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 2fd6_1_U DATA FIRST_RESID 1 DATA SEQUENCE LRcMQcKTNG DcRVEEcALG QDLcRTTIVR LWEXXXELEL VEKScTHSEK DATA SEQUENCE TNRTLSYRTG LKITSLTEVV cGLDLcNQGN XXXXXXXXXX XYLEcIScGS DATA SEQUENCE SDMScERGRH QSLQcRSPEE QcLDVVTHWX XXXXXXXXXD DRHLRGcGYL DATA SEQUENCE PGcPGSNGFH NNDTFHFLKc cNTTKcNEGP ILELENLPQN GRQcYScKGN DATA SEQUENCE STHGcSSEET FLIDcRGPMN QcLVATGTHE PKNQSYMVRG cATASMcQXX DATA SEQUENCE XLGDAFSMNH IDVSccTKSG cNHPD 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.863 176.870 -0.012 0.000 1.165 1 L CA 0.000 54.834 54.840 -0.011 0.000 0.813 1 L CB 0.000 42.051 42.059 -0.013 0.000 0.961 2 R N 2.390 122.882 120.500 -0.012 0.000 2.686 2 R HA 0.795 5.135 4.340 0.000 0.000 0.286 2 R C -1.430 174.861 176.300 -0.015 0.000 0.969 2 R CA -0.540 55.553 56.100 -0.013 0.000 0.898 2 R CB 2.278 32.572 30.300 -0.010 0.000 1.183 2 R HN 0.599 nan 8.270 nan 0.000 0.456 3 c N 1.887 120.477 118.600 -0.017 0.000 2.994 3 c HA 0.512 5.082 4.570 0.000 0.000 0.304 3 c C -0.256 173.825 174.090 -0.015 0.000 1.273 3 c CA -1.071 55.247 56.329 -0.018 0.000 1.537 3 c CB 1.915 44.411 42.510 -0.024 0.000 2.001 3 c HN 0.668 nan 8.230 nan 0.000 0.471 4 M N 2.264 121.856 119.600 -0.014 0.000 2.217 4 M HA 0.264 4.744 4.480 0.000 0.000 0.354 4 M C -0.090 176.202 176.300 -0.013 0.000 1.225 4 M CA 0.695 55.988 55.300 -0.011 0.000 1.137 4 M CB 0.246 32.841 32.600 -0.009 0.000 1.576 4 M HN 0.789 nan 8.290 nan 0.000 0.461 5 Q N 2.808 122.601 119.800 -0.011 0.000 2.381 5 Q HA 0.433 4.773 4.340 0.000 0.000 0.263 5 Q C -1.847 174.149 176.000 -0.007 0.000 1.030 5 Q CA -0.376 55.420 55.803 -0.011 0.000 0.772 5 Q CB 1.053 29.784 28.738 -0.012 0.000 1.232 5 Q HN 0.825 nan 8.270 nan 0.000 0.476 6 c N 3.619 122.216 118.600 -0.006 0.000 2.507 6 c HA 0.581 5.151 4.570 0.000 0.000 0.319 6 c C -0.060 174.029 174.090 -0.001 0.000 1.208 6 c CA -0.884 55.443 56.329 -0.003 0.000 1.619 6 c CB 1.571 44.079 42.510 -0.002 0.000 2.230 6 c HN 0.839 nan 8.230 nan 0.000 0.492 7 K N 0.444 120.844 120.400 0.000 0.000 2.209 7 K HA 0.383 4.703 4.320 0.000 0.000 0.238 7 K C 1.279 177.881 176.600 0.004 0.000 1.028 7 K CA -0.158 56.130 56.287 0.002 0.000 0.935 7 K CB 0.512 33.014 32.500 0.002 0.000 1.162 7 K HN 0.827 nan 8.250 nan 0.000 0.485 8 T N -1.983 112.575 114.554 0.005 0.000 2.995 8 T HA -0.128 4.222 4.350 0.000 0.000 0.269 8 T C 1.302 176.005 174.700 0.005 0.000 1.091 8 T CA 1.171 63.275 62.100 0.006 0.000 1.128 8 T CB -0.388 68.485 68.868 0.008 0.000 0.891 8 T HN 0.603 nan 8.240 nan 0.000 0.492 9 N N 1.930 120.633 118.700 0.004 0.000 2.512 9 N HA 0.158 4.898 4.740 0.000 0.000 0.183 9 N C 1.606 177.118 175.510 0.003 0.000 1.073 9 N CA 1.027 54.079 53.050 0.003 0.000 0.911 9 N CB -0.704 37.785 38.487 0.003 0.000 0.964 9 N HN 0.654 nan 8.380 nan 0.000 0.447 10 G N -0.823 107.978 108.800 0.002 0.000 2.195 10 G HA2 -0.248 3.712 3.960 0.000 0.000 0.224 10 G HA3 -0.248 3.712 3.960 0.000 0.000 0.224 10 G C -0.536 174.364 174.900 0.001 0.000 0.990 10 G CA 0.067 45.169 45.100 0.002 0.000 0.639 10 G HN 0.539 nan 8.290 nan 0.000 0.514 11 D N 1.363 121.764 120.400 0.001 0.000 2.349 11 D HA 0.424 5.064 4.640 0.000 0.000 0.266 11 D C 0.488 176.788 176.300 -0.001 0.000 1.293 11 D CA 0.271 54.271 54.000 -0.000 0.000 0.926 11 D CB 0.108 40.908 40.800 0.000 0.000 1.090 11 D HN 0.264 nan 8.370 nan 0.000 0.502 12 c N 3.951 122.550 118.600 -0.002 0.000 2.486 12 c HA 0.805 5.375 4.570 0.000 0.000 0.348 12 c C 0.360 174.448 174.090 -0.003 0.000 1.203 12 c CA -0.776 55.551 56.329 -0.003 0.000 1.911 12 c CB 1.685 44.193 42.510 -0.003 0.000 2.340 12 c HN 0.744 nan 8.230 nan 0.000 0.511 13 R N 0.286 120.783 120.500 -0.004 0.000 2.709 13 R HA 0.517 4.857 4.340 0.000 0.000 0.270 13 R C -2.189 174.108 176.300 -0.006 0.000 1.038 13 R CA -0.427 55.670 56.100 -0.005 0.000 0.872 13 R CB 0.915 31.212 30.300 -0.004 0.000 1.259 13 R HN 0.505 nan 8.270 nan 0.000 0.473 14 V N 2.237 122.147 119.914 -0.006 0.000 2.583 14 V HA 0.253 4.373 4.120 0.000 0.000 0.287 14 V C 0.170 176.259 176.094 -0.008 0.000 1.051 14 V CA 0.025 62.321 62.300 -0.007 0.000 1.010 14 V CB 1.262 33.081 31.823 -0.007 0.000 0.988 14 V HN 0.683 nan 8.190 nan 0.000 0.478 15 E N 3.457 123.651 120.200 -0.011 0.000 2.187 15 E HA 0.313 4.663 4.350 0.000 0.000 0.268 15 E C -0.876 175.716 176.600 -0.013 0.000 0.896 15 E CA -0.684 55.709 56.400 -0.012 0.000 0.766 15 E CB 1.330 31.021 29.700 -0.016 0.000 1.142 15 E HN 0.669 nan 8.360 nan 0.000 0.408 16 E N 3.453 123.646 120.200 -0.010 0.000 2.044 16 E HA 0.146 4.496 4.350 0.000 0.000 0.282 16 E C -0.358 176.235 176.600 -0.011 0.000 1.031 16 E CA -0.340 56.055 56.400 -0.009 0.000 0.824 16 E CB 0.751 30.447 29.700 -0.006 0.000 1.076 16 E HN 0.503 nan 8.360 nan 0.000 0.395 17 c N 2.677 121.268 118.600 -0.014 0.000 2.634 17 c HA 0.193 4.763 4.570 0.000 0.000 0.417 17 c C 1.203 175.288 174.090 -0.008 0.000 1.334 17 c CA -0.291 56.028 56.329 -0.017 0.000 1.829 17 c CB -0.619 41.879 42.510 -0.021 0.000 2.665 17 c HN 0.710 nan 8.230 nan 0.000 0.614 18 A N 3.790 126.608 122.820 -0.004 0.000 2.302 18 A HA 0.559 4.879 4.320 0.000 0.000 0.285 18 A C 0.012 177.605 177.584 0.015 0.000 1.105 18 A CA -0.527 51.514 52.037 0.008 0.000 0.816 18 A CB 0.183 19.192 19.000 0.016 0.000 1.067 18 A HN 0.895 nan 8.150 nan 0.000 0.489 19 L N 1.352 122.585 121.223 0.018 0.000 2.640 19 L HA 0.160 4.500 4.340 0.000 0.000 0.280 19 L C 1.568 178.459 176.870 0.035 0.000 1.229 19 L CA 1.695 56.547 54.840 0.020 0.000 0.919 19 L CB -0.139 41.932 42.059 0.019 0.000 1.168 19 L HN 1.262 nan 8.230 nan 0.000 0.496 20 G N 2.282 111.101 108.800 0.031 0.000 2.284 20 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 20 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 20 G C 0.327 175.264 174.900 0.062 0.000 1.009 20 G CA -0.389 44.740 45.100 0.049 0.000 0.625 20 G HN 0.576 nan 8.290 nan 0.000 0.501 21 Q N 2.058 121.883 119.800 0.043 0.000 2.571 21 Q HA 0.349 4.689 4.340 0.000 0.000 0.222 21 Q C -0.350 175.642 176.000 -0.014 0.000 1.167 21 Q CA 0.140 55.944 55.803 0.002 0.000 0.966 21 Q CB 0.504 29.211 28.738 -0.051 0.000 1.274 21 Q HN 0.638 nan 8.270 nan 0.000 0.552 22 D N 2.436 122.832 120.400 -0.008 0.000 2.525 22 D HA 0.148 4.788 4.640 0.000 0.000 0.229 22 D C -0.094 176.196 176.300 -0.016 0.000 1.202 22 D CA 0.008 54.001 54.000 -0.012 0.000 0.828 22 D CB 0.480 41.274 40.800 -0.009 0.000 1.008 22 D HN 0.287 nan 8.370 nan 0.000 0.493 23 L N -0.060 121.148 121.223 -0.025 0.000 2.434 23 L HA 0.427 4.767 4.340 0.000 0.000 0.260 23 L C -0.863 175.984 176.870 -0.038 0.000 0.983 23 L CA -0.923 53.902 54.840 -0.026 0.000 0.820 23 L CB 2.752 44.800 42.059 -0.018 0.000 1.361 23 L HN -0.013 nan 8.230 nan 0.000 0.410 24 c N 1.438 120.021 118.600 -0.029 0.000 2.391 24 c HA 0.834 5.404 4.570 0.000 0.000 0.339 24 c C -0.096 173.978 174.090 -0.026 0.000 1.205 24 c CA -0.667 55.644 56.329 -0.030 0.000 1.937 24 c CB 1.261 43.758 42.510 -0.021 0.000 2.341 24 c HN 0.844 nan 8.230 nan 0.000 0.516 25 R N 0.342 120.826 120.500 -0.027 0.000 2.673 25 R HA 0.748 5.088 4.340 0.000 0.000 0.281 25 R C -1.378 174.915 176.300 -0.012 0.000 0.991 25 R CA -0.226 55.863 56.100 -0.018 0.000 0.896 25 R CB 0.502 30.789 30.300 -0.021 0.000 1.201 25 R HN 0.514 nan 8.270 nan 0.000 0.457 26 T N 2.305 116.856 114.554 -0.004 0.000 2.833 26 T HA 0.403 4.753 4.350 0.000 0.000 0.297 26 T C -0.874 173.828 174.700 0.005 0.000 1.015 26 T CA -0.611 61.489 62.100 -0.001 0.000 0.963 26 T CB 1.391 70.259 68.868 -0.001 0.000 0.955 26 T HN 0.622 nan 8.240 nan 0.000 0.449 27 T N 4.866 119.424 114.554 0.007 0.000 2.749 27 T HA 0.588 4.938 4.350 0.000 0.000 0.287 27 T C 0.073 174.781 174.700 0.014 0.000 0.970 27 T CA -0.444 61.664 62.100 0.013 0.000 0.980 27 T CB 0.338 69.216 68.868 0.016 0.000 0.924 27 T HN 0.430 nan 8.240 nan 0.000 0.456 28 I N 2.999 123.578 120.570 0.015 0.000 2.465 28 I HA 0.551 4.721 4.170 0.000 0.000 0.291 28 I C -0.647 175.479 176.117 0.016 0.000 1.014 28 I CA -1.163 60.145 61.300 0.014 0.000 1.093 28 I CB 2.045 40.051 38.000 0.010 0.000 1.267 28 I HN 0.252 nan 8.210 nan 0.000 0.431 29 V N 6.340 126.263 119.914 0.015 0.000 2.540 29 V HA 0.546 4.666 4.120 0.000 0.000 0.302 29 V C -0.295 175.805 176.094 0.010 0.000 1.035 29 V CA -0.688 61.620 62.300 0.012 0.000 0.873 29 V CB 2.043 33.877 31.823 0.018 0.000 0.992 29 V HN 0.682 nan 8.190 