 4.340 -0.001 0.000 0.207 281 L C 2.518 179.395 176.870 0.011 0.000 1.094 281 L CA 1.783 56.623 54.840 0.000 0.000 0.790 281 L CB -0.660 41.408 42.059 0.015 0.000 0.932 281 L HN 0.105 nan 8.230 nan 0.000 0.447 282 S N -1.695 114.013 115.700 0.014 0.000 2.511 282 S HA 0.207 4.676 4.470 -0.001 0.000 0.214 282 S C 1.606 176.226 174.600 0.033 0.000 0.997 282 S CA 0.388 58.604 58.200 0.027 0.000 0.908 282 S CB 0.848 64.069 63.200 0.035 0.000 0.803 282 S HN 0.442 nan 8.310 nan 0.000 0.504 283 G N 2.053 110.869 108.800 0.027 0.000 2.212 283 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.266 283 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.266 283 G C 0.169 175.131 174.900 0.103 0.000 0.978 283 G CA 0.323 45.453 45.100 0.049 0.000 0.632 283 G HN 0.589 nan 8.290 nan 0.000 0.537 284 R N -0.449 120.111 120.500 0.100 0.000 2.573 284 R HA 0.677 5.016 4.340 -0.001 0.000 0.272 284 R C -0.436 175.989 176.300 0.207 0.000 1.009 284 R CA -1.101 55.102 56.100 0.171 0.000 1.059 284 R CB 0.278 30.651 30.300 0.122 0.000 1.112 284 R HN 0.057 nan 8.270 nan 0.000 0.517 285 F N 1.376 121.365 119.950 0.066 0.000 2.410 285 F HA 0.242 4.769 4.527 -0.001 0.000 0.348 285 F C 0.650 176.500 175.800 0.083 0.000 1.106 285 F CA 0.008 58.068 58.000 0.100 0.000 1.163 285 F CB 0.888 40.004 39.000 0.194 0.000 1.129 285 F HN 0.472 nan 8.300 nan 0.000 0.516 286 E N 1.748 121.993 120.200 0.075 0.000 2.437 286 E HA 0.457 4.806 4.350 -0.001 0.000 0.280 286 E C -1.432 175.155 176.600 -0.021 0.000 1.044 286 E CA -1.407 55.019 56.400 0.045 0.000 0.826 286 E CB 1.742 31.457 29.700 0.025 0.000 1.358 286 E HN 0.387 nan 8.360 nan 0.000 0.459 287 R N 1.123 121.604 120.500 -0.031 0.000 2.221 287 R HA 0.389 4.728 4.340 -0.001 0.000 0.327 287 R C -0.678 175.590 176.300 -0.055 0.000 1.033 287 R CA -0.256 55.808 56.100 -0.059 0.000 0.887 287 R CB 0.554 30.812 30.300 -0.070 0.000 1.057 287 R HN 0.459 nan 8.270 nan 0.000 0.455 288 I N 4.742 125.280 120.570 -0.054 0.000 2.287 288 I HA 0.116 4.286 4.170 -0.001 0.000 0.290 288 I C -0.089 175.988 176.117 -0.067 0.000 1.069 288 I CA -0.118 61.155 61.300 -0.045 0.000 1.237 288 I CB 1.315 39.307 38.000 -0.013 0.000 1.418 288 I HN 0.568 nan 8.210 nan 0.000 0.481 289 E N 5.162 125.305 120.200 -0.094 0.000 2.232 289 E HA 0.115 4.464 4.350 -0.001 0.000 0.296 289 E C 0.018 176.536 176.600 -0.136 0.000 1.372 289 E CA -0.291 56.041 56.400 -0.113 0.000 1.527 289 E CB 0.217 29.843 29.700 -0.125 0.000 1.424 289 E HN 0.629 nan 8.360 nan 0.000 0.485 290 T N -3.774 110.719 114.554 -0.102 0.000 2.930 290 T HA 0.187 4.537 4.350 -0.001 0.000 0.290 290 T C 0.270 174.956 174.700 -0.023 0.000 1.052 290 T CA -0.960 61.087 62.100 -0.088 0.000 1.017 290 T CB 1.262 70.084 68.868 -0.078 0.000 1.137 290 T HN 0.426 nan 8.240 nan 0.000 0.511 291 W N 1.653 122.842 121.300 -0.186 0.000 2.355 291 W HA -0.107 4.552 4.660 -0.001 0.000 0.309 291 W C 2.563 179.043 176.519 -0.064 0.000 1.206 291 W CA 2.396 59.695 57.345 -0.078 0.000 1.284 291 W CB -0.376 29.113 29.460 0.048 0.000 1.145 291 W HN 0.860 nan 8.180 nan 0.000 0.502 292 S N -0.231 115.514 115.700 0.075 0.000 2.402 292 S HA -0.264 4.206 4.470 -0.001 0.000 0.229 292 S C 1.649 176.171 174.600 -0.129 0.000 1.021 292 S CA 1.495 59.625 58.200 -0.116 0.000 0.974 292 S CB -1.061 61.903 63.200 -0.392 0.000 0.800 292 S HN 0.511 nan 8.310 nan 0.000 0.484 293 N N 2.522 121.162 118.700 -0.100 0.000 2.106 293 N HA 0.007 4.746 4.740 -0.001 0.000 0.188 293 N C 1.860 177.271 175.510 -0.164 0.000 1.029 293 N CA 1.586 54.614 53.050 -0.036 0.000 0.848 293 N CB -0.781 37.705 38.487 -0.002 0.000 1.007 293 N HN 0.468 nan 8.380 nan 0.000 0.423 294 A N 0.212 122.912 122.820 -0.199 0.000 1.908 294 A HA -0.250 4.070 4.320 -0.001 0.000 0.218 294 A C 2.208 179.628 177.584 -0.274 0.000 1.181 294 A CA 1.857 53.756 52.037 -0.231 0.000 0.627 294 A CB -0.980 17.882 19.000 -0.230 0.000 0.818 294 A HN 0.619 nan 8.150 nan 0.000 0.445 295 Q N -0.704 118.874 119.800 -0.370 0.000 2.020 295 Q HA -0.172 4.167 4.340 -0.001 0.000 0.198 295 Q C 1.783 177.655 176.000 -0.214 0.000 0.974 295 Q CA 1.579 57.175 55.803 -0.345 0.000 0.829 295 Q CB -0.139 28.264 28.738 -0.559 0.000 0.894 295 Q HN 0.648 nan 8.270 nan 0.000 0.433 296 N N 0.449 119.048 118.700 -0.169 0.000 2.188 296 N HA -0.185 4.554 4.740 -0.001 0.000 0.184 296 N C 1.559 176.843 175.510 -0.377 0.000 1.018 296 