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 1iwa_1_I DATA FIRST_RESID 6 DATA SEQUENCE TRIKNSRYES GVIPYAMGYW NPDYQVKDTD VLALFRVTPQ PGVDPIEAAA DATA SEQUENCE AVAGESSTAT WTVVWTDLLT AADLYRAKAY KVDQVPNNPE QYFAYIAYEL DATA SEQUENCE DLFEEGSIAN LTASIIGNVF GFKAVKALRL EDMRLPLAYL KTFQGPATGV DATA SEQUENCE ILERERLDKF GRPLLGCTTK PKLGLSGKNY GRVVYEALKG GLDFVKDDEN DATA SEQUENCE INSQPFMRWR ERYLFTMEAV NKASAATGEV KGHYLNVTAA TMEEMYARAN DATA SEQUENCE FAKELGSVII MIDXLVIGYT AIQTMAKWAR DNDMILHLHR AGNSTYSRQK DATA SEQUENCE NHGMNFRVIC KWMRMAGVDH IHAGTVVGKL EGDPIITRGF YKTLLLPKLE DATA SEQUENCE RNLQEGLFFD MEWASLRKVM PVASGGIHAG QMHQLIHYLG EDVVLQFGGG DATA SEQUENCE TIGHPDGIQA GATANRVALE AMILARNENR DYLTEGPEIL REAAKTCGAL DATA SEQUENCE RTALDLWKDI TFNYTSTDTS DFV 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.667 174.700 -0.056 0.000 1.109 6 T CA 0.000 62.075 62.100 -0.041 0.000 1.349 6 T CB 0.000 68.849 68.868 -0.032 0.000 0.612 7 R N 2.342 122.796 120.500 -0.077 0.000 2.577 7 R HA 0.547 4.887 4.340 -0.000 0.000 0.344 7 R C 0.707 176.927 176.300 -0.133 0.000 1.037 7 R CA -0.736 55.301 56.100 -0.105 0.000 1.102 7 R CB -0.380 29.843 30.300 -0.127 0.000 1.313 7 R HN 0.832 nan 8.270 nan 0.000 0.561 8 I N -0.002 120.508 120.570 -0.100 0.000 3.524 8 I HA -0.026 4.144 4.170 -0.000 0.000 0.239 8 I C 0.722 176.791 176.117 -0.079 0.000 1.291 8 I CA -0.056 61.187 61.300 -0.094 0.000 1.048 8 I CB 0.266 38.234 38.000 -0.053 0.000 1.528 8 I HN -0.090 nan 8.210 nan 0.000 0.814 9 K N 1.173 121.545 120.400 -0.047 0.000 2.288 9 K HA 0.396 4.716 4.320 -0.000 0.000 0.234 9 K C -0.325 176.277 176.600 0.003 0.000 1.037 9 K CA -0.519 55.761 56.287 -0.011 0.000 0.914 9 K CB 0.718 33.240 32.500 0.038 0.000 1.197 9 K HN 0.530 nan 8.250 nan 0.000 0.471 10 N N 0.451 119.161 118.700 0.017 0.000 2.657 10 N HA 0.066 4.806 4.740 -0.000 0.000 0.234 10 N C -1.497 174.021 175.510 0.013 0.000 1.433 10 N CA 0.321 53.376 53.050 0.009 0.000 1.078 10 N CB 0.057 38.544 38.487 0.000 0.000 1.508 10 N HN 0.607 nan 8.380 nan 0.000 0.547 11 S N -0.107 115.606 115.700 0.022 0.000 4.244 11 S HA 0.319 4.789 4.470 -0.000 0.000 0.239 11 S C 1.020 175.599 174.600 -0.035 0.000 1.097 11 S CA -0.259 57.946 58.200 0.009 0.000 1.376 11 S CB 1.357 64.584 63.200 0.045 0.000 1.691 11 S HN 0.102 nan 8.310 nan 0.000 0.661 12 R N 0.708 121.155 120.500 -0.088 0.000 2.119 12 R HA 0.244 4.584 4.340 -0.000 0.000 0.222 12 R C 0.256 176.310 176.300 -0.410 0.000 1.088 12 R CA 1.300 57.217 56.100 -0.304 0.000 0.984 12 R CB -0.971 29.028 30.300 -0.501 0.000 0.884 12 R HN 0.712 nan 8.270 nan 0.000 0.447 13 Y N 1.638 121.954 120.300 0.027 0.000 2.833 13 Y HA 0.263 4.813 4.550 0.000 0.000 0.339 13 Y C -0.517 175.416 175.900 0.056 0.000 1.032 13 Y CA -0.753 57.379 58.100 0.053 0.000 1.450 13 Y CB -0.157 38.364 38.460 0.102 0.000 1.296 13 Y HN 0.180 nan 8.280 nan 0.000 0.535 14 E N -0.612 119.647 120.200 0.099 0.000 2.216 14 E HA 0.401 4.751 4.350 -0.000 0.000 0.279 14 E C -0.426 176.200 176.600 0.042 0.000 0.997 14 E CA -0.807 55.633 56.400 0.067 0.000 0.817 14 E CB 1.139 30.855 29.700 0.028 0.000 1.096 14 E HN 0.023 nan 8.360 nan 0.000 0.393 15 S N 1.763 117.490 115.700 0.045 0.000 2.599 15 S HA 0.377 4.846 4.470 -0.000 0.000 0.303 15 S C 0.319 174.907 174.600 -0.020 0.000 1.267 15 S CA 0.636 58.844 58.200 0.013 0.000 1.055 15 S CB 0.178 63.389 63.200 0.019 0.000 0.790 15 S HN 0.898 nan 8.310 nan 0.000 0.500 16 G N 1.121 109.884 108.800 -0.062 0.000 2.321 16 G HA2 0.232 4.192 3.960 -0.000 0.000 0.339 16 G HA3 0.232 4.192 3.960 -0.000 0.000 0.339 16 G C -1.312 173.531 174.900 -0.095 0.000 1.518 16 G CA -0.999 44.066 45.100 -0.059 0.000 0.994 16 G HN 0.699 nan 8.290 nan 0.000 0.668 17 V N 1.325 121.203 119.914 -0.060 0.000 2.567 17 V HA 0.786 4.906 4.120 -0.000 0.000 0.289 17 V C 0.871 176.928 176.094 -0.062 0.000 1.049 17 V CA -0.029 62.232 62.300 -0.064 0.000 0.969 17 V CB 1.154 33.001 31.823 0.040 0.000 0.995 17 V HN 1.135 nan 8.190 nan 0.000 0.471 18 I N 1.818 122.328 120.570 -0.102 0.000 2.913 18 I HA 0.663 4.832 4.170 -0.000 0.000 0.302 18 I C -2.792 173.249 176.117 -0.127 0.000 1.246 18 I CA -2.484 58.764 61.300 -0.087 0.000 1.010 18 I CB 2.674 40.627 38.000 -0.079 0.000 1.259 18 I HN 0.422 nan 8.210 nan 0.000 0.434 19 P HA 0.018 nan 4.420 nan 0.000 0.264 19 P C -0.056 177.243 177.300 -0.001 0.000 1.193 19 P CA 0.333 63.408 63.100 -0.042 0.000 0.763 19 P CB 0.387 32.094 31.700 0.012 0.000 0.810 20 Y N 2.288 122.649 120.300 0.102 0.000 2.283 20 Y HA -0.192 4.358 4.550 -0.000 0.000 0.285 20 Y C 2.467 178.500 175.900 0.222 0.000 1.176 20 Y CA 1.782 59.983 58.100 0.168 0.000 1.229 20 Y CB -1.213 37.282 38.460 0.060 0.000 0.975 20 Y HN 0.441 nan 8.280 nan 0.000 0.537 21 A N -0.034 122.947 122.820 0.269 0.000 2.150 21 A HA 0.002 4.322 4.320 -0.000 0.000 0.220 21 A C 1.541 179.256 177.584 0.219 0.000 1.356 21 A CA 0.434 52.620 52.037 0.248 0.000 1.145 21 A CB -1.437 17.621 19.000 0.096 0.000 0.826 21 A HN 0.597 nan 8.150 nan 0.000 0.524 22 M N -2.556 117.070 119.600 0.043 0.000 2.731 22 M HA -0.379 4.101 4.480 -0.000 0.000 0.140 22 M C 1.318 177.434 176.300 -0.308 0.000 0.698 22 M CA 1.626 56.892 55.300 -0.056 0.000 0.486 22 M CB -1.403 31.305 32.600 0.180 0.000 1.804 22 M HN 1.344 nan 8.290 nan 0.000 0.378 23 G N -2.138 106.515 108.800 -0.244 0.000 2.154 23 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.186 23 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.186 23 G C 0.003 174.665 174.900 -0.395 0.000 1.000 23 G CA 0.102 45.005 45.100 -0.328 0.000 0.664 23 G HN 0.502 nan 8.290 nan 0.000 0.513 24 Y N -0.679 119.675 120.300 0.090 0.000 2.466 24 Y HA 0.365 4.915 4.550 -0.000 0.000 0.272 24 Y C 1.280 177.286 175.900 0.176 0.000 1.169 24 Y CA -0.318 57.833 58.100 0.084 0.000 1.285 24 Y CB 0.415 38.932 38.460 0.096 0.000 1.078 24 Y HN 0.466 nan 8.280 nan 0.000 0.523 25 W N 2.001 123.350 121.300 0.082 0.000 2.499 25 W HA 0.380 5.040 4.660 -0.000 0.000 0.320 25 W C -1.162 175.391 176.519 0.057 0.000 1.010 25 W CA -0.734 56.654 57.345 0.071 0.000 1.267 25 W CB 1.170 30.672 29.460 0.069 0.000 1.316 25 W HN -0.179 nan 8.180 nan 0.000 0.431 26 N N 8.613 126.953 118.700 -0.601 0.000 2.707 26 N HA 0.147 4.887 4.740 -0.000 0.000 0.249 26 N C -1.660 173.504 175.510 -0.577 0.000 1.299 26 N CA -1.467 51.265 53.050 -0.531 0.000 0.769 26 N CB 1.491 39.872 38.487 -0.177 0.000 1.236 26 N HN 0.187 nan 8.380 nan 0.000 0.524 27 P HA -0.056 nan 4.420 nan 0.000 0.223 27 P C 0.030 177.232 177.300 -0.165 0.000 1.144 27 P CA 1.036 63.818 63.100 -0.530 0.000 0.783 27 P CB 0.565 32.025 31.700 -0.400 0.000 0.771 28 D N -2.189 118.124 120.400 -0.146 0.000 2.349 28 D HA 0.007 4.646 4.640 -0.000 0.000 0.214 28 D C 0.486 176.755 176.300 -0.052 0.000 1.063 28 D CA -0.345 53.611 54.000 -0.073 0.000 0.847 28 D CB -0.724 40.034 40.800 -0.070 0.000 0.933 28 D HN 0.159 nan 8.370 nan 0.000 0.513 29 Y N 2.459 122.674 120.300 -0.141 0.000 2.717 29 Y HA -0.034 4.516 4.550 -0.000 0.000 0.330 29 Y C 0.227 176.012 175.900 -0.191 0.000 1.217 29 Y CA 0.168 58.178 58.100 -0.150 0.000 1.506 29 Y CB 0.383 38.759 38.460 -0.141 0.000 1.268 29 Y HN -0.185 nan 8.280 nan 0.000 0.561 30 Q N 6.223 125.438 119.800 -0.975 0.000 2.430 30 Q HA 0.259 4.599 4.340 -0.000 0.000 0.245 30 Q C -0.515 174.837 176.000 -1.079 0.000 1.021 30 Q CA -0.545 54.799 55.803 -0.765 0.000 0.867 30 Q CB 0.993 29.460 28.738 -0.451 0.000 1.210 30 Q HN 0.570 nan 8.270 nan 0.000 0.487 31 V N 3.357 122.800 119.914 -0.786 0.000 2.720 31 V HA -0.113 4.007 4.120 -0.000 0.000 0.307 31 V C 0.763 176.687 176.094 -0.284 0.000 1.071 31 V CA 0.683 62.703 62.300 -0.468 0.000 1.199 31 V CB -0.027 31.609 31.823 -0.311 0.000 0.900 31 V HN 0.517 nan 8.190 nan 0.000 0.494 32 K N 3.226 123.547 120.400 -0.133 0.000 2.118 32 K HA 0.345 4.665 4.320 -0.000 0.000 0.254 32 K C 0.224 176.806 176.600 -0.030 0.000 0.961 32 K CA -0.853 55.391 56.287 -0.071 0.000 0.876 32 K CB 1.046 33.540 32.500 -0.010 0.000 1.077 32 K HN 0.470 nan 8.250 nan 0.000 0.440 33 D N 0.695 121.079 120.400 -0.026 0.000 2.350 33 D HA -0.103 4.536 4.640 -0.000 0.000 0.216 33 D C 1.434 177.734 176.300 0.001 0.000 0.968 33 D CA 1.290 55.280 54.000 -0.016 0.000 0.894 33 D CB 0.037 40.828 40.800 -0.014 0.000 0.909 33 D HN 0.676 nan 8.370 nan 0.000 0.520 34 T N -2.585 111.981 114.554 0.021 0.000 3.060 34 T HA 0.023 4.373 4.350 -0.000 0.000 0.249 34 T C 0.575 175.306 174.700 0.052 0.000 1.079 34 T CA -0.430 61.696 62.100 0.043 0.000 1.013 34 T CB 0.328 69.232 68.868 0.061 0.000 0.975 34 T HN -0.196 nan 8.240 nan 0.000 0.518 35 D N 1.846 122.282 120.400 0.059 0.000 2.372 35 D HA 0.305 4.945 4.640 -0.000 0.000 0.243 35 D C -0.231 176.087 176.300 0.029 0.000 1.121 35 D CA -0.228 53.832 54.000 0.099 0.000 0.898 35 D CB 1.588 42.478 40.800 0.150 0.000 1.202 35 D HN 0.053 nan 8.370 nan 0.000 0.428 36 V N 2.821 122.770 119.914 0.059 0.000 2.439 36 V HA 0.272 4.391 4.120 -0.000 0.000 0.282 36 V C 0.367 176.494 176.094 0.055 0.000 1.039 36 V CA -0.563 61.671 62.300 -0.109 0.000 0.913 36 V CB 0.958 32.538 31.823 -0.404 0.000 0.983 36 V HN 0.254 nan 8.190 nan 0.000 0.460 37 L N 4.467 125.608 121.223 -0.137 0.000 2.334 37 L HA 0.914 5.254 4.340 -0.000 0.000 0.276 37 L C 0.041 176.843 176.870 -0.114 0.000 1.014 37 L CA -0.526 54.260 54.840 -0.090 0.000 0.815 37 L CB 1.849 43.620 42.059 -0.480 0.000 1.268 37 L HN 0.704 nan 8.230 nan 0.000 0.428 38 A N 3.014 125.969 122.820 0.226 0.000 2.414 38 A HA 0.815 5.135 4.320 -0.000 0.000 0.306 38 A C -1.561 176.108 177.584 0.142 0.000 1.054 38 A CA -0.465 51.644 52.037 0.120 0.000 0.724 38 A CB 1.947 21.001 19.000 0.089 0.000 1.267 38 A HN 0.581 nan 8.150 nan 0.000 0.418 39 L N 1.792 122.921 121.223 -0.155 0.000 2.349 39 L HA 0.816 5.156 4.340 -0.000 0.000 0.278 39 L C -1.782 174.796 176.870 -0.488 0.000 0.996 39 L CA -0.175 54.402 54.840 -0.438 0.000 0.825 39 L CB 0.758 42.256 42.059 -0.935 0.000 1.243 39 L HN 0.577 nan 8.230 nan 0.000 0.412 40 F N 3.597 123.452 119.950 -0.158 0.000 2.480 40 F HA 0.563 5.090 4.527 -0.000 0.000 0.329 40 F C 0.333 176.145 175.800 0.019 0.000 1.091 40 F CA -0.582 57.379 58.000 -0.065 0.000 0.972 40 F CB 1.537 40.494 39.000 -0.073 0.000 1.150 40 F HN 0.367 nan 8.300 nan 0.000 0.467 41 R N 3.059 123.718 120.500 0.266 0.000 2.204 41 R HA 0.554 4.894 4.340 -0.000 0.000 0.341 41 R C -1.730 174.654 176.300 0.141 0.000 1.035 41 R CA -0.262 55.980 56.100 0.236 0.000 0.887 41 R CB 0.474 30.920 30.300 0.243 0.000 1.114 41 R HN 0.549 nan 8.270 nan 0.000 0.473 42 V N 3.776 123.754 119.914 0.107 0.000 2.427 42 V HA 0.312 4.432 4.120 -0.000 0.000 0.286 42 V C 0.091 176.244 176.094 0.099 0.000 1.034 42 V CA -0.489 61.847 62.300 0.060 0.000 0.893 42 V CB 1.854 33.676 31.823 -0.000 0.000 0.982 42 V HN 0.718 nan 8.190 nan 0.000 0.452 43 T N 6.851 121.448 114.554 0.071 0.000 3.060 43 T HA 0.331 4.681 4.350 -0.000 0.000 0.367 43 T C -2.559 172.172 174.700 0.053 0.000 1.229 43 T CA -0.961 61.193 62.100 0.089 0.000 1.104 43 T CB 1.187 70.103 68.868 0.080 0.000 1.083 43 T HN 0.517 nan 8.240 nan 0.000 0.524 44 P HA 0.138 nan 4.420 nan 0.000 0.274 44 P C -0.276 177.031 177.300 0.012 0.000 1.231 44 P CA -0.564 62.529 63.100 -0.011 0.000 0.790 44 P CB 0.859 32.507 31.700 -0.087 0.000 0.951 45 Q N 1.928 121.733 119.800 0.008 0.000 2.392 45 Q HA 0.166 4.506 4.340 -0.000 0.000 0.262 45 Q C -1.756 174.246 176.000 0.003 0.000 1.003 45 Q CA -1.355 54.453 55.803 0.008 0.000 0.888 45 Q CB -0.376 28.364 28.738 0.003 0.000 1.260 45 Q HN 0.405 nan 8.270 nan 0.000 0.435 46 P HA -0.093 nan 4.420 nan 0.000 0.262 46 P C 0.525 177.823 177.300 -0.003 0.000 1.182 46 P CA 1.089 64.192 63.100 0.005 0.000 0.761 46 P CB 0.473 32.176 31.700 0.006 0.000 0.795 47 G N 1.753 110.549 108.800 -0.006 0.000 2.258 47 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.233 47 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.233 47 G C -0.039 174.849 174.900 -0.021 0.000 1.006 47 G CA -0.088 45.005 45.100 -0.011 0.000 0.620 47 G HN 0.556 nan 8.290 nan 0.000 0.511 48 V N 2.484 122.383 119.914 -0.026 0.000 2.455 48 V HA 0.406 4.526 4.120 -0.000 0.000 0.273 48 V C 0.461 176.501 176.094 -0.089 0.000 1.045 48 V CA -0.237 62.038 62.300 -0.040 0.000 0.976 48 V CB 1.515 33.322 31.823 -0.027 0.000 0.993 48 V HN 0.406 nan 8.190 nan 0.000 0.475 49 D N 8.881 129.220 120.400 -0.103 0.000 2.382 49 D HA 0.090 4.730 4.640 -0.000 0.000 0.259 49 D C -0.880 175.260 176.300 -0.267 0.000 1.224 49 D CA -1.792 52.109 54.000 -0.166 0.000 0.894 49 D CB 1.550 42.263 40.800 -0.145 0.000 1.127 49 D HN 0.251 nan 8.370 nan 0.000 0.487 50 P HA -0.223 nan 4.420 nan 0.000 0.218 50 P C 1.784 178.790 177.300 -0.489 0.000 1.154 50 P CA 1.209 63.926 63.100 -0.638 0.000 0.872 50 P CB 0.265 31.204 31.700 -1.269 0.000 0.790 51 I N -0.516 119.756 120.570 -0.497 0.000 2.394 51 I HA -0.200 3.970 4.170 -0.000 0.000 0.251 51 I C 2.687 178.528 176.117 -0.461 0.000 1.136 51 I CA 1.415 62.322 61.300 -0.654 0.000 1.425 51 I CB -0.525 36.908 38.000 -0.945 0.000 1.079 51 I HN 0.009 nan 8.210 nan 0.000 0.425 52 E N 1.669 121.691 120.200 -0.297 0.000 2.072 52 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 52 E C 2.109 178.644 176.600 -0.108 0.000 0.982 52 E CA 1.574 57.895 56.400 -0.132 0.000 0.803 52 E CB -0.112 29.551 29.700 -0.061 0.000 0.755 52 E HN 0.369 nan 8.360 nan 0.000 0.453 53 A N 0.966 123.687 122.820 -0.165 0.000 1.902 53 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 53 A C 2.462 179.903 177.584 -0.239 0.000 1.181 53 A CA 2.004 53.938 52.037 -0.173 0.000 0.623 53 A CB -1.068 17.829 19.000 -0.172 0.000 0.818 53 A HN 0.400 nan 8.150 nan 0.000 0.443 54 A N -0.000 122.685 122.820 -0.224 0.000 1.883 54 A HA 0.111 4.431 4.320 -0.000 0.000 0.217 54 A C 2.512 180.011 177.584 -0.141 0.000 1.186 54 A CA 2.267 54.203 52.037 -0.168 0.000 0.624 54 A CB -1.095 17.842 19.000 -0.106 0.000 0.822 54 A HN 1.120 nan 8.150 nan 0.000 0.444 55 A N -0.440 122.334 122.820 -0.077 0.000 1.972 55 A HA 0.211 4.531 4.320 -0.000 0.000 0.219 55 A C 2.429 179.853 177.584 -0.267 0.000 1.169 55 A CA 1.896 53.945 52.037 0.020 0.000 0.635 55 A CB -0.835 18.288 19.000 0.204 0.000 0.810 55 A HN 1.029 nan 8.150 nan 0.000 0.446 56 A N -0.467 122.090 122.820 -0.439 0.000 1.898 56 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 56 A C 2.180 179.138 177.584 -1.044 0.000 1.181 56 A CA 1.728 53.148 52.037 -1.029 0.000 0.620 56 A CB -0.788 17.803 19.000 -0.681 0.000 0.819 56 A HN 0.393 nan 8.150 nan 0.000 0.442 57 V N -0.163 119.319 119.914 -0.721 0.000 2.358 57 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 57 V C 3.005 178.787 176.094 -0.520 0.000 1.047 57 V CA 1.723 63.604 62.300 -0.697 0.000 1.035 57 V CB -1.313 30.073 31.823 -0.729 0.000 0.658 57 V HN 0.593 nan 8.190 nan 0.000 0.452 58 A N 0.879 123.464 122.820 -0.392 0.000 1.858 58 A HA -0.079 4.240 4.320 -0.000 0.000 0.216 58 A C 2.428 179.778 177.584 -0.391 0.000 1.190 58 A CA 2.080 53.957 52.037 -0.267 0.000 0.617 58 A CB -1.352 17.592 19.000 -0.093 0.000 0.827 58 A HN 0.498 nan 8.150 nan 0.000 0.443 59 G N -0.690 107.673 108.800 -0.729 0.000 2.453 59 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.215 59 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.215 59 G C 1.349 175.834 174.900 -0.692 0.000 1.201 59 G CA 0.939 45.272 45.100 -1.279 0.000 0.784 59 G HN 0.434 nan 8.290 nan 0.000 0.545 60 E N 0.958 120.755 120.200 -0.670 0.000 2.333 60 E HA -0.086 4.264 4.350 -0.000 0.000 0.198 60 E C 2.658 179.134 176.600 -0.208 0.000 1.007 60 E CA 1.123 57.283 56.400 -0.400 0.000 0.845 60 E CB -0.134 29.226 29.700 -0.567 0.000 0.766 60 E HN 0.574 nan 8.360 nan 0.000 0.507 61 S N -1.033 114.562 115.700 -0.175 0.000 2.597 61 S HA 0.128 4.598 4.470 -0.000 0.000 0.224 61 S C 1.388 176.084 174.600 0.160 0.000 0.955 61 S CA 0.391 58.615 58.200 0.041 0.000 0.933 61 S CB 0.251 63.547 63.200 0.160 0.000 0.788 61 S HN 0.157 nan 8.310 nan 0.000 0.488 62 S N 1.350 117.075 115.700 0.041 0.000 4.238 62 S HA 0.188 4.658 4.470 -0.000 0.000 0.167 62 S C 1.382 176.006 174.600 0.040 0.000 0.921 62 S CA 0.573 58.822 58.200 0.083 0.000 1.128 62 S CB -0.177 63.085 63.200 0.103 0.000 1.636 62 S HN 0.562 nan 8.310 nan 0.000 0.753 63 T N -0.591 114.010 114.554 0.079 0.000 2.986 63 T HA 0.642 4.992 4.350 -0.000 0.000 0.264 63 T C 0.700 175.476 174.700 0.128 0.000 0.964 63 T CA 0.448 62.616 62.100 0.113 0.000 0.895 63 T CB -0.006 68.980 68.868 0.197 0.000 1.163 63 T HN 0.750 nan 8.240 nan 0.000 0.517 64 A N 1.203 124.057 122.820 0.056 0.000 2.310 64 A HA 0.706 5.026 4.320 -0.000 0.000 0.260 64 A C 0.475 178.127 177.584 0.114 0.000 1.112 64 A CA 0.125 52.211 52.037 0.083 0.000 0.804 64 A CB 0.340 19.218 19.000 -0.204 0.000 1.081 64 A HN 0.514 nan 8.150 nan 0.000 