nan 0.000 0.428 30 R N 4.373 124.875 120.500 0.003 0.000 2.513 30 R HA 0.712 5.052 4.340 0.000 0.000 0.301 30 R C -1.909 174.404 176.300 0.021 0.000 0.968 30 R CA -0.849 55.263 56.100 0.019 0.000 0.872 30 R CB 2.112 32.427 30.300 0.025 0.000 1.177 30 R HN 0.440 nan 8.270 nan 0.000 0.444 31 L N 3.144 124.392 121.223 0.042 0.000 2.342 31 L HA 0.423 4.763 4.340 0.000 0.000 0.276 31 L C -0.768 176.165 176.870 0.104 0.000 0.997 31 L CA -0.338 54.531 54.840 0.047 0.000 0.838 31 L CB 0.821 42.886 42.059 0.011 0.000 1.224 31 L HN 0.585 nan 8.230 nan 0.000 0.416 32 W N 4.428 125.702 121.300 -0.045 0.000 2.578 32 W HA 0.737 5.397 4.660 0.000 0.000 0.346 32 W C -0.350 176.156 176.519 -0.022 0.000 1.075 32 W CA 0.007 57.335 57.345 -0.029 0.000 1.233 32 W CB 1.262 30.706 29.460 -0.027 0.000 1.358 32 W HN 0.511 nan 8.180 nan 0.000 0.574 38 L N 2.559 123.803 121.223 0.037 0.000 2.385 38 L HA 0.584 4.924 4.340 0.000 0.000 0.273 38 L C -1.345 175.541 176.870 0.027 0.000 0.990 38 L CA -0.154 54.698 54.840 0.021 0.000 0.821 38 L CB 1.741 43.802 42.059 0.004 0.000 1.279 38 L HN 0.584 nan 8.230 nan 0.000 0.412 39 E N 4.307 124.520 120.200 0.022 0.000 2.199 39 E HA 0.537 4.887 4.350 0.000 0.000 0.265 39 E C -1.791 174.818 176.600 0.014 0.000 0.882 39 E CA -0.761 55.651 56.400 0.020 0.000 0.759 39 E CB 1.312 31.024 29.700 0.021 0.000 1.148 39 E HN 0.601 nan 8.360 nan 0.000 0.412 40 L N 4.189 125.420 121.223 0.014 0.000 2.317 40 L HA 0.490 4.830 4.340 0.000 0.000 0.281 40 L C -0.701 176.176 176.870 0.012 0.000 1.024 40 L CA -0.838 54.010 54.840 0.012 0.000 0.810 40 L CB 1.729 43.796 42.059 0.014 0.000 1.240 40 L HN 0.374 nan 8.230 nan 0.000 0.427 41 V N 2.195 122.115 119.914 0.010 0.000 2.709 41 V HA 0.639 4.759 4.120 0.000 0.000 0.308 41 V C -0.558 175.540 176.094 0.007 0.000 1.062 41 V CA -0.701 61.604 62.300 0.008 0.000 0.901 41 V CB 2.172 33.998 31.823 0.006 0.000 1.003 41 V HN 0.810 nan 8.190 nan 0.000 0.425 42 E N 3.306 123.509 120.200 0.006 0.000 2.331 42 E HA 0.691 5.041 4.350 0.000 0.000 0.275 42 E C -1.642 174.958 176.600 0.000 0.000 0.895 42 E CA -0.768 55.635 56.400 0.004 0.000 0.753 42 E CB 2.445 32.150 29.700 0.007 0.000 1.216 42 E HN 0.707 nan 8.360 nan 0.000 0.434 43 K N 1.137 121.534 120.400 -0.004 0.000 2.536 43 K HA 0.673 4.994 4.320 0.000 0.000 0.269 43 K C -1.423 175.168 176.600 -0.016 0.000 0.965 43 K CA -0.802 55.480 56.287 -0.009 0.000 0.860 43 K CB 2.120 34.614 32.500 -0.009 0.000 1.423 43 K HN 0.702 nan 8.250 nan 0.000 0.438 44 S N -0.895 114.790 115.700 -0.024 0.000 2.690 44 S HA 0.231 4.701 4.470 0.000 0.000 0.264 44 S C -0.897 173.673 174.600 -0.049 0.000 1.040 44 S CA -1.082 57.097 58.200 -0.034 0.000 0.869 44 S CB -0.077 63.102 63.200 -0.036 0.000 1.132 44 S HN 0.655 nan 8.310 nan 0.000 0.474 45 c N 1.219 119.782 118.600 -0.061 0.000 2.656 45 c HA 0.895 5.465 4.570 0.000 0.000 0.391 45 c C 1.048 175.054 174.090 -0.140 0.000 1.300 45 c CA 0.384 56.665 56.329 -0.079 0.000 2.302 45 c CB 0.746 43.214 42.510 -0.070 0.000 2.655 45 c HN 0.966 nan 8.230 nan 0.000 0.656 46 T N -0.304 114.149 114.554 -0.168 0.000 2.816 46 T HA 0.350 4.700 4.350 0.000 0.000 0.299 46 T C -0.899 173.630 174.700 -0.285 0.000 1.230 46 T CA -0.561 61.360 62.100 -0.298 0.000 1.007 46 T CB 0.687 69.456 68.868 -0.165 0.000 1.289 46 T HN 0.742 nan 8.240 nan 0.000 0.508 47 H N 1.583 120.656 119.070 0.006 0.000 2.790 47 H HA 0.148 4.704 4.556 0.000 0.000 0.358 47 H C 1.858 177.182 175.328 -0.007 0.000 1.103 47 H CA 0.667 56.716 56.048 0.003 0.000 1.426 47 H CB 0.967 30.737 29.762 0.013 0.000 1.424 47 H HN 0.741 nan 8.280 nan 0.000 0.599 48 S N 1.793 117.553 115.700 0.101 0.000 2.387 48 S HA -0.206 4.264 4.470 0.000 0.000 0.230 48 S C 1.074 175.688 174.600 0.023 0.000 1.035 48 S CA 1.516 59.733 58.200 0.029 0.000 1.014 48 S CB -0.216 62.976 63.200 -0.014 0.000 0.836 48 S HN 0.701 nan 8.310 nan 0.000 0.466 49 E N 0.869 121.093 120.200 0.040 0.000 2.403 49 E HA 0.182 4.532 4.350 0.000 0.000 0.188 49 E C -0.104 176.524 176.600 0.047 0.000 1.056 49 E CA -0.178 56.240 56.400 0.029 0.000 0.892 49 E CB 0.260 29.971 29.700 0.018 0.000 1.049 49 E HN 0.335 nan 8.360 nan 0.000 0.465 50 K N 1.270 121.705 120.400 0.059 0.000 2.138 50 K HA 0.245 4.565 4.320 0.000 0.000 0.251 50 K C 0.495 177.119 176.600 0.040 0.000 1.015 50 K CA 0.141 56.461 56.287 0.055 0.000 0.917 50 K CB 1.346 33.877 32.500 0.052 0.000 1.021 50 K HN 0.115 nan 8.250 nan 0.000 0.485 51 T N -1.816 112.765 114.554 0.044 0.000 2.816 51 T HA 0.328 4.678 4.350 0.000 0.000 0.299 51 T C -0.506 174.227 174.700 0.055 0.000 1.230 51 T CA -1.056 61.073 62.100 0.049 0.000 1.007 51 T CB 0.955 69.862 68.868 0.065 0.000 1.289 51 T HN 0.253 nan 8.240 nan 0.000 0.508 52 N N 2.043 120.777 118.700 0.058 0.000 2.468 52 N HA 0.411 5.151 4.740 0.000 0.000 0.265 52 N C -0.063 175.508 175.510 0.103 0.000 1.199 52 N CA -0.245 52.839 53.050 0.057 0.000 0.928 52 N CB 0.203 38.710 38.487 0.032 0.000 1.059 52 N HN 0.744 nan 8.380 nan 0.000 0.467 53 R N -0.544 120.010 120.500 0.091 0.000 2.643 53 R HA 0.655 4.996 4.340 0.000 0.000 0.269 53 R C -1.320 175.035 176.300 0.092 0.000 1.037 53 R CA -0.818 55.354 56.100 0.120 0.000 0.894 53 R CB 0.992 31.344 30.300 0.087 0.000 1.238 53 R HN 0.256 nan 8.270 nan 0.000 0.459 54 T N 1.888 116.509 114.554 0.111 0.000 2.906 54 T HA 0.673 5.023 4.350 0.000 0.000 0.295 54 T C -1.586 173.167 174.700 0.088 0.000 1.075 54 T CA -0.760 61.390 62.100 0.084 0.000 1.005 54 T CB 1.666 70.577 68.868 0.071 0.000 1.136 54 T HN 0.529 nan 8.240 nan 0.000 0.498 55 L N 1.483 122.757 121.223 0.085 0.000 2.676 55 L HA 0.724 5.064 4.340 0.000 0.000 0.262 55 L C -1.358 175.586 176.870 0.123 0.000 0.932 55 L CA -0.089 54.821 54.840 0.118 0.000 0.932 55 L CB 1.980 44.123 42.059 0.140 0.000 1.355 55 L HN 0.649 nan 8.230 nan 0.000 0.421 56 S N 3.750 119.526 115.700 0.125 0.000 2.538 56 S HA 0.924 5.394 4.470 0.000 0.000 0.288 56 S C -1.708 172.980 174.600 0.146 0.000 1.108 56 S CA -0.298 57.930 58.200 0.047 0.000 0.971 56 S CB 1.007 64.210 63.200 0.005 0.000 1.041 56 S HN 0.808 nan 8.310 nan 0.000 0.483 57 Y N 1.243 121.560 120.300 0.028 0.000 2.558 57 Y HA 0.687 5.237 4.550 0.000 0.000 0.333 57 Y C -0.886 175.042 175.900 0.047 0.000 1.125 57 Y CA -1.329 56.787 58.100 0.028 0.000 1.039 57 Y CB 0.717 39.188 38.460 0.018 0.000 1.331 57 Y HN 0.734 nan 8.280 nan 0.000 0.456 58 R N 0.535 121.144 120.500 0.181 0.000 2.407 58 R HA 0.688 5.028 4.340 0.000 0.000 0.303 58 R C -0.947 175.483 176.300 0.217 0.000 0.981 58 R CA -0.759 55.424 56.100 0.139 0.000 0.905 58 R CB 1.929 32.297 30.300 0.114 0.000 1.099 58 R HN 0.830 nan 8.270 nan 0.000 0.459 59 T N 2.212 116.883 114.554 0.195 0.000 3.514 59 T HA 0.438 4.788 4.350 0.000 0.000 0.259 59 T C 0.445 175.225 174.700 0.133 0.000 1.466 59 T CA 0.536 62.750 62.100 0.191 0.000 1.562 59 T CB -0.290 68.722 68.868 0.239 0.000 0.924 59 T HN 1.018 nan 8.240 nan 0.000 0.678 60 G N 2.428 111.303 108.800 0.124 0.000 3.050 60 G HA2 -0.184 3.776 3.960 0.000 0.000 0.234 60 G HA3 -0.184 3.776 3.960 0.000 0.000 0.234 60 G C 0.478 175.447 174.900 0.114 0.000 1.521 60 G CA 0.059 45.220 45.100 0.101 0.000 1.090 60 G HN 0.488 nan 8.290 nan 0.000 0.556 61 L N 1.313 122.594 121.223 0.097 0.000 2.354 61 L HA 0.307 4.647 4.340 0.000 0.000 0.212 61 L C 1.729 178.706 176.870 0.179 0.000 1.091 61 L CA 0.679 55.589 54.840 0.116 0.000 0.828 61 L CB -0.119 41.952 42.059 0.021 0.000 0.973 61 L HN 0.413 nan 8.230 nan 0.000 0.461 62 K N 1.228 121.699 120.400 0.118 0.000 2.138 62 K HA 0.380 4.700 4.320 0.000 0.000 0.251 62 K C -0.751 175.976 176.600 0.212 0.000 1.015 62 K CA -0.152 56.220 56.287 0.141 0.000 0.917 62 K CB 0.889 33.421 32.500 0.053 0.000 1.021 62 K HN -0.048 nan 8.250 nan 0.000 0.485 63 I N 2.057 122.758 120.570 0.219 0.000 2.534 63 I HA 0.119 4.289 4.170 0.000 0.000 0.286 63 I C -0.909 175.172 176.117 -0.059 0.000 1.094 63 I CA -0.623 60.725 61.300 0.079 0.000 1.055 63 I CB 2.287 40.359 38.000 0.120 0.000 1.225 63 I HN 0.510 nan 8.210 nan 0.000 0.435 64 T N 3.828 118.176 114.554 -0.343 0.000 2.767 64 T HA 0.394 4.744 4.350 0.000 0.000 0.284 64 T C -0.124 174.354 174.700 -0.370 0.000 0.973 64 T CA -0.507 61.346 62.100 -0.411 0.000 0.996 64 T CB 1.238 69.694 68.868 -0.688 0.000 0.927 64 T HN 0.451 nan 8.240 nan 0.000 0.456 65 S N 3.722 119.326 115.700 -0.160 0.000 2.667 65 S HA 0.447 4.917 4.470 0.000 