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 1xr4_1_A DATA FIRST_RESID 0 DATA SEQUENCE AXKETVTXLN QQYVVPEGLQ PYQGVTANSP WLASETEKRR RKICDSLEEA DATA SEQUENCE IRRSGLKNGX TISFHHAFRG GDKVVNXVXA KLAEXGFRDL TLASSSLIDA DATA SEQUENCE HWPLIEHIKN GVVRQIYTSG LRGKLGEEIS AGLXENPVQI HSHGGRVKLI DATA SEQUENCE QSGELNIDVA FLGVPCCDEF GNANGFSGKS RCGSLGYAQV DAQYAKCVVL DATA SEQUENCE LTEEWVEFPN YPASIAQDQV DLIVQVDEVG DPEKITAGAI RLSSNPRELL DATA SEQUENCE IARQAANVIE HSGYFCDGFS LQTGTGGASL AVTRFLEDKX RRHNITASFG DATA SEQUENCE LGGITGTXVD LHEKGLIKAL LDTQSFDGDA ARSLAQNPHH IEISTNQYAN DATA SEQUENCE PASKGAACER LNVVXLSALE IDVNFNVNVX TGSNGVLRGA SGGHSDTAAG DATA SEQUENCE ADLTIITAPL VRGRIPCVVE KVLTTVTPGA SVDVLVTDHG IAVNPARQDL DATA SEQUENCE LDNLRAAGVA LXTIEQLQQR AEQLTGKPQP IEFTDRVVAV VRYRDGSVID DATA SEQUENCE VIRQVK 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.603 177.584 0.032 0.000 1.274 0 A CA 0.000 52.056 52.037 0.031 0.000 0.836 0 A CB 0.000 19.029 19.000 0.048 0.000 0.831 3 E N 0.960 121.171 120.200 0.019 0.000 2.152 3 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 3 E C 1.682 178.298 176.600 0.027 0.000 0.983 3 E CA 1.697 58.109 56.400 0.021 0.000 0.818 3 E CB 0.153 29.863 29.700 0.018 0.000 0.758 3 E HN 0.297 nan 8.360 nan 0.000 0.467 4 T N -0.392 114.178 114.554 0.027 0.000 3.023 4 T HA -0.033 4.317 4.350 -0.000 0.000 0.266 4 T C 1.886 176.608 174.700 0.037 0.000 1.093 4 T CA 0.552 62.671 62.100 0.032 0.000 1.129 4 T CB 0.078 68.959 68.868 0.022 0.000 0.899 4 T HN -0.076 nan 8.240 nan 0.000 0.491 5 V N 1.516 121.448 119.914 0.031 0.000 2.323 5 V HA 0.003 4.123 4.120 -0.000 0.000 0.244 5 V C 2.031 178.149 176.094 0.040 0.000 1.041 5 V CA 1.327 63.646 62.300 0.032 0.000 1.025 5 V CB -1.064 30.775 31.823 0.026 0.000 0.656 5 V HN 0.482 nan 8.190 nan 0.000 0.451 9 N N 0.923 119.684 118.700 0.101 0.000 2.205 9 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 9 N C 1.410 176.952 175.510 0.052 0.000 1.015 9 N CA 1.506 54.597 53.050 0.068 0.000 0.862 9 N CB -0.004 38.510 38.487 0.044 0.000 0.986 9 N HN 0.527 nan 8.380 nan 0.000 0.429 10 Q N -0.036 119.791 119.800 0.045 0.000 2.204 10 Q HA 0.082 4.422 4.340 -0.000 0.000 0.198 10 Q C 1.304 177.282 176.000 -0.037 0.000 0.946 10 Q CA 0.657 56.464 55.803 0.007 0.000 0.859 10 Q CB 0.185 28.925 28.738 0.004 0.000 0.946 10 Q HN 0.382 nan 8.270 nan 0.000 0.474 11 Q N -1.196 118.564 119.800 -0.066 0.000 2.317 11 Q HA 0.124 4.464 4.340 -0.000 0.000 0.220 11 Q C -0.663 175.027 176.000 -0.516 0.000 0.873 11 Q CA 0.166 55.789 55.803 -0.301 0.000 0.936 11 Q CB 0.846 29.331 28.738 -0.422 0.000 1.105 11 Q HN 0.185 nan 8.270 nan 0.000 0.520 12 Y N -1.162 119.139 120.300 0.002 0.000 2.570 12 Y HA 0.407 4.957 4.550 -0.000 0.000 0.345 12 Y C -0.300 175.601 175.900 0.002 0.000 1.014 12 Y CA -1.483 56.618 58.100 0.002 0.000 1.063 12 Y CB 1.355 39.816 38.460 0.002 0.000 1.272 12 Y HN -0.381 nan 8.280 nan 0.000 0.477 13 V N 4.220 124.230 119.914 0.161 0.000 2.405 13 V HA 0.380 4.500 4.120 -0.000 0.000 0.264 13 V C -0.185 175.963 176.094 0.090 0.000 1.048 13 V CA -0.332 62.024 62.300 0.093 0.000 0.966 13 V CB -0.384 31.477 31.823 0.063 0.000 1.015 13 V HN 0.566 nan 8.190 nan 0.000 0.477 14 V N 3.548 123.504 119.914 0.070 0.000 3.130 14 V HA 0.753 4.873 4.120 -0.000 0.000 0.310 14 V C -2.693 173.421 176.094 0.034 0.000 1.158 14 V CA -2.522 59.808 62.300 0.050 0.000 1.029 14 V CB 1.504 33.362 31.823 0.057 0.000 1.057 14 V HN 0.615 nan 8.190 nan 0.000 0.436 15 P HA 0.306 nan 4.420 nan 0.000 0.268 15 P C -0.275 177.037 177.300 0.020 0.000 1.205 15 P CA -0.052 63.059 63.100 0.018 0.000 0.771 15 P CB 0.307 32.015 31.700 0.013 0.000 0.858 16 E N 0.871 121.082 120.200 0.018 0.000 2.415 16 E HA 0.277 4.627 4.350 -0.000 0.000 0.262 16 E C 0.992 177.601 176.600 0.015 0.000 1.038 16 E CA 0.787 57.197 56.400 0.017 0.000 0.921 16 E CB 0.005 29.713 29.700 0.014 0.000 0.950 16 E HN 0.762 nan 8.360 nan 0.000 0.438 17 G N 2.712 111.521 108.800 0.015 0.000 2.160 17 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 17 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 17 G C 0.056 174.964 174.900 0.013 0.000 1.022 17 G CA -0.217 44.890 45.100 0.013 0.000 0.741 17 G HN 0.375 nan 8.290 nan 0.000 0.508 18 L N 0.303 121.536 121.223 0.016 0.000 2.462 18 L HA 0.318 4.658 4.340 -0.000 0.000 0.272 18 L C 0.565 177.446 176.870 0.017 0.000 1.166 18 L CA 0.080 54.930 54.840 0.017 0.000 0.880 18 L CB 0.628 42.698 42.059 0.018 0.000 1.142 18 L HN 0.194 nan 8.230 nan 0.000 0.473 19 Q N 3.567 123.378 119.800 0.017 0.000 2.387 19 Q HA 0.553 4.892 4.340 -0.000 0.000 0.273 19 Q C -2.213 173.803 176.000 0.026 0.000 1.089 19 Q CA -1.847 53.965 55.803 0.015 0.000 0.824 19 Q CB 1.942 30.683 28.738 0.005 0.000 1.367 19 Q HN 0.383 nan 8.270 nan 0.000 0.443 20 P HA 0.132 nan 4.420 nan 0.000 0.277 20 P C -0.798 176.543 177.300 0.069 0.000 1.240 20 P CA -0.484 62.648 63.100 0.053 0.000 0.798 20 P CB 0.239 31.963 31.700 0.041 0.000 0.979 21 Y N 2.052 122.341 120.300 -0.019 0.000 2.805 21 Y HA -0.046 4.504 4.550 -0.000 0.000 0.337 21 Y C 0.903 176.788 175.900 -0.025 0.000 1.252 21 Y CA 0.747 58.833 58.100 -0.023 0.000 1.515 21 Y CB 0.468 38.914 38.460 -0.024 0.000 1.305 21 Y HN 0.463 nan 8.280 nan 0.000 0.600 22 Q N 4.441 123.759 119.800 -0.803 0.000 2.147 22 Q HA 0.492 4.832 4.340 -0.000 0.000 0.287 22 Q C -0.189 175.360 176.000 -0.752 0.000 0.863 22 Q CA -0.155 55.261 55.803 -0.646 0.000 1.073 22 Q CB 0.370 28.933 28.738 -0.291 0.000 1.298 22 Q HN 1.117 nan 8.270 nan 0.000 0.411 23 G N -0.262 107.722 108.800 -1.360 0.000 2.525 23 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.685 23 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.685 23 G C 0.066 174.792 174.900 -0.291 0.000 1.285 23 G CA -0.469 44.286 45.100 -0.575 0.000 0.849 23 G HN 0.071 nan 8.290 nan 0.000 0.653 24 V N 0.609 120.505 119.914 -0.030 0.000 2.515 24 V HA -0.063 4.057 4.120 -0.000 0.000 0.250 24 V C 2.792 178.826 176.094 -0.100 0.000 1.058 24 V CA 3.064 65.375 62.300 0.018 0.000 1.064 24 V CB -0.476 31.366 31.823 0.031 0.000 0.675 24 V HN 1.495 nan 8.190 nan 0.000 0.461 25 T N -2.999 111.463 114.554 -0.153 0.000 3.054 25 T HA 0.351 4.701 4.350 -0.000 0.000 0.255 25 T C 1.686 176.239 174.700 -0.245 0.000 1.035 25 T CA 0.649 62.610 62.100 -0.232 0.000 0.941 25 T CB 0.482 69.227 68.868 -0.205 0.000 1.026 25 T HN 0.329 nan 8.240 nan 0.000 0.533 26 A N 3.360 126.054 122.820 -0.211 0.000 1.892 26 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 26 A C 2.165 179.640 177.584 -0.180 0.000 1.188 26 A CA 1.677 53.601 52.037 -0.189 0.000 0.631 26 A CB -0.569 18.309 19.000 -0.203 0.000 0.822 26 A HN 0.637 nan 8.150 nan 0.000 0.447 27 N N -0.809 117.776 118.700 -0.192 0.000 2.203 27 N HA 0.108 4.848 4.740 -0.000 0.000 0.207 27 N C -0.427 174.857 175.510 -0.375 0.000 1.130 27 N CA 0.287 53.226 53.050 -0.185 0.000 0.861 27 N CB 0.784 39.217 38.487 -0.090 0.000 1.005 27 N HN 0.229 nan 8.380 nan 0.000 0.507 28 S N 1.236 116.582 115.700 -0.589 0.000 2.399 28 S HA 0.264 4.734 4.470 -0.000 0.000 0.198 28 S C -1.931 171.934 174.600 -1.224 0.000 1.294 28 S CA -0.806 56.630 58.200 -1.274 0.000 1.237 28 S CB 1.536 64.234 63.200 -0.837 0.000 1.286 28 S HN 0.025 nan 8.310 nan 0.000 0.404 29 P HA -0.109 nan 4.420 nan 0.000 0.218 29 P C 1.246 178.409 177.300 -0.229 0.000 1.148 29 P CA 0.926 63.806 63.100 -0.367 0.000 0.822 29 P CB -0.208 31.406 31.700 -0.143 0.000 0.784 30 W N -0.651 120.648 121.300 -0.003 0.000 2.424 30 W HA -0.056 4.604 4.660 -0.000 0.000 0.264 30 W C 1.393 177.913 176.519 0.003 0.000 1.229 30 W CA 0.366 57.712 57.345 0.001 0.000 1.208 30 W CB -1.981 27.484 29.460 0.008 0.000 1.127 30 W HN -0.128 nan 8.180 nan 0.000 0.588 31 L N 1.213 122.314 121.223 -0.204 0.000 2.291 31 L HA -0.022 4.318 4.340 -0.000 0.000 0.214 31 L C 2.742 179.585 176.870 -0.044 0.000 1.120 31 L CA 0.897 55.688 54.840 -0.082 0.000 0.799 31 L CB -0.985 40.972 42.059 -0.170 0.000 0.925 31 L HN 0.205 nan 8.230 nan 0.000 0.446 32 A N -1.062 121.720 122.820 -0.064 0.000 2.125 32 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 32 A C 1.292 178.873 177.584 -0.005 0.000 1.156 32 A CA 1.162 53.177 52.037 -0.038 0.000 0.671 32 A CB -0.183 18.789 19.000 -0.047 0.000 0.794 32 A HN 0.326 nan 8.150 nan 0.000 0.459 33 S N -0.967 114.747 115.700 0.023 0.000 2.557 33 S HA 0.363 4.833 4.470 -0.000 0.000 0.291 33 S C 0.444 175.068 174.600 0.041 0.000 1.116 33 S CA 0.039 58.257 58.200 0.031 0.000 0.992 33 S CB 1.336 64.561 63.200 0.042 0.000 1.028 33 S HN 0.482 nan 8.310 nan 0.000 0.484 34 E N 2.808 123.019 120.200 0.018 0.000 2.442 34 E HA 0.018 4.368 4.350 -0.000 0.000 0.195 34 E C 0.694 177.293 176.600 -0.001 0.000 1.030 34 E CA 0.596 57.002 56.400 0.009 0.000 0.869 34 E CB -0.155 29.541 29.700 -0.006 0.000 0.857 34 E HN 0.586 nan 8.360 nan 0.000 0.505 35 T N 0.923 115.480 114.554 0.004 0.000 2.901 35 T HA -0.079 4.271 4.350 -0.000 0.000 0.252 35 T C 1.594 176.303 174.700 0.015 0.000 1.035 35 T CA 0.854 62.950 62.100 -0.007 0.000 1.142 35 T CB -0.092 68.769 68.868 -0.011 0.000 0.869 35 T HN 0.212 nan 8.240 nan 0.000 0.442 36 E N 1.542 121.770 120.200 0.047 0.000 2.070 36 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 36 E C 2.203 178.870 176.600 0.111 0.000 1.004 36 E CA 1.381 57.831 56.400 0.082 0.000 0.805 36 E CB -0.045 29.732 29.700 0.128 0.000 0.744 36 E HN 0.544 nan 8.360 nan 0.000 0.451 37 K N 0.097 120.590 120.400 0.155 0.000 2.211 37 K HA -0.145 4.175 4.320 -0.000 0.000 0.203 37 K C 1.952 178.637 176.600 0.141 0.000 1.050 37 K CA 1.159 57.573 56.287 0.213 0.000 0.945 37 K CB -0.067 32.594 32.500 0.268 0.000 0.732 37 K HN 0.014 nan 8.250 nan 0.000 0.451 38 R N 0.450 120.971 120.500 0.034 0.000 2.112 38 R HA 0.125 4.465 4.340 -0.000 0.000 0.216 38 R C 1.830 178.151 176.300 0.036 0.000 1.080 38 R CA 0.875 56.944 56.100 -0.052 0.000 0.996 38 R CB 0.130 30.339 30.300 -0.151 0.000 0.902 38 R HN 0.167 nan 8.270 nan 0.000 0.449 39 R N 0.476 120.983 120.500 0.012 0.000 2.437 39 R HA 0.133 4.473 4.340 -0.000 0.000 0.257 39 R C 1.607 177.900 176.300 -0.010 0.000 0.927 39 R CA -0.123 55.968 56.100 -0.015 0.000 1.078 39 R CB 0.383 30.649 30.300 -0.057 0.000 1.161 39 R HN 0.178 nan 8.270 nan 0.000 0.529 40 R N 1.565 122.059 120.500 -0.010 0.000 2.154 40 R HA -0.186 4.154 4.340 -0.000 0.000 0.248 40 R C 1.132 177.393 176.300 -0.064 0.000 1.155 40 R CA 1.489 57.559 56.100 -0.051 0.000 0.979 40 R CB -0.416 29.811 30.300 -0.123 0.000 0.869 40 R HN 0.122 nan 8.270 nan 0.000 0.452 41 K N 0.695 121.059 120.400 -0.059 0.000 2.296 41 K HA 0.112 4.432 4.320 -0.000 0.000 0.200 41 K C 0.750 177.367 176.600 0.028 0.000 1.048 41 K CA 0.305 56.565 56.287 -0.045 0.000 0.966 41 K CB -0.022 32.444 32.500 -0.058 0.000 0.754 41 K HN 0.179 nan 8.250 nan 0.000 0.466 42 I N 1.614 122.208 120.570 0.039 0.000 2.710 42 I HA -0.116 4.054 4.170 -0.000 0.000 0.286 42 I C -0.007 176.157 176.117 0.078 0.000 1.181 42 I CA -0.094 61.255 61.300 0.080 0.000 1.430 42 I CB 0.331 38.310 38.000 -0.036 0.000 1.367 42 I HN 0.067 nan 8.210 nan 0.000 0.577 43 C N 5.627 125.006 119.300 0.132 0.000 2.441 43 C HA 0.223 4.683 4.460 -0.000 0.000 0.318 43 C C 1.073 176.140 174.990 0.127 0.000 1.222 43 C CA -0.707 58.373 59.018 0.103 0.000 1.474 43 C CB 1.215 29.011 27.740 0.094 0.000 2.125 43 C HN 0.720 nan 8.230 nan 0.000 0.479 44 D N 1.083 121.538 120.400 0.091 0.000 2.347 44 D HA 0.010 4.650 4.640 -0.000 0.000 0.215 44 D C 0.887 177.238 176.300 0.085 0.000 0.976 44 D CA 0.964 55.019 54.000 0.091 0.000 0.884 44 D CB 0.317 41.152 40.800 0.059 0.000 0.915 44 D HN 0.737 nan 8.370 nan 0.000 0.526 45 S N -0.960 114.786 115.700 0.077 0.000 2.550 45 S HA 0.233 4.703 4.470 -0.000 0.000 0.270 45 S C 0.449 175.089 174.600 0.066 0.000 1.145 45 S CA -0.848 57.390 58.200 0.064 0.000 0.852 45 S CB 1.668 64.898 63.200 0.049 0.000 1.119 45 S HN -0.108 nan 8.310 nan 0.000 0.465 46 L N 1.584 122.839 121.223 0.054 0.000 2.042 46 L HA 0.035 4.375 4.340 -0.000 0.000 0.210 46 L C 2.354 179.264 176.870 0.066 0.000 1.076 46 L CA 2.532 57.406 54.840 0.056 0.000 0.749 46 L CB -1.047 41.024 42.059 0.020 0.000 0.893 46 L HN 1.036 nan 8.230 nan 0.000 0.432 47 E N -0.721 119.511 120.200 0.055 0.000 2.110 47 E HA -0.289 4.061 4.350 -0.000 0.000 0.193 47 E C 2.105 178.752 176.600 0.079 0.000 0.988 47 E CA 1.274 57.714 56.400 0.066 0.000 0.804 47 E CB -0.133 29.598 29.700 0.052 0.000 0.745 47 E HN 0.721 nan 8.360 nan 0.000 0.458 48 E N -0.015 120.226 120.200 0.069 0.000 2.077 48 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 48 E C 1.976 178.621 176.600 0.075 0.000 0.989 48 E CA 0.966 57.405 56.400 0.066 0.000 0.800 48 E CB -0.158 29.575 29.700 0.056 0.000 0.746 48 E HN 0.319 nan 8.360 nan 0.000 0.452 49 A N 1.194 124.066 122.820 0.086 0.000 1.917 49 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 49 A C 2.157 179.809 177.584 0.112 0.000 1.182 49 A CA 1.699 53.792 52.037 0.094 0.000 0.633 49 A CB -0.712 18.362 19.000 0.124 0.000 0.819 49 A HN 0.363 nan 8.150 nan 0.000 0.448 50 I N -1.155 119.507 120.570 0.153 0.000 2.252 50 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 50 I C 2.796 179.007 176.117 0.157 0.000 1.102 50 I CA 1.299 62.709 61.300 0.184 0.000 1.385 50 I CB -0.360 37.754 38.000 0.189 0.000 1.064 50 I HN 0.297 nan 8.210 nan 0.000 0.414 51 R N 0.727 121.311 120.500 0.141 0.000 2.070 51 R HA -0.130 4.210 4.340 -0.000 0.000 0.233 51 R C 2.438 178.785 176.300 0.078 0.000 1.137 51 R