0.499 65 T N -1.976 112.694 114.554 0.194 0.000 2.731 65 T HA 0.423 4.773 4.350 -0.000 0.000 0.300 65 T C 0.410 175.272 174.700 0.269 0.000 1.283 65 T CA 0.118 62.349 62.100 0.219 0.000 1.005 65 T CB 0.387 69.303 68.868 0.079 0.000 1.420 65 T HN 1.023 nan 8.240 nan 0.000 0.503 66 W N 0.963 122.360 121.300 0.160 0.000 2.519 66 W HA 0.264 4.924 4.660 -0.000 0.000 0.266 66 W C 0.353 176.859 176.519 -0.023 0.000 1.253 66 W CA 0.857 58.255 57.345 0.087 0.000 1.274 66 W CB -1.102 28.413 29.460 0.090 0.000 1.114 66 W HN 0.610 nan 8.180 nan 0.000 0.596 67 T N 1.030 115.121 114.554 -0.772 0.000 2.900 67 T HA 0.430 4.779 4.350 -0.000 0.000 0.295 67 T C -0.529 173.932 174.700 -0.398 0.000 1.044 67 T CA -0.520 61.143 62.100 -0.728 0.000 0.995 67 T CB 2.133 70.189 68.868 -1.353 0.000 1.072 67 T HN -0.196 nan 8.240 nan 0.000 0.473 68 V N 4.671 124.446 119.914 -0.231 0.000 2.617 68 V HA 0.273 4.393 4.120 -0.000 0.000 0.304 68 V C 0.431 176.504 176.094 -0.035 0.000 1.040 68 V CA 0.169 62.418 62.300 -0.085 0.000 1.149 68 V CB 0.583 32.378 31.823 -0.046 0.000 0.914 68 V HN 0.712 nan 8.190 nan 0.000 0.487 69 V N 4.286 124.223 119.914 0.038 0.000 2.531 69 V HA 0.428 4.548 4.120 -0.000 0.000 0.301 69 V C 0.648 176.788 176.094 0.077 0.000 1.034 69 V CA -0.897 61.404 62.300 0.003 0.000 0.865 69 V CB 1.592 33.343 31.823 -0.121 0.000 0.995 69 V HN 0.994 nan 8.190 nan 0.000 0.424 70 W N 3.096 124.421 121.300 0.040 0.000 2.465 70 W HA -0.089 4.571 4.660 -0.000 0.000 0.268 70 W C 1.380 177.817 176.519 -0.136 0.000 1.242 70 W CA 1.294 58.613 57.345 -0.044 0.000 1.248 70 W CB -1.631 27.809 29.460 -0.034 0.000 1.118 70 W HN 0.765 nan 8.180 nan 0.000 0.587 71 T N -0.744 113.241 114.554 -0.949 0.000 2.946 71 T HA -0.269 4.081 4.350 -0.000 0.000 0.271 71 T C 1.017 175.483 174.700 -0.389 0.000 1.104 71 T CA 1.845 63.396 62.100 -0.916 0.000 1.114 71 T CB -0.644 67.745 68.868 -0.800 0.000 0.867 71 T HN -0.050 nan 8.240 nan 0.000 0.513 72 D N 1.164 121.406 120.400 -0.262 0.000 2.149 72 D HA -0.035 4.605 4.640 -0.000 0.000 0.198 72 D C 1.812 177.973 176.300 -0.232 0.000 0.990 72 D CA 0.523 54.431 54.000 -0.152 0.000 0.839 72 D CB -0.295 40.512 40.800 0.011 0.000 0.948 72 D HN 0.251 nan 8.370 nan 0.000 0.460 73 L N 0.162 121.164 121.223 -0.369 0.000 2.450 73 L HA -0.077 4.263 4.340 -0.000 0.000 0.224 73 L C 1.837 178.650 176.870 -0.095 0.000 1.149 73 L CA 0.933 55.609 54.840 -0.273 0.000 0.816 73 L CB -0.871 41.064 42.059 -0.207 0.000 0.932 73 L HN 0.237 nan 8.230 nan 0.000 0.449 74 L N -1.051 120.123 121.223 -0.082 0.000 2.558 74 L HA 0.021 4.360 4.340 -0.000 0.000 0.225 74 L C 1.187 178.051 176.870 -0.010 0.000 1.128 74 L CA 0.160 54.980 54.840 -0.033 0.000 0.868 74 L CB -0.245 41.778 42.059 -0.061 0.000 1.006 74 L HN 0.364 nan 8.230 nan 0.000 0.454 75 T N -4.141 110.411 114.554 -0.002 0.000 2.883 75 T HA 0.623 4.973 4.350 -0.000 0.000 0.284 75 T C 0.089 174.795 174.700 0.009 0.000 1.041 75 T CA -0.370 61.780 62.100 0.083 0.000 1.007 75 T CB 2.131 71.126 68.868 0.212 0.000 1.220 75 T HN -0.081 nan 8.240 nan 0.000 0.552 76 A N 0.319 123.096 122.820 -0.073 0.000 3.202 76 A HA 0.691 5.011 4.320 -0.000 0.000 0.258 76 A C 1.876 179.238 177.584 -0.369 0.000 1.572 76 A CA 0.105 51.972 52.037 -0.283 0.000 1.241 76 A CB -1.521 17.212 19.000 -0.446 0.000 1.127 76 A HN 1.277 nan 8.150 nan 0.000 0.648 77 A N 0.792 123.556 122.820 -0.095 0.000 1.909 77 A HA -0.311 4.009 4.320 -0.000 0.000 0.221 77 A C 1.764 179.307 177.584 -0.069 0.000 1.223 77 A CA 2.516 54.558 52.037 0.008 0.000 0.658 77 A CB -0.692 18.349 19.000 0.069 0.000 0.831 77 A HN 0.554 nan 8.150 nan 0.000 0.462 78 D N -0.529 119.814 120.400 -0.094 0.000 2.160 78 D HA -0.202 4.438 4.640 -0.000 0.000 0.189 78 D C 1.842 178.063 176.300 -0.133 0.000 1.003 78 D CA 1.462 55.399 54.000 -0.105 0.000 0.846 78 D CB -0.404 40.344 40.800 -0.085 0.000 0.949 78 D HN 0.321 nan 8.370 nan 0.000 0.446 79 L N -0.182 120.910 121.223 -0.218 0.000 2.017 79 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 79 L C 1.943 178.734 176.870 -0.133 0.000 1.073 79 L CA 1.784 56.489 54.840 -0.225 0.000 0.745 79 L CB -0.803 41.032 42.059 -0.372 0.000 0.894 79 L HN 0.131 nan 8.230 nan 0.000 0.432 80 Y N 0.560 120.849 120.300 -0.018 0.000 2.373 80 Y HA 0.001 4.551 4.550 -0.000 0.000 0.293 80 Y C 1.400 177.298 175.900 -0.003 0.000 1.129 80 Y CA -0.134 57.955 58.100 -0.017 0.000 1.226 80 Y CB -0.673 37.777 38.460 -0.017 0.000 1.000 80 Y HN 0.150 nan 8.280 nan 0.000 0.549 81 R N 0.896 121.470 120.500 0.122 0.000 2.522 81 R HA 0.358 4.698 4.340 -0.000 0.000 0.284 81 R C 0.309 176.628 176.300 0.031 0.000 1.032 81 R CA 0.068 56.245 56.100 0.128 0.000 1.049 81 R CB 0.382 30.615 30.300 -0.112 0.000 0.956 81 R HN 0.101 nan 8.270 nan 0.000 0.422 82 A N 3.784 126.641 122.820 0.061 0.000 2.304 82 A HA 0.317 4.637 4.320 -0.000 0.000 0.271 82 A C -0.360 177.146 177.584 -0.130 0.000 1.091 82 A CA -0.513 51.397 52.037 -0.211 0.000 0.812 82 A CB 0.541 19.192 19.000 -0.582 0.000 1.056 82 A HN 0.649 nan 8.150 nan 0.000 0.489 83 K N 0.958 121.198 120.400 -0.267 0.000 2.443 83 K HA 0.644 4.964 4.320 -0.000 0.000 0.252 83 K C -0.895 175.722 176.600 0.028 0.000 0.933 83 K CA -0.360 55.842 56.287 -0.142 0.000 0.792 83 K CB 1.725 34.031 32.500 -0.324 0.000 1.185 83 K HN 0.709 nan 8.250 nan 0.000 0.425 84 A N 2.984 125.899 122.820 0.159 0.000 2.362 84 A HA 0.389 4.708 4.320 -0.000 0.000 0.276 84 A C -0.150 177.569 177.584 0.225 0.000 1.153 84 A CA -0.447 51.747 52.037 0.263 0.000 0.813 84 A CB -0.403 18.832 19.000 0.392 0.000 1.081 84 A HN 0.837 nan 8.150 nan 0.000 0.507 85 Y N 0.545 120.933 120.300 0.147 0.000 2.500 85 Y HA 0.552 5.101 4.550 -0.000 0.000 0.246 85 Y C 0.202 176.147 175.900 0.076 0.000 1.146 85 Y CA -0.475 57.610 58.100 -0.024 0.000 1.230 85 Y CB 0.163 38.680 38.460 0.096 0.000 1.214 85 Y HN 0.493 nan 8.280 nan 0.000 0.526 86 K N 1.188 121.584 120.400 -0.007 0.000 2.587 86 K HA 0.575 4.895 4.320 -0.000 0.000 0.256 86 K C -2.353 174.456 176.600 0.348 0.000 0.974 86 K CA -0.524 55.863 56.287 0.167 0.000 0.855 86 K CB 2.214 34.666 32.500 -0.081 0.000 1.292 86 K HN -0.024 nan 8.250 nan 0.000 0.444 87 V N 3.336 123.483 119.914 0.388 0.000 2.588 87 V HA 0.539 4.659 4.120 -0.000 0.000 0.304 87 V C -1.129 175.156 176.094 0.317 0.000 1.042 87 V CA -0.731 61.757 62.300 0.314 0.000 0.877 87 V CB 2.004 33.915 31.823 0.147 0.000 0.996 87 V HN 0.789 nan 8.190 nan 0.000 0.425 88 D N 2.204 122.816 120.400 0.353 0.000 2.857 88 D HA 0.278 4.917 4.640 -0.000 0.000 0.227 88 D C -0.687 175.731 176.300 0.197 0.000 1.192 88 D CA -0.491 53.691 54.000 0.303 0.000 0.857 88 D CB 2.414 43.423 40.800 0.348 0.000 1.645 88 D HN 0.543 nan 8.370 nan 0.000 0.482 89 Q N 0.793 120.607 119.800 0.023 0.000 2.352 89 Q HA 0.254 4.594 4.340 -0.000 0.000 0.260 89 Q C -0.474 175.341 176.000 -0.307 0.000 0.976 89 Q CA -0.430 55.150 55.803 -0.372 0.000 0.881 89 Q CB 1.035 29.522 28.738 -0.417 0.000 1.235 89 Q HN 0.240 nan 8.270 nan 0.000 0.419 90 V N 7.270 126.868 119.914 -0.527 0.000 2.529 90 V HA -0.035 4.085 4.120 -0.000 0.000 0.292 90 V C -1.476 174.425 176.094 -0.321 0.000 1.028 90 V CA -0.825 61.149 62.300 -0.545 0.000 1.074 90 V CB 0.639 32.058 31.823 -0.675 0.000 0.958 90 V HN 0.903 nan 8.190 nan 0.000 0.481 91 P HA -0.272 nan 4.420 nan 0.000 0.230 91 P C 0.911 178.101 177.300 -0.183 0.000 1.124 91 P CA 2.483 65.441 63.100 -0.237 0.000 0.985 91 P CB 0.064 31.510 31.700 -0.423 0.000 0.774 92 N N -4.182 114.405 118.700 -0.187 0.000 2.397 92 N HA 0.002 4.742 4.740 -0.000 0.000 0.190 92 N C 0.359 175.787 175.510 -0.135 0.000 1.099 92 N CA -0.226 52.743 53.050 -0.135 0.000 0.876 92 N CB 0.025 38.447 38.487 -0.107 0.000 1.143 92 N HN 0.015 nan 8.380 nan 0.000 0.468 93 N N 2.677 121.276 118.700 -0.168 0.000 2.469 93 N HA 0.126 4.866 4.740 -0.000 0.000 0.239 93 N C -1.985 173.388 175.510 -0.228 0.000 1.053 93 N CA -1.811 51.143 53.050 -0.161 0.000 0.937 93 N CB 1.137 39.539 38.487 -0.141 0.000 1.163 93 N HN 0.113 nan 8.380 nan 0.000 0.509 94 P HA -0.044 nan 4.420 nan 0.000 0.239 94 P C 0.258 177.399 177.300 -0.264 0.000 1.184 94 P CA 0.886 63.836 63.100 -0.251 0.000 0.760 94 P CB 0.504 32.120 31.700 -0.141 0.000 0.884 95 E N -0.537 119.558 120.200 -0.175 0.000 2.400 95 E HA 0.024 4.374 4.350 -0.000 0.000 0.195 95 E C 0.551 177.132 176.600 -0.032 0.000 1.012 95 E CA 0.241 56.609 56.400 -0.053 0.000 0.875 95 E CB 0.213 29.903 29.700 -0.016 0.000 0.859 95 E HN 0.524 nan 8.360 nan 0.000 0.498 96 Q N 0.106 119.774 119.800 -0.221 0.000 2.309 96 Q HA 0.446 4.785 4.340 -0.000 0.000 0.264 96 Q C -1.314 174.440 176.000 -0.411 0.000 1.008 96 Q CA -0.608 55.093 55.803 -0.170 0.000 0.853 96 Q CB 1.633 30.251 28.738 -0.200 0.000 1.314 96 Q HN 0.005 nan 8.270 nan 0.000 0.448 97 Y N 0.296 120.468 120.300 -0.214 0.000 2.499 97 Y HA 0.474 5.024 4.550 -0.000 0.000 0.347 97 Y C -0.813 174.992 175.900 -0.158 0.000 0.987 97 Y CA -1.240 56.744 58.100 -0.192 0.000 1.044 97 Y CB 1.163 39.577 38.460 -0.077 0.000 1.245 97 Y HN 0.503 nan 8.280 nan 0.000 0.461 98 F N 1.840 121.881 119.950 0.152 0.000 2.405 98 F HA 0.662 5.189 4.527 -0.000 0.000 0.355 98 F C 0.294 176.104 175.800 0.016 0.000 1.121 98 F CA -1.235 56.768 58.000 0.004 0.000 1.112 98 F CB 0.852 39.835 39.000 -0.028 0.000 1.126 98 F HN 0.517 nan 8.300 nan 0.000 0.481 99 A N 4.397 127.308 122.820 0.153 0.000 2.318 99 A HA 0.686 5.005 4.320 -0.000 0.000 0.317 99 A C -1.696 175.889 177.584 0.002 0.000 1.159 99 A CA -0.528 51.591 52.037 0.136 0.000 0.799 99 A CB 0.282 19.366 19.000 0.140 0.000 1.194 99 A HN 0.580 nan 8.150 nan 0.000 0.479 100 Y N 1.945 122.211 120.300 -0.057 0.000 2.326 100 Y HA 0.568 5.118 4.550 -0.000 0.000 0.337 100 Y C 0.160 175.973 175.900 -0.145 0.000 1.023 100 Y CA -0.238 57.765 58.100 -0.162 0.000 1.143 100 Y CB 1.196 39.303 38.460 -0.589 0.000 1.183 100 Y HN 0.472 nan 8.280 nan 0.000 0.485 101 I N 3.050 123.834 120.570 0.356 0.000 2.465 101 I HA 0.661 4.831 4.170 -0.000 0.000 0.291 101 I C -0.497 175.891 176.117 0.453 0.000 1.014 101 I CA -1.090 60.419 61.300 0.347 0.000 1.093 101 I CB 1.877 40.040 38.000 0.271 0.000 1.267 101 I HN 0.634 nan 8.210 nan 0.000 0.431 102 A N 6.013 129.005 122.820 0.286 0.000 2.304 102 A HA 0.789 5.109 4.320 -0.000 0.000 0.323 102 A C -1.537 176.016 177.584 -0.051 0.000 1.195 102 A CA -0.256 51.902 52.037 0.202 0.000 0.826 102 A CB 0.457 19.532 19.000 0.125 0.000 1.184 102 A HN 0.568 nan 8.150 nan 0.000 0.496 103 Y N 0.562 120.952 120.300 0.150 0.000 2.376 103 Y HA 0.464 5.014 4.550 -0.000 0.000 0.340 103 Y C 0.343 176.364 175.900 0.200 0.000 0.965 103 Y CA -1.017 57.196 58.100 0.188 0.000 1.078 103 Y CB 1.581 40.269 38.460 0.380 0.000 1.193 103 Y HN 0.833 nan 8.280 nan 0.000 0.452 104 E N 2.782 123.139 120.200 0.263 0.000 2.414 104 E HA 0.012 4.362 4.350 -0.000 0.000 0.263 104 E C 0.692 177.444 176.600 0.253 0.000 1.000 104 E CA 0.158 56.685 56.400 0.212 0.000 0.914 104 E CB 0.708 30.508 29.700 0.167 0.000 0.948 104 E HN 0.850 nan 8.360 nan 0.000 0.444 105 L N 3.484 124.836 121.223 0.215 0.000 2.043 105 L HA -0.236 4.103 4.340 -0.000 0.000 0.212 105 L C 0.799 177.791 176.870 0.204 0.000 1.075 105 L CA 1.916 56.886 54.840 0.216 0.000 0.752 105 L CB -0.189 41.958 42.059 0.147 0.000 0.891 105 L HN 0.655 nan 8.230 nan 0.000 0.432 106 D N -0.206 120.281 120.400 0.145 0.000 2.354 106 D HA -0.158 4.482 4.640 -0.000 0.000 0.216 106 D C 2.178 178.450 176.300 -0.048 0.000 0.970 106 D CA 0.800 54.856 54.000 0.095 0.000 0.905 106 D CB -0.050 40.853 40.800 0.171 0.000 0.903 106 D HN 0.406 nan 8.370 nan 0.000 0.508 107 L N -0.744 120.369 121.223 -0.183 0.000 2.291 107 L HA -0.012 4.328 4.340 -0.000 0.000 0.214 107 L C 0.394 176.866 176.870 -0.663 0.000 1.120 107 L CA 0.371 54.903 54.840 -0.512 0.000 0.799 107 L CB -0.109 41.502 42.059 -0.746 0.000 0.925 107 L HN -0.109 nan 8.230 nan 0.000 0.446 108 F N -0.330 119.584 119.950 -0.061 0.000 2.425 108 F HA 0.286 4.813 4.527 -0.000 0.000 0.331 108 F C 0.646 176.474 175.800 0.047 0.000 1.085 108 F CA -1.179 56.792 58.000 -0.047 0.000 1.028 108 F CB 0.797 39.672 39.000 -0.207 0.000 1.177 108 F HN -0.176 nan 8.300 nan 0.000 0.487 109 E N 1.499 121.852 120.200 0.254 0.000 2.229 109 E HA 0.198 4.548 4.350 -0.000 0.000 0.283 109 E C -0.969 175.751 176.600 0.200 0.000 1.030 109 E CA -0.670 55.825 56.400 0.157 0.000 0.836 109 E CB 0.569 30.313 29.700 0.074 0.000 1.068 109 E HN 0.504 nan 8.360 nan 0.000 0.401 110 E N 2.894 123.159 120.200 0.108 0.000 2.465 110 E HA 0.171 4.521 4.350 -0.000 0.000 0.260 110 E C 0.971 177.363 176.600 -0.348 0.000 0.980 110 E CA 1.357 57.727 56.400 -0.050 0.000 0.927 110 E CB 0.464 30.129 29.700 -0.058 0.000 0.934 110 E HN 0.833 nan 8.360 nan 0.000 0.459 111 G N 2.558 110.790 108.800 -0.946 0.000 2.168 111 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.257 111 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.257 111 G C 0.264 174.684 174.900 -0.799 0.000 0.997 111 G CA 0.576 44.786 45.100 -1.483 0.000 0.708 111 G HN 0.555 nan 8.290 nan 0.000 0.520 112 S N -0.123 115.392 115.700 -0.309 0.000 2.498 112 S HA 0.621 5.091 4.470 -0.000 0.000 0.324 112 S C 1.602 176.289 174.600 0.146 0.000 1.071 112 S CA -0.872 57.324 58.200 -0.007 0.000 1.113 112 S CB 0.336 63.541 63.200 0.008 0.000 0.976 112 S HN 0.173 nan 8.310 nan 0.000 0.462 113 I N 4.329 124.958 120.570 0.098 0.000 2.353 113 I HA -0.048 4.122 4.170 -0.000 0.000 0.248 113 I C 2.641 178.640 176.117 -0.196 0.000 1.119 113 I CA 1.307 62.513 61.300 -0.156 0.000 1.417 113 I CB -1.733 36.066 38.000 -0.334 0.000 1.078 113 I HN 0.763 nan 8.210 nan 0.000 0.421 114 A N 1.027 123.831 122.820 -0.027 0.000 1.902 114 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 114 A C 2.230 179.814 177.584 -0.001 0.000 1.181 114 A CA 2.017 54.072 52.037 0.030 0.000 0.623 114 A CB -0.892 18.140 19.000 0.054 0.000 0.818 114 A HN 0.514 nan 8.150 nan 0.000 0.443 115 N N -0.255 118.460 118.700 0.024 0.000 2.171 115 N HA -0.134 4.606 4.740 -0.000 0.000 0.184 115 N C 1.828 177.395 175.510 0.095 0.000 1.021 115 N CA 1.577 54.663 53.050 0.059 0.000 0.854 115 N CB -0.198 38.345 38.487 0.094 0.000 0.994 115 N HN 0.370 nan 8.380 nan 0.000 0.426 116 L N 1.651 122.918 121.223 0.074 0.000 1.970 116 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 116 L C 2.580 179.364 176.870 -0.143 0.000 1.071 116 L CA 2.616 57.456 54.840 0.000 0.000 0.751 116 L CB -1.462 40.477 42.059 -0.200 0.000 0.889 116 L HN 0.316 nan 8.230 nan 0.000 0.432 117 T N -2.450 111.892 114.554 -0.354 0.000 2.788 117 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 117 T C 1.949 176.604 174.700 -0.075 0.000 1.044 117 T CA 1.167 63.063 62.100 -0.339 0.000 1.139 117 T CB -1.162 67.453 68.868 -0.422 0.000 0.867 117 T HN 0.443 nan 8.240 nan 0.000 0.454 118 A N 1.726 124.527 122.820 -0.032 0.000 1.948 118 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 118 A C 2.664 180.271 177.584 0.038 0.000 1.177 118 A CA 2.286 54.330 52.037 0.012 0.000 0.636 118 A CB -1.068 17.939 19.000 0.012 0.000 0.815 118 A HN 0.586 nan 8.150 nan 0.000 0.449 119 S N -0.269 115.463 115.700 0.054 0.000 2.327 119 S HA -0.009 4.461 4.470 -0.000 0.000 0.213 119 S C 1.849 176.519 174.600 0.117 0.000 1.032 119 S CA 1.069 59.313 58.200 0.074 0.000 0.960 119 S CB -0.377 62.870 63.200 0.077 0.000 0.900 119 S HN 0.454 nan 8.310 nan 0.000 0.469 120 I N 2.630 123.265 120.570 0.108 0.000 2.118 120 I HA -0.139 4.031 4.170 -0.000 0.000 0.241 120 I C 2.043 178.379 176.117 0.366 0.000 1.070 120 I CA 1.632 63.048 61.300 0.194 0.000 1.327 120 I CB -1.283 36.796 38.000 0.132 0.000 1.034 120 I HN 0.406 nan 8.210 nan 0.000 0.405 121 I N -2.158 118.586 120.570 0.291 0.000 3.889 121 I HA 0.408 4.578 4.170 -0.000 0.000 0.332 121 I C 1.838 178.091 176.117 0.227 0.000 1.493 121 I CA 0.027 61.542 61.300 0.358 0.000 1.158 121 I CB -0.148 37.943 38.000 0.152 0.000 1.117 121 I HN -0.020 nan 8.210 nan 0.000 0.411 122 G N 2.688 111.593 108.800 0.173 0.000 2.587 122 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 122 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 122 G C 1.092 176.075 174.900 0.138 0.000 1.240 122 G CA 1.292 46.462 45.100 0.117 0.000 0.794 122 G HN 0.527 nan 8.290 nan 0.000 0.580 123 N N -0.348 118.442 118.700 0.150 0.000 2.118 123 N HA 0.025 4.765 4.740 -0.000 0.000 0.226 123 N C 2.002 177.622 175.510 0.184 0.000 1.305 123 N CA 0.720 53.870 53.050 0.166 0.000 0.890 123 N CB 0.908 39.479 38.487 0.140 0.000 1.118 123 N HN 0.319 nan 8.380 nan 0.000 0.511 124 V N -1.455 118.525 119.914 0.111 0.000 2.594 124 V HA -0.045 4.075 4.120 -0.000 0.000 0.253 124 V C 1.607 177.678 176.094 -0.039 0.000 1.069 124 V CA 1.260 63.502 62.300 -0.098 0.000 1.082 124 V CB -1.142 30.469 31.823 -0.353 