0.000 0.304 65 S C -0.216 174.366 174.600 -0.030 0.000 1.135 65 S CA -0.743 57.407 58.200 -0.084 0.000 1.125 65 S CB 0.228 63.400 63.200 -0.047 0.000 0.996 65 S HN 0.481 nan 8.310 nan 0.000 0.474 66 L N 2.765 123.990 121.223 0.004 0.000 2.325 66 L HA 0.793 5.133 4.340 0.000 0.000 0.279 66 L C 0.461 177.354 176.870 0.037 0.000 1.054 66 L CA -0.398 54.464 54.840 0.036 0.000 0.804 66 L CB 1.591 43.696 42.059 0.077 0.000 1.200 66 L HN 0.610 nan 8.230 nan 0.000 0.436 67 T N 0.699 115.272 114.554 0.032 0.000 3.435 67 T HA 0.310 4.660 4.350 0.000 0.000 0.344 67 T C -1.359 173.357 174.700 0.028 0.000 1.211 67 T CA -0.698 61.420 62.100 0.031 0.000 1.104 67 T CB 1.655 70.535 68.868 0.019 0.000 1.196 67 T HN 0.756 nan 8.240 nan 0.000 0.471 68 E N 3.451 123.670 120.200 0.032 0.000 2.224 68 E HA 0.639 4.989 4.350 0.000 0.000 0.265 68 E C -0.675 175.939 176.600 0.024 0.000 0.878 68 E CA -0.948 55.468 56.400 0.027 0.000 0.759 68 E CB 1.760 31.479 29.700 0.031 0.000 1.164 68 E HN 0.751 nan 8.360 nan 0.000 0.414 69 V N 1.441 121.364 119.914 0.014 0.000 2.667 69 V HA 0.806 4.926 4.120 0.000 0.000 0.308 69 V C -0.531 175.567 176.094 0.006 0.000 1.048 69 V CA -0.601 61.705 62.300 0.010 0.000 0.928 69 V CB 1.565 33.390 31.823 0.003 0.000 1.004 69 V HN 0.456 nan 8.190 nan 0.000 0.444 70 V N 2.380 122.297 119.914 0.005 0.000 3.001 70 V HA 0.881 5.001 4.120 0.000 0.000 0.314 70 V C -0.131 175.962 176.094 -0.003 0.000 1.099 70 V CA -0.001 62.299 62.300 0.001 0.000 0.989 70 V CB 2.097 33.923 31.823 0.006 0.000 1.040 70 V HN 1.515 nan 8.190 nan 0.000 0.434 71 c N -0.089 118.507 118.600 -0.007 0.000 3.284 71 c HA 0.782 5.352 4.570 0.000 0.000 0.338 71 c C 0.460 174.544 174.090 -0.010 0.000 1.237 71 c CA -0.230 56.094 56.329 -0.008 0.000 1.276 71 c CB 1.135 43.640 42.510 -0.008 0.000 1.601 71 c HN 1.171 nan 8.230 nan 0.000 0.494 72 G N 0.722 109.516 108.800 -0.009 0.000 4.044 72 G HA2 0.521 4.481 3.960 0.000 0.000 0.297 72 G HA3 0.521 4.481 3.960 0.000 0.000 0.297 72 G C -0.423 174.471 174.900 -0.010 0.000 1.101 72 G CA -0.087 45.007 45.100 -0.011 0.000 0.884 72 G HN 0.705 nan 8.290 nan 0.000 0.538 73 L N -0.280 120.937 121.223 -0.010 0.000 2.342 73 L HA 0.381 4.721 4.340 0.000 0.000 0.271 73 L C -0.378 176.486 176.870 -0.010 0.000 1.008 73 L CA -1.146 53.689 54.840 -0.009 0.000 0.818 73 L CB 2.332 44.386 42.059 -0.008 0.000 1.296 73 L HN 0.037 nan 8.230 nan 0.000 0.427 74 D N 2.255 122.650 120.400 -0.009 0.000 2.581 74 D HA 0.030 4.670 4.640 0.000 0.000 0.238 74 D C 0.914 177.209 176.300 -0.009 0.000 1.145 74 D CA 0.438 54.432 54.000 -0.009 0.000 0.866 74 D CB 0.342 41.138 40.800 -0.008 0.000 1.151 74 D HN 0.492 nan 8.370 nan 0.000 0.500 75 L N 2.371 123.588 121.223 -0.010 0.000 4.312 75 L HA -0.414 3.926 4.340 0.000 0.000 0.427 75 L C 1.995 178.860 176.870 -0.009 0.000 1.149 75 L CA 0.451 55.285 54.840 -0.009 0.000 0.978 75 L CB -2.797 39.257 42.059 -0.008 0.000 1.963 75 L HN 0.720 nan 8.230 nan 0.000 0.970 76 c N -2.581 116.014 118.600 -0.009 0.000 2.409 76 c HA -0.112 4.458 4.570 0.000 0.000 0.288 76 c C 2.338 176.423 174.090 -0.009 0.000 1.395 76 c CA 0.847 57.171 56.329 -0.009 0.000 1.792 76 c CB -0.968 41.537 42.510 -0.009 0.000 1.847 76 c HN 0.736 nan 8.230 nan 0.000 0.534 77 N N 1.075 119.769 118.700 -0.010 0.000 2.223 77 N HA -0.175 4.565 4.740 0.000 0.000 0.185 77 N C 1.974 177.480 175.510 -0.008 0.000 1.016 77 N CA 1.560 54.604 53.050 -0.010 0.000 0.863 77 N CB -0.523 37.957 38.487 -0.012 0.000 0.983 77 N HN 0.798 nan 8.380 nan 0.000 0.429 78 Q N 0.082 119.877 119.800 -0.007 0.000 2.096 78 Q HA -0.043 4.297 4.340 0.000 0.000 0.204 78 Q C 0.653 176.650 176.000 -0.005 0.000 0.982 78 Q CA 1.102 56.902 55.803 -0.006 0.000 0.850 78 Q CB -0.456 28.279 28.738 -0.005 0.000 0.901 78 Q HN 0.282 nan 8.270 nan 0.000 0.422 79 G N 0.926 109.723 108.800 -0.005 0.000 2.630 79 G HA2 -0.020 3.940 3.960 0.000 0.000 0.236 79 G HA3 -0.020 3.940 3.960 0.000 0.000 0.236 79 G C -0.235 174.663 174.900 -0.004 0.000 1.248 79 G CA -0.538 44.559 45.100 -0.005 0.000 0.844 79 G HN 0.292 nan 8.290 nan 0.000 0.588 93 L N 3.144 124.423 121.223 0.095 0.000 2.290 93 L HA 0.434 4.774 4.340 0.000 0.000 0.284 93 L C 0.248 177.165 176.870 0.078 0.000 1.078 93 L CA -0.208 54.677 54.840 0.075 0.000 0.815 93 L CB 1.185 43.272 42.059 0.047 0.000 1.162 93 L HN 0.662 nan 8.230 nan 0.000 0.435 94 E N 4.268 124.510 120.200 0.071 0.000 2.227 94 E HA 0.340 4.690 4.350 0.000 0.000 0.282 94 E C -1.280 175.351 176.600 0.052 0.000 1.015 94 E CA -0.676 55.761 56.400 0.062 0.000 0.823 94 E CB 1.171 30.903 29.700 0.053 0.000 1.081 94 E HN 0.675 nan 8.360 nan 0.000 0.396 95 c N 3.656 122.287 118.600 0.051 0.000 3.028 95 c HA 0.572 5.142 4.570 0.000 0.000 0.338 95 c C -0.482 173.638 174.090 0.049 0.000 1.366 95 c CA -0.931 55.427 56.329 0.048 0.000 1.610 95 c CB 0.942 43.480 42.510 0.047 0.000 2.063 95 c HN 0.676 nan 8.230 nan 0.000 0.463 96 I N 1.535 122.132 120.570 0.045 0.000 2.498 96 I HA 0.562 4.732 4.170 0.000 0.000 0.301 96 I C 0.200 176.335 176.117 0.029 0.000 0.984 96 I CA 0.591 61.920 61.300 0.049 0.000 1.204 96 I CB 1.496 39.529 38.000 0.055 0.000 1.362 96 I HN 0.674 nan 8.210 nan 0.000 0.471 97 S N 4.497 120.220 115.700 0.039 0.000 2.540 97 S HA 0.837 5.307 4.470 0.000 0.000 0.275 97 S C -0.814 173.804 174.600 0.029 0.000 1.123 97 S CA -0.361 57.864 58.200 0.043 0.000 0.907 97 S CB 1.142 64.403 63.200 0.102 0.000 1.081 97 S HN 0.882 nan 8.310 nan 0.000 0.476 98 c N 1.240 119.836 118.600 -0.007 0.000 3.284 98 c HA 1.040 5.610 4.570 0.000 0.000 0.348 98 c C -0.068 174.011 174.090 -0.018 0.000 1.448 98 c CA -0.178 56.151 56.329 -0.000 0.000 1.223 98 c CB 0.684 43.116 42.510 -0.129 0.000 1.588 98 c HN 1.246 nan 8.230 nan 0.000 0.451 99 G N 0.004 108.811 108.800 0.012 0.000 2.720 99 G HA2 0.560 4.520 3.960 0.000 0.000 0.295 99 G HA3 0.560 4.520 3.960 0.000 0.000 0.295 99 G C -0.013 174.893 174.900 0.010 0.000 1.437 99 G CA 0.252 45.324 45.100 -0.047 0.000 0.886 99 G HN 1.008 nan 8.290 nan 0.000 0.509 100 S N -0.013 115.678 115.700 -0.015 0.000 2.436 100 S HA -0.093 4.377 4.470 0.000 0.000 0.228 100 S C 2.789 177.411 174.600 0.037 0.000 1.014 100 S CA 1.451 59.668 58.200 0.028 0.000 0.950 100 S CB -0.123 63.076 63.200 -0.002 0.000 0.784 100 S HN 1.032 nan 8.310 nan 0.000 0.504 101 S N 3.003 118.728 115.700 0.041 0.000 2.372 101 S HA -0.220 4.250 4.470 0.000 0.000 0.227 101 S C 1.263 175.900 174.600 0.061 0.000 1.044 101 S CA 1.670 59.906 58.200 0.060 0.000 1.050 101 S CB -0.564 62.693 63.200 0.096 0.000 0.901 101 S HN 0.705 nan 8.310 nan 0.000 0.447 102 D N -0.083 120.360 120.400 0.071 0.000 2.501 102 D HA 0.154 4.794 4.640 0.000 0.000 0.226 102 D C 0.420 176.757 176.300 0.063 0.000 1.198 102 D CA -0.254 53.785 54.000 0.065 0.000 0.830 102 D CB -0.188 40.656 40.800 0.072 0.000 1.014 102 D HN 0.193 nan 8.370 nan 0.000 0.496 103 M N 0.497 120.135 119.600 0.064 0.000 2.393 103 M HA -0.238 4.242 4.480 0.000 0.000 0.201 103 M C 1.172 177.518 176.300 0.077 0.000 0.403 103 M CA 0.451 55.791 55.300 0.067 0.000 0.471 103 M CB -2.819 29.814 32.600 0.056 0.000 1.669 103 M HN 0.272 nan 8.290 nan 0.000 0.864 104 S N -0.645 115.107 115.700 0.087 0.000 2.345 104 S HA -0.095 4.375 4.470 0.000 0.000 0.220 104 S C 1.693 176.392 174.600 0.165 0.000 1.031 104 S CA 1.557 59.826 58.200 0.115 0.000 0.996 104 S CB 0.135 63.402 63.200 0.112 0.000 0.882 104 S HN 0.765 nan 8.310 nan 0.000 0.445 105 c N 1.318 119.984 118.600 0.110 0.000 2.508 105 c HA 0.111 4.681 4.570 0.000 0.000 0.280 105 c C 2.549 176.732 174.090 0.154 0.000 1.262 105 c CA 0.764 57.160 56.329 0.110 0.000 1.706 105 c CB -1.597 40.885 42.510 -0.047 0.000 2.078 105 c HN 0.623 nan 8.230 nan 0.000 0.480 106 E N 0.496 120.738 120.200 0.070 0.000 2.333 106 E HA -0.167 4.183 4.350 0.000 0.000 0.200 106 E C 1.935 178.564 176.600 0.048 0.000 1.010 106 E CA 0.944 57.372 56.400 0.048 0.000 0.841 106 E CB -0.215 29.529 29.700 0.074 0.000 0.757 106 E HN 0.564 nan 8.360 nan 0.000 0.508 107 R N -1.057 119.481 120.500 0.063 0.000 2.432 107 R HA 0.197 4.537 4.340 0.000 0.000 0.260 107 R C 0.823 177.111 176.300 -0.018 0.000 0.935 107 R CA 0.436 56.553 56.100 0.027 0.000 1.080 107 R CB 0.660 30.981 30.300 0.034 0.000 1.155 107 R HN 0.207 nan 8.270 nan 0.000 0.531 108 G N 2.015 110.789 108.800 -0.044 0.000 2.187 108 G HA2 -0.354 3.606 3.960 0.000 0.000 0.261 108 G HA3 -0.354 3.606 3.960 0.000 0.000 0.261 108 G C 0.215 174.915 174.900 -0.334 0.000 1.000 108 G CA 0.159 45.039 45.100 -0.366 0.000 0.718 108 G HN 0.339 nan 8.290 nan 0.000 0.519 109 R N 0.735 121.214 120.500 -0.034 0.000 4.390 109 R HA 0.242 4.582 4.340 0.000 0.000 0.229 109 R C 0.169 176.575 176.300 0.177 0.000 1.674 109 R CA -0.293 55.828 56.100 0.035 0.000 1.526 109 R CB -0.039 30.298 30.300 0.061 0.000 1.418 109 R HN 0.673 nan 8.270 nan 0.000 0.790 110 H N 0.639 119.722 119.070 0.022 0.000 2.562 110 H HA 0.187 4.743 4.556 -0.000 0.000 0.352 110 H C 0.122 175.471 175.328 0.035 0.000 1.125 110 H CA -0.459 55.606 56.048 0.029 0.000 1.379 110 H CB 1.171 30.945 29.762 0.019 0.000 1.464 110 H HN 0.174 nan 8.280 nan 0.000 0.563 111 Q N 0.799 120.704 119.800 0.174 0.000 2.458 111 Q HA 0.330 4.670 4.340 0.000 0.000 0.282 111 Q C -0.815 175.240 176.000 0.091 0.000 1.106 111 Q CA -0.972 54.898 55.803 0.112 0.000 0.814 111 Q CB 2.685 31.483 28.738 0.099 0.000 1.425 111 Q HN 0.484 nan 8.270 nan 0.000 0.437 112 S N 1.088 116.829 115.700 0.069 0.000 2.537 112 S HA 0.550 5.020 4.470 0.000 0.000 0.275 112 S C -1.009 173.621 174.600 0.049 0.000 1.272 112 S CA -0.566 57.668 58.200 0.056 0.000 1.050 112 S CB 0.211 63.437 63.200 0.044 0.000 0.961 112 S HN 0.480 nan 8.310 nan 0.000 0.496 113 L N 4.967 126.219 121.223 0.049 0.000 2.438 113 L HA 0.492 4.832 4.340 0.000 0.000 0.270 113 L C -0.997 175.900 176.870 0.046 0.000 0.972 113 L CA -0.510 54.354 54.840 0.041 0.000 0.831 113 L CB 1.723 43.812 42.059 0.049 0.000 1.273 113 L HN 0.675 nan 8.230 nan 0.000 0.405 114 Q N 3.961 123.790 119.800 0.047 0.000 2.274 114 Q HA 0.323 4.663 4.340 0.000 0.000 0.256 114 Q C -0.550 175.497 176.000 0.078 0.000 0.927 114 Q CA -0.732 55.121 55.803 0.083 0.000 0.939 114 Q CB 1.939 30.750 28.738 0.121 0.000 1.201 114 Q HN 0.649 nan 8.270 nan 0.000 0.426 115 c N 1.930 120.566 118.600 0.061 0.000 2.689 115 c HA 0.123 4.693 4.570 0.000 0.000 0.409 115 c C 1.220 175.286 174.090 -0.041 0.000 1.293 115 c CA -0.208 56.129 56.329 0.013 0.000 2.136 115 c CB -0.287 42.227 42.510 0.006 0.000 2.719 115 c HN 0.835 nan 8.230 nan 0.000 0.644 116 R N 0.777 121.223 120.500 -0.091 0.000 2.748 116 R HA 0.302 4.642 4.340 0.000 0.000 0.395 116 R C -0.780 175.396 176.300 -0.207 0.000 1.128 116 R CA 0.138 56.125 56.100 -0.189 0.000 1.042 116 R CB 0.428 30.671 30.300 -0.095 0.000 1.392 116 R HN 0.711 nan 8.270 nan 0.000 0.582 117 S N 0.744 116.329 115.700 -0.193 0.000 2.605 117 S HA 0.157 4.627 4.470 0.000 0.000 0.279 117 S C -2.264 172.253 174.600 -0.137 0.000 1.166 117 S CA -0.825 57.283 58.200 -0.153 0.000 0.975 117 S CB 2.107 65.251 63.200 -0.095 0.000 1.111 117 S HN 0.065 nan 8.310 nan 0.000 0.465 118 P HA -0.066 nan 4.420 nan 0.000 0.234 118 P C 0.296 177.549 177.300 -0.079 0.000 1.162 118 P CA 1.033 64.072 63.100 -0.102 0.000 0.759 118 P CB 0.254 31.897 31.700 -0.094 0.000 0.813 119 E N -0.348 119.795 120.200 -0.095 0.000 2.364 119 E HA 0.051 4.401 4.350 0.000 0.000 0.196 119 E C 0.479 177.050 176.600 -0.047 0.000 0.990 119 E CA 0.165 56.489 56.400 -0.126 0.000 0.886 119 E CB -0.212 29.358 29.700 -0.215 0.000 0.866 119 E HN 0.438 nan 8.360 nan 0.000 0.493 120 E N 1.698 121.895 120.200 -0.004 0.000 2.344 120 E HA 0.102 4.452 4.350 0.000 0.000 0.270 120 E C -0.139 176.513 176.600 0.087 0.000 1.021 120 E CA 0.121 56.564 56.400 0.071 0.000 0.887 120 E CB 0.681 30.402 29.700 0.035 0.000 0.997 120 E HN 0.177 nan 8.360 nan 0.000 0.429 121 Q N 1.141 121.023 119.800 0.136 0.000 2.252 121 Q HA 0.382 4.722 4.340 0.000 0.000 0.256 121 Q C -0.729 175.312 176.000 0.068 0.000 1.020 121 Q CA -0.939 54.924 55.803 0.100 0.000 0.913 121 Q CB 1.623 30.433 28.738 0.119 0.000 1.286 121 Q HN 0.536 nan 8.270 nan 0.000 0.480 122 c N 1.735 120.366 118.600 0.052 0.000 2.514 122 c HA 0.444 5.014 4.570 0.000 0.000 0.392 122 c C -0.018 174.088 174.090 0.027 0.000 1.294 122 c CA -0.439 55.914 56.329 0.041 0.000 1.957 122 c CB -1.122 41.411 42.510 0.038 0.000 2.541 122 c HN 0.467 nan 8.230 nan 0.000 0.569 123 L N 3.162 124.397 121.223 0.020 0.000 2.341 123 L HA 0.623 4.963 4.340 0.000 0.000 0.267 123 L C -0.465 176.401 176.870 -0.008 0.000 1.009 123 L CA -0.217 54.623 54.840 -0.000 0.000 0.819 123 L CB 1.606 43.662 42.059 -0.004 0.000 1.323 123 L HN 0.544 nan 8.230 nan 0.000 0.425 124 D N 1.758 122.150 120.400 -0.014 0.000 2.479 124 D HA 0.328 4.968 4.640 0.000 0.000 0.246 124 D C -1.729 174.556 176.300 -0.026 0.000 1.336 124 D CA -0.067 53.925 54.000 -0.013 0.000 0.967 124 D CB 2.451 43.265 40.800 0.022 0.000 1.275 124 D HN 0.220 nan 8.370 nan 0.000 0.577 125 V N 4.059 123.932 119.914 -0.068 0.000 2.540 125 V HA 0.607 4.727 4.120 0.000 0.000 0.302 125 V C -1.148 174.856 176.094 -0.151 0.000 1.035 125 V CA -0.351 61.872 62.300 -0.128 0.000 0.873 125 V CB 1.823 33.567 31.823 -0.132 0.000 0.992 125 V HN 0.283 nan 8.190 nan 0.000 0.428 126 V N 5.640 125.411 119.914 -0.238 0.000 2.409 126 V HA 0.542 4.662 4.120 0.000 0.000 0.291 126 V C 0.075 175.934 176.094 -0.391 0.000 1.020 126 V CA -0.243 61.871 62.300 -0.310 0.000 0.848 126 V CB 1.959 33.623 31.823 -0.266 0.000 0.990 126 V HN 0.973 nan 8.190 nan 0.000 0.430 127 T N 4.517 118.848 114.554 -0.372 0.000 3.064 127 T HA 0.371 4.721 4.350 0.000 0.000 0.367 127 T C -0.553 174.001 174.700 -0.243 0.000 1.202 127 T CA -0.328 61.638 62.100 -0.223 0.000 1.133 127 T CB -0.226 68.557 68.868 -0.141 0.000 1.074 127 T HN 0.576 nan 8.240 nan 0.000 0.519 128 H N 1.927 120.969 119.070 -0.046 0.000 2.556 128 H HA 0.113 4.669 4.556 0.000 0.000 0.310 128 H C 0.386 175.828 175.328 0.190 0.000 1.057 128 H CA -0.897 55.211 56.048 0.100 0.000 1.264 128 H CB 0.694 30.579 29.762 0.206 0.000 1.404 128 H HN 0.756 nan 8.280 nan 0.000 0.462 141 D N 2.005 122.369 120.400 -0.061 0.000 2.472 141 D HA 0.046 4.686 4.640 0.000 0.000 0.248 141 D C 1.219 177.400 176.300 -0.198 0.000 1.174 141 D CA 0.381 54.315 54.000 -0.110 0.000 0.883 141 D CB 1.014 41.727 40.800 -0.146 0.000 1.149 141 D HN 0.204 nan 8.370 nan 0.000 0.488 142 R N 1.428 121.769 120.500 -0.266 0.000 2.096 142 R HA -0.075 4.265 4.340 0.000 0.000 0.235 142 R C 0.505 176.353 176.300 -0.753 0.000 1.127 142 R CA 0.950 56.705 56.100 -0.576 0.000 0.968 142 R CB 0.124 29.994 30.300 -0.717 0.000 0.861 142 R HN 0.538 nan 8.270 nan 0.000 0.440 143 H N -0.785 118.166 119.070 -0.198 0.000 2.667 143 H HA 0.361 4.917 4.556 -0.000 0.000 0.353 143 H C -1.212 173.984 175.328 -0.219 0.000 1.072 143 H CA -0.778 55.168 56.048 -0.171 0.000 1.214 143 H CB 1.903 31.603 29.762 -0.104 0.000 1.600 143 H HN -0.122 nan 8.280 nan 0.000 0.527 144 L N 2.891 124.034 121.223 -0.134 0.000 2.455 144 L HA 0.458 4.798 4.340 0.000 0.000 0.264 144 L C -0.538 176.225 176.870 -0.180 0.000 0.968 144 L CA -0.290 54.380 54.840 -0.283 0.000 0.827 144 L CB 1.955 43.775 42.059 -0.399 0.000 1.317 144 L HN 0.545 nan 8.230 nan 0.000 0.407 145 R N 1.766 122.169 120.500 -0.162 0.000 2.604 145 R HA 0.865 5.205 4.340 0.000 0.000 0.281 145 R C -0.495 175.814 176.300 0.015 0.000 1.020 145 R CA -0.550 55.504 56.100 -0.076 0.000 0.899 145 R CB 2.441 32.669 30.300 -0.121 0.000 1.205 145 R HN 0.841 nan 8.270 nan 0.000 0.450 146 G N 0.846 109.673 108.800 0.044 0.000 2.452 146 G HA2 0.176 4.136 3.960 0.000 0.000 0.224 146 G HA3 0.176 4.136 3.960 0.000 0.000 0.224 146 G C -1.316 173.629 174.900 0.075 0.000 1.208 146 G CA -0.499 44.657 45.100 0.093 0.000 0.946 146 G HN 0.600 nan 8.290 nan 0.000 0.481 147 c N 0.146 118.797 118.600 0.085 0.000 2.349 147 c HA 1.061 5.631 4.570 0.000 0.000 0.361 147 c C 0.973 175.110 174.090 0.078 0.000 1.189 147 c CA 1.036 57.406 56.329 0.068 0.000 2.155 147 c CB 0.570 43.110 42.510 0.050 0.000 2.336 147 c HN 2.165 nan 8.230 nan 0.000 0.540 148 G N 0.225 109.075 108.800 0.084 0.000 2.357 148 G HA2 0.351 4.311 3.960 0.000 0.000 0.289 148 G HA3 0.351 4.311 3.960 0.000 0.000 0.289 148 G C -2.134 172.870 174.900 0.173 0.000 1.302 148 G CA -0.510 44.654 45.100 0.108 0.000 0.936 148 G HN 0.777 nan 8.290 nan 0.000 0.513 149 Y N -0.269 120.038 120.300 0.012 0.000 2.358 149 Y HA 0.727 5.277 4.550 0.000 0.000 0.324 149 Y C -0.753 175.154 175.900 0.011 0.000 1.123 149 Y CA -0.808 57.297 58.100 0.008 0.000 1.067 149 Y CB 1.370 39.831 38.460 0.001 0.000 1.230 149 Y HN 0.673 nan 8.280 nan 0.000 0.429 150 L N 6.733 127.750 121.223 -0.343 0.000 2.303 150 L HA 0.675 5.015 4.340 0.000 