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 3fsx_1_A DATA FIRST_RESID 4 DATA SEQUENCE VTGAAGIGLA TLAADGSVLD TWFPAPELTE SGTSATSRLA VSDVPVELAA DATA SEQUENCE LIGRDDDRRT ETIAVRTVIG SLDDVAADPY DAYLRLHLLS HRLVAPHGLN DATA SEQUENCE AGGLFGVLTN VVWTNHGPCA IDGFEAVRAR LRRRGPVTVY GVDKFPRMVD DATA SEQUENCE YVVPTGVRIA DADRVRLGAH LAPGTTVMHE GFVNYNAGTL GASMVEGRIS DATA SEQUENCE AGVVVGDGSD VGGGASIMGT XXXXXXXVIS IGKRCLLGAN SGLGISLGDD DATA SEQUENCE CVVEAGLYVT AGTRVTMPDS NSVKARELSG SSNLLFRRNS VSGAVEVLAR DATA SEQUENCE DGQGIAL 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.094 176.094 0.001 0.000 1.182 4 V CA 0.000 62.302 62.300 0.003 0.000 1.235 4 V CB 0.000 31.825 31.823 0.003 0.000 1.184 5 T N 6.148 120.702 114.554 0.001 0.000 2.867 5 T HA 0.813 5.163 4.350 0.000 0.000 0.282 5 T C 0.444 175.140 174.700 -0.007 0.000 1.000 5 T CA 0.390 62.489 62.100 -0.003 0.000 1.042 5 T CB 1.554 70.422 68.868 -0.000 0.000 0.973 5 T HN 1.245 nan 8.240 nan 0.000 0.465 6 G N 0.700 109.492 108.800 -0.014 0.000 2.828 6 G HA2 0.853 4.813 3.960 0.000 0.000 0.244 6 G HA3 0.853 4.813 3.960 0.000 0.000 0.244 6 G C -1.174 173.705 174.900 -0.034 0.000 1.365 6 G CA -0.543 44.544 45.100 -0.021 0.000 1.041 6 G HN 1.002 nan 8.290 nan 0.000 0.560 7 A N -2.477 120.312 122.820 -0.052 0.000 2.601 7 A HA 0.952 5.272 4.320 0.000 0.000 0.291 7 A C -0.841 176.681 177.584 -0.104 0.000 1.075 7 A CA 0.124 52.113 52.037 -0.080 0.000 0.671 7 A CB 1.162 20.105 19.000 -0.096 0.000 1.277 7 A HN 2.357 nan 8.150 nan 0.000 0.417 8 A N -0.696 122.043 122.820 -0.136 0.000 2.604 8 A HA 0.962 5.282 4.320 0.000 0.000 0.295 8 A C -0.333 177.139 177.584 -0.187 0.000 1.067 8 A CA -0.025 51.928 52.037 -0.140 0.000 0.683 8 A CB 1.428 20.379 19.000 -0.081 0.000 1.281 8 A HN 2.596 nan 8.150 nan 0.000 0.407 9 G N 0.096 108.794 108.800 -0.170 0.000 2.755 9 G HA2 0.553 4.513 3.960 0.000 0.000 0.297 9 G HA3 0.553 4.513 3.960 0.000 0.000 0.297 9 G C -1.325 173.676 174.900 0.169 0.000 1.441 9 G CA -0.537 44.507 45.100 -0.094 0.000 0.964 9 G HN 0.715 nan 8.290 nan 0.000 0.540 10 I N 1.295 121.944 120.570 0.133 0.000 2.395 10 I HA 0.568 4.738 4.170 0.000 0.000 0.289 10 I C 0.966 177.096 176.117 0.021 0.000 1.023 10 I CA -0.026 61.312 61.300 0.063 0.000 1.350 10 I CB 1.664 39.641 38.000 -0.039 0.000 1.409 10 I HN 0.583 nan 8.210 nan 0.000 0.507 11 G N 5.715 114.407 108.800 -0.180 0.000 2.574 11 G HA2 0.629 4.589 3.960 0.000 0.000 0.299 11 G HA3 0.629 4.589 3.960 0.000 0.000 0.299 11 G C -1.830 172.842 174.900 -0.381 0.000 1.298 11 G CA -0.572 44.142 45.100 -0.643 0.000 0.952 11 G HN 0.388 nan 8.290 nan 0.000 0.477 12 L N 1.769 122.797 121.223 -0.325 0.000 2.277 12 L HA 0.764 5.104 4.340 0.000 0.000 0.284 12 L C 0.477 177.309 176.870 -0.063 0.000 1.028 12 L CA -0.562 54.221 54.840 -0.095 0.000 0.835 12 L CB 0.680 42.787 42.059 0.080 0.000 1.215 12 L HN 0.698 nan 8.230 nan 0.000 0.425 13 A N 3.167 125.959 122.820 -0.047 0.000 2.306 13 A HA 0.746 5.066 4.320 0.000 0.000 0.314 13 A C -0.098 177.490 177.584 0.005 0.000 1.164 13 A CA -0.380 51.649 52.037 -0.013 0.000 0.822 13 A CB 0.458 19.542 19.000 0.139 0.000 1.130 13 A HN 0.652 nan 8.150 nan 0.000 0.496 14 T N 3.384 117.925 114.554 -0.022 0.000 2.771 14 T HA 0.541 4.891 4.350 0.000 0.000 0.281 14 T C -0.222 174.448 174.700 -0.050 0.000 0.982 14 T CA -0.087 62.003 62.100 -0.017 0.000 0.978 14 T CB 0.286 69.151 68.868 -0.004 0.000 0.930 14 T HN 0.445 nan 8.240 nan 0.000 0.447 15 L N 2.206 123.411 121.223 -0.031 0.000 2.331 15 L HA 0.768 5.108 4.340 0.000 0.000 0.275 15 L C 0.831 177.676 176.870 -0.042 0.000 1.022 15 L CA -1.352 53.462 54.840 -0.043 0.000 0.812 15 L CB 1.284 43.336 42.059 -0.012 0.000 1.257 15 L HN 0.655 nan 8.230 nan 0.000 0.435 16 A N 1.446 124.233 122.820 -0.055 0.000 2.292 16 A HA 0.512 4.832 4.320 0.000 0.000 0.265 16 A C 1.247 178.814 177.584 -0.029 0.000 1.133 16 A CA 0.534 52.543 52.037 -0.047 0.000 0.807 16 A CB 0.231 19.196 19.000 -0.059 0.000 1.102 16 A HN 0.939 nan 8.150 nan 0.000 0.502 17 A N -0.254 122.551 122.820 -0.024 0.000 1.972 17 A HA -0.098 4.222 4.320 0.000 0.000 0.219 17 A C 1.316 178.890 177.584 -0.016 0.000 1.169 17 A CA 1.980 54.006 52.037 -0.018 0.000 0.635 17 A CB -0.597 18.393 19.000 -0.017 0.000 0.810 17 A HN 0.861 nan 8.150 nan 0.000 0.446 18 D N -2.347 118.041 120.400 -0.020 0.000 2.328 18 D HA 0.294 4.934 4.640 0.000 0.000 0.221 18 D C 1.109 177.399 176.300 -0.016 0.000 1.072 18 D CA 0.811 54.801 54.000 -0.017 0.000 0.850 18 D CB -0.495 40.293 40.800 -0.020 0.000 0.922 18 D HN 0.724 nan 8.370 nan 0.000 0.516 19 G N -0.253 108.537 108.800 -0.017 0.000 2.175 19 G HA2 -0.276 3.684 3.960 0.000 0.000 0.244 19 G HA3 -0.276 3.684 3.960 0.000 0.000 0.244 19 G C 0.332 175.216 174.900 -0.026 0.000 0.982 19 G CA 0.180 45.274 45.100 -0.010 0.000 0.641 19 G HN 0.418 nan 8.290 nan 0.000 0.527 20 S N 0.022 115.694 115.700 -0.046 0.000 2.562 20 S HA 0.424 4.894 4.470 0.000 0.000 0.281 20 S C 0.754 175.290 174.600 -0.107 0.000 1.333 20 S CA -0.187 57.968 58.200 -0.074 0.000 1.052 20 S CB 2.015 65.169 63.200 -0.077 0.000 0.884 20 S HN 0.728 nan 8.310 nan 0.000 0.506 21 V N 5.273 125.087 119.914 -0.167 0.000 2.415 21 V HA 0.055 4.175 4.120 0.000 0.000 0.267 21 V C 1.195 177.187 176.094 -0.169 0.000 1.042 21 V CA 0.184 62.341 62.300 -0.239 0.000 1.000 21 V CB -0.177 31.346 31.823 -0.500 0.000 1.015 21 V HN 0.807 nan 8.190 nan 0.000 0.478 22 L N 3.215 124.344 121.223 -0.156 0.000 2.084 22 L HA 0.179 4.519 4.340 0.000 0.000 0.202 22 L C 0.858 177.669 176.870 -0.099 0.000 1.074 22 L CA 0.962 55.711 54.840 -0.152 0.000 0.757 22 L CB 0.003 41.946 42.059 -0.194 0.000 0.918 22 L HN 0.865 nan 8.230 nan 0.000 0.444 23 D N -2.218 118.055 120.400 -0.211 0.000 2.677 23 D HA 0.294 4.934 4.640 0.000 0.000 0.298 23 D C -0.998 174.946 176.300 -0.594 0.000 1.250 23 D CA -0.380 53.264 54.000 -0.593 0.000 0.888 23 D CB 2.067 42.875 40.800 0.014 0.000 1.397 23 D HN -0.234 nan 8.370 nan 0.000 0.461 24 T N 0.272 114.339 114.554 -0.812 0.000 3.071 24 T HA 0.355 4.705 4.350 0.000 0.000 0.311 24 T C -1.735 172.943 174.700 -0.037 0.000 1.042 24 T CA -0.535 61.344 62.100 -0.369 0.000 1.028 24 T CB 0.940 69.561 68.868 -0.411 0.000 1.068 24 T HN 0.474 nan 8.240 nan 0.000 0.451 25 W N 5.320 126.544 121.300 -0.126 0.000 2.349 25 W HA 0.707 5.367 4.660 0.000 0.000 0.309 25 W C -2.021 174.346 176.519 -0.253 0.000 1.083 25 W CA -2.069 55.376 57.345 0.167 0.000 1.224 25 W CB 0.255 29.809 29.460 0.156 0.000 1.256 25 W HN 0.550 nan 8.180 nan 0.000 0.461 26 F N 9.326 129.051 119.950 -0.374 0.000 2.325 26 F HA 0.290 4.817 4.527 0.000 0.000 0.369 26 F C -1.282 174.251 175.800 -0.444 0.000 1.095 26 F CA -2.164 55.515 58.000 -0.535 0.000 1.082 26 F CB 1.357 40.008 39.000 -0.582 0.000 1.289 26 F HN 0.238 nan 8.300 nan 0.000 0.462 27 P HA -0.102 nan 4.420 nan 0.000 0.217 27 P C 0.208 177.513 177.300 0.008 0.000 1.150 27 P CA 0.970 63.891 63.100 -0.298 0.000 0.832 27 P CB 0.418 31.841 31.700 -0.463 0.000 0.787 28 A N -0.810 121.967 122.820 -0.071 0.000 3.317 28 A HA 0.424 4.744 4.320 0.000 0.000 0.307 28 A C -2.459 175.045 177.584 -0.133 0.000 1.003 28 A CA -1.214 50.784 52.037 -0.066 0.000 0.882 28 A CB -0.178 18.803 19.000 -0.033 0.000 1.136 28 A HN 0.022 nan 8.150 nan 0.000 0.488 29 P HA 0.283 nan 4.420 nan 0.000 0.270 29 P C -0.447 176.745 177.300 -0.180 0.000 1.223 29 P CA 0.433 63.376 63.100 -0.261 0.000 0.785 29 P CB 0.772 32.263 31.700 -0.349 0.000 0.923 30 E N 0.555 120.667 120.200 -0.146 0.000 2.412 30 E HA 0.439 4.789 4.350 0.000 0.000 0.279 30 E C -1.100 175.456 176.600 -0.075 0.000 0.984 30 E CA -1.029 55.319 56.400 -0.087 0.000 0.788 30 E CB 0.844 30.508 29.700 -0.061 0.000 1.277 30 E HN 0.201 nan 8.360 nan 0.000 0.455 31 L N 1.285 122.482 121.223 -0.044 0.000 2.418 31 L HA 0.520 4.860 4.340 0.000 0.000 0.265 31 L C 0.385 177.236 176.870 -0.031 0.000 1.143 31 L CA -0.150 54.670 54.840 -0.034 0.000 0.809 31 L CB 1.228 43.279 42.059 -0.014 0.000 1.124 31 L HN 0.891 nan 8.230 nan 0.000 0.456 32 T N -2.290 112.246 114.554 -0.029 0.000 2.816 32 T HA 0.334 4.684 4.350 0.000 0.000 0.299 32 T C -0.528 174.162 174.700 -0.018 0.000 1.230 32 T CA -1.057 61.028 62.100 -0.025 0.000 1.007 32 T CB 1.484 70.332 68.868 -0.032 0.000 1.289 32 T HN 0.498 nan 8.240 nan 0.000 0.508 33 E N 1.421 121.612 120.200 -0.015 0.000 2.436 33 E HA 0.296 4.646 4.350 0.000 0.000 0.262 33 E C 0.525 177.118 176.600 -0.012 0.000 1.063 33 E CA -0.119 56.275 56.400 -0.011 0.000 0.944 33 E CB 0.493 30.188 29.700 -0.009 0.000 0.950 33 E HN 0.778 nan 8.360 nan 0.000 0.444 34 S N 0.937 116.632 115.700 -0.008 0.000 2.563 34 S HA 0.350 4.820 4.470 0.000 0.000 0.284 34 S C 0.360 174.955 174.600 -0.008 0.000 1.331 34 S CA -0.055 58.141 58.200 -0.007 0.000 1.047 34 S CB 1.326 64.524 63.200 -0.003 0.000 0.859 34 S HN 0.658 nan 8.310 nan 0.000 0.514 35 G N 0.979 109.774 108.800 -0.009 0.000 2.827 35 G HA2 0.586 4.546 3.960 0.000 0.000 0.202 35 G HA3 0.586 4.546 3.960 0.000 0.000 0.202 35 G C -1.340 173.555 174.900 -0.008 0.000 1.185 35 G CA -0.573 44.521 45.100 -0.010 0.000 0.920 35 G HN 0.797 nan 8.290 nan 0.000 0.550 36 T N 1.419 115.967 114.554 -0.010 0.000 2.809 36 T HA 0.576 4.926 4.350 0.000 0.000 0.284 36 T C -0.136 174.559 174.700 -0.008 0.000 0.992 36 T CA -0.170 61.926 62.100 -0.007 0.000 0.957 36 T CB 1.374 70.239 68.868 -0.006 0.000 0.942 36 T HN 0.432 nan 8.240 nan 0.000 0.439 37 S N 2.794 118.493 115.700 -0.002 0.000 2.525 37 S HA 0.551 5.021 4.470 0.000 0.000 0.285 37 S C 0.244 174.845 174.600 0.001 0.000 1.283 37 S CA -0.444 57.757 58.200 0.002 0.000 1.072 37 S CB 0.073 63.280 63.200 0.012 0.000 0.867 37 S HN 1.018 nan 8.310 nan 0.000 0.492 38 A N 3.336 126.152 122.820 -0.006 0.000 2.586 38 A HA 0.594 4.915 4.320 0.000 0.000 0.296 38 A C -0.624 176.933 177.584 -0.046 0.000 1.040 38 A CA -0.838 51.189 52.037 -0.017 0.000 0.701 38 A CB 1.058 20.045 19.000 -0.022 0.000 1.277 38 A HN 0.530 nan 8.150 nan 0.000 0.413 39 T N 2.249 116.750 114.554 -0.089 0.000 2.807 39 T HA 0.734 5.084 4.350 0.000 0.000 0.279 39 T C 0.011 174.592 174.700 -0.199 0.000 0.993 39 T CA 0.124 62.098 62.100 -0.210 0.000 0.970 39 T CB 1.202 69.762 68.868 -0.513 0.000 0.950 39 T HN 1.407 nan 8.240 nan 0.000 0.441 40 S N 3.015 118.614 115.700 -0.169 0.000 2.568 40 S HA 0.649 5.119 4.470 0.000 0.000 0.293 40 S C -0.593 173.931 174.600 -0.127 0.000 1.089 40 S CA -1.326 56.801 