N CA 1.209 54.208 53.050 -0.086 0.000 0.858 296 N CB -0.260 38.331 38.487 0.174 0.000 0.989 296 N HN 0.383 nan 8.380 nan 0.000 0.426 297 Q N 0.326 119.710 119.800 -0.692 0.000 2.123 297 Q HA -0.035 4.304 4.340 -0.001 0.000 0.199 297 Q C 1.931 177.687 176.000 -0.408 0.000 0.966 297 Q CA 1.482 56.669 55.803 -1.027 0.000 0.845 297 Q CB -0.269 27.981 28.738 -0.814 0.000 0.907 297 Q HN 0.350 nan 8.270 nan 0.000 0.439 298 G N 1.137 109.799 108.800 -0.229 0.000 2.418 298 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.217 298 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.217 298 G C 1.395 176.332 174.900 0.062 0.000 1.158 298 G CA 0.896 45.984 45.100 -0.020 0.000 0.771 298 G HN 0.351 nan 8.290 nan 0.000 0.545 299 I N 1.286 121.837 120.570 -0.033 0.000 2.142 299 I HA -0.163 4.006 4.170 -0.001 0.000 0.240 299 I C 3.326 179.456 176.117 0.021 0.000 1.078 299 I CA 1.014 62.309 61.300 -0.009 0.000 1.343 299 I CB -0.262 37.732 38.000 -0.011 0.000 1.046 299 I HN 0.246 nan 8.210 nan 0.000 0.405 300 A N 0.332 123.156 122.820 0.007 0.000 1.908 300 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 300 A C 2.408 180.071 177.584 0.132 0.000 1.181 300 A CA 1.942 54.033 52.037 0.090 0.000 0.627 300 A CB -0.994 18.095 19.000 0.148 0.000 0.818 300 A HN 0.267 nan 8.150 nan 0.000 0.445 301 V N -0.356 119.621 119.914 0.105 0.000 2.358 301 V HA -0.193 3.926 4.120 -0.001 0.000 0.246 301 V C 3.032 179.258 176.094 0.221 0.000 1.047 301 V CA 1.782 64.198 62.300 0.192 0.000 1.035 301 V CB -1.163 30.745 31.823 0.143 0.000 0.658 301 V HN 0.622 nan 8.190 nan 0.000 0.452 302 A N 0.028 122.963 122.820 0.191 0.000 1.902 302 A HA -0.257 4.063 4.320 -0.001 0.000 0.217 302 A C 2.326 179.866 177.584 -0.074 0.000 1.181 302 A CA 2.110 54.094 52.037 -0.089 0.000 0.623 302 A CB -0.515 18.247 19.000 -0.396 0.000 0.818 302 A HN 0.452 nan 8.150 nan 0.000 0.443 303 R N -1.230 119.274 120.500 0.006 0.000 2.083 303 R HA -0.189 4.150 4.340 -0.001 0.000 0.237 303 R C 2.164 178.497 176.300 0.054 0.000 1.137 303 R CA 2.054 58.169 56.100 0.026 0.000 0.951 303 R CB -0.557 29.783 30.300 0.067 0.000 0.851 303 R HN 0.790 nan 8.270 nan 0.000 0.434 304 H N -0.633 118.459 119.070 0.038 0.000 2.462 304 H HA 0.048 4.604 4.556 -0.001 0.000 0.292 304 H C 1.677 176.991 175.328 -0.025 0.000 1.049 304 H CA 1.305 57.375 56.048 0.037 0.000 1.334 304 H CB 0.067 29.910 29.762 0.135 0.000 1.404 304 H HN 0.167 nan 8.280 nan 0.000 0.544 305 L N -0.728 120.464 121.223 -0.052 0.000 2.109 305 L HA -0.104 4.236 4.340 -0.001 0.000 0.207 305 L C 2.080 178.833 176.870 -0.195 0.000 1.086 305 L CA 0.729 55.473 54.840 -0.161 0.000 0.760 305 L CB 0.001 41.947 42.059 -0.188 0.000 0.910 305 L HN 0.247 nan 8.230 nan 0.000 0.437 306 V N -1.474 118.345 119.914 -0.158 0.000 2.535 306 V HA -0.094 4.025 4.120 -0.001 0.000 0.246 306 V C 0.292 176.317 176.094 -0.114 0.000 1.045 306 V CA 1.067 63.294 62.300 -0.121 0.000 1.058 306 V CB -0.159 31.613 31.823 -0.084 0.000 0.689 306 V HN 0.325 nan 8.190 nan 0.000 0.461 307 D N -0.853 119.467 120.400 -0.133 0.000 2.389 307 D HA 0.296 4.936 4.640 -0.001 0.000 0.256 307 D C -2.233 173.928 176.300 -0.232 0.000 1.239 307 D CA -2.168 51.754 54.000 -0.129 0.000 0.925 307 D CB 1.954 42.721 40.800 -0.055 0.000 1.145 307 D HN 0.035 nan 8.370 nan 0.000 0.542 308 P HA -0.053 nan 4.420 nan 0.000 0.229 308 P C 1.152 178.359 177.300 -0.155 0.000 1.150 308 P CA 0.736 63.516 63.100 -0.533 0.000 0.765 308 P CB 0.391 31.883 31.700 -0.347 0.000 0.783 309 T N -1.212 113.304 114.554 -0.064 0.000 3.023 309 T HA 0.136 4.485 4.350 -0.001 0.000 0.266 309 T C 0.958 175.711 174.700 0.089 0.000 1.093 309 T CA 0.355 62.468 62.100 0.022 0.000 1.129 309 T CB -0.407 68.466 68.868 0.008 0.000 0.899 309 T HN 0.060 nan 8.240 nan 0.000 0.491 310 A N 3.006 125.893 122.820 0.111 0.000 2.407 310 A HA 0.491 4.811 4.320 -0.001 0.000 0.248 310 A C -2.097 175.666 177.584 0.298 0.000 1.082 310 A CA -1.290 50.852 52.037 0.174 0.000 0.785 310 A CB 0.085 19.177 19.000 0.154 0.000 1.020 310 A HN 0.201 nan 8.150 nan 0.000 0.489 311 P HA 0.254 nan 4.420 nan 0.000 0.274 311 P C 0.468 177.916 177.300 0.245 0.000 1.246 311 P CA 0.096 63.330 63.100 0.223 0.000 0.795 311 P CB 0.542 32.323 31.700 0.135 0.000 1.006 312 G N -0.011 108.896 108.800 0.178 0.000 2.651 312 G HA2 0.130 4.089 3.960 -0.001 0.000 0.260 312 G HA3 0.130 4.089 3.960 -0.001 0.000 0.260 312 G C -0.978 173.976 174.900 0.090 0.000 1.216 312 G CA -0.675 44.444 45.100 0.032 0.000 0.913 312 G HN 0.556 nan 8.290 nan 0.000 0.535 313 Y N 0.130 120.398 120.300 -0.055 0.000 2.632 313 Y HA 0.292 4.841 4.550 -0.001 0.000 0.329 313 Y C 0.877 176.750 175.900 -0.045 0.000 1.174 313 Y CA 0.167 58.251 58.100 -0.026 0.000 1.469 313 Y CB 0.648 39.091 38.460 -0.029 0.000 1.242 313 Y HN 0.433 nan 8.280 nan 0.000 0.540 314 A N 4.962 127.587 122.820 -0.326 0.000 2.630 314 A HA 0.196 4.515 4.320 -0.001 0.000 0.287 314 A C -0.280 177.082 177.584 -0.370 0.000 1.040 314 A CA -0.449 51.374 52.037 -0.358 0.000 0.971 314 A CB 0.069 18.985 19.000 -0.140 0.000 1.241 314 A HN 0.659 nan 8.150 nan 0.000 0.558 315 E N 0.444 120.323 120.200 -0.534 0.000 2.398 315 E HA 0.274 4.623 4.350 -0.001 0.000 0.263 315 E C -0.292 176.207 176.600 -0.168 0.000 1.046 315 E CA 0.158 56.447 56.400 -0.185 0.000 0.908 315 E CB 0.821 30.582 29.700 0.103 0.000 0.963 315 E HN 0.483 nan 8.360 nan 0.000 0.431 316 L N 3.988 125.216 121.223 0.008 0.000 2.399 316 L HA 0.306 4.645 4.340 -0.001 0.000 0.266 316 L C -1.812 175.169 176.870 0.186 0.000 1.114 316 L CA -1.870 52.999 54.840 0.050 0.000 0.804 316 L CB 0.531 42.624 42.059 0.057 0.000 1.146 316 L HN 0.260 nan 8.230 nan 0.000 0.451 317 P HA 0.212 nan 4.420 nan 0.000 0.278 317 P C -1.372 176.170 177.300 0.404 0.000 1.238 317 P CA -0.276 62.955 63.100 0.219 0.000 0.794 317 P CB 0.871 32.655 31.700 0.140 0.000 0.955 318 W N 2.483 123.949 121.300 0.277 0.000 3.057 318 W HA 0.526 5.185 4.660 -0.001 0.000 0.328 318 W C -2.515 174.277 176.519 0.455 0.000 1.232 318 W CA -1.045 56.499 57.345 0.333 0.000 1.187 318 W CB 0.141 29.805 29.460 0.339 0.000 1.417 318 W HN 0.649 nan 8.180 nan 0.000 0.569 319 Y N -0.446 120.130 120.300 0.460 0.000 2.764 319 Y HA 0.809 5.359 4.550 -0.001 0.000 0.331 319 Y C -1.632 174.542 175.900 0.456 0.000 1.280 319 Y CA -1.905 56.303 58.100 0.181 0.000 1.065 319 Y CB 0.799 39.211 38.460 -0.080 0.000 1.319 319 Y HN 0.771 nan 8.280 nan 0.000 0.453 320 W N 0.151 121.549 121.300 0.164 0.000 3.032 320 W HA 0.872 5.531 4.660 -0.001 0.000 0.341 320 W C -1.755 174.837 176.519 0.121 0.000 1.202 320 W CA -1.149 56.195 57.345 -0.001 0.000 1.132 320 W CB 1.737 31.199 29.460 0.004 0.000 1.465 320 W HN 0.754 nan 8.180 nan 0.000 0.576 321 S N 0.955 116.688 115.700 0.055 0.000 2.543 321 S HA 0.347 4.816 4.470 -0.001 0.000 0.271 321 S C -2.119 172.551 174.600 0.118 0.000 1.148 321 S CA -0.614 57.580 58.200 -0.009 0.000 0.914 321 S CB 1.028 64.267 63.200 0.066 0.000 1.096 321 S HN 0.448 nan 8.310 nan 0.000 0.471 322 D N 3.513 123.984 120.400 0.118 0.000 2.441 322 D HA 0.338 4.977 4.640 -0.001 0.000 0.231 322 D C -0.724 175.629 176.300 0.089 0.000 1.073 322 D CA -0.133 53.938 54.000 0.118 0.000 0.850 322 D CB 1.497 42.388 40.800 0.152 0.000 1.062 322 D HN 0.501 nan 8.370 nan 0.000 0.524 323 Q N 1.372 121.215 119.800 0.071 0.000 2.523 323 Q HA 0.501 4.841 4.340 -0.001 0.000 0.251 323 Q C 0.915 176.963 176.000 0.080 0.000 1.033 323 Q CA -0.777 55.097 55.803 0.119 0.000 0.746 323 Q CB 1.834 30.683 28.738 0.185 0.000 1.189 323 Q HN 0.662 nan 8.270 nan 0.000 0.508 324 G N 2.216 111.086 108.800 0.116 0.000 2.596 324 G HA2 -0.461 3.498 3.960 -0.001 0.000 0.304 324 G HA3 -0.461 3.498 3.960 -0.001 0.000 0.304 324 G C 0.761 175.704 174.900 0.071 0.000 1.189 324 G CA 0.262 45.438 45.100 0.127 0.000 0.986 324 G HN 0.714 nan 8.290 nan 0.000 0.548 325 A N -0.028 122.847 122.820 0.092 0.000 2.235 325 A HA 0.578 4.897 4.320 -0.001 0.000 0.208 325 A C 1.200 178.730 177.584 -0.090 0.000 1.172 325 A CA 0.897 52.952 52.037 0.029 0.000 0.786 325 A CB -0.226 18.846 19.000 0.121 0.000 0.804 325 A HN 0.677 nan 8.150 nan 0.000 0.479 326 L N 0.157 121.260 121.223 -0.200 0.000 2.275 326 L HA 0.461 4.801 4.340 -0.001 0.000 0.288 326 L C 0.222 177.037 176.870 -0.090 0.000 1.046 326 L CA -0.542 54.177 54.840 -0.200 0.000 0.805 326 L CB 1.295 43.155 42.059 -0.331 0.000 1.193 326 L HN 0.141 nan 8.230 nan 0.000 0.426 327 R N 3.903 124.349 120.500 -0.090 0.000 2.272 327 R HA 0.532 4.872 4.340 -0.001 0.000 0.323 327 R C -0.893 175.340 176.300 -0.112 0.000 1.002 327 R CA -0.110 55.952 56.100 -0.063 0.000 0.900 327 R CB 0.501 30.754 30.300 -0.079 0.000 1.151 327 R HN 0.513 nan 8.270 nan 0.000 0.507 328 I N 3.472 124.001 120.570 -0.068 0.000 2.359 328 I HA 0.294 