0.000 0.680 124 V HN -0.064 nan 8.190 nan 0.000 0.469 125 F N 2.313 122.315 119.950 0.087 0.000 2.771 125 F HA 0.365 4.891 4.527 -0.000 0.000 0.299 125 F C 2.126 178.064 175.800 0.231 0.000 1.177 125 F CA 0.953 59.064 58.000 0.185 0.000 1.450 125 F CB -0.416 38.697 39.000 0.187 0.000 1.114 125 F HN 0.351 nan 8.300 nan 0.000 0.587 126 G N -1.644 107.345 108.800 0.315 0.000 3.651 126 G HA2 0.073 4.033 3.960 -0.000 0.000 0.279 126 G HA3 0.073 4.033 3.960 -0.000 0.000 0.279 126 G C -0.238 174.776 174.900 0.190 0.000 1.024 126 G CA -0.136 45.096 45.100 0.221 0.000 0.813 126 G HN 0.042 nan 8.290 nan 0.000 0.518 127 F N 1.942 121.898 119.950 0.010 0.000 2.506 127 F HA 0.312 4.839 4.527 -0.000 0.000 0.371 127 F C 1.705 177.492 175.800 -0.022 0.000 1.078 127 F CA -0.418 57.566 58.000 -0.026 0.000 1.195 127 F CB 1.146 40.097 39.000 -0.082 0.000 1.099 127 F HN -0.039 nan 8.300 nan 0.000 0.548 128 K N 3.428 123.709 120.400 -0.197 0.000 2.020 128 K HA -0.217 4.103 4.320 -0.000 0.000 0.212 128 K C 2.042 178.618 176.600 -0.041 0.000 1.050 128 K CA 1.656 57.870 56.287 -0.122 0.000 0.929 128 K CB -0.323 32.065 32.500 -0.188 0.000 0.714 128 K HN 0.730 nan 8.250 nan 0.000 0.443 129 A N 1.021 123.822 122.820 -0.033 0.000 2.186 129 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 129 A C 0.817 178.452 177.584 0.084 0.000 1.159 129 A CA 0.902 52.974 52.037 0.058 0.000 0.680 129 A CB -0.102 18.982 19.000 0.139 0.000 0.787 129 A HN 0.074 nan 8.150 nan 0.000 0.467 130 V N 0.469 120.452 119.914 0.115 0.000 2.293 130 V HA 0.132 4.251 4.120 -0.000 0.000 0.275 130 V C 1.198 177.328 176.094 0.061 0.000 1.021 130 V CA -0.410 61.931 62.300 0.067 0.000 0.815 130 V CB 1.085 32.932 31.823 0.040 0.000 1.025 130 V HN 0.581 nan 8.190 nan 0.000 0.448 131 K N 3.731 124.157 120.400 0.043 0.000 2.044 131 K HA -0.065 4.255 4.320 -0.000 0.000 0.210 131 K C 0.694 177.329 176.600 0.058 0.000 1.049 131 K CA 1.830 58.139 56.287 0.037 0.000 0.927 131 K CB 0.141 32.661 32.500 0.033 0.000 0.713 131 K HN 0.781 nan 8.250 nan 0.000 0.443 132 A N -0.018 122.867 122.820 0.108 0.000 2.572 132 A HA 0.654 4.974 4.320 -0.000 0.000 0.295 132 A C -1.865 175.863 177.584 0.239 0.000 1.072 132 A CA -0.802 51.383 52.037 0.248 0.000 0.691 132 A CB 1.732 20.858 19.000 0.210 0.000 1.291 132 A HN 0.165 nan 8.150 nan 0.000 0.404 133 L N 0.460 121.902 121.223 0.366 0.000 2.506 133 L HA 0.820 5.160 4.340 -0.000 0.000 0.257 133 L C -0.717 176.143 176.870 -0.017 0.000 0.964 133 L CA -0.133 54.684 54.840 -0.037 0.000 0.836 133 L CB 2.057 43.822 42.059 -0.489 0.000 1.384 133 L HN 0.850 nan 8.230 nan 0.000 0.410 134 R N 3.740 124.328 120.500 0.147 0.000 2.515 134 R HA 0.477 4.817 4.340 -0.000 0.000 0.278 134 R C -1.983 174.493 176.300 0.293 0.000 1.107 134 R CA -0.825 55.458 56.100 0.305 0.000 0.945 134 R CB 1.628 32.058 30.300 0.217 0.000 1.219 134 R HN 0.653 nan 8.270 nan 0.000 0.434 135 L N 4.656 126.073 121.223 0.323 0.000 2.385 135 L HA 0.206 4.545 4.340 -0.000 0.000 0.281 135 L C 0.803 177.622 176.870 -0.086 0.000 1.106 135 L CA 0.640 55.435 54.840 -0.074 0.000 0.856 135 L CB 0.939 42.994 42.059 -0.006 0.000 1.186 135 L HN 0.697 nan 8.230 nan 0.000 0.453 136 E N 2.271 122.362 120.200 -0.182 0.000 2.079 136 E HA 0.082 4.432 4.350 -0.000 0.000 0.191 136 E C -0.174 176.366 176.600 -0.101 0.000 0.961 136 E CA 0.603 56.936 56.400 -0.112 0.000 0.823 136 E CB 0.291 29.845 29.700 -0.243 0.000 0.789 136 E HN 0.724 nan 8.360 nan 0.000 0.459 137 D N -1.274 119.022 120.400 -0.173 0.000 2.610 137 D HA 0.486 5.126 4.640 -0.000 0.000 0.271 137 D C -1.326 175.012 176.300 0.063 0.000 1.174 137 D CA -0.568 53.428 54.000 -0.006 0.000 0.949 137 D CB 1.960 42.850 40.800 0.150 0.000 1.430 137 D HN -0.134 nan 8.370 nan 0.000 0.467 138 M N 0.933 120.599 119.600 0.110 0.000 2.465 138 M HA 0.394 4.874 4.480 -0.000 0.000 0.284 138 M C -1.695 174.481 176.300 -0.206 0.000 1.212 138 M CA -0.725 54.544 55.300 -0.050 0.000 0.910 138 M CB 2.219 34.749 32.600 -0.117 0.000 1.725 138 M HN 0.140 nan 8.290 nan 0.000 0.477 139 R N 4.396 124.549 120.500 -0.578 0.000 2.275 139 R HA 0.522 4.862 4.340 -0.000 0.000 0.326 139 R C -2.125 173.951 176.300 -0.374 0.000 0.973 139 R CA -0.331 55.425 56.100 -0.573 0.000 0.854 139 R CB 0.121 29.847 30.300 -0.958 0.000 1.156 139 R HN 0.775 nan 8.270 nan 0.000 0.487 140 L N 7.426 128.466 121.223 -0.306 0.000 2.255 140 L HA 0.401 4.741 4.340 -0.000 0.000 0.289 140 L C -1.660 175.116 176.870 -0.157 0.000 1.046 140 L CA -1.903 52.812 54.840 -0.208 0.000 0.816 140 L CB 1.465 43.409 42.059 -0.191 0.000 1.197 140 L HN 0.332 nan 8.230 nan 0.000 0.427 141 P HA -0.109 nan 4.420 nan 0.000 0.267 141 P C 0.706 178.017 177.300 0.018 0.000 1.201 141 P CA -0.432 62.650 63.100 -0.030 0.000 0.775 141 P CB 1.257 32.960 31.700 0.005 0.000 0.854 142 L N 3.242 124.468 121.223 0.006 0.000 1.989 142 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 142 L C 2.714 179.627 176.870 0.072 0.000 1.071 142 L CA 2.585 57.440 54.840 0.025 0.000 0.749 142 L CB -2.275 39.796 42.059 0.020 0.000 0.890 142 L HN 0.525 nan 8.230 nan 0.000 0.431 143 A N -2.311 120.560 122.820 0.086 0.000 2.076 143 A HA -0.282 4.038 4.320 -0.000 0.000 0.220 143 A C 2.207 179.900 177.584 0.182 0.000 1.160 143 A CA 1.660 53.764 52.037 0.111 0.000 0.653 143 A CB -0.840 18.220 19.000 0.100 0.000 0.801 143 A HN 0.557 nan 8.150 nan 0.000 0.455 144 Y N -0.557 119.776 120.300 0.055 0.000 2.269 144 Y HA 0.049 4.599 4.550 -0.000 0.000 0.294 144 Y C 1.806 177.837 175.900 0.218 0.000 1.120 144 Y CA 0.737 58.901 58.100 0.106 0.000 1.159 144 Y CB -0.227 38.260 38.460 0.046 0.000 1.024 144 Y HN 0.177 nan 8.280 nan 0.000 0.532 145 L N 0.787 122.088 121.223 0.130 0.000 2.079 145 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 145 L C 2.132 179.095 176.870 0.155 0.000 1.081 145 L CA 1.576 56.477 54.840 0.103 0.000 0.752 145 L CB -1.016 41.072 42.059 0.049 0.000 0.896 145 L HN 0.082 nan 8.230 nan 0.000 0.433 146 K N -0.593 119.868 120.400 0.101 0.000 2.280 146 K HA -0.082 4.238 4.320 -0.000 0.000 0.202 146 K C 1.838 178.453 176.600 0.025 0.000 1.047 146 K CA 1.423 57.752 56.287 0.070 0.000 0.942 146 K CB -0.683 31.850 32.500 0.055 0.000 0.739 146 K HN 0.571 nan 8.250 nan 0.000 0.457 147 T N -2.073 112.463 114.554 -0.029 0.000 3.148 147 T HA 0.106 4.456 4.350 -0.000 0.000 0.253 147 T C 0.517 174.988 174.700 -0.382 0.000 1.134 147 T CA -0.195 61.784 62.100 -0.202 0.000 1.051 147 T CB -0.228 68.462 68.868 -0.296 0.000 0.959 147 T HN -0.175 nan 8.240 nan 0.000 0.525 148 F N 1.085 120.945 119.950 -0.150 0.000 2.470 148 F HA 0.487 5.014 4.527 -0.000 0.000 0.329 148 F C 1.589 177.358 175.800 -0.052 0.000 1.072 148 F CA -1.261 56.669 58.000 -0.117 0.000 0.989 148 F CB 1.883 40.804 39.000 -0.131 0.000 1.193 148 F HN -0.113 nan 8.300 nan 0.000 0.481 149 Q N 1.810 121.691 119.800 0.134 0.000 2.137 149 Q HA 0.233 4.573 4.340 -0.000 0.000 0.198 149 Q C 0.820 176.866 176.000 0.077 0.000 0.960 149 Q CA 1.018 56.865 55.803 0.074 0.000 0.847 149 Q CB -0.009 28.757 28.738 0.047 0.000 0.915 149 Q HN 0.983 nan 8.270 nan 0.000 0.448 150 G N 0.718 109.576 108.800 0.098 0.000 2.828 150 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.463 150 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.463 150 G C -2.632 172.267 174.900 -0.002 0.000 1.394 150 G CA -0.512 44.607 45.100 0.032 0.000 0.862 150 G HN 0.261 nan 8.290 nan 0.000 0.540 151 P HA 0.297 nan 4.420 nan 0.000 0.263 151 P C 1.070 178.356 177.300 -0.023 0.000 1.175 151 P CA 1.041 64.114 63.100 -0.045 0.000 0.761 151 P CB 0.624 32.280 31.700 -0.073 0.000 0.794 152 A N 3.669 126.480 122.820 -0.014 0.000 1.883 152 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 152 A C 1.733 179.306 177.584 -0.020 0.000 1.186 152 A CA 2.373 54.404 52.037 -0.010 0.000 0.624 152 A CB -1.282 17.718 19.000 0.000 0.000 0.822 152 A HN 0.527 nan 8.150 nan 0.000 0.444 153 T N -2.156 112.383 114.554 -0.025 0.000 3.082 153 T HA 0.482 4.832 4.350 -0.000 0.000 0.235 153 T C 0.995 175.688 174.700 -0.012 0.000 0.991 153 T CA 0.914 63.003 62.100 -0.019 0.000 1.220 153 T CB -0.305 68.549 68.868 -0.024 0.000 0.909 153 T HN 1.725 nan 8.240 nan 0.000 0.424 154 G N 0.624 109.415 108.800 -0.015 0.000 2.705 154 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.686 154 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.686 154 G C 0.625 175.532 174.900 0.011 0.000 1.285 154 G CA -0.504 44.587 45.100 -0.016 0.000 0.800 154 G HN 0.229 nan 8.290 nan 0.000 0.611 155 V N 2.330 122.249 119.914 0.009 0.000 2.282 155 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 155 V C 2.947 179.064 176.094 0.039 0.000 1.057 155 V CA 2.294 64.611 62.300 0.029 0.000 1.032 155 V CB -0.701 31.129 31.823 0.012 0.000 0.645 155 V HN 0.697 nan 8.190 nan 0.000 0.447 156 I N -0.518 120.075 120.570 0.038 0.000 2.142 156 I HA -0.207 3.962 4.170 -0.000 0.000 0.240 156 I C 2.390 178.549 176.117 0.070 0.000 1.078 156 I CA 1.745 63.083 61.300 0.064 0.000 1.343 156 I CB -1.285 36.747 38.000 0.054 0.000 1.046 156 I HN 0.347 nan 8.210 nan 0.000 0.405 157 L N 0.974 122.225 121.223 0.047 0.000 2.141 157 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 157 L C 2.477 179.369 176.870 0.037 0.000 1.094 157 L CA 1.711 56.577 54.840 0.044 0.000 0.763 157 L CB -0.781 41.293 42.059 0.025 0.000 0.908 157 L HN 0.297 nan 8.230 nan 0.000 0.437 158 E N -0.443 119.778 120.200 0.035 0.000 2.051 158 E HA -0.265 4.085 4.350 -0.000 0.000 0.192 158 E C 2.320 178.925 176.600 0.008 0.000 0.991 158 E CA 1.237 57.664 56.400 0.044 0.000 0.799 158 E CB -0.100 29.652 29.700 0.088 0.000 0.748 158 E HN 0.477 nan 8.360 nan 0.000 0.449 159 R N 0.226 120.706 120.500 -0.033 0.000 2.127 159 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 159 R C 2.280 178.398 176.300 -0.304 0.000 1.134 159 R CA 1.604 57.573 56.100 -0.218 0.000 0.975 159 R CB -0.107 30.065 30.300 -0.213 0.000 0.865 159 R HN 0.322 nan 8.270 nan 0.000 0.447 160 E N -0.098 120.093 120.200 -0.016 0.000 2.208 160 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 160 E C 1.896 178.526 176.600 0.050 0.000 0.988 160 E CA 0.578 57.050 56.400 0.122 0.000 0.828 160 E CB 0.136 29.942 29.700 0.177 0.000 0.763 160 E HN 0.278 nan 8.360 nan 0.000 0.478 161 R N 0.101 120.609 120.500 0.014 0.000 2.200 161 R HA 0.059 4.399 4.340 -0.000 0.000 0.208 161 R C 2.045 178.346 176.300 0.001 0.000 1.033 161 R CA 0.510 56.623 56.100 0.021 0.000 1.000 161 R CB 0.149 30.467 30.300 0.029 0.000 0.906 161 R HN 0.192 nan 8.270 nan 0.000 0.462 162 L N -0.246 120.944 121.223 -0.056 0.000 2.408 162 L HA 0.090 4.430 4.340 -0.000 0.000 0.215 162 L C 0.149 176.931 176.870 -0.147 0.000 1.081 162 L CA 0.014 54.800 54.840 -0.091 0.000 0.840 162 L CB 0.036 42.024 42.059 -0.119 0.000 1.002 162 L HN 0.105 nan 8.230 nan 0.000 0.468 163 D N 1.714 121.975 120.400 -0.232 0.000 2.739 163 D HA -0.171 4.469 4.640 -0.000 0.000 0.240 163 D C -0.316 175.761 176.300 -0.371 0.000 1.114 163 D CA 0.748 54.641 54.000 -0.178 0.000 0.695 163 D CB -0.730 40.098 40.800 0.047 0.000 1.078 163 D HN 0.296 nan 8.370 nan 0.000 0.434 164 K N 0.920 120.781 120.400 -0.899 0.000 2.578 164 K HA 0.523 4.843 4.320 -0.000 0.000 0.250 164 K C -0.716 175.411 176.600 -0.789 0.000 0.955 164 K CA -0.624 55.321 56.287 -0.571 0.000 0.825 164 K CB 1.106 33.420 32.500 -0.310 0.000 1.151 164 K HN -0.038 nan 8.250 nan 0.000 0.432 165 F N -0.577 119.373 119.950 0.001 0.000 2.620 165 F HA 0.506 5.033 4.527 -0.000 0.000 0.320 165 F C 1.217 177.018 175.800 0.001 0.000 1.069 165 F CA -1.091 56.912 58.000 0.005 0.000 0.953 165 F CB 1.717 40.721 39.000 0.006 0.000 1.322 165 F HN 0.650 nan 8.300 nan 0.000 0.479 166 G N 1.246 110.167 108.800 0.201 0.000 2.179 166 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.257 166 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.257 166 G C -0.189 174.746 174.900 0.058 0.000 1.010 166 G CA 0.455 45.619 45.100 0.107 0.000 0.736 166 G HN 1.030 nan 8.290 nan 0.000 0.513 167 R N -2.052 118.475 120.500 0.046 0.000 2.664 167 R HA 0.612 4.952 4.340 -0.000 0.000 0.266 167 R C -3.429 172.881 176.300 0.017 0.000 1.046 167 R CA -1.901 54.212 56.100 0.021 0.000 0.885 167 R CB 0.563 30.871 30.300 0.013 0.000 1.254 167 R HN 0.019 nan 8.270 nan 0.000 0.465 168 P HA 0.079 nan 4.420 nan 0.000 0.271 168 P C -0.627 176.689 177.300 0.026 0.000 1.233 168 P CA -0.242 62.880 63.100 0.035 0.000 0.789 168 P CB 0.499 32.233 31.700 0.056 0.000 0.951 169 L N 1.094 122.336 121.223 0.032 0.000 2.375 169 L HA 0.471 4.811 4.340 -0.000 0.000 0.268 169 L C 0.031 176.945 176.870 0.072 0.000 1.058 169 L CA -0.760 54.093 54.840 0.021 0.000 0.803 169 L CB 0.547 42.639 42.059 0.054 0.000 1.212 169 L HN 0.157 nan 8.230 nan 0.000 0.451 170 L N 0.943 122.197 121.223 0.052 0.000 2.341 170 L HA 0.742 5.082 4.340 -0.000 0.000 0.278 170 L C 0.141 177.099 176.870 0.147 0.000 1.005 170 L CA -0.309 54.606 54.840 0.125 0.000 0.818 170 L CB 1.849 43.966 42.059 0.097 0.000 1.259 170 L HN 0.709 nan 8.230 nan 0.000 0.418 171 G N 0.716 109.626 108.800 0.184 0.000 2.949 171 G HA2 0.644 4.604 3.960 -0.000 0.000 0.285 171 G HA3 0.644 4.604 3.960 -0.000 0.000 0.285 171 G C -1.886 173.070 174.900 0.094 0.000 1.395 171 G CA -0.537 44.645 45.100 0.137 0.000 0.901 171 G HN 0.708 nan 8.290 nan 0.000 0.519 172 C N -0.009 119.293 119.300 0.002 0.000 3.050 172 C HA 0.653 5.113 4.460 -0.000 0.000 0.416 172 C C -0.264 174.704 174.990 -0.037 0.000 0.994 172 C CA -0.479 58.549 59.018 0.016 0.000 1.222 172 C CB 0.428 28.203 27.740 0.058 0.000 1.612 172 C HN 0.845 nan 8.230 nan 0.000 0.550 173 T N 5.423 119.965 114.554 -0.019 0.000 2.794 173 T HA 0.354 4.704 4.350 -0.000 0.000 0.296 173 T C 0.595 175.302 174.700 0.011 0.000 0.949 173 T CA 0.328 62.431 62.100 0.006 0.000 1.101 173 T CB 0.853 69.754 68.868 0.056 0.000 0.905 173 T HN 0.869 nan 8.240 nan 0.000 0.516 174 T N 5.693 120.246 114.554 -0.003 0.000 2.940 174 T HA 0.192 4.541 4.350 -0.000 0.000 0.309 174 T C 0.289 174.970 174.700 -0.032 0.000 1.056 174 T CA -0.260 61.775 62.100 -0.109 0.000 1.137 174 T CB 0.222 68.833 68.868 -0.429 0.000 0.976 174 T HN 0.332 nan 8.240 nan 0.000 0.547 175 K N 2.737 123.111 120.400 -0.043 0.000 2.469 175 K HA 0.452 4.772 4.320 -0.000 0.000 0.254 175 K C -2.564 174.028 176.600 -0.014 0.000 0.939 175 K CA -2.213 54.073 56.287 -0.002 0.000 0.812 175 K CB 1.472 33.982 32.500 0.017 0.000 1.301 175 K HN 0.355 nan 8.250 nan 0.000 0.433 176 P HA 0.123 nan 4.420 nan 0.000 0.269 176 P C 0.292 177.607 177.300 0.025 0.000 1.215 176 P CA -0.137 62.965 63.100 0.004 0.000 0.780 176 P CB 0.965 32.654 31.700 -0.018 0.000 0.898 177 K N 0.346 120.765 120.400 0.030 0.000 2.034 177 K HA -0.106 4.214 4.320 -0.000 0.000 0.214 177 K C 0.808 177.456 176.600 0.081 0.000 1.051 177 K CA 1.347 57.673 56.287 0.064 0.000 0.931 177 K CB -0.316 32.209 32.500 0.042 0.000 0.715 177 K HN 0.420 nan 8.250 nan 0.000 0.446 178 L N -2.262 118.943 121.223 -0.031 0.000 2.333 178 L HA 0.424 4.764 4.340 -0.000 0.000 0.263 178 L C 0.854 177.432 176.870 -0.487 0.000 1.014 178 L CA -0.291 54.420 54.840 -0.215 0.000 0.820 178 L CB 2.215 44.140 42.059 -0.222 0.000 1.352 178 L HN 0.451 nan 8.230 nan 0.000 0.421 179 G N 0.943 109.062 108.800 -1.135 0.000 2.339 179 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.209 179 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.209 179 G C -0.039 174.734 174.900 -0.212 0.000 1.015 179 G CA -0.583 44.057 45.100 -0.766 0.000 0.635 179 G HN 0.325 nan 8.290 nan 0.000 0.499 180 L N 2.792 124.026 121.223 0.017 0.000 2.416 180 L HA 0.489 4.829 4.340 -0.000 0.000 0.272 180 L C 1.566 178.645 176.870 0.350 0.000 1.161 180 L CA 0.216 55.181 54.840 0.208 0.000 0.845 180 L CB 1.190 43.418 42.059 0.282 0.000 1.119 180 L HN 0.550 nan 8.230 nan 0.000 0.464 181 S N 1.595 117.442 115.700 0.246 0.000 2.661 181 S HA 0.292 4.762 4.470 -0.000 0.000 0.265 181 S C 1.166 175.883 174.600 0.195 0.000 1.225 181 S CA -0.255 58.072 58.200 0.211 0.000 0.986 181 S CB 1.302 64.570 63.200 0.115 0.000 1.008 181 S HN 0.730 nan 8.310 nan 0.000 0.565 182 G N 0.699 109.583 108.800 0.139 0.000 2.404 182 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.215 182 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.215 182 G C 1.337 176.201 174.900 -0.061 0.000 1.174 182 G CA 1.052 46.252 45.100 0.167 0.000 0.780 182 G HN 0.733 nan 8.290 nan 0.000 0.537 183 K N 1.131 121.255 120.400 -0.461 0.000 2.020 183 K HA -0.110 4.209 4.320 -0.000 0.000 0.212 183 K C 2.297 178.689 176.600 -0.347 0.000 1.050 183 K CA 1.746 57.482 56.287 -0.919 0.000 0.929 183 K CB -0.398 31.678 32.500 -0.706 0.000 0.714 183 K HN 0.207 nan 8.250 nan 0.000 0.443 184 N N -0.541 118.079 118.700 -0.133 0.000 2.166 184 