58.200 -0.122 0.000 0.945 40 S CB 1.426 64.582 63.200 -0.074 0.000 1.077 40 S HN 0.463 nan 8.310 nan 0.000 0.485 41 R N 1.532 121.976 120.500 -0.094 0.000 2.401 41 R HA 0.260 4.600 4.340 0.000 0.000 0.299 41 R C -0.307 175.959 176.300 -0.056 0.000 1.064 41 R CA -0.230 55.826 56.100 -0.072 0.000 1.000 41 R CB -0.005 30.268 30.300 -0.045 0.000 0.973 41 R HN 0.667 nan 8.270 nan 0.000 0.438 42 L N 2.731 123.922 121.223 -0.053 0.000 2.455 42 L HA 0.073 4.413 4.340 0.000 0.000 0.272 42 L C 1.028 177.879 176.870 -0.031 0.000 1.174 42 L CA -0.124 54.691 54.840 -0.042 0.000 0.869 42 L CB 0.636 42.669 42.059 -0.043 0.000 1.130 42 L HN 0.654 nan 8.230 nan 0.000 0.474 43 A N 3.792 126.596 122.820 -0.026 0.000 2.448 43 A HA 0.152 4.472 4.320 0.000 0.000 0.239 43 A C 1.350 178.923 177.584 -0.018 0.000 1.080 43 A CA -0.407 51.618 52.037 -0.020 0.000 0.779 43 A CB 0.516 19.505 19.000 -0.018 0.000 1.026 43 A HN 0.628 nan 8.150 nan 0.000 0.499 44 V N 1.801 121.706 119.914 -0.014 0.000 2.250 44 V HA -0.308 3.812 4.120 0.000 0.000 0.250 44 V C 2.764 178.851 176.094 -0.012 0.000 1.060 44 V CA 3.047 65.340 62.300 -0.012 0.000 1.030 44 V CB -0.927 30.891 31.823 -0.009 0.000 0.643 44 V HN 1.159 nan 8.190 nan 0.000 0.445 45 S N -1.063 114.630 115.700 -0.012 0.000 2.555 45 S HA -0.111 4.360 4.470 0.000 0.000 0.230 45 S C 1.146 175.737 174.600 -0.014 0.000 0.978 45 S CA 1.143 59.336 58.200 -0.011 0.000 0.934 45 S CB -0.260 62.934 63.200 -0.010 0.000 0.766 45 S HN 0.644 nan 8.310 nan 0.000 0.533 46 D N 1.016 121.406 120.400 -0.018 0.000 2.369 46 D HA 0.230 4.870 4.640 0.000 0.000 0.211 46 D C -0.234 176.051 176.300 -0.026 0.000 1.077 46 D CA 0.034 54.021 54.000 -0.021 0.000 0.842 46 D CB 0.668 41.454 40.800 -0.024 0.000 0.947 46 D HN 0.256 nan 8.370 nan 0.000 0.509 47 V N 3.081 122.981 119.914 -0.024 0.000 2.455 47 V HA 0.180 4.300 4.120 0.000 0.000 0.273 47 V C -1.918 174.161 176.094 -0.025 0.000 1.045 47 V CA -1.380 60.903 62.300 -0.028 0.000 0.976 47 V CB 0.858 32.668 31.823 -0.022 0.000 0.993 47 V HN -0.078 nan 8.190 nan 0.000 0.475 48 P HA 0.054 nan 4.420 nan 0.000 0.269 48 P C 1.025 178.316 177.300 -0.015 0.000 1.209 48 P CA -0.173 62.911 63.100 -0.026 0.000 0.776 48 P CB 0.619 32.293 31.700 -0.043 0.000 0.876 49 V N 0.954 120.865 119.914 -0.005 0.000 2.407 49 V HA -0.226 3.894 4.120 0.000 0.000 0.248 49 V C 1.811 177.913 176.094 0.014 0.000 1.055 49 V CA 1.940 64.243 62.300 0.005 0.000 1.049 49 V CB -1.394 30.433 31.823 0.007 0.000 0.662 49 V HN 0.593 nan 8.190 nan 0.000 0.455 50 E N 1.545 121.755 120.200 0.017 0.000 2.204 50 E HA -0.189 4.161 4.350 0.000 0.000 0.195 50 E C 2.063 178.691 176.600 0.047 0.000 0.990 50 E CA 1.720 58.144 56.400 0.039 0.000 0.821 50 E CB -0.606 29.124 29.700 0.051 0.000 0.750 50 E HN 0.665 nan 8.360 nan 0.000 0.477 51 L N 0.202 121.432 121.223 0.012 0.000 2.446 51 L HA 0.205 4.545 4.340 0.000 0.000 0.219 51 L C 2.575 179.458 176.870 0.021 0.000 1.116 51 L CA 0.520 55.368 54.840 0.014 0.000 0.844 51 L CB -0.311 41.718 42.059 -0.050 0.000 0.970 51 L HN 0.104 nan 8.230 nan 0.000 0.457 52 A N 0.615 123.443 122.820 0.013 0.000 1.969 52 A HA -0.045 4.275 4.320 0.000 0.000 0.218 52 A C 2.403 179.999 177.584 0.021 0.000 1.169 52 A CA 1.451 53.495 52.037 0.011 0.000 0.635 52 A CB -0.389 18.615 19.000 0.006 0.000 0.810 52 A HN 0.340 nan 8.150 nan 0.000 0.445 53 A N -0.851 121.987 122.820 0.030 0.000 2.209 53 A HA 0.287 4.607 4.320 0.000 0.000 0.212 53 A C 1.725 179.333 177.584 0.041 0.000 1.158 53 A CA 0.789 52.845 52.037 0.032 0.000 0.742 53 A CB -0.372 18.648 19.000 0.034 0.000 0.790 53 A HN 0.461 nan 8.150 nan 0.000 0.472 54 L N -0.897 120.358 121.223 0.052 0.000 2.638 54 L HA 0.318 4.658 4.340 0.000 0.000 0.232 54 L C 0.237 177.138 176.870 0.052 0.000 1.099 54 L CA -0.137 54.743 54.840 0.067 0.000 0.883 54 L CB -0.004 42.125 42.059 0.116 0.000 1.136 54 L HN 0.220 nan 8.230 nan 0.000 0.492 55 I N 0.461 121.053 120.570 0.036 0.000 2.575 55 I HA 0.400 4.570 4.170 0.000 0.000 0.285 55 I C 0.729 176.859 176.117 0.022 0.000 1.085 55 I CA 0.223 61.539 61.300 0.026 0.000 1.403 55 I CB 1.081 39.089 38.000 0.014 0.000 1.409 55 I HN 0.093 nan 8.210 nan 0.000 0.557 56 G N 5.230 114.042 108.800 0.019 0.000 2.317 56 G HA2 0.367 4.327 3.960 0.000 0.000 0.293 56 G HA3 0.367 4.327 3.960 0.000 0.000 0.293 56 G C -1.629 173.279 174.900 0.013 0.000 1.287 56 G CA -1.007 44.102 45.100 0.015 0.000 0.850 56 G HN 0.487 nan 8.290 nan 0.000 0.515 57 R N 0.092 120.598 120.500 0.009 0.000 2.561 57 R HA 0.511 4.851 4.340 0.000 0.000 0.297 57 R C -1.625 174.678 176.300 0.004 0.000 0.969 57 R CA -0.839 55.264 56.100 0.005 0.000 0.879 57 R CB 2.380 32.681 30.300 0.001 0.000 1.178 57 R HN 0.436 nan 8.270 nan 0.000 0.445 58 D N 1.982 122.383 120.400 0.002 0.000 2.454 58 D HA 0.096 4.736 4.640 0.000 0.000 0.225 58 D C -0.168 176.124 176.300 -0.014 0.000 1.081 58 D CA -0.316 53.683 54.000 -0.002 0.000 0.864 58 D CB 1.127 41.931 40.800 0.007 0.000 1.040 58 D HN 0.416 nan 8.370 nan 0.000 0.517 59 D N 2.317 122.705 120.400 -0.019 0.000 2.264 59 D HA -0.120 4.520 4.640 0.000 0.000 0.208 59 D C 0.927 177.203 176.300 -0.040 0.000 0.966 59 D CA 0.739 54.723 54.000 -0.026 0.000 0.864 59 D CB 0.428 41.213 40.800 -0.025 0.000 0.933 59 D HN 0.498 nan 8.370 nan 0.000 0.499 60 D N 0.127 120.496 120.400 -0.051 0.000 2.162 60 D HA -0.018 4.622 4.640 0.000 0.000 0.203 60 D C 1.974 178.227 176.300 -0.079 0.000 0.967 60 D CA 0.542 54.495 54.000 -0.079 0.000 0.840 60 D CB 0.017 40.751 40.800 -0.109 0.000 0.972 60 D HN 0.141 nan 8.370 nan 0.000 0.482 61 R N -0.107 120.361 120.500 -0.053 0.000 2.246 61 R HA 0.163 4.503 4.340 0.000 0.000 0.199 61 R C 0.082 176.369 176.300 -0.022 0.000 0.984 61 R CA -0.030 56.052 56.100 -0.030 0.000 1.015 61 R CB 0.408 30.709 30.300 0.001 0.000 0.930 61 R HN -0.099 nan 8.270 nan 0.000 0.475 62 R N 0.706 121.190 120.500 -0.026 0.000 3.423 62 R HA -0.123 4.217 4.340 0.000 0.000 0.271 62 R C -0.527 175.763 176.300 -0.015 0.000 1.093 62 R CA 1.308 57.395 56.100 -0.021 0.000 0.730 62 R CB -2.971 27.314 30.300 -0.024 0.000 1.190 62 R HN 0.457 nan 8.270 nan 0.000 0.437 63 T N -2.451 112.097 114.554 -0.011 0.000 2.927 63 T HA 0.720 5.070 4.350 0.000 0.000 0.286 63 T C 0.027 174.726 174.700 -0.003 0.000 1.040 63 T CA -0.883 61.212 62.100 -0.009 0.000 1.010 63 T CB 2.970 71.833 68.868 -0.007 0.000 1.177 63 T HN 0.301 nan 8.240 nan 0.000 0.546 64 E N -0.379 119.820 120.200 -0.001 0.000 2.340 64 E HA 0.574 4.924 4.350 0.000 0.000 0.273 64 E C -1.520 175.087 176.600 0.012 0.000 0.891 64 E CA -1.042 55.361 56.400 0.006 0.000 0.757 64 E CB 1.994 31.698 29.700 0.006 0.000 1.231 64 E HN 0.493 nan 8.360 nan 0.000 0.439 65 T N 3.066 117.630 114.554 0.018 0.000 2.779 65 T HA 0.561 4.911 4.350 0.000 0.000 0.280 65 T C -0.107 174.605 174.700 0.021 0.000 0.987 65 T CA -0.591 61.524 62.100 0.025 0.000 0.966 65 T CB 0.306 69.196 68.868 0.037 0.000 0.933 65 T HN 0.509 nan 8.240 nan 0.000 0.442 66 I N -0.247 120.334 120.570 0.019 0.000 2.934 66 I HA 0.963 5.133 4.170 0.000 0.000 0.306 66 I C -0.625 175.485 176.117 -0.011 0.000 1.110 66 I CA -1.727 59.578 61.300 0.009 0.000 1.019 66 I CB 2.052 40.062 38.000 0.017 0.000 1.227 66 I HN 0.589 nan 8.210 nan 0.000 0.434 67 A N 3.890 126.694 122.820 -0.026 0.000 2.276 67 A HA 0.799 5.119 4.320 0.000 0.000 0.316 67 A C -0.268 177.275 177.584 -0.068 0.000 1.229 67 A CA -0.440 51.565 52.037 -0.054 0.000 0.851 67 A CB 0.894 19.866 19.000 -0.046 0.000 1.165 67 A HN 1.147 nan 8.150 nan 0.000 0.513 68 V N 0.356 120.212 119.914 -0.097 0.000 3.141 68 V HA 0.879 4.999 4.120 0.000 0.000 0.312 68 V C -0.477 175.570 176.094 -0.078 0.000 1.157 68 V CA -1.172 61.056 62.300 -0.119 0.000 1.041 68 V CB 1.846 33.541 31.823 -0.212 0.000 1.071 68 V HN 1.020 nan 8.190 nan 0.000 0.441 69 R N 0.645 121.101 120.500 -0.074 0.000 2.513 69 R HA 0.706 5.046 4.340 0.000 0.000 0.301 69 R C -1.040 175.247 176.300 -0.023 0.000 0.968 69 R CA -0.113 55.979 56.100 -0.013 0.000 0.872 69 R CB 2.017 32.299 30.300 -0.031 0.000 1.177 69 R HN 0.983 nan 8.270 nan 0.000 0.444 70 T N 3.661 118.254 114.554 0.066 0.000 2.797 70 T HA 0.423 4.773 4.350 0.000 0.000 0.279 70 T C -0.901 173.772 174.700 -0.046 0.000 0.991 70 T CA -0.474 61.639 62.100 0.021 0.000 0.979 70 T CB 1.534 70.495 68.868 0.155 0.000 0.943 70 T HN 0.268 nan 8.240 nan 0.000 0.444 71 V N 4.648 124.535 119.914 -0.045 0.000 2.540 71 V HA 0.527 4.647 4.120 0.000 0.000 0.302 71 V C -0.306 175.765 176.094 -0.038 0.000 1.035 71 V CA -0.861 61.408 62.300 -0.051 0.000 0.873 71 V CB 1.767 33.567 31.823 -0.038 0.000 0.992 71 V HN 0.798 nan 8.190 nan 0.000 0.428 72 I N 3.182 123.724 120.570 -0.046 0.000 2.339 72 I HA 0.385 4.555 4.170 0.000 0.000 0.290 72 I C 1.498 177.603 176.117 -0.021 0.000 0.994 72 I CA -0.086 61.199 61.300 -0.026 0.000 1.191 72 I CB 1.838 39.818 38.000 -0.032 0.000 1.343 72 I HN 0.765 nan 8.210 nan 0.000 0.458 73 G N 3.571 112.365 108.800 -0.010 0.000 2.422 73 G HA2 -0.105 3.855 3.960 0.000 0.000 0.218 73 G HA3 -0.105 3.855 3.960 0.000 0.000 0.218 73 G C 0.603 175.499 174.900 -0.006 0.000 1.140 73 G CA 0.475 45.571 45.100 -0.008 0.000 0.775 73 G HN 0.502 nan 8.290 nan 0.000 0.545 74 S N -1.252 114.447 115.700 -0.001 0.000 2.649 74 S HA 0.380 4.850 4.470 0.000 0.000 0.274 74 S C 0.640 175.243 174.600 0.006 0.000 1.176 74 S CA -0.735 57.467 58.200 0.002 0.000 0.988 74 S CB 0.991 64.195 63.200 0.006 0.000 1.071 74 S HN 0.061 nan 8.310 nan 0.000 0.478 75 L N 2.985 124.211 121.223 0.005 0.000 2.456 75 L HA 0.020 4.360 4.340 0.000 0.000 0.224 75 L C 1.169 178.052 176.870 0.021 0.000 1.148 75 L CA 0.728 55.575 54.840 0.010 0.000 0.825 75 L CB -0.135 41.929 42.059 0.008 0.000 0.937 75 L HN 0.631 nan 8.230 nan 0.000 0.450 76 D N -0.738 119.675 120.400 0.020 0.000 2.323 76 D HA -0.022 4.618 4.640 0.000 0.000 0.209 76 D C 0.480 176.797 176.300 0.028 0.000 0.973 76 D CA 0.493 54.509 54.000 0.026 0.000 0.874 76 D CB 0.043 40.856 40.800 0.021 0.000 0.930 76 D HN 0.239 nan 8.370 nan 0.000 0.521 77 D N 0.258 120.673 120.400 0.025 0.000 2.357 77 D HA 0.033 4.673 4.640 0.000 0.000 0.242 77 D C 0.197 176.518 176.300 0.035 0.000 1.153 77 D CA -0.264 53.753 54.000 0.028 0.000 0.918 77 D CB 1.526 42.340 40.800 0.024 0.000 1.181 77 D HN -0.217 nan 8.370 nan 0.000 0.435 78 V N 0.928 120.866 119.914 0.039 0.000 2.881 78 V HA 0.378 4.498 4.120 0.000 0.000 0.303 78 V C 0.082 176.202 