CA 1.364 57.535 56.100 0.119 0.000 0.945 51 R CB -0.458 29.894 30.300 0.087 0.000 0.845 51 R HN 0.340 nan 8.270 nan 0.000 0.430 52 R N 0.700 121.234 120.500 0.056 0.000 2.127 52 R HA -0.102 4.238 4.340 -0.000 0.000 0.238 52 R C 2.475 178.778 176.300 0.005 0.000 1.134 52 R CA 1.640 57.755 56.100 0.026 0.000 0.975 52 R CB -0.383 29.926 30.300 0.015 0.000 0.865 52 R HN 0.303 nan 8.270 nan 0.000 0.447 53 S N -0.359 115.344 115.700 0.005 0.000 2.474 53 S HA -0.034 4.436 4.470 -0.000 0.000 0.235 53 S C 1.583 176.164 174.600 -0.031 0.000 0.997 53 S CA 0.935 59.109 58.200 -0.044 0.000 0.949 53 S CB 0.010 63.163 63.200 -0.078 0.000 0.766 53 S HN 0.555 nan 8.310 nan 0.000 0.517 54 G N 0.667 109.478 108.800 0.019 0.000 2.162 54 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.260 54 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.260 54 G C 0.017 174.950 174.900 0.055 0.000 0.976 54 G CA 0.261 45.381 45.100 0.035 0.000 0.655 54 G HN 0.617 nan 8.290 nan 0.000 0.533 55 L N 0.143 121.393 121.223 0.046 0.000 2.543 55 L HA 0.325 4.665 4.340 -0.000 0.000 0.285 55 L C 0.577 177.577 176.870 0.216 0.000 1.236 55 L CA 1.018 55.861 54.840 0.006 0.000 0.871 55 L CB 0.361 42.301 42.059 -0.198 0.000 1.121 55 L HN 0.276 nan 8.230 nan 0.000 0.501 56 K N 2.870 123.395 120.400 0.207 0.000 2.480 56 K HA 0.339 4.659 4.320 -0.000 0.000 0.258 56 K C -0.869 175.929 176.600 0.330 0.000 0.990 56 K CA -1.149 55.348 56.287 0.351 0.000 0.857 56 K CB 1.384 33.985 32.500 0.168 0.000 1.384 56 K HN 0.501 nan 8.250 nan 0.000 0.446 57 N N 0.945 119.855 118.700 0.349 0.000 2.353 57 N HA 0.131 4.871 4.740 -0.000 0.000 0.248 57 N C 0.486 176.080 175.510 0.139 0.000 1.240 57 N CA 1.604 54.805 53.050 0.252 0.000 0.862 57 N CB 0.298 38.879 38.487 0.155 0.000 1.086 57 N HN 0.804 nan 8.380 nan 0.000 0.453 61 I N 0.034 120.594 120.570 -0.016 0.000 2.846 61 I HA 0.986 5.156 4.170 -0.000 0.000 0.307 61 I C -0.218 175.874 176.117 -0.041 0.000 1.053 61 I CA -0.862 60.417 61.300 -0.034 0.000 1.050 61 I CB 2.458 40.505 38.000 0.079 0.000 1.239 61 I HN 0.727 nan 8.210 nan 0.000 0.439 62 S N 2.448 118.024 115.700 -0.207 0.000 2.651 62 S HA 0.842 5.312 4.470 -0.000 0.000 0.279 62 S C -1.195 173.105 174.600 -0.499 0.000 1.148 62 S CA -0.604 57.496 58.200 -0.166 0.000 0.837 62 S CB 1.861 65.036 63.200 -0.042 0.000 1.138 62 S HN 0.648 nan 8.310 nan 0.000 0.478 63 F N 0.344 120.365 119.950 0.118 0.000 2.686 63 F HA 0.556 5.083 4.527 -0.000 0.000 0.311 63 F C 0.041 175.932 175.800 0.152 0.000 1.128 63 F CA -0.757 57.311 58.000 0.113 0.000 0.946 63 F CB 1.855 40.872 39.000 0.029 0.000 1.336 63 F HN 0.941 nan 8.300 nan 0.000 0.457 64 H N -0.084 119.179 119.070 0.322 0.000 2.670 64 H HA 0.390 4.946 4.556 0.000 0.000 0.361 64 H C -0.708 174.761 175.328 0.234 0.000 1.169 64 H CA -0.677 55.513 56.048 0.235 0.000 1.198 64 H CB 1.715 31.556 29.762 0.130 0.000 1.700 64 H HN 0.863 nan 8.280 nan 0.000 0.542 65 H N 0.692 119.787 119.070 0.042 0.000 2.505 65 H HA 0.335 4.891 4.556 -0.000 0.000 0.286 65 H C 0.771 176.084 175.328 -0.026 0.000 1.072 65 H CA 0.188 56.223 56.048 -0.023 0.000 1.141 65 H CB -0.487 29.262 29.762 -0.022 0.000 1.550 65 H HN 0.642 nan 8.280 nan 0.000 0.547 66 A N 0.706 123.411 122.820 -0.193 0.000 2.216 66 A HA -0.002 4.318 4.320 -0.000 0.000 0.214 66 A C 1.159 178.462 177.584 -0.469 0.000 1.160 66 A CA 0.380 52.191 52.037 -0.377 0.000 0.725 66 A CB -1.129 17.630 19.000 -0.402 0.000 0.784 66 A HN 0.344 nan 8.150 nan 0.000 0.472 67 F N -1.176 118.775 119.950 0.000 0.000 2.765 67 F HA 0.237 4.764 4.527 -0.000 0.000 0.302 67 F C 1.395 177.205 175.800 0.017 0.000 1.111 67 F CA 0.230 58.231 58.000 0.002 0.000 1.359 67 F CB -0.025 38.964 39.000 -0.019 0.000 1.097 67 F HN 0.136 nan 8.300 nan 0.000 0.577 68 R N -0.515 120.063 120.500 0.130 0.000 3.878 68 R HA -0.249 4.091 4.340 -0.000 0.000 0.446 68 R C 1.784 178.147 176.300 0.105 0.000 0.241 68 R CA 0.723 56.905 56.100 0.136 0.000 1.411 68 R CB -1.669 28.712 30.300 0.136 0.000 1.019 68 R HN 0.354 nan 8.270 nan 0.000 0.555 69 G N -0.462 108.388 108.800 0.083 0.000 2.470 69 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.220 69 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.220 69 G C 1.008 175.911 174.900 0.006 0.000 1.121 69 G CA 1.083 46.200 45.100 0.027 0.000 0.766 69 G HN 0.673 nan 8.290 nan 0.000 0.553 70 G N -0.314 108.515 108.800 0.049 0.000 3.371 70 G HA2 0.250 4.210 3.960 -0.000 0.000 0.248 70 G HA3 0.250 4.210 3.960 -0.000 0.000 0.248 70 G C -0.062 174.853 174.900 0.026 0.000 1.161 70 G CA -0.057 45.062 45.100 0.033 0.000 0.796 70 G HN 0.399 nan 8.290 nan 0.000 0.539 71 D N 0.070 120.501 120.400 0.053 0.000 2.488 71 D HA 0.113 4.753 4.640 -0.000 0.000 0.238 71 D C 1.291 177.576 176.300 -0.024 0.000 1.138 71 D CA 0.635 54.675 54.000 0.067 0.000 0.873 71 D CB 0.687 41.584 40.800 0.162 0.000 1.183 71 D HN 0.144 nan 8.370 nan 0.000 0.458 72 K N 2.084 122.432 120.400 -0.087 0.000 2.450 72 K HA 0.095 4.415 4.320 -0.000 0.000 0.206 72 K C 1.398 177.933 176.600 -0.108 0.000 1.148 72 K CA -0.127 56.096 56.287 -0.106 0.000 1.014 72 K CB 0.787 33.206 32.500 -0.135 0.000 0.966 72 K HN 0.241 nan 8.250 nan 0.000 0.566 73 V N 0.958 120.814 119.914 -0.097 0.000 2.346 73 V HA -0.184 3.936 4.120 -0.000 0.000 0.244 73 V C 2.161 178.153 176.094 -0.169 0.000 1.037 73 V CA 1.322 63.592 62.300 -0.051 0.000 1.029 73 V CB -0.195 31.675 31.823 0.079 0.000 0.663 73 V HN -0.008 nan 8.190 nan 0.000 0.454 74 V N 0.234 119.888 119.914 -0.433 0.000 2.252 74 V HA -0.206 3.913 4.120 -0.000 0.000 0.249 74 V C 1.356 177.125 176.094 -0.542 0.000 1.056 74 V CA 1.527 63.234 62.300 -0.989 0.000 1.022 74 V CB -0.812 30.331 31.823 -1.133 0.000 0.641 74 V HN 0.560 nan 8.190 nan 0.000 0.445 80 K N 0.685 121.038 120.400 -0.079 0.000 2.057 80 K HA 0.081 4.401 4.320 -0.000 0.000 0.206 80 K C 1.832 178.440 176.600 0.013 0.000 1.050 80 K CA 1.684 57.951 56.287 -0.034 0.000 0.935 80 K CB -0.480 31.990 32.500 -0.050 0.000 0.715 80 K HN 0.578 nan 8.250 nan 0.000 0.439 81 L N 0.216 121.423 121.223 -0.027 0.000 2.141 81 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 81 L C 2.489 179.445 176.870 0.143 0.000 1.094 81 L CA 1.092 56.009 54.840 0.129 0.000 0.763 81 L CB -0.467 41.560 42.059 -0.054 0.000 0.908 81 L HN 0.090 nan 8.230 nan 0.000 0.437 82 A N -0.229 122.578 122.820 -0.021 0.000 1.873 82 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 82 A C 1.261 178.872 177.584 0.046 0.000 1.186 82 A CA 0.685 52.731 52.037 0.015 0.000 0.616 82 A CB -0.339 18.674 19.000 0.022 0.000 0.823 82 A HN 0.378 nan 8.150 nan 0.000 0.442 86 F N 1.924 121.871 119.950 -0.005 0.000 2.518 86 F HA 0.612 5.139 4.527 0.000 0.000 0.359 86 F C 1.056 176.858 175.800 0.005 0.000 1.118 86 F CA 0.120 58.120 58.000 0.000 0.000 1.287 86 F CB 0.810 39.808 39.000 -0.004 0.000 1.132 86 F HN -0.141 nan 8.300 nan 0.000 0.587 87 R N 1.254 121.881 120.500 0.212 0.000 2.807 87 R HA 0.252 4.592 4.340 -0.000 0.000 0.276 87 R C -0.610 175.767 176.300 0.128 0.000 0.979 87 R CA -0.869 55.308 56.100 0.129 0.000 0.928 87 R CB 1.491 31.837 30.300 0.077 0.000 1.191 87 R HN 0.656 nan 8.270 nan 0.000 0.471 88 D N 0.506 120.962 120.400 0.095 0.000 2.945 88 D HA -0.175 4.465 4.640 -0.000 0.000 0.225 88 D C -0.149 176.199 176.300 0.080 0.000 1.158 88 D CA 0.842 54.890 54.000 0.080 0.000 0.805 88 D CB -1.139 39.704 40.800 0.073 0.000 1.098 88 D HN 0.334 nan 8.370 nan 0.000 0.426 89 L N 0.236 121.507 121.223 0.080 0.000 2.452 89 L HA 0.185 4.525 4.340 -0.000 0.000 0.267 89 L C 1.188 178.099 176.870 0.069 0.000 1.188 89 L CA 0.378 55.255 54.840 0.061 0.000 0.821 89 L CB 0.582 42.661 42.059 0.033 0.000 1.102 89 L HN -0.147 nan 8.230 nan 0.000 0.470 90 T N 3.374 117.969 114.554 0.068 0.000 2.806 90 T HA 0.379 4.729 4.350 -0.000 0.000 0.290 90 T C -0.359 174.403 174.700 0.104 0.000 0.966 90 T CA -0.339 61.821 62.100 0.100 0.000 1.060 90 T CB 1.212 70.141 68.868 0.101 0.000 0.927 90 T HN 0.216 nan 8.240 nan 0.000 0.485 91 L N 3.918 125.223 121.223 0.137 0.000 2.277 91 L HA 0.681 5.021 4.340 -0.000 0.000 0.284 91 L C 0.120 177.104 176.870 0.190 0.000 1.028 91 L CA -0.451 54.483 54.840 0.157 0.000 0.835 91 L CB 0.357 42.488 42.059 0.120 0.000 1.215 91 L HN 0.712 nan 8.230 nan 0.000 0.425 92 A N 3.550 126.481 122.820 0.185 0.000 3.257 92 A HA 0.439 4.759 4.320 -0.000 0.000 0.308 92 A C 0.426 178.147 177.584 0.227 0.000 1.175 92 A CA -0.292 51.862 52.037 0.196 0.000 1.018 92 A CB -0.276 18.772 19.000 0.081 0.000 1.088 92 A HN 0.649 nan 8.150 nan 0.000 0.567 93 S N 0.336 116.192 115.700 0.261 0.000 2.560 93 S HA 0.153 4.623 4.470 -0.000 0.000 0.284 93 S C 1.786 176.512 174.600 0.209 0.000 1.327 93 S CA 0.352 58.705 58.200 0.255 0.000 1.055 93 S CB 0.490 63.758 63.200 0.114 0.000 0.868 93 S HN 1.027 nan 8.310 nan 0.000 0.506 94 S N 3.041 118.870 115.700 0.215 0.000 2.423 94 S HA 0.080 4.550 4.470 -0.000 0.000 0.231 94 S C 0.694 175.281 174.600 -0.022 0.000 1.014 94 S CA 0.467 58.777 58.200 0.183 0.000 0.965 94 S CB -0.106 63.219 63.200 0.209 0.000 0.785 94 S HN 0.522 nan 8.310 nan 0.000 0.495 95 S N -0.652 114.986 115.700 -0.104 0.000 2.543 95 S HA 0.603 5.073 4.470 -0.000 0.000 0.274 95 S C -1.789 172.810 174.600 -0.001 0.000 1.149 95 S CA -0.888 57.204 58.200 -0.180 0.000 0.866 95 S CB 1.039 63.893 63.200 -0.576 0.000 1.111 95 S HN 0.381 nan 8.310 nan 0.000 0.457 96 L N 4.659 125.907 121.223 0.042 0.000 2.341 96 L HA 0.685 5.025 4.340 -0.000 0.000 0.278 96 L C -0.091 176.885 176.870 0.177 0.000 1.005 96 L CA -0.770 54.191 54.840 0.201 0.000 0.818 96 L CB 1.413 43.540 42.059 0.112 0.000 1.259 96 L HN 0.677 nan 8.230 nan 0.000 0.418 97 I N -1.773 118.909 120.570 0.187 0.000 3.204 97 I HA 0.456 4.626 4.170 -0.000 0.000 0.313 97 I C 0.496 176.588 176.117 -0.042 0.000 1.082 97 I CA -0.691 60.600 61.300 -0.016 0.000 1.033 97 I CB 0.826 38.745 38.000 -0.134 0.000 1.304 97 I HN 0.545 nan 8.210 nan 0.000 0.536 98 D N 1.290 121.681 120.400 -0.016 0.000 2.289 98 D HA -0.015 4.625 4.640 -0.000 0.000 0.207 98 D C 1.730 178.113 176.300 0.139 0.000 0.966 98 D CA 0.953 54.995 54.000 0.070 0.000 0.868 98 D CB -0.333 40.512 40.800 0.075 0.000 0.943 98 D HN 0.630 nan 8.370 nan 0.000 0.514 99 A N 0.070 122.877 122.820 -0.021 0.000 2.248 99 A HA -0.127 4.193 4.320 -0.000 0.000 0.210 99 A C 0.958 178.371 177.584 -0.285 0.000 1.174 99 A CA 0.568 52.564 52.037 -0.068 0.000 0.750 99 A CB -1.100 17.811 19.000 -0.147 0.000 0.780 99 A HN 0.458 nan 8.150 nan 0.000 0.478 100 H N -0.969 118.049 119.070 -0.087 0.000 2.567 100 H HA 0.015 4.571 4.556 -0.000 0.000 0.294 100 H C 1.437 176.677 175.328 -0.146 0.000 1.050 100 H CA -0.142 55.798 56.048 -0.179 0.000 1.168 100 H CB -0.068 29.623 29.762 -0.118 0.000 1.422 100 H HN 0.911 nan 8.280 nan 0.000 0.562 101 W N 0.354 121.677 121.300 0.039 0.000 2.364 101 W HA -0.014 4.646 4.660 -0.000 0.000 0.281 101 W C -1.731 174.778 176.519 -0.016 0.000 1.219 101 W CA 0.164 57.513 57.345 0.007 0.000 1.220 101 W CB -1.876 27.575 29.460 -0.015 0.000 1.127 101 W HN 0.166 nan 8.180 nan 0.000 0.556 102 P HA -0.129 nan 4.420 nan 0.000 0.228 102 P C 1.987 179.105 177.300 -0.303 0.000 1.151 102 P CA 1.357 64.117 63.100 -0.567 0.000 0.770 102 P CB -0.437 30.819 31.700 -0.741 0.000 0.786 103 L N -1.321 119.839 121.223 -0.105 0.000 2.131 103 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 103 L C 2.190 179.066 176.870 0.011 0.000 1.092 103 L CA 1.158 56.011 54.840 0.023 0.000 0.759 103 L CB -0.670 41.404 42.059 0.026 0.000 0.903 103 L HN -0.018 nan 8.230 nan 0.000 0.435 104 I N -0.496 120.087 120.570 0.021 0.000 2.118 104 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 104 I C 2.565 178.684 176.117 0.003 0.000 1.070 104 I CA 1.322 62.647 61.300 0.042 0.000 1.327 104 I CB -0.388 37.666 38.000 0.091 0.000 1.034 104 I HN 0.263 nan 8.210 nan 0.000 0.405 105 E N 0.085 120.244 120.200 -0.067 0.000 2.110 105 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 105 E C 2.179 178.732 176.600 -0.078 0.000 0.988 105 E CA 1.258 57.599 56.400 -0.098 0.000 0.804 105 E CB -0.477 29.125 29.700 -0.162 0.000 0.745 105 E HN 0.601 nan 8.360 nan 0.000 0.458 106 H N 0.419 119.494 119.070 0.008 0.000 2.353 106 H HA -0.020 4.536 4.556 -0.000 0.000 0.300 106 H C 2.381 177.719 175.328 0.017 0.000 1.090 106 H CA 0.847 56.898 56.048 0.004 0.000 1.327 106 H CB -0.315 29.436 29.762 -0.019 0.000 1.383 106 H HN 0.169 nan 8.280 nan 0.000 0.508 107 I N 0.753 121.399 120.570 0.126 0.000 2.252 107 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 107 I C 2.410 178.566 176.117 0.064 0.000 1.102 107 I CA 1.088 62.438 61.300 0.083 0.000 1.385 107 I CB -0.150 37.887 38.000 0.063 0.000 1.064 107 I HN 0.099 nan 8.210 nan 0.000 0.414 108 K N 0.606 121.037 120.400 0.051 0.000 2.147 108 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 108 K C 1.378 178.005 176.600 0.045 0.000 1.049 108 K CA 1.141 57.452 56.287 0.040 0.000 0.936 108 K CB -0.142 32.375 32.500 0.028 0.000 0.722 108 K HN 0.291 nan 8.250 nan 0.000 0.446 109 N N -0.508 118.228 118.700 0.060 0.000 2.398 109 N HA 0.009 4.749 4.740 -0.000 0.000 0.188 109 N C 0.792 176.343 175.510 0.068 0.000 1.122 109 N CA 0.908 53.996 53.050 0.064 0.000 0.866 109 N CB 1.096 39.632 38.487 0.080 0.000 0.970 109 N HN 0.365 nan 8.380 nan 0.000 0.462 110 G N -0.160 108.682 108.800 0.071 0.000 2.157 110 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.248 110 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.248 