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 184 N C 1.735 177.253 175.510 0.014 0.000 1.019 184 N CA 1.202 54.229 53.050 -0.039 0.000 0.856 184 N CB -0.484 38.008 38.487 0.009 0.000 0.993 184 N HN 0.245 nan 8.380 nan 0.000 0.426 185 Y N 1.573 121.853 120.300 -0.033 0.000 2.114 185 Y HA -0.183 4.367 4.550 -0.000 0.000 0.282 185 Y C 2.535 178.410 175.900 -0.042 0.000 1.165 185 Y CA 1.897 59.997 58.100 -0.000 0.000 1.148 185 Y CB -0.750 37.745 38.460 0.059 0.000 0.972 185 Y HN 0.091 nan 8.280 nan 0.000 0.504 186 G N -0.513 108.354 108.800 0.111 0.000 2.442 186 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.219 186 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.219 186 G C 1.885 176.809 174.900 0.039 0.000 1.141 186 G CA 0.744 45.882 45.100 0.063 0.000 0.763 186 G HN 0.155 nan 8.290 nan 0.000 0.554 187 R N 0.290 120.795 120.500 0.007 0.000 2.094 187 R HA -0.076 4.263 4.340 -0.000 0.000 0.239 187 R C 2.778 179.099 176.300 0.035 0.000 1.137 187 R CA 1.457 57.583 56.100 0.042 0.000 0.943 187 R CB -1.039 29.260 30.300 -0.001 0.000 0.850 187 R HN 0.310 nan 8.270 nan 0.000 0.433 188 V N 0.433 120.319 119.914 -0.046 0.000 2.343 188 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 188 V C 2.599 178.650 176.094 -0.072 0.000 1.051 188 V CA 1.664 63.913 62.300 -0.086 0.000 1.036 188 V CB -0.491 31.222 31.823 -0.185 0.000 0.654 188 V HN 0.076 nan 8.190 nan 0.000 0.451 189 V N -0.760 119.104 119.914 -0.083 0.000 2.295 189 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 189 V C 2.226 178.350 176.094 0.050 0.000 1.049 189 V CA 2.556 64.821 62.300 -0.057 0.000 1.024 189 V CB -0.856 30.878 31.823 -0.149 0.000 0.648 189 V HN 0.639 nan 8.190 nan 0.000 0.447 190 Y N 1.445 121.722 120.300 -0.038 0.000 2.070 190 Y HA -0.223 4.326 4.550 -0.000 0.000 0.280 190 Y C 2.635 178.524 175.900 -0.017 0.000 1.148 190 Y CA 1.945 60.037 58.100 -0.014 0.000 1.125 190 Y CB -0.502 37.955 38.460 -0.006 0.000 0.975 190 Y HN 0.262 nan 8.280 nan 0.000 0.492 191 E N 0.567 120.642 120.200 -0.208 0.000 2.033 191 E HA -0.273 4.077 4.350 -0.000 0.000 0.199 191 E C 2.465 178.933 176.600 -0.219 0.000 1.011 191 E CA 1.479 57.702 56.400 -0.296 0.000 0.815 191 E CB -1.103 28.519 29.700 -0.129 0.000 0.755 191 E HN 0.556 nan 8.360 nan 0.000 0.451 192 A N 1.373 124.121 122.820 -0.118 0.000 1.883 192 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 192 A C 2.492 180.029 177.584 -0.078 0.000 1.186 192 A CA 1.446 53.435 52.037 -0.080 0.000 0.624 192 A CB -0.842 18.136 19.000 -0.037 0.000 0.822 192 A HN 0.174 nan 8.150 nan 0.000 0.444 193 L N -0.679 120.509 121.223 -0.060 0.000 1.994 193 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 193 L C 2.704 179.520 176.870 -0.090 0.000 1.071 193 L CA 2.097 56.914 54.840 -0.038 0.000 0.745 193 L CB -0.500 41.575 42.059 0.025 0.000 0.892 193 L HN 0.508 nan 8.230 nan 0.000 0.431 194 K N 0.316 120.612 120.400 -0.174 0.000 2.103 194 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 194 K C 1.970 178.472 176.600 -0.164 0.000 1.048 194 K CA 1.524 57.689 56.287 -0.204 0.000 0.930 194 K CB -0.364 31.883 32.500 -0.423 0.000 0.716 194 K HN 0.355 nan 8.250 nan 0.000 0.444 195 G N -0.605 108.091 108.800 -0.173 0.000 2.462 195 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.220 195 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.220 195 G C 0.987 175.824 174.900 -0.105 0.000 1.121 195 G CA 1.052 46.069 45.100 -0.139 0.000 0.758 195 G HN 0.592 nan 8.290 nan 0.000 0.559 196 G N -1.505 107.241 108.800 -0.091 0.000 2.870 196 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.216 196 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.216 196 G C 0.183 175.044 174.900 -0.066 0.000 0.973 196 G CA -0.306 44.749 45.100 -0.075 0.000 0.807 196 G HN 0.312 nan 8.290 nan 0.000 0.573 197 L N 1.215 122.404 121.223 -0.057 0.000 2.375 197 L HA 0.396 4.736 4.340 -0.000 0.000 0.271 197 L C 0.811 177.637 176.870 -0.073 0.000 1.107 197 L CA -0.749 54.068 54.840 -0.037 0.000 0.806 197 L CB 0.823 42.883 42.059 0.003 0.000 1.146 197 L HN -0.024 nan 8.230 nan 0.000 0.447 198 D N 1.180 121.500 120.400 -0.132 0.000 2.213 198 D HA 0.069 4.708 4.640 -0.000 0.000 0.205 198 D C -0.141 175.891 176.300 -0.446 0.000 0.961 198 D CA 1.400 55.189 54.000 -0.352 0.000 0.853 198 D CB 0.389 40.879 40.800 -0.518 0.000 0.967 198 D HN 0.120 nan 8.370 nan 0.000 0.496 199 F N -0.494 119.493 119.950 0.061 0.000 2.643 199 F HA 0.448 4.975 4.527 -0.000 0.000 0.314 199 F C -0.130 175.650 175.800 -0.034 0.000 1.096 199 F CA -1.182 56.853 58.000 0.058 0.000 0.953 199 F CB 1.750 40.828 39.000 0.130 0.000 1.345 199 F HN -0.442 nan 8.300 nan 0.000 0.468 200 V N 0.910 120.942 119.914 0.195 0.000 3.049 200 V HA 0.693 4.813 4.120 -0.000 0.000 0.309 200 V C -1.190 174.860 176.094 -0.073 0.000 1.148 200 V CA -1.228 61.146 62.300 0.123 0.000 0.990 200 V CB 2.641 34.625 31.823 0.268 0.000 1.039 200 V HN 0.769 nan 8.190 nan 0.000 0.430 201 K N 0.121 120.423 120.400 -0.163 0.000 2.532 201 K HA 0.630 4.950 4.320 -0.000 0.000 0.265 201 K C -1.666 174.976 176.600 0.071 0.000 0.948 201 K CA -0.969 55.054 56.287 -0.439 0.000 0.842 201 K CB 2.318 34.293 32.500 -0.875 0.000 1.392 201 K HN 0.441 nan 8.250 nan 0.000 0.436 202 D N 1.112 121.572 120.400 0.101 0.000 2.360 202 D HA 0.064 4.704 4.640 -0.000 0.000 0.242 202 D C -0.497 175.941 176.300 0.231 0.000 1.184 202 D CA 0.250 54.467 54.000 0.361 0.000 0.930 202 D CB 0.741 41.672 40.800 0.219 0.000 1.161 202 D HN 0.471 nan 8.370 nan 0.000 0.447 203 D N 0.231 120.778 120.400 0.246 0.000 2.329 203 D HA -0.043 4.597 4.640 -0.000 0.000 0.246 203 D C 1.366 177.698 176.300 0.052 0.000 1.111 203 D CA -0.315 53.773 54.000 0.147 0.000 0.941 203 D CB 0.920 41.804 40.800 0.140 0.000 1.169 203 D HN 0.338 nan 8.370 nan 0.000 0.441 204 E N 1.983 122.114 120.200 -0.115 0.000 2.171 204 E HA -0.258 4.092 4.350 -0.000 0.000 0.197 204 E C 0.639 177.150 176.600 -0.147 0.000 0.997 204 E CA 1.175 57.389 56.400 -0.310 0.000 0.810 204 E CB -0.418 28.673 29.700 -1.015 0.000 0.738 204 E HN 0.525 nan 8.360 nan 0.000 0.467 205 N N 0.989 119.647 118.700 -0.069 0.000 2.322 205 N HA 0.012 4.752 4.740 -0.000 0.000 0.194 205 N C 0.050 175.604 175.510 0.074 0.000 1.126 205 N CA -0.120 52.928 53.050 -0.004 0.000 0.845 205 N CB 0.118 38.611 38.487 0.011 0.000 0.976 205 N HN 0.074 nan 8.380 nan 0.000 0.475 206 I N 1.821 122.447 120.570 0.093 0.000 2.291 206 I HA 0.228 4.397 4.170 -0.000 0.000 0.290 206 I C 0.187 176.351 176.117 0.079 0.000 1.050 206 I CA -0.182 61.200 61.300 0.137 0.000 1.245 206 I CB 0.049 38.154 38.000 0.175 0.000 1.405 206 I HN 0.138 nan 8.210 nan 0.000 0.478 207 N N 3.246 121.975 118.700 0.048 0.000 2.833 207 N HA 0.197 4.937 4.740 -0.000 0.000 0.168 207 N C -0.286 175.242 175.510 0.031 0.000 1.383 207 N CA -0.395 52.664 53.050 0.016 0.000 1.103 207 N CB 0.554 39.017 38.487 -0.041 0.000 1.235 207 N HN 0.389 nan 8.380 nan 0.000 0.437 208 S N 0.126 115.812 115.700 -0.024 0.000 2.672 208 S HA 0.486 4.956 4.470 -0.000 0.000 0.291 208 S C -1.704 172.817 174.600 -0.132 0.000 1.145 208 S CA -0.408 57.794 58.200 0.003 0.000 1.013 208 S CB 1.169 64.457 63.200 0.148 0.000 1.017 208 S HN 0.286 nan 8.310 nan 0.000 0.487 209 Q N 3.269 122.878 119.800 -0.318 0.000 2.615 209 Q HA 0.481 4.821 4.340 -0.000 0.000 0.298 209 Q C -2.159 173.587 176.000 -0.423 0.000 1.023 209 Q CA -1.689 53.854 55.803 -0.434 0.000 0.768 209 Q CB 1.367 29.654 28.738 -0.752 0.000 1.500 209 Q HN 0.275 nan 8.270 nan 0.000 0.441 210 P HA -0.164 nan 4.420 nan 0.000 0.215 210 P C 0.619 177.872 177.300 -0.077 0.000 1.153 210 P CA 1.327 64.365 63.100 -0.102 0.000 0.853 210 P CB 0.041 31.748 31.700 0.012 0.000 0.788 211 F N -2.262 117.710 119.950 0.038 0.000 2.604 211 F HA 0.268 4.795 4.527 -0.000 0.000 0.298 211 F C 0.879 176.708 175.800 0.048 0.000 1.131 211 F CA 0.154 58.179 58.000 0.042 0.000 1.457 211 F CB -0.600 38.428 39.000 0.046 0.000 1.095 211 F HN -0.161 nan 8.300 nan 0.000 0.574 212 M N 1.192 120.578 119.600 -0.357 0.000 2.396 212 M HA 0.296 4.776 4.480 -0.000 0.000 0.222 212 M C -1.477 174.693 176.300 -0.216 0.000 0.972 212 M CA -0.522 54.687 55.300 -0.153 0.000 0.887 212 M CB 0.944 33.568 32.600 0.040 0.000 2.378 212 M HN -0.189 nan 8.290 nan 0.000 0.446 213 R N 3.518 123.956 120.500 -0.102 0.000 2.531 213 R HA 0.288 4.628 4.340 -0.000 0.000 0.273 213 R C 1.069 177.355 176.300 -0.023 0.000 1.070 213 R CA -0.184 55.877 56.100 -0.066 0.000 1.112 213 R CB 0.428 30.666 30.300 -0.103 0.000 1.049 213 R HN 0.938 nan 8.270 nan 0.000 0.508 214 W N 3.558 124.791 121.300 -0.113 0.000 2.358 214 W HA -0.156 4.504 4.660 -0.000 0.000 0.303 214 W C 0.971 177.424 176.519 -0.110 0.000 1.208 214 W CA 0.708 57.995 57.345 -0.097 0.000 1.274 214 W CB -0.641 28.704 29.460 -0.192 0.000 1.138 214 W HN 0.467 nan 8.180 nan 0.000 0.515 215 R N 1.042 120.922 120.500 -1.033 0.000 2.120 215 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 215 R C 2.064 178.262 176.300 -0.170 0.000 1.123 215 R CA 2.205 57.828 56.100 -0.796 0.000 0.975 215 R CB -0.277 29.394 30.300 -1.048 0.000 0.866 215 R HN 0.223 nan 8.270 nan 0.000 0.446 216 E N 0.121 120.267 120.200 -0.090 0.000 2.106 216 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 216 E C 1.903 178.665 176.600 0.269 0.000 0.984 216 E CA 0.839 57.296 56.400 0.094 0.000 0.806 216 E CB -0.092 29.717 29.700 0.182 0.000 0.750 216 E HN 0.203 nan 8.360 nan 0.000 0.458 217 R N -0.298 120.353 120.500 0.252 0.000 2.070 217 R HA -0.188 4.152 4.340 -0.000 0.000 0.233 217 R C 1.826 178.358 176.300 0.385 0.000 1.137 217 R CA 1.382 57.659 56.100 0.296 0.000 0.945 217 R CB -0.303 30.110 30.300 0.187 0.000 0.845 217 R HN 0.176 nan 8.270 nan 0.000 0.430 218 Y N 0.551 120.948 120.300 0.162 0.000 2.081 218 Y HA -0.263 4.287 4.550 -0.000 0.000 0.280 218 Y C 2.158 178.075 175.900 0.028 0.000 1.163 218 Y CA 1.074 59.253 58.100 0.131 0.000 1.135 218 Y CB -0.740 37.817 38.460 0.161 0.000 0.970 218 Y HN 0.097 nan 8.280 nan 0.000 0.498 219 L N -1.064 120.259 121.223 0.167 0.000 1.955 219 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 219 L C 2.344 179.214 176.870 -0.000 0.000 1.072 219 L CA 1.748 56.578 54.840 -0.017 0.000 0.755 219 L CB -1.606 40.371 42.059 -0.137 0.000 0.888 219 L HN 0.172 nan 8.230 nan 0.000 0.432 220 F N -0.681 119.309 119.950 0.067 0.000 2.161 220 F HA -0.265 4.262 4.527 -0.000 0.000 0.300 220 F C 2.469 178.295 175.800 0.044 0.000 1.089 220 F CA 1.592 59.623 58.000 0.050 0.000 1.282 220 F CB -0.620 38.420 39.000 0.066 0.000 1.010 220 F HN 0.109 nan 8.300 nan 0.000 0.485 221 T N -0.135 114.572 114.554 0.256 0.000 2.746 221 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 221 T C 2.027 176.788 174.700 0.102 0.000 1.039 221 T CA 1.099 63.280 62.100 0.134 0.000 1.142 221 T CB -0.115 68.822 68.868 0.116 0.000 0.866 221 T HN 0.056 nan 8.240 nan 0.000 0.444 222 M N 0.932 120.585 119.600 0.088 0.000 2.229 222 M HA 0.006 4.486 4.480 -0.000 0.000 0.264 222 M C 2.269 178.600 176.300 0.051 0.000 1.063 222 M CA 1.205 56.540 55.300 0.058 0.000 1.114 222 M CB -1.002 31.603 32.600 0.008 0.000 1.387 222 M HN 0.243 nan 8.290 nan 0.000 0.420 223 E N 0.914 121.145 120.200 0.052 0.000 2.051 223 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 223 E C 1.916 178.530 176.600 0.024 0.000 0.991 223 E CA 1.986 58.406 56.400 0.033 0.000 0.799 223 E CB -0.223 29.512 29.700 0.057 0.000 0.748 223 E HN 0.344 nan 8.360 nan 0.000 0.449 224 A N 0.329 123.184 122.820 0.059 0.000 1.858 224 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 224 A C 2.572 180.239 177.584 0.138 0.000 1.190 224 A CA 1.815 53.898 52.037 0.078 0.000 0.617 224 A CB -1.018 18.053 19.000 0.118 0.000 0.827 224 A HN 0.200 nan 8.150 nan 0.000 0.443 225 V N 1.263 121.250 119.914 0.121 0.000 2.282 225 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 225 V C 2.340 178.502 176.094 0.113 0.000 1.057 225 V CA 2.276 64.656 62.300 0.134 0.000 1.032 225 V CB -0.983 30.924 31.823 0.140 0.000 0.645 225 V HN 0.580 nan 8.190 nan 0.000 0.447 226 N N -0.067 118.680 118.700 0.080 0.000 2.166 226 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 226 N C 1.842 177.391 175.510 0.064 0.000 1.019 226 N CA 1.212 54.298 53.050 0.060 0.000 0.856 226 N CB -0.210 38.298 38.487 0.035 0.000 0.993 226 N HN 0.549 nan 8.380 nan 0.000 0.426 227 K N 0.916 121.349 120.400 0.056 0.000 2.097 227 K HA 0.026 4.346 4.320 -0.000 0.000 0.205 227 K C 2.092 178.826 176.600 0.224 0.000 1.050 227 K CA 0.954 57.273 56.287 0.054 0.000 0.938 227 K CB -0.055 32.334 32.500 -0.185 0.000 0.718 227 K HN 0.094 nan 8.250 nan 0.000 0.442 228 A N 0.979 123.974 122.820 0.291 0.000 1.902 228 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 228 A C 2.256 179.913 177.584 0.120 0.000 1.181 228 A CA 1.964 54.145 52.037 0.239 0.000 0.623 228 A CB -0.655 18.450 19.000 0.175 0.000 0.818 228 A HN 0.254 nan 8.150 nan 0.000 0.443 229 S N -0.375 115.384 115.700 0.098 0.000 2.356 229 S HA -0.076 4.394 4.470 -0.000 0.000 0.223 229 S C 2.167 176.800 174.600 0.055 0.000 1.032 229 S CA 1.612 59.849 58.200 0.061 0.000 1.005 229 S CB -0.469 62.765 63.200 0.056 0.000 0.867 229 S HN 0.833 nan 8.310 nan 0.000 0.449 230 A N 0.587 123.446 122.820 0.065 0.000 2.019 230 A HA 0.274 4.594 4.320 -0.000 0.000 0.219 230 A C 2.219 179.839 177.584 0.060 0.000 1.164 230 A CA 1.648 53.718 52.037 0.054 0.000 0.644 230 A CB -0.843 18.186 19.000 0.049 0.000 0.805 230 A HN 0.700 nan 8.150 nan 0.000 0.449 231 A N -0.914 121.958 122.820 0.085 0.000 2.081 231 A HA 0.141 4.461 4.320 -0.000 0.000 0.214 231 A C 2.156 179.762 177.584 0.036 0.000 1.158 231 A CA 1.882 53.965 52.037 0.077 0.000 0.724 231 A CB -0.459 18.619 19.000 0.129 0.000 0.826 231 A HN 0.680 nan 8.150 nan 0.000 0.463 232 T N -6.217 108.353 114.554 0.028 0.000 2.978 232 T HA 0.424 4.774 4.350 -0.000 0.000 0.248 232 T C 1.424 176.127 174.700 0.006 0.000 1.018 232 T CA 1.182 63.286 62.100 0.006 0.000 1.026 232 T CB 0.280 69.142 68.868 -0.010 0.000 1.032 232 T HN 1.594 nan 8.240 nan 0.000 0.485 233 G N 1.338 110.147 108.800 0.015 0.000 2.141 233 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.231 233 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.231 233 G C -0.299 174.607 174.900 0.008 0.000 0.984 233 G CA 0.119 45.227 45.100 0.014 0.000 0.660 233 G HN 0.695 nan 8.290 nan 0.000 0.525 234 E N -0.813 119.388 120.200 0.002 0.000 2.249 234 E HA 0.604 4.954 4.350 -0.000 0.000 0.263 234 E C -0.194 176.402 176.600 -0.007 0.000 0.950 234 E CA -1.102 55.291 56.400 -0.012 0.000 0.827 234 E CB 2.395 32.073 29.700 -0.037 0.000 1.220 234 E HN 0.057 nan 8.360 nan 0.000 0.411 235 V N 2.935 122.838 119.914 -0.019 0.000 2.427 235 V HA 0.120 4.240 4.120 -0.000 0.000 0.268 235 V C 0.150 176.230 176.094 -0.023 0.000 1.046 235 V CA -0.086 62.212 62.300 -0.003 0.000 0.970 235 V CB 0.215 32.036 31.823 -0.003 0.000 1.001 235 V HN 0.467 nan 8.190 nan 0.000 0.476 236 K N 3.038 123.452 120.400 0.022 0.000 2.258 236 K HA 0.870 5.190 4.320 -0.000 0.000 0.236 236 K C 0.102 176.794 176.600 0.154 0.000 1.008 236 K CA -0.499 55.810 56.287 0.036 0.000 0.869 236 K CB 2.345 34.880 32.500 0.059 0.000 1.171 236 K HN 0.818 nan 8.250 nan 0.000 0.447 237 G N 0.025 108.993 108.800 0.281 0.000 2.703 237 G HA2 0.397 4.357 3.960 -0.000 0.000 0.294 237 G HA3 0.397 4.357 3.960 -0.000 0.000 0.294 237 G C -2.118 173.115 174.900 0.555 0.000 1.451 237 G CA -0.406 44.979 45.100 0.474 0.000 0.869 237 G HN 0.583 nan 8.290 nan 0.000 0.516 238 H N 0.306 119.553 119.070 0.295 0.000 2.744 238 H HA 0.544 5.100 4.556 -0.000 0.000 0.339 238 H C -1.067 174.393 175.328 0.220 0.000 1.004 238 H CA -0.896 55.281 56.048 0.215 0.000 1.257 238 H CB 0.717 30.568 29.762 0.149 0.000 1.552 238 H HN 0.365 nan 8.280 nan 0.000 0.522 239 Y N 5.564 125.526 120.300 -0.564 0.000 2.784 239 Y HA 0.058 4.608 4.550 -0.000 0.000 0.355 239 Y C 0.290 175.889 175.900 -0.503 0.000 1.198 239 Y CA -0.287 57.534 58.100 -0.465 0.000 1.588 239 Y CB -0.678 37.559 38.460 -0.372 0.000 1.220 239 Y HN 0.489 nan 8.280 nan 0.000 0.517 240 L N 4.417 125.524 121.223 -0.192 0.000 2.283 240 L HA 0.186 4.526 4.340 -0.000 0.000 0.287 240 L C 0.749 177.550 176.870 -0.114 0.000 1.073 240 L CA 0.004 54.674 54.840 -0.283 0.000 0.822 240 L CB 0.312 42.009 42.059 -0.603 0.000 1.186 240 L HN 0.603 nan 8.230 nan 0.000 0.436 241 N N 2.350 121.052 118.700 0.004 0.000 2.420 241 N HA 0.123 4.863 4.740 -0.000 0.000 0.262 241 N C 0.711 176.280 175.510 0.098 0.000 1.144 241 N CA -0.430 52.657 53.050 0.061 0.000 0.952 241 N CB 1.088 39.622 38.487 0.078 0.000 1.081 241 N HN 0.498 nan 8.380 nan 0.000 0.480 242 V N 0.610 120.532 119.914 0.013 0.000 3.444 242 V HA 0.176 4.295 4.120 -0.000 0.000 0.308 242 V C 0.623 176.618 