176.094 0.044 0.000 1.070 78 V CA -0.548 61.779 62.300 0.047 0.000 1.074 78 V CB 1.162 33.015 31.823 0.050 0.000 1.012 78 V HN 0.676 nan 8.190 nan 0.000 0.482 79 A N 4.837 127.685 122.820 0.046 0.000 2.511 79 A HA 0.557 4.877 4.320 0.000 0.000 0.242 79 A C 0.864 178.476 177.584 0.046 0.000 1.069 79 A CA 0.434 52.498 52.037 0.045 0.000 0.763 79 A CB 0.516 19.538 19.000 0.037 0.000 1.001 79 A HN 1.742 nan 8.150 nan 0.000 0.498 80 A N 1.850 124.703 122.820 0.054 0.000 2.470 80 A HA 0.520 4.841 4.320 0.000 0.000 0.251 80 A C 0.045 177.666 177.584 0.061 0.000 1.245 80 A CA 0.680 52.748 52.037 0.052 0.000 0.932 80 A CB -0.153 18.877 19.000 0.051 0.000 1.037 80 A HN 1.064 nan 8.150 nan 0.000 0.522 81 D N -4.314 116.129 120.400 0.072 0.000 2.755 81 D HA 0.258 4.898 4.640 0.000 0.000 0.277 81 D C -2.911 173.428 176.300 0.066 0.000 1.261 81 D CA -0.910 53.133 54.000 0.071 0.000 0.759 81 D CB 0.218 41.098 40.800 0.134 0.000 1.279 81 D HN -0.212 nan 8.370 nan 0.000 0.420 82 P HA -0.074 nan 4.420 nan 0.000 0.218 82 P C 0.870 178.280 177.300 0.184 0.000 1.149 82 P CA 1.174 64.288 63.100 0.024 0.000 0.817 82 P CB -0.101 31.546 31.700 -0.088 0.000 0.785 83 Y N 0.088 120.510 120.300 0.204 0.000 2.145 83 Y HA -0.192 4.358 4.550 0.000 0.000 0.286 83 Y C 2.443 178.523 175.900 0.299 0.000 1.145 83 Y CA 1.631 59.893 58.100 0.270 0.000 1.148 83 Y CB -1.279 37.296 38.460 0.192 0.000 0.981 83 Y HN 0.025 nan 8.280 nan 0.000 0.507 84 D N 0.108 120.709 120.400 0.335 0.000 2.117 84 D HA -0.159 4.481 4.640 0.000 0.000 0.198 84 D C 2.235 178.610 176.300 0.124 0.000 0.982 84 D CA 1.382 55.484 54.000 0.170 0.000 0.828 84 D CB -0.302 40.575 40.800 0.127 0.000 0.967 84 D HN 0.242 nan 8.370 nan 0.000 0.464 85 A N -0.319 122.567 122.820 0.111 0.000 1.865 85 A HA -0.219 4.101 4.320 0.000 0.000 0.217 85 A C 2.358 179.955 177.584 0.021 0.000 1.191 85 A CA 1.579 53.624 52.037 0.015 0.000 0.623 85 A CB -1.429 17.519 19.000 -0.086 0.000 0.826 85 A HN 0.401 nan 8.150 nan 0.000 0.444 86 Y N -1.032 119.352 120.300 0.139 0.000 2.165 86 Y HA -0.187 4.363 4.550 0.000 0.000 0.286 86 Y C 2.295 178.404 175.900 0.348 0.000 1.155 86 Y CA 1.566 59.833 58.100 0.277 0.000 1.164 86 Y CB -0.308 38.370 38.460 0.364 0.000 0.978 86 Y HN 0.350 nan 8.280 nan 0.000 0.513 87 L N 0.523 121.906 121.223 0.266 0.000 2.017 87 L HA -0.210 4.130 4.340 0.000 0.000 0.208 87 L C 2.241 179.084 176.870 -0.045 0.000 1.073 87 L CA 1.699 56.385 54.840 -0.256 0.000 0.745 87 L CB -0.664 41.053 42.059 -0.571 0.000 0.894 87 L HN 0.067 nan 8.230 nan 0.000 0.432 88 R N -0.725 119.782 120.500 0.011 0.000 2.096 88 R HA -0.196 4.144 4.340 0.000 0.000 0.240 88 R C 2.255 178.603 176.300 0.080 0.000 1.139 88 R CA 1.977 58.097 56.100 0.033 0.000 0.952 88 R CB -0.727 29.594 30.300 0.034 0.000 0.854 88 R HN 0.397 nan 8.270 nan 0.000 0.436 89 L N -0.843 120.439 121.223 0.098 0.000 2.141 89 L HA -0.161 4.180 4.340 0.000 0.000 0.209 89 L C 2.198 179.146 176.870 0.130 0.000 1.094 89 L CA 1.300 56.192 54.840 0.086 0.000 0.763 89 L CB -0.502 41.545 42.059 -0.019 0.000 0.908 89 L HN 0.237 nan 8.230 nan 0.000 0.437 90 H N -0.237 118.905 119.070 0.120 0.000 2.357 90 H HA -0.090 4.466 4.556 0.000 0.000 0.301 90 H C 2.272 177.703 175.328 0.171 0.000 1.082 90 H CA 1.293 57.471 56.048 0.216 0.000 1.342 90 H CB -0.113 29.779 29.762 0.216 0.000 1.389 90 H HN 0.143 nan 8.280 nan 0.000 0.511 91 L N -0.327 120.997 121.223 0.169 0.000 2.012 91 L HA -0.206 4.134 4.340 0.000 0.000 0.210 91 L C 2.128 179.088 176.870 0.149 0.000 1.073 91 L CA 1.073 55.974 54.840 0.103 0.000 0.748 91 L CB -0.491 41.591 42.059 0.039 0.000 0.891 91 L HN 0.244 nan 8.230 nan 0.000 0.431 92 L N -1.046 120.262 121.223 0.142 0.000 1.994 92 L HA -0.202 4.138 4.340 0.000 0.000 0.208 92 L C 2.727 179.686 176.870 0.148 0.000 1.071 92 L CA 1.348 56.287 54.840 0.165 0.000 0.745 92 L CB -0.520 41.612 42.059 0.122 0.000 0.892 92 L HN 0.146 nan 8.230 nan 0.000 0.431 93 S N -1.711 114.055 115.700 0.110 0.000 2.382 93 S HA -0.170 4.300 4.470 0.000 0.000 0.228 93 S C 1.728 176.327 174.600 -0.002 0.000 1.027 93 S CA 0.834 59.053 58.200 0.033 0.000 0.991 93 S CB -0.457 62.749 63.200 0.009 0.000 0.823 93 S HN 0.446 nan 8.310 nan 0.000 0.469 94 H N 0.788 119.872 119.070 0.024 0.000 2.563 94 H HA 0.158 4.714 4.556 0.000 0.000 0.272 94 H C 0.444 175.759 175.328 -0.022 0.000 1.005 94 H CA 0.455 56.517 56.048 0.023 0.000 1.171 94 H CB 0.123 29.930 29.762 0.075 0.000 1.351 94 H HN 0.292 nan 8.280 nan 0.000 0.602 95 R N -0.783 119.739 120.500 0.036 0.000 3.953 95 R HA -0.195 4.145 4.340 0.000 0.000 0.340 95 R C 1.093 177.468 176.300 0.126 0.000 1.195 95 R CA 0.368 56.460 56.100 -0.014 0.000 0.929 95 R CB -1.997 28.184 30.300 -0.198 0.000 1.402 95 R HN 0.311 nan 8.270 nan 0.000 0.540 96 L N -0.130 121.177 121.223 0.140 0.000 2.217 96 L HA 0.008 4.348 4.340 0.000 0.000 0.211 96 L C 0.798 177.725 176.870 0.096 0.000 1.107 96 L CA 0.929 55.831 54.840 0.103 0.000 0.783 96 L CB 0.212 42.315 42.059 0.072 0.000 0.919 96 L HN -0.023 nan 8.230 nan 0.000 0.442 97 V N -0.883 119.105 119.914 0.123 0.000 2.841 97 V HA 0.614 4.734 4.120 0.000 0.000 0.310 97 V C -0.067 176.099 176.094 0.120 0.000 1.090 97 V CA -0.960 61.395 62.300 0.092 0.000 0.930 97 V CB 1.827 33.686 31.823 0.060 0.000 1.014 97 V HN 0.065 nan 8.190 nan 0.000 0.425 98 A N 5.117 127.938 122.820 0.002 0.000 2.271 98 A HA 0.847 5.167 4.320 0.000 0.000 0.288 98 A C -2.637 174.828 177.584 -0.198 0.000 1.094 98 A CA -1.735 50.158 52.037 -0.240 0.000 0.828 98 A CB 0.238 19.112 19.000 -0.210 0.000 1.091 98 A HN 0.654 nan 8.150 nan 0.000 0.493 99 P HA 0.079 nan 4.420 nan 0.000 0.264 99 P C -0.219 176.969 177.300 -0.186 0.000 1.183 99 P CA 1.015 63.945 63.100 -0.284 0.000 0.763 99 P CB 0.055 31.566 31.700 -0.314 0.000 0.807 100 H N 0.528 119.570 119.070 -0.046 0.000 3.642 100 H HA -0.141 4.415 4.556 0.000 0.000 0.185 100 H C 1.414 176.730 175.328 -0.020 0.000 0.992 100 H CA 1.334 57.364 56.048 -0.030 0.000 1.216 100 H CB -2.048 27.689 29.762 -0.042 0.000 1.055 100 H HN 0.662 nan 8.280 nan 0.000 0.351 101 G N 0.380 109.203 108.800 0.039 0.000 2.880 101 G HA2 0.348 4.308 3.960 0.000 0.000 0.209 101 G HA3 0.348 4.308 3.960 0.000 0.000 0.209 101 G C 0.687 175.606 174.900 0.032 0.000 1.157 101 G CA 0.795 45.914 45.100 0.033 0.000 0.779 101 G HN 0.286 nan 8.290 nan 0.000 0.539 102 L N -3.619 117.623 121.223 0.033 0.000 2.359 102 L HA 0.597 4.937 4.340 0.000 0.000 0.256 102 L C -0.795 176.105 176.870 0.050 0.000 1.026 102 L CA -1.882 52.980 54.840 0.036 0.000 0.828 102 L CB 0.940 43.017 42.059 0.030 0.000 1.406 102 L HN -0.214 nan 8.230 nan 0.000 0.413 103 N N 0.985 119.716 118.700 0.052 0.000 2.406 103 N HA 0.329 5.069 4.740 0.000 0.000 0.265 103 N C 0.208 175.765 175.510 0.079 0.000 1.203 103 N CA 0.538 53.628 53.050 0.066 0.000 0.945 103 N CB 1.319 39.840 38.487 0.056 0.000 1.165 103 N HN 0.916 nan 8.380 nan 0.000 0.485 104 A N 2.667 125.547 122.820 0.100 0.000 2.415 104 A HA 0.356 4.676 4.320 0.000 0.000 0.248 104 A C 1.021 178.717 177.584 0.186 0.000 1.299 104 A CA -0.216 51.910 52.037 0.149 0.000 0.899 104 A CB -0.456 18.657 19.000 0.189 0.000 0.997 104 A HN 0.596 nan 8.150 nan 0.000 0.506 105 G N -2.315 106.568 108.800 0.138 0.000 2.539 105 G HA2 0.457 4.417 3.960 0.000 0.000 0.258 105 G HA3 0.457 4.417 3.960 0.000 0.000 0.258 105 G C 1.131 176.113 174.900 0.135 0.000 1.202 105 G CA 0.123 45.307 45.100 0.140 0.000 0.851 105 G HN 1.386 nan 8.290 nan 0.000 0.556 106 G N -0.440 108.450 108.800 0.150 0.000 2.180 106 G HA2 -0.294 3.666 3.960 0.000 0.000 0.263 106 G HA3 -0.294 3.666 3.960 0.000 0.000 0.263 106 G C 1.195 176.183 174.900 0.146 0.000 0.989 106 G CA 0.741 45.929 45.100 0.147 0.000 0.692 106 G HN 0.591 nan 8.290 nan 0.000 0.526 107 L N -1.406 119.914 121.223 0.160 0.000 2.156 107 L HA 0.102 4.442 4.340 0.000 0.000 0.208 107 L C 2.463 179.356 176.870 0.039 0.000 1.095 107 L CA 1.404 56.276 54.840 0.052 0.000 0.770 107 L CB -0.423 41.632 42.059 -0.007 0.000 0.914 107 L HN 0.360 nan 8.230 nan 0.000 0.439 108 F N 1.073 121.063 119.950 0.065 0.000 2.171 108 F HA -0.116 4.411 4.527 0.000 0.000 0.300 108 F C 2.164 177.973 175.800 0.015 0.000 1.090 108 F CA 1.543 59.587 58.000 0.074 0.000 1.293 108 F CB -0.285 38.817 39.000 0.169 0.000 1.013 108 F HN -0.032 nan 8.300 nan 0.000 0.486 109 G N -0.570 108.355 108.800 0.209 0.000 2.421 109 G HA2 -0.141 3.819 3.960 0.000 0.000 0.217 109 G HA3 -0.141 3.819 3.960 0.000 0.000 0.217 109 G C 1.558 176.427 174.900 -0.052 0.000 1.143 109 G CA 0.950 46.106 45.100 0.093 0.000 0.784 109 G HN 0.341 nan 8.290 nan 0.000 0.541 110 V N 0.361 120.240 119.914 -0.057 0.000 3.052 110 V HA 0.289 4.409 4.120 0.000 0.000 0.254 110 V C 1.174 177.185 176.094 -0.139 0.000 1.100 110 V CA 0.258 62.513 62.300 -0.076 0.000 1.112 110 V CB -0.071 31.730 31.823 -0.036 0.000 0.738 110 V HN 0.149 nan 8.190 nan 0.000 0.469 111 L N 0.197 121.280 121.223 -0.232 0.000 2.357 111 L HA 0.324 4.665 4.340 0.000 0.000 0.273 111 L C 0.483 177.209 176.870 -0.240 0.000 1.080 111 L CA -0.071 54.611 54.840 -0.263 0.000 0.803 111 L CB 1.421 43.196 42.059 -0.473 0.000 1.174 111 L HN 0.073 nan 8.230 nan 0.000 0.443 112 T N 1.396 115.859 114.554 -0.152 0.000 2.907 112 T HA 0.072 4.422 4.350 0.000 0.000 0.298 112 T C 0.129 174.741 174.700 -0.147 0.000 1.017 112 T CA -0.390 61.622 62.100 -0.146 0.000 1.118 112 T CB 0.531 69.329 68.868 -0.117 0.000 0.948 112 T HN 0.388 nan 8.240 nan 0.000 0.531 113 N N 2.098 120.703 118.700 -0.157 0.000 2.470 113 N HA 0.263 5.003 4.740 0.000 0.000 0.268 113 N C -1.133 174.263 175.510 -0.190 0.000 1.136 113 N CA -0.102 52.872 53.050 -0.126 0.000 0.961 113 N CB 0.412 38.835 38.487 -0.106 0.000 1.067 113 N HN 0.296 nan 8.380 nan 0.000 0.468 114 V N 3.345 123.097 119.914 -0.270 0.000 2.735 114 V HA 0.322 4.442 4.120 0.000 0.000 0.310 114 V C -0.246 175.420 176.094 -0.713 0.000 1.061 114 V CA -1.012 60.917 62.300 -0.618 0.000 0.913 114 V CB 2.037 33.146 31.823 -1.190 0.000 1.005 114 V HN 0.365 nan 8.190 nan 0.000 0.428 115 V N 3.320 122.860 119.914 -0.623 0.000 2.387 115 V HA 0.169 4.289 4.120 0.000 0.000 0.260 115 V C -0.582 175.209 176.094 -0.505 0.000 1.054 115 V CA -0.296 61.656 62.300 -0.579 0.000 0.967 115 V CB -0.267 31.053 31.823 -0.839 0.000 1.036 115 V HN 0.849 nan 8.190 nan 0.000 0.481 116 W N 4.121 125.385 121.300 -0.060 0.000 2.358 116 W HA 0.545 5.205 4.660 0.000 0.000 