110 G C 1.005 175.951 174.900 0.078 0.000 0.979 110 G CA 0.463 45.602 45.100 0.066 0.000 0.650 110 G HN 0.210 nan 8.290 nan 0.000 0.529 111 V N -0.801 119.168 119.914 0.093 0.000 2.490 111 V HA 0.039 4.159 4.120 -0.000 0.000 0.250 111 V C 1.501 177.641 176.094 0.076 0.000 1.061 111 V CA 1.904 64.258 62.300 0.089 0.000 1.064 111 V CB -0.013 31.849 31.823 0.065 0.000 0.670 111 V HN 0.392 nan 8.190 nan 0.000 0.461 112 V N 0.566 120.526 119.914 0.077 0.000 2.531 112 V HA 0.372 4.492 4.120 -0.000 0.000 0.301 112 V C 0.774 176.908 176.094 0.067 0.000 1.034 112 V CA -0.587 61.755 62.300 0.069 0.000 0.865 112 V CB 1.831 33.692 31.823 0.064 0.000 0.995 112 V HN 0.527 nan 8.190 nan 0.000 0.424 113 R N 2.964 123.504 120.500 0.067 0.000 2.307 113 R HA 0.389 4.729 4.340 -0.000 0.000 0.200 113 R C 0.350 176.686 176.300 0.060 0.000 0.893 113 R CA -0.158 55.978 56.100 0.060 0.000 1.042 113 R CB 0.636 30.971 30.300 0.058 0.000 1.059 113 R HN 0.526 nan 8.270 nan 0.000 0.530 114 Q N 0.957 120.804 119.800 0.077 0.000 2.315 114 Q HA 0.516 4.856 4.340 -0.000 0.000 0.273 114 Q C -1.765 174.304 176.000 0.115 0.000 1.053 114 Q CA -0.558 55.300 55.803 0.092 0.000 0.817 114 Q CB 2.119 30.944 28.738 0.144 0.000 1.326 114 Q HN 0.286 nan 8.270 nan 0.000 0.423 115 I N 3.752 124.367 120.570 0.075 0.000 2.466 115 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 115 I C -1.173 174.984 176.117 0.066 0.000 1.026 115 I CA -0.879 60.474 61.300 0.089 0.000 1.078 115 I CB 1.511 39.526 38.000 0.026 0.000 1.249 115 I HN 0.663 nan 8.210 nan 0.000 0.429 116 Y N 3.976 124.295 120.300 0.033 0.000 2.335 116 Y HA 0.558 5.108 4.550 -0.000 0.000 0.338 116 Y C 0.359 176.242 175.900 -0.028 0.000 0.977 116 Y CA -0.256 57.863 58.100 0.031 0.000 1.114 116 Y CB 2.197 40.750 38.460 0.155 0.000 1.182 116 Y HN 0.445 nan 8.280 nan 0.000 0.463 117 T N 0.155 114.586 114.554 -0.205 0.000 2.802 117 T HA 0.214 4.564 4.350 -0.000 0.000 0.311 117 T C 0.322 174.666 174.700 -0.594 0.000 1.405 117 T CA -0.064 61.876 62.100 -0.266 0.000 1.016 117 T CB 1.179 69.991 68.868 -0.093 0.000 1.352 117 T HN 0.551 nan 8.240 nan 0.000 0.498 118 S N 0.717 116.248 115.700 -0.281 0.000 2.502 118 S HA 0.460 4.930 4.470 -0.000 0.000 0.215 118 S C 0.807 175.327 174.600 -0.134 0.000 1.009 118 S CA 0.497 58.593 58.200 -0.174 0.000 0.908 118 S CB 0.149 63.381 63.200 0.053 0.000 0.801 118 S HN 1.070 nan 8.310 nan 0.000 0.505 119 G N 0.579 109.314 108.800 -0.109 0.000 2.638 119 G HA2 0.682 4.642 3.960 -0.000 0.000 0.302 119 G HA3 0.682 4.642 3.960 -0.000 0.000 0.302 119 G C -1.840 173.036 174.900 -0.040 0.000 1.365 119 G CA -0.683 44.376 45.100 -0.068 0.000 0.987 119 G HN 0.331 nan 8.290 nan 0.000 0.495 120 L N 2.357 123.566 121.223 -0.024 0.000 2.491 120 L HA 0.567 4.907 4.340 -0.000 0.000 0.267 120 L C 0.057 176.935 176.870 0.012 0.000 0.971 120 L CA -0.824 54.016 54.840 -0.000 0.000 0.857 120 L CB 1.602 43.653 42.059 -0.014 0.000 1.226 120 L HN 0.809 nan 8.230 nan 0.000 0.408 121 R N 2.191 122.710 120.500 0.032 0.000 3.045 121 R HA 0.878 5.218 4.340 -0.000 0.000 0.245 121 R C 0.228 176.557 176.300 0.048 0.000 1.333 121 R CA -0.244 55.875 56.100 0.032 0.000 1.036 121 R CB 0.711 31.027 30.300 0.027 0.000 1.340 121 R HN 0.512 nan 8.270 nan 0.000 0.488 122 G N 0.784 109.608 108.800 0.041 0.000 2.569 122 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.259 122 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.259 122 G C 0.342 175.272 174.900 0.050 0.000 1.263 122 G CA 0.477 45.608 45.100 0.051 0.000 0.928 122 G HN 0.597 nan 8.290 nan 0.000 0.572 123 K N -0.632 119.808 120.400 0.067 0.000 2.148 123 K HA 0.018 4.338 4.320 -0.000 0.000 0.204 123 K C 2.673 179.319 176.600 0.076 0.000 1.050 123 K CA 1.421 57.738 56.287 0.050 0.000 0.942 123 K CB -0.220 32.294 32.500 0.023 0.000 0.724 123 K HN 0.328 nan 8.250 nan 0.000 0.446 124 L N 0.697 121.988 121.223 0.113 0.000 2.046 124 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 124 L C 2.076 178.980 176.870 0.057 0.000 1.077 124 L CA 2.002 56.898 54.840 0.094 0.000 0.747 124 L CB -0.964 41.160 42.059 0.108 0.000 0.896 124 L HN 0.149 nan 8.230 nan 0.000 0.432 125 G N -1.267 107.562 108.800 0.048 0.000 2.418 125 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 125 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 125 G C 1.433 176.348 174.900 0.026 0.000 1.158 125 G CA 0.783 45.901 45.100 0.029 0.000 0.771 125 G HN 0.527 nan 8.290 nan 0.000 0.545 126 E N 0.252 120.466 120.200 0.025 0.000 2.058 126 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 126 E C 2.524 179.135 176.600 0.019 0.000 0.997 126 E CA 1.123 57.533 56.400 0.016 0.000 0.801 126 E CB -0.021 29.683 29.700 0.006 0.000 0.746 126 E HN 0.366 nan 8.360 nan 0.000 0.450 127 E N 0.481 120.696 120.200 0.026 0.000 2.106 127 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 127 E C 2.188 178.803 176.600 0.025 0.000 0.984 127 E CA 0.586 57.001 56.400 0.026 0.000 0.806 127 E CB -0.078 29.644 29.700 0.036 0.000 0.750 127 E HN 0.286 nan 8.360 nan 0.000 0.458 128 I N 1.253 121.838 120.570 0.026 0.000 2.208 128 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 128 I C 2.219 178.349 176.117 0.022 0.000 1.097 128 I CA 1.065 62.377 61.300 0.020 0.000 1.363 128 I CB -1.150 36.858 38.000 0.013 0.000 1.051 128 I HN -0.041 nan 8.210 nan 0.000 0.413 129 S N 0.810 116.527 115.700 0.028 0.000 2.402 129 S HA -0.037 4.433 4.470 -0.000 0.000 0.229 129 S C 2.111 176.736 174.600 0.042 0.000 1.021 129 S CA 1.133 59.359 58.200 0.043 0.000 0.974 129 S CB -0.131 63.099 63.200 0.049 0.000 0.800 129 S HN 0.554 nan 8.310 nan 0.000 0.484 130 A N 0.332 123.168 122.820 0.027 0.000 2.067 130 A HA 0.459 4.779 4.320 -0.000 0.000 0.217 130 A C 1.436 179.033 177.584 0.022 0.000 1.156 130 A CA 0.914 52.963 52.037 0.020 0.000 0.683 130 A CB -0.423 18.583 19.000 0.011 0.000 0.808 130 A HN 0.917 nan 8.150 nan 0.000 0.455 131 G N -1.241 107.573 108.800 0.023 0.000 2.337 131 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.134 131 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.134 131 G C -0.135 174.777 174.900 0.018 0.000 1.052 131 G CA -0.028 45.084 45.100 0.021 0.000 0.737 131 G HN 0.685 nan 8.290 nan 0.000 0.485 135 N N 3.767 122.471 118.700 0.007 0.000 2.475 135 N HA 0.196 4.936 4.740 -0.000 0.000 0.267 135 N C -2.651 172.847 175.510 -0.021 0.000 1.169 135 N CA -1.053 51.996 53.050 -0.003 0.000 0.947 135 N CB 1.033 39.524 38.487 0.007 0.000 1.061 135 N HN 0.026 nan 8.380 nan 0.000 0.466 136 P HA 0.008 nan 4.420 nan 0.000 0.268 136 P C -0.400 176.842 177.300 -0.096 0.000 1.204 136 P CA -0.232 62.834 63.100 -0.057 0.000 0.768 136 P CB 0.619 32.284 31.700 -0.059 0.000 0.842 137 V N 4.321 124.176 119.914 -0.097 0.000 2.673 137 V HA -0.034 4.086 4.120 -0.000 0.000 0.303 137 V C 0.774 176.739 176.094 -0.215 0.000 1.046 137 V CA 0.251 62.466 62.300 -0.142 0.000 1.126 137 V CB -0.001 31.762 31.823 -0.101 0.000 0.934 137 V HN 0.469 nan 8.190 nan 0.000 0.487 138 Q N 4.555 124.129 119.800 -0.376 0.000 2.349 138 Q HA 0.491 4.831 4.340 -0.000 0.000 0.254 138 Q C -0.554 175.259 176.000 -0.312 0.000 0.980 138 Q CA -0.036 55.505 55.803 -0.436 0.000 0.924 138 Q CB 1.588 29.735 28.738 -0.986 0.000 1.209 138 Q HN 0.610 nan 8.270 nan 0.000 0.445 139 I N 4.481 124.931 120.570 -0.199 0.000 2.321 139 I HA 0.188 4.358 4.170 -0.000 0.000 0.291 139 I C -0.213 175.840 176.117 -0.107 0.000 0.998 139 I CA -0.706 60.468 61.300 -0.208 0.000 1.227 139 I CB 0.701 38.619 38.000 -0.138 0.000 1.368 139 I HN 0.568 nan 8.210 nan 0.000 0.466 140 H N 2.961 122.044 119.070 0.022 0.000 2.797 140 H HA 0.635 5.191 4.556 -0.000 0.000 0.372 140 H C -0.231 175.106 175.328 0.016 0.000 1.168 140 H CA -1.357 54.713 56.048 0.037 0.000 1.163 140 H CB 0.756 30.573 29.762 0.093 0.000 1.778 140 H HN 0.475 nan 8.280 nan 0.000 0.551 141 S N 0.171 115.987 115.700 0.194 0.000 2.596 141 S HA -0.020 4.450 4.470 -0.000 0.000 0.260 141 S C 0.681 175.433 174.600 0.254 0.000 1.336 141 S CA -0.304 57.964 58.200 0.112 0.000 0.993 141 S CB 0.342 63.544 63.200 0.004 0.000 0.923 141 S HN 0.745 nan 8.310 nan 0.000 0.567 142 H N 1.557 120.756 119.070 0.215 0.000 2.319 142 H HA -0.012 4.544 4.556 -0.000 0.000 0.299 142 H C 2.336 177.762 175.328 0.163 0.000 1.092 142 H CA 1.846 58.053 56.048 0.264 0.000 1.302 142 H CB -1.075 28.954 29.762 0.444 0.000 1.373 142 H HN 0.830 nan 8.280 nan 0.000 0.497 143 G N -0.538 108.392 108.800 0.217 0.000 2.448 143 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 143 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 143 G C 2.012 176.907 174.900 -0.009 0.000 1.135 143 G CA 0.682 45.822 45.100 0.067 0.000 0.784 143 G HN 0.532 nan 8.290 nan 0.000 0.543 144 G N 0.372 109.163 108.800 -0.016 0.000 2.422 144 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 144 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 144 G C 1.704 176.526 174.900 -0.129 0.000 1.140 144 G CA 0.868 45.939 45.100 -0.050 0.000 0.775 144 G HN 0.453 nan 8.290 nan 0.000 0.545 145 R N 0.085 120.409 120.500 -0.293 0.000 2.080 145 R HA -0.099 4.241 4.340 -0.000 0.000 0.236 145 R C 2.631 178.777 176.300 -0.256 0.000 1.137 145 R CA 1.903 57.674 56.100 -0.549 0.000 0.943 145 R CB -0.497 29.435 30.300 -0.612 0.000 0.846 145 R HN 0.235 nan 8.270 nan 0.000 0.431 146 V N 1.670 121.495 119.914 -0.148 0.000 2.332 146 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 146 V C 2.501 178.475 176.094 -0.200 0.000 1.055 146 V CA 2.342 64.553 62.300 -0.149 0.000 1.038 146 V CB -0.693 31.091 31.823 -0.063 0.000 0.651 146 V HN 0.451 nan 8.190 nan 0.000 0.450 147 K N 0.217 120.534 120.400 -0.139 0.000 2.057 147 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 147 K C 2.134 178.658 176.600 -0.127 0.000 1.049 147 K CA 1.547 57.762 56.287 -0.120 0.000 0.931 147 K CB -0.269 32.186 32.500 -0.074 0.000 0.714 147 K HN 0.427 nan 8.250 nan 0.000 0.440 148 L N 0.823 121.977 121.223 -0.115 0.000 2.127 148 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 148 L C 2.416 179.189 176.870 -0.162 0.000 1.089 148 L CA 1.104 55.887 54.840 -0.095 0.000 0.757 148 L CB -0.417 41.615 42.059 -0.044 0.000 0.899 148 L HN 0.266 nan 8.230 nan 0.000 0.434 149 I N -0.599 119.829 120.570 -0.236 0.000 2.193 149 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 149 I C 2.608 178.514 176.117 -0.353 0.000 1.084 149 I CA 1.252 62.370 61.300 -0.303 0.000 1.365 149 I CB -0.260 37.514 38.000 -0.377 0.000 1.064 149 I HN 0.285 nan 8.210 nan 0.000 0.410 150 Q N 0.291 119.829 119.800 -0.437 0.000 2.170 150 Q HA -0.183 4.157 4.340 -0.000 0.000 0.203 150 Q C 2.185 178.091 176.000 -0.157 0.000 0.976 150 Q CA 1.878 57.473 55.803 -0.346 0.000 0.858 150 Q CB -0.199 28.372 28.738 -0.279 0.000 0.907 150 Q HN 0.568 nan 8.270 nan 0.000 0.433 151 S N -1.235 114.387 115.700 -0.130 0.000 2.562 151 S HA 0.135 4.605 4.470 -0.000 0.000 0.221 151 S C 1.489 176.055 174.600 -0.056 0.000 0.975 151 S CA 0.472 58.630 58.200 -0.070 0.000 0.918 151 S CB 0.324 63.495 63.200 -0.048 0.000 0.772 151 S HN 0.532 nan 8.310 nan 0.000 0.531 152 G N 1.244 109.997 108.800 -0.078 0.000 2.179 152 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.260 152 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.260 152 G C 0.621 175.487 174.900 -0.056 0.000 0.977 152 G CA 0.598 45.663 45.100 -0.058 0.000 0.641 152 G HN 0.610 nan 8.290 nan 0.000 0.533 153 E N -0.728 119.437 120.200 -0.058 0.000 2.046 153 E HA 0.073 4.423 4.350 -0.000 0.000 0.190 153 E C 0.956 177.486 176.600 -0.117 0.000 0.982 153 E CA 0.659 57.035 56.400 -0.040 0.000 0.800 153 E CB -0.036 29.672 29.700 0.012 0.000 0.756 153 E HN 0.523 nan 8.360 nan 0.000 0.449 154 L N 2.839 123.942 121.223 -0.201 0.000 2.272 154 L HA 0.297 4.637 4.340 -0.000 0.000 0.284 154 L C -1.507 175.237 176.870 -0.210 0.000 1.045 154 L CA -0.336 54.306 54.840 -0.330 0.000 0.842 154 L CB 1.017 42.791 42.059 -0.475 0.000 1.224 154 L HN -0.039 nan 8.230 nan 0.000 0.430 155 N N 6.660 125.265 118.700 -0.157 0.000 2.469 155 N HA 0.374 5.114 4.740 -0.000 0.000 0.253 155 N C -0.708 174.745 175.510 -0.095 0.000 0.970 155 N CA -0.280 52.710 53.050 -0.100 0.000 0.940 155 N CB 1.814 40.261 38.487 -0.066 0.000 1.128 155 N HN 0.502 nan 8.380 nan 0.000 0.503 156 I N 1.719 122.238 120.570 -0.084 0.000 2.352 156 I HA 0.071 4.241 4.170 -0.000 0.000 0.290 156 I C 1.249 177.313 176.117 -0.089 0.000 1.036 156 I CA -0.288 60.959 61.300 -0.088 0.000 1.336 156 I CB 0.956 38.905 38.000 -0.085 0.000 1.407 156 I HN 0.352 nan 8.210 nan 0.000 0.497 157 D N 4.862 125.202 120.400 -0.099 0.000 2.149 157 D HA 0.030 4.670 4.640 -0.000 0.000 0.206 157 D C 0.244 176.445 176.300 -0.165 0.000 0.967 157 D CA 1.486 55.423 54.000 -0.105 0.000 0.848 157 D CB 0.533 41.284 40.800 -0.081 0.000 0.998 157 D HN 0.206 nan 8.370 nan 0.000 0.474 158 V N 0.984 120.760 119.914 -0.229 0.000 2.525 158 V HA 0.519 4.639 4.120 -0.000 0.000 0.299 158 V C -0.415 175.350 176.094 -0.549 0.000 1.034 158 V CA -1.056 60.995 62.300 -0.415 0.000 0.863 158 V CB 1.660 33.177 31.823 -0.510 0.000 0.999 158 V HN 0.104 nan 8.190 nan 0.000 0.423 159 A N 4.711 127.210 122.820 -0.535 0.000 2.301 159 A HA 0.844 5.164 4.320 -0.000 0.000 0.298 159 A C -0.888 176.267 177.584 -0.714 0.000 1.185 159 A CA -0.175 51.567 52.037 -0.491 0.000 0.830 159 A CB 0.139 18.987 19.000 -0.253 0.000 1.112 159 A HN 0.648 nan 8.150 nan 0.000 0.508 160 F N 2.943 122.632 119.950 -0.435 0.000 2.293 160 F HA 0.378 4.906 4.527 0.000 