0.000 0.256 150 L C -2.384 174.330 176.870 -0.260 0.000 1.034 150 L CA -2.441 52.288 54.840 -0.186 0.000 0.832 150 L CB 2.781 44.776 42.059 -0.107 0.000 1.403 150 L HN 0.454 nan 8.230 nan 0.000 0.419 151 P HA 0.048 nan 4.420 nan 0.000 0.267 151 P C 0.468 177.698 177.300 -0.116 0.000 1.205 151 P CA 0.623 63.670 63.100 -0.088 0.000 0.765 151 P CB 0.757 32.439 31.700 -0.031 0.000 0.828 152 G N 2.096 110.826 108.800 -0.118 0.000 2.149 152 G HA2 -0.301 3.659 3.960 0.000 0.000 0.235 152 G HA3 -0.301 3.659 3.960 0.000 0.000 0.235 152 G C 1.001 175.807 174.900 -0.157 0.000 1.018 152 G CA -0.031 45.008 45.100 -0.102 0.000 0.728 152 G HN 0.595 nan 8.290 nan 0.000 0.508 153 c N 0.454 118.884 118.600 -0.283 0.000 2.667 153 c HA 0.118 4.689 4.570 0.000 0.000 0.287 153 c C -0.802 173.185 174.090 -0.172 0.000 1.256 153 c CA 1.684 57.809 56.329 -0.339 0.000 1.738 153 c CB -0.845 41.183 42.510 -0.803 0.000 2.113 153 c HN 0.492 nan 8.230 nan 0.000 0.470 154 P HA 0.222 nan 4.420 nan 0.000 0.227 154 P C 0.216 177.504 177.300 -0.020 0.000 1.036 154 P CA 2.364 65.461 63.100 -0.006 0.000 1.080 154 P CB -0.772 30.953 31.700 0.042 0.000 1.046 155 G N 2.085 110.873 108.800 -0.020 0.000 2.460 155 G HA2 0.132 4.092 3.960 0.000 0.000 0.207 155 G HA3 0.132 4.092 3.960 0.000 0.000 0.207 155 G C -0.707 174.167 174.900 -0.043 0.000 1.170 155 G CA -0.043 45.047 45.100 -0.018 0.000 1.151 155 G HN 0.909 nan 8.290 nan 0.000 0.575 156 S N -0.466 115.193 115.700 -0.070 0.000 2.567 156 S HA 0.754 5.224 4.470 0.000 0.000 0.270 156 S C -1.086 173.363 174.600 -0.252 0.000 1.152 156 S CA 0.337 58.441 58.200 -0.159 0.000 0.835 156 S CB 1.906 65.056 63.200 -0.083 0.000 1.115 156 S HN 2.459 nan 8.310 nan 0.000 0.459 157 N N -0.507 117.907 118.700 -0.476 0.000 2.494 157 N HA 0.824 5.564 4.740 0.000 0.000 0.270 157 N C -0.593 174.485 175.510 -0.719 0.000 1.285 157 N CA -0.446 52.364 53.050 -0.401 0.000 0.812 157 N CB 1.347 39.751 38.487 -0.137 0.000 1.557 157 N HN 1.139 nan 8.380 nan 0.000 0.487 158 G N -0.985 107.645 108.800 -0.283 0.000 2.704 158 G HA2 0.657 4.617 3.960 0.000 0.000 0.293 158 G HA3 0.657 4.617 3.960 0.000 0.000 0.293 158 G C -2.257 172.872 174.900 0.381 0.000 1.421 158 G CA -0.808 44.306 45.100 0.024 0.000 0.870 158 G HN 0.643 nan 8.290 nan 0.000 0.492 159 F N 1.764 121.914 119.950 0.334 0.000 2.641 159 F HA 0.751 5.278 4.527 0.000 0.000 0.308 159 F C -1.261 174.801 175.800 0.436 0.000 1.105 159 F CA -0.702 57.464 58.000 0.275 0.000 0.964 159 F CB 2.155 41.193 39.000 0.064 0.000 1.294 159 F HN 0.862 nan 8.300 nan 0.000 0.442 160 H N 3.345 121.821 119.070 -0.991 0.000 3.085 160 H HA 0.529 5.084 4.556 -0.000 0.000 0.356 160 H C -1.999 172.848 175.328 -0.801 0.000 1.178 160 H CA -0.818 54.875 56.048 -0.592 0.000 1.214 160 H CB 1.756 31.437 29.762 -0.136 0.000 1.881 160 H HN 0.813 nan 8.280 nan 0.000 0.538 161 N N 1.505 119.983 118.700 -0.370 0.000 3.418 161 N HA 0.016 4.756 4.740 0.000 0.000 0.316 161 N C 0.401 175.886 175.510 -0.041 0.000 1.601 161 N CA -0.163 52.737 53.050 -0.250 0.000 0.805 161 N CB -0.319 38.114 38.487 -0.089 0.000 1.873 161 N HN 0.603 nan 8.380 nan 0.000 0.615 162 N N -1.097 117.603 118.700 -0.001 0.000 2.396 162 N HA -0.229 4.511 4.740 0.000 0.000 0.191 162 N C -0.407 175.155 175.510 0.086 0.000 1.015 162 N CA 2.146 55.286 53.050 0.150 0.000 0.893 162 N CB -0.453 38.260 38.487 0.377 0.000 0.956 162 N HN 0.760 nan 8.380 nan 0.000 0.445 163 D N -4.763 115.608 120.400 -0.048 0.000 2.755 163 D HA 0.120 4.760 4.640 0.000 0.000 0.293 163 D C -0.853 175.205 176.300 -0.403 0.000 1.642 163 D CA -0.430 53.362 54.000 -0.347 0.000 0.825 163 D CB -0.316 40.138 40.800 -0.576 0.000 1.303 163 D HN 0.019 nan 8.370 nan 0.000 0.434 164 T N 0.369 114.881 114.554 -0.069 0.000 2.923 164 T HA 0.547 4.897 4.350 0.000 0.000 0.311 164 T C -1.787 173.074 174.700 0.268 0.000 1.183 164 T CA -0.743 61.398 62.100 0.069 0.000 1.020 164 T CB 1.899 70.861 68.868 0.157 0.000 1.165 164 T HN 0.154 nan 8.240 nan 0.000 0.482 165 F N 3.648 123.681 119.950 0.139 0.000 2.730 165 F HA 0.464 4.991 4.527 0.000 0.000 0.335 165 F C -1.017 174.922 175.800 0.233 0.000 1.212 165 F CA -0.695 57.407 58.000 0.171 0.000 1.016 165 F CB 1.002 40.065 39.000 0.105 0.000 1.290 165 F HN 0.666 nan 8.300 nan 0.000 0.495 166 H N 6.662 125.645 119.070 -0.145 0.000 2.538 166 H HA 0.521 5.077 4.556 -0.000 0.000 0.353 166 H C -2.232 172.911 175.328 -0.308 0.000 1.109 166 H CA -0.623 55.234 56.048 -0.318 0.000 1.192 166 H CB 2.283 31.933 29.762 -0.188 0.000 1.555 166 H HN 0.731 nan 8.280 nan 0.000 0.518 167 F N 4.650 123.871 119.950 -1.216 0.000 2.615 167 F HA 0.421 4.948 4.527 -0.000 0.000 0.312 167 F C -1.887 173.486 175.800 -0.712 0.000 1.119 167 F CA -0.696 56.845 58.000 -0.765 0.000 0.979 167 F CB 1.599 40.317 39.000 -0.470 0.000 1.266 167 F HN 0.471 nan 8.300 nan 0.000 0.444 168 L N 6.050 126.888 121.223 -0.642 0.000 2.410 168 L HA 0.561 4.901 4.340 0.000 0.000 0.270 168 L C -1.575 175.165 176.870 -0.217 0.000 0.983 168 L CA -0.653 53.995 54.840 -0.319 0.000 0.822 168 L CB 1.836 43.761 42.059 -0.224 0.000 1.285 168 L HN 0.699 nan 8.230 nan 0.000 0.409 169 K N 4.540 124.915 120.400 -0.042 0.000 2.426 169 K HA 0.456 4.776 4.320 0.000 0.000 0.254 169 K C -1.810 174.782 176.600 -0.014 0.000 0.936 169 K CA -0.452 55.845 56.287 0.017 0.000 0.801 169 K CB 1.841 34.421 32.500 0.133 0.000 1.139 169 K HN 0.660 nan 8.250 nan 0.000 0.424 170 c N 6.055 124.638 118.600 -0.028 0.000 2.397 170 c HA 0.772 5.342 4.570 0.000 0.000 0.325 170 c C -0.711 173.379 174.090 0.001 0.000 1.201 170 c CA -0.315 55.996 56.329 -0.031 0.000 1.377 170 c CB -1.000 41.455 42.510 -0.092 0.000 2.038 170 c HN 0.951 nan 8.230 nan 0.000 0.457 171 c N 5.072 123.685 118.600 0.022 0.000 3.173 171 c HA 0.762 5.332 4.570 0.000 0.000 0.310 171 c C -0.412 173.705 174.090 0.044 0.000 1.306 171 c CA -0.560 55.790 56.329 0.035 0.000 1.426 171 c CB 1.818 44.350 42.510 0.036 0.000 1.800 171 c HN 0.856 nan 8.230 nan 0.000 0.470 172 N N 0.248 118.976 118.700 0.046 0.000 2.660 172 N HA 0.335 5.075 4.740 0.000 0.000 0.316 172 N C -0.523 175.011 175.510 0.041 0.000 1.774 172 N CA -0.096 52.983 53.050 0.048 0.000 0.946 172 N CB 0.449 38.969 38.487 0.054 0.000 1.322 172 N HN 1.057 nan 8.380 nan 0.000 0.492 173 T N -3.304 111.274 114.554 0.039 0.000 2.912 173 T HA 0.386 4.736 4.350 0.000 0.000 0.299 173 T C -0.223 174.500 174.700 0.037 0.000 1.052 173 T CA -0.496 61.626 62.100 0.036 0.000 0.996 173 T CB 1.132 70.019 68.868 0.032 0.000 1.070 173 T HN 0.069 nan 8.240 nan 0.000 0.465 174 T N 3.613 118.189 114.554 0.037 0.000 2.718 174 T HA 0.034 4.384 4.350 0.000 0.000 0.265 174 T C 0.596 175.318 174.700 0.037 0.000 1.014 174 T CA 0.523 62.645 62.100 0.038 0.000 1.172 174 T CB -0.443 68.445 68.868 0.034 0.000 1.007 174 T HN 0.867 nan 8.240 nan 0.000 0.500 175 K N 0.112 120.536 120.400 0.040 0.000 3.003 175 K HA -0.254 4.066 4.320 0.000 0.000 0.257 175 K C 1.509 178.133 176.600 0.040 0.000 0.958 175 K CA 0.668 56.980 56.287 0.042 0.000 0.707 175 K CB -2.456 30.070 32.500 0.042 0.000 1.279 175 K HN 0.955 nan 8.250 nan 0.000 0.479 176 c N -1.374 117.249 118.600 0.038 0.000 2.472 176 c HA -0.039 4.531 4.570 0.000 0.000 0.278 176 c C 1.480 175.593 174.090 0.038 0.000 1.447 176 c CA 0.554 56.905 56.329 0.037 0.000 1.773 176 c CB -1.394 41.139 42.510 0.037 0.000 1.793 176 c HN 0.687 nan 8.230 nan 0.000 0.544 177 N N 1.410 120.131 118.700 0.036 0.000 2.295 177 N HA 0.068 4.808 4.740 0.000 0.000 0.221 177 N C 0.381 175.907 175.510 0.027 0.000 1.129 177 N CA -0.345 52.722 53.050 0.029 0.000 0.836 177 N CB 0.020 38.518 38.487 0.019 0.000 1.040 177 N HN 0.842 nan 8.380 nan 0.000 0.494 178 E N 0.564 120.791 120.200 0.045 0.000 2.385 178 E HA 0.558 4.908 4.350 0.000 0.000 0.254 178 E C 0.493 177.136 176.600 0.072 0.000 1.228 178 E CA -0.467 55.976 56.400 0.072 0.000 0.956 178 E CB 1.069 30.814 29.700 0.075 0.000 1.116 178 E HN 0.157 nan 8.360 nan 0.000 0.507 179 G N 0.033 108.896 108.800 0.106 0.000 2.434 179 G HA2 -0.064 3.896 3.960 0.000 0.000 0.671 179 G HA3 -0.064 3.896 3.960 0.000 0.000 0.671 179 G C -2.803 172.159 174.900 0.103 0.000 1.280 179 G CA -0.634 44.511 45.100 0.075 0.000 0.975 179 G HN 0.584 nan 8.290 nan 0.000 0.510 180 P HA 0.439 nan 4.420 nan 0.000 0.271 180 P C 0.677 177.990 177.300 0.020 0.000 1.218 180 P CA -0.356 62.766 63.100 0.037 0.000 0.780 180 