176.094 -0.165 0.000 1.371 242 V CA -0.308 61.950 62.300 -0.071 0.000 1.141 242 V CB -0.251 31.492 31.823 -0.132 0.000 1.037 242 V HN 0.439 nan 8.190 nan 0.000 0.433 243 T N 3.261 117.747 114.554 -0.113 0.000 2.831 243 T HA 0.538 4.888 4.350 -0.000 0.000 0.291 243 T C 0.240 174.840 174.700 -0.168 0.000 0.981 243 T CA 1.203 63.227 62.100 -0.128 0.000 1.174 243 T CB 0.416 69.234 68.868 -0.084 0.000 0.929 243 T HN 1.031 nan 8.240 nan 0.000 0.532 244 A N 2.443 125.151 122.820 -0.187 0.000 2.583 244 A HA 0.850 5.170 4.320 -0.000 0.000 0.289 244 A C 1.127 178.618 177.584 -0.156 0.000 1.151 244 A CA -0.223 51.695 52.037 -0.198 0.000 0.695 244 A CB 0.499 19.334 19.000 -0.274 0.000 1.290 244 A HN 0.748 nan 8.150 nan 0.000 0.419 245 A N -0.288 122.450 122.820 -0.136 0.000 1.898 245 A HA 0.307 4.627 4.320 -0.000 0.000 0.216 245 A C 1.370 178.890 177.584 -0.107 0.000 1.181 245 A CA 2.429 54.402 52.037 -0.106 0.000 0.620 245 A CB -0.831 18.118 19.000 -0.086 0.000 0.819 245 A HN 1.884 nan 8.150 nan 0.000 0.442 246 T N -5.600 108.882 114.554 -0.120 0.000 2.942 246 T HA 0.514 4.864 4.350 -0.000 0.000 0.289 246 T C 0.648 175.257 174.700 -0.152 0.000 1.044 246 T CA -0.106 61.926 62.100 -0.112 0.000 1.023 246 T CB 1.321 70.140 68.868 -0.082 0.000 1.123 246 T HN 0.003 nan 8.240 nan 0.000 0.512 247 M N 0.663 120.172 119.600 -0.151 0.000 2.117 247 M HA 0.043 4.523 4.480 -0.000 0.000 0.262 247 M C 1.897 178.079 176.300 -0.196 0.000 1.065 247 M CA 1.760 56.915 55.300 -0.242 0.000 1.114 247 M CB -1.047 31.432 32.600 -0.201 0.000 1.361 247 M HN 0.837 nan 8.290 nan 0.000 0.408 248 E N -0.259 119.915 120.200 -0.043 0.000 2.058 248 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 248 E C 1.991 178.577 176.600 -0.024 0.000 0.997 248 E CA 1.652 58.082 56.400 0.051 0.000 0.801 248 E CB -0.328 29.389 29.700 0.029 0.000 0.746 248 E HN 0.501 nan 8.360 nan 0.000 0.450 249 E N 0.106 120.241 120.200 -0.109 0.000 2.110 249 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 249 E C 1.835 178.260 176.600 -0.291 0.000 0.988 249 E CA 1.173 57.458 56.400 -0.191 0.000 0.804 249 E CB -0.085 29.491 29.700 -0.205 0.000 0.745 249 E HN 0.262 nan 8.360 nan 0.000 0.458 250 M N -0.930 118.498 119.600 -0.286 0.000 2.132 250 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 250 M C 1.723 177.827 176.300 -0.327 0.000 1.065 250 M CA 1.244 56.335 55.300 -0.348 0.000 1.122 250 M CB -0.367 32.007 32.600 -0.376 0.000 1.365 250 M HN 0.170 nan 8.290 nan 0.000 0.411 251 Y N 0.351 120.473 120.300 -0.297 0.000 2.181 251 Y HA -0.168 4.382 4.550 -0.000 0.000 0.288 251 Y C 2.680 178.440 175.900 -0.233 0.000 1.146 251 Y CA 1.301 59.208 58.100 -0.323 0.000 1.164 251 Y CB -1.154 37.201 38.460 -0.175 0.000 0.982 251 Y HN 0.231 nan 8.280 nan 0.000 0.515 252 A N 0.108 122.923 122.820 -0.008 0.000 1.940 252 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 252 A C 2.339 179.925 177.584 0.003 0.000 1.176 252 A CA 1.823 53.864 52.037 0.008 0.000 0.631 252 A CB -0.499 18.489 19.000 -0.020 0.000 0.814 252 A HN 0.428 nan 8.150 nan 0.000 0.446 253 R N -0.749 119.572 120.500 -0.298 0.000 2.073 253 R HA 0.050 4.390 4.340 -0.000 0.000 0.229 253 R C 2.524 178.906 176.300 0.136 0.000 1.120 253 R CA 1.036 56.960 56.100 -0.294 0.000 0.967 253 R CB -0.429 29.468 30.300 -0.673 0.000 0.862 253 R HN 0.487 nan 8.270 nan 0.000 0.436 254 A N 1.562 124.299 122.820 -0.139 0.000 1.902 254 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 254 A C 1.735 179.315 177.584 -0.007 0.000 1.181 254 A CA 1.673 53.500 52.037 -0.350 0.000 0.623 254 A CB -0.678 17.607 19.000 -1.192 0.000 0.818 254 A HN 0.378 nan 8.150 nan 0.000 0.443 255 N N -1.634 117.146 118.700 0.133 0.000 2.166 255 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 255 N C 1.454 177.247 175.510 0.471 0.000 1.019 255 N CA 1.287 54.588 53.050 0.418 0.000 0.856 255 N CB -0.218 38.459 38.487 0.316 0.000 0.993 255 N HN 0.459 nan 8.380 nan 0.000 0.426 256 F N 1.751 121.880 119.950 0.298 0.000 2.234 256 F HA 0.086 4.613 4.527 -0.000 0.000 0.299 256 F C 2.164 178.191 175.800 0.379 0.000 1.087 256 F CA 0.556 58.749 58.000 0.322 0.000 1.340 256 F CB -0.586 38.634 39.000 0.366 0.000 1.031 256 F HN -0.034 nan 8.300 nan 0.000 0.500 257 A N 0.099 123.205 122.820 0.476 0.000 1.933 257 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 257 A C 2.413 180.123 177.584 0.209 0.000 1.175 257 A CA 1.667 53.866 52.037 0.270 0.000 0.628 257 A CB -0.738 18.406 19.000 0.239 0.000 0.814 257 A HN 0.335 nan 8.150 nan 0.000 0.444 258 K N -0.092 120.508 120.400 0.333 0.000 2.025 258 K HA -0.170 4.149 4.320 -0.000 0.000 0.207 258 K C 1.884 178.583 176.600 0.167 0.000 1.049 258 K CA 1.687 58.141 56.287 0.278 0.000 0.933 258 K CB -0.244 32.490 32.500 0.390 0.000 0.714 258 K HN 0.629 nan 8.250 nan 0.000 0.438 259 E N 0.527 120.840 120.200 0.189 0.000 2.085 259 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 259 E C 1.899 178.517 176.600 0.030 0.000 0.994 259 E CA 1.205 57.685 56.400 0.133 0.000 0.801 259 E CB -0.064 29.776 29.700 0.233 0.000 0.743 259 E HN 0.321 nan 8.360 nan 0.000 0.453 260 L N -0.670 120.513 121.223 -0.066 0.000 2.610 260 L HA 0.083 4.423 4.340 -0.000 0.000 0.232 260 L C 1.510 178.363 176.870 -0.029 0.000 1.149 260 L CA 0.477 55.248 54.840 -0.114 0.000 0.872 260 L CB -0.116 41.782 42.059 -0.267 0.000 0.992 260 L HN 0.338 nan 8.230 nan 0.000 0.447 261 G N -0.304 108.506 108.800 0.016 0.000 2.176 261 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.253 261 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.253 261 G C 0.459 175.387 174.900 0.048 0.000 0.979 261 G CA 0.375 45.494 45.100 0.032 0.000 0.641 261 G HN 0.358 nan 8.290 nan 0.000 0.530 262 S N -0.812 114.920 115.700 0.052 0.000 2.558 262 S HA 0.257 4.727 4.470 -0.000 0.000 0.291 262 S C 1.584 176.232 174.600 0.079 0.000 1.306 262 S CA 0.648 58.889 58.200 0.069 0.000 1.056 262 S CB 1.454 64.686 63.200 0.053 0.000 0.836 262 S HN 1.339 nan 8.310 nan 0.000 0.504 263 V N 5.759 125.730 119.914 0.095 0.000 3.506 263 V HA 0.471 4.591 4.120 -0.000 0.000 0.263 263 V C 0.465 176.591 176.094 0.054 0.000 1.203 263 V CA 0.820 63.174 62.300 0.090 0.000 1.133 263 V CB -0.647 31.258 31.823 0.137 0.000 0.802 263 V HN 0.760 nan 8.190 nan 0.000 0.459 264 I N 0.128 120.715 120.570 0.028 0.000 3.004 264 I HA 0.469 4.639 4.170 -0.000 0.000 0.305 264 I C -1.546 174.513 176.117 -0.097 0.000 1.312 264 I CA -1.007 60.235 61.300 -0.097 0.000 0.992 264 I CB 2.328 40.157 38.000 -0.285 0.000 1.282 264 I HN 0.169 nan 8.210 nan 0.000 0.449 265 I N 3.190 123.670 120.570 -0.150 0.000 3.191 265 I HA 0.639 4.809 4.170 -0.000 0.000 0.313 265 I C -1.255 174.780 176.117 -0.137 0.000 1.193 265 I CA -0.954 60.285 61.300 -0.102 0.000 0.968 265 I CB 2.268 40.256 38.000 -0.019 0.000 1.262 265 I HN 0.735 nan 8.210 nan 0.000 0.456 266 M N 3.187 122.765 119.600 -0.038 0.000 2.691 266 M HA 0.860 5.339 4.480 -0.000 0.000 0.293 266 M C -1.420 174.894 176.300 0.024 0.000 1.259 266 M CA -0.784 54.545 55.300 0.048 0.000 0.827 266 M CB 2.963 35.724 32.600 0.269 0.000 1.753 266 M HN 0.771 nan 8.290 nan 0.000 0.465 267 I N -1.751 118.835 120.570 0.026 0.000 2.841 267 I HA 0.599 4.768 4.170 -0.000 0.000 0.298 267 I C -1.760 174.358 176.117 0.002 0.000 1.304 267 I CA -0.865 60.426 61.300 -0.015 0.000 1.019 267 I CB 2.384 40.354 38.000 -0.051 0.000 1.282 267 I HN 0.621 nan 8.210 nan 0.000 0.432 271 V N 2.226 122.136 119.914 -0.006 0.000 3.026 271 V HA -0.168 3.952 4.120 -0.000 0.000 0.265 271 V C 2.310 178.367 176.094 -0.061 0.000 1.121 271 V CA 2.038 64.317 62.300 -0.034 0.000 1.142 271 V CB -0.493 31.308 31.823 -0.037 0.000 0.730 271 V HN 0.542 nan 8.190 nan 0.000 0.503 272 I N -1.438 119.097 120.570 -0.059 0.000 2.546 272 I HA 0.385 4.555 4.170 -0.000 0.000 0.255 272 I C 1.002 177.067 176.117 -0.086 0.000 1.163 272 I CA 0.974 62.228 61.300 -0.077 0.000 1.457 272 I CB -0.487 37.464 38.000 -0.083 0.000 1.092 272 I HN 0.300 nan 8.210 nan 0.000 0.434 273 G N -0.270 108.478 108.800 -0.087 0.000 2.576 273 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 273 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 273 G C -0.385 174.512 174.900 -0.005 0.000 1.242 273 G CA -0.218 44.802 45.100 -0.134 0.000 0.819 273 G HN 0.081 nan 8.290 nan 0.000 0.655 274 Y N 0.778 121.062 120.300 -0.027 0.000 2.081 274 Y HA -0.137 4.413 4.550 -0.000 0.000 0.280 274 Y C 3.360 179.244 175.900 -0.027 0.000 1.163 274 Y CA 2.478 60.563 58.100 -0.024 0.000 1.135 274 Y CB -1.256 37.175 38.460 -0.050 0.000 0.970 274 Y HN 0.652 nan 8.280 nan 0.000 0.498 275 T N 0.126 114.755 114.554 0.125 0.000 2.708 275 T HA -0.187 4.163 4.350 -0.000 0.000 0.266 275 T C 2.219 176.925 174.700 0.009 0.000 1.037 275 T CA 1.578 63.709 62.100 0.051 0.000 1.146 275 T CB -0.699 68.180 68.868 0.018 0.000 0.865 275 T HN 0.423 nan 8.240 nan 0.000 0.435 276 A N 0.824 123.630 122.820 -0.024 0.000 1.972 276 A HA -0.006 4.314 4.320 -0.000 0.000 0.219 276 A C 2.274 179.824 177.584 -0.057 0.000 1.169 276 A CA 1.090 53.078 52.037 -0.080 0.000 0.635 276 A CB -0.738 18.197 19.000 -0.108 0.000 0.810 276 A HN 0.530 nan 8.150 nan 0.000 0.446 277 I N -0.689 119.884 120.570 0.005 0.000 2.163 277 I HA -0.298 3.872 4.170 -0.000 0.000 0.240 277 I C 2.781 178.919 176.117 0.035 0.000 1.081 277 I CA 1.491 62.808 61.300 0.027 0.000 1.353 277 I CB -0.503 37.550 38.000 0.089 0.000 1.054 277 I HN 0.419 nan 8.210 nan 0.000 0.407 278 Q N 0.069 119.901 119.800 0.054 0.000 2.135 278 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 278 Q C 2.196 178.229 176.000 0.054 0.000 0.981 278 Q CA 2.084 57.922 55.803 0.058 0.000 0.856 278 Q CB -0.330 28.444 28.738 0.060 0.000 0.902 278 Q HN 0.541 nan 8.270 nan 0.000 0.425 279 T N 0.783 115.355 114.554 0.030 0.000 2.746 279 T HA -0.117 4.232 4.350 -0.000 0.000 0.267 279 T C 1.796 176.544 174.700 0.080 0.000 1.039 279 T CA 0.991 63.114 62.100 0.039 0.000 1.142 279 T CB -0.031 68.806 68.868 -0.053 0.000 0.866 279 T HN 0.146 nan 8.240 nan 0.000 0.444 280 M N 1.229 120.838 119.600 0.015 0.000 2.132 280 M HA 0.125 4.605 4.480 -0.000 0.000 0.263 280 M C 2.835 179.239 176.300 0.174 0.000 1.065 280 M CA 1.145 56.482 55.300 0.062 0.000 1.122 280 M CB -1.627 30.949 32.600 -0.041 0.000 1.365 280 M HN 0.312 nan 8.290 nan 0.000 0.411 281 A N 0.110 122.994 122.820 0.106 0.000 1.917 281 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 281 A C 2.346 180.002 177.584 0.120 0.000 1.182 281 A CA 2.262 54.356 52.037 0.096 0.000 0.633 281 A CB -0.734 18.303 19.000 0.063 0.000 0.819 281 A HN 0.519 nan 8.150 nan 0.000 0.448 282 K N -1.917 118.564 120.400 0.135 0.000 2.057 282 K HA -0.202 4.118 4.320 -0.000 0.000 0.206 282 K C 1.856 178.557 176.600 0.169 0.000 1.050 282 K CA 1.487 57.847 56.287 0.123 0.000 0.935 282 K CB -0.318 32.252 32.500 0.117 0.000 0.715 282 K HN 0.654 nan 8.250 nan 0.000 0.439 283 W N 1.163 122.510 121.300 0.079 0.000 2.355 283 W HA -0.212 4.448 4.660 -0.000 0.000 0.309 283 W C 1.935 178.488 176.519 0.058 0.000 1.206 283 W CA 2.370 59.778 57.345 0.106 0.000 1.284 283 W CB -0.364 29.216 29.460 0.200 0.000 1.145 283 W HN 0.172 nan 8.180 nan 0.000 0.502 284 A N 0.575 123.594 122.820 0.332 0.000 1.908 284 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 284 A C 1.933 179.469 177.584 -0.080 0.000 1.181 284 A CA 2.179 54.289 52.037 0.123 0.000 0.627 284 A CB -0.915 18.196 19.000 0.185 0.000 0.818 284 A HN 0.333 nan 8.150 nan 0.000 0.445 285 R N 0.444 120.923 120.500 -0.035 0.000 2.096 285 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 285 R C 0.793 177.023 176.300 -0.116 0.000 1.127 285 R CA 2.016 58.081 56.100 -0.058 0.000 0.968 285 R CB -0.629 29.658 30.300 -0.021 0.000 0.861 285 R HN 0.428 nan 8.270 nan 0.000 0.440 286 D N -0.444 119.858 120.400 -0.164 0.000 2.355 286 D HA 0.011 4.651 4.640 -0.000 0.000 0.218 286 D C 0.202 176.302 176.300 -0.332 0.000 1.004 286 D CA 0.640 54.515 54.000 -0.208 0.000 0.880 286 D CB 0.091 40.781 40.800 -0.185 0.000 0.911 286 D HN 0.295 nan 8.370 nan 0.000 0.528 287 N N 0.900 119.315 118.700 -0.475 0.000 2.241 287 N HA -0.020 4.720 4.740 -0.000 0.000 0.238 287 N C -0.868 174.434 175.510 -0.345 0.000 1.244 287 N CA -0.024 52.686 53.050 -0.567 0.000 0.880 287 N CB 1.148 38.883 38.487 -1.254 0.000 1.179 287 N HN -0.047 nan 8.380 nan 0.000 0.513 288 D N 1.062 121.333 120.400 -0.216 0.000 2.697 288 D HA -0.214 4.426 4.640 -0.000 0.000 0.235 288 D C -0.185 176.063 176.300 -0.088 0.000 1.167 288 D CA 0.823 54.753 54.000 -0.117 0.000 0.656 288 D CB -1.069 39.680 40.800 -0.085 0.000 1.025 288 D HN 0.299 nan 8.370 nan 0.000 0.419 289 M N 0.288 119.838 119.600 -0.083 0.000 2.465 289 M HA 0.478 4.958 4.480 -0.000 0.000 0.316 289 M C -1.001 175.293 176.300 -0.010 0.000 1.121 289 M CA -0.681 54.620 55.300 0.001 0.000 0.934 289 M CB 1.843 34.521 32.600 0.129 0.000 1.692 289 M HN 0.081 nan 8.290 nan 0.000 0.444 290 I N 4.678 125.216 120.570 -0.053 0.000 2.371 290 I HA 0.224 4.394 4.170 -0.000 0.000 0.290 290 I C -0.868 175.123 176.117 -0.210 0.000 1.028 290 I CA -0.702 60.504 61.300 -0.158 0.000 1.345 290 I CB 0.873 38.727 38.000 -0.243 0.000 1.407 290 I HN 0.511 nan 8.210 nan 0.000 0.501 291 L N 8.062 129.166 121.223 -0.198 0.000 2.283 291 L HA 0.322 4.662 4.340 -0.000 0.000 0.281 291 L C -0.375 176.346 176.870 -0.249 0.000 1.033 291 L CA -0.284 54.459 54.840 -0.163 0.000 0.848 291 L CB 0.291 42.322 42.059 -0.047 0.000 1.226 291 L HN 0.456 nan 8.230 nan 0.000 0.429 292 H N 4.129 122.946 119.070 -0.423 0.000 2.562 292 H HA 0.529 5.084 4.556 -0.000 0.000 0.314 292 H C -1.184 174.084 175.328 -0.101 0.000 1.079 292 H CA -0.337 55.489 56.048 -0.369 0.000 1.349 292 H CB 1.187 30.546 29.762 -0.672 0.000 1.432 292 H HN 0.613 nan 8.280 nan 0.000 0.479 293 L N 6.278 127.177 121.223 -0.541 0.000 2.305 293 L HA 0.256 4.596 4.340 -0.000 0.000 0.284 293 L C -1.185 175.447 176.870 -0.397 0.000 1.013 293 L CA -0.539 54.105 54.840 -0.325 0.000 0.819 293 L CB 0.841 42.816 42.059 -0.140 0.000 1.227 293 L HN 0.764 nan 8.230 nan 0.000 0.417 294 H N 4.547 123.442 119.070 -0.292 0.000 2.517 294 H HA 0.285 4.841 4.556 -0.000 0.000 0.317 294 H C 0.145 175.304 175.328 -0.282 0.000 1.080 294 H CA -0.550 55.291 56.048 -0.344 0.000 1.301 294 H CB 1.062 30.722 29.762 -0.170 0.000 1.425 294 H HN 0.785 nan 8.280 nan 0.000 0.471 295 R N 3.431 123.709 120.500 -0.370 0.000 2.849 295 R HA 0.307 4.646 4.340 -0.000 0.000 0.238 295 R C 0.249 176.534 176.300 -0.025 0.000 1.403 295 R CA -0.040 55.983 56.100 -0.127 0.000 1.303 295 R CB -0.552 29.634 30.300 -0.190 0.000 1.191 295 R HN 0.401 nan 8.270 nan 0.000 0.533 296 A N 0.825 123.750 122.820 0.176 0.000 2.598 296 A HA 0.327 4.647 4.320 -0.000 0.000 0.239 296 A C 1.670 179.265 177.584 0.019 0.000 1.032 296 A CA 0.728 52.820 52.037 0.091 0.000 0.760 296 A CB -0.570 18.427 19.000 -0.005 0.000 0.946 296 A HN 0.853 nan 8.150 nan 0.000 0.512 297 G N 2.402 111.191 108.800 -0.018 0.000 2.267 297 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.257 297 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.257 297 G C 1.116 175.969 174.900 -0.078 0.000 0.998 297 G CA 1.316 46.404 45.100 -0.019 0.000 0.620 297 G HN 1.230 nan 8.290 nan 0.000 0.529 298 N N 1.160 119.785 118.700 -0.124 0.000 2.037 298 N HA -0.132 4.608 4.740 -0.000 0.000 0.196 298 N C 2.228 177.277 175.510 -0.768 0.000 1.034 298 N CA 2.674 55.510 53.050 -0.358 0.000 0.861 298 N CB -0.535 37.807 38.487 -0.241 0.000 1.039 298 N HN 0.407 nan 8.380 nan 0.000 0.427 299 S N -1.165 114.270 115.700 -0.442 0.000 2.465 299 S HA -0.153 4.317 4.470 -0.000 0.000 0.241 299 S C 1.765 176.180 174.600 -0.307 0.000 1.000 299 S CA 1.449 59.432 58.200 -0.362 0.000 0.964 299 S CB -0.920 62.146 63.200 -0.223 0.000 0.763 299 S HN 0.786 nan 8.310 nan 0.000 0.512 300 T N -0.320 114.068 114.554 -0.277 0.000 2.929 300 T HA -0.165 4.184 4.350 -0.000 0.000 0.271 300 T C 1.355 176.045 174.700 -0.018 0.000 1.085 300 T CA 1.331 63.375 62.100 -0.093 0.000 1.125 300 T CB -0.494 68.385 68.868 0.019 0.000 0.874 300 T HN 0.748 nan 8.240 nan 0.000 0.494 301 Y N -0.191 120.124 120.300 0.025 0.000 2.499 301 Y HA 0.567 5.117 4.550 -0.000 0.000 0.253 301 Y C 1.995 177.921 175.900 0.044 0.000 1.105 301 Y CA -0.286 57.837 58.100 0.038 0.000 1.240 301 Y CB 0.035 38.497 38.460 0.003 0.000 1.289 301 Y HN 0.266 nan 8.280 nan 0.000 0.534 302 S N -0.684 114.831 115.700 -0.308 0.000 2.502 302 S HA 0.148 4.618 4.470 -0.000 0.000 0.215 302 S C 1.815 176.405 174.600 -0.017 0.000 1.009 302 S CA 0.148 58.293 58.200 -0.091 0.000 0.908 302 S CB 0.043 63.126 63.200 -0.196 0.000 0.801 302 S HN 0.245 nan 8.310 nan 0.000 0.505 303 R N 1.877 122.343 120.500 -0.058 0.000 2.070 303 R HA 0.121 4.461 4.340 -0.000 0.000 0.232 303 R