0.307 116 W C 0.855 177.370 176.519 -0.008 0.000 1.203 116 W CA -0.362 57.016 57.345 0.053 0.000 1.279 116 W CB 1.054 30.613 29.460 0.165 0.000 1.264 116 W HN 0.645 nan 8.180 nan 0.000 0.474 117 T N -1.065 113.572 114.554 0.138 0.000 2.858 117 T HA 0.226 4.576 4.350 0.000 0.000 0.285 117 T C 0.901 175.526 174.700 -0.124 0.000 1.052 117 T CA -0.935 61.107 62.100 -0.098 0.000 1.009 117 T CB 1.315 70.226 68.868 0.072 0.000 1.241 117 T HN 0.428 nan 8.240 nan 0.000 0.542 118 N N -0.211 118.302 118.700 -0.311 0.000 2.521 118 N HA -0.083 4.657 4.740 0.000 0.000 0.188 118 N C 0.699 176.039 175.510 -0.283 0.000 1.146 118 N CA 0.509 53.445 53.050 -0.190 0.000 0.893 118 N CB -0.571 37.770 38.487 -0.243 0.000 0.975 118 N HN 0.699 nan 8.380 nan 0.000 0.451 119 H N -0.600 118.492 119.070 0.037 0.000 2.594 119 H HA 0.350 4.906 4.556 0.000 0.000 0.279 119 H C 1.066 176.429 175.328 0.057 0.000 1.042 119 H CA 0.579 56.654 56.048 0.044 0.000 1.177 119 H CB 0.714 30.494 29.762 0.031 0.000 1.524 119 H HN 0.425 nan 8.280 nan 0.000 0.537 120 G N 1.754 110.646 108.800 0.153 0.000 2.498 120 G HA2 -0.170 3.791 3.960 0.000 0.000 0.651 120 G HA3 -0.170 3.791 3.960 0.000 0.000 0.651 120 G C -2.949 172.035 174.900 0.140 0.000 1.284 120 G CA -1.184 44.005 45.100 0.147 0.000 0.950 120 G HN -0.055 nan 8.290 nan 0.000 0.511 121 P HA 0.496 nan 4.420 nan 0.000 0.271 121 P C -0.104 177.132 177.300 -0.106 0.000 1.216 121 P CA -0.119 62.923 63.100 -0.097 0.000 0.771 121 P CB 0.860 32.465 31.700 -0.158 0.000 0.864 122 C N 1.957 121.146 119.300 -0.185 0.000 2.889 122 C HA 0.764 5.224 4.460 0.000 0.000 0.307 122 C C 0.680 175.577 174.990 -0.154 0.000 1.251 122 C CA -0.501 58.477 59.018 -0.068 0.000 1.593 122 C CB 1.735 29.565 27.740 0.149 0.000 2.104 122 C HN 0.664 nan 8.230 nan 0.000 0.476 123 A N 1.576 124.359 122.820 -0.062 0.000 2.332 123 A HA 0.484 4.805 4.320 0.000 0.000 0.258 123 A C 1.208 178.765 177.584 -0.045 0.000 1.087 123 A CA -0.192 51.796 52.037 -0.081 0.000 0.802 123 A CB 0.126 19.101 19.000 -0.041 0.000 1.042 123 A HN 0.811 nan 8.150 nan 0.000 0.489 124 I N 0.217 120.737 120.570 -0.083 0.000 2.286 124 I HA -0.146 4.024 4.170 0.000 0.000 0.248 124 I C 0.096 176.237 176.117 0.041 0.000 1.115 124 I CA 1.114 62.388 61.300 -0.042 0.000 1.392 124 I CB -1.268 36.696 38.000 -0.061 0.000 1.065 124 I HN 0.598 nan 8.210 nan 0.000 0.418 125 D N 1.358 121.767 120.400 0.015 0.000 2.401 125 D HA 0.333 4.973 4.640 0.000 0.000 0.254 125 D C 1.235 177.560 176.300 0.041 0.000 1.192 125 D CA 0.872 54.885 54.000 0.021 0.000 0.885 125 D CB 0.312 41.110 40.800 -0.003 0.000 1.147 125 D HN 0.405 nan 8.370 nan 0.000 0.478 126 G N 1.799 110.622 108.800 0.038 0.000 2.160 126 G HA2 -0.396 3.564 3.960 0.000 0.000 0.251 126 G HA3 -0.396 3.564 3.960 0.000 0.000 0.251 126 G C 0.670 175.580 174.900 0.015 0.000 1.008 126 G CA 0.277 45.385 45.100 0.013 0.000 0.724 126 G HN 0.530 nan 8.290 nan 0.000 0.514 127 F N 0.865 120.788 119.950 -0.045 0.000 2.171 127 F HA -0.015 4.512 4.527 0.000 0.000 0.300 127 F C 2.355 178.131 175.800 -0.041 0.000 1.090 127 F CA 2.081 60.051 58.000 -0.049 0.000 1.293 127 F CB 0.206 39.174 39.000 -0.052 0.000 1.013 127 F HN 0.223 nan 8.300 nan 0.000 0.486 128 E N 0.527 120.661 120.200 -0.110 0.000 2.150 128 E HA -0.156 4.194 4.350 0.000 0.000 0.193 128 E C 2.362 178.811 176.600 -0.252 0.000 0.985 128 E CA 1.066 57.356 56.400 -0.183 0.000 0.814 128 E CB -0.772 28.907 29.700 -0.035 0.000 0.752 128 E HN 0.507 nan 8.360 nan 0.000 0.466 129 A N 0.795 123.500 122.820 -0.192 0.000 1.929 129 A HA -0.093 4.227 4.320 0.000 0.000 0.216 129 A C 2.586 180.029 177.584 -0.235 0.000 1.176 129 A CA 1.108 53.043 52.037 -0.170 0.000 0.628 129 A CB -0.542 18.394 19.000 -0.107 0.000 0.816 129 A HN 0.132 nan 8.150 nan 0.000 0.444 130 V N 0.363 120.089 119.914 -0.313 0.000 2.343 130 V HA -0.271 3.849 4.120 0.000 0.000 0.247 130 V C 2.662 178.476 176.094 -0.467 0.000 1.051 130 V CA 2.274 64.364 62.300 -0.350 0.000 1.036 130 V CB -0.816 30.817 31.823 -0.317 0.000 0.654 130 V HN 0.674 nan 8.190 nan 0.000 0.451 131 R N 0.316 120.367 120.500 -0.748 0.000 2.083 131 R HA -0.208 4.132 4.340 0.000 0.000 0.237 131 R C 2.288 178.409 176.300 -0.298 0.000 1.137 131 R CA 1.925 57.677 56.100 -0.581 0.000 0.951 131 R CB -0.465 29.461 30.300 -0.624 0.000 0.851 131 R HN 0.482 nan 8.270 nan 0.000 0.434 132 A N 1.198 123.871 122.820 -0.245 0.000 1.902 132 A HA -0.149 4.171 4.320 0.000 0.000 0.217 132 A C 2.230 179.726 177.584 -0.146 0.000 1.181 132 A CA 1.323 53.266 52.037 -0.158 0.000 0.623 132 A CB -0.451 18.475 19.000 -0.123 0.000 0.818 132 A HN 0.369 nan 8.150 nan 0.000 0.443 133 R N -0.596 119.805 120.500 -0.164 0.000 2.080 133 R HA -0.080 4.260 4.340 0.000 0.000 0.236 133 R C 2.070 178.267 176.300 -0.172 0.000 1.137 133 R CA 1.603 57.616 56.100 -0.146 0.000 0.943 133 R CB -0.622 29.593 30.300 -0.141 0.000 0.846 133 R HN 0.506 nan 8.270 nan 0.000 0.431 134 L N 0.339 121.420 121.223 -0.237 0.000 2.191 134 L HA -0.143 4.197 4.340 0.000 0.000 0.212 134 L C 2.652 179.361 176.870 -0.268 0.000 1.103 134 L CA 0.908 55.540 54.840 -0.347 0.000 0.769 134 L CB -0.377 41.403 42.059 -0.465 0.000 0.908 134 L HN 0.168 nan 8.230 nan 0.000 0.438 135 R N 0.438 120.842 120.500 -0.161 0.000 2.200 135 R HA -0.145 4.195 4.340 0.000 0.000 0.234 135 R C 2.246 178.511 176.300 -0.058 0.000 1.127 135 R CA 1.051 57.103 56.100 -0.079 0.000 0.989 135 R CB -0.218 30.043 30.300 -0.064 0.000 0.869 135 R HN 0.407 nan 8.270 nan 0.000 0.459 136 R N -0.251 120.203 120.500 -0.076 0.000 2.159 136 R HA -0.098 4.242 4.340 0.000 0.000 0.237 136 R C 2.083 178.364 176.300 -0.032 0.000 1.131 136 R CA 1.237 57.307 56.100 -0.051 0.000 0.982 136 R CB -0.107 30.158 30.300 -0.059 0.000 0.868 136 R HN 0.172 nan 8.270 nan 0.000 0.453 137 R N -0.350 120.125 120.500 -0.043 0.000 2.240 137 R HA 0.128 4.468 4.340 0.000 0.000 0.203 137 R C 0.721 177.065 176.300 0.074 0.000 1.011 137 R CA 0.567 56.674 56.100 0.013 0.000 1.007 137 R CB 0.642 30.947 30.300 0.008 0.000 0.911 137 R HN 0.301 nan 8.270 nan 0.000 0.468 138 G N 0.396 109.235 108.800 0.065 0.000 2.325 138 G HA2 -0.084 3.876 3.960 0.000 0.000 0.285 138 G HA3 -0.084 3.876 3.960 0.000 0.000 0.285 138 G C -2.999 171.968 174.900 0.111 0.000 1.303 138 G CA -1.296 43.855 45.100 0.085 0.000 0.970 138 G HN -0.188 nan 8.290 nan 0.000 0.490 139 P HA 0.441 nan 4.420 nan 0.000 0.268 139 P C -0.286 177.095 177.300 0.135 0.000 1.205 139 P CA -0.240 62.908 63.100 0.081 0.000 0.771 139 P CB 1.248 32.978 31.700 0.049 0.000 0.858 140 V N 3.808 123.784 119.914 0.103 0.000 2.357 140 V HA 0.298 4.418 4.120 0.000 0.000 0.284 140 V C 0.112 176.246 176.094 0.065 0.000 1.018 140 V CA -0.106 62.278 62.300 0.140 0.000 0.841 140 V CB 1.330 33.219 31.823 0.110 0.000 0.991 140 V HN 0.489 nan 8.190 nan 0.000 0.437 141 T N 4.629 119.169 114.554 -0.024 0.000 2.770 141 T HA 0.496 4.846 4.350 0.000 0.000 0.283 141 T C -0.261 174.262 174.700 -0.295 0.000 0.988 141 T CA -0.367 61.650 62.100 -0.139 0.000 0.957 141 T CB 1.633 70.391 68.868 -0.184 0.000 0.930 141 T HN 0.293 nan 8.240 nan 0.000 0.443 142 V N 4.808 124.625 119.914 -0.162 0.000 2.350 142 V HA 0.223 4.343 4.120 0.000 0.000 0.276 142 V C 0.129 176.175 176.094 -0.079 0.000 1.028 142 V CA -0.388 61.816 62.300 -0.159 0.000 0.860 142 V CB 0.574 32.345 31.823 -0.086 0.000 0.990 142 V HN 0.973 nan 8.190 nan 0.000 0.453 143 Y N 3.378 123.747 120.300 0.115 0.000 2.420 143 Y HA 0.397 4.947 4.550 0.000 0.000 0.292 143 Y C 1.479 177.452 175.900 0.121 0.000 1.119 143 Y CA 0.479 58.644 58.100 0.108 0.000 1.229 143 Y CB 0.637 39.167 38.460 0.117 0.000 1.026 143 Y HN 0.732 nan 8.280 nan 0.000 0.554 144 G N -0.854 108.133 108.800 0.311 0.000 2.368 144 G HA2 0.433 4.393 3.960 0.000 0.000 0.293 144 G HA3 0.433 4.393 3.960 0.000 0.000 0.293 144 G C -2.239 172.837 174.900 0.294 0.000 1.467 144 G CA -0.723 44.543 45.100 0.277 0.000 0.804 144 G HN -0.267 nan 8.290 nan 0.000 0.535 145 V N 1.494 121.539 119.914 0.219 0.000 2.419 145 V HA 0.718 4.838 4.120 0.000 0.000 0.287 145 V C -0.938 175.272 176.094 0.192 0.000 1.017 145 V CA -0.397 61.971 62.300 0.113 0.000 0.844 145 V CB 1.236 33.050 31.823 -0.014 0.000 1.011 145 V HN 0.939 nan 8.190 nan 0.000 0.429 146 D N 2.411 122.992 120.400 0.301 0.000 2.764 146 D HA 0.311 4.951 4.640 0.000 0.000 0.293 146 D C 0.375 176.913 176.300 0.397 0.000 1.287 146 D CA -0.628 53.573 54.000 0.337 0.000 0.768 146 D CB 1.987 43.017 40.800 0.382 0.000 1.288 146 D HN 0.242 nan 8.370 nan 0.000 0.426 147 K N -0.152 120.394 120.400 0.242 0.000 2.305 147 K HA 0.187 4.507 4.320 0.000 0.000 0.199 147 K C 0.034 176.537 176.600 -0.162 0.000 1.047 147 K CA 0.717 56.994 56.287 -0.015 0.000 0.976 147 K CB 0.249 32.571 32.500 -0.297 0.000 0.765 147 K HN 0.146 nan 8.250 nan 0.000 0.474 148 F N 1.708 121.744 119.950 0.143 0.000 2.477 148 F HA 0.303 4.830 4.527 0.000 0.000 0.335 148 F C -2.081 173.620 175.800 -0.164 0.000 1.130 148 F CA -2.760 55.216 58.000 -0.040 0.000 0.948 148 F CB 1.462 40.436 39.000 -0.043 0.000 1.154 148 F HN -0.136 nan 8.300 nan 0.000 0.439 149 P HA 0.373 nan 4.420 nan 0.000 0.306 149 P C -0.990 176.141 177.300 -0.281 0.000 1.309 149 P CA -0.801 61.841 63.100 -0.763 0.000 0.759 149 P CB 0.989 32.020 31.700 -1.116 0.000 1.314 150 R N 0.077 120.446 120.500 -0.218 0.000 2.265 150 R HA 0.296 4.636 4.340 0.000 0.000 0.314 150 R C 1.621 177.932 176.300 0.018 0.000 1.053 150 R CA -0.318 55.728 56.100 -0.090 0.000 0.931 150 R CB 0.339 30.564 30.300 -0.125 0.000 1.024 150 R HN 0.502 nan 8.270 nan 0.000 0.457 151 M N 3.493 123.089 119.600 -0.008 0.000 2.089 151 M HA -0.219 4.261 4.480 0.000 0.000 0.257 151 M C 1.605 177.947 176.300 0.070 0.000 1.071 151 M CA 2.194 57.504 55.300 0.017 0.000 1.096 151 M CB 0.028 32.604 32.600 -0.039 0.000 1.330 151 M HN 0.582 nan 8.290 nan 0.000 0.403 152 V N -2.475 117.433 119.914 -0.010 0.000 3.078 152 V HA -0.155 3.965 4.120 0.000 0.000 0.265 152 V C 0.877 176.922 176.094 -0.083 0.000 1.122 152 V CA 1.761 64.033 62.300 -0.047 0.000 1.141 152 V CB -1.207 30.565 31.823 -0.084 0.000 0.735 152 V HN 0.377 nan 8.190 nan 0.000 0.498 153 D N -1.076 119.273 120.400 -0.085 0.000 2.340 153 D HA 0.096 4.736 4.640 0.000 0.000 0.220 153 D C 1.236 177.123 176.300 -0.690 0.000 1.039 153 D CA 0.855 54.655 54.000 -0.332 0.000 0.866 153 D CB 0.201 40.806 40.800 -0.324 0.000 0.913 153 D HN 0.690 nan 8.370 