P CB 0.396 32.093 31.700 -0.004 0.000 0.901 181 I N 0.083 120.647 120.570 -0.010 0.000 2.692 181 I HA 0.173 4.343 4.170 0.000 0.000 0.284 181 I C -0.049 176.015 176.117 -0.089 0.000 1.159 181 I CA -0.428 60.800 61.300 -0.120 0.000 1.423 181 I CB 0.252 38.032 38.000 -0.366 0.000 1.380 181 I HN 0.203 nan 8.210 nan 0.000 0.580 182 L N 5.734 126.941 121.223 -0.028 0.000 2.361 182 L HA 0.309 4.649 4.340 0.000 0.000 0.278 182 L C -0.224 176.764 176.870 0.197 0.000 1.113 182 L CA 0.044 54.900 54.840 0.026 0.000 0.849 182 L CB 0.213 42.246 42.059 -0.043 0.000 1.155 182 L HN 0.709 nan 8.230 nan 0.000 0.452 183 E N 4.021 124.280 120.200 0.098 0.000 2.227 183 E HA 0.099 4.449 4.350 0.000 0.000 0.268 183 E C 0.371 176.885 176.600 -0.144 0.000 0.907 183 E CA -0.667 55.797 56.400 0.106 0.000 0.786 183 E CB 2.233 31.945 29.700 0.020 0.000 1.191 183 E HN 0.544 nan 8.360 nan 0.000 0.411 184 L N 2.099 123.070 121.223 -0.420 0.000 2.131 184 L HA -0.153 4.187 4.340 0.000 0.000 0.210 184 L C 1.338 177.912 176.870 -0.493 0.000 1.092 184 L CA 1.939 56.252 54.840 -0.878 0.000 0.759 184 L CB -0.139 41.234 42.059 -1.143 0.000 0.903 184 L HN 0.413 nan 8.230 nan 0.000 0.435 185 E N -0.450 119.566 120.200 -0.307 0.000 2.338 185 E HA -0.071 4.279 4.350 0.000 0.000 0.197 185 E C 1.300 177.798 176.600 -0.171 0.000 1.007 185 E CA 0.557 56.832 56.400 -0.208 0.000 0.849 185 E CB -0.309 29.307 29.700 -0.139 0.000 0.774 185 E HN 0.459 nan 8.360 nan 0.000 0.506 186 N N -0.089 118.507 118.700 -0.174 0.000 2.270 186 N HA 0.098 4.838 4.740 0.000 0.000 0.198 186 N C -0.546 174.873 175.510 -0.151 0.000 1.117 186 N CA 0.162 53.131 53.050 -0.134 0.000 0.845 186 N CB 0.528 38.954 38.487 -0.102 0.000 0.980 186 N HN 0.156 nan 8.380 nan 0.000 0.486 187 L N 2.569 123.667 121.223 -0.208 0.000 2.313 187 L HA 0.428 4.768 4.340 0.000 0.000 0.283 187 L C -2.144 174.624 176.870 -0.170 0.000 1.013 187 L CA -1.765 52.956 54.840 -0.199 0.000 0.816 187 L CB 2.107 43.998 42.059 -0.280 0.000 1.236 187 L HN -0.185 nan 8.230 nan 0.000 0.419 188 P HA 0.105 nan 4.420 nan 0.000 0.275 188 P C -1.170 176.083 177.300 -0.079 0.000 1.228 188 P CA -0.604 62.443 63.100 -0.088 0.000 0.786 188 P CB 0.919 32.583 31.700 -0.060 0.000 0.927 189 Q N 1.946 121.704 119.800 -0.069 0.000 2.300 189 Q HA 0.015 4.355 4.340 0.000 0.000 0.280 189 Q C 1.149 177.130 176.000 -0.032 0.000 1.033 189 Q CA 0.512 56.286 55.803 -0.048 0.000 0.903 189 Q CB -0.050 28.663 28.738 -0.041 0.000 1.195 189 Q HN 0.464 nan 8.270 nan 0.000 0.386 190 N N 1.132 119.821 118.700 -0.018 0.000 2.325 190 N HA 0.141 4.881 4.740 0.000 0.000 0.182 190 N C 0.854 176.356 175.510 -0.013 0.000 1.088 190 N CA 0.513 53.556 53.050 -0.011 0.000 0.879 190 N CB 0.812 39.300 38.487 0.002 0.000 0.983 190 N HN 0.668 nan 8.380 nan 0.000 0.471 191 G N -0.207 108.581 108.800 -0.019 0.000 2.307 191 G HA2 -0.284 3.676 3.960 0.000 0.000 0.210 191 G HA3 -0.284 3.676 3.960 0.000 0.000 0.210 191 G C 0.140 175.022 174.900 -0.030 0.000 1.005 191 G CA -0.113 44.974 45.100 -0.023 0.000 0.634 191 G HN 0.575 nan 8.290 nan 0.000 0.496 192 R N 1.750 122.233 120.500 -0.028 0.000 2.537 192 R HA 0.596 4.936 4.340 0.000 0.000 0.280 192 R C -0.015 176.244 176.300 -0.068 0.000 1.058 192 R CA 0.498 56.575 56.100 -0.039 0.000 1.057 192 R CB 0.224 30.509 30.300 -0.026 0.000 0.973 192 R HN 0.435 nan 8.270 nan 0.000 0.438 193 Q N 3.262 123.004 119.800 -0.097 0.000 2.330 193 Q HA 0.469 4.809 4.340 0.000 0.000 0.269 193 Q C -1.269 174.604 176.000 -0.212 0.000 1.022 193 Q CA -0.814 54.893 55.803 -0.160 0.000 0.796 193 Q CB 2.083 30.718 28.738 -0.171 0.000 1.271 193 Q HN 0.652 nan 8.270 nan 0.000 0.450 194 c N 1.649 120.088 118.600 -0.268 0.000 2.802 194 c HA 0.507 5.077 4.570 0.000 0.000 0.307 194 c C -0.846 173.017 174.090 -0.380 0.000 1.222 194 c CA -1.010 55.166 56.329 -0.256 0.000 1.580 194 c CB 0.859 43.272 42.510 -0.162 0.000 2.119 194 c HN 0.739 nan 8.230 nan 0.000 0.479 195 Y N 1.057 121.288 120.300 -0.115 0.000 2.346 195 Y HA 0.429 4.979 4.550 0.000 0.000 0.330 195 Y C 0.930 176.700 175.900 -0.217 0.000 1.178 195 Y CA 0.741 58.750 58.100 -0.151 0.000 1.331 195 Y CB 0.949 39.398 38.460 -0.019 0.000 1.253 195 Y HN 0.659 nan 8.280 nan 0.000 0.529 196 S N 2.295 117.865 115.700 -0.216 0.000 2.532 196 S HA 0.878 5.348 4.470 0.000 0.000 0.301 196 S C -0.905 173.658 174.600 -0.061 0.000 1.083 196 S CA -0.230 57.832 58.200 -0.230 0.000 1.025 196 S CB 0.324 63.230 63.200 -0.491 0.000 1.056 196 S HN 0.988 nan 8.310 nan 0.000 0.494 197 c N 2.078 120.691 118.600 0.023 0.000 3.037 197 c HA 0.823 5.393 4.570 0.000 0.000 0.335 197 c C -2.180 171.921 174.090 0.018 0.000 1.333 197 c CA -1.121 55.247 56.329 0.065 0.000 1.211 197 c CB 0.307 42.841 42.510 0.040 0.000 1.377 197 c HN 1.186 nan 8.230 nan 0.000 0.451 198 K N 1.549 121.952 120.400 0.005 0.000 2.572 198 K HA 0.798 5.118 4.320 0.000 0.000 0.263 198 K C -0.035 176.553 176.600 -0.019 0.000 0.932 198 K CA 0.131 56.368 56.287 -0.083 0.000 0.838 198 K CB 1.311 33.824 32.500 0.022 0.000 1.366 198 K HN 2.881 nan 8.250 nan 0.000 0.425 199 G N 1.586 110.314 108.800 -0.119 0.000 2.254 199 G HA2 -0.102 3.858 3.960 0.000 0.000 0.193 199 G HA3 -0.102 3.858 3.960 0.000 0.000 0.193 199 G C -1.377 173.579 174.900 0.094 0.000 1.233 199 G CA -0.488 44.704 45.100 0.153 0.000 1.290 199 G HN 0.662 nan 8.290 nan 0.000 0.517 200 N N 0.349 119.115 118.700 0.109 0.000 2.525 200 N HA 0.502 5.242 4.740 0.000 0.000 0.288 200 N C 1.467 176.984 175.510 0.012 0.000 1.242 200 N CA 0.194 53.292 53.050 0.080 0.000 0.905 200 N CB 1.701 40.273 38.487 0.141 0.000 1.258 200 N HN 0.796 nan 8.380 nan 0.000 0.551 201 S N -1.583 114.108 115.700 -0.014 0.000 2.481 201 S HA -0.113 4.357 4.470 0.000 0.000 0.231 201 S C 1.555 176.113 174.600 -0.070 0.000 0.996 201 S CA 1.427 59.593 58.200 -0.058 0.000 0.942 201 S CB -0.494 62.668 63.200 -0.064 0.000 0.768 201 S HN 0.759 nan 8.310 nan 0.000 0.520 202 T N -2.131 112.393 114.554 -0.051 0.000 3.023 202 T HA 0.183 4.533 4.350 0.000 0.000 0.249 202 T C 0.445 174.919 174.700 -0.376 0.000 1.050 202 T CA 0.025 62.022 62.100 -0.172 0.000 1.088 202 T CB -0.260 68.540 68.868 -0.114 0.000 0.946 202 T HN 0.493 nan 8.240 nan 0.000 0.480 203 H N 0.440 119.517 119.070 0.011 0.000 2.791 203 H HA 0.522 5.078 4.556 0.000 0.000 0.272 203 H C 0.936 176.287 175.328 0.039 0.000 1.188 203 H CA 0.115 56.179 56.048 0.027 0.000 1.436 203 H CB 1.019 30.801 29.762 0.034 0.000 1.467 203 H HN 0.531 nan 8.280 nan 0.000 0.500 204 G N 1.102 109.953 108.800 0.086 0.000 2.796 204 G HA2 -0.232 3.728 3.960 0.000 0.000 0.198 204 G HA3 -0.232 3.728 3.960 0.000 0.000 0.198 204 G C 0.520 175.443 174.900 0.038 0.000 1.062 204 G CA -0.012 45.138 45.100 0.083 0.000 0.752 204 G HN 0.535 nan 8.290 nan 0.000 0.487 205 c N 2.930 121.525 118.600 -0.009 0.000 2.534 205 c HA 0.788 5.358 4.570 0.000 0.000 0.285 205 c C 0.994 175.030 174.090 -0.089 0.000 1.505 205 c CA -0.011 56.288 56.329 -0.050 0.000 1.715 205 c CB -0.839 41.619 42.510 -0.086 0.000 2.935 205 c HN 0.617 nan 8.230 nan 0.000 0.540 206 S N -0.035 115.623 115.700 -0.070 0.000 2.672 206 S HA 0.284 4.754 4.470 0.000 0.000 0.276 206 S C 1.331 175.878 174.600 -0.088 0.000 1.207 206 S CA -0.238 57.904 58.200 -0.096 0.000 1.002 206 S CB 1.116 64.263 63.200 -0.088 0.000 0.998 206 S HN 0.493 nan 8.310 nan 0.000 0.542 207 S N 1.623 117.266 115.700 -0.095 0.000 2.440 207 S HA -0.080 4.390 4.470 0.000 0.000 0.238 207 S C 1.041 175.676 174.600 0.058 0.000 1.010 207 S CA 1.423 59.610 58.200 -0.022 0.000 0.972 207 S CB -0.368 62.854 63.200 0.036 0.000 0.774 207 S HN 0.744 nan 8.310 nan 0.000 0.501 208 E N 0.650 120.867 120.200 0.029 0.000 2.474 208 E HA 0.073 4.423 4.350 0.000 0.000 0.195 208 E C 1.459 178.099 176.600 0.066 0.000 1.039 208 E CA 0.264 56.692 56.400 0.046 0.000 0.881 208 E CB 0.137 29.848 29.700 0.019 0.000 0.970 208 E HN 0.584 nan 8.360 nan 0.000 0.486 209 E N -0.294 119.952 120.200 0.075 0.000 2.399 209 E HA 0.063 4.413 4.350 0.000 0.000 0.205 209 E C 0.498 177.236 176.600 0.231 0.000 0.906 209 E CA 0.177 56.645 56.400 0.113 0.000 0.998 209 E CB 0.479 30.225 29.700 0.075 0.000 1.002 209 E HN -0.071 nan 8.360 nan 0.000 0.501 210 T N 1.017 115.692 114.554 0.202 0.000 2.869 210 T HA 0.398 4.748 4.350 0.000 0.000 0.295 210 T C -0.750 174.248 174.700 0.497 0.000 0.987 210 T CA -0.443 61.824 62.100 0.278 0.000 1.109 210 