0.000 0.370 160 F C -0.153 175.566 175.800 -0.136 0.000 1.090 160 F CA -0.248 57.544 58.000 -0.346 0.000 1.133 160 F CB 1.007 39.675 39.000 -0.553 0.000 1.360 160 F HN 0.333 nan 8.300 nan 0.000 0.489 161 L N 3.424 124.708 121.223 0.102 0.000 2.277 161 L HA 0.521 4.861 4.340 -0.000 0.000 0.284 161 L C 0.763 177.791 176.870 0.263 0.000 1.028 161 L CA -0.831 54.150 54.840 0.234 0.000 0.835 161 L CB 1.107 43.248 42.059 0.138 0.000 1.215 161 L HN 0.626 nan 8.230 nan 0.000 0.425 162 G N 2.854 111.879 108.800 0.375 0.000 2.378 162 G HA2 0.456 4.416 3.960 -0.000 0.000 0.255 162 G HA3 0.456 4.416 3.960 -0.000 0.000 0.255 162 G C -0.227 174.967 174.900 0.490 0.000 1.270 162 G CA -0.159 45.125 45.100 0.307 0.000 0.876 162 G HN 0.478 nan 8.290 nan 0.000 0.521 163 V N 0.446 120.492 119.914 0.220 0.000 2.971 163 V HA 0.668 4.788 4.120 -0.000 0.000 0.309 163 V C -2.198 173.935 176.094 0.064 0.000 1.130 163 V CA -2.046 60.364 62.300 0.183 0.000 0.964 163 V CB 2.524 34.359 31.823 0.021 0.000 1.029 163 V HN 0.448 nan 8.190 nan 0.000 0.427 164 P HA 0.130 nan 4.420 nan 0.000 0.227 164 P C 0.459 177.718 177.300 -0.067 0.000 1.161 164 P CA 0.908 64.004 63.100 -0.005 0.000 0.788 164 P CB 0.059 31.787 31.700 0.046 0.000 0.822 165 C N -2.322 116.932 119.300 -0.077 0.000 3.086 165 C HA 0.832 5.292 4.460 -0.000 0.000 0.311 165 C C -1.071 173.871 174.990 -0.079 0.000 1.260 165 C CA -1.033 57.935 59.018 -0.083 0.000 1.426 165 C CB 0.843 28.564 27.740 -0.032 0.000 1.826 165 C HN 0.293 nan 8.230 nan 0.000 0.474 166 C N 3.189 122.455 119.300 -0.056 0.000 3.171 166 C HA 0.782 5.242 4.460 -0.000 0.000 0.336 166 C C -1.115 173.989 174.990 0.190 0.000 1.198 166 C CA -0.001 59.025 59.018 0.013 0.000 1.319 166 C CB 1.676 29.362 27.740 -0.090 0.000 1.682 166 C HN 1.197 nan 8.230 nan 0.000 0.497 167 D N 1.411 121.966 120.400 0.258 0.000 2.387 167 D HA 0.242 4.882 4.640 -0.000 0.000 0.255 167 D C 0.833 177.434 176.300 0.501 0.000 1.081 167 D CA -0.411 53.824 54.000 0.393 0.000 0.994 167 D CB 0.445 41.457 40.800 0.353 0.000 1.127 167 D HN 0.699 nan 8.370 nan 0.000 0.513 168 E N -0.498 119.963 120.200 0.435 0.000 2.233 168 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 168 E C 1.109 177.943 176.600 0.390 0.000 1.004 168 E CA 1.054 57.629 56.400 0.292 0.000 0.819 168 E CB -0.143 29.608 29.700 0.085 0.000 0.738 168 E HN 0.589 nan 8.360 nan 0.000 0.478 169 F N -1.738 118.326 119.950 0.189 0.000 2.746 169 F HA 0.192 4.719 4.527 -0.000 0.000 0.297 169 F C 1.313 177.192 175.800 0.131 0.000 1.113 169 F CA 0.269 58.344 58.000 0.126 0.000 1.367 169 F CB 1.238 40.336 39.000 0.164 0.000 1.111 169 F HN 0.204 nan 8.300 nan 0.000 0.590 170 G N 0.437 109.401 108.800 0.274 0.000 2.159 170 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.170 170 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.170 170 G C -0.555 174.403 174.900 0.097 0.000 1.007 170 G CA -0.622 44.552 45.100 0.124 0.000 0.672 170 G HN 0.182 nan 8.290 nan 0.000 0.507 171 N N 1.457 120.252 118.700 0.157 0.000 2.420 171 N HA 0.570 5.309 4.740 -0.000 0.000 0.262 171 N C 0.257 175.786 175.510 0.031 0.000 1.144 171 N CA 0.984 54.080 53.050 0.076 0.000 0.952 171 N CB 1.553 40.083 38.487 0.071 0.000 1.081 171 N HN 0.788 nan 8.380 nan 0.000 0.480 172 A N 2.674 125.474 122.820 -0.032 0.000 2.423 172 A HA 0.743 5.063 4.320 -0.000 0.000 0.304 172 A C -0.223 177.263 177.584 -0.163 0.000 1.104 172 A CA -0.737 51.253 52.037 -0.078 0.000 0.757 172 A CB 1.278 20.230 19.000 -0.079 0.000 1.313 172 A HN 0.810 nan 8.150 nan 0.000 0.423 173 N N -1.305 117.258 118.700 -0.228 0.000 3.243 173 N HA 0.561 5.301 4.740 -0.000 0.000 0.280 173 N C -0.003 175.196 175.510 -0.518 0.000 1.545 173 N CA -0.144 52.631 53.050 -0.458 0.000 0.854 173 N CB 0.800 38.950 38.487 -0.562 0.000 1.612 173 N HN 0.623 nan 8.380 nan 0.000 0.577 174 G N -1.445 106.808 108.800 -0.912 0.000 3.805 174 G HA2 0.278 4.238 3.960 -0.000 0.000 0.290 174 G HA3 0.278 4.238 3.960 -0.000 0.000 0.290 174 G C -0.772 173.860 174.900 -0.447 0.000 1.077 174 G CA -0.244 44.508 45.100 -0.581 0.000 0.852 174 G HN 0.389 nan 8.290 nan 0.000 0.531 175 F N -0.020 119.890 119.950 -0.067 0.000 2.724 175 F HA 0.433 4.960 4.527 0.000 0.000 0.306 175 F C 1.174 176.952 175.800 -0.036 0.000 1.100 175 F CA -0.899 57.061 58.000 -0.066 0.000 1.255 175 F CB 0.470 39.413 39.000 -0.096 0.000 1.072 175 F HN 0.075 nan 8.300 nan 0.000 0.589 176 S N -1.382 114.377 115.700 0.097 0.000 2.671 176 S HA 0.758 5.228 4.470 -0.000 0.000 0.299 176 S C 0.073 174.688 174.600 0.026 0.000 1.116 176 S CA 0.032 58.272 58.200 0.066 0.000 0.912 176 S CB 1.300 64.540 63.200 0.066 0.000 1.130 176 S HN 0.643 nan 8.310 nan 0.000 0.501 177 G N 2.024 110.837 108.800 0.022 0.000 2.512 177 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.210 177 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.210 177 G C 0.041 174.948 174.900 0.011 0.000 1.295 177 G CA 0.366 45.467 45.100 0.002 0.000 0.934 177 G HN 0.690 nan 8.290 nan 0.000 0.554 178 K N -0.226 120.172 120.400 -0.003 0.000 2.102 178 K HA 0.274 4.594 4.320 -0.000 0.000 0.206 178 K C 1.568 178.186 176.600 0.029 0.000 1.031 178 K CA 1.130 57.419 56.287 0.004 0.000 0.962 178 K CB -0.053 32.435 32.500 -0.020 0.000 0.811 178 K HN 0.284 nan 8.250 nan 0.000 0.453 179 S N 2.758 118.478 115.700 0.033 0.000 4.139 179 S HA 0.157 4.627 4.470 -0.000 0.000 0.215 179 S C -0.426 174.298 174.600 0.207 0.000 1.390 179 S CA -0.201 58.069 58.200 0.117 0.000 0.885 179 S CB -0.269 62.960 63.200 0.049 0.000 1.560 179 S HN 0.150 nan 8.310 nan 0.000 0.449 180 R N 1.240 121.813 120.500 0.121 0.000 2.612 180 R HA 0.093 4.433 4.340 -0.000 0.000 0.273 180 R C 1.196 177.537 176.300 0.068 0.000 1.376 180 R CA -0.275 55.878 56.100 0.087 0.000 1.171 180 R CB -0.596 29.754 30.300 0.084 0.000 1.151 180 R HN 0.737 nan 8.270 nan 0.000 0.560 181 C N -0.153 119.159 119.300 0.021 0.000 2.495 181 C HA 0.349 4.809 4.460 -0.000 0.000 0.275 181 C C 1.459 176.378 174.990 -0.118 0.000 1.392 181 C CA 0.150 59.119 59.018 -0.082 0.000 1.766 181 C CB -0.731 26.818 27.740 -0.318 0.000 1.933 181 C HN 0.948 nan 8.230 nan 0.000 0.519 182 G N 0.697 109.431 108.800 -0.110 0.000 2.742 182 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.255 182 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.255 182 G C 0.075 174.844 174.900 -0.217 0.000 1.322 182 G CA 0.264 45.340 45.100 -0.041 0.000 0.967 182 G HN 1.122 nan 8.290 nan 0.000 0.556 183 S N 0.410 115.999 115.700 -0.184 0.000 2.533 183 S HA 0.485 4.955 4.470 -0.000 0.000 0.282 183 S C 1.114 175.508 174.600 -0.345 0.000 1.304 183 S CA 0.150 58.206 58.200 -0.240 0.000 1.063 183 S CB 0.201 63.266 63.200 -0.225 0.000 0.881 183 S HN 0.756 nan 8.310 nan 0.000 0.493 184 L N 5.154 126.155 121.223 -0.369 0.000 2.928 184 L HA 0.298 4.638 4.340 -0.000 0.000 0.246 184 L C 2.063 178.704 176.870 -0.382 0.000 1.239 184 L CA -0.201 54.381 54.840 -0.431 0.000 1.035 184 L CB -0.353 41.445 42.059 -0.436 0.000 1.360 184 L HN 0.927 nan 8.230 nan 0.000 0.529 185 G N -0.264 108.302 108.800 -0.391 0.000 2.450 185 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 185 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 185 G C 1.132 175.760 174.900 -0.454 0.000 1.130 185 G CA 0.865 45.710 45.100 -0.425 0.000 0.760 185 G HN 0.326 nan 8.290 nan 0.000 0.557 186 Y N 0.974 121.134 120.300 -0.233 0.000 2.220 186 Y HA 0.156 4.706 4.550 0.000 0.000 0.291 186 Y C 3.094 178.923 175.900 -0.118 0.000 1.129 186 Y CA 0.573 58.590 58.100 -0.139 0.000 1.161 186 Y CB -0.611 37.786 38.460 -0.105 0.000 0.997 186 Y HN 0.232 nan 8.280 nan 0.000 0.522 187 A N 0.094 122.828 122.820 -0.145 0.000 1.972 187 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 187 A C 2.065 179.581 177.584 -0.113 0.000 1.169 187 A CA 1.658 53.590 52.037 -0.175 0.000 0.635 187 A CB -0.691 18.038 19.000 -0.452 0.000 0.810 187 A HN 0.560 nan 8.150 nan 0.000 0.446 188 Q N -0.532 119.183 119.800 -0.141 0.000 2.226 188 Q HA -0.114 4.226 4.340 -0.000 0.000 0.204 188 Q C 2.018 177.988 176.000 -0.049 0.000 0.975 188 Q CA 1.468 57.203 55.803 -0.113 0.000 0.866 188 Q CB -0.320 28.337 28.738 -0.136 0.000 0.915 188 Q HN 0.556 nan 8.270 nan 0.000 0.440 189 V N 1.174 121.093 119.914 0.008 0.000 2.323 189 V HA -0.222 3.898 4.120 -0.000 0.000 0.244 189 V C 1.235 177.418 176.094 0.148 0.000 1.041 189 V CA 2.028 64.398 62.300 0.116 0.000 1.025 189 V CB -0.408 31.488 31.823 0.121 0.000 0.656 189 V HN 0.312 nan 8.190 nan 0.000 0.451 190 D N 1.028 121.471 120.400 0.072 0.000 2.117 190 D HA -0.078 4.562 4.640 -0.000 0.000 0.198 190 D C 2.205 178.492 176.300 -0.021 0.000 0.982 190 D CA 1.435 55.458 54.000 0.038 0.000 0.828 190 D CB -0.557 40.251 40.800 0.013 0.000 0.967 190 D HN 0.386 nan 8.370 nan 0.000 0.464 191 A N 0.404 123.191 122.820 -0.055 0.000 1.958 191 A HA -0.300 4.020 4.320 -0.000 0.000 0.221 191 A C 2.157 179.664 177.584 -0.128 0.000 1.178 191 A CA 1.986 53.965 52.037 -0.096 0.000 0.642 191 A CB -0.585 18.352 19.000 -0.104 0.000 0.816 191 A HN 0.166 nan 8.150 nan 0.000 0.453 192 Q N -2.683 117.022 119.800 -0.159 0.000 2.339 192 Q HA 0.083 4.423 4.340 -0.000 0.000 0.205 192 Q C 1.159 176.900 176.000 -0.432 0.000 0.925 192 Q CA 1.277 56.882 55.803 -0.330 0.000 0.898 192 Q CB -0.071 28.384 28.738 -0.471 0.000 1.013 192 Q HN 0.770 nan 8.270 nan 0.000 0.504 193 Y N -1.172 119.086 120.300 -0.071 0.000 2.498 193 Y HA 0.514 5.064 4.550 -0.000 0.000 0.259 193 Y C 0.629 176.478 175.900 -0.084 0.000 1.086 193 Y CA -0.100 57.958 58.100 -0.070 0.000 1.287 193 Y CB 0.042 38.463 38.460 -0.064 0.000 1.146 193 Y HN -0.012 nan 8.280 nan 0.000 0.523 194 A N 1.050 123.888 122.820 0.029 0.000 2.483 194 A HA 0.085 4.405 4.320 -0.000 0.000 0.238 194 A C 1.295 178.837 177.584 -0.070 0.000 1.070 194 A CA -0.247 51.762 52.037 -0.047 0.000 0.770 194 A CB 0.461 19.396 19.000 -0.107 0.000 1.008 194 A HN 0.136 nan 8.150 nan 0.000 0.497 195 K N 0.172 120.525 120.400 -0.079 0.000 2.097 195 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 195 K C 0.487 177.020 176.600 -0.111 0.000 1.050 195 K CA 1.038 57.276 56.287 -0.081 0.000 0.938 195 K CB -0.663 31.797 32.500 -0.068 0.000 0.718 195 K HN 0.651 nan 8.250 nan 0.000 0.442 196 C N 1.048 120.257 119.300 -0.151 0.000 2.397 196 C HA 0.503 4.963 4.460 -0.000 0.000 0.325 196 C C -0.775 174.070 174.990 -0.241 0.000 1.201 196 C CA -0.807 58.101 59.018 -0.183 0.000 1.377 196 C CB 0.621 28.247 27.740 -0.189 0.000 2.038 196 C HN 0.040 nan 8.230 nan 0.000 0.457 197 V N 7.153 126.940 119.914 -0.212 0.000 2.328 197 V HA 0.399 4.519 4.120 -0.000 0.000 0.278 197 V C -0.047 175.919 176.094 -0.213 0.000 1.021 197 V CA -0.278 61.890 62.300 -0.221 0.000 0.838 197 V CB 1.458 33.184 31.823 -0.162 0.000 0.999 197 V HN 0.712 nan 8.190 nan 0.000 0.447 198 V N 7.127 126.874 119.914 -0.279 0.000 2.350 198 V HA 0.416 4.536 4.120 -0.000 0.000 0.276 198 V C 0.074 176.114 176.094 -0.091 0.000 1.028 198 V CA -0.424 61.762 62.300 -0.190 0.000 0.860 198 V CB 1.492 33.158 31.823 -0.262 0.000 0.990 198 V HN 0.614 nan 8.190 nan 0.000 0.453 199 L N 5.969 127.168 121.223 -0.040 0.000 2.312 199 L HA 0.505 4.845 4.340 -0.000 0.000 0.281 199 L C -0.810 176.063 176.870 0.005 0.000 1.070 199 L CA -0.626 54.208 54.840 -0.010 0.000 0.805 199 L CB 1.317 43.359 42.059 -0.028 0.000 1.174 199 L HN 0.420 nan 8.230 nan 0.000 0.434 200 L N 2.702 123.937 121.223 0.020 0.000 2.294 200 L HA 0.430 4.769 4.340 -0.000 0.000 0.283 200 L C 0.217 177.030 176.870 -0.094 0.000 1.015 200 L CA 0.203 55.031 54.840 -0.020 0.000 0.831 200 L CB 1.534 43.608 42.059 0.025 0.000 1.217 200 L HN 0.478 nan 8.230 nan 0.000 0.420 201 T N 0.606 115.033 114.554 -0.211 0.000 2.895 201 T HA 0.353 4.703 4.350 -0.000 0.000 0.283 201 T C 0.911 175.425 174.700 -0.310 0.000 1.014 201 T CA -0.338 61.586 62.100 -0.292 0.000 1.037 201 T CB 1.178 69.755 68.868 -0.485 0.000 1.006 201 T HN 0.764 nan 8.240 nan 0.000 0.468 202 E N 1.513 121.564 120.200 -0.247 0.000 2.250 202 E HA 0.141 4.491 4.350 -0.000 0.000 0.192 202 E C 0.380 176.841 176.600 -0.233 0.000 0.986 202 E CA 0.296 56.573 56.400 -0.204 0.000 0.849 202 E CB 0.505 30.120 29.700 -0.140 0.000 0.797 202 E HN 0.595 nan 8.360 nan 0.000 0.482 203 E N -0.392 119.632 120.200 -0.292 0.000 2.321 203 E HA 0.193 4.543 4.350 -0.000 0.000 0.278 203 E C -1.684 174.757 176.600 -0.266 0.000 0.902 203 E CA -0.615 55.655 56.400 -0.217 0.000 0.758 203 E CB 1.071 30.729 29.700 -0.071 0.000 1.213 203 E HN -0.059 nan 8.360 nan 0.000 0.426 204 W N 2.515 123.833 121.300 0.030 0.000 2.381 204 W HA 0.563 5.223 4.660 -0.000 0.000 0.329 204 W C -0.394 176.150 176.519 0.042 0.000 1.157 204 W CA -0.479 56.889 57.345 0.039 0.000 1.240 204 W CB 1.269 30.753 29.460 0.040 0.000 1.199 204 W HN 0.147 nan 8.180 nan 0.000 0.579 205 V N 1.655 121.768 119.914 0.332 0.000 2.925 205 V HA 0.183 4.303 4.120 -0.000 0.000 0.311 205 V C -0.390 175.825 176.094 0.200 0.000 1.104 205 V CA -1.418 61.003 62.300 0.201 0.000 0.954 205 V CB 2.127 34.031 31.823 0.136 0.000 1.022 205 V HN 0.468 nan 8.190 nan 0.000 0.427 206 E N 2.476 122.762 120.200 0.143 0.000 2.366 206 E HA 0.118 4.468 4.350 -0.000 0.000 0.266 206 E C -0.655 176.032 176.600 0.145 0.000 1.015 206 E CA -0.019 56.462 56.400 0.134 0.000 0.906 206 E CB 0.654 30.409 29.700 0.090 0.000 0.979 206 E HN 0.460 nan 8.360 nan 0.000 0.443 207 F N 5.976 125.953 119.950 0.046 0.000 2.572 207 F HA 0.091 4.618 4.527 -0.000 0.000 0.370 207 F C -1.579 174.230 