nan 0.000 0.523 154 Y N -1.091 119.140 120.300 -0.115 0.000 2.652 154 Y HA 0.249 4.799 4.550 0.000 0.000 0.274 154 Y C 0.458 176.479 175.900 0.203 0.000 1.148 154 Y CA -0.250 57.879 58.100 0.049 0.000 1.219 154 Y CB 1.495 39.995 38.460 0.066 0.000 1.337 154 Y HN -0.241 nan 8.280 nan 0.000 0.490 155 V N 0.812 120.838 119.914 0.186 0.000 2.852 155 V HA 0.489 4.609 4.120 0.000 0.000 0.300 155 V C -1.703 174.369 176.094 -0.037 0.000 1.205 155 V CA -0.910 61.429 62.300 0.065 0.000 0.940 155 V CB 1.984 33.722 31.823 -0.141 0.000 1.047 155 V HN -0.211 nan 8.190 nan 0.000 0.429 156 V N 9.104 128.988 119.914 -0.050 0.000 2.334 156 V HA 0.445 4.566 4.120 0.000 0.000 0.267 156 V C -1.882 174.154 176.094 -0.097 0.000 1.040 156 V CA -1.213 61.044 62.300 -0.071 0.000 0.866 156 V CB 1.151 32.941 31.823 -0.055 0.000 1.019 156 V HN 0.890 nan 8.190 nan 0.000 0.468 157 P HA 0.283 nan 4.420 nan 0.000 0.275 157 P C 0.119 177.366 177.300 -0.087 0.000 1.228 157 P CA -0.161 62.862 63.100 -0.127 0.000 0.786 157 P CB 0.423 32.033 31.700 -0.149 0.000 0.927 158 T N -2.710 111.802 114.554 -0.071 0.000 2.849 158 T HA 0.447 4.797 4.350 0.000 0.000 0.284 158 T C 1.087 175.757 174.700 -0.049 0.000 1.004 158 T CA 0.087 62.158 62.100 -0.049 0.000 1.021 158 T CB 0.281 69.129 68.868 -0.033 0.000 1.013 158 T HN 0.839 nan 8.240 nan 0.000 0.527 159 G N -0.189 108.588 108.800 -0.038 0.000 2.179 159 G HA2 -0.136 3.824 3.960 0.000 0.000 0.257 159 G HA3 -0.136 3.824 3.960 0.000 0.000 0.257 159 G C -0.082 174.795 174.900 -0.040 0.000 1.010 159 G CA 0.093 45.173 45.100 -0.033 0.000 0.736 159 G HN 1.069 nan 8.290 nan 0.000 0.513 160 V N 0.014 119.900 119.914 -0.047 0.000 2.789 160 V HA 0.716 4.836 4.120 0.000 0.000 0.311 160 V C 0.287 176.350 176.094 -0.053 0.000 1.073 160 V CA -1.024 61.244 62.300 -0.054 0.000 0.921 160 V CB 1.975 33.756 31.823 -0.070 0.000 1.009 160 V HN 0.381 nan 8.190 nan 0.000 0.426 161 R N 4.046 124.515 120.500 -0.053 0.000 2.637 161 R HA 0.768 5.108 4.340 0.000 0.000 0.291 161 R C -1.372 174.884 176.300 -0.074 0.000 0.963 161 R CA -0.710 55.355 56.100 -0.058 0.000 0.901 161 R CB 2.346 32.617 30.300 -0.048 0.000 1.160 161 R HN 0.578 nan 8.270 nan 0.000 0.457 162 I N 1.942 122.458 120.570 -0.089 0.000 2.540 162 I HA 0.187 4.357 4.170 0.000 0.000 0.280 162 I C 0.727 176.753 176.117 -0.151 0.000 1.083 162 I CA -0.320 60.913 61.300 -0.111 0.000 1.080 162 I CB 1.952 39.892 38.000 -0.099 0.000 1.205 162 I HN 0.786 nan 8.210 nan 0.000 0.459 163 A N 3.670 126.352 122.820 -0.230 0.000 1.930 163 A HA -0.108 4.212 4.320 0.000 0.000 0.217 163 A C 0.856 178.208 177.584 -0.387 0.000 1.175 163 A CA 1.575 53.377 52.037 -0.391 0.000 0.627 163 A CB -0.085 18.442 19.000 -0.789 0.000 0.815 163 A HN 0.691 nan 8.150 nan 0.000 0.443 164 D N -1.642 118.577 120.400 -0.302 0.000 2.421 164 D HA 0.555 5.195 4.640 0.000 0.000 0.254 164 D C 0.294 176.539 176.300 -0.091 0.000 1.238 164 D CA 0.205 54.116 54.000 -0.148 0.000 0.919 164 D CB 1.184 41.939 40.800 -0.076 0.000 1.152 164 D HN 0.068 nan 8.370 nan 0.000 0.552 165 A N 3.261 126.028 122.820 -0.090 0.000 2.235 165 A HA -0.012 4.308 4.320 0.000 0.000 0.208 165 A C 1.367 178.913 177.584 -0.063 0.000 1.172 165 A CA 0.311 52.299 52.037 -0.082 0.000 0.786 165 A CB 0.016 18.957 19.000 -0.098 0.000 0.804 165 A HN 0.451 nan 8.150 nan 0.000 0.479 166 D N 0.280 120.653 120.400 -0.046 0.000 2.263 166 D HA -0.087 4.553 4.640 0.000 0.000 0.208 166 D C 1.462 177.791 176.300 0.048 0.000 0.971 166 D CA 0.727 54.719 54.000 -0.015 0.000 0.867 166 D CB -0.041 40.764 40.800 0.009 0.000 0.929 166 D HN 0.320 nan 8.370 nan 0.000 0.492 167 R N 0.233 120.770 120.500 0.062 0.000 2.388 167 R HA 0.177 4.517 4.340 0.000 0.000 0.247 167 R C -0.230 176.151 176.300 0.135 0.000 0.931 167 R CA -0.009 56.202 56.100 0.185 0.000 1.082 167 R CB 1.046 31.444 30.300 0.164 0.000 1.135 167 R HN -0.007 nan 8.270 nan 0.000 0.525 168 V N 1.971 121.894 119.914 0.016 0.000 2.409 168 V HA 0.320 4.440 4.120 0.000 0.000 0.290 168 V C 0.349 176.408 176.094 -0.058 0.000 1.017 168 V CA -0.863 61.383 62.300 -0.090 0.000 0.841 168 V CB 2.082 33.841 31.823 -0.106 0.000 1.003 168 V HN 0.071 nan 8.190 nan 0.000 0.426 169 R N 2.461 122.918 120.500 -0.072 0.000 2.594 169 R HA 0.364 4.704 4.340 0.000 0.000 0.272 169 R C -0.209 176.074 176.300 -0.029 0.000 1.074 169 R CA -0.697 55.397 56.100 -0.009 0.000 1.105 169 R CB 0.853 31.169 30.300 0.025 0.000 1.008 169 R HN 0.575 nan 8.270 nan 0.000 0.472 170 L N 1.811 123.016 121.223 -0.030 0.000 2.525 170 L HA 0.131 4.471 4.340 0.000 0.000 0.278 170 L C 1.107 177.974 176.870 -0.005 0.000 1.218 170 L CA 1.953 56.743 54.840 -0.082 0.000 0.878 170 L CB 0.683 42.587 42.059 -0.258 0.000 1.127 170 L HN 0.920 nan 8.230 nan 0.000 0.492 171 G N 2.636 111.437 108.800 0.000 0.000 2.195 171 G HA2 -0.137 3.823 3.960 0.000 0.000 0.224 171 G HA3 -0.137 3.823 3.960 0.000 0.000 0.224 171 G C 0.368 175.300 174.900 0.053 0.000 0.990 171 G CA 0.124 45.269 45.100 0.075 0.000 0.639 171 G HN 1.250 nan 8.290 nan 0.000 0.514 172 A N 0.725 123.539 122.820 -0.010 0.000 2.425 172 A HA 0.566 4.886 4.320 0.000 0.000 0.249 172 A C 0.164 177.752 177.584 0.007 0.000 1.084 172 A CA 0.269 52.278 52.037 -0.048 0.000 0.781 172 A CB 0.240 19.165 19.000 -0.126 0.000 1.019 172 A HN 0.893 nan 8.150 nan 0.000 0.490 173 H N 3.267 122.288 119.070 -0.083 0.000 2.685 173 H HA 0.487 5.043 4.556 0.000 0.000 0.307 173 H C -1.706 173.584 175.328 -0.064 0.000 1.017 173 H CA -0.462 55.552 56.048 -0.056 0.000 1.237 173 H CB 0.533 30.265 29.762 -0.050 0.000 1.409 173 H HN 0.536 nan 8.280 nan 0.000 0.488 174 L N 5.188 126.289 121.223 -0.204 0.000 2.318 174 L HA 0.467 4.807 4.340 0.000 0.000 0.277 174 L C 0.595 177.366 176.870 -0.165 0.000 1.008 174 L CA -0.803 53.967 54.840 -0.117 0.000 0.846 174 L CB 1.324 43.320 42.059 -0.105 0.000 1.220 174 L HN 0.566 nan 8.230 nan 0.000 0.423 175 A N 5.354 128.138 122.820 -0.059 0.000 2.366 175 A HA 0.584 4.904 4.320 0.000 0.000 0.249 175 A C -2.320 175.238 177.584 -0.043 0.000 1.084 175 A CA -1.169 50.841 52.037 -0.046 0.000 0.794 175 A CB -0.215 18.828 19.000 0.071 0.000 1.034 175 A HN 0.403 nan 8.150 nan 0.000 0.491 176 P HA 0.244 nan 4.420 nan 0.000 0.266 176 P C 0.930 178.218 177.300 -0.020 0.000 1.195 176 P CA 1.907 64.988 63.100 -0.032 0.000 0.768 176 P CB 0.574 32.261 31.700 -0.022 0.000 0.838 177 G N 1.196 109.983 108.800 -0.022 0.000 2.176 177 G HA2 -0.204 3.756 3.960 0.000 0.000 0.253 177 G HA3 -0.204 3.756 3.960 0.000 0.000 0.253 177 G C 0.244 175.133 174.900 -0.019 0.000 0.979 177 G CA 0.000 45.090 45.100 -0.017 0.000 0.641 177 G HN 0.602 nan 8.290 nan 0.000 0.530 178 T N 1.791 116.329 114.554 -0.026 0.000 2.856 178 T HA 0.567 4.917 4.350 0.000 0.000 0.292 178 T C 0.150 174.829 174.700 -0.036 0.000 0.980 178 T CA 0.715 62.798 62.100 -0.028 0.000 1.091 178 T CB 1.494 70.342 68.868 -0.033 0.000 0.936 178 T HN 0.211 nan 8.240 nan 0.000 0.503 179 T N 2.884 117.418 114.554 -0.032 0.000 2.824 179 T HA 0.491 4.841 4.350 0.000 0.000 0.282 179 T C -0.430 174.245 174.700 -0.041 0.000 0.993 179 T CA -0.555 61.523 62.100 -0.037 0.000 0.967 179 T CB 1.217 70.070 68.868 -0.026 0.000 0.960 179 T HN 0.316 nan 8.240 nan 0.000 0.441 180 V N 5.242 125.121 119.914 -0.057 0.000 2.347 180 V HA 0.430 4.550 4.120 0.000 0.000 0.280 180 V C 0.141 176.193 176.094 -0.071 0.000 1.021 180 V CA -0.816 61.449 62.300 -0.058 0.000 0.847 180 V CB 1.147 32.926 31.823 -0.073 0.000 0.990 180 V HN 0.798 nan 8.190 nan 0.000 0.444 181 M N 2.369 121.949 119.600 -0.034 0.000 2.336 181 M HA 0.390 4.870 4.480 0.000 0.000 0.256 181 M C 1.513 177.797 176.300 -0.026 0.000 1.176 181 M CA -0.298 54.987 55.300 -0.024 0.000 0.948 181 M CB 0.181 32.831 32.600 0.084 0.000 1.393 181 M HN 0.689 nan 8.290 nan 0.000 0.528 182 H N -0.244 118.831 119.070 0.009 0.000 2.422 182 H HA -0.144 4.412 4.556 0.000 0.000 0.298 182 H C 1.406 176.750 175.328 0.027 0.000 1.098 182 H CA 1.738 57.795 56.048 0.015 0.000 1.315 182 H CB -0.066 29.703 29.762 0.011 0.000 1.382 182 H HN 0.532 nan 8.280 nan 0.000 0.523 183 E N 0.814 121.108 120.200 0.156 0.000 2.474 183 E HA 0.113 4.463 4.350 0.000 0.000 0.194 183 E C 0.928 177.585 176.600 0.095 0.000 1.041 183 E CA 0.121 56.584 56.400 0.105 0.000 0.874 183 E CB 0.082 29.829 29.700 0.078 0.000 0.914 183 E HN 0.424 nan 8.360 nan 0.000 0.498 184 G N 0.373 109.221 108.800 0.079 0.000 2.527 184 G HA2 0.301 4.261 3.960 0.000 0.000 0.248 184 G HA3 0.301 4.261 3.960 0.000 0.000 0.248 184 G C -1.012 173.971 174.900 0.137 0.000 1.231 184 G CA -0.272 44.869 45.100 0.069 0.000 0.838 184 G HN 0.182 nan 8.290 nan 0.000 0.570 185 F N 1.894 121.829 119.950 -0.024 0.000 2.574 185 F HA 0.596 5.123 4.527 0.000 0.000 0.313 185 F C -1.114 174.661 175.800 -0.042 0.000 1.130 185 F CA -1.125 56.856 58.000 -0.031 0.000 0.936 185 F CB 2.192 41.178 39.000 -0.025 0.000 1.219 185 F HN 0.391 nan 8.300 nan 0.000 0.445 186 V N 6.071 125.370 119.914 -1.024 0.000 2.443 186 V HA 0.355 4.475 4.120 0.000 0.000 0.293 186 V C -0.165 175.234 176.094 -1.158 0.000 1.021 186 V CA -0.872 60.890 62.300 -0.898 0.000 0.848 186 V CB 1.204 32.786 31.823 -0.401 0.000 0.998 186 V HN 0.844 nan 8.190 nan 0.000 0.424 187 N N 2.225 120.311 118.700 -1.023 0.000 2.327 187 N HA 0.254 4.994 4.740 0.000 0.000 0.257 187 N C -0.329 174.978 175.510 -0.337 0.000 1.281 187 N CA -0.313 52.405 53.050 -0.553 0.000 0.942 187 N CB 0.708 39.010 38.487 -0.308 0.000 1.199 187 N HN 0.663 nan 8.380 nan 0.000 0.532 188 Y N -0.023 120.098 120.300 -0.299 0.000 2.357 188 Y HA 0.163 4.713 4.550 0.000 0.000 0.340 188 Y C 0.869 176.660 175.900 -0.183 0.000 1.260 188 Y CA -0.802 57.163 58.100 -0.224 0.000 1.425 188 Y CB -0.012 38.311 38.460 -0.229 0.000 1.326 188 Y HN 0.714 nan 8.280 nan 0.000 0.580 189 N N -0.250 118.421 118.700 -0.048 0.000 2.727 189 N HA -0.195 4.546 4.740 0.000 0.000 0.249 189 N C -1.446 173.879 175.510 -0.309 0.000 1.048 189 N CA 0.940 53.883 53.050 -0.177 0.000 0.714 189 N CB -1.224 37.148 38.487 -0.192 0.000 0.959 189 N HN 1.213 nan 8.380 nan 0.000 0.544 190 A N -1.687 121.001 122.820 -0.220 0.000 2.602 190 A HA 0.957 5.277 4.320 0.000 0.000 0.290 190 A C 0.722 178.232 177.584 -0.123 0.000 1.114 190 A CA 0.263 52.177 52.037 -0.206 0.000 0.683 190 A CB 1.303 20.152 19.000 -0.251 0.000 1.281 190 A HN 1.266 nan 8.150 nan 0.000 0.416 191 G N -0.932 107.809 108.800 -0.098 0.000 2.288 191 G