T CB 0.144 69.057 68.868 0.075 0.000 0.932 210 T HN 0.133 nan 8.240 nan 0.000 0.518 211 F N 3.416 123.568 119.950 0.336 0.000 2.662 211 F HA 0.680 5.207 4.527 0.000 0.000 0.312 211 F C -1.521 174.363 175.800 0.140 0.000 1.113 211 F CA -1.734 56.463 58.000 0.329 0.000 0.951 211 F CB 0.717 39.807 39.000 0.150 0.000 1.344 211 F HN 0.177 nan 8.300 nan 0.000 0.462 212 L N 3.542 124.655 121.223 -0.184 0.000 2.426 212 L HA 0.446 4.786 4.340 0.000 0.000 0.271 212 L C 0.247 176.913 176.870 -0.340 0.000 1.169 212 L CA -0.380 54.173 54.840 -0.478 0.000 0.836 212 L CB 0.470 42.301 42.059 -0.379 0.000 1.112 212 L HN 0.772 nan 8.230 nan 0.000 0.465 213 I N -1.163 119.186 120.570 -0.368 0.000 3.042 213 I HA 0.540 4.710 4.170 0.000 0.000 0.310 213 I C -0.797 175.229 176.117 -0.152 0.000 1.117 213 I CA -0.971 60.199 61.300 -0.217 0.000 1.003 213 I CB 2.565 40.405 38.000 -0.267 0.000 1.228 213 I HN 0.275 nan 8.210 nan 0.000 0.443 214 D N 3.181 123.545 120.400 -0.059 0.000 2.317 214 D HA 0.290 4.930 4.640 0.000 0.000 0.234 214 D C -0.493 175.831 176.300 0.039 0.000 1.112 214 D CA -0.078 53.902 54.000 -0.034 0.000 0.840 214 D CB 1.544 42.332 40.800 -0.020 0.000 1.078 214 D HN 0.531 nan 8.370 nan 0.000 0.486 215 c N 2.733 121.334 118.600 0.003 0.000 2.676 215 c HA 0.239 4.809 4.570 0.000 0.000 0.416 215 c C 1.128 175.290 174.090 0.119 0.000 1.299 215 c CA -0.393 55.987 56.329 0.085 0.000 2.048 215 c CB -0.232 42.274 42.510 -0.007 0.000 2.713 215 c HN 0.389 nan 8.230 nan 0.000 0.624 216 R N 1.108 121.725 120.500 0.195 0.000 2.740 216 R HA 0.586 4.926 4.340 0.000 0.000 0.282 216 R C 0.883 177.176 176.300 -0.011 0.000 0.969 216 R CA 0.399 56.477 56.100 -0.038 0.000 0.918 216 R CB 1.480 31.601 30.300 -0.299 0.000 1.175 216 R HN 1.056 nan 8.270 nan 0.000 0.464 217 G N 2.978 111.754 108.800 -0.039 0.000 2.651 217 G HA2 -0.313 3.647 3.960 0.000 0.000 0.315 217 G HA3 -0.313 3.647 3.960 0.000 0.000 0.315 217 G C -1.221 173.709 174.900 0.050 0.000 1.258 217 G CA 0.273 45.367 45.100 -0.010 0.000 1.002 217 G HN 0.579 nan 8.290 nan 0.000 0.551 218 P HA 0.108 nan 4.420 nan 0.000 0.236 218 P C 0.872 178.260 177.300 0.147 0.000 1.177 218 P CA 0.801 63.980 63.100 0.132 0.000 0.773 218 P CB 0.085 31.898 31.700 0.189 0.000 0.878 219 M N 1.584 121.289 119.600 0.176 0.000 2.497 219 M HA 0.126 4.606 4.480 0.000 0.000 0.336 219 M C 0.316 176.676 176.300 0.099 0.000 1.378 219 M CA -0.001 55.402 55.300 0.171 0.000 1.375 219 M CB -0.272 32.486 32.600 0.263 0.000 1.337 219 M HN -0.092 nan 8.290 nan 0.000 0.461 220 N N -0.210 118.532 118.700 0.069 0.000 2.194 220 N HA 0.061 4.801 4.740 0.000 0.000 0.231 220 N C -0.563 174.962 175.510 0.025 0.000 1.247 220 N CA -0.380 52.690 53.050 0.034 0.000 0.884 220 N CB 0.610 39.115 38.487 0.031 0.000 1.146 220 N HN 0.356 nan 8.380 nan 0.000 0.516 221 Q N 0.551 120.375 119.800 0.041 0.000 2.274 221 Q HA 0.258 4.598 4.340 0.000 0.000 0.256 221 Q C -0.640 175.378 176.000 0.031 0.000 0.927 221 Q CA -0.315 55.512 55.803 0.041 0.000 0.939 221 Q CB 1.726 30.502 28.738 0.064 0.000 1.201 221 Q HN 0.275 nan 8.270 nan 0.000 0.426 222 c N 4.428 123.039 118.600 0.018 0.000 2.442 222 c HA 0.390 4.960 4.570 0.000 0.000 0.362 222 c C 0.675 174.788 174.090 0.039 0.000 1.242 222 c CA -0.557 55.780 56.329 0.013 0.000 1.741 222 c CB -1.175 41.343 42.510 0.014 0.000 2.378 222 c HN 0.664 nan 8.230 nan 0.000 0.549 223 L N 4.893 126.161 121.223 0.075 0.000 2.334 223 L HA 0.899 5.239 4.340 0.000 0.000 0.270 223 L C -0.951 175.931 176.870 0.019 0.000 1.018 223 L CA -0.263 54.617 54.840 0.068 0.000 0.811 223 L CB 1.479 43.631 42.059 0.154 0.000 1.271 223 L HN 0.394 nan 8.230 nan 0.000 0.443 224 V N 3.326 123.196 119.914 -0.073 0.000 2.567 224 V HA 0.681 4.801 4.120 0.000 0.000 0.298 224 V C -0.451 175.496 176.094 -0.246 0.000 1.047 224 V CA -0.394 61.825 62.300 -0.136 0.000 0.880 224 V CB 1.419 33.177 31.823 -0.109 0.000 1.009 224 V HN 0.875 nan 8.190 nan 0.000 0.429 225 A N 3.214 125.810 122.820 -0.373 0.000 2.319 225 A HA 0.861 5.181 4.320 0.000 0.000 0.310 225 A C -0.135 177.209 177.584 -0.399 0.000 1.152 225 A CA -0.452 51.283 52.037 -0.504 0.000 0.783 225 A CB 1.240 19.657 19.000 -0.971 0.000 1.184 225 A HN 0.672 nan 8.150 nan 0.000 0.474 226 T N 1.464 115.831 114.554 -0.312 0.000 2.829 226 T HA 0.800 5.150 4.350 0.000 0.000 0.280 226 T C 0.579 175.137 174.700 -0.235 0.000 0.999 226 T CA 0.292 62.248 62.100 -0.239 0.000 0.983 226 T CB 1.767 70.520 68.868 -0.191 0.000 0.968 226 T HN 1.368 nan 8.240 nan 0.000 0.446 227 G N 1.527 110.239 108.800 -0.146 0.000 2.704 227 G HA2 0.615 4.575 3.960 0.000 0.000 0.118 227 G HA3 0.615 4.575 3.960 0.000 0.000 0.118 227 G C -1.041 173.850 174.900 -0.015 0.000 1.197 227 G CA -0.215 44.805 45.100 -0.133 0.000 1.152 227 G HN 0.918 nan 8.290 nan 0.000 0.571 228 T N -2.529 112.031 114.554 0.009 0.000 2.921 228 T HA 0.744 5.094 4.350 0.000 0.000 0.297 228 T C -0.730 173.994 174.700 0.040 0.000 1.013 228 T CA -0.420 61.700 62.100 0.032 0.000 0.990 228 T CB 2.076 70.939 68.868 -0.008 0.000 1.023 228 T HN 0.853 nan 8.240 nan 0.000 0.447 229 H N 1.363 120.352 119.070 -0.135 0.000 3.690 229 H HA 0.545 5.101 4.556 0.000 0.000 0.330 229 H C 0.007 175.204 175.328 -0.219 0.000 1.693 229 H CA -0.574 55.307 56.048 -0.279 0.000 1.349 229 H CB 1.253 30.547 29.762 -0.779 0.000 1.539 229 H HN 0.916 nan 8.280 nan 0.000 0.757 230 E N -1.057 118.793 120.200 -0.582 0.000 4.479 230 E HA -0.244 4.106 4.350 0.000 0.000 0.204 230 E C -1.913 174.591 176.600 -0.159 0.000 1.503 230 E CA 0.485 56.613 56.400 -0.453 0.000 2.489 230 E CB -1.249 28.240 29.700 -0.351 0.000 2.112 230 E HN 0.550 nan 8.360 nan 0.000 0.447 231 P HA -0.098 nan 4.420 nan 0.000 0.212 231 P C 0.202 177.499 177.300 -0.004 0.000 1.180 231 P CA 1.564 64.642 63.100 -0.036 0.000 0.902 231 P CB 0.095 31.773 31.700 -0.037 0.000 0.778 232 K N -0.249 120.141 120.400 -0.016 0.000 2.829 232 K HA 0.130 4.450 4.320 0.000 0.000 0.302 232 K C 0.731 177.334 176.600 0.005 0.000 1.028 232 K CA -0.273 56.017 56.287 0.004 0.000 1.054 232 K CB -0.291 32.206 32.500 -0.003 0.000 1.279 232 K HN -0.183 nan 8.250 nan 0.000 0.485 233 N N 1.263 119.970 118.700 0.012 0.000 2.623 233 N HA 0.012 4.752 4.740 0.000 0.000 0.263 233 N C -1.060 174.456 175.510 0.009 0.000 1.218 233 N CA 0.070 53.129 53.050 0.014 0.000 0.949 233 N CB -0.093 38.408 38.487 0.024 0.000 1.270 233 N HN 0.257 nan 8.380 nan 0.000 0.507 234 Q N 0.355 120.154 119.800 -0.003 0.000 2.274 234 Q HA 0.047 4.387 4.340 0.000 0.000 0.280 234 Q C 0.087 176.113 176.000 0.044 0.000 1.047 234 Q CA 0.037 55.843 55.803 0.005 0.000 0.907 234 Q CB 0.276 28.996 28.738 -0.031 0.000 1.171 234 Q HN 0.350 nan 8.270 nan 0.000 0.381 235 S N 2.920 118.653 115.700 0.055 0.000 2.525 235 S HA 0.202 4.672 4.470 0.000 0.000 0.285 235 S C -0.734 173.968 174.600 0.169 0.000 1.283 235 S CA -0.591 57.651 58.200 0.071 0.000 1.072 235 S CB 0.261 63.483 63.200 0.037 0.000 0.867 235 S HN 0.598 nan 8.310 nan 0.000 0.492 236 Y N 2.773 123.059 120.300 -0.024 0.000 2.630 236 Y HA 0.726 5.277 4.550 0.000 0.000 0.337 236 Y C -0.266 175.596 175.900 -0.062 0.000 1.051 236 Y CA -1.683 56.412 58.100 -0.009 0.000 1.121 236 Y CB 2.061 40.539 38.460 0.030 0.000 1.299 236 Y HN 0.830 nan 8.280 nan 0.000 0.498 237 M N 3.624 122.902 119.600 -0.535 0.000 2.490 237 M HA 0.585 5.065 4.480 0.000 0.000 0.286 237 M C -2.558 173.374 176.300 -0.614 0.000 1.185 237 M CA -0.534 54.495 55.300 -0.453 0.000 0.912 237 M CB 2.008 34.459 32.600 -0.248 0.000 1.744 237 M HN 0.405 nan 8.290 nan 0.000 0.494 238 V N 3.332 122.983 119.914 -0.438 0.000 2.932 238 V HA 0.695 4.815 4.120 0.000 0.000 0.307 238 V C -1.085 174.918 176.094 -0.152 0.000 1.147 238 V CA -0.788 61.332 62.300 -0.299 0.000 0.951 238 V CB 2.531 34.177 31.823 -0.294 0.000 1.031 238 V HN 0.926 nan 8.190 nan 0.000 0.426 239 R N 1.327 121.834 120.500 0.012 0.000 2.744 239 R HA 0.888 5.228 4.340 0.000 0.000 0.279 239 R C -0.056 176.363 176.300 0.198 0.000 0.977 239 R CA -0.390 55.756 56.100 0.077 0.000 0.906 239 R CB 2.558 32.867 30.300 0.015 0.000 1.197 239 R HN 1.102 nan 8.270 nan 0.000 0.463 240 G N 0.433 109.347 108.800 0.190 0.000 2.356 240 G HA2 0.230 4.191 3.960 0.000 0.000 0.281 240 G HA3 0.230 4.191 3.960 0.000 0.000 0.281 240 G C -1.478 173.330 174.900 -0.154 0.000 1.246 240 G CA -0.598 44.456 45.100 -0.077 0.000 0.889 240 G HN 0.603 nan 8.290 