175.800 0.015 0.000 1.103 207 F CA -1.457 56.562 58.000 0.031 0.000 1.286 207 F CB 0.467 39.450 39.000 -0.028 0.000 1.105 207 F HN 0.303 nan 8.300 nan 0.000 0.583 208 P HA 0.170 nan 4.420 nan 0.000 0.290 208 P C -1.349 175.765 177.300 -0.309 0.000 1.276 208 P CA -0.601 61.880 63.100 -1.031 0.000 0.808 208 P CB 1.034 32.078 31.700 -1.093 0.000 0.966 209 N N 2.200 120.805 118.700 -0.158 0.000 2.483 209 N HA 0.073 4.813 4.740 -0.000 0.000 0.264 209 N C -1.430 174.104 175.510 0.040 0.000 1.197 209 N CA 0.163 53.208 53.050 -0.007 0.000 0.927 209 N CB -0.170 38.336 38.487 0.032 0.000 1.065 209 N HN 0.446 nan 8.380 nan 0.000 0.461 210 Y N 3.683 123.958 120.300 -0.040 0.000 2.421 210 Y HA 0.519 5.069 4.550 -0.000 0.000 0.339 210 Y C -2.436 173.497 175.900 0.056 0.000 0.996 210 Y CA -2.115 55.975 58.100 -0.016 0.000 1.046 210 Y CB 1.357 39.791 38.460 -0.043 0.000 1.226 210 Y HN 0.566 nan 8.280 nan 0.000 0.445 211 P HA 0.283 nan 4.420 nan 0.000 0.269 211 P C -1.231 175.948 177.300 -0.202 0.000 1.209 211 P CA -0.098 62.622 63.100 -0.633 0.000 0.776 211 P CB 0.819 32.300 31.700 -0.365 0.000 0.876 212 A N 2.025 124.773 122.820 -0.121 0.000 3.095 212 A HA 0.262 4.582 4.320 -0.000 0.000 0.301 212 A C 1.470 178.993 177.584 -0.100 0.000 1.432 212 A CA -0.129 51.863 52.037 -0.075 0.000 1.140 212 A CB -0.708 18.282 19.000 -0.017 0.000 1.174 212 A HN 0.436 nan 8.150 nan 0.000 0.546 213 S N 0.956 116.565 115.700 -0.151 0.000 2.374 213 S HA -0.086 4.384 4.470 -0.000 0.000 0.227 213 S C 0.785 175.294 174.600 -0.152 0.000 1.037 213 S CA 1.173 59.270 58.200 -0.172 0.000 1.024 213 S CB -0.309 62.730 63.200 -0.269 0.000 0.861 213 S HN 0.707 nan 8.310 nan 0.000 0.456 214 I N 0.994 121.478 120.570 -0.142 0.000 2.378 214 I HA 0.533 4.703 4.170 -0.000 0.000 0.291 214 I C -0.065 176.010 176.117 -0.070 0.000 0.992 214 I CA -0.696 60.538 61.300 -0.111 0.000 1.154 214 I CB 1.599 39.530 38.000 -0.115 0.000 1.315 214 I HN 0.091 nan 8.210 nan 0.000 0.448 215 A N 4.942 127.728 122.820 -0.057 0.000 2.294 215 A HA 0.373 4.693 4.320 -0.000 0.000 0.330 215 A C 0.936 178.511 177.584 -0.015 0.000 1.133 215 A CA -0.607 51.418 52.037 -0.020 0.000 0.836 215 A CB 1.009 19.999 19.000 -0.017 0.000 1.190 215 A HN 0.861 nan 8.150 nan 0.000 0.492 216 Q N 0.734 120.559 119.800 0.041 0.000 2.152 216 Q HA -0.241 4.098 4.340 -0.000 0.000 0.206 216 Q C 0.472 176.401 176.000 -0.117 0.000 0.985 216 Q CA 1.931 57.738 55.803 0.008 0.000 0.863 216 Q CB -0.477 28.382 28.738 0.202 0.000 0.904 216 Q HN 0.792 nan 8.270 nan 0.000 0.422 217 D N 0.107 120.466 120.400 -0.069 0.000 2.349 217 D HA -0.105 4.535 4.640 -0.000 0.000 0.224 217 D C 1.122 177.353 176.300 -0.115 0.000 1.029 217 D CA 0.415 54.356 54.000 -0.098 0.000 0.879 217 D CB 0.007 40.779 40.800 -0.048 0.000 0.906 217 D HN 0.494 nan 8.370 nan 0.000 0.528 218 Q N -0.210 119.522 119.800 -0.114 0.000 2.281 218 Q HA 0.212 4.552 4.340 -0.000 0.000 0.215 218 Q C -0.209 175.711 176.000 -0.133 0.000 0.867 218 Q CA 0.030 55.760 55.803 -0.122 0.000 0.940 218 Q CB 1.878 30.549 28.738 -0.113 0.000 1.111 218 Q HN 0.093 nan 8.270 nan 0.000 0.513 219 V N 1.256 121.082 119.914 -0.145 0.000 2.459 219 V HA 0.135 4.255 4.120 -0.000 0.000 0.295 219 V C 0.068 176.055 176.094 -0.178 0.000 1.029 219 V CA -0.378 61.836 62.300 -0.143 0.000 0.874 219 V CB 1.860 33.620 31.823 -0.105 0.000 0.985 219 V HN 0.136 nan 8.190 nan 0.000 0.438 220 D N 3.132 123.435 120.400 -0.161 0.000 2.369 220 D HA 0.248 4.888 4.640 -0.000 0.000 0.231 220 D C 0.097 176.316 176.300 -0.135 0.000 0.967 220 D CA 0.874 54.772 54.000 -0.169 0.000 0.905 220 D CB 0.938 41.643 40.800 -0.158 0.000 1.044 220 D HN 0.288 nan 8.370 nan 0.000 0.487 221 L N 0.856 122.020 121.223 -0.099 0.000 2.388 221 L HA 0.541 4.881 4.340 -0.000 0.000 0.264 221 L C -0.900 175.970 176.870 -0.000 0.000 0.998 221 L CA -0.710 54.103 54.840 -0.044 0.000 0.817 221 L CB 2.945 44.979 42.059 -0.042 0.000 1.338 221 L HN -0.203 nan 8.230 nan 0.000 0.414 222 I N 2.299 122.912 120.570 0.071 0.000 2.569 222 I HA 0.548 4.718 4.170 -0.000 0.000 0.290 222 I C -1.073 175.152 176.117 0.180 0.000 1.088 222 I CA -0.823 60.548 61.300 0.119 0.000 1.047 222 I CB 2.534 40.671 38.000 0.228 0.000 1.237 222 I HN 0.233 nan 8.210 nan 0.000 0.421 223 V N 5.830 125.800 119.914 0.093 0.000 2.735 223 V HA 0.437 4.557 4.120 -0.000 0.000 0.310 223 V C -0.730 175.346 176.094 -0.031 0.000 1.061 223 V CA -0.315 62.049 62.300 0.106 0.000 0.913 223 V CB 2.183 34.058 31.823 0.087 0.000 1.005 223 V HN 0.886 nan 8.190 nan 0.000 0.428 224 Q N 4.287 124.098 119.800 0.018 0.000 2.267 224 Q HA 0.653 4.993 4.340 -0.000 0.000 0.255 224 Q C -0.813 175.154 176.000 -0.056 0.000 0.923 224 Q CA -0.426 55.293 55.803 -0.141 0.000 0.925 224 Q CB 1.746 30.440 28.738 -0.074 0.000 1.195 224 Q HN 0.894 nan 8.270 nan 0.000 0.417 225 V N 0.680 120.533 119.914 -0.103 0.000 3.158 225 V HA 0.378 4.498 4.120 -0.000 0.000 0.315 225 V C 0.321 176.366 176.094 -0.082 0.000 1.148 225 V CA -0.530 61.726 62.300 -0.072 0.000 1.042 225 V CB 1.714 33.491 31.823 -0.076 0.000 1.101 225 V HN 0.904 nan 8.190 nan 0.000 0.448 226 D N 0.483 120.843 120.400 -0.066 0.000 2.077 226 D HA 0.028 4.668 4.640 -0.000 0.000 0.196 226 D C 0.501 176.749 176.300 -0.086 0.000 0.986 226 D CA 1.714 55.678 54.000 -0.061 0.000 0.829 226 D CB 0.310 41.084 40.800 -0.044 0.000 0.983 226 D HN 0.824 nan 8.370 nan 0.000 0.453 227 E N -1.432 118.703 120.200 -0.110 0.000 2.331 227 E HA 0.280 4.630 4.350 -0.000 0.000 0.275 227 E C 0.277 176.740 176.600 -0.228 0.000 0.895 227 E CA -0.402 55.908 56.400 -0.151 0.000 0.753 227 E CB 2.880 32.510 29.700 -0.117 0.000 1.216 227 E HN -0.020 nan 8.360 nan 0.000 0.434 228 V N -0.825 118.866 119.914 -0.371 0.000 3.431 228 V HA 0.464 4.584 4.120 -0.000 0.000 0.253 228 V C 0.649 176.251 176.094 -0.820 0.000 1.184 228 V CA 1.022 62.952 62.300 -0.617 0.000 1.104 228 V CB 0.383 31.727 31.823 -0.799 0.000 0.799 228 V HN 0.589 nan 8.190 nan 0.000 0.462 229 G N -0.457 107.972 108.800 -0.617 0.000 3.107 229 G HA2 0.412 4.372 3.960 -0.000 0.000 0.233 229 G HA3 0.412 4.372 3.960 -0.000 0.000 0.233 229 G C -1.780 173.062 174.900 -0.097 0.000 1.168 229 G CA 0.104 45.044 45.100 -0.266 0.000 0.801 229 G HN 0.085 nan 8.290 nan 0.000 0.605 230 D N 0.447 120.852 120.400 0.009 0.000 2.473 230 D HA 0.420 5.060 4.640 -0.000 0.000 0.226 230 D C -1.553 174.768 176.300 0.035 0.000 1.089 230 D CA -1.881 52.128 54.000 0.015 0.000 0.883 230 D CB 2.009 42.828 40.800 0.032 0.000 1.029 230 D HN -0.157 nan 8.370 nan 0.000 0.517 231 P HA -0.158 nan 4.420 nan 0.000 0.215 231 P C 1.004 178.328 177.300 0.040 0.000 1.157 231 P CA 1.365 64.483 63.100 0.029 0.000 0.868 231 P CB 0.279 31.985 31.700 0.010 0.000 0.788 232 E N -0.508 119.711 120.200 0.032 0.000 2.158 232 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 232 E C 1.707 178.332 176.600 0.042 0.000 0.982 232 E CA 0.837 57.257 56.400 0.034 0.000 0.823 232 E CB -0.499 29.217 29.700 0.026 0.000 0.766 232 E HN 0.009 nan 8.360 nan 0.000 0.468 233 K N 0.824 121.252 120.400 0.046 0.000 2.025 233 K HA -0.002 4.318 4.320 -0.000 0.000 0.207 233 K C 1.922 178.564 176.600 0.069 0.000 1.049 233 K CA 0.779 57.098 56.287 0.055 0.000 0.933 233 K CB -0.449 32.084 32.500 0.054 0.000 0.714 233 K HN 0.109 nan 8.250 nan 0.000 0.438 234 I N 0.957 121.576 120.570 0.081 0.000 2.361 234 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 234 I C 1.548 177.714 176.117 0.081 0.000 1.133 234 I CA 1.639 62.998 61.300 0.098 0.000 1.413 234 I CB -0.288 37.799 38.000 0.145 0.000 1.073 234 I HN 0.378 nan 8.210 nan 0.000 0.424 235 T N -1.921 112.674 114.554 0.069 0.000 3.060 235 T HA 0.448 4.798 4.350 -0.000 0.000 0.249 235 T C 0.945 175.678 174.700 0.054 0.000 1.079 235 T CA 0.143 62.280 62.100 0.060 0.000 1.013 235 T CB -0.510 68.391 68.868 0.055 0.000 0.975 235 T HN 0.261 nan 8.240 nan 0.000 0.518 236 A N 1.236 124.088 122.820 0.054 0.000 2.520 236 A HA 0.595 4.915 4.320 -0.000 0.000 0.235 236 A C 1.059 178.676 177.584 0.055 0.000 1.065 236 A CA -0.034 52.033 52.037 0.050 0.000 0.764 236 A CB -0.451 18.578 19.000 0.048 0.000 1.002 236 A HN 0.577 nan 8.150 nan 0.000 0.502 237 G N -0.370 108.459 108.800 0.049 0.000 2.616 237 G HA2 0.568 4.528 3.960 -0.000 0.000 0.268 237 G HA3 0.568 4.528 3.960 -0.000 0.000 0.268 237 G C 0.541 175.475 174.900 0.057 0.000 1.213 237 G CA -0.013 45.118 45.100 0.052 0.000 0.926 237 G HN 1.669 nan 8.290 nan 0.000 0.523 238 A N -0.500 122.356 122.820 0.061 0.000 2.565 238 A HA 0.261 4.581 4.320 -0.000 0.000 0.237 238 A C 0.550 178.163 177.584 0.047 0.000 1.053 238 A CA 0.096 52.170 52.037 0.062 0.000 0.755 238 A CB -0.088 18.948 19.000 0.060 0.000 0.980 238 A HN 0.558 nan 8.150 nan 0.000 0.506 239 I N 1.696 122.294 120.570 0.045 0.000 2.529 239 I HA 0.161 4.331 4.170 -0.000 0.000 0.284 239 I C 1.058 177.192 176.117 0.029 0.000 1.082 239 I CA -0.408 60.912 61.300 0.034 0.000 1.406 239 I CB 0.831 38.851 38.000 0.032 0.000 1.405 239 I HN 0.839 nan 8.210 nan 0.000 0.548 240 R N 6.058 126.571 120.500 0.023 0.000 2.827 240 R HA 0.200 4.540 4.340 -0.000 0.000 0.269 240 R C -0.689 175.621 176.300 0.017 0.000 1.048 240 R CA 0.018 56.128 56.100 0.018 0.000 1.173 240 R CB 0.272 30.580 30.300 0.013 0.000 1.070 240 R HN 0.453 nan 8.270 nan 0.000 0.498 241 L N 2.358 123.588 121.223 0.012 0.000 2.529 241 L HA 0.017 4.357 4.340 -0.000 0.000 0.287 241 L C 0.762 177.645 176.870 0.023 0.000 1.241 241 L CA 0.245 55.094 54.840 0.016 0.000 0.857 241 L CB -0.039 42.024 42.059 0.007 0.000 1.113 241 L HN 0.861 nan 8.230 nan 0.000 0.504 242 S N 0.659 116.378 115.700 0.032 0.000 2.573 242 S HA 0.063 4.533 4.470 -0.000 0.000 0.277 242 S C 0.766 175.389 174.600 0.039 0.000 1.346 242 S CA -0.198 58.022 58.200 0.033 0.000 1.034 242 S CB 1.151 64.373 63.200 0.036 0.000 0.879 242 S HN 0.715 nan 8.310 nan 0.000 0.528 243 S N 0.542 116.262 115.700 0.033 0.000 2.575 243 S HA 0.170 4.640 4.470 -0.000 0.000 0.237 243 S C 0.198 174.820 174.600 0.036 0.000 0.975 243 S CA -0.680 57.542 58.200 0.036 0.000 0.960 243 S CB -0.622 62.594 63.200 0.027 0.000 0.822 243 S HN 0.762 nan 8.310 nan 0.000 0.472 244 N N 4.040 122.761 118.700 0.036 0.000 2.416 244 N HA 0.192 4.932 4.740 -0.000 0.000 0.265 244 N C -1.461 174.071 175.510 0.037 0.000 1.195 244 N CA -1.922 51.147 53.050 0.032 0.000 0.943 244 N CB 1.156 39.660 38.487 0.029 0.000 1.115 244 N HN 0.125 nan 8.380 nan 0.000 0.481 245 P HA -0.070 nan 4.420 nan 0.000 0.229 245 P C 1.088 178.398 177.300 0.016 0.000 1.160 245 P CA 0.704 63.823 63.100 0.031 0.000 0.777 245 P CB 0.475 32.188 31.700 0.022 0.000 0.814 246 R N 0.649 121.157 120.500 0.015 0.000 2.090 246 R HA -0.058 4.282 4.340 -0.000 0.000 0.228 246 R C 2.128 178.435 176.300 0.012 0.000 1.110 246 R CA 1.205 57.310 56.100 0.008 0.000 0.973 246 R CB -0.115 30.196 30.300 0.019 0.000 0.869 246 R HN 0.159 nan 8.270 nan 0.000 0.440 247 E N 0.081 120.296 120.200 0.025 0.000 2.158 247 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 247 E C 1.919 178.544 176.600 0.042 0.000 0.982 247 E CA 0.807 57.227 56.400 0.033 0.000 0.823 247 E CB 0.098 29.823 29.700 0.043 0.000 0.766 247 E HN 0.318 nan 8.360 nan 0.000 0.468 248 L N 0.633 121.892 121.223 0.061 0.000 2.141 248 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 248 L C 2.439 179.263 176.870 -0.077 0.000 1.094 248 L CA 0.225 55.123 54.840 0.096 0.000 0.763 248 L CB -0.302 41.864 42.059 0.178 0.000 0.908 248 L HN 0.204 nan 8.230 nan 0.000 0.437 249 L N 0.519 121.701 121.223 -0.068 0.000 2.017 249 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 249 L C 2.341 179.133 176.870 -0.130 0.000 1.073 249 L CA 1.840 56.610 54.840 -0.116 0.000 0.745 249 L CB -0.449 41.566 42.059 -0.073 0.000 0.894 249 L HN 0.098 nan 8.230 nan 0.000 0.432 250 I N -0.343 120.184 120.570 -0.071 0.000 2.286 250 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 250 I C 2.515 178.587 176.117 -0.075 0.000 1.115 250 I CA 1.207 62.477 61.300 -0.050 0.000 1.392 250 I CB -0.708 37.289 38.000 -0.005 0.000 1.065 250 I HN 0.380 nan 8.210 nan 0.000 0.418 251 A N 0.650 123.419 122.820 -0.085 0.000 1.970 251 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 251 A C 2.434 179.852 177.584 -0.277 0.000 1.170 251 A CA 1.179 53.178 52.037 -0.064 0.000 0.645 251 A CB -0.485 18.585 19.000 0.116 0.000 0.816 251 A HN 0.327 nan 8.150 nan 0.000 0.447 252 R N -0.664 119.440 120.500 -0.660 0.000 2.062 252 R HA -0.147 4.193 4.340 -0.000 0.000 0.231 252 R C 2.289 178.363 176.300 -0.377 0.000 1.136 252 R CA 1.575 57.137 56.100 -0.898 0.000 0.948 252 R CB -0.311 29.421 30.300 -0.946 0.000 0.845 252 R HN 0.462 nan 8.270 nan 0.000 0.430 253 Q N 0.088 119.738 119.800 -0.250 0.000 2.096 253 Q HA -0.210 4.130 4.340 -0.000 0.000 0.208 253 Q C 2.070 178.012 176.000 -0.096 0.000 0.993 253 Q CA 2.079 57.802 55.803 -0.133 0.000 0.862 253 Q CB -0.392 28.291 28.738 -0.091 0.000 0.915 253 Q HN 0.502 nan 8.270 nan 0.000 0.416 254 A N 0.709 123.475 122.820 -0.090 0.000 1.969 254 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 254 A C 2.314 179.852 177.584 -0.076 0.000 1.169 254 A CA 1.604 53.609 52.037 -0.052 0.000 0.635 254 A CB -0.520 18.468 19.000 -0.021 0.000 0.810 254 A HN 0.377 nan 8.150 nan 0.000 0.445 255 A N 0.401 123.160 122.820 -0.103 0.000 1.933 255 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 255 A C 1.863 179.304 177.584 -0.237 0.000 1.175 255 A CA 1.653 53.600 52.037 -0.150 0.000 0.628 255 A CB -0.810 