C 0.415 176.743 176.300 0.046 0.000 1.138 303 R CA 1.502 57.595 56.100 -0.013 0.000 0.936 303 R CB -0.684 29.593 30.300 -0.039 0.000 0.839 303 R HN 0.341 nan 8.270 nan 0.000 0.429 304 Q N 0.916 120.758 119.800 0.070 0.000 2.332 304 Q HA -0.002 4.338 4.340 -0.000 0.000 0.263 304 Q C 0.417 176.496 176.000 0.131 0.000 0.979 304 Q CA 0.347 56.209 55.803 0.100 0.000 0.885 304 Q CB 1.191 29.999 28.738 0.117 0.000 1.218 304 Q HN 0.273 nan 8.270 nan 0.000 0.405 305 K N 2.741 123.214 120.400 0.122 0.000 2.217 305 K HA -0.110 4.209 4.320 -0.000 0.000 0.202 305 K C 1.128 177.820 176.600 0.153 0.000 1.051 305 K CA 1.092 57.462 56.287 0.138 0.000 0.952 305 K CB 0.339 32.908 32.500 0.115 0.000 0.736 305 K HN 0.585 nan 8.250 nan 0.000 0.453 306 N N -0.671 118.121 118.700 0.154 0.000 2.415 306 N HA -0.122 4.617 4.740 -0.000 0.000 0.176 306 N C -0.235 175.433 175.510 0.263 0.000 1.042 306 N CA 0.745 53.897 53.050 0.170 0.000 0.902 306 N CB 0.047 38.616 38.487 0.137 0.000 0.986 306 N HN 0.200 nan 8.380 nan 0.000 0.447 307 H N -1.406 117.767 119.070 0.172 0.000 2.954 307 H HA 0.567 5.123 4.556 -0.000 0.000 0.361 307 H C 0.116 175.609 175.328 0.276 0.000 1.122 307 H CA 0.438 56.630 56.048 0.241 0.000 1.217 307 H CB 1.571 31.458 29.762 0.208 0.000 1.776 307 H HN 0.343 nan 8.280 nan 0.000 0.533 308 G N 2.426 111.192 108.800 -0.056 0.000 2.250 308 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.196 308 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.196 308 G C -1.445 173.532 174.900 0.127 0.000 1.308 308 G CA -0.339 44.798 45.100 0.062 0.000 1.207 308 G HN 0.627 nan 8.290 nan 0.000 0.505 309 M N 1.340 121.059 119.600 0.198 0.000 2.267 309 M HA 0.347 4.827 4.480 -0.000 0.000 0.289 309 M C -0.302 176.111 176.300 0.188 0.000 1.043 309 M CA -0.775 54.611 55.300 0.144 0.000 0.928 309 M CB 2.085 34.695 32.600 0.017 0.000 1.613 309 M HN 0.607 nan 8.290 nan 0.000 0.450 310 N N 1.469 120.233 118.700 0.106 0.000 2.479 310 N HA 0.017 4.757 4.740 -0.000 0.000 0.257 310 N C 0.279 175.832 175.510 0.073 0.000 1.232 310 N CA 0.304 53.438 53.050 0.141 0.000 0.920 310 N CB 0.792 39.372 38.487 0.154 0.000 1.105 310 N HN 0.680 nan 8.380 nan 0.000 0.444 311 F N 4.233 124.111 119.950 -0.121 0.000 2.333 311 F HA -0.084 4.443 4.527 -0.000 0.000 0.300 311 F C 2.196 177.687 175.800 -0.514 0.000 1.083 311 F CA 1.229 58.984 58.000 -0.408 0.000 1.395 311 F CB 0.020 38.564 39.000 -0.760 0.000 1.056 311 F HN 0.676 nan 8.300 nan 0.000 0.529 312 R N -0.693 119.554 120.500 -0.422 0.000 2.120 312 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 312 R C 1.817 177.857 176.300 -0.434 0.000 1.123 312 R CA 1.705 57.606 56.100 -0.332 0.000 0.975 312 R CB -1.439 28.945 30.300 0.140 0.000 0.866 312 R HN 0.272 nan 8.270 nan 0.000 0.446 313 V N 1.780 121.407 119.914 -0.479 0.000 2.427 313 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 313 V C 2.417 177.842 176.094 -1.116 0.000 1.051 313 V CA 1.255 63.084 62.300 -0.785 0.000 1.048 313 V CB -0.351 30.967 31.823 -0.841 0.000 0.666 313 V HN 0.283 nan 8.190 nan 0.000 0.456 314 I N -0.611 119.469 120.570 -0.817 0.000 2.252 314 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 314 I C 2.634 178.438 176.117 -0.520 0.000 1.102 314 I CA 1.283 62.256 61.300 -0.545 0.000 1.385 314 I CB -1.515 36.355 38.000 -0.218 0.000 1.064 314 I HN 0.365 nan 8.210 nan 0.000 0.414 315 C N 1.222 120.054 119.300 -0.781 0.000 2.413 315 C HA -0.173 4.287 4.460 -0.000 0.000 0.276 315 C C 2.860 177.708 174.990 -0.237 0.000 1.236 315 C CA 0.846 59.520 59.018 -0.573 0.000 1.735 315 C CB -0.853 26.527 27.740 -0.600 0.000 2.031 315 C HN 0.474 nan 8.230 nan 0.000 0.474 316 K N -0.542 119.747 120.400 -0.185 0.000 2.002 316 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 316 K C 1.979 178.655 176.600 0.126 0.000 1.048 316 K CA 1.657 58.007 56.287 0.105 0.000 0.930 316 K CB -0.304 32.156 32.500 -0.067 0.000 0.714 316 K HN 0.518 nan 8.250 nan 0.000 0.438 317 W N 0.830 122.028 121.300 -0.169 0.000 2.338 317 W HA -0.117 4.543 4.660 0.000 0.000 0.304 317 W C 2.001 178.380 176.519 -0.233 0.000 1.212 317 W CA 0.715 57.898 57.345 -0.270 0.000 1.264 317 W CB -0.705 28.543 29.460 -0.353 0.000 1.142 317 W HN 0.107 nan 8.180 nan 0.000 0.512 318 M N -0.466 119.158 119.600 0.040 0.000 2.319 318 M HA -0.066 4.414 4.480 -0.000 0.000 0.265 318 M C 2.034 178.304 176.300 -0.049 0.000 1.068 318 M CA 1.098 56.391 55.300 -0.011 0.000 1.118 318 M CB -1.256 31.329 32.600 -0.025 0.000 1.395 318 M HN 0.048 nan 8.290 nan 0.000 0.435 319 R N 0.094 120.547 120.500 -0.080 0.000 2.115 319 R HA -0.022 4.318 4.340 -0.000 0.000 0.226 319 R C 1.952 178.196 176.300 -0.094 0.000 1.100 319 R CA 0.953 56.947 56.100 -0.178 0.000 0.980 319 R CB 0.006 30.029 30.300 -0.462 0.000 0.875 319 R HN 0.307 nan 8.270 nan 0.000 0.445 320 M N -0.228 119.361 119.600 -0.018 0.000 2.132 320 M HA -0.051 4.429 4.480 -0.000 0.000 0.263 320 M C 2.453 178.785 176.300 0.053 0.000 1.065 320 M CA 1.733 56.990 55.300 -0.071 0.000 1.122 320 M CB -0.206 32.079 32.600 -0.525 0.000 1.365 320 M HN 0.178 nan 8.290 nan 0.000 0.411 321 A N -0.000 122.838 122.820 0.029 0.000 1.908 321 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 321 A C 1.906 179.534 177.584 0.073 0.000 1.181 321 A CA 1.841 53.929 52.037 0.084 0.000 0.627 321 A CB -0.956 18.067 19.000 0.039 0.000 0.818 321 A HN 0.690 nan 8.150 nan 0.000 0.445 322 G N -2.980 105.837 108.800 0.027 0.000 2.155 322 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.130 322 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.130 322 G C 0.023 174.919 174.900 -0.008 0.000 1.027 322 G CA -0.057 45.052 45.100 0.015 0.000 0.705 322 G HN 0.696 nan 8.290 nan 0.000 0.496 323 V N 1.080 120.980 119.914 -0.024 0.000 2.715 323 V HA 0.278 4.397 4.120 -0.000 0.000 0.299 323 V C 1.185 177.245 176.094 -0.056 0.000 1.054 323 V CA 0.581 62.856 62.300 -0.041 0.000 1.077 323 V CB 1.423 33.221 31.823 -0.043 0.000 0.972 323 V HN 0.287 nan 8.190 nan 0.000 0.484 324 D N 1.013 121.370 120.400 -0.070 0.000 2.262 324 D HA 0.097 4.737 4.640 -0.000 0.000 0.212 324 D C 0.536 176.893 176.300 0.095 0.000 0.964 324 D CA 1.061 55.033 54.000 -0.046 0.000 0.875 324 D CB 0.240 40.956 40.800 -0.141 0.000 0.996 324 D HN 0.704 nan 8.370 nan 0.000 0.497 325 H N -0.827 118.190 119.070 -0.089 0.000 2.690 325 H HA 0.638 5.194 4.556 -0.000 0.000 0.368 325 H C -0.741 174.502 175.328 -0.142 0.000 1.150 325 H CA -0.775 55.239 56.048 -0.056 0.000 1.174 325 H CB 3.055 32.913 29.762 0.160 0.000 1.684 325 H HN -0.126 nan 8.280 nan 0.000 0.538 326 I N 1.685 122.272 120.570 0.029 0.000 2.743 326 I HA 0.092 4.262 4.170 -0.000 0.000 0.292 326 I C -0.747 175.414 176.117 0.074 0.000 1.343 326 I CA -0.535 60.773 61.300 0.012 0.000 1.038 326 I CB 1.875 39.884 38.000 0.015 0.000 1.311 326 I HN 0.736 nan 8.210 nan 0.000 0.426 327 H N 6.505 125.512 119.070 -0.105 0.000 3.091 327 H HA 0.130 4.685 4.556 -0.000 0.000 0.289 327 H C 0.495 175.781 175.328 -0.069 0.000 0.995 327 H CA 0.482 56.454 56.048 -0.127 0.000 1.461 327 H CB 1.131 30.734 29.762 -0.264 0.000 1.510 327 H HN 0.689 nan 8.280 nan 0.000 0.546 328 A N 3.546 126.378 122.820 0.019 0.000 2.343 328 A HA 0.363 4.683 4.320 -0.000 0.000 0.223 328 A C 1.224 178.964 177.584 0.261 0.000 1.214 328 A CA 0.390 52.516 52.037 0.148 0.000 0.900 328 A CB 0.433 19.258 19.000 -0.291 0.000 0.942 328 A HN 0.956 nan 8.150 nan 0.000 0.507 329 G N -0.631 108.234 108.800 0.108 0.000 2.712 329 G HA2 0.198 4.158 3.960 -0.000 0.000 0.686 329 G HA3 0.198 4.158 3.960 -0.000 0.000 0.686 329 G C -0.073 174.909 174.900 0.136 0.000 1.321 329 G CA -0.135 45.020 45.100 0.090 0.000 0.813 329 G HN 1.508 nan 8.290 nan 0.000 0.599 330 T N -2.197 112.358 114.554 0.002 0.000 2.944 330 T HA 0.725 5.075 4.350 -0.000 0.000 0.284 330 T C 1.215 175.865 174.700 -0.083 0.000 1.010 330 T CA 0.209 62.283 62.100 -0.043 0.000 1.025 330 T CB 1.991 70.793 68.868 -0.110 0.000 1.079 330 T HN 1.258 nan 8.240 nan 0.000 0.516 331 V N 1.262 121.092 119.914 -0.141 0.000 2.922 331 V HA 0.039 4.158 4.120 -0.000 0.000 0.242 331 V C 2.473 178.475 176.094 -0.153 0.000 1.094 331 V CA 1.010 63.172 62.300 -0.230 0.000 1.106 331 V CB 0.317 31.812 31.823 -0.547 0.000 0.799 331 V HN 0.895 nan 8.190 nan 0.000 0.474 332 V N -1.158 118.702 119.914 -0.089 0.000 3.608 332 V HA 0.438 4.558 4.120 -0.000 0.000 0.269 332 V C 1.243 177.370 176.094 0.055 0.000 1.245 332 V CA 0.625 62.930 62.300 0.008 0.000 1.138 332 V CB -1.006 30.839 31.823 0.037 0.000 0.841 332 V HN 0.300 nan 8.190 nan 0.000 0.451 333 G N 1.598 110.350 108.800 -0.079 0.000 2.486 333 G HA2 0.196 4.155 3.960 -0.000 0.000 0.272 333 G HA3 0.196 4.155 3.960 -0.000 0.000 0.272 333 G C 0.759 175.339 174.900 -0.534 0.000 1.426 333 G CA 0.098 45.047 45.100 -0.250 0.000 1.058 333 G HN 0.590 nan 8.290 nan 0.000 0.531 334 K N -1.370 118.504 120.400 -0.877 0.000 2.400 334 K HA 0.194 4.514 4.320 -0.000 0.000 0.194 334 K C 0.202 176.570 176.600 -0.387 0.000 1.033 334 K CA 0.018 55.742 56.287 -0.939 0.000 1.021 334 K CB 0.012 31.947 32.500 -0.942 0.000 0.808 334 K HN 0.058 nan 8.250 nan 0.000 0.505 335 L N 2.338 123.395 121.223 -0.277 0.000 2.344 335 L HA 0.298 4.638 4.340 -0.000 0.000 0.272 335 L C 0.104 176.902 176.870 -0.121 0.000 1.035 335 L CA -0.839 53.894 54.840 -0.179 0.000 0.807 335 L CB 1.157 43.122 42.059 -0.157 0.000 1.237 335 L HN 0.161 nan 8.230 nan 0.000 0.442 336 E N 1.219 121.362 120.200 -0.096 0.000 2.653 336 E HA 0.298 4.648 4.350 -0.000 0.000 0.264 336 E C 0.059 176.638 176.600 -0.034 0.000 0.949 336 E CA 0.804 57.173 56.400 -0.051 0.000 0.953 336 E CB 0.361 30.034 29.700 -0.044 0.000 0.925 336 E HN 0.716 nan 8.360 nan 0.000 0.475 337 G N 4.087 112.871 108.800 -0.026 0.000 3.411 337 G HA2 0.114 4.074 3.960 -0.000 0.000 0.298 337 G HA3 0.114 4.074 3.960 -0.000 0.000 0.298 337 G C -1.247 173.596 174.900 -0.096 0.000 3.379 337 G CA -0.579 44.498 45.100 -0.039 0.000 0.608 337 G HN 0.636 nan 8.290 nan 0.000 0.292 338 D N 2.959 123.306 120.400 -0.089 0.000 2.424 338 D HA 0.328 4.968 4.640 -0.000 0.000 0.244 338 D C -0.034 176.147 176.300 -0.199 0.000 1.134 338 D CA -1.286 52.642 54.000 -0.120 0.000 0.881 338 D CB 2.000 42.752 40.800 -0.081 0.000 1.191 338 D HN 0.147 nan 8.370 nan 0.000 0.445 339 P HA -0.191 nan 4.420 nan 0.000 0.214 339 P C 1.543 178.738 177.300 -0.175 0.000 1.163 339 P CA 1.353 64.275 63.100 -0.295 0.000 0.883 339 P CB 0.163 31.689 31.700 -0.290 0.000 0.788 340 I N -0.818 119.681 120.570 -0.117 0.000 2.353 340 I HA -0.163 4.007 4.170 -0.000 0.000 0.248 340 I C 2.580 178.589 176.117 -0.181 0.000 1.119 340 I CA 0.928 62.164 61.300 -0.106 0.000 1.417 340 I CB -0.554 37.410 38.000 -0.060 0.000 1.078 340 I HN -0.159 nan 8.210 nan 0.000 0.421 341 I N 0.844 121.278 120.570 -0.227 0.000 2.226 341 I HA -0.241 3.928 4.170 -0.000 0.000 0.245 341 I C 2.579 178.241 176.117 -0.757 0.000 1.100 341 I CA 1.795 62.869 61.300 -0.376 0.000 1.374 341 I CB -1.474 36.349 38.000 -0.295 0.000 1.057 341 I HN 0.242 nan 8.210 nan 0.000 0.413 342 T N 0.407 114.611 114.554 -0.583 0.000 2.746 342 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 342 T C 2.080 176.653 174.700 -0.212 0.000 1.039 342 T CA 1.045 62.854 62.100 -0.485 0.000 1.142 342 T CB -0.229 68.519 68.868 -0.200 0.000 0.866 342 T HN 0.259 nan 8.240 nan 0.000 0.444 343 R N 0.581 120.960 120.500 -0.202 0.000 2.103 343 R HA -0.128 4.212 4.340 -0.000 0.000 0.242 343 R C 2.684 178.989 176.300 0.008 0.000 1.142 343 R CA 1.784 57.823 56.100 -0.102 0.000 0.960 343 R CB -0.832 29.410 30.300 -0.096 0.000 0.858 343 R HN 0.470 nan 8.270 nan 0.000 0.439 344 G N 0.068 108.821 108.800 -0.078 0.000 2.442 344 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 344 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 344 G C 1.424 176.442 174.900 0.197 0.000 1.141 344 G CA 0.732 45.836 45.100 0.008 0.000 0.763 344 G HN 0.338 nan 8.290 nan 0.000 0.554 345 F N -0.615 119.431 119.950 0.160 0.000 2.051 345 F HA -0.097 4.430 4.527 -0.000 0.000 0.296 345 F C 2.632 178.515 175.800 0.138 0.000 1.122 345 F CA 0.841 58.928 58.000 0.145 0.000 1.201 345 F CB -0.447 38.719 39.000 0.276 0.000 0.978 345 F HN 0.033 nan 8.300 nan 0.000 0.472 346 Y N 0.924 121.364 120.300 0.234 0.000 2.102 346 Y HA -0.284 4.266 4.550 -0.000 0.000 0.280 346 Y C 2.309 178.252 175.900 0.071 0.000 1.178 346 Y CA 1.453 59.623 58.100 0.118 0.000 1.146 346 Y CB -0.818 37.689 38.460 0.078 0.000 0.968 346 Y HN -0.017 nan 8.280 nan 0.000 0.504 347 K N -0.895 119.649 120.400 0.240 0.000 2.057 347 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 347 K C 2.033 178.721 176.600 0.148 0.000 1.049 347 K CA 1.879 58.258 56.287 0.154 0.000 0.931 347 K CB -0.487 32.088 32.500 0.124 0.000 0.714 347 K HN 0.240 nan 8.250 nan 0.000 0.440 348 T N 1.882 116.543 114.554 0.179 0.000 2.803 348 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 348 T C 1.755 176.497 174.700 0.071 0.000 1.052 348 T CA 1.068 63.307 62.100 0.232 0.000 1.136 348 T CB -0.079 68.908 68.868 0.198 0.000 0.864 348 T HN 0.134 nan 8.240 nan 0.000 0.467 349 L N -0.447 120.749 121.223 -0.046 0.000 2.209 349 L HA 0.103 4.443 4.340 -0.000 0.000 0.207 349 L C 2.019 178.750 176.870 -0.232 0.000 1.094 349 L CA 0.341 55.059 54.840 -0.203 0.000 0.790 349 L CB -0.226 41.724 42.059 -0.182 0.000 0.932 349 L HN 0.195 nan 8.230 nan 0.000 0.447 350 L N -0.815 120.342 121.223 -0.110 0.000 2.269 350 L HA 0.172 4.512 4.340 -0.000 0.000 0.200 350 L C 0.841 177.669 176.870 -0.070 0.000 1.069 350 L CA 0.652 55.443 54.840 -0.081 0.000 0.804 350 L CB -0.573 41.489 42.059 0.006 0.000 0.987 350 L HN 0.037 nan 8.230 nan 0.000 0.468 351 L N 1.660 122.884 121.223 0.000 0.000 2.483 351 L HA 0.072 4.412 4.340 -0.000 0.000 0.275 351 L C -1.120 175.801 176.870 0.086 0.000 1.220 351 L CA -0.396 54.479 54.840 0.058 0.000 0.833 351 L CB -0.477 41.651 42.059 0.115 0.000 1.102 351 L HN 0.068 nan 8.230 nan 0.000 0.490 352 P HA -0.020 nan 4.420 nan 0.000 0.245 352 P C -0.174 177.285 177.300 0.265 0.000 1.203 352 P CA 0.515 63.716 63.100 0.169 0.000 0.792 352 P CB 0.696 32.455 31.700 0.099 0.000 0.997 353 K N 0.009 120.546 120.400 0.227 0.000 2.550 353 K HA 0.424 4.744 4.320 -0.000 0.000 0.252 353 K C -1.757 174.935 176.600 0.153 0.000 0.943 353 K CA -0.769 55.619 56.287 0.169 0.000 0.806 353 K CB 1.527 34.086 32.500 0.098 0.000 1.289 353 K HN -0.250 nan 8.250 nan 0.000 0.435 354 L N 3.175 124.465 121.223 0.112 0.000 2.317 354 L HA 0.457 4.797 4.340 -0.000 0.000 0.281 354 L C -0.514 176.387 176.870 0.053 0.000 1.024 354 L CA -0.073 54.824 54.840 0.094 0.000 0.810 354 L CB 1.620 43.732 42.059 0.088 0.000 1.240 354 L HN 0.636 nan 8.230 nan 0.000 0.427 355 E N 2.489 122.713 120.200 0.041 0.000 2.210 355 E HA 0.379 4.728 4.350 -0.000 0.000 0.266 355 E C -0.684 175.911 176.600 -0.008 0.000 0.883 355 E CA -1.053 55.358 56.400 0.019 0.000 0.761 355 E CB 2.176 31.883 29.700 0.012 0.000 1.156 355 E HN 0.343 nan 8.360 nan 0.000 0.412 356 R N 2.684 123.174 120.500 -0.018 0.000 2.566 356 R HA -0.064 4.276 4.340 -0.000 0.000 0.273 356 R C -0.485 175.736 176.300 -0.133 0.000 0.981 356 R CA 0.674 56.726 56.100 -0.080 0.000 1.091 356 R CB 0.259 30.511 30.300 -0.081 0.000 0.924 356 R HN 0.489 nan 8.270 nan 0.000 0.411 357 N N 5.693 124.262 118.700 -0.218 0.000 2.793 357 N HA 0.008 4.748 4.740 -0.000 0.000 0.251 357 N C 0.496 175.777 175.510 -0.382 0.000 1.308 357 N CA -0.377 52.533 53.050 -0.232 0.000 0.781 357 N CB 0.742 39.143 38.487 -0.143 0.000 1.439 357 N HN 0.501 nan 8.380 nan 0.000 0.562 358 L N 1.655 122.556 121.223 -0.536 0.000 2.129 358 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 358 L C 2.203 178.796 176.870 -0.461 0.000 1.087 358 L CA 1.634 55.963 54.840 -0.852 0.000 0.757 358 L CB -0.593 40.718 42.059 -1.247 0.000 0.896 358 L HN 0.639 nan 8.230 nan 0.000 0.434 359 Q N -0.200 119.458 119.800 -0.237 0.000 2.061 359 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 359 Q C 1.952 177.894 176.000 -0.096 0.000 0.984 359 Q CA 1.602 57.355 55.803 -0.084 0.000 0.846 359 Q CB -0.046 28.656 28.738 -0.060 0.000 0.902 359 Q HN 0.628 nan 8.270 nan 0.000 0.421 360 E N -1.102 119.011 120.200 -0.146 0.000 2.285 360 E HA -0.002 4.347 4.350 -0.000 0.000 0.194 360 E C 0.926 177.445 176.600 -0.136 0.000 0.997 360 E CA 0.459 56.780 56.400 -0.132 0.000 0.845 360 E CB 0.225 29.859 29.700 -0.110 0.000 0.782 360 E HN 0.553 nan 8.360 nan 0.000 0.491 361 G N 0.867 109.520 108.800 -0.246 0.000 2.144 361 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 361 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 361 G C -0.228 174.548 174.900 -0.206 0.000 0.988 361 G CA -0.356 44.595 45.100 -0.247 0.000 0.659 361 G HN 0.045 nan 8.290 nan 0.000 0.522 362 L N 1.227 