HA2 0.553 4.514 3.960 0.000 0.000 0.227 191 G HA3 0.553 4.514 3.960 0.000 0.000 0.227 191 G C -0.287 174.609 174.900 -0.006 0.000 1.339 191 G CA 0.612 45.687 45.100 -0.043 0.000 1.057 191 G HN 2.150 nan 8.290 nan 0.000 0.470 192 T N -0.635 113.959 114.554 0.067 0.000 2.888 192 T HA 0.686 5.036 4.350 0.000 0.000 0.284 192 T C 1.196 175.969 174.700 0.121 0.000 1.017 192 T CA -0.555 61.577 62.100 0.054 0.000 1.022 192 T CB 1.785 70.670 68.868 0.028 0.000 1.013 192 T HN 0.659 nan 8.240 nan 0.000 0.465 193 L N 1.133 122.389 121.223 0.056 0.000 2.477 193 L HA 0.407 4.747 4.340 0.000 0.000 0.220 193 L C 1.434 178.347 176.870 0.071 0.000 1.106 193 L CA 0.257 55.138 54.840 0.068 0.000 0.851 193 L CB -0.423 41.642 42.059 0.009 0.000 0.994 193 L HN 0.992 nan 8.230 nan 0.000 0.462 194 G N -0.692 108.135 108.800 0.045 0.000 2.933 194 G HA2 0.599 4.559 3.960 0.000 0.000 0.203 194 G HA3 0.599 4.559 3.960 0.000 0.000 0.203 194 G C -1.444 173.465 174.900 0.014 0.000 1.170 194 G CA 0.099 45.216 45.100 0.028 0.000 0.880 194 G HN -0.016 nan 8.290 nan 0.000 0.573 195 A N -0.197 122.627 122.820 0.006 0.000 2.362 195 A HA 0.715 5.035 4.320 0.000 0.000 0.276 195 A C -0.018 177.564 177.584 -0.003 0.000 1.153 195 A CA 0.163 52.200 52.037 -0.001 0.000 0.813 195 A CB 0.165 19.164 19.000 -0.002 0.000 1.081 195 A HN 1.037 nan 8.150 nan 0.000 0.507 196 S N 1.290 116.985 115.700 -0.007 0.000 2.533 196 S HA 0.473 4.943 4.470 0.000 0.000 0.271 196 S C -0.722 173.871 174.600 -0.013 0.000 1.143 196 S CA -0.562 57.633 58.200 -0.009 0.000 0.891 196 S CB 1.426 64.620 63.200 -0.010 0.000 1.105 196 S HN 0.828 nan 8.310 nan 0.000 0.468 197 M N 3.786 123.380 119.600 -0.010 0.000 2.108 197 M HA 0.455 4.935 4.480 0.000 0.000 0.347 197 M C -1.540 174.754 176.300 -0.010 0.000 1.326 197 M CA -0.187 55.108 55.300 -0.009 0.000 1.126 197 M CB 0.020 32.618 32.600 -0.003 0.000 1.606 197 M HN 0.354 nan 8.290 nan 0.000 0.462 198 V N 6.905 126.810 119.914 -0.014 0.000 2.326 198 V HA 0.348 4.468 4.120 0.000 0.000 0.281 198 V C 0.048 176.141 176.094 -0.001 0.000 1.015 198 V CA -0.319 61.972 62.300 -0.015 0.000 0.823 198 V CB 0.733 32.536 31.823 -0.033 0.000 1.009 198 V HN 0.922 nan 8.190 nan 0.000 0.436 199 E N 2.896 123.102 120.200 0.010 0.000 2.630 199 E HA 0.369 4.719 4.350 0.000 0.000 0.218 199 E C 0.805 177.426 176.600 0.035 0.000 0.977 199 E CA 0.044 56.461 56.400 0.029 0.000 1.038 199 E CB 1.773 31.491 29.700 0.030 0.000 1.051 199 E HN 0.755 nan 8.360 nan 0.000 0.487 200 G N 0.765 109.582 108.800 0.028 0.000 3.222 200 G HA2 0.431 4.391 3.960 0.000 0.000 0.263 200 G HA3 0.431 4.391 3.960 0.000 0.000 0.263 200 G C -0.925 174.014 174.900 0.065 0.000 1.312 200 G CA -0.815 44.309 45.100 0.040 0.000 0.934 200 G HN -0.143 nan 8.290 nan 0.000 0.577 201 R N 0.254 120.804 120.500 0.083 0.000 2.229 201 R HA 0.418 4.758 4.340 0.000 0.000 0.328 201 R C -0.698 175.657 176.300 0.091 0.000 1.009 201 R CA -0.543 55.659 56.100 0.171 0.000 0.864 201 R CB 0.975 31.395 30.300 0.200 0.000 1.085 201 R HN 0.375 nan 8.270 nan 0.000 0.453 202 I N 2.399 122.982 120.570 0.022 0.000 2.306 202 I HA 0.122 4.292 4.170 0.000 0.000 0.288 202 I C 0.354 176.426 176.117 -0.075 0.000 1.036 202 I CA -0.274 60.990 61.300 -0.061 0.000 1.221 202 I CB 1.233 39.154 38.000 -0.132 0.000 1.385 202 I HN 0.423 nan 8.210 nan 0.000 0.472 203 S N 4.192 119.884 115.700 -0.012 0.000 2.589 203 S HA 0.318 4.788 4.470 0.000 0.000 0.265 203 S C 0.627 175.145 174.600 -0.137 0.000 1.342 203 S CA -0.736 57.457 58.200 -0.011 0.000 1.005 203 S CB 0.895 64.093 63.200 -0.003 0.000 0.909 203 S HN 0.721 nan 8.310 nan 0.000 0.555 204 A N 0.626 123.317 122.820 -0.215 0.000 2.566 204 A HA 0.445 4.765 4.320 0.000 0.000 0.245 204 A C 1.545 178.965 177.584 -0.273 0.000 1.056 204 A CA 0.400 52.180 52.037 -0.427 0.000 0.757 204 A CB -1.287 17.324 19.000 -0.648 0.000 0.979 204 A HN 1.782 nan 8.150 nan 0.000 0.508 205 G N 1.149 109.776 108.800 -0.289 0.000 2.217 205 G HA2 -0.191 3.769 3.960 0.000 0.000 0.246 205 G HA3 -0.191 3.769 3.960 0.000 0.000 0.246 205 G C 0.275 175.217 174.900 0.070 0.000 0.990 205 G CA 0.109 45.136 45.100 -0.122 0.000 0.627 205 G HN 1.476 nan 8.290 nan 0.000 0.522 206 V N 1.462 121.350 119.914 -0.043 0.000 2.488 206 V HA 0.534 4.654 4.120 0.000 0.000 0.277 206 V C 0.635 176.707 176.094 -0.036 0.000 1.046 206 V CA -0.324 61.964 62.300 -0.020 0.000 0.986 206 V CB 1.587 33.384 31.823 -0.044 0.000 0.989 206 V HN 0.308 nan 8.190 nan 0.000 0.475 207 V N 5.699 125.609 119.914 -0.006 0.000 2.555 207 V HA 0.514 4.634 4.120 0.000 0.000 0.302 207 V C -0.264 175.817 176.094 -0.023 0.000 1.038 207 V CA -0.616 61.669 62.300 -0.024 0.000 0.887 207 V CB 2.134 33.954 31.823 -0.005 0.000 0.991 207 V HN 0.573 nan 8.190 nan 0.000 0.434 208 V N 3.384 123.283 119.914 -0.025 0.000 2.409 208 V HA 0.663 4.784 4.120 0.000 0.000 0.291 208 V C 0.789 176.877 176.094 -0.010 0.000 1.020 208 V CA -0.331 61.958 62.300 -0.018 0.000 0.848 208 V CB 1.656 33.466 31.823 -0.022 0.000 0.990 208 V HN 0.993 nan 8.190 nan 0.000 0.430 209 G N 2.172 110.968 108.800 -0.007 0.000 2.634 209 G HA2 0.249 4.209 3.960 0.000 0.000 0.255 209 G HA3 0.249 4.209 3.960 0.000 0.000 0.255 209 G C -0.260 174.641 174.900 0.001 0.000 1.205 209 G CA -0.271 44.827 45.100 -0.003 0.000 0.884 209 G HN 0.706 nan 8.290 nan 0.000 0.549 210 D N -0.574 119.829 120.400 0.005 0.000 2.531 210 D HA 0.325 4.965 4.640 0.000 0.000 0.239 210 D C 1.519 177.821 176.300 0.003 0.000 1.144 210 D CA 1.698 55.702 54.000 0.006 0.000 0.869 210 D CB 0.347 41.151 40.800 0.007 0.000 1.160 210 D HN 0.970 nan 8.370 nan 0.000 0.484 211 G N 2.547 111.348 108.800 0.002 0.000 2.184 211 G HA2 -0.254 3.706 3.960 0.000 0.000 0.264 211 G HA3 -0.254 3.706 3.960 0.000 0.000 0.264 211 G C 0.387 175.286 174.900 -0.001 0.000 0.975 211 G CA 0.451 45.551 45.100 0.000 0.000 0.642 211 G HN 0.589 nan 8.290 nan 0.000 0.536 212 S N 1.107 116.806 115.700 -0.001 0.000 2.537 212 S HA 0.564 5.034 4.470 0.000 0.000 0.275 212 S C -0.392 174.204 174.600 -0.005 0.000 1.272 212 S CA -0.450 57.748 58.200 -0.003 0.000 1.050 212 S CB 1.401 64.598 63.200 -0.004 0.000 0.961 212 S HN 0.333 nan 8.310 nan 0.000 0.496 213 D N 1.374 121.770 120.400 -0.005 0.000 2.350 213 D HA 0.414 5.054 4.640 0.000 0.000 0.245 213 D C -0.849 175.444 176.300 -0.010 0.000 1.036 213 D CA -0.385 53.610 54.000 -0.007 0.000 0.848 213 D CB 1.806 42.603 40.800 -0.004 0.000 1.307 213 D HN 0.179 nan 8.370 nan 0.000 0.469 214 V N 1.805 121.711 119.914 -0.012 0.000 2.328 214 V HA 0.509 4.629 4.120 0.000 0.000 0.278 214 V C 1.099 177.187 176.094 -0.009 0.000 1.021 214 V CA -0.707 61.583 62.300 -0.016 0.000 0.838 214 V CB 1.127 32.939 31.823 -0.019 0.000 0.999 214 V HN 0.604 nan 8.190 nan 0.000 0.447 215 G N 3.384 112.178 108.800 -0.011 0.000 2.667 215 G HA2 0.431 4.391 3.960 0.000 0.000 0.250 215 G HA3 0.431 4.391 3.960 0.000 0.000 0.250 215 G C 0.600 175.501 174.900 0.002 0.000 1.212 215 G CA -0.001 45.097 45.100 -0.004 0.000 0.874 215 G HN 1.007 nan 8.290 nan 0.000 0.561 216 G N -1.479 107.327 108.800 0.010 0.000 2.313 216 G HA2 0.506 4.466 3.960 0.000 0.000 0.250 216 G HA3 0.506 4.466 3.960 0.000 0.000 0.250 216 G C 1.278 176.187 174.900 0.015 0.000 1.281 216 G CA 0.760 45.871 45.100 0.019 0.000 0.917 216 G HN 1.962 nan 8.290 nan 0.000 0.501 217 G N 0.764 109.578 108.800 0.023 0.000 2.166 217 G HA2 0.094 4.054 3.960 0.000 0.000 0.260 217 G HA3 0.094 4.054 3.960 0.000 0.000 0.260 217 G C 0.788 175.694 174.900 0.009 0.000 0.986 217 G CA 0.716 45.830 45.100 0.023 0.000 0.683 217 G HN 1.898 nan 8.290 nan 0.000 0.527 218 A N -0.429 122.386 122.820 -0.008 0.000 2.386 218 A HA 0.709 5.029 4.320 0.000 0.000 0.248 218 A C 0.790 178.351 177.584 -0.039 0.000 1.082 218 A CA 1.000 53.008 52.037 -0.049 0.000 0.789 218 A CB 0.860 19.823 19.000 -0.061 0.000 1.025 218 A HN 1.621 nan 8.150 nan 0.000 0.490 219 S N 1.223 116.864 115.700 -0.099 0.000 2.640 219 S HA 0.563 5.033 4.470 0.000 0.000 0.320 219 S C -0.705 173.837 174.600 -0.098 0.000 1.097 219 S CA -0.578 57.598 58.200 -0.040 0.000 1.092 219 S CB -0.136 63.106 63.200 0.071 0.000 0.988 219 S HN 0.476 nan 8.310 nan 0.000 0.470 220 I N 5.771 126.321 120.570 -0.034 0.000 2.307 220 I HA 0.275 4.445 4.170 0.000 0.000 0.289 220 I C 0.562 176.683 176.117 0.006 0.000 1.021 220 I CA -0.393 60.882 61.300 -0.041 0.000 1.224 220 I CB 1.135 39.110 38.000 -0.042 0.000 1.376 220 I HN 0.475 nan 8.210 nan 0.000 0.470 221 M N 3.446 123.061 119.600 0.025 0.000 2.250 221 M HA 0.088 4.568 4.480 0.000 0.000 0.325 221 M C 1.654 177.961 176.300 0.011 0.000 1.084 221 M CA 0.392 55.720 55.300 0.047 0.000 1.161 221 M CB 0.651 33.292 32.600 0.069 0.000 1.481 221 M HN 0.806 nan 8.290 nan 0.000 0.449 222 G N 0.329 109.131 108.800 0.004 0.000 2.440 222 G HA2 -0.088 3.872 3.960 0.000 0.000 0.218 222 G HA3 -0.088 3.872 3.960 0.000 0.000 0.218 222 G C 0.653 175.546 174.900 -0.011 0.000 1.154 222 G CA 1.443 46.535 45.100 -0.014 0.000 0.767 222 G HN 0.691 nan 8.290 nan 0.000 0.552 232 I N 3.882 124.435 120.570 -0.028 0.000 2.428 232 I HA 0.723 4.893 4.170 0.000 0.000 0.296 232 I C 0.346 176.449 176.117 -0.023 0.000 0.985 232 I CA 0.126 61.409 61.300 -0.029 0.000 1.260 232 I CB 1.985 39.969 38.000 -0.026 0.000 1.389 232 I HN 0.837 nan 8.210 nan 0.000 0.484 233 S N 6.098 121.782 115.700 -0.027 0.000 2.618 233 S HA 0.691 5.161 4.470 0.000 0.000 0.277 233 S C -1.046 173.542 174.600 -0.019 0.000 1.138 233 S CA -0.854 57.334 58.200 -0.020 0.000 0.844 233 S CB 2.271 65.459 63.200 -0.020 0.000 1.127 233 S HN 0.279 nan 8.310 nan 0.000 0.474 234 I N 1.559 122.120 120.570 -0.016 0.000 2.509 234 I HA 0.614 4.784 4.170 0.000 0.000 0.293 234 I C 1.158 177.271 176.117 -0.006 0.000 1.020 234 I CA -0.347 60.946 61.300 -0.011 0.000 1.088 234 I CB 1.326 39.317 38.000 -0.015 0.000 1.267 234 I HN 1.047 nan 8.210 nan 0.000 0.430 235 G N 5.579 114.379 108.800 0.000 0.000 2.624 235 G HA2 0.278 4.238 3.960 0.000 0.000 0.217 235 G HA3 0.278 4.238 3.960 0.000 0.000 0.217 235 G C -0.160 174.741 174.900 0.001 0.000 1.506 235 G CA -0.407 44.693 45.100 0.000 0.000 1.072 235 G HN 0.520 nan 8.290 nan 0.000 0.568 236 K N -0.254 120.147 120.400 0.002 0.000 2.118 236 K HA 0.453 4.773 4.320 0.000 0.000 0.267 236 K C 0.051 176.653 176.600 0.003 0.000 0.991 236 K CA -0.440 55.848 56.287 0.002 0.000 0.916 236 K CB 1.159 33.660 32.500 0.001 0.000 1.041 236 K HN 0.469 nan 