nan 0.000 0.486 241 c N 0.522 118.806 118.600 -0.527 0.000 2.358 241 c HA 0.982 5.552 4.570 0.000 0.000 0.342 241 c C 0.800 174.788 174.090 -0.169 0.000 1.234 241 c CA 0.562 56.671 56.329 -0.366 0.000 1.969 241 c CB 0.228 42.388 42.510 -0.584 0.000 2.346 241 c HN 1.333 nan 8.230 nan 0.000 0.525 242 A N 1.609 124.476 122.820 0.079 0.000 2.593 242 A HA 0.889 5.209 4.320 0.000 0.000 0.290 242 A C -0.144 177.544 177.584 0.173 0.000 1.126 242 A CA -0.364 51.813 52.037 0.232 0.000 0.695 242 A CB 0.759 19.986 19.000 0.379 0.000 1.290 242 A HN 0.899 nan 8.150 nan 0.000 0.414 243 T N -1.316 113.346 114.554 0.180 0.000 2.816 243 T HA 0.551 4.901 4.350 0.000 0.000 0.282 243 T C 1.371 176.127 174.700 0.093 0.000 0.993 243 T CA 0.192 62.368 62.100 0.126 0.000 0.994 243 T CB 1.186 70.108 68.868 0.090 0.000 1.025 243 T HN 1.669 nan 8.240 nan 0.000 0.529 244 A N 1.316 124.177 122.820 0.068 0.000 1.902 244 A HA -0.051 4.269 4.320 0.000 0.000 0.217 244 A C 2.562 180.170 177.584 0.041 0.000 1.181 244 A CA 1.960 54.028 52.037 0.050 0.000 0.623 244 A CB -1.559 17.465 19.000 0.040 0.000 0.818 244 A HN 1.189 nan 8.150 nan 0.000 0.443 245 S N -0.551 115.167 115.700 0.030 0.000 2.462 245 S HA -0.142 4.328 4.470 0.000 0.000 0.243 245 S C 1.629 176.244 174.600 0.025 0.000 1.003 245 S CA 1.554 59.763 58.200 0.015 0.000 0.970 245 S CB -0.476 62.717 63.200 -0.012 0.000 0.762 245 S HN 0.449 nan 8.310 nan 0.000 0.510 246 M N 0.617 120.249 119.600 0.055 0.000 2.595 246 M HA 0.143 4.623 4.480 0.000 0.000 0.248 246 M C 0.611 176.948 176.300 0.062 0.000 1.119 246 M CA 0.327 55.680 55.300 0.088 0.000 1.079 246 M CB -0.838 31.866 32.600 0.174 0.000 1.472 246 M HN 0.389 nan 8.290 nan 0.000 0.501 247 c N 1.511 120.135 118.600 0.040 0.000 2.294 247 c HA 0.323 4.893 4.570 0.000 0.000 0.348 247 c C 0.959 175.050 174.090 0.003 0.000 1.355 247 c CA -0.600 55.737 56.329 0.014 0.000 1.774 247 c CB -1.637 40.884 42.510 0.018 0.000 2.259 247 c HN 0.456 nan 8.230 nan 0.000 0.570 253 G N -0.971 107.865 108.800 0.061 0.000 2.470 253 G HA2 -0.163 3.797 3.960 0.000 0.000 0.220 253 G HA3 -0.163 3.797 3.960 0.000 0.000 0.220 253 G C 0.731 175.650 174.900 0.031 0.000 1.121 253 G CA 0.870 46.027 45.100 0.095 0.000 0.766 253 G HN 0.711 nan 8.290 nan 0.000 0.553 254 D N 1.171 121.551 120.400 -0.033 0.000 2.190 254 D HA -0.149 4.491 4.640 0.000 0.000 0.200 254 D C 2.710 178.902 176.300 -0.181 0.000 0.992 254 D CA 1.288 55.244 54.000 -0.074 0.000 0.854 254 D CB -0.141 40.627 40.800 -0.054 0.000 0.936 254 D HN 0.377 nan 8.370 nan 0.000 0.462 255 A N -0.083 122.519 122.820 -0.363 0.000 2.014 255 A HA -0.083 4.237 4.320 0.000 0.000 0.218 255 A C 1.491 178.633 177.584 -0.737 0.000 1.163 255 A CA 0.715 52.286 52.037 -0.776 0.000 0.652 255 A CB -0.496 17.595 19.000 -1.515 0.000 0.808 255 A HN 0.169 nan 8.150 nan 0.000 0.449 256 F N -0.708 119.048 119.950 -0.324 0.000 2.664 256 F HA 0.249 4.775 4.527 -0.000 0.000 0.303 256 F C 1.269 176.916 175.800 -0.255 0.000 1.092 256 F CA 0.457 58.285 58.000 -0.288 0.000 1.305 256 F CB 0.027 38.826 39.000 -0.334 0.000 1.054 256 F HN 0.090 nan 8.300 nan 0.000 0.565 257 S N -0.007 115.619 115.700 -0.123 0.000 3.270 257 S HA -0.235 4.235 4.470 0.000 0.000 0.293 257 S C 0.515 174.925 174.600 -0.318 0.000 1.278 257 S CA 0.793 58.851 58.200 -0.238 0.000 1.038 257 S CB -1.682 61.292 63.200 -0.377 0.000 1.218 257 S HN 0.403 nan 8.310 nan 0.000 0.659 258 M N 0.520 120.033 119.600 -0.145 0.000 2.531 258 M HA 0.395 4.875 4.480 0.000 0.000 0.262 258 M C 1.309 177.550 176.300 -0.099 0.000 1.168 258 M CA -0.657 54.582 55.300 -0.102 0.000 0.926 258 M CB 0.420 33.002 32.600 -0.030 0.000 1.445 258 M HN 0.047 nan 8.290 nan 0.000 0.531 259 N N -0.620 118.003 118.700 -0.129 0.000 2.528 259 N HA 0.051 4.791 4.740 0.000 0.000 0.208 259 N C -0.217 175.274 175.510 -0.032 0.000 1.218 259 N CA 0.020 52.951 53.050 -0.199 0.000 1.112 259 N CB -0.480 37.724 38.487 -0.472 0.000 1.423 259 N HN 0.628 nan 8.380 nan 0.000 0.497 260 H N 1.415 120.410 119.070 -0.125 0.000 3.160 260 H HA 0.239 4.795 4.556 0.000 0.000 0.257 260 H C -0.344 174.933 175.328 -0.086 0.000 1.140 260 H CA -0.148 55.854 56.048 -0.076 0.000 1.492 260 H CB -0.054 29.675 29.762 -0.054 0.000 1.529 260 H HN 0.221 nan 8.280 nan 0.000 0.490 261 I N 5.873 126.453 120.570 0.017 0.000 2.359 261 I HA 0.137 4.307 4.170 0.000 0.000 0.294 261 I C -0.905 175.094 176.117 -0.197 0.000 0.987 261 I CA -0.627 60.574 61.300 -0.164 0.000 1.225 261 I CB 0.923 38.825 38.000 -0.163 0.000 1.366 261 I HN 0.641 nan 8.210 nan 0.000 0.466 262 D N 8.370 128.594 120.400 -0.293 0.000 2.453 262 D HA 0.258 4.898 4.640 0.000 0.000 0.238 262 D C -0.430 175.737 176.300 -0.222 0.000 1.088 262 D CA -0.049 53.813 54.000 -0.230 0.000 0.854 262 D CB 2.057 42.701 40.800 -0.259 0.000 1.076 262 D HN 0.357 nan 8.370 nan 0.000 0.533 263 V N -0.026 119.778 119.914 -0.183 0.000 2.612 263 V HA 0.789 4.909 4.120 0.000 0.000 0.301 263 V C 0.010 176.032 176.094 -0.119 0.000 1.046 263 V CA -0.451 61.735 62.300 -0.191 0.000 0.946 263 V CB 1.946 33.656 31.823 -0.188 0.000 1.003 263 V HN 0.337 nan 8.190 nan 0.000 0.459 264 S N 2.654 118.288 115.700 -0.111 0.000 2.538 264 S HA 0.789 5.259 4.470 0.000 0.000 0.288 264 S C -0.787 173.787 174.600 -0.043 0.000 1.108 264 S CA -0.363 57.796 58.200 -0.068 0.000 0.971 264 S CB 1.089 64.248 63.200 -0.070 0.000 1.041 264 S HN 1.118 nan 8.310 nan 0.000 0.483 265 c N 2.948 121.536 118.600 -0.019 0.000 2.898 265 c HA 0.916 5.486 4.570 0.000 0.000 0.304 265 c C -0.476 173.617 174.090 0.006 0.000 1.237 265 c CA -0.837 55.494 56.329 0.002 0.000 1.529 265 c CB 0.390 42.909 42.510 0.015 0.000 2.021 265 c HN 1.115 nan 8.230 nan 0.000 0.474 266 c N 0.078 118.686 118.600 0.014 0.000 3.170 266 c HA 0.848 5.418 4.570 0.000 0.000 0.319 266 c C 0.119 174.218 174.090 0.016 0.000 1.260 266 c CA -0.411 55.927 56.329 0.015 0.000 1.374 266 c CB 0.829 43.349 42.510 0.017 0.000 1.739 266 c HN 0.973 nan 8.230 nan 0.000 0.479 267 T N -1.418 113.144 114.554 0.014 0.000 3.350 267 T HA 0.533 4.883 4.350 0.000 0.000 0.246 267 T C -0.633 174.072 174.700 0.008 0.000 1.284 267 T CA -0.223 61.884 62.100 0.011 0.000 1.329 267 T CB -0.439 68.437 68.868 0.013 0.000 1.033 267 T HN 0.855 nan 8.240 nan 0.000 0.632 268 K N 0.775 121.180 120.400 0.008 0.000 2.482 268 K HA 0.565 4.885 4.320 0.000 0.000 0.251 268 K C -0.463 176.138 176.600 0.002 0.000 0.936 268 K CA -0.380 55.911 56.287 0.007 0.000 0.791 268 K CB 1.960 34.469 32.500 0.014 0.000 1.213 268 K HN 0.159 nan 8.250 nan 0.000 0.428 269 S N 1.949 117.641 115.700 -0.013 0.000 2.575 269 S HA 0.286 4.756 4.470 0.000 0.000 0.295 269 S C 1.134 175.724 174.600 -0.018 0.000 1.267 269 S CA 1.317 59.494 58.200 -0.038 0.000 1.074 269 S CB 0.204 63.373 63.200 -0.052 0.000 0.829 269 S HN 0.932 nan 8.310 nan 0.000 0.497 270 G N 1.487 110.263 108.800 -0.041 0.000 2.212 270 G HA2 -0.385 3.575 3.960 0.000 0.000 0.266 270 G HA3 -0.385 3.575 3.960 0.000 0.000 0.266 270 G C 1.117 176.177 174.900 0.267 0.000 0.978 270 G CA 0.459 45.621 45.100 0.104 0.000 0.632 270 G HN 1.278 nan 8.290 nan 0.000 0.537 271 c N -0.675 118.005 118.600 0.133 0.000 2.443 271 c HA 0.156 4.726 4.570 0.000 0.000 0.290 271 c C 1.978 176.143 174.090 0.126 0.000 1.476 271 c CA 1.165 57.559 56.329 0.110 0.000 1.772 271 c CB -1.556 40.987 42.510 0.056 0.000 1.714 271 c HN 0.634 nan 8.230 nan 0.000 0.562 272 N N -0.228 118.583 118.700 0.186 0.000 2.457 272 N HA -0.084 4.656 4.740 0.000 0.000 0.180 272 N C 0.421 176.032 175.510 0.168 0.000 1.050 272 N CA -0.112 53.038 53.050 0.167 0.000 0.906 272 N CB -0.229 38.365 38.487 0.179 0.000 0.968 272 N HN 0.703 nan 8.380 nan 0.000 0.445 273 H N 1.339 120.462 119.070 0.090 0.000 2.948 273 H HA 0.048 4.604 4.556 0.000 0.000 0.351 273 H C -2.172 173.053 175.328 -0.172 0.000 1.079 273 H CA -0.964 54.925 56.048 -0.264 0.000 1.407 273 H CB 0.772 30.286 29.762 -0.413 0.000 1.373 273 H HN -0.023 nan 8.280 nan 0.000 0.605 274 P HA -0.060 nan 4.420 nan 0.000 0.238 274 P C -0.587 176.522 177.300 -0.317 0.000 1.679 274 P CA 0.267 63.077 63.100 -0.483 0.000 1.080 274 P CB -0.413 30.974 31.700 -0.521 0.000 1.961 275 D N 0.000 120.314 120.400 -0.143 0.000 6.856 275 D HA 0.000 4.640 4.640 0.000 0.000 0.175 275 D CA 0.000 53.983 54.000 -0.028 0.000 0.868 275 D CB 0.000 40.776 40.800 -0.040 0.000 0.688 275 D HN 0.000 nan 8.370 nan 0.000 0.683