18.149 19.000 -0.068 0.000 0.814 255 A HN 0.728 nan 8.150 nan 0.000 0.444 256 N N -0.287 118.317 118.700 -0.160 0.000 2.188 256 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 256 N C 1.547 177.029 175.510 -0.045 0.000 1.018 256 N CA 1.186 54.178 53.050 -0.097 0.000 0.858 256 N CB -0.189 38.301 38.487 0.006 0.000 0.989 256 N HN 0.264 nan 8.380 nan 0.000 0.426 257 V N 1.639 121.529 119.914 -0.041 0.000 2.295 257 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 257 V C 2.077 178.146 176.094 -0.042 0.000 1.049 257 V CA 1.490 63.789 62.300 -0.003 0.000 1.024 257 V CB -0.432 31.395 31.823 0.005 0.000 0.648 257 V HN 0.286 nan 8.190 nan 0.000 0.447 258 I N -0.217 120.277 120.570 -0.127 0.000 2.179 258 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 258 I C 2.606 178.531 176.117 -0.320 0.000 1.088 258 I CA 1.928 63.126 61.300 -0.170 0.000 1.357 258 I CB -0.443 37.424 38.000 -0.222 0.000 1.051 258 I HN 0.373 nan 8.210 nan 0.000 0.409 259 E N 0.387 120.225 120.200 -0.603 0.000 2.097 259 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 259 E C 1.530 177.833 176.600 -0.494 0.000 1.000 259 E CA 1.378 57.294 56.400 -0.807 0.000 0.804 259 E CB 0.061 29.188 29.700 -0.954 0.000 0.740 259 E HN 0.580 nan 8.360 nan 0.000 0.454 260 H N -1.053 117.962 119.070 -0.090 0.000 2.549 260 H HA 0.125 4.681 4.556 -0.000 0.000 0.279 260 H C 2.000 177.310 175.328 -0.031 0.000 1.018 260 H CA 0.763 56.790 56.048 -0.035 0.000 1.175 260 H CB 0.614 30.355 29.762 -0.034 0.000 1.485 260 H HN 0.189 nan 8.280 nan 0.000 0.543 261 S N -0.385 115.340 115.700 0.040 0.000 2.406 261 S HA 0.028 4.498 4.470 -0.000 0.000 0.228 261 S C 1.954 176.494 174.600 -0.101 0.000 1.020 261 S CA 0.983 59.209 58.200 0.043 0.000 0.965 261 S CB 0.071 63.367 63.200 0.160 0.000 0.798 261 S HN 0.515 nan 8.310 nan 0.000 0.488 262 G N -0.354 108.367 108.800 -0.132 0.000 2.201 262 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.212 262 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.212 262 G C 0.385 175.055 174.900 -0.382 0.000 0.994 262 G CA 0.225 45.151 45.100 -0.289 0.000 0.644 262 G HN 0.540 nan 8.290 nan 0.000 0.508 263 Y N -0.786 119.528 120.300 0.024 0.000 2.444 263 Y HA 0.511 5.061 4.550 -0.000 0.000 0.249 263 Y C 1.074 176.957 175.900 -0.030 0.000 1.134 263 Y CA -0.977 57.136 58.100 0.021 0.000 1.261 263 Y CB 0.353 38.835 38.460 0.037 0.000 1.143 263 Y HN 0.220 nan 8.280 nan 0.000 0.523 264 F N 2.055 121.907 119.950 -0.164 0.000 2.605 264 F HA 0.378 4.905 4.527 -0.000 0.000 0.352 264 F C -0.181 175.461 175.800 -0.264 0.000 1.236 264 F CA -1.081 56.659 58.000 -0.434 0.000 1.267 264 F CB -0.737 37.985 39.000 -0.464 0.000 1.632 264 F HN -0.056 nan 8.300 nan 0.000 0.639 265 C N 2.036 121.153 119.300 -0.304 0.000 2.848 265 C HA 0.331 4.791 4.460 -0.000 0.000 0.317 265 C C -0.061 174.880 174.990 -0.081 0.000 1.260 265 C CA -1.272 57.643 59.018 -0.171 0.000 1.656 265 C CB 1.402 29.128 27.740 -0.024 0.000 2.174 265 C HN 0.577 nan 8.230 nan 0.000 0.479 266 D N 0.117 120.486 120.400 -0.051 0.000 2.531 266 D HA 0.398 5.038 4.640 -0.000 0.000 0.239 266 D C 1.148 177.485 176.300 0.062 0.000 1.144 266 D CA 2.453 56.461 54.000 0.013 0.000 0.869 266 D CB 0.152 40.950 40.800 -0.003 0.000 1.160 266 D HN 1.098 nan 8.370 nan 0.000 0.484 267 G N 3.079 111.919 108.800 0.067 0.000 2.159 267 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.227 267 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.227 267 G C 0.404 175.317 174.900 0.022 0.000 0.986 267 G CA -0.025 45.090 45.100 0.025 0.000 0.651 267 G HN 0.646 nan 8.290 nan 0.000 0.523 268 F N 2.102 122.001 119.950 -0.085 0.000 2.490 268 F HA 0.667 5.194 4.527 -0.000 0.000 0.336 268 F C 0.531 176.227 175.800 -0.174 0.000 1.178 268 F CA -0.341 57.606 58.000 -0.089 0.000 1.301 268 F CB 0.772 39.737 39.000 -0.058 0.000 1.175 268 F HN 0.516 nan 8.300 nan 0.000 0.593 269 S N 4.990 120.464 115.700 -0.377 0.000 2.532 269 S HA 0.830 5.300 4.470 -0.000 0.000 0.301 269 S C -0.905 173.412 174.600 -0.472 0.000 1.083 269 S CA -0.767 56.972 58.200 -0.769 0.000 1.025 269 S CB 1.738 64.208 63.200 -1.218 0.000 1.056 269 S HN 1.203 nan 8.310 nan 0.000 0.494 270 L N -0.266 120.663 121.223 -0.490 0.000 2.469 270 L HA 0.749 5.089 4.340 -0.000 0.000 0.256 270 L C -1.290 175.508 176.870 -0.120 0.000 1.006 270 L CA -0.956 53.779 54.840 -0.174 0.000 0.832 270 L CB 2.098 44.161 42.059 0.007 0.000 1.421 270 L HN 0.835 nan 8.230 nan 0.000 0.410 271 Q N 1.717 121.508 119.800 -0.016 0.000 2.310 271 Q HA 0.585 4.925 4.340 -0.000 0.000 0.270 271 Q C -1.022 175.010 176.000 0.054 0.000 1.025 271 Q CA -0.407 55.424 55.803 0.046 0.000 0.772 271 Q CB 2.079 30.880 28.738 0.104 0.000 1.253 271 Q HN 0.888 nan 8.270 nan 0.000 0.450 272 T N 0.450 115.038 114.554 0.058 0.000 2.948 272 T HA 0.816 5.166 4.350 -0.000 0.000 0.285 272 T C 0.579 175.312 174.700 0.054 0.000 1.019 272 T CA -0.358 61.776 62.100 0.056 0.000 1.013 272 T CB 1.520 70.421 68.868 0.055 0.000 1.117 272 T HN 0.600 nan 8.240 nan 0.000 0.533 273 G N -0.472 108.350 108.800 0.036 0.000 2.525 273 G HA2 0.444 4.404 3.960 -0.000 0.000 0.287 273 G HA3 0.444 4.404 3.960 -0.000 0.000 0.287 273 G C 0.884 175.757 174.900 -0.045 0.000 1.350 273 G CA -0.038 45.066 45.100 0.006 0.000 1.039 273 G HN 1.050 nan 8.290 nan 0.000 0.513 274 T N -4.027 110.448 114.554 -0.131 0.000 3.023 274 T HA 0.500 4.850 4.350 -0.000 0.000 0.253 274 T C 0.863 175.488 174.700 -0.125 0.000 1.038 274 T CA 0.762 62.728 62.100 -0.224 0.000 0.962 274 T CB 0.310 68.828 68.868 -0.584 0.000 1.018 274 T HN 1.090 nan 8.240 nan 0.000 0.521 275 G N -0.901 107.858 108.800 -0.068 0.000 2.749 275 G HA2 0.590 4.550 3.960 -0.000 0.000 0.300 275 G HA3 0.590 4.550 3.960 -0.000 0.000 0.300 275 G C 0.314 175.214 174.900 0.001 0.000 1.352 275 G CA -0.122 44.962 45.100 -0.027 0.000 0.789 275 G HN 0.798 nan 8.290 nan 0.000 0.509 276 G N -0.471 108.337 108.800 0.014 0.000 2.574 276 G HA2 0.152 4.112 3.960 -0.000 0.000 0.295 276 G HA3 0.152 4.112 3.960 -0.000 0.000 0.295 276 G C 1.585 176.510 174.900 0.041 0.000 1.300 276 G CA 1.805 46.921 45.100 0.027 0.000 0.944 276 G HN 2.030 nan 8.290 nan 0.000 0.551 277 A N -0.893 121.954 122.820 0.045 0.000 1.972 277 A HA 0.106 4.426 4.320 -0.000 0.000 0.219 277 A C 2.773 180.394 177.584 0.061 0.000 1.169 277 A CA 3.354 55.424 52.037 0.056 0.000 0.635 277 A CB -0.783 18.241 19.000 0.041 0.000 0.810 277 A HN 2.080 nan 8.150 nan 0.000 0.446 278 S N -0.866 114.863 115.700 0.048 0.000 2.453 278 S HA -0.027 4.443 4.470 -0.000 0.000 0.231 278 S C 1.717 176.344 174.600 0.046 0.000 1.005 278 S CA 1.131 59.359 58.200 0.046 0.000 0.949 278 S CB -0.332 62.892 63.200 0.042 0.000 0.774 278 S HN 0.370 nan 8.310 nan 0.000 0.510 279 L N 2.242 123.488 121.223 0.038 0.000 2.034 279 L HA 0.414 4.754 4.340 -0.000 0.000 0.203 279 L C 2.644 179.549 176.870 0.058 0.000 1.074 279 L CA 1.693 56.555 54.840 0.036 0.000 0.748 279 L CB -1.396 40.674 42.059 0.017 0.000 0.905 279 L HN 0.290 nan 8.230 nan 0.000 0.439 280 A N -0.973 121.893 122.820 0.076 0.000 2.131 280 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 280 A C 2.410 180.107 177.584 0.189 0.000 1.158 280 A CA 1.553 53.657 52.037 0.112 0.000 0.665 280 A CB -1.317 17.773 19.000 0.150 0.000 0.795 280 A HN 0.383 nan 8.150 nan 0.000 0.460 281 V N 0.981 121.003 119.914 0.180 0.000 2.453 281 V HA -0.275 3.845 4.120 -0.000 0.000 0.252 281 V C 2.819 179.025 176.094 0.186 0.000 1.068 281 V CA 3.144 65.575 62.300 0.219 0.000 1.070 281 V CB -1.032 30.863 31.823 0.120 0.000 0.664 281 V HN 0.873 nan 8.190 nan 0.000 0.461 282 T N -1.627 112.990 114.554 0.104 0.000 2.759 282 T HA -0.327 4.023 4.350 -0.000 0.000 0.269 282 T C 1.995 176.694 174.700 -0.002 0.000 1.042 282 T CA 1.823 63.961 62.100 0.063 0.000 1.140 282 T CB -0.673 68.221 68.868 0.043 0.000 0.864 282 T HN 0.584 nan 8.240 nan 0.000 0.455 283 R N 0.106 120.541 120.500 -0.108 0.000 2.083 283 R HA -0.065 4.275 4.340 -0.000 0.000 0.237 283 R C 2.098 178.163 176.300 -0.392 0.000 1.137 283 R CA 1.843 57.744 56.100 -0.332 0.000 0.951 283 R CB -0.418 29.515 30.300 -0.612 0.000 0.851 283 R HN 0.545 nan 8.270 nan 0.000 0.434 284 F N 0.309 120.261 119.950 0.003 0.000 2.234 284 F HA -0.014 4.513 4.527 -0.000 0.000 0.296 284 F C 2.189 177.969 175.800 -0.032 0.000 1.089 284 F CA 0.498 58.487 58.000 -0.018 0.000 1.343 284 F CB -0.306 38.672 39.000 -0.037 0.000 1.040 284 F HN -0.042 nan 8.300 nan 0.000 0.498 285 L N 0.225 121.522 121.223 0.123 0.000 2.012 285 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 285 L C 2.570 179.524 176.870 0.139 0.000 1.073 285 L CA 1.778 56.673 54.840 0.092 0.000 0.748 285 L CB -0.651 41.500 42.059 0.154 0.000 0.891 285 L HN 0.230 nan 8.230 nan 0.000 0.431 286 E N 0.400 120.657 120.200 0.095 0.000 2.097 286 E HA -0.327 4.023 4.350 -0.000 0.000 0.196 286 E C 1.739 178.389 176.600 0.082 0.000 1.000 286 E CA 2.014 58.464 56.400 0.084 0.000 0.804 286 E CB -0.001 29.715 29.700 0.027 0.000 0.740 286 E HN 0.465 nan 8.360 nan 0.000 0.454 287 D N 0.050 120.482 120.400 0.054 0.000 2.097 287 D HA -0.110 4.530 4.640 -0.000 0.000 0.195 287 D C 0.445 176.812 176.300 0.110 0.000 0.989 287 D CA 1.152 55.192 54.000 0.067 0.000 0.827 287 D CB 0.146 40.977 40.800 0.053 0.000 0.966 287 D HN 0.040 nan 8.370 nan 0.000 0.456 291 R N 1.043 121.651 120.500 0.179 0.000 2.064 291 R HA -0.002 4.338 4.340 -0.000 0.000 0.228 291 R C 0.307 176.739 176.300 0.220 0.000 1.144 291 R CA 1.515 57.736 56.100 0.201 0.000 0.932 291 R CB -0.155 30.303 30.300 0.264 0.000 0.833 291 R HN 0.107 nan 8.270 nan 0.000 0.429 292 H N -0.538 118.584 119.070 0.087 0.000 2.730 292 H HA 0.051 4.607 4.556 -0.000 0.000 0.376 292 H C 0.097 175.440 175.328 0.026 0.000 1.299 292 H CA 0.115 56.196 56.048 0.054 0.000 1.447 292 H CB 0.286 30.082 29.762 0.058 0.000 1.493 292 H HN 0.130 nan 8.280 nan 0.000 0.619 293 N N 1.386 120.159 118.700 0.122 0.000 3.025 293 N HA 0.126 4.866 4.740 -0.000 0.000 0.315 293 N C -1.022 174.511 175.510 0.039 0.000 1.511 293 N CA -0.064 53.026 53.050 0.065 0.000 1.097 293 N CB -0.301 38.208 38.487 0.037 0.000 1.395 293 N HN 0.513 nan 8.380 nan 0.000 0.511 294 I N -1.752 118.834 120.570 0.027 0.000 2.693 294 I HA 0.660 4.830 4.170 -0.000 0.000 0.303 294 I C -0.131 175.994 176.117 0.013 0.000 1.025 294 I CA -0.590 60.697 61.300 -0.021 0.000 1.086 294 I CB 2.212 40.121 38.000 -0.152 0.000 1.268 294 I HN -0.115 nan 8.210 nan 0.000 0.440 295 T N 1.664 116.230 114.554 0.020 0.000 2.916 295 T HA 0.838 5.188 4.350 -0.000 0.000 0.292 295 T C -0.313 174.363 174.700 -0.039 0.000 1.064 295 T CA -0.832 61.276 62.100 0.013 0.000 1.011 295 T CB 1.617 70.480 68.868 -0.009 0.000 1.152 295 T HN 0.977 nan 8.240 nan 0.000 0.510 296 A N 1.196 123.895 122.820 -0.201 0.000 2.309 296 A HA 0.605 4.925 4.320 -0.000 0.000 0.298 296 A C 1.445 178.865 177.584 -0.273 0.000 1.165 296 A CA -0.185 51.534 52.037 -0.530 0.000 0.821 296 A CB 0.551 19.065 19.000 -0.809 0.000 1.102 296 A HN 1.206 nan 8.150 nan 0.000 0.500 297 S N 1.805 117.362 115.700 -0.238 0.000 2.355 297 S HA 0.091 4.561 4.470 -0.000 0.000 0.222 297 S C 0.385 175.028 174.600 0.072 0.000 1.031 297 S CA 1.349 59.524 58.200 -0.042 0.000 0.993 297 S CB -0.617 62.617 63.200 0.057 0.000 0.859 297 S HN 1.540 nan 8.310 nan 0.000 0.453 298 F N -1.334 118.514 119.950 -0.170 0.000 2.668 298 F HA 0.828 5.354 4.527 -0.000 0.000 0.309 298 F C -0.451 175.255 175.800 -0.157 0.000 1.117 298 F CA -1.025 56.892 58.000 -0.138 0.000 0.951 298 F CB 1.004 39.948 39.000 -0.093 0.000 1.323 298 F HN 0.136 nan 8.300 nan 0.000 0.451 299 G N 2.084 110.894 108.800 0.018 0.000 2.416 299 G HA2 0.622 4.582 3.960 -0.000 0.000 0.324 299 G HA3 0.622 4.582 3.960 -0.000 0.000 0.324 299 G C -2.376 172.597 174.900 0.121 0.000 1.194 299 G CA -0.855 44.214 45.100 -0.052 0.000 0.922 299 G HN 0.813 nan 8.290 nan 0.000 0.467 300 L N 2.168 123.467 121.223 0.128 0.000 2.346 300 L HA 0.954 5.294 4.340 -0.000 0.000 0.274 300 L C 0.565 177.520 176.870 0.140 0.000 1.007 300 L CA 0.744 55.713 54.840 0.214 0.000 0.818 300 L CB 1.739 44.028 42.059 0.383 0.000 1.284 300 L HN 1.121 nan 8.230 nan 0.000 0.424 301 G N 2.251 111.086 108.800 0.058 0.000 2.439 301 G HA2 0.261 4.221 3.960 -0.000 0.000 0.186 301 G HA3 0.261 4.221 3.960 -0.000 0.000 0.186 301 G C -0.513 174.321 174.900 -0.110 0.000 1.260 301 G CA -0.313 44.795 45.100 0.013 0.000 1.020 301 G HN 0.931 nan 8.290 nan 0.000 0.470 302 G N 0.654 109.524 108.800 0.116 0.000 2.365 302 G HA2 0.518 4.478 3.960 -0.000 0.000 0.293 302 G HA3 0.518 4.478 3.960 -0.000 0.000 0.293 302 G C 0.198 175.306 174.900 0.347 0.000 1.128 302 G CA -0.236 44.964 45.100 0.167 0.000 0.971 302 G HN 0.517 nan 8.290 nan 0.000 0.422 303 I N 2.437 123.106 120.570 0.165 0.000 2.634 303 I HA 0.187 4.357 4.170 -0.000 0.000 0.284 303 I C 1.254 177.504 176.117 0.222 0.000 1.124 303 I CA -0.058 61.327 61.300 0.142 0.000 1.417 303 I CB 0.718 38.751 38.000 0.055 0.000 1.396 303 I HN 0.509 nan 8.210 nan 0.000 0.571 304 T N 1.069 115.722 114.554 0.164 0.000 2.950 304 T HA 0.515 4.864 4.350 -0.000 0.000 0.288 304 T C 1.216 175.980 174.700 0.107 0.000 1.035 304 T CA -0.322 61.870 62.100 0.153 0.000 1.028 304 T CB 1.658 70.590 68.868 0.106 0.000 1.109 304 T HN 0.686 nan 8.240 nan 0.000 0.514 305 G N 0.696 109.556 108.800 0.100 0.000 2.442 305 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.219 305 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.219 305 G C 0.986 