4.463 4.170 -0.001 0.000 0.294 328 I C -0.169 175.846 176.117 -0.171 0.000 0.987 328 I CA -0.634 60.590 61.300 -0.127 0.000 1.225 328 I CB 1.841 39.807 38.000 -0.056 0.000 1.366 328 I HN 0.397 nan 8.210 nan 0.000 0.466 329 Q N 5.575 125.159 119.800 -0.361 0.000 2.310 329 Q HA 0.620 4.960 4.340 -0.001 0.000 0.270 329 Q C -1.394 174.318 176.000 -0.479 0.000 1.025 329 Q CA -0.685 54.732 55.803 -0.643 0.000 0.772 329 Q CB 3.253 31.094 28.738 -1.495 0.000 1.253 329 Q HN 0.414 nan 8.270 nan 0.000 0.450 330 V N 1.267 120.973 119.914 -0.347 0.000 2.531 330 V HA 0.874 4.994 4.120 -0.001 0.000 0.301 330 V C -0.744 175.475 176.094 0.208 0.000 1.034 330 V CA -0.677 61.544 62.300 -0.131 0.000 0.865 330 V CB 1.633 33.197 31.823 -0.431 0.000 0.995 330 V HN 0.833 nan 8.190 nan 0.000 0.424 331 A N 3.173 126.201 122.820 0.347 0.000 2.414 331 A HA 0.999 5.318 4.320 -0.001 0.000 0.306 331 A C 0.407 178.110 177.584 0.199 0.000 1.054 331 A CA 0.106 52.346 52.037 0.338 0.000 0.724 331 A CB 1.525 20.620 19.000 0.158 0.000 1.267 331 A HN 2.186 nan 8.150 nan 0.000 0.418 332 G N -0.006 108.912 108.800 0.196 0.000 2.562 332 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.250 332 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.250 332 G C -0.125 174.854 174.900 0.131 0.000 1.269 332 G CA 0.009 45.187 45.100 0.130 0.000 0.919 332 G HN 1.292 nan 8.290 nan 0.000 0.574 333 L N 0.701 121.981 121.223 0.095 0.000 2.418 333 L HA 0.534 4.874 4.340 -0.001 0.000 0.265 333 L C 2.009 178.937 176.870 0.097 0.000 1.143 333 L CA -0.036 54.858 54.840 0.090 0.000 0.809 333 L CB 1.202 43.300 42.059 0.064 0.000 1.124 333 L HN 0.983 nan 8.230 nan 0.000 0.456 334 A N 1.340 124.220 122.820 0.101 0.000 2.123 334 A HA 0.074 4.393 4.320 -0.001 0.000 0.214 334 A C 0.877 178.509 177.584 0.080 0.000 1.152 334 A CA 0.913 53.012 52.037 0.102 0.000 0.728 334 A CB -0.166 18.900 19.000 0.111 0.000 0.814 334 A HN 0.755 nan 8.150 nan 0.000 0.464 335 S N -3.177 112.563 115.700 0.066 0.000 2.618 335 S HA 0.803 5.273 4.470 -0.001 0.000 0.277 335 S C -0.185 174.441 174.600 0.043 0.000 1.138 335 S CA -0.067 58.164 58.200 0.053 0.000 0.844 335 S CB 1.485 64.714 63.200 0.047 0.000 1.127 335 S HN 1.231 nan 8.310 nan 0.000 0.474 336 G N 0.279 109.100 108.800 0.036 0.000 2.677 336 G HA2 0.456 4.416 3.960 -0.001 0.000 0.283 336 G HA3 0.456 4.416 3.960 -0.001 0.000 0.283 336 G C -0.693 174.222 174.900 0.024 0.000 1.221 336 G CA -0.309 44.808 45.100 0.029 0.000 0.851 336 G HN 0.554 nan 8.290 nan 0.000 0.504 337 D N 0.190 120.601 120.400 0.020 0.000 2.084 337 D HA 0.063 4.702 4.640 -0.001 0.000 0.194 337 D C 1.022 177.331 176.300 0.015 0.000 0.990 337 D CA 1.776 55.785 54.000 0.016 0.000 0.826 337 D CB 0.299 41.106 40.800 0.013 0.000 0.971 337 D HN 0.587 nan 8.370 nan 0.000 0.453 338 E N -0.574 119.635 120.200 0.016 0.000 2.429 338 E HA 0.351 4.700 4.350 -0.001 0.000 0.276 338 E C -1.259 175.353 176.600 0.019 0.000 0.953 338 E CA -0.780 55.629 56.400 0.015 0.000 0.787 338 E CB 2.119 31.826 29.700 0.011 0.000 1.307 338 E HN -0.082 nan 8.360 nan 0.000 0.458 339 E N 2.682 122.894 120.200 0.019 0.000 2.210 339 E HA 0.370 4.719 4.350 -0.001 0.000 0.266 339 E C -0.862 175.749 176.600 0.020 0.000 0.883 339 E CA -0.816 55.599 56.400 0.025 0.000 0.761 339 E CB 1.282 31.000 29.700 0.030 0.000 1.156 339 E HN 0.423 nan 8.360 nan 0.000 0.412 340 I N 4.514 125.098 120.570 0.023 0.000 2.336 340 I HA 0.268 4.437 4.170 -0.001 0.000 0.292 340 I C -0.425 175.709 176.117 0.028 0.000 0.991 340 I CA -0.867 60.444 61.300 0.019 0.000 1.227 340 I CB 1.546 39.556 38.000 0.017 0.000 1.366 340 I HN 0.355 nan 8.210 nan 0.000 0.466 341 V N 7.591 127.516 119.914 0.018 0.000 2.334 341 V HA 0.400 4.520 4.120 -0.001 0.000 0.281 341 V C 0.203 176.311 176.094 0.024 0.000 1.016 341 V CA -0.732 61.582 62.300 0.023 0.000 0.832 341 V CB 1.348 33.158 31.823 -0.021 0.000 0.999 341 V HN 0.662 nan 8.190 nan 0.000 0.439 342 R N 3.402 123.934 120.500 0.053 0.000 2.346 342 R HA 0.737 5.076 4.340 -0.001 0.000 0.311 342 R C 0.620 176.961 176.300 0.068 0.000 0.983 342 R CA 0.233 56.359 56.100 0.044 0.000 0.880 342 R CB 1.724 32.047 30.300 0.038 0.000 1.100 342 R HN 1.068 nan 8.270 nan 0.000 0.453 343 G N 2.220 111.044 108.800 0.040 0.000 2.660 343 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.247 343 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.247 