8.250 nan 0.000 0.455 237 R N -0.641 119.861 120.500 0.002 0.000 3.525 237 R HA -0.196 4.144 4.340 0.000 0.000 0.276 237 R C -0.707 175.596 176.300 0.005 0.000 1.116 237 R CA 0.150 56.252 56.100 0.003 0.000 0.745 237 R CB -2.764 27.537 30.300 0.002 0.000 1.185 237 R HN 0.537 nan 8.270 nan 0.000 0.454 238 C N 0.207 119.511 119.300 0.006 0.000 2.382 238 C HA 0.686 5.146 4.460 0.000 0.000 0.363 238 C C 0.404 175.399 174.990 0.007 0.000 1.213 238 C CA -0.766 58.259 59.018 0.011 0.000 2.363 238 C CB 1.148 28.897 27.740 0.015 0.000 2.397 238 C HN 0.386 nan 8.230 nan 0.000 0.573 239 L N 2.521 123.751 121.223 0.012 0.000 2.404 239 L HA 0.567 4.907 4.340 0.000 0.000 0.272 239 L C -0.908 175.965 176.870 0.006 0.000 0.980 239 L CA -0.034 54.810 54.840 0.007 0.000 0.836 239 L CB 0.926 42.990 42.059 0.008 0.000 1.238 239 L HN 0.565 nan 8.230 nan 0.000 0.408 240 L N 4.865 126.083 121.223 -0.009 0.000 2.257 240 L HA 0.562 4.902 4.340 0.000 0.000 0.290 240 L C 1.039 177.896 176.870 -0.021 0.000 1.044 240 L CA -0.665 54.160 54.840 -0.025 0.000 0.810 240 L CB 1.213 43.242 42.059 -0.051 0.000 1.193 240 L HN 0.738 nan 8.230 nan 0.000 0.425 241 G N 2.156 110.946 108.800 -0.017 0.000 2.614 241 G HA2 0.368 4.328 3.960 0.000 0.000 0.239 241 G HA3 0.368 4.328 3.960 0.000 0.000 0.239 241 G C 0.345 175.235 174.900 -0.017 0.000 1.240 241 G CA -0.197 44.897 45.100 -0.010 0.000 0.842 241 G HN 0.813 nan 8.290 nan 0.000 0.584 242 A N 1.079 123.894 122.820 -0.008 0.000 2.555 242 A HA 0.306 4.626 4.320 0.000 0.000 0.233 242 A C 1.228 178.807 177.584 -0.009 0.000 1.060 242 A CA 0.535 52.569 52.037 -0.006 0.000 0.759 242 A CB -0.148 18.853 19.000 0.002 0.000 0.995 242 A HN 1.167 nan 8.150 nan 0.000 0.506 243 N N -0.991 117.705 118.700 -0.007 0.000 2.708 243 N HA -0.180 4.560 4.740 0.000 0.000 0.251 243 N C 0.334 175.830 175.510 -0.023 0.000 1.123 243 N CA 1.396 54.446 53.050 -0.000 0.000 0.739 243 N CB -1.914 36.583 38.487 0.016 0.000 1.113 243 N HN 1.113 nan 8.380 nan 0.000 0.561 244 S N -1.546 114.111 115.700 -0.071 0.000 2.686 244 S HA 0.827 5.297 4.470 0.000 0.000 0.270 244 S C 0.648 175.039 174.600 -0.348 0.000 1.194 244 S CA 0.017 58.129 58.200 -0.147 0.000 0.990 244 S CB 2.522 65.649 63.200 -0.121 0.000 1.029 244 S HN 0.464 nan 8.310 nan 0.000 0.560 245 G N -0.625 107.778 108.800 -0.661 0.000 2.706 245 G HA2 0.565 4.526 3.960 0.000 0.000 0.297 245 G HA3 0.565 4.526 3.960 0.000 0.000 0.297 245 G C -2.125 172.197 174.900 -0.963 0.000 1.403 245 G CA -0.654 43.593 45.100 -1.421 0.000 0.954 245 G HN 0.799 nan 8.290 nan 0.000 0.500 246 L N 1.950 122.805 121.223 -0.613 0.000 2.404 246 L HA 0.785 5.125 4.340 0.000 0.000 0.272 246 L C 0.638 177.432 176.870 -0.126 0.000 0.980 246 L CA -0.302 54.356 54.840 -0.303 0.000 0.836 246 L CB 1.981 43.911 42.059 -0.214 0.000 1.238 246 L HN 0.695 nan 8.230 nan 0.000 0.408 247 G N 5.665 114.430 108.800 -0.058 0.000 3.519 247 G HA2 0.367 4.327 3.960 0.000 0.000 0.269 247 G HA3 0.367 4.327 3.960 0.000 0.000 0.269 247 G C -0.003 174.875 174.900 -0.036 0.000 1.028 247 G CA 0.279 45.386 45.100 0.011 0.000 0.809 247 G HN 0.631 nan 8.290 nan 0.000 0.521 248 I N -3.807 116.714 120.570 -0.082 0.000 3.145 248 I HA 0.722 4.892 4.170 0.000 0.000 0.313 248 I C -0.436 175.645 176.117 -0.061 0.000 1.122 248 I CA -1.071 60.189 61.300 -0.067 0.000 0.987 248 I CB 1.895 39.848 38.000 -0.078 0.000 1.236 248 I HN -0.239 nan 8.210 nan 0.000 0.453 249 S N 2.616 118.295 115.700 -0.034 0.000 2.592 249 S HA 0.632 5.102 4.470 0.000 0.000 0.271 249 S C -0.311 174.288 174.600 -0.000 0.000 1.326 249 S CA -0.516 57.671 58.200 -0.022 0.000 1.024 249 S CB 0.759 63.948 63.200 -0.018 0.000 0.921 249 S HN 0.372 nan 8.310 nan 0.000 0.527 250 L N 1.458 122.686 121.223 0.009 0.000 2.362 250 L HA 0.557 4.898 4.340 0.000 0.000 0.271 250 L C 1.115 178.003 176.870 0.030 0.000 1.002 250 L CA -0.801 54.066 54.840 0.045 0.000 0.818 250 L CB 1.769 43.859 42.059 0.051 0.000 1.298 250 L HN 0.823 nan 8.230 nan 0.000 0.420 251 G N 0.887 109.709 108.800 0.037 0.000 3.152 251 G HA2 0.101 4.061 3.960 0.000 0.000 0.157 251 G HA3 0.101 4.061 3.960 0.000 0.000 0.157 251 G C -0.484 174.426 174.900 0.017 0.000 1.786 251 G CA -0.160 44.952 45.100 0.020 0.000 1.055 251 G HN 0.546 nan 8.290 nan 0.000 0.528 252 D N 0.403 120.810 120.400 0.012 0.000 2.268 252 D HA 0.317 4.957 4.640 0.000 0.000 0.249 252 D C -0.425 175.881 176.300 0.010 0.000 1.008 252 D CA -0.205 53.800 54.000 0.009 0.000 0.939 252 D CB 1.149 41.951 40.800 0.003 0.000 1.170 252 D HN 0.368 nan 8.370 nan 0.000 0.468 253 D N -0.120 120.285 120.400 0.008 0.000 2.723 253 D HA -0.162 4.478 4.640 0.000 0.000 0.236 253 D C -0.504 175.800 176.300 0.008 0.000 1.138 253 D CA 0.562 54.565 54.000 0.005 0.000 0.676 253 D CB -1.444 39.354 40.800 -0.003 0.000 1.069 253 D HN 0.225 nan 8.370 nan 0.000 0.430 254 C N -0.129 119.187 119.300 0.026 0.000 2.454 254 C HA 0.752 5.212 4.460 0.000 0.000 0.336 254 C C 0.672 175.698 174.990 0.060 0.000 1.189 254 C CA -0.679 58.369 59.018 0.050 0.000 1.877 254 C CB 2.337 30.141 27.740 0.107 0.000 2.348 254 C HN 0.175 nan 8.230 nan 0.000 0.508 255 V N 2.314 122.277 119.914 0.081 0.000 2.638 255 V HA 0.526 4.646 4.120 0.000 0.000 0.306 255 V C -0.668 175.521 176.094 0.159 0.000 1.052 255 V CA -0.381 61.966 62.300 0.078 0.000 0.885 255 V CB 1.950 33.795 31.823 0.037 0.000 0.999 255 V HN 0.695 nan 8.190 nan 0.000 0.424 256 V N 4.373 124.357 119.914 0.116 0.000 2.417 256 V HA 0.372 4.492 4.120 0.000 0.000 0.291 256 V C 0.260 176.389 176.094 0.058 0.000 1.024 256 V CA -0.797 61.576 62.300 0.122 0.000 0.861 256 V CB 1.663 33.491 31.823 0.007 0.000 0.985 256 V HN 1.065 nan 8.190 nan 0.000 0.436 257 E N 4.266 124.509 120.200 0.072 0.000 2.437 257 E HA 0.365 4.715 4.350 0.000 0.000 0.263 257 E C 0.361 176.970 176.600 0.015 0.000 1.030 257 E CA -0.202 56.221 56.400 0.039 0.000 0.934 257 E CB 0.786 30.512 29.700 0.043 0.000 0.943 257 E HN 0.861 nan 8.360 nan 0.000 0.444 258 A N 2.916 125.742 122.820 0.010 0.000 2.591 258 A HA 0.304 4.624 4.320 0.000 0.000 0.244 258 A C 1.436 179.025 177.584 0.008 0.000 1.031 258 A CA 0.627 52.666 52.037 0.004 0.000 0.767 258 A CB -1.125 17.879 19.000 0.007 0.000 0.942 258 A HN 1.433 nan 8.150 nan 0.000 0.514 259 G N 0.726 109.527 108.800 0.002 0.000 2.179 259 G HA2 -0.142 3.818 3.960 0.000 0.000 0.260 259 G HA3 -0.142 3.818 3.960 0.000 0.000 0.260 259 G C 0.060 174.976 174.900 0.027 0.000 0.977 259 G CA 0.462 45.572 45.100 0.017 0.000 0.641 259 G HN 1.707 nan 8.290 nan 0.000 0.533 260 L N 0.810 122.039 121.223 0.010 0.000 2.264 260 L HA 0.744 5.084 4.340 0.000 0.000 0.289 260 L C -0.196 176.660 176.870 -0.023 0.000 1.044 260 L CA -1.592 53.262 54.840 0.023 0.000 0.807 260 L CB 0.709 42.787 42.059 0.032 0.000 1.192 260 L HN 0.170 nan 8.230 nan 0.000 0.425 261 Y N 4.663 124.947 120.300 -0.026 0.000 2.425 261 Y HA 0.481 5.031 4.550 0.000 0.000 0.347 261 Y C -0.401 175.453 175.900 -0.076 0.000 0.976 261 Y CA -0.413 57.658 58.100 -0.048 0.000 1.190 261 Y CB 1.121 39.559 38.460 -0.037 0.000 1.136 261 Y HN 0.377 nan 8.280 nan 0.000 0.517 262 V N 6.287 126.178 119.914 -0.038 0.000 2.318 262 V HA 0.226 4.346 4.120 0.000 0.000 0.271 262 V C 0.168 176.271 176.094 0.016 0.000 1.030 262 V CA -0.559 61.685 62.300 -0.094 0.000 0.844 262 V CB 0.908 32.465 31.823 -0.443 0.000 1.015 262 V HN 0.874 nan 8.190 nan 0.000 0.460 263 T N 2.060 116.662 114.554 0.080 0.000 2.912 263 T HA 0.615 4.965 4.350 0.000 0.000 0.280 263 T C 1.366 176.064 174.700 -0.005 0.000 0.989 263 T CA 0.013 62.154 62.100 0.068 0.000 0.995 263 T CB 1.907 70.795 68.868 0.034 0.000 1.077 263 T HN 0.573 nan 8.240 nan 0.000 0.531 264 A N 0.426 123.243 122.820 -0.005 0.000 2.019 264 A HA 0.209 4.529 4.320 0.000 0.000 0.219 264 A C 2.203 179.784 177.584 -0.006 0.000 1.164 264 A CA 1.412 53.441 52.037 -0.014 0.000 0.644 264 A CB -1.315 17.678 19.000 -0.011 0.000 0.805 264 A HN 1.091 nan 8.150 nan 0.000 0.449 265 G N -1.397 107.401 108.800 -0.004 0.000 3.088 265 G HA2 0.267 4.227 3.960 0.000 0.000 0.217 265 G HA3 0.267 4.227 3.960 0.000 0.000 0.217 265 G C 0.420 175.323 174.900 0.005 0.000 1.159 265 G CA 0.457 45.556 45.100 -0.001 0.000 0.760 265 G HN 0.335 nan 8.290 nan 0.000 0.550 266 T N 1.318 115.876 114.554 0.007 0.000 2.817 266 T HA 0.197 4.548 4.350 0.000 0.000 0.295 266 T C 0.525 175.245 174.700 0.033 0.000 0.958 266 T CA -0.234 61.877 62.100 0.019 0.000 1.157 266 T CB 1.220 70.100 68.868 0.020 0.000 0.898 266 T HN 0.338 nan 8.240 nan 0.000 0.536 267 R N 3.072 123.593 120.500 0.034 0.000 2.401 267 R HA 0.353 4.693 4.340 0.000 0.000 0.299 267 R C -0.327 176.010 176.300 0.062 0.000 1.064 267 R CA -0.424 55.701 56.100 0.042 0.000 1.000 267 R CB 0.168 30.485 30.300 0.029 0.000 0.973 267 R HN 0.538 nan 8.270 nan 0.000 0.438 268 V N 1.298 121.259 119.914 0.080 0.000 2.540 268 V HA 0.502 4.622 4.120 0.000 0.000 0.302 268 V C -0.318 175.815 176.094 0.066 0.000 1.035 268 V CA -0.759 61.604 62.300 0.105 0.000 0.873 268 V CB 1.906 33.847 31.823 0.197 0.000 0.992 268 V HN 0.738 nan 8.190 nan 0.000 0.428 269 T N 6.755 121.338 114.554 0.048 0.000 2.856 269 T HA 0.589 4.939 4.350 0.000 0.000 0.292 269 T C -0.013 174.691 174.700 0.007 0.000 0.980 269 T CA -0.197 61.918 62.100 0.025 0.000 1.091 269 T CB 1.056 69.935 68.868 0.019 0.000 0.936 269 T HN 0.741 nan 8.240 nan 0.000 0.503 270 M N 2.782 122.380 119.600 -0.002 0.000 2.613 270 M HA 0.304 4.784 4.480 0.000 0.000 0.301 270 M C -1.534 174.753 176.300 -0.023 0.000 1.205 270 M CA -2.524 52.764 55.300 -0.021 0.000 0.950 270 M CB 1.494 34.084 32.600 -0.017 0.000 1.585 270 M HN 0.286 nan 8.290 nan 0.000 0.490 271 P HA -0.187 nan 4.420 nan 0.000 0.216 271 P C 0.207 177.496 177.300 -0.019 0.000 1.150 271 P CA 1.353 64.436 63.100 -0.028 0.000 0.843 271 P CB -0.133 31.546 31.700 -0.035 0.000 0.787 272 D N -2.351 118.040 120.400 -0.016 0.000 2.363 272 D HA 0.014 4.654 4.640 0.000 0.000 0.226 272 D C 0.778 177.074 176.300 -0.007 0.000 1.020 272 D CA 0.653 54.647 54.000 -0.011 0.000 0.892 272 D CB -0.694 40.100 40.800 -0.009 0.000 0.900 272 D HN 0.030 nan 8.370 nan 0.000 0.531 273 S N -1.627 114.069 115.700 -0.007 0.000 2.765 273 S HA -0.198 4.272 4.470 0.000 0.000 0.266 273 S C 0.129 174.730 174.600 0.001 0.000 1.302 273 S CA 0.423 58.622 58.200 -0.003 0.000 1.274 273 S CB -1.814 61.384 63.200 -0.002 0.000 1.559 273 S HN 0.483 nan 8.310 nan 0.000 0.658 274 