122.300 121.223 -0.250 0.000 2.282 362 L HA 0.603 4.943 4.340 -0.000 0.000 0.287 362 L C 1.018 177.745 176.870 -0.239 0.000 1.075 362 L CA -0.386 54.397 54.840 -0.095 0.000 0.839 362 L CB 0.131 42.166 42.059 -0.041 0.000 1.219 362 L HN 0.080 nan 8.230 nan 0.000 0.434 363 F N 2.014 121.779 119.950 -0.309 0.000 2.811 363 F HA 0.190 4.717 4.527 -0.000 0.000 0.301 363 F C 0.360 175.828 175.800 -0.554 0.000 1.151 363 F CA 0.009 57.708 58.000 -0.502 0.000 1.412 363 F CB -0.310 38.233 39.000 -0.762 0.000 1.113 363 F HN 0.155 nan 8.300 nan 0.000 0.579 364 F N -0.584 119.450 119.950 0.139 0.000 2.563 364 F HA 0.372 4.899 4.527 -0.000 0.000 0.316 364 F C 0.024 175.834 175.800 0.017 0.000 1.076 364 F CA -1.784 56.270 58.000 0.090 0.000 0.921 364 F CB 0.812 39.855 39.000 0.072 0.000 1.209 364 F HN -0.364 nan 8.300 nan 0.000 0.462 365 D N 2.317 122.849 120.400 0.221 0.000 2.304 365 D HA 0.453 5.093 4.640 -0.000 0.000 0.247 365 D C -0.600 175.737 176.300 0.061 0.000 1.089 365 D CA 0.226 54.285 54.000 0.098 0.000 0.910 365 D CB 1.456 42.298 40.800 0.070 0.000 1.199 365 D HN 0.493 nan 8.370 nan 0.000 0.426 366 M N 1.614 121.208 119.600 -0.010 0.000 2.265 366 M HA 0.100 4.580 4.480 -0.000 0.000 0.262 366 M C -1.412 174.796 176.300 -0.153 0.000 1.026 366 M CA -0.640 54.587 55.300 -0.121 0.000 0.987 366 M CB 1.667 34.128 32.600 -0.232 0.000 1.937 366 M HN 0.085 nan 8.290 nan 0.000 0.481 367 E N 2.594 122.720 120.200 -0.124 0.000 2.373 367 E HA 0.027 4.377 4.350 -0.000 0.000 0.267 367 E C -0.531 175.992 176.600 -0.129 0.000 1.032 367 E CA 0.408 56.777 56.400 -0.053 0.000 0.889 367 E CB 0.866 30.556 29.700 -0.017 0.000 0.984 367 E HN 0.805 nan 8.360 nan 0.000 0.425 368 W N 0.653 121.956 121.300 0.006 0.000 3.316 368 W HA 0.246 4.906 4.660 -0.000 0.000 0.327 368 W C 0.801 177.320 176.519 -0.000 0.000 1.232 368 W CA 0.420 57.762 57.345 -0.005 0.000 1.805 368 W CB 0.351 29.806 29.460 -0.008 0.000 1.090 368 W HN 0.775 nan 8.180 nan 0.000 0.654 369 A N 0.447 123.381 122.820 0.190 0.000 2.783 369 A HA -0.304 4.016 4.320 -0.000 0.000 0.292 369 A C 1.244 178.915 177.584 0.146 0.000 1.495 369 A CA 1.178 53.299 52.037 0.140 0.000 0.787 369 A CB -1.950 17.119 19.000 0.116 0.000 1.017 369 A HN 0.671 nan 8.150 nan 0.000 0.516 370 S N -3.161 112.629 115.700 0.150 0.000 3.476 370 S HA -0.217 4.253 4.470 -0.000 0.000 0.309 370 S C 0.372 175.022 174.600 0.084 0.000 1.222 370 S CA 1.206 59.467 58.200 0.101 0.000 0.922 370 S CB -1.913 61.329 63.200 0.070 0.000 1.023 370 S HN 1.100 nan 8.310 nan 0.000 0.591 371 L N 1.372 122.668 121.223 0.123 0.000 2.426 371 L HA 0.255 4.595 4.340 -0.000 0.000 0.271 371 L C 1.347 178.179 176.870 -0.063 0.000 1.169 371 L CA -0.221 54.652 54.840 0.055 0.000 0.836 371 L CB 0.315 42.449 42.059 0.124 0.000 1.112 371 L HN 0.244 nan 8.230 nan 0.000 0.465 372 R N 2.094 122.552 120.500 -0.069 0.000 2.811 372 R HA 0.060 4.400 4.340 -0.000 0.000 0.265 372 R C -0.271 175.917 176.300 -0.186 0.000 1.026 372 R CA -0.078 55.966 56.100 -0.095 0.000 1.142 372 R CB 0.331 30.596 30.300 -0.057 0.000 1.027 372 R HN 0.480 nan 8.270 nan 0.000 0.465 373 K N 1.000 121.307 120.400 -0.155 0.000 2.218 373 K HA 0.211 4.530 4.320 -0.000 0.000 0.276 373 K C -0.516 175.990 176.600 -0.157 0.000 1.022 373 K CA -0.476 55.694 56.287 -0.194 0.000 0.946 373 K CB 1.117 33.544 32.500 -0.122 0.000 1.000 373 K HN 0.171 nan 8.250 nan 0.000 0.468 374 V N 3.451 123.247 119.914 -0.198 0.000 2.481 374 V HA 0.171 4.291 4.120 -0.000 0.000 0.286 374 V C -0.120 175.913 176.094 -0.102 0.000 1.042 374 V CA -0.817 61.403 62.300 -0.134 0.000 0.928 374 V CB 1.310 33.029 31.823 -0.173 0.000 0.986 374 V HN 0.723 nan 8.190 nan 0.000 0.462 375 M N 9.607 129.188 119.600 -0.031 0.000 2.193 375 M HA 0.382 4.862 4.480 -0.000 0.000 0.342 375 M C -2.352 173.854 176.300 -0.156 0.000 1.413 375 M CA -1.818 53.438 55.300 -0.072 0.000 1.191 375 M CB 0.710 33.283 32.600 -0.045 0.000 1.633 375 M HN 0.348 nan 8.290 nan 0.000 0.458 376 P HA 0.079 nan 4.420 nan 0.000 0.269 376 P C -1.192 175.952 177.300 -0.261 0.000 1.209 376 P CA -0.184 62.691 63.100 -0.374 0.000 0.776 376 P CB 0.610 31.765 31.700 -0.909 0.000 0.876 377 V N 2.009 121.788 119.914 -0.225 0.000 2.443 377 V HA 0.502 4.621 4.120 -0.000 0.000 0.293 377 V C 0.267 176.219 176.094 -0.236 0.000 1.021 377 V CA -0.826 61.346 62.300 -0.214 0.000 0.848 377 V CB 1.392 33.094 31.823 -0.202 0.000 0.998 377 V HN 0.703 nan 8.190 nan 0.000 0.424 378 A N 3.644 126.376 122.820 -0.148 0.000 2.260 378 A HA 0.855 5.174 4.320 -0.000 0.000 0.308 378 A C -0.008 177.424 177.584 -0.254 0.000 1.254 378 A CA -0.294 51.668 52.037 -0.125 0.000 0.874 378 A CB 1.116 20.102 19.000 -0.022 0.000 1.153 378 A HN 0.863 nan 8.150 nan 0.000 0.527 379 S N 1.392 116.938 115.700 -0.256 0.000 2.543 379 S HA 0.699 5.169 4.470 -0.000 0.000 0.273 379 S C -0.563 173.932 174.600 -0.175 0.000 1.152 379 S CA 0.309 58.358 58.200 -0.252 0.000 0.910 379 S CB 1.186 64.239 63.200 -0.246 0.000 1.105 379 S HN 2.459 nan 8.310 nan 0.000 0.465 380 G N 1.976 110.655 108.800 -0.202 0.000 2.273 380 G HA2 0.461 4.421 3.960 -0.000 0.000 0.208 380 G HA3 0.461 4.421 3.960 -0.000 0.000 0.208 380 G C 0.705 175.432 174.900 -0.287 0.000 1.779 380 G CA 0.253 45.234 45.100 -0.198 0.000 1.173 380 G HN 1.997 nan 8.290 nan 0.000 0.616 381 G N 0.192 108.847 108.800 -0.242 0.000 2.246 381 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.273 381 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.273 381 G C 0.506 175.331 174.900 -0.125 0.000 1.055 381 G CA 0.941 45.900 45.100 -0.236 0.000 0.851 381 G HN 2.150 nan 8.290 nan 0.000 0.500 382 I N -2.257 118.211 120.570 -0.170 0.000 2.750 382 I HA 0.989 5.159 4.170 -0.000 0.000 0.308 382 I C 0.068 176.213 176.117 0.047 0.000 1.016 382 I CA -1.474 59.721 61.300 -0.175 0.000 1.098 382 I CB 1.989 39.782 38.000 -0.345 0.000 1.279 382 I HN 0.361 nan 8.210 nan 0.000 0.454 383 H N 2.125 121.364 119.070 0.281 0.000 3.017 383 H HA 0.792 5.347 4.556 -0.000 0.000 0.346 383 H C -0.946 174.596 175.328 0.358 0.000 1.286 383 H CA -0.944 55.302 56.048 0.330 0.000 1.120 383 H CB 0.709 30.449 29.762 -0.036 0.000 1.860 383 H HN 0.924 nan 8.280 nan 0.000 0.542 384 A N 0.098 123.140 122.820 0.370 0.000 2.531 384 A HA 0.466 4.786 4.320 -0.000 0.000 0.236 384 A C 1.541 179.409 177.584 0.472 0.000 1.062 384 A CA 0.965 53.159 52.037 0.260 0.000 0.760 384 A CB -1.193 17.885 19.000 0.130 0.000 0.995 384 A HN 1.946 nan 8.150 nan 0.000 0.501 385 G N 0.725 109.737 108.800 0.354 0.000 2.316 385 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.203 385 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.203 385 G C 0.574 175.701 174.900 0.378 0.000 0.999 385 G CA 0.442 45.774 45.100 0.386 0.000 0.649 385 G HN 0.727 nan 8.290 nan 0.000 0.489 386 Q N -0.508 119.428 119.800 0.226 0.000 2.247 386 Q HA 0.408 4.748 4.340 -0.000 0.000 0.211 386 Q C 2.091 178.134 176.000 0.072 0.000 0.861 386 Q CA 0.067 55.900 55.803 0.051 0.000 0.949 386 Q CB 0.296 28.975 28.738 -0.099 0.000 1.115 386 Q HN 0.402 nan 8.270 nan 0.000 0.507 387 M N 1.219 120.961 119.600 0.237 0.000 2.108 387 M HA -0.248 4.232 4.480 -0.000 0.000 0.257 387 M C 1.851 178.284 176.300 0.222 0.000 1.071 387 M CA 2.272 57.709 55.300 0.228 0.000 1.093 387 M CB -0.339 32.390 32.600 0.215 0.000 1.345 387 M HN 0.463 nan 8.290 nan 0.000 0.403 388 H N -2.364 116.801 119.070 0.159 0.000 2.389 388 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 388 H C 1.737 177.214 175.328 0.249 0.000 1.081 388 H CA 1.413 57.608 56.048 0.245 0.000 1.345 388 H CB -0.679 29.212 29.762 0.215 0.000 1.393 388 H HN 0.576 nan 8.280 nan 0.000 0.520 389 Q N 1.010 120.599 119.800 -0.352 0.000 2.049 389 Q HA -0.036 4.304 4.340 -0.000 0.000 0.198 389 Q C 2.495 178.560 176.000 0.107 0.000 0.971 389 Q CA 1.312 57.014 55.803 -0.168 0.000 0.833 389 Q CB -0.038 28.595 28.738 -0.175 0.000 0.896 389 Q HN 0.466 nan 8.270 nan 0.000 0.434 390 L N 0.614 121.893 121.223 0.092 0.000 1.990 390 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 390 L C 2.398 179.335 176.870 0.112 0.000 1.072 390 L CA 0.890 55.797 54.840 0.111 0.000 0.755 390 L CB -0.608 41.508 42.059 0.096 0.000 0.889 390 L HN 0.284 nan 8.230 nan 0.000 0.432 391 I N -0.719 119.924 120.570 0.120 0.000 2.226 391 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 391 I C 2.583 178.790 176.117 0.151 0.000 1.100 391 I CA 1.650 62.996 61.300 0.077 0.000 1.374 391 I CB -1.560 36.402 38.000 -0.064 0.000 1.057 391 I HN 0.454 nan 8.210 nan 0.000 0.413 392 H N 0.271 119.454 119.070 0.188 0.000 2.321 392 H HA -0.220 4.336 4.556 -0.000 0.000 0.300 392 H C 2.223 177.494 175.328 -0.096 0.000 1.087 392 H CA 2.044 58.141 56.048 0.081 0.000 1.319 392 H CB 0.006 29.670 29.762 -0.162 0.000 1.379 392 H HN 0.217 nan 8.280 nan 0.000 0.501 393 Y N 0.492 120.732 120.300 -0.100 0.000 2.269 393 Y HA 0.027 4.577 4.550 -0.000 0.000 0.294 393 Y C 2.676 178.380 175.900 -0.327 0.000 1.120 393 Y CA 0.675 58.635 58.100 -0.235 0.000 1.159 393 Y CB 0.049 38.439 38.460 -0.116 0.000 1.024 393 Y HN 0.113 nan 8.280 nan 0.000 0.532 394 L N -1.238 119.926 121.223 -0.098 0.000 2.607 394 L HA 0.359 4.699 4.340 -0.000 0.000 0.228 394 L C 1.233 178.055 176.870 -0.080 0.000 1.123 394 L CA 0.283 54.958 54.840 -0.275 0.000 0.890 394 L CB -0.802 41.199 42.059 -0.096 0.000 1.103 394 L HN 0.291 nan 8.230 nan 0.000 0.468 395 G N 1.382 110.160 108.800 -0.036 0.000 2.697 395 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.240 395 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.240 395 G C 0.427 175.351 174.900 0.041 0.000 1.346 395 G CA 0.467 45.575 45.100 0.013 0.000 0.887 395 G HN 0.342 nan 8.290 nan 0.000 0.569 396 E N -0.624 119.602 120.200 0.043 0.000 2.086 396 E HA -0.003 4.347 4.350 -0.000 0.000 0.190 396 E C 0.179 176.812 176.600 0.056 0.000 0.975 396 E CA 0.654 57.078 56.400 0.039 0.000 0.813 396 E CB 0.063 29.782 29.700 0.032 0.000 0.768 396 E HN 0.414 nan 8.360 nan 0.000 0.457 397 D N 1.549 121.992 120.400 0.072 0.000 2.453 397 D HA 0.176 4.816 4.640 -0.000 0.000 0.223 397 D C -0.788 175.556 176.300 0.074 0.000 1.183 397 D CA 0.218 54.255 54.000 0.061 0.000 0.933 397 D CB 1.220 42.050 40.800 0.051 0.000 1.038 397 D HN -0.024 nan 8.370 nan 0.000 0.513 398 V N 1.718 121.663 119.914 0.051 0.000 3.236 398 V HA 0.246 4.365 4.120 -0.000 0.000 0.287 398 V C -1.640 174.455 176.094 0.003 0.000 1.491 398 V CA -0.715 61.608 62.300 0.038 0.000 1.037 398 V CB 2.383 34.309 31.823 0.172 0.000 1.160 398 V HN 0.046 nan 8.190 nan 0.000 0.453 399 V N 6.056 125.939 119.914 -0.052 0.000 2.328 399 V HA 0.476 4.596 4.120 -0.000 0.000 0.278 399 V C -0.428 175.650 176.094 -0.027 0.000 1.021 399 V CA -0.572 61.717 62.300 -0.019 0.000 0.838 399 V CB 1.119 32.907 31.823 -0.058 0.000 0.999 399 V HN 0.617 nan 8.190 nan 0.000 0.447 400 L N 5.817 127.050 121.223 0.017 0.000 2.278 400 L HA 0.398 4.737 4.340 -0.000 0.000 0.287 400 L C 0.389 177.200 176.870 -0.099 0.000 1.072 400 L CA 0.381 55.176 54.840 -0.074 0.000 0.819 400 L CB 0.678 42.796 42.059 0.098 0.000 1.176 400 L HN 0.653 nan 8.230 nan 0.000 0.435 401 Q N 3.987 123.613 119.800 -0.290 0.000 2.325 401 Q HA 0.458 4.798 4.340 -0.000 0.000 0.262 401 Q C -1.335 174.452 176.000 -0.355 0.000 0.968 401 Q CA -0.275 55.416 55.803 -0.186 0.000 0.877 401 Q CB 1.506 30.152 28.738 -0.153 0.000 1.253 401 Q HN 0.336 nan 8.270 nan 0.000 0.448 402 F N 1.114 121.041 119.950 -0.038 0.000 2.366 402 F HA 0.355 4.882 4.527 -0.000 0.000 0.366 402 F C 0.971 176.743 175.800 -0.046 0.000 1.096 402 F CA -0.635 57.336 58.000 -0.049 0.000 1.060 402 F CB 1.277 40.257 39.000 -0.033 0.000 1.282 402 F HN 0.700 nan 8.300 nan 0.000 0.450 403 G N 1.803 110.640 108.800 0.062 0.000 2.648 403 G HA2 0.054 4.014 3.960 -0.000 0.000 0.217 403 G HA3 0.054 4.014 3.960 -0.000 0.000 0.217 403 G C 1.747 176.675 174.900 0.046 0.000 1.386 403 G CA 0.547 45.672 45.100 0.042 0.000 0.920 403 G HN 0.760 nan 8.290 nan 0.000 0.540 404 G N 0.561 109.368 108.800 0.011 0.000 2.448 404 G HA2 0.085 4.045 3.960 -0.000 0.000 0.219 404 G HA3 0.085 4.045 3.960 -0.000 0.000 0.219 404 G C 1.694 176.560 174.900 -0.057 0.000 1.127 404 G CA 1.361 46.468 45.100 0.012 0.000 0.766 404 G HN 0.701 nan 8.290 nan 0.000 0.552 405 G N -0.346 108.370 108.800 -0.140 0.000 2.498 405 G HA2 0.007 3.967 3.960 -0.000 0.000 0.219 405 G HA3 0.007 3.967 3.960 -0.000 0.000 0.219 405 G C 1.591 176.515 174.900 0.041 0.000 1.119 405 G CA 1.674 46.610 45.100 -0.274 0.000 0.766 405 G HN 0.419 nan 8.290 nan 0.000 0.552 406 T N 0.372 115.002 114.554 0.127 0.000 3.111 406 T HA 0.160 4.510 4.350 -0.000 0.000 0.236 406 T C 2.330 177.133 174.700 0.172 0.000 0.984 406 T CA 0.109 62.292 62.100 0.138 0.000 1.195 406 T CB 0.005 68.928 68.868 0.092 0.000 0.929 406 T HN 0.169 nan 8.240 nan 0.000 0.431 407 I N 1.677 122.328 120.570 0.134 0.000 2.546 407 I HA 0.026 4.196 4.170 -0.000 0.000 0.255 407 I C 2.637 178.868 176.117 0.190 0.000 1.163 407 I CA 0.888 62.261 61.300 0.121 0.000 1.457 407 I CB -0.454 37.584 38.000 0.064 0.000 1.092 407 I HN 0.303 nan 8.210 nan 0.000 0.434 408 G N -0.331 108.640 108.800 0.285 0.000 2.598 408 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.215 408 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.215 408 G C 0.787 175.915 174.900 0.380 0.000 1.131 408 G CA -0.025 45.304 45.100 0.382 0.000 0.785 408 G HN 0.353 nan 8.290 nan 0.000 0.539 409 H N 1.944 121.195 119.070 0.302 0.000 3.094 409 H HA 0.019 4.574 4.556 -0.000 0.000 0.320 409 H C -0.894 174.441 175.328 0.012 0.000 1.000 409 H CA -0.878 55.236 56.048 0.111 0.000 1.413 409 H CB 1.749 31.576 29.762 0.110 0.000 1.405 409 H HN 0.090 nan 8.280 nan 0.000 0.586 410 P HA -0.094 nan 4.420 nan 0.000 0.225 410 P C 0.226 177.586 177.300 0.099 0.000 1.148 410 P CA 0.855 63.932 63.100 -0.038 0.000 0.779 410 P CB 0.526 32.116 31.700 -0.183 0.000 0.780 411 D N -0.417 120.192 120.400 0.348 0.000 2.349 411 D HA 0.312 4.952 4.640 -0.000 0.000 0.214 411 D C 1.182 177.535 176.300 0.088 0.000 1.063 411 D CA 0.625 54.744 54.000 0.199 0.000 0.847 411 D CB 0.482 41.407 40.800 0.208 0.000 0.933 411 D HN 0.213 nan 8.370 nan 0.000 0.513 412 G N 0.122 108.986 108.800 0.108 0.000 2.459 412 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.685 412 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.685 412 G C 0.689 175.581 174.900 -0.013 0.000 1.303 412 G CA -0.659 44.456 45.100 0.025 0.000 0.907 412 G HN 0.077 nan 8.290 nan 0.000 0.632 413 I N 0.359 120.919 120.570 -0.017 0.000 2.208 413 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 413 I C 2.998 179.061 176.117 -0.090 0.000 1.097 413 I CA 1.990 63.272 61.300 -0.031 0.000 1.363 413 I CB -0.261 37.718 38.000 -0.034 0.000 1.051 413 I HN 0.662 nan 8.210 nan 0.000 0.413 414 Q N 0.516 120.244 119.800 -0.121 0.000 2.084 414 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 414 Q C 2.496 178.382 176.000 -0.190 0.000 0.978 414 Q CA 1.848 57.559 55.803 -0.153 0.000 0.844 414 Q CB -0.243 28.402 28.738 -0.155 0.000 0.898 414 Q HN 0.600 nan 8.270 nan 0.000 0.426 415 A N 0.832 123.495 122.820 -0.261 0.000 1.877 415 A HA -0.143 4.176 4.320 -0.000 0.000 0.216 415 A C 2.284 179.531 177.584 -0.562 0.000 1.186 415 A CA 1.765 53.533 52.037 -0.448 0.000 0.620 415 A CB -1.256 17.361 19.000 -0.637 0.000 0.822 415 A HN 0.504 nan 8.150 nan 0.000 0.443 416 G N -0.511 108.001 108.800 -0.481 0.000 2.446 416 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.217 416 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.217 416 G C 1.769 176.619 174.900 -0.083 0.000 1.168 416 G CA 1.696 46.718 45.100 -0.129 0.000 0.771 416 G HN 0.827 nan 8.290 nan 0.000 0.551 417 A N 0.303 123.060 122.820 -0.105 0.000 1.858 417 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 417 A C 2.542 180.059 177.584 -0.112 0.000 1.190 417 A CA 2.568 54.547 52.037 -0.096 0.000 0.617 417 A CB -1.136 17.811 19.000 -0.088 0.000 0.827 417 A HN 0.297 nan 8.150 nan 0.000 0.443 418 T N 0.488 114.969 114.554 -0.122 0.000 2.759 418 T HA -0.081 4.269 4.350 -0.000 0.000 0.269 418 T C 2.174 176.822 174.700 -0.086 0.000 1.042 418 T CA 1.678 63.717 62.100 -0.102 0.000 1.140 418 T CB -0.527 68.278 68.868 -0.105 0.000 0.864 418 T HN 0.626 nan 8.240 nan 0.000 0.455 419 A N 2.619 125.388 122.820 -0.086 0.000 1.883 419 A HA -0.202 4.117 4.320 -0.000 0.000 0.217 419 A C 2.299 179.843 177.584 -0.068 0.000 1.186 419 A CA 1.697 53.717 52.037 -0.028 0.000 0.624 419 A CB -0.653 18.390 19.000 0.072 0.000 0.822 419 A HN 0.428 nan 8.150 nan 0.000 0.444 420 N N -0.727 117.880 118.700 -0.155 0.000 2.142 420 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 420 N C 1.890 177.292 175.510 -0.180 0.000 1.023 420 N CA 1.536 54.401 53.050 -0.308 0.000 