343 G C -1.351 173.557 174.900 0.013 0.000 1.328 343 G CA -0.808 44.321 45.100 0.048 0.000 0.884 343 G HN 0.565 nan 8.290 nan 0.000 0.531 344 E N -1.366 118.840 120.200 0.011 0.000 2.183 344 E HA 0.588 4.937 4.350 -0.001 0.000 0.271 344 E C -0.163 176.343 176.600 -0.156 0.000 0.919 344 E CA -1.065 55.298 56.400 -0.062 0.000 0.781 344 E CB 2.133 31.819 29.700 -0.023 0.000 1.140 344 E HN 0.727 nan 8.360 nan 0.000 0.402 345 V N 2.738 122.432 119.914 -0.367 0.000 2.162 345 V HA 0.230 4.350 4.120 -0.001 0.000 0.255 345 V C -0.293 175.682 176.094 -0.198 0.000 1.304 345 V CA -0.221 61.668 62.300 -0.686 0.000 1.198 345 V CB -0.950 30.354 31.823 -0.865 0.000 1.333 345 V HN 0.735 nan 8.190 nan 0.000 0.493 346 S N 3.179 118.876 115.700 -0.005 0.000 2.454 346 S HA 0.555 5.024 4.470 -0.001 0.000 0.306 346 S C 0.480 175.293 174.600 0.355 0.000 1.100 346 S CA -0.726 57.567 58.200 0.155 0.000 1.087 346 S CB 2.002 65.259 63.200 0.094 0.000 1.019 346 S HN 0.220 nan 8.310 nan 0.000 0.480 347 L N 2.446 123.879 121.223 0.350 0.000 2.191 347 L HA -0.051 4.288 4.340 -0.001 0.000 0.212 347 L C 2.023 179.041 176.870 0.246 0.000 1.103 347 L CA 1.719 56.751 54.840 0.319 0.000 0.769 347 L CB -0.660 41.484 42.059 0.143 0.000 0.908 347 L HN 0.786 nan 8.230 nan 0.000 0.438 348 D N -0.051 120.455 120.400 0.177 0.000 2.083 348 D HA -0.063 4.576 4.640 -0.001 0.000 0.199 348 D C 1.022 177.406 176.300 0.140 0.000 0.980 348 D CA 1.525 55.602 54.000 0.129 0.000 0.851 348 D CB 0.027 40.880 40.800 0.089 0.000 0.997 348 D HN 0.298 nan 8.370 nan 0.000 0.449 349 A N 2.198 125.097 122.820 0.132 0.000 2.937 349 A HA 0.352 4.671 4.320 -0.001 0.000 0.338 349 A C -2.435 175.236 177.584 0.144 0.000 1.273 349 A CA -1.265 50.841 52.037 0.115 0.000 0.937 349 A CB 0.424 19.470 19.000 0.076 0.000 1.133 349 A HN -0.008 nan 8.150 nan 0.000 0.491 350 P HA 0.220 nan 4.420 nan 0.000 0.270 350 P C -0.713 176.642 177.300 0.092 0.000 1.242 350 P CA 0.255 63.492 63.100 0.230 0.000 0.768 350 P CB 0.515 32.447 31.700 0.387 0.000 0.820 351 K N 4.650 125.122 120.400 0.121 0.000 2.745 351 K HA 0.302 4.622 4.320 -0.001 0.000 0.293 351 K C -1.472 175.180 176.600 0.087 0.000 1.271 351 K CA -0.517 55.769 56.287 -0.002 0.000 1.060 351 K CB 0.242 32.748 32.500 0.010 0.000 1.394 351 K HN 0.390 nan 8.250 nan 0.000 0.537 352 F N -1.554 118.312 119.950 -0.140 0.000 2.692 352 F HA 0.741 5.267 4.527 -0.001 0.000 0.320 352 F C -0.976 174.767 175.800 -0.096 0.000 1.123 352 F CA -1.019 56.905 58.000 -0.126 0.000 0.961 352 F CB 1.921 40.815 39.000 -0.177 0.000 1.383 352 F HN -0.044 nan 8.300 nan 0.000 0.483 353 T N 2.204 116.838 114.554 0.135 0.000 2.921 353 T HA 0.631 4.981 4.350 -0.001 0.000 0.297 353 T C -1.070 173.711 174.700 0.134 0.000 1.013 353 T CA -0.571 61.560 62.100 0.052 0.000 0.990 353 T CB 1.577 70.462 68.868 0.029 0.000 1.023 353 T HN 0.594 nan 8.240 nan 0.000 0.447 354 L N 3.804 125.096 121.223 0.114 0.000 2.329 354 L HA 0.691 5.030 4.340 -0.001 0.000 0.279 354 L C -0.669 176.245 176.870 0.074 0.000 1.014 354 L CA -1.008 53.901 54.840 0.113 0.000 0.814 354 L CB 1.635 43.776 42.059 0.137 0.000 1.257 354 L HN 0.503 nan 8.230 nan 0.000 0.424 355 I N 2.327 122.931 120.570 0.057 0.000 2.447 355 I HA 0.306 4.476 4.170 -0.001 0.000 0.287 355 I C -0.597 175.543 176.117 0.039 0.000 1.023 355 I CA -0.733 60.592 61.300 0.041 0.000 1.083 355 I CB 2.028 40.044 38.000 0.026 0.000 1.245 355 I HN 0.494 nan 8.210 nan 0.000 0.434 356 E N 6.472 126.696 120.200 0.040 0.000 2.174 356 E HA 0.508 4.857 4.350 -0.001 0.000 0.282 356 E C -0.821 175.795 176.600 0.027 0.000 0.992 356 E CA -0.694 55.729 56.400 0.038 0.000 0.803 356 E CB 2.264 31.993 29.700 0.048 0.000 1.090 356 E HN 0.278 nan 8.360 nan 0.000 0.396 357 L N 2.079 123.316 121.223 0.022 0.000 2.333 357 L HA 0.393 4.732 4.340 -0.001 0.000 0.269 357 L C -0.246 176.634 176.870 0.016 0.000 1.010 357 L CA -0.721 54.128 54.840 0.016 0.000 0.818 357 L CB 1.553 43.620 42.059 0.012 0.000 1.306 357 L HN 0.512 nan 8.230 nan 0.000 0.430 358 Q N 2.647 122.455 119.800 0.013 0.000 2.695 358 Q HA 0.311 4.650 4.340 -0.001 0.000 0.246 358 Q C -1.031 174.974 176.000 0.009 0.000 0.961 358 Q CA -0.251 55.560 55.803 0.013 0.000 0.708 358 Q CB 0.513 29.260 28.738 0.015 0.000 1.282 358 Q HN 0.449 nan 8.270 nan 0.000 0.482 359 K N 2.448 122.854 120.400 0.009 0.000 3.244 359 K HA -0.255 4.064 4.320 -0.001 0.000 0.270 359 K C 0.582 177.185 176.600 0.005 0.000 1.016 359 K CA 0.629 56.920 56.287 0.007 0.000 0.754 359 K CB -1.892 30.611 32.500 0.006 0.000 1.326 359 K HN 1.125 nan 8.250 nan 0.000 0.465 360 G N 0.099 108.902 108.800 0.005 0.000 2.234 360 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.260 360 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.260 360 G C 0.143 175.044 174.900 0.001 0.000 0.987 360 G CA 0.717 45.819 45.100 0.003 0.000 0.625 360 G HN 0.488 nan 8.290 nan 0.000 0.532 361 R N 0.497 120.998 120.500 0.002 0.000 2.312 361 R HA 0.620 4.960 4.340 -0.001 0.000 0.311 361 R C 0.607 176.908 176.300 0.001 0.000 1.004 361 R CA -0.879 55.221 56.100 0.000 0.000 0.902 361 R CB 0.313 30.613 30.300 0.000 0.000 1.073 361 R HN 0.231 nan 8.270 nan 0.000 0.457 362 I N 6.130 126.698 120.570 -0.003 0.000 2.517 362 I HA -0.051 4.118 4.170 -0.001 0.000 0.285 362 I C 1.212 177.329 176.117 0.000 0.000 1.106 362 I CA 0.140 61.439 61.300 -0.003 0.000 1.402 362 I CB 1.102 39.093 38.000 -0.014 0.000 1.399 362 I HN 0.600 nan 8.210 nan 0.000 0.535 363 V N 2.660 122.581 119.914 0.011 0.000 3.432 363 V HA 0.589 4.708 4.120 -0.001 0.000 0.298 363 V C 0.518 176.632 176.094 0.032 0.000 1.464 363 V CA 0.171 62.482 62.300 0.019 0.000 1.046 363 V CB 0.237 32.074 31.823 0.024 0.000 0.887 363 V HN 0.799 nan 8.190 nan 0.000 0.441 364 G N -0.730 108.090 108.800 0.033 0.000 2.632 364 G HA2 0.817 4.776 3.960 -0.001 0.000 0.292 364 G HA3 0.817 4.776 3.960 -0.001 0.000 0.292 364 G C -1.503 173.428 174.900 0.052 0.000 1.465 364 G CA -0.066 45.066 45.100 0.054 0.000 0.824 364 G HN 1.127 nan 8.290 nan 0.000 0.509 365 A N 0.037 122.905 122.820 0.080 0.000 2.547 365 A HA 0.894 5.214 4.320 -0.001 0.000 0.297 365 A C -0.624 177.056 177.584 0.160 0.000 1.056 365 A CA -0.504 51.589 52.037 0.094 0.000 0.688 365 A CB 1.889 20.918 19.000 0.048 0.000 1.282 365 A HN 1.057 nan 8.150 nan 0.000 0.400 366 T N 0.954 115.576 114.554 0.114 0.000 2.861 366 T HA 0.570 4.919 4.350 -0.001 0.000 0.287 366 T C -0.996 173.690 174.700 -0.024 0.000 1.003 366 T CA -0.213 61.918 62.100 0.052 0.000 0.977 366 T CB 0.990 69.877 68.868 0.032 0.000 0.996 366 T HN 0.787 nan 8.240 nan 0.000 0.448 367 C N 3.121 122.342 119.300 -0.131 0.000 2.396 367 C HA 0.707 5.166 4.460 -0.001 0.000 0.321 367 C C -0.203 174.568 174.990 -0.365 0.000 1.233 367 C CA -0.723 58.167 59.018 -0.214 0.000 1.440 367 C CB 0.823 28.492 27.740 -0.118 0.000 2.110 367 C HN 0.708 nan 8.230 nan 0.000 0.473 368 V N 4.434 124.028 119.914 -0.534 0.000 2.350 368 V HA 0.373 4.493 4.120 -0.001 0.000 0.285 368 V C 0.179 176.042 176.094 -0.385 0.000 1.014 368 V CA -0.326 61.640 62.300 -0.556 0.000 0.831 368 V CB 0.870 32.092 31.823 -1.001 0.000 1.000 368 V HN 1.100 nan 8.190 nan 0.000 0.433 369 N N 3.718 122.273 118.700 -0.242 0.000 2.727 369 N HA -0.199 4.540 4.740 -0.001 0.000 0.249 369 N C 0.142 175.569 175.510 -0.138 0.000 1.048 369 N CA 0.566 53.523 53.050 -0.155 0.000 0.714 369 N CB -0.546 37.873 38.487 -0.114 0.000 0.959 369 N HN 0.679 nan 8.380 nan 0.000 0.544 370 N N -0.669 117.941 118.700 -0.150 0.000 2.622 370 N HA 0.333 5.073 4.740 -0.001 0.000 0.293 370 N C 0.685 176.151 175.510 -0.074 0.000 1.788 370 N CA 0.443 53.432 53.050 -0.103 0.000 0.860 370 N CB 0.286 38.708 38.487 -0.109 0.000 1.388 370 N HN 0.339 nan 8.380 nan 0.000 0.496 371 A N 0.324 123.094 122.820 -0.083 0.000 2.084 371 A HA -0.133 4.187 4.320 -0.001 0.000 0.221 371 A C 2.172 179.754 177.584 -0.003 0.000 1.161 371 A CA 1.120 53.124 52.037 -0.056 0.000 0.653 371 A CB -0.209 18.741 19.000 -0.085 0.000 0.802 371 A HN 0.394 nan 8.150 nan 0.000 0.457 372 R N -0.730 119.759 120.500 -0.018 0.000 2.120 372 R HA -0.125 4.214 4.340 -0.001 0.000 0.234 372 R C 0.974 177.271 176.300 -0.005 0.000 1.123 372 R CA 1.496 57.587 56.100 -0.015 0.000 0.975 372 R CB -0.149 30.138 30.300 -0.021 0.000 0.866 372 R HN 0.467 nan 8.270 nan 0.000 0.446 373 D N -0.721 119.684 120.400 0.010 0.000 2.289 373 D HA -0.089 4.550 4.640 -0.001 0.000 0.207 373 D C 1.286 177.607 176.300 0.035 0.000 0.966 373 D CA 0.484 54.490 54.000 0.011 0.000 0.868 373 D CB -0.075 40.732 40.800 0.013 0.000 0.943 373 D HN 0.046 nan 8.370 nan 0.000 0.514 374 F N 2.082 121.961 119.950 -0.119 0.000 2.095 374 F HA -0.175 4.351 4.527 -0.001 0.000 0.298 374 F C 2.207 177.904 175.800 -0.172 0.000 1.104 374 F CA 1.293 