175.923 174.900 0.062 0.000 1.141 305 G CA 1.172 46.321 45.100 0.083 0.000 0.763 305 G HN 1.157 nan 8.290 nan 0.000 0.554 309 D N 1.216 121.658 120.400 0.072 0.000 2.133 309 D HA -0.193 4.447 4.640 -0.000 0.000 0.192 309 D C 1.837 178.169 176.300 0.052 0.000 1.001 309 D CA 2.433 56.466 54.000 0.055 0.000 0.844 309 D CB -0.086 40.737 40.800 0.037 0.000 0.944 309 D HN 0.509 nan 8.370 nan 0.000 0.447 310 L N -0.665 120.591 121.223 0.055 0.000 2.141 310 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 310 L C 2.600 179.514 176.870 0.073 0.000 1.094 310 L CA 1.115 55.986 54.840 0.052 0.000 0.763 310 L CB -0.798 41.288 42.059 0.045 0.000 0.908 310 L HN 0.342 nan 8.230 nan 0.000 0.437 311 H N 0.814 119.874 119.070 -0.017 0.000 2.353 311 H HA -0.165 4.391 4.556 -0.000 0.000 0.300 311 H C 1.879 177.211 175.328 0.007 0.000 1.090 311 H CA 1.684 57.724 56.048 -0.014 0.000 1.327 311 H CB 0.405 30.148 29.762 -0.032 0.000 1.383 311 H HN 0.423 nan 8.280 nan 0.000 0.508 312 E N 0.292 120.482 120.200 -0.018 0.000 2.208 312 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 312 E C 1.556 178.119 176.600 -0.061 0.000 0.988 312 E CA 0.717 57.077 56.400 -0.066 0.000 0.828 312 E CB 0.234 29.936 29.700 0.004 0.000 0.763 312 E HN 0.478 nan 8.360 nan 0.000 0.478 313 K N -0.702 119.679 120.400 -0.031 0.000 2.417 313 K HA 0.153 4.473 4.320 -0.000 0.000 0.196 313 K C 0.928 177.511 176.600 -0.029 0.000 1.023 313 K CA 0.455 56.730 56.287 -0.021 0.000 1.122 313 K CB 0.829 33.330 32.500 0.000 0.000 0.850 313 K HN 0.176 nan 8.250 nan 0.000 0.521 314 G N 1.339 110.104 108.800 -0.059 0.000 2.179 314 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 314 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 314 G C 0.734 175.621 174.900 -0.021 0.000 0.977 314 G CA 0.175 45.243 45.100 -0.054 0.000 0.641 314 G HN 0.279 nan 8.290 nan 0.000 0.533 315 L N -0.462 120.760 121.223 -0.002 0.000 2.240 315 L HA 0.361 4.701 4.340 -0.000 0.000 0.211 315 L C 1.142 178.007 176.870 -0.008 0.000 1.106 315 L CA 0.796 55.644 54.840 0.012 0.000 0.793 315 L CB 0.041 42.122 42.059 0.037 0.000 0.927 315 L HN 0.292 nan 8.230 nan 0.000 0.446 316 I N -0.855 119.722 120.570 0.013 0.000 2.447 316 I HA 0.139 4.309 4.170 -0.000 0.000 0.287 316 I C 0.631 176.822 176.117 0.123 0.000 1.023 316 I CA -0.351 60.951 61.300 0.003 0.000 1.083 316 I CB 2.021 40.017 38.000 -0.006 0.000 1.245 316 I HN -0.105 nan 8.210 nan 0.000 0.434 317 K N 3.989 124.429 120.400 0.066 0.000 2.296 317 K HA 0.269 4.589 4.320 -0.000 0.000 0.200 317 K C 0.487 177.202 176.600 0.191 0.000 1.048 317 K CA 0.532 56.869 56.287 0.083 0.000 0.966 317 K CB 0.279 32.778 32.500 -0.002 0.000 0.754 317 K HN 0.709 nan 8.250 nan 0.000 0.466 318 A N 0.726 123.643 122.820 0.162 0.000 2.594 318 A HA 0.613 4.933 4.320 -0.000 0.000 0.295 318 A C -1.594 175.936 177.584 -0.089 0.000 1.071 318 A CA -0.782 51.300 52.037 0.074 0.000 0.685 318 A CB 1.234 20.260 19.000 0.043 0.000 1.285 318 A HN 0.048 nan 8.150 nan 0.000 0.405 319 L N 1.438 122.485 121.223 -0.292 0.000 2.365 319 L HA 0.618 4.958 4.340 -0.000 0.000 0.273 319 L C -1.080 175.703 176.870 -0.145 0.000 1.000 319 L CA -0.563 54.095 54.840 -0.304 0.000 0.819 319 L CB 1.871 43.504 42.059 -0.711 0.000 1.284 319 L HN 0.619 nan 8.230 nan 0.000 0.418 320 L N 2.770 123.962 121.223 -0.052 0.000 2.325 320 L HA 0.487 4.827 4.340 -0.000 0.000 0.281 320 L C -1.077 175.768 176.870 -0.041 0.000 1.004 320 L CA -0.379 54.443 54.840 -0.030 0.000 0.823 320 L CB 1.932 43.965 42.059 -0.043 0.000 1.236 320 L HN 0.475 nan 8.230 nan 0.000 0.415 321 D N 1.296 121.666 120.400 -0.049 0.000 2.440 321 D HA 0.152 4.792 4.640 -0.000 0.000 0.252 321 D C 0.414 176.592 176.300 -0.202 0.000 1.180 321 D CA -0.175 53.785 54.000 -0.066 0.000 0.894 321 D CB 2.062 42.937 40.800 0.126 0.000 1.111 321 D HN 0.395 nan 8.370 nan 0.000 0.544 322 T N 2.363 116.699 114.554 -0.365 0.000 3.065 322 T HA 0.080 4.430 4.350 -0.000 0.000 0.252 322 T C 0.136 174.501 174.700 -0.558 0.000 1.099 322 T CA 0.592 62.363 62.100 -0.548 0.000 1.063 322 T CB 0.121 68.486 68.868 -0.838 0.000 0.948 322 T HN 0.506 nan 8.240 nan 0.000 0.506 323 Q N 0.694 120.257 119.800 -0.394 0.000 2.429 323 Q HA 0.273 4.613 4.340 -0.000 0.000 0.247 323 Q C -1.797 173.956 176.000 -0.411 0.000 0.915 323 Q CA -0.352 55.209 55.803 -0.404 0.000 0.971 323 Q CB 1.416 29.912 28.738 -0.403 0.000 1.468 323 Q HN 0.137 nan 8.270 nan 0.000 0.439 324 S N 3.908 119.422 115.700 -0.309 0.000 2.489 324 S HA 0.343 4.813 4.470 -0.000 0.000 0.277 324 S C 0.035 174.513 174.600 -0.202 0.000 1.230 324 S CA -0.392 57.715 58.200 -0.156 0.000 1.053 324 S CB 0.291 63.453 63.200 -0.063 0.000 0.955 324 S HN 0.530 nan 8.310 nan 0.000 0.488 325 F N 1.879 121.853 119.950 0.041 0.000 2.776 325 F HA 0.167 4.694 4.527 -0.000 0.000 0.300 325 F C 0.865 176.693 175.800 0.046 0.000 1.116 325 F CA -0.190 57.837 58.000 0.045 0.000 1.375 325 F CB 0.108 39.143 39.000 0.058 0.000 1.109 325 F HN 0.612 nan 8.300 nan 0.000 0.585 326 D N -3.340 117.172 120.400 0.186 0.000 2.677 326 D HA 0.392 5.032 4.640 -0.000 0.000 0.298 326 D C 1.004 177.358 176.300 0.090 0.000 1.250 326 D CA -0.509 53.570 54.000 0.132 0.000 0.888 326 D CB 0.404 41.280 40.800 0.126 0.000 1.397 326 D HN -0.172 nan 8.370 nan 0.000 0.461 327 G N -1.068 107.778 108.800 0.077 0.000 2.511 327 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.217 327 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.217 327 G C 0.692 175.626 174.900 0.057 0.000 1.133 327 G CA 0.423 45.561 45.100 0.062 0.000 0.792 327 G HN 0.460 nan 8.290 nan 0.000 0.539 328 D N 1.449 121.888 120.400 0.065 0.000 2.097 328 D HA -0.054 4.586 4.640 -0.000 0.000 0.197 328 D C 2.842 179.192 176.300 0.082 0.000 0.984 328 D CA 1.236 55.276 54.000 0.065 0.000 0.826 328 D CB -0.436 40.406 40.800 0.069 0.000 0.973 328 D HN 0.269 nan 8.370 nan 0.000 0.460 329 A N 1.465 124.352 122.820 0.111 0.000 1.865 329 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 329 A C 2.379 180.000 177.584 0.062 0.000 1.191 329 A CA 2.717 54.855 52.037 0.169 0.000 0.623 329 A CB -0.959 18.149 19.000 0.181 0.000 0.826 329 A HN 0.244 nan 8.150 nan 0.000 0.444 330 A N -0.502 122.336 122.820 0.030 0.000 1.917 330 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 330 A C 2.284 179.850 177.584 -0.030 0.000 1.182 330 A CA 1.843 53.886 52.037 0.010 0.000 0.633 330 A CB -0.488 18.541 19.000 0.047 0.000 0.819 330 A HN 0.575 nan 8.150 nan 0.000 0.448 331 R N -1.053 119.434 120.500 -0.022 0.000 2.090 331 R HA -0.055 4.285 4.340 -0.000 0.000 0.228 331 R C 2.637 178.867 176.300 -0.117 0.000 1.110 331 R CA 1.256 57.323 56.100 -0.056 0.000 0.973 331 R CB -0.363 29.932 30.300 -0.010 0.000 0.869 331 R HN 0.567 nan 8.270 nan 0.000 0.440 332 S N 1.033 116.694 115.700 -0.064 0.000 2.399 332 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 332 S C 1.885 176.321 174.600 -0.274 0.000 1.022 332 S CA 0.874 59.059 58.200 -0.025 0.000 0.983 332 S CB -0.098 63.229 63.200 0.213 0.000 0.803 332 S HN 0.229 nan 8.310 nan 0.000 0.480 333 L N 1.720 122.528 121.223 -0.691 0.000 2.093 333 L HA 0.184 4.524 4.340 -0.000 0.000 0.208 333 L C 2.443 178.896 176.870 -0.695 0.000 1.085 333 L CA 2.011 56.283 54.840 -0.946 0.000 0.755 333 L CB -1.234 40.376 42.059 -0.747 0.000 0.904 333 L HN 0.315 nan 8.230 nan 0.000 0.435 334 A N -1.248 121.092 122.820 -0.801 0.000 1.873 334 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 334 A C 2.151 179.433 177.584 -0.504 0.000 1.186 334 A CA 1.476 52.909 52.037 -1.007 0.000 0.616 334 A CB -0.394 18.095 19.000 -0.852 0.000 0.823 334 A HN 0.568 nan 8.150 nan 0.000 0.442 335 Q N 0.074 119.692 119.800 -0.303 0.000 2.165 335 Q HA 0.049 4.389 4.340 -0.000 0.000 0.197 335 Q C -0.106 175.827 176.000 -0.112 0.000 0.952 335 Q CA 0.527 56.231 55.803 -0.165 0.000 0.848 335 Q CB -0.421 28.259 28.738 -0.097 0.000 0.931 335 Q HN 0.752 nan 8.270 nan 0.000 0.470 336 N N 3.012 121.667 118.700 -0.075 0.000 2.419 336 N HA 0.079 4.819 4.740 -0.000 0.000 0.264 336 N C -1.911 173.586 175.510 -0.022 0.000 1.031 336 N CA -1.087 51.971 53.050 0.014 0.000 0.951 336 N CB 1.383 39.983 38.487 0.188 0.000 1.101 336 N HN -0.040 nan 8.380 nan 0.000 0.488 337 P HA -0.141 nan 4.420 nan 0.000 0.221 337 P C 0.108 177.282 177.300 -0.210 0.000 1.150 337 P CA 1.338 64.311 63.100 -0.213 0.000 0.800 337 P CB 0.308 31.807 31.700 -0.335 0.000 0.787 338 H N -2.226 116.929 119.070 0.141 0.000 2.517 338 H HA 0.117 4.673 4.556 -0.000 0.000 0.282 338 H C 0.157 175.499 175.328 0.022 0.000 1.023 338 H CA -0.082 56.045 56.048 0.130 0.000 1.169 338 H CB -0.895 28.992 29.762 0.209 0.000 1.454 338 H HN 0.390 nan 8.280 nan 0.000 0.556 339 H N 0.669 119.717 119.070 -0.037 0.000 2.820 339 H HA 0.325 4.881 4.556 -0.000 0.000 0.278 339 H C -0.448 174.822 175.328 -0.097 0.000 1.142 339 H CA -0.408 55.545 56.048 -0.157 0.000 1.346 339 H CB -0.106 29.568 29.762 -0.147 0.000 1.438 339 H HN 0.052 nan 8.280 nan 0.000 0.473 340 I N 4.189 124.853 120.570 0.156 0.000 2.412 340 I HA 0.119 4.289 4.170 -0.000 0.000 0.296 340 I C 0.066 176.203 176.117 0.033 0.000 0.987 340 I CA -0.604 60.728 61.300 0.055 0.000 1.180 340 I CB 1.850 39.863 38.000 0.021 0.000 1.340 340 I HN 0.627 nan 8.210 nan 0.000 0.455 341 E N 7.339 127.530 120.200 -0.015 0.000 2.259 341 E HA 0.501 4.850 4.350 -0.000 0.000 0.281 341 E C -1.047 175.503 176.600 -0.083 0.000 1.027 341 E CA -0.502 55.866 56.400 -0.053 0.000 0.838 341 E CB 1.027 30.700 29.700 -0.045 0.000 1.066 341 E HN 0.572 nan 8.360 nan 0.000 0.401 342 I N 0.789 121.285 120.570 -0.122 0.000 2.892 342 I HA 0.530 4.700 4.170 -0.000 0.000 0.306 342 I C -0.130 175.881 176.117 -0.176 0.000 1.078 342 I CA -1.003 60.223 61.300 -0.123 0.000 1.032 342 I CB 2.047 39.991 38.000 -0.094 0.000 1.229 342 I HN 0.481 nan 8.210 nan 0.000 0.435 343 S N 1.855 117.473 115.700 -0.136 0.000 2.669 343 S HA 0.301 4.771 4.470 -0.000 0.000 0.270 343 S C 0.835 175.356 174.600 -0.131 0.000 1.225 343 S CA -0.012 58.093 58.200 -0.158 0.000 0.991 343 S CB 1.221 64.366 63.200 -0.091 0.000 0.987 343 S HN 0.748 nan 8.310 nan 0.000 0.552 344 T N 1.382 115.847 114.554 -0.148 0.000 2.962 344 T HA -0.077 4.273 4.350 -0.000 0.000 0.270 344 T C 1.639 176.390 174.700 0.084 0.000 1.088 344 T CA 1.576 63.670 62.100 -0.011 0.000 1.127 344 T CB -0.680 68.204 68.868 0.027 0.000 0.883 344 T HN 0.697 nan 8.240 nan 0.000 0.493 345 N N 1.361 120.089 118.700 0.046 0.000 2.188 345 N HA -0.065 4.675 4.740 -0.000 0.000 0.184 345 N C 1.798 177.331 175.510 0.040 0.000 1.018 345 N CA 1.068 54.147 53.050 0.048 0.000 0.858 345 N CB -0.111 38.415 38.487 0.065 0.000 0.989 345 N HN 0.444 nan 8.380 nan 0.000 0.426 346 Q N -1.907 117.914 119.800 0.035 0.000 2.451 346 Q HA -0.024 4.316 4.340 -0.000 0.000 0.206 346 Q C 0.710 176.760 176.000 0.083 0.000 0.947 346 Q CA 0.373 56.192 55.803 0.026 0.000 0.937 346 Q CB 0.184 28.917 28.738 -0.010 0.000 1.025 346 Q HN 0.474 nan 8.270 nan 0.000 0.511 347 Y N -0.732 119.542 120.300 -0.044 0.000 2.284 347 Y HA 0.296 4.846 4.550 -0.000 0.000 0.293 347 Y C 1.403 177.315 175.900 0.019 0.000 1.140 347 Y CA 1.091 59.180 58.100 -0.019 0.000 1.153 347 Y CB 0.163 38.600 38.460 -0.038 0.000 1.114 347 Y HN -0.084 nan 8.280 nan 0.000 0.521 348 A N -0.633 122.104 122.820 -0.140 0.000 2.606 348 A HA 0.220 4.540 4.320 -0.000 0.000 0.230 348 A C -0.067 177.446 177.584 -0.118 0.000 1.279 348 A CA -0.150 51.705 52.037 -0.303 0.000 1.010 348 A CB -0.566 18.170 19.000 -0.439 0.000 1.271 348 A HN 0.312 nan 8.150 nan 0.000 0.584 349 N N 2.172 120.845 118.700 -0.045 0.000 2.438 349 N HA 0.134 4.874 4.740 -0.000 0.000 0.267 349 N C -1.312 174.167 175.510 -0.051 0.000 1.222 349 N CA -1.640 51.386 53.050 -0.039 0.000 0.930 349 N CB 1.190 39.666 38.487 -0.018 0.000 1.083 349 N HN 0.094 nan 8.380 nan 0.000 0.476 350 P HA -0.132 nan 4.420 nan 0.000 0.219 350 P C 0.362 177.645 177.300 -0.028 0.000 1.146 350 P CA 1.088 64.159 63.100 -0.050 0.000 0.808 350 P CB 0.131 31.794 31.700 -0.063 0.000 0.779 351 A N -0.600 122.202 122.820 -0.029 0.000 2.251 351 A HA 0.120 4.440 4.320 -0.000 0.000 0.209 351 A C 1.389 178.967 177.584 -0.011 0.000 1.187 351 A CA 0.038 52.064 52.037 -0.019 0.000 0.823 351 A CB -0.819 18.165 19.000 -0.027 0.000 0.846 351 A HN 0.220 nan 8.150 nan 0.000 0.486 352 S N -0.280 115.413 115.700 -0.011 0.000 2.573 352 S HA 0.105 4.575 4.470 -0.000 0.000 0.277 352 S C 1.023 175.624 174.600 0.002 0.000 1.346 352 S CA -0.067 58.133 58.200 0.000 0.000 1.034 352 S CB 0.519 63.718 63.200 -0.001 0.000 0.879 352 S HN 0.477 nan 8.310 nan 0.000 0.528 353 K N 1.925 122.329 120.400 0.007 0.000 2.486 353 K HA 0.142 4.462 4.320 -0.000 0.000 0.194 353 K C 0.685 177.284 176.600 -0.002 0.000 1.033 353 K CA 0.569 56.858 56.287 0.004 0.000 1.004 353 K CB 0.213 32.716 32.500 0.006 0.000 0.798 353 K HN 0.665 nan 8.250 nan 0.000 0.495 354 G N 0.668 109.465 108.800 -0.004 0.000 2.532 354 G HA2 0.452 4.412 3.960 -0.000 0.000 0.300 354 G HA3 0.452 4.412 3.960 -0.000 0.000 0.300 354 G C -1.462 173.430 174.900 -0.012 0.000 1.911 354 G CA -0.565 44.528 45.100 -0.011 0.000 0.948 354 G HN 0.107 nan 8.290 nan 0.000 0.453 355 A N 1.401 124.214 122.820 -0.012 0.000 2.258 355 A HA 0.783 5.103 4.320 -0.000 0.000 0.316 355 A C 1.337 178.918 177.584 -0.005 0.000 1.279 355 A CA 0.291 52.321 52.037 -0.013 0.000 0.876 355 A CB 1.224 20.202 19.000 -0.037 0.000 1.170 355 A HN 1.739 nan 8.150 nan 0.000 0.520 356 A N 1.601 124.429 