0.852 420 N CB -0.426 37.683 38.487 -0.631 0.000 0.998 420 N HN 0.471 nan 8.380 nan 0.000 0.424 421 R N 1.479 121.907 120.500 -0.121 0.000 2.073 421 R HA -0.008 4.331 4.340 -0.000 0.000 0.234 421 R C 1.989 178.260 176.300 -0.048 0.000 1.134 421 R CA 1.081 57.139 56.100 -0.070 0.000 0.952 421 R CB -0.839 29.422 30.300 -0.064 0.000 0.850 421 R HN -0.005 nan 8.270 nan 0.000 0.433 422 V N 0.937 120.824 119.914 -0.046 0.000 2.343 422 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 422 V C 2.404 178.490 176.094 -0.014 0.000 1.051 422 V CA 1.911 64.195 62.300 -0.026 0.000 1.036 422 V CB -1.081 30.730 31.823 -0.021 0.000 0.654 422 V HN 0.542 nan 8.190 nan 0.000 0.451 423 A N 0.012 122.823 122.820 -0.015 0.000 1.883 423 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 423 A C 2.195 179.789 177.584 0.017 0.000 1.186 423 A CA 2.341 54.385 52.037 0.010 0.000 0.624 423 A CB -0.677 18.331 19.000 0.013 0.000 0.822 423 A HN 0.458 nan 8.150 nan 0.000 0.444 424 L N -0.043 121.182 121.223 0.004 0.000 1.970 424 L HA -0.195 4.144 4.340 -0.000 0.000 0.212 424 L C 2.252 179.123 176.870 0.001 0.000 1.071 424 L CA 2.691 57.542 54.840 0.018 0.000 0.751 424 L CB -0.804 41.269 42.059 0.023 0.000 0.889 424 L HN 0.547 nan 8.230 nan 0.000 0.432 425 E N -0.551 119.645 120.200 -0.006 0.000 2.085 425 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 425 E C 2.154 178.748 176.600 -0.011 0.000 0.994 425 E CA 1.234 57.628 56.400 -0.009 0.000 0.801 425 E CB -0.365 29.329 29.700 -0.009 0.000 0.743 425 E HN 0.675 nan 8.360 nan 0.000 0.453 426 A N 0.637 123.454 122.820 -0.005 0.000 1.972 426 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 426 A C 2.068 179.649 177.584 -0.005 0.000 1.169 426 A CA 1.483 53.520 52.037 -0.001 0.000 0.635 426 A CB -0.351 18.653 19.000 0.006 0.000 0.810 426 A HN 0.185 nan 8.150 nan 0.000 0.446 427 M N 0.439 120.033 119.600 -0.009 0.000 2.156 427 M HA -0.011 4.469 4.480 -0.000 0.000 0.264 427 M C 1.943 178.169 176.300 -0.124 0.000 1.067 427 M CA 1.763 57.042 55.300 -0.035 0.000 1.131 427 M CB -0.600 31.994 32.600 -0.009 0.000 1.368 427 M HN 0.575 nan 8.290 nan 0.000 0.416 428 I N -2.787 117.718 120.570 -0.108 0.000 2.439 428 I HA -0.170 4.000 4.170 -0.000 0.000 0.251 428 I C 2.112 178.183 176.117 -0.077 0.000 1.139 428 I CA 0.886 62.109 61.300 -0.129 0.000 1.438 428 I CB -0.930 37.025 38.000 -0.075 0.000 1.085 428 I HN 0.258 nan 8.210 nan 0.000 0.427 429 L N 2.138 123.336 121.223 -0.042 0.000 2.042 429 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 429 L C 2.765 179.629 176.870 -0.010 0.000 1.076 429 L CA 2.546 57.375 54.840 -0.018 0.000 0.749 429 L CB -1.016 41.039 42.059 -0.008 0.000 0.893 429 L HN 0.430 nan 8.230 nan 0.000 0.432 430 A N -0.048 122.766 122.820 -0.010 0.000 1.930 430 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 430 A C 2.459 180.069 177.584 0.043 0.000 1.175 430 A CA 1.429 53.481 52.037 0.026 0.000 0.627 430 A CB -0.607 18.424 19.000 0.053 0.000 0.815 430 A HN 0.497 nan 8.150 nan 0.000 0.443 431 R N -0.140 120.338 120.500 -0.037 0.000 2.073 431 R HA -0.182 4.158 4.340 -0.000 0.000 0.234 431 R C 1.566 177.884 176.300 0.029 0.000 1.134 431 R CA 1.945 58.030 56.100 -0.025 0.000 0.952 431 R CB -0.399 29.723 30.300 -0.298 0.000 0.850 431 R HN 0.473 nan 8.270 nan 0.000 0.433 432 N N 1.003 119.700 118.700 -0.004 0.000 2.289 432 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 432 N C 0.584 176.108 175.510 0.023 0.000 1.016 432 N CA 1.101 54.157 53.050 0.010 0.000 0.872 432 N CB -0.004 38.483 38.487 0.001 0.000 0.973 432 N HN 0.412 nan 8.380 nan 0.000 0.433 433 E N 0.536 120.752 120.200 0.028 0.000 2.403 433 E HA 0.050 4.400 4.350 -0.000 0.000 0.187 433 E C -0.237 176.388 176.600 0.042 0.000 1.073 433 E CA -0.217 56.201 56.400 0.030 0.000 0.888 433 E CB -0.224 29.492 29.700 0.026 0.000 1.035 433 E HN 0.198 nan 8.360 nan 0.000 0.471 434 N N 1.721 120.455 118.700 0.056 0.000 2.708 434 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 434 N C -0.940 174.614 175.510 0.073 0.000 1.097 434 N CA 0.734 53.824 53.050 0.066 0.000 0.710 434 N CB -0.591 37.922 38.487 0.043 0.000 1.032 434 N HN 0.252 nan 8.380 nan 0.000 0.551 435 R N 0.329 120.888 120.500 0.098 0.000 2.500 435 R HA 0.156 4.496 4.340 -0.000 0.000 0.277 435 R C 0.168 176.534 176.300 0.111 0.000 1.026 435 R CA -0.629 55.523 56.100 0.088 0.000 1.058 435 R CB 0.538 30.890 30.300 0.086 0.000 1.078 435 R HN 0.041 nan 8.270 nan 0.000 0.509 436 D N 2.685 123.102 120.400 0.029 0.000 2.545 436 D HA -0.050 4.589 4.640 -0.000 0.000 0.227 436 D C 0.853 177.102 176.300 -0.085 0.000 1.150 436 D CA -0.198 53.763 54.000 -0.065 0.000 1.046 436 D CB -0.076 40.676 40.800 -0.080 0.000 1.098 436 D HN 0.540 nan 8.370 nan 0.000 0.502 437 Y N 0.925 121.229 120.300 0.007 0.000 2.384 437 Y HA -0.098 4.452 4.550 -0.000 0.000 0.289 437 Y C 1.745 177.662 175.900 0.028 0.000 1.152 437 Y CA 0.433 58.542 58.100 0.015 0.000 1.258 437 Y CB -0.429 38.056 38.460 0.043 0.000 0.979 437 Y HN 0.276 nan 8.280 nan 0.000 0.549 438 L N 0.064 120.979 121.223 -0.514 0.000 2.005 438 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 438 L C 2.237 179.052 176.870 -0.093 0.000 1.072 438 L CA 2.216 56.871 54.840 -0.309 0.000 0.744 438 L CB -0.564 41.142 42.059 -0.588 0.000 0.895 438 L HN 0.348 nan 8.230 nan 0.000 0.433 439 T N -0.686 113.779 114.554 -0.147 0.000 2.701 439 T HA -0.192 4.158 4.350 -0.000 0.000 0.263 439 T C 1.523 176.173 174.700 -0.083 0.000 1.040 439 T CA 1.404 63.447 62.100 -0.095 0.000 1.147 439 T CB -0.156 68.657 68.868 -0.090 0.000 0.865 439 T HN 0.367 nan 8.240 nan 0.000 0.426 440 E N 0.507 120.665 120.200 -0.070 0.000 2.511 440 E HA 0.114 4.464 4.350 -0.000 0.000 0.196 440 E C 2.234 178.774 176.600 -0.101 0.000 1.066 440 E CA 0.090 56.454 56.400 -0.060 0.000 0.871 440 E CB -0.240 29.450 29.700 -0.018 0.000 0.863 440 E HN 0.500 nan 8.360 nan 0.000 0.520 441 G N 2.790 111.486 108.800 -0.174 0.000 2.681 441 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 441 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 441 G C -0.820 173.814 174.900 -0.443 0.000 1.210 441 G CA 0.877 45.737 45.100 -0.400 0.000 0.783 441 G HN 0.266 nan 8.290 nan 0.000 0.609 442 P HA -0.062 nan 4.420 nan 0.000 0.216 442 P C 1.822 179.059 177.300 -0.105 0.000 1.150 442 P CA 1.247 64.215 63.100 -0.219 0.000 0.843 442 P CB 0.083 31.702 31.700 -0.136 0.000 0.787 443 E N -0.892 119.252 120.200 -0.094 0.000 2.158 443 E HA -0.035 4.315 4.350 -0.000 0.000 0.191 443 E C 2.029 178.609 176.600 -0.034 0.000 0.982 443 E CA 0.629 57.000 56.400 -0.049 0.000 0.823 443 E CB -0.524 29.153 29.700 -0.039 0.000 0.766 443 E HN 0.298 nan 8.360 nan 0.000 0.468 444 I N 0.710 121.257 120.570 -0.038 0.000 2.226 444 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 444 I C 2.294 178.410 176.117 -0.002 0.000 1.100 444 I CA 0.876 62.170 61.300 -0.009 0.000 1.374 444 I CB -0.190 37.818 38.000 0.012 0.000 1.057 444 I HN 0.062 nan 8.210 nan 0.000 0.413 445 L N -0.036 121.183 121.223 -0.007 0.000 2.109 445 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 445 L C 2.700 179.577 176.870 0.012 0.000 1.086 445 L CA 0.887 55.738 54.840 0.018 0.000 0.760 445 L CB -0.551 41.531 42.059 0.040 0.000 0.910 445 L HN 0.154 nan 8.230 nan 0.000 0.437 446 R N 0.800 121.299 120.500 -0.002 0.000 2.094 446 R HA -0.252 4.088 4.340 -0.000 0.000 0.239 446 R C 2.193 178.492 176.300 -0.002 0.000 1.137 446 R CA 1.931 58.030 56.100 -0.003 0.000 0.943 446 R CB -0.289 30.004 30.300 -0.012 0.000 0.850 446 R HN 0.202 nan 8.270 nan 0.000 0.433 447 E N -0.170 120.028 120.200 -0.003 0.000 2.023 447 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 447 E C 1.831 178.432 176.600 0.001 0.000 1.003 447 E CA 1.960 58.358 56.400 -0.002 0.000 0.809 447 E CB -0.546 29.152 29.700 -0.002 0.000 0.755 447 E HN 0.437 nan 8.360 nan 0.000 0.449 448 A N 0.773 123.596 122.820 0.004 0.000 1.917 448 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 448 A C 2.416 180.004 177.584 0.005 0.000 1.182 448 A CA 2.445 54.485 52.037 0.005 0.000 0.633 448 A CB -1.161 17.844 19.000 0.009 0.000 0.819 448 A HN 0.394 nan 8.150 nan 0.000 0.448 449 A N -0.663 122.162 122.820 0.009 0.000 2.125 449 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 449 A C 1.991 179.577 177.584 0.003 0.000 1.156 449 A CA 1.621 53.663 52.037 0.010 0.000 0.671 449 A CB -0.419 18.589 19.000 0.014 0.000 0.794 449 A HN 0.584 nan 8.150 nan 0.000 0.459 450 K N -0.926 119.474 120.400 0.000 0.000 2.147 450 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 450 K C 1.462 178.061 176.600 -0.003 0.000 1.049 450 K CA 1.708 57.994 56.287 -0.002 0.000 0.936 450 K CB -0.140 32.358 32.500 -0.003 0.000 0.722 450 K HN 0.487 nan 8.250 nan 0.000 0.446 451 T N -0.653 113.900 114.554 -0.002 0.000 3.037 451 T HA 0.026 4.376 4.350 -0.000 0.000 0.252 451 T C 0.426 175.124 174.700 -0.004 0.000 1.073 451 T CA 0.232 62.330 62.100 -0.004 0.000 1.091 451 T CB 0.230 69.096 68.868 -0.004 0.000 0.935 451 T HN 0.134 nan 8.240 nan 0.000 0.488 452 C N 2.301 121.600 119.300 -0.002 0.000 2.321 452 C HA 0.665 5.125 4.460 -0.000 0.000 0.323 452 C C 2.048 177.043 174.990 0.007 0.000 1.191 452 C CA -1.037 57.980 59.018 -0.002 0.000 1.455 452 C CB -0.317 27.420 27.740 -0.005 0.000 2.083 452 C HN 0.620 nan 8.230 nan 0.000 0.442 453 G N 3.190 111.994 108.800 0.006 0.000 2.450 453 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.220 453 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.220 453 G C 1.677 176.607 174.900 0.050 0.000 1.130 453 G CA 1.190 46.300 45.100 0.017 0.000 0.760 453 G HN 1.005 nan 8.290 nan 0.000 0.557 454 A N 0.568 123.415 122.820 0.045 0.000 1.892 454 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 454 A C 2.362 180.055 177.584 0.183 0.000 1.188 454 A CA 1.878 53.968 52.037 0.088 0.000 0.631 454 A CB -0.507 18.455 19.000 -0.063 0.000 0.822 454 A HN 0.505 nan 8.150 nan 0.000 0.447 455 L N -0.293 120.979 121.223 0.082 0.000 2.027 455 L HA -0.070 4.270 4.340 -0.000 0.000 0.206 455 L C 2.430 179.339 176.870 0.064 0.000 1.074 455 L CA 2.423 57.310 54.840 0.078 0.000 0.745 455 L CB -0.786 41.297 42.059 0.040 0.000 0.898 455 L HN 0.478 nan 8.230 nan 0.000 0.433 456 R N -1.025 119.497 120.500 0.037 0.000 2.094 456 R HA -0.198 4.142 4.340 -0.000 0.000 0.239 456 R C 2.068 178.356 176.300 -0.020 0.000 1.137 456 R CA 2.399 58.505 56.100 0.009 0.000 0.943 456 R CB -0.646 29.655 30.300 0.000 0.000 0.850 456 R HN 0.439 nan 8.270 nan 0.000 0.433 457 T N 0.512 115.055 114.554 -0.019 0.000 2.720 457 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 457 T C 1.760 176.318 174.700 -0.236 0.000 1.037 457 T CA 1.482 63.512 62.100 -0.116 0.000 1.144 457 T CB -0.309 68.504 68.868 -0.091 0.000 0.864 457 T HN 0.512 nan 8.240 nan 0.000 0.444 458 A N 1.012 123.759 122.820 -0.120 0.000 1.930 458 A HA 0.077 4.397 4.320 -0.000 0.000 0.217 458 A C 2.291 179.841 177.584 -0.056 0.000 1.175 458 A CA 1.009 52.972 52.037 -0.122 0.000 0.627 458 A CB -0.730 18.395 19.000 0.208 0.000 0.815 458 A HN 0.479 nan 8.150 nan 0.000 0.443 459 L N -0.382 120.844 121.223 0.005 0.000 2.083 459 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 459 L C 1.713 178.556 176.870 -0.046 0.000 1.083 459 L CA 1.300 56.159 54.840 0.032 0.000 0.752 459 L CB -0.580 41.504 42.059 0.043 0.000 0.899 459 L HN 0.329 nan 8.230 nan 0.000 0.433 460 D N -0.220 120.113 120.400 -0.113 0.000 2.224 460 D HA -0.116 4.523 4.640 -0.000 0.000 0.205 460 D C 2.214 178.374 176.300 -0.234 0.000 0.965 460 D CA 0.784 54.699 54.000 -0.143 0.000 0.852 460 D CB 0.217 40.934 40.800 -0.138 0.000 0.947 460 D HN 0.288 nan 8.370 nan 0.000 0.494 461 L N -0.641 120.340 121.223 -0.403 0.000 2.068 461 L HA -0.037 4.303 4.340 -0.000 0.000 0.204 461 L C 1.040 177.560 176.870 -0.584 0.000 1.076 461 L CA 0.876 55.324 54.840 -0.653 0.000 0.753 461 L CB 0.155 41.482 42.059 -1.220 0.000 0.910 461 L HN 0.108 nan 8.230 nan 0.000 0.439 462 W N -0.234 120.927 121.300 -0.232 0.000 2.966 462 W HA 0.165 4.825 4.660 -0.000 0.000 0.406 462 W C 1.773 178.071 176.519 -0.368 0.000 1.027 462 W CA -0.506 56.600 57.345 -0.399 0.000 1.930 462 W CB -0.218 28.777 29.460 -0.774 0.000 1.144 462 W HN 0.202 nan 8.180 nan 0.000 0.626 463 K N 1.138 121.532 120.400 -0.010 0.000 2.074 463 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 463 K C 0.654 177.313 176.600 0.098 0.000 1.048 463 K CA 1.921 58.250 56.287 0.069 0.000 0.926 463 K CB 0.108 32.627 32.500 0.032 0.000 0.713 463 K HN -0.116 nan 8.250 nan 0.000 0.444 464 D N 0.302 120.731 120.400 0.048 0.000 2.328 464 D HA 0.053 4.692 4.640 -0.000 0.000 0.221 464 D C -0.072 176.252 176.300 0.040 0.000 1.072 464 D CA 0.103 54.128 54.000 0.043 0.000 0.850 464 D CB 0.237 41.041 40.800 0.007 0.000 0.922 464 D HN 0.091 nan 8.370 nan 0.000 0.516 465 I N 1.184 121.806 120.570 0.086 0.000 2.452 465 I HA 0.119 4.289 4.170 -0.000 0.000 0.287 465 I C 0.911 177.044 176.117 0.028 0.000 1.079 465 I CA 0.400 61.727 61.300 0.045 0.000 1.387 465 I CB 0.684 38.762 38.000 0.130 0.000 1.404 465 I HN -0.211 nan 8.210 nan 0.000 0.522 466 T N 6.344 120.748 114.554 -0.250 0.000 2.887 466 T HA 0.694 5.043 4.350 -0.000 0.000 0.292 466 T C -1.266 173.062 174.700 -0.619 0.000 1.087 466 T CA -0.326 61.630 62.100 -0.241 0.000 1.009 466 T CB 1.084 69.894 68.868 -0.097 0.000 1.203 466 T HN 0.186 nan 8.240 nan 0.000 0.518 467 F N 2.467 122.451 119.950 0.058 0.000 2.931 467 F HA 0.438 4.965 4.527 -0.000 0.000 0.375 467 F C -0.280 175.540 175.800 0.034 0.000 1.243 467 F CA -0.938 57.128 58.000 0.109 0.000 1.206 467 F CB 0.729 39.829 39.000 0.167 0.000 1.643 467 F HN 0.359 nan 8.300 nan 0.000 0.593 468 N N 2.566 121.197 118.700 -0.116 0.000 2.546 468 N HA 0.463 5.203 4.740 -0.000 0.000 0.238 468 N C -1.456 173.807 175.510 -0.411 0.000 0.984 468 N CA -0.426 52.524 53.050 -0.167 0.000 0.935 468 N CB 0.719 39.108 38.487 -0.163 0.000 1.122 468 N HN 0.292 nan 8.380 nan 0.000 0.510 469 Y N -0.726 119.609 120.300 0.059 0.000 2.553 469 Y HA 0.407 4.957 4.550 -0.000 0.000 0.347 469 Y C 0.381 176.297 175.900 0.026 0.000 1.019 469 Y CA -1.105 57.021 58.100 0.044 0.000 1.032 469 Y CB 1.376 39.868 38.460 0.053 0.000 1.284 469 Y HN 0.150 nan 8.280 nan 0.000 0.466 470 T N 1.389 116.049 114.554 0.178 0.000 2.916 470 T HA 0.155 4.504 4.350 -0.000 0.000 0.303 470 T C 0.150 174.905 174.700 0.092 0.000 1.025 470 T CA -0.227 61.934 62.100 0.101 0.000 1.142 470 T CB 0.310 69.223 68.868 0.076 0.000 0.947 470 T HN 0.532 nan 8.240 nan 0.000 0.544 471 S N 1.808 117.544 115.700 0.060 0.000 2.580 471 S HA 0.219 4.689 4.470 -0.000 0.000 0.274 471 S C 1.801 176.427 174.600 0.042 0.000 1.329 471 S CA -0.654 57.572 58.200 0.044 0.000 1.036 471 S CB 1.063 64.277 63.200 0.023 0.000 0.919 471 S HN 0.924 nan 8.310 nan 0.000 0.515 472 T N -1.333 113.245 114.554 0.039 0.000 3.010 472 T HA 0.059 4.409 4.350 -0.000 0.000 0.252 472 T C 0.374 175.110 174.700 0.059 0.000 1.047 472 T CA 0.280 62.407 62.100 0.044 0.000 1.140 472 T CB -0.222 68.668 68.868 0.036 0.000 0.885 472 T HN 0.481 nan 8.240 nan 0.000 0.464 473 D N 2.220 122.658 120.400 0.064 0.000 2.500 473 D HA 0.332 4.972 4.640 -0.000 0.000 0.219 473 D C -0.741 175.601 176.300 0.070 0.000 1.137 473 D CA -0.056 53.998 54.000 0.090 0.000 0.946 473 D CB 0.239 41.113 40.800 0.122 0.000 1.022 473 D HN 0.189 nan 8.370 nan 0.000 0.518 474 T N 1.046 115.642 114.554 0.070 0.000 2.945 474 T HA 0.340 4.690 4.350 -0.000 0.000 0.286 474 T C -0.049 174.698 174.700 0.080 0.000 1.025 474 T CA -0.698 61.434 62.100 0.054 0.000 1.039 474 T CB 1.555 70.448 68.868 0.041 0.000 1.068 474 T HN 0.189 nan 8.240 nan 0.000 0.497 475 S N 0.478 116.218 115.700 0.067 0.000 2.564 475 S HA 0.071 4.541 4.470 -0.000 0.000 0.278 475 S C 0.651 175.316 174.600 0.109 0.000 1.333 475 S CA -0.494 57.771 58.200 0.110 0.000 1.048 475 S CB 0.158 63.408 63.200 0.083 0.000 0.900 475 S HN 0.614 nan 8.310 nan 0.000 0.505 476 D N 2.778 123.281 120.400 0.172 0.000 2.350 476 D HA 0.077 4.717 4.640 -0.000 0.000 0.213 476 D C -0.428 175.617 176.300 -0.425 0.000 1.031 476 D CA 0.669 54.610 54.000 -0.098 0.000 0.861 476 D CB 0.125 40.875 40.800 -0.085 0.000 0.926 476 D HN 0.541 nan 8.370 nan 0.000 0.520 477 F N 0.916 120.887 119.950 0.035 0.000 2.761 477 F HA 0.159 4.685 4.527 -0.000 0.000 0.367 477 F C 0.363 176.158 175.800 -0.008 0.000 1.386 477 F CA -0.867 57.139 58.000 0.010 0.000 1.177 477 F CB 0.268 39.254 39.000 -0.023 0.000 1.092 477 F HN -0.315 nan 8.300 nan 0.000 0.517 478 V N 0.000 119.975 119.914 0.101 0.000 2.409 478 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 478 V CA 0.000 62.338 62.300 0.063 0.000 1.235 478 V CB 0.000 31.849 31.823 0.044 0.000 1.184 478 V HN 0.000 nan 8.190 nan 0.000 0.556