59.202 58.000 -0.151 0.000 1.232 374 F CB -0.541 38.350 39.000 -0.182 0.000 0.987 374 F HN -0.053 nan 8.300 nan 0.000 0.475 375 A N 1.044 123.782 122.820 -0.136 0.000 1.859 375 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 375 A C -0.070 177.376 177.584 -0.230 0.000 1.198 375 A CA 2.176 54.079 52.037 -0.223 0.000 0.629 375 A CB -2.373 16.557 19.000 -0.117 0.000 0.830 375 A HN 0.366 nan 8.150 nan 0.000 0.446 376 P HA -0.153 nan 4.420 nan 0.000 0.215 376 P C 1.637 178.845 177.300 -0.153 0.000 1.153 376 P CA 1.079 64.105 63.100 -0.124 0.000 0.853 376 P CB -0.263 31.390 31.700 -0.079 0.000 0.788 377 L N -0.880 120.236 121.223 -0.178 0.000 2.079 377 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 377 L C 3.017 179.731 176.870 -0.260 0.000 1.081 377 L CA 1.446 56.176 54.840 -0.184 0.000 0.752 377 L CB -0.545 41.420 42.059 -0.157 0.000 0.896 377 L HN -0.098 nan 8.230 nan 0.000 0.433 378 R N -0.427 119.823 120.500 -0.416 0.000 2.115 378 R HA -0.164 4.175 4.340 -0.001 0.000 0.230 378 R C 2.349 178.505 176.300 -0.241 0.000 1.111 378 R CA 1.100 56.945 56.100 -0.426 0.000 0.976 378 R CB -0.244 29.669 30.300 -0.645 0.000 0.870 378 R HN 0.229 nan 8.270 nan 0.000 0.445 379 R N 1.341 121.722 120.500 -0.199 0.000 2.066 379 R HA -0.038 4.301 4.340 -0.001 0.000 0.232 379 R C 2.126 178.368 176.300 -0.096 0.000 1.131 379 R CA 1.253 57.278 56.100 -0.126 0.000 0.955 379 R CB -0.660 29.576 30.300 -0.105 0.000 0.851 379 R HN 0.137 nan 8.270 nan 0.000 0.432 380 L N 0.127 121.292 121.223 -0.098 0.000 2.042 380 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 380 L C 2.480 179.312 176.870 -0.064 0.000 1.076 380 L CA 1.281 56.079 54.840 -0.070 0.000 0.749 380 L CB -0.482 41.538 42.059 -0.065 0.000 0.893 380 L HN 0.270 nan 8.230 nan 0.000 0.432 381 L N -0.531 120.642 121.223 -0.082 0.000 2.046 381 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 381 L C 2.816 179.656 176.870 -0.051 0.000 1.077 381 L CA 1.194 55.996 54.840 -0.064 0.000 0.747 381 L CB -0.415 41.596 42.059 -0.082 0.000 0.896 381 L HN 0.262 nan 8.230 nan 0.000 0.432 382 A N -0.456 122.326 122.820 -0.063 0.000 1.940 382 A HA -0.192 4.128 4.320 -0.001 0.000 0.219 382 A C 1.996 179.559 177.584 -0.036 0.000 1.176 382 A CA 1.960 53.969 52.037 -0.047 0.000 0.631 382 A CB -0.781 18.187 19.000 -0.052 0.000 0.814 382 A HN 0.407 nan 8.150 nan 0.000 0.446 383 V N -3.713 116.179 119.914 -0.036 0.000 3.649 383 V HA 0.510 4.629 4.120 -0.001 0.000 0.275 383 V C 1.288 177.369 176.094 -0.022 0.000 1.281 383 V CA 0.661 62.944 62.300 -0.027 0.000 1.143 383 V CB -0.941 30.866 31.823 -0.026 0.000 0.892 383 V HN 1.540 nan 8.190 nan 0.000 0.441 384 G N 0.459 109.245 108.800 -0.024 0.000 2.198 384 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.260 384 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.260 384 G C 0.510 175.400 174.900 -0.016 0.000 1.025 384 G CA 0.442 45.532 45.100 -0.017 0.000 0.769 384 G HN 1.824 nan 8.290 nan 0.000 0.507 385 A N -0.679 122.129 122.820 -0.021 0.000 2.615 385 A HA 0.436 4.755 4.320 -0.001 0.000 0.230 385 A C 0.822 178.398 177.584 -0.013 0.000 1.062 385 A CA 1.386 53.412 52.037 -0.019 0.000 0.758 385 A CB 0.184 19.169 19.000 -0.025 0.000 0.995 385 A HN 0.667 nan 8.150 nan 0.000 0.511 386 K N 2.031 122.425 120.400 -0.011 0.000 2.920 386 K HA 0.291 4.611 4.320 -0.001 0.000 0.175 386 K C -2.523 174.073 176.600 -0.007 0.000 1.099 386 K CA -1.051 55.232 56.287 -0.007 0.000 0.939 386 K CB 1.071 33.568 32.500 -0.005 0.000 1.148 386 K HN 0.712 nan 8.250 nan 0.000 0.613 387 P HA 0.070 nan 4.420 nan 0.000 0.277 387 P C -0.608 176.688 177.300 -0.006 0.000 1.271 387 P CA -0.456 62.639 63.100 -0.008 0.000 0.795 387 P CB 0.673 32.366 31.700 -0.011 0.000 1.101 388 D N 0.485 120.881 120.400 -0.005 0.000 2.401 388 D HA -0.041 4.598 4.640 -0.001 0.000 0.254 388 D C 1.323 177.622 176.300 -0.003 0.000 1.192 388 D CA 0.077 54.074 54.000 -0.004 0.000 0.885 388 D CB 0.657 41.455 40.800 -0.004 0.000 1.147 388 D HN 0.336 nan 8.370 nan 0.000 0.478 389 R N 3.455 123.955 120.500 -0.001 0.000 2.139 389 R HA -0.212 4.127 4.340 -0.001 0.000 0.243 389 R C 1.721 178.021 176.300 0.000 0.000 1.145 389 R CA 1.845 57.945 56.100 0.000 0.000 0.976 389 R CB 0.023 30.323 30.300 0.001 0.000 0.866 389 R HN 0.518 nan 8.270 nan 0.000 0.449 390 A N 0.452 123.272 122.820 -0.001 0.000 1.874 390 A HA 0.054 4.374 4.320 -0.001 0.000 0.214 390 A C 2.351 179.934 177.584 -0.001 0.000 1.189 390 A CA 1.165 53.201 52.037 -0.001 0.000 0.615 390 A CB -0.758 18.241 19.000 -0.001 0.000 0.830 390 A HN 0.488 nan 8.150 nan 0.000 0.443 391 A N -0.681 122.138 122.820 -0.002 0.000 1.940 391 A HA -0.075 4.245 4.320 -0.001 0.000 0.219 391 A C 2.056 179.639 177.584 -0.003 0.000 1.176 391 A CA 1.768 53.803 52.037 -0.003 0.000 0.631 391 A CB -0.543 18.455 19.000 -0.005 0.000 0.814 391 A HN 0.432 nan 8.150 nan 0.000 0.446 392 L N -0.760 120.462 121.223 -0.002 0.000 2.093 392 L HA -0.051 4.289 4.340 -0.001 0.000 0.208 392 L C 2.806 179.678 176.870 0.003 0.000 1.085 392 L CA 1.848 56.687 54.840 -0.001 0.000 0.755 392 L CB -0.697 41.362 42.059 -0.000 0.000 0.904 392 L HN 0.384 nan 8.230 nan 0.000 0.435 393 A N -1.316 121.505 122.820 0.002 0.000 1.898 393 A HA -0.103 4.216 4.320 -0.001 0.000 0.214 393 A C 0.948 178.533 177.584 0.003 0.000 1.183 393 A CA 0.815 52.854 52.037 0.003 0.000 0.622 393 A CB -0.573 18.428 19.000 0.002 0.000 0.824 393 A HN 0.452 nan 8.150 nan 0.000 0.444 394 D N -0.301 120.099 120.400 0.001 0.000 2.256 394 D HA 0.358 4.998 4.640 -0.001 0.000 0.250 394 D C -2.663 173.638 176.300 0.001 0.000 1.093 394 D CA -2.190 51.810 54.000 0.001 0.000 0.882 394 D CB 0.620 41.420 40.800 -0.001 0.000 1.185 394 D HN -0.080 nan 8.370 nan 0.000 0.437 395 P HA 0.064 nan 4.420 nan 0.000 0.169 395 P C -1.074 176.225 177.300 -0.002 0.000 0.959 395 P CA 0.421 63.521 63.100 0.001 0.000 1.293 395 P CB -0.351 31.350 31.700 0.001 0.000 1.566 396 A N 2.248 125.067 122.820 -0.003 0.000 2.282 396 A HA 0.670 4.989 4.320 -0.001 0.000 0.324 396 A C 0.125 177.705 177.584 -0.007 0.000 1.119 396 A CA -0.403 51.630 52.037 -0.005 0.000 0.880 396 A CB 0.831 19.828 19.000 -0.006 0.000 1.294 396 A HN 0.184 nan 8.150 nan 0.000 0.493 397 T N 1.101 115.649 114.554 -0.009 0.000 2.733 397 T HA 0.223 4.572 4.350 -0.001 0.000 0.294 397 T C 0.260 174.951 174.700 -0.016 0.000 0.956 397 T CA -0.150 61.943 62.100 -0.012 0.000 0.987 397 T CB 0.535 69.396 68.868 -0.013 0.000 0.920 397 T HN 0.569 nan 8.240 nan 0.000 0.470 398 D N 2.865 123.254 120.400 -0.018 0.000 2.144 398 D HA -0.078 4.561 4.640 -0.001 0.000 0.199 398 D C 2.116 178.397 176.300 -0.031 0.000 0.984 398 D CA 0.741 54.726 54.000 -0.025 0.000 0.834 398 D CB 0.056 40.839 40.800 -0.029 0.000 0.955 398 D HN 0.396 nan 8.370 nan 0.000 0.465 399 L N 0.685 121.890 121.223 -0.030 0.000 2.043 399 L HA -0.302 4.037 4.340 -0.001 0.000 0.212 399 L C 2.813 179.666 176.870 -0.028 0.000 1.075 399 L CA 2.500 57.321 54.840 -0.032 0.000 0.752 399 L CB -0.237 41.806 42.059 -0.027 0.000 0.891 399 L HN 0.006 nan 8.230 nan 0.000 0.432 400 R N -0.110 120.377 120.500 -0.022 0.000 2.061 400 R HA -0.108 4.232 4.340 -0.001 0.000 0.230 400 R C 2.437 178.725 176.300 -0.020 0.000 1.140 400 R CA 2.251 58.340 56.100 -0.019 0.000 0.940 400 R CB -1.774 28.517 30.300 -0.015 0.000 0.839 400 R HN 0.481 nan 8.270 nan 0.000 0.429 401 K N 0.318 120.706 120.400 -0.020 0.000 2.063 401 K HA 0.168 4.487 4.320 -0.001 0.000 0.208 401 K C 2.823 179.408 176.600 -0.025 0.000 1.048 401 K CA 2.552 58.827 56.287 -0.020 0.000 0.928 401 K CB -1.762 30.726 32.500 -0.020 0.000 0.713 401 K HN 0.985 nan 8.250 nan 0.000 0.442 402 L N 0.331 121.535 121.223 -0.032 0.000 2.046 402 L HA 0.310 4.649 4.340 -0.001 0.000 0.208 402 L C 3.052 179.902 176.870 -0.032 0.000 1.077 402 L CA 2.919 57.736 54.840 -0.039 0.000 0.747 402 L CB -1.931 40.098 42.059 -0.050 0.000 0.896 402 L HN 0.739 nan 8.230 nan 0.000 0.432 403 A N -0.607 122.196 122.820 -0.028 0.000 1.865 403 A HA 0.047 4.366 4.320 -0.001 0.000 0.217 403 A C 2.842 180.414 177.584 -0.019 0.000 1.191 403 A CA 2.911 54.934 52.037 -0.023 0.000 0.623 403 A CB -1.139 17.850 19.000 -0.020 0.000 0.826 403 A HN 1.409 nan 8.150 nan 0.000 0.444 404 A N 0.164 122.973 122.820 -0.018 0.000 1.842 404 A HA 0.225 4.544 4.320 -0.001 0.000 0.217 404 A C 1.891 179.466 177.584 -0.015 0.000 1.206 404 A CA 1.933 53.961 52.037 -0.015 0.000 0.630 404 A CB -1.439 17.553 19.000 -0.013 0.000 0.839 404 A HN 1.366 nan 8.150 nan 0.000 0.447 405 A N 0.000 122.810 122.820 -0.017 0.000 2.254 405 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 405 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 405 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 405 A HN 0.000 nan 8.150 nan 0.000 0.486