N N 1.748 120.448 118.700 0.000 0.000 2.408 274 N HA 0.604 5.344 4.740 0.000 0.000 0.260 274 N C -0.156 175.359 175.510 0.008 0.000 1.242 274 N CA 0.551 53.603 53.050 0.004 0.000 0.959 274 N CB 1.465 39.954 38.487 0.003 0.000 1.201 274 N HN 0.651 nan 8.380 nan 0.000 0.511 275 S N -1.413 114.295 115.700 0.013 0.000 2.599 275 S HA 0.767 5.237 4.470 0.000 0.000 0.287 275 S C -0.800 173.814 174.600 0.024 0.000 1.105 275 S CA -0.748 57.465 58.200 0.020 0.000 0.899 275 S CB 1.690 64.903 63.200 0.022 0.000 1.100 275 S HN 0.357 nan 8.310 nan 0.000 0.482 276 V N 0.877 120.812 119.914 0.034 0.000 3.147 276 V HA 0.610 4.730 4.120 0.000 0.000 0.306 276 V C -1.522 174.599 176.094 0.044 0.000 1.209 276 V CA -0.968 61.353 62.300 0.035 0.000 1.023 276 V CB 2.159 34.004 31.823 0.036 0.000 1.059 276 V HN 1.018 nan 8.190 nan 0.000 0.435 277 K N 2.605 123.026 120.400 0.035 0.000 2.355 277 K HA 0.387 4.707 4.320 0.000 0.000 0.270 277 K C 1.165 177.795 176.600 0.050 0.000 1.003 277 K CA 0.531 56.839 56.287 0.035 0.000 0.957 277 K CB 1.018 33.530 32.500 0.021 0.000 0.939 277 K HN 0.910 nan 8.250 nan 0.000 0.482 278 A N 3.144 125.993 122.820 0.048 0.000 2.019 278 A HA -0.215 4.106 4.320 0.000 0.000 0.219 278 A C 1.948 179.557 177.584 0.042 0.000 1.164 278 A CA 1.711 53.784 52.037 0.060 0.000 0.644 278 A CB -0.383 18.604 19.000 -0.021 0.000 0.805 278 A HN 0.802 nan 8.150 nan 0.000 0.449 279 R N 0.009 120.520 120.500 0.019 0.000 2.193 279 R HA -0.087 4.253 4.340 0.000 0.000 0.229 279 R C 1.347 177.662 176.300 0.025 0.000 1.110 279 R CA 1.544 57.652 56.100 0.013 0.000 0.988 279 R CB -0.543 29.759 30.300 0.004 0.000 0.871 279 R HN 0.566 nan 8.270 nan 0.000 0.458 280 E N 0.970 121.191 120.200 0.035 0.000 2.333 280 E HA -0.081 4.269 4.350 0.000 0.000 0.198 280 E C 1.416 178.045 176.600 0.048 0.000 1.007 280 E CA 0.860 57.281 56.400 0.035 0.000 0.845 280 E CB 0.039 29.758 29.700 0.032 0.000 0.766 280 E HN 0.437 nan 8.360 nan 0.000 0.507 281 L N 0.125 121.394 121.223 0.077 0.000 2.640 281 L HA 0.126 4.466 4.340 0.000 0.000 0.230 281 L C 0.945 177.875 176.870 0.100 0.000 1.123 281 L CA -0.422 54.482 54.840 0.107 0.000 0.900 281 L CB 0.540 42.725 42.059 0.210 0.000 1.146 281 L HN -0.119 nan 8.230 nan 0.000 0.484 282 S N 0.333 116.070 115.700 0.062 0.000 2.563 282 S HA 0.234 4.704 4.470 0.000 0.000 0.294 282 S C 1.362 175.981 174.600 0.032 0.000 1.279 282 S CA 0.937 59.159 58.200 0.037 0.000 1.069 282 S CB 0.356 63.562 63.200 0.011 0.000 0.828 282 S HN 0.654 nan 8.310 nan 0.000 0.497 283 G N 3.560 112.378 108.800 0.031 0.000 2.205 283 G HA2 -0.246 3.714 3.960 0.000 0.000 0.261 283 G HA3 -0.246 3.714 3.960 0.000 0.000 0.261 283 G C 0.328 175.245 174.900 0.028 0.000 0.980 283 G CA 0.327 45.439 45.100 0.020 0.000 0.632 283 G HN 0.862 nan 8.290 nan 0.000 0.533 284 S N 0.211 115.939 115.700 0.047 0.000 2.603 284 S HA 0.662 5.132 4.470 0.000 0.000 0.268 284 S C 0.623 175.244 174.600 0.036 0.000 1.317 284 S CA 0.298 58.520 58.200 0.037 0.000 1.012 284 S CB 1.475 64.699 63.200 0.041 0.000 0.926 284 S HN 0.516 nan 8.310 nan 0.000 0.539 285 S N 1.670 117.379 115.700 0.014 0.000 2.718 285 S HA 0.447 4.917 4.470 0.000 0.000 0.300 285 S C 0.070 174.664 174.600 -0.011 0.000 1.117 285 S CA -0.839 57.365 58.200 0.007 0.000 1.002 285 S CB 0.626 63.827 63.200 0.001 0.000 1.092 285 S HN 0.776 nan 8.310 nan 0.000 0.542 286 N N 0.238 118.930 118.700 -0.014 0.000 2.754 286 N HA -0.143 4.597 4.740 0.000 0.000 0.248 286 N C -1.217 174.252 175.510 -0.068 0.000 1.093 286 N CA 0.527 53.557 53.050 -0.033 0.000 0.699 286 N CB -1.653 36.814 38.487 -0.032 0.000 1.016 286 N HN 0.461 nan 8.380 nan 0.000 0.552 287 L N 0.422 121.597 121.223 -0.080 0.000 2.317 287 L HA 0.619 4.959 4.340 0.000 0.000 0.281 287 L C 0.425 177.158 176.870 -0.229 0.000 1.024 287 L CA -0.749 53.961 54.840 -0.218 0.000 0.810 287 L CB 1.879 43.757 42.059 -0.301 0.000 1.240 287 L HN 0.085 nan 8.230 nan 0.000 0.427 288 L N 2.694 123.730 121.223 -0.311 0.000 2.349 288 L HA 0.557 4.897 4.340 0.000 0.000 0.278 288 L C -1.273 175.398 176.870 -0.332 0.000 0.996 288 L CA -0.182 54.540 54.840 -0.197 0.000 0.825 288 L CB 1.139 43.141 42.059 -0.096 0.000 1.243 288 L HN 0.300 nan 8.230 nan 0.000 0.412 289 F N 4.963 124.906 119.950 -0.012 0.000 2.408 289 F HA 0.617 5.144 4.527 0.000 0.000 0.344 289 F C 0.456 176.251 175.800 -0.008 0.000 1.112 289 F CA -0.282 57.713 58.000 -0.009 0.000 1.096 289 F CB 1.156 40.149 39.000 -0.013 0.000 1.129 289 F HN 0.485 nan 8.300 nan 0.000 0.486 290 R N 1.954 122.544 120.500 0.150 0.000 2.799 290 R HA 0.640 4.980 4.340 0.000 0.000 0.270 290 R C -1.460 174.892 176.300 0.087 0.000 1.010 290 R CA -1.242 54.916 56.100 0.096 0.000 0.916 290 R CB 1.829 32.156 30.300 0.046 0.000 1.228 290 R HN 0.639 nan 8.270 nan 0.000 0.469 291 R N 1.855 122.393 120.500 0.064 0.000 2.229 291 R HA 0.152 4.492 4.340 0.000 0.000 0.332 291 R C -0.547 175.774 176.300 0.035 0.000 0.989 291 R CA -0.602 55.529 56.100 0.052 0.000 0.842 291 R CB 0.888 31.217 30.300 0.047 0.000 1.119 291 R HN 0.682 nan 8.270 nan 0.000 0.456 292 N N 1.941 120.659 118.700 0.029 0.000 2.294 292 N HA -0.099 4.641 4.740 0.000 0.000 0.263 292 N C 0.079 175.600 175.510 0.018 0.000 1.281 292 N CA 0.581 53.643 53.050 0.020 0.000 0.846 292 N CB 0.806 39.303 38.487 0.017 0.000 1.061 292 N HN 0.656 nan 8.380 nan 0.000 0.478 293 S N 1.904 117.613 115.700 0.014 0.000 2.603 293 S HA 0.020 4.490 4.470 0.000 0.000 0.220 293 S C 1.642 176.248 174.600 0.010 0.000 0.967 293 S CA -0.198 58.010 58.200 0.013 0.000 0.920 293 S CB 0.455 63.661 63.200 0.011 0.000 0.773 293 S HN 0.399 nan 8.310 nan 0.000 0.529 294 V N 1.832 121.752 119.914 0.009 0.000 2.690 294 V HA 0.046 4.166 4.120 0.000 0.000 0.240 294 V C 2.529 178.628 176.094 0.008 0.000 1.078 294 V CA 1.430 63.734 62.300 0.008 0.000 1.102 294 V CB -0.158 31.669 31.823 0.006 0.000 0.800 294 V HN 0.670 nan 8.190 nan 0.000 0.479 295 S N -0.151 115.555 115.700 0.010 0.000 2.524 295 S HA 0.262 4.732 4.470 0.000 0.000 0.216 295 S C 1.744 176.352 174.600 0.013 0.000 0.987 295 S CA 0.896 59.102 58.200 0.010 0.000 0.909 295 S CB 0.729 63.935 63.200 0.010 0.000 0.781 295 S HN 1.138 nan 8.310 nan 0.000 0.521 296 G N 1.166 109.975 108.800 0.016 0.000 2.212 296 G HA2 -0.190 3.770 3.960 0.000 0.000 0.266 296 G HA3 -0.190 3.770 3.960 0.000 0.000 0.266 296 G C 0.286 175.200 174.900 0.024 0.000 0.978 296 G CA 0.044 45.155 45.100 0.019 0.000 0.632 296 G HN 1.371 nan 8.290 nan 0.000 0.537 297 A N 0.334 123.168 122.820 0.024 0.000 2.409 297 A HA 0.655 4.975 4.320 0.000 0.000 0.262 297 A C 0.739 178.348 177.584 0.042 0.000 1.113 297 A CA 0.221 52.276 52.037 0.030 0.000 0.790 297 A CB 0.865 19.880 19.000 0.024 0.000 1.046 297 A HN 1.178 nan 8.150 nan 0.000 0.496 298 V N 3.677 123.624 119.914 0.055 0.000 2.529 298 V HA 0.131 4.251 4.120 0.000 0.000 0.292 298 V C 0.404 176.550 176.094 0.086 0.000 1.028 298 V CA 0.458 62.809 62.300 0.084 0.000 1.074 298 V CB -0.048 31.834 31.823 0.099 0.000 0.958 298 V HN 0.961 nan 8.190 nan 0.000 0.481 299 E N 3.020 123.271 120.200 0.086 0.000 2.312 299 E HA 0.707 5.057 4.350 0.000 0.000 0.267 299 E C -1.364 175.239 176.600 0.005 0.000 0.894 299 E CA -0.824 55.601 56.400 0.041 0.000 0.773 299 E CB 3.007 32.713 29.700 0.010 0.000 1.241 299 E HN 0.410 nan 8.360 nan 0.000 0.432 300 V N 2.912 122.776 119.914 -0.083 0.000 2.540 300 V HA 0.444 4.564 4.120 0.000 0.000 0.302 300 V C -1.631 174.334 176.094 -0.215 0.000 1.035 300 V CA -0.614 61.512 62.300 -0.290 0.000 0.873 300 V CB 1.319 32.868 31.823 -0.455 0.000 0.992 300 V HN 0.431 nan 8.190 nan 0.000 0.428 301 L N 5.407 126.485 121.223 -0.242 0.000 2.342 301 L HA 0.820 5.160 4.340 0.000 0.000 0.271 301 L C 0.443 177.215 176.870 -0.164 0.000 1.008 301 L CA -0.191 54.558 54.840 -0.152 0.000 0.818 301 L CB 1.774 43.769 42.059 -0.106 0.000 1.296 301 L HN 0.776 nan 8.230 nan 0.000 0.427 302 A N 3.132 125.884 122.820 -0.112 0.000 2.454 302 A HA 0.507 4.828 4.320 0.000 0.000 0.260 302 A C 0.121 177.662 177.584 -0.072 0.000 1.106 302 A CA -0.270 51.713 52.037 -0.090 0.000 0.780 302 A CB -0.100 18.861 19.000 -0.064 0.000 1.044 302 A HN 0.681 nan 8.150 nan 0.000 0.498 303 R N 2.168 122.628 120.500 -0.067 0.000 2.410 303 R HA 0.363 4.703 4.340 0.000 0.000 0.288 303 R C -0.774 175.505 176.300 -0.035 0.000 1.051 303 R CA -0.497 55.574 56.100 -0.048 0.000 1.021 303 R CB 0.512 30.786 30.300 -0.043 0.000 1.032 303 R HN 0.777 nan 8.270 nan 0.000 0.481 304 D N 1.158 121.542 120.400 -0.028 0.000 2.870 304 D HA -0.148 4.492 4.640 0.000 0.000 0.228 304 D C 0.706 176.994 176.300 -0.020 0.000 1.147 304 D CA 1.536 55.523 54.000 -0.021 0.000 0.757 304 D CB -1.429 39.361 40.800 -0.018 0.000 1.091 304 D HN 1.072 nan 8.370 nan 0.000 0.429 305 G N -0.110 108.677 108.800 -0.023 0.000 2.258 305 G HA2 -0.404 3.557 3.960 0.000 0.000 0.274 305 G HA3 -0.404 3.557 3.960 0.000 0.000 0.274 305 G C 0.887 175.775 174.900 -0.021 0.000 1.021 305 G CA 0.743 45.831 45.100 -0.021 0.000 0.798 305 G HN 0.395 nan 8.290 nan 0.000 0.507 306 Q N -0.344 119.441 119.800 -0.025 0.000 2.425 306 Q HA 0.330 4.670 4.340 0.000 0.000 0.204 306 Q C 1.778 177.762 176.000 -0.026 0.000 0.933 306 Q CA 1.056 56.844 55.803 -0.024 0.000 0.939 306 Q CB 0.060 28.784 28.738 -0.024 0.000 1.044 306 Q HN 1.793 nan 8.270 nan 0.000 0.513 307 G N 1.438 110.219 108.800 -0.031 0.000 2.915 307 G HA2 -0.243 3.717 3.960 0.000 0.000 0.337 307 G HA3 -0.243 3.717 3.960 0.000 0.000 0.337 307 G C -0.420 174.458 174.900 -0.037 0.000 1.477 307 G CA -0.490 44.591 45.100 -0.032 0.000 0.916 307 G HN 0.203 nan 8.290 nan 0.000 0.550 308 I N 0.924 121.472 120.570 -0.037 0.000 2.404 308 I HA 0.603 4.773 4.170 0.000 0.000 0.293 308 I C 0.713 176.815 176.117 -0.025 0.000 0.992 308 I CA -0.419 60.856 61.300 -0.041 0.000 1.149 308 I CB 1.422 39.392 38.000 -0.050 0.000 1.315 308 I HN 1.040 nan 8.210 nan 0.000 0.446 309 A N 7.235 130.043 122.820 -0.019 0.000 2.287 309 A HA 0.603 4.923 4.320 0.000 0.000 0.317 309 A C -0.182 177.403 177.584 0.000 0.000 1.220 309 A CA -0.526 51.506 52.037 -0.008 0.000 0.835 309 A CB 0.858 19.855 19.000 -0.006 0.000 1.180 309 A HN 0.540 nan 8.150 nan 0.000 0.500 310 L N 0.000 121.225 121.223 0.003 0.000 2.949 310 L HA 0.000 4.340 4.340 0.000 0.000 0.249 310 L CA 0.000 54.847 54.840 0.012 0.000 0.813 310 L CB 0.000 42.065 42.059 0.010 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502