122.820 0.014 0.000 2.024 356 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 356 A C 2.147 179.808 177.584 0.128 0.000 1.164 356 A CA 2.091 54.143 52.037 0.025 0.000 0.643 356 A CB -1.299 17.701 19.000 0.001 0.000 0.806 356 A HN 1.826 nan 8.150 nan 0.000 0.451 357 C N -0.501 118.832 119.300 0.054 0.000 2.432 357 C HA 0.011 4.471 4.460 -0.000 0.000 0.280 357 C C 1.834 176.837 174.990 0.022 0.000 1.353 357 C CA 0.943 59.969 59.018 0.014 0.000 1.766 357 C CB -1.382 26.239 27.740 -0.199 0.000 1.924 357 C HN 0.639 nan 8.230 nan 0.000 0.509 358 E N 0.372 120.582 120.200 0.017 0.000 2.511 358 E HA 0.014 4.364 4.350 -0.000 0.000 0.196 358 E C 1.616 178.250 176.600 0.058 0.000 1.066 358 E CA 0.252 56.664 56.400 0.021 0.000 0.871 358 E CB -0.041 29.663 29.700 0.006 0.000 0.863 358 E HN 0.728 nan 8.360 nan 0.000 0.520 359 R N 0.298 120.873 120.500 0.125 0.000 2.509 359 R HA 0.165 4.505 4.340 -0.000 0.000 0.300 359 R C -0.299 176.134 176.300 0.222 0.000 0.985 359 R CA -0.390 55.827 56.100 0.196 0.000 1.092 359 R CB 0.542 30.995 30.300 0.255 0.000 1.237 359 R HN -0.032 nan 8.270 nan 0.000 0.546 360 L N 1.077 122.369 121.223 0.115 0.000 2.349 360 L HA 0.159 4.499 4.340 -0.000 0.000 0.275 360 L C 0.925 177.745 176.870 -0.083 0.000 1.115 360 L CA 0.496 55.328 54.840 -0.014 0.000 0.820 360 L CB 1.022 43.080 42.059 -0.001 0.000 1.135 360 L HN 0.023 nan 8.230 nan 0.000 0.445 361 N N 1.143 119.772 118.700 -0.119 0.000 2.220 361 N HA 0.082 4.822 4.740 -0.000 0.000 0.182 361 N C -0.688 174.704 175.510 -0.198 0.000 1.023 361 N CA 0.505 53.466 53.050 -0.148 0.000 0.856 361 N CB 0.446 38.960 38.487 0.046 0.000 0.997 361 N HN 0.327 nan 8.380 nan 0.000 0.429 362 V N 0.679 120.552 119.914 -0.068 0.000 2.760 362 V HA 0.497 4.617 4.120 -0.000 0.000 0.309 362 V C -0.578 175.506 176.094 -0.017 0.000 1.077 362 V CA -0.791 61.490 62.300 -0.032 0.000 0.910 362 V CB 2.094 33.961 31.823 0.073 0.000 1.008 362 V HN -0.188 nan 8.190 nan 0.000 0.424 366 S N 0.631 116.450 115.700 0.199 0.000 2.690 366 S HA 0.974 5.444 4.470 -0.000 0.000 0.285 366 S C -0.354 174.372 174.600 0.210 0.000 1.135 366 S CA -0.090 58.207 58.200 0.161 0.000 1.020 366 S CB 2.211 65.470 63.200 0.098 0.000 1.159 366 S HN 1.094 nan 8.310 nan 0.000 0.534 367 A N -0.486 122.387 122.820 0.089 0.000 2.577 367 A HA 0.609 4.929 4.320 -0.000 0.000 0.297 367 A C 0.187 177.770 177.584 -0.003 0.000 1.060 367 A CA -0.834 51.221 52.037 0.029 0.000 0.697 367 A CB 0.344 19.377 19.000 0.055 0.000 1.281 367 A HN 0.740 nan 8.150 nan 0.000 0.402 368 L N 0.177 121.381 121.223 -0.032 0.000 2.095 368 L HA 0.177 4.517 4.340 -0.000 0.000 0.204 368 L C 0.736 177.594 176.870 -0.020 0.000 1.080 368 L CA 1.113 55.939 54.840 -0.024 0.000 0.759 368 L CB -0.006 42.035 42.059 -0.029 0.000 0.914 368 L HN 0.757 nan 8.230 nan 0.000 0.439 369 E N -0.544 119.642 120.200 -0.024 0.000 2.383 369 E HA 0.544 4.894 4.350 -0.000 0.000 0.275 369 E C -1.323 175.264 176.600 -0.022 0.000 0.918 369 E CA -0.562 55.824 56.400 -0.024 0.000 0.764 369 E CB 3.429 33.116 29.700 -0.021 0.000 1.252 369 E HN -0.036 nan 8.360 nan 0.000 0.449 370 I N 2.074 122.622 120.570 -0.036 0.000 2.569 370 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 370 I C -1.423 174.640 176.117 -0.091 0.000 1.088 370 I CA -0.585 60.686 61.300 -0.048 0.000 1.047 370 I CB 1.374 39.344 38.000 -0.050 0.000 1.237 370 I HN 0.598 nan 8.210 nan 0.000 0.421 371 D N 5.510 125.861 120.400 -0.081 0.000 2.549 371 D HA 0.184 4.824 4.640 -0.000 0.000 0.270 371 D C 0.995 177.199 176.300 -0.160 0.000 1.181 371 D CA -0.280 53.664 54.000 -0.093 0.000 1.070 371 D CB 0.938 41.712 40.800 -0.043 0.000 1.154 371 D HN 0.305 nan 8.370 nan 0.000 0.602 372 V N -2.331 117.513 119.914 -0.115 0.000 3.141 372 V HA 0.001 4.120 4.120 -0.000 0.000 0.265 372 V C 0.812 176.892 176.094 -0.024 0.000 1.126 372 V CA 0.832 63.057 62.300 -0.124 0.000 1.141 372 V CB -0.957 30.828 31.823 -0.064 0.000 0.743 372 V HN 0.450 nan 8.190 nan 0.000 0.492 373 N N -0.175 118.544 118.700 0.033 0.000 2.322 373 N HA 0.182 4.922 4.740 -0.000 0.000 0.194 373 N C 0.381 176.077 175.510 0.310 0.000 1.126 373 N CA 0.554 53.698 53.050 0.157 0.000 0.845 373 N CB 0.174 38.715 38.487 0.089 0.000 0.976 373 N HN 0.586 nan 8.380 nan 0.000 0.475 374 F N -0.546 119.411 119.950 0.011 0.000 2.871 374 F HA -0.269 4.258 4.527 -0.000 0.000 0.326 374 F C 0.280 176.097 175.800 0.027 0.000 0.675 374 F CA 0.086 58.098 58.000 0.020 0.000 1.188 374 F CB -1.808 37.205 39.000 0.022 0.000 1.567 374 F HN 0.036 nan 8.300 nan 0.000 0.325 375 N N 1.265 120.052 118.700 0.145 0.000 2.412 375 N HA 0.296 5.036 4.740 -0.000 0.000 0.254 375 N C -0.139 175.411 175.510 0.068 0.000 1.232 375 N CA 0.346 53.450 53.050 0.090 0.000 0.880 375 N CB 0.983 39.498 38.487 0.046 0.000 1.076 375 N HN -0.005 nan 8.380 nan 0.000 0.458 376 V N 2.488 122.449 119.914 0.078 0.000 2.448 376 V HA 0.233 4.352 4.120 -0.000 0.000 0.295 376 V C 0.219 176.306 176.094 -0.012 0.000 1.025 376 V CA -0.998 61.334 62.300 0.053 0.000 0.859 376 V CB 1.674 33.582 31.823 0.141 0.000 0.988 376 V HN 0.558 nan 8.190 nan 0.000 0.431 377 N N 3.816 122.492 118.700 -0.039 0.000 2.422 377 N HA 0.577 5.317 4.740 -0.000 0.000 0.266 377 N C -0.559 174.883 175.510 -0.112 0.000 1.007 377 N CA -0.194 52.819 53.050 -0.062 0.000 0.941 377 N CB 1.574 40.041 38.487 -0.035 0.000 1.115 377 N HN 0.604 nan 8.380 nan 0.000 0.492 381 G N 0.618 109.428 108.800 0.017 0.000 2.653 381 G HA2 0.431 4.391 3.960 -0.000 0.000 0.265 381 G HA3 0.431 4.391 3.960 -0.000 0.000 0.265 381 G C 1.238 176.148 174.900 0.017 0.000 1.237 381 G CA -0.127 44.979 45.100 0.010 0.000 0.946 381 G HN 1.571 nan 8.290 nan 0.000 0.522 382 S N -0.455 115.247 115.700 0.004 0.000 2.474 382 S HA -0.143 4.327 4.470 -0.000 0.000 0.235 382 S C 1.576 176.173 174.600 -0.005 0.000 0.997 382 S CA 1.214 59.415 58.200 0.001 0.000 0.949 382 S CB -0.249 62.946 63.200 -0.010 0.000 0.766 382 S HN 0.687 nan 8.310 nan 0.000 0.517 383 N N 1.049 119.741 118.700 -0.013 0.000 2.322 383 N HA 0.237 4.977 4.740 -0.000 0.000 0.194 383 N C 1.231 176.716 175.510 -0.042 0.000 1.126 383 N CA 0.571 53.595 53.050 -0.043 0.000 0.845 383 N CB -0.436 38.025 38.487 -0.043 0.000 0.976 383 N HN 0.576 nan 8.380 nan 0.000 0.475 384 G N -0.736 108.091 108.800 0.044 0.000 2.179 384 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 384 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 384 G C -0.278 174.718 174.900 0.160 0.000 0.977 384 G CA 0.341 45.552 45.100 0.185 0.000 0.641 384 G HN 0.309 nan 8.290 nan 0.000 0.533 385 V N 1.990 121.944 119.914 0.068 0.000 2.546 385 V HA 0.455 4.575 4.120 -0.000 0.000 0.284 385 V C 1.319 177.436 176.094 0.038 0.000 1.050 385 V CA -0.615 61.715 62.300 0.049 0.000 0.981 385 V CB 1.555 33.389 31.823 0.018 0.000 0.990 385 V HN 0.338 nan 8.190 nan 0.000 0.474 386 L N 5.839 127.081 121.223 0.032 0.000 2.584 386 L HA 0.196 4.536 4.340 -0.000 0.000 0.272 386 L C 1.356 178.232 176.870 0.009 0.000 1.195 386 L CA 0.711 55.560 54.840 0.014 0.000 0.920 386 L CB -0.143 41.920 42.059 0.007 0.000 1.173 386 L HN 0.645 nan 8.230 nan 0.000 0.489 387 R N 1.686 122.187 120.500 0.002 0.000 2.591 387 R HA 0.204 4.544 4.340 -0.000 0.000 0.288 387 R C 0.477 176.776 176.300 -0.002 0.000 0.947 387 R CA 0.331 56.433 56.100 0.003 0.000 1.085 387 R CB 1.014 31.316 30.300 0.003 0.000 1.618 387 R HN 0.807 nan 8.270 nan 0.000 0.524 388 G N 0.056 108.848 108.800 -0.014 0.000 3.119 388 G HA2 0.697 4.657 3.960 -0.000 0.000 0.206 388 G HA3 0.697 4.657 3.960 -0.000 0.000 0.206 388 G C -1.474 173.408 174.900 -0.030 0.000 1.313 388 G CA -0.186 44.901 45.100 -0.020 0.000 1.010 388 G HN 0.145 nan 8.290 nan 0.000 0.578 389 A N -0.971 121.825 122.820 -0.040 0.000 2.393 389 A HA 0.648 4.968 4.320 -0.000 0.000 0.306 389 A C 0.860 178.396 177.584 -0.081 0.000 1.050 389 A CA 0.444 52.447 52.037 -0.057 0.000 0.724 389 A CB 1.759 20.738 19.000 -0.034 0.000 1.248 389 A HN 1.053 nan 8.150 nan 0.000 0.424 390 S N 2.342 117.985 115.700 -0.095 0.000 2.355 390 S HA 0.243 4.712 4.470 -0.000 0.000 0.222 390 S C 1.503 176.039 174.600 -0.106 0.000 1.031 390 S CA 2.484 60.634 58.200 -0.083 0.000 0.993 390 S CB -0.872 62.293 63.200 -0.059 0.000 0.859 390 S HN 2.701 nan 8.310 nan 0.000 0.453 391 G N 0.064 108.699 108.800 -0.275 0.000 2.582 391 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.288 391 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.288 391 G C 0.662 175.317 174.900 -0.407 0.000 1.247 391 G CA 0.119 44.827 45.100 -0.654 0.000 0.972 391 G HN 1.278 nan 8.290 nan 0.000 0.557 392 G N -1.292 107.471 108.800 -0.062 0.000 3.284 392 G HA2 0.297 4.257 3.960 -0.000 0.000 0.236 392 G HA3 0.297 4.257 3.960 -0.000 0.000 0.236 392 G C 1.100 176.076 174.900 0.126 0.000 1.158 392 G CA 1.270 46.474 45.100 0.174 0.000 0.774 392 G HN 0.843 nan 8.290 nan 0.000 0.545 393 H N 2.223 121.311 119.070 0.030 0.000 2.265 393 H HA -0.187 4.369 4.556 0.000 0.000 0.295 393 H C 2.652 178.001 175.328 0.035 0.000 1.084 393 H CA 2.155 58.227 56.048 0.041 0.000 1.261 393 H CB -0.179 29.600 29.762 0.029 0.000 1.360 393 H HN 0.470 nan 8.280 nan 0.000 0.487 394 S N -0.315 115.491 115.700 0.177 0.000 2.489 394 S HA -0.060 4.410 4.470 -0.000 0.000 0.228 394 S C 1.462 176.065 174.600 0.006 0.000 0.995 394 S CA 0.868 59.144 58.200 0.127 0.000 0.934 394 S CB 0.175 63.464 63.200 0.149 0.000 0.771 394 S HN 0.351 nan 8.310 nan 0.000 0.522 395 D N 2.487 122.859 120.400 -0.045 0.000 2.110 395 D HA -0.042 4.598 4.640 -0.000 0.000 0.202 395 D C 2.380 178.612 176.300 -0.113 0.000 0.975 395 D CA 2.030 55.964 54.000 -0.111 0.000 0.839 395 D CB -0.836 39.874 40.800 -0.149 0.000 0.996 395 D HN 0.696 nan 8.370 nan 0.000 0.464 396 T N -0.459 114.033 114.554 -0.104 0.000 2.867 396 T HA 0.035 4.385 4.350 -0.000 0.000 0.268 396 T C 2.099 176.761 174.700 -0.064 0.000 1.057 396 T CA 1.259 63.309 62.100 -0.084 0.000 1.136 396 T CB -0.194 68.655 68.868 -0.032 0.000 0.874 396 T HN 0.069 nan 8.240 nan 0.000 0.466 397 A N 2.038 124.819 122.820 -0.065 0.000 1.873 397 A HA 0.373 4.693 4.320 -0.000 0.000 0.215 397 A C 2.861 180.443 177.584 -0.005 0.000 1.186 397 A CA 1.773 53.784 52.037 -0.043 0.000 0.616 397 A CB -1.462 17.521 19.000 -0.028 0.000 0.823 397 A HN 0.729 nan 8.150 nan 0.000 0.442 398 A N -0.633 122.202 122.820 0.024 0.000 1.940 398 A HA 0.088 4.408 4.320 -0.000 0.000 0.219 398 A C 2.341 179.929 177.584 0.006 0.000 1.176 398 A CA 2.086 54.148 52.037 0.043 0.000 0.631 398 A CB -1.217 17.827 19.000 0.073 0.000 0.814 398 A HN 0.707 nan 8.150 nan 0.000 0.446 399 G N -0.657 108.130 108.800 -0.022 0.000 2.411 399 G HA2 0.330 4.290 3.960 -0.000 0.000 0.213 399 G HA3 0.330 4.290 3.960 -0.000 0.000 0.213 399 G C 0.917 175.801 174.900 -0.026 0.000 1.166 399 G CA 0.704 45.788 45.100 -0.026 0.000 0.802 399 G HN 0.856 nan 8.290 nan 0.000 0.533 400 A N 0.648 123.444 122.820 -0.041 0.000 2.466 400 A HA 0.343 4.663 4.320 -0.000 0.000 0.238 400 A C 1.127 178.648 177.584 -0.106 0.000 1.074 400 A CA 0.305 52.300 52.037 -0.070 0.000 0.774 400 A CB 0.334 19.288 19.000 -0.076 0.000 1.015 400 A HN 0.200 nan 8.150 nan 0.000 0.498 401 D N -0.589 119.692 120.400 -0.198 0.000 2.123 401 D HA 0.028 4.668 4.640 -0.000 0.000 0.200 401 D C 0.154 176.260 176.300 -0.323 0.000 0.976 401 D CA 1.346 55.165 54.000 -0.302 0.000 0.831 401 D CB -0.072 40.331 40.800 -0.661 0.000 0.974 401 D HN 0.308 nan 8.370 nan 0.000 0.469 402 L N 0.263 121.277 121.223 -0.348 0.000 2.406 402 L HA 0.372 4.712 4.340 -0.000 0.000 0.272 402 L C -1.224 175.586 176.870 -0.100 0.000 0.980 402 L CA -0.177 54.548 54.840 -0.192 0.000 0.831 402 L CB 2.355 44.294 42.059 -0.200 0.000 1.253 402 L HN -0.326 nan 8.230 nan 0.000 0.406 403 T N 6.637 121.160 114.554 -0.051 0.000 2.791 403 T HA 0.610 4.960 4.350 -0.000 0.000 0.288 403 T C -0.236 174.465 174.700 0.001 0.000 0.999 403 T CA -0.061 62.019 62.100 -0.033 0.000 0.952 403 T CB 0.526 69.374 68.868 -0.034 0.000 0.938 403 T HN 0.412 nan 8.240 nan 0.000 0.444 404 I N 4.306 124.881 120.570 0.008 0.000 2.354 404 I HA 0.416 4.586 4.170 -0.000 0.000 0.292 404 I C -0.282 175.863 176.117 0.045 0.000 0.989 404 I CA -0.990 60.332 61.300 0.036 0.000 1.188 404 I CB 1.377 39.395 38.000 0.031 0.000 1.342 404 I HN 0.350 nan 8.210 nan 0.000 0.457 405 I N 5.508 126.126 120.570 0.080 0.000 2.315 405 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 405 I C 0.406 176.569 176.117 0.076 0.000 1.006 405 I CA -0.261 61.096 61.300 0.095 0.000 1.265 405 I CB 1.221 39.300 38.000 0.131 0.000 1.387 405 I HN 0.554 nan 8.210 nan 0.000 0.475 406 T N 3.263 117.857 114.554 0.066 0.000 2.756 406 T HA 0.851 5.200 4.350 -0.000 0.000 0.290 406 T C -0.299 174.431 174.700 0.050 0.000 0.985 406 T CA -0.720 61.410 62.100 0.050 0.000 0.955 406 T CB 1.715 70.609 68.868 0.042 0.000 0.930 406 T HN 0.759 nan 8.240 nan 0.000 0.451 407 A N 4.759 127.603 122.820 0.040 0.000 2.517 407 A HA 0.821 5.141 4.320 -0.000 0.000 0.297 407 A C -3.026 174.576 177.584 0.029 0.000 1.050 407 A CA -1.852 50.204 52.037 0.032 0.000 0.694 407 A CB 1.395 20.411 19.000 0.025 0.000 1.277 407 A HN 0.630 nan 8.150 nan 0.000 0.400 408 P HA 0.097 nan 4.420 nan 0.000 0.269 408 P C 0.859 178.170 177.300 0.018 0.000 1.215 408 P CA -0.231 62.892 63.100 0.040 0.000 0.780 408 P CB 0.797 32.518 31.700 0.036 0.000 0.898 409 L N 2.929 124.163 121.223 0.019 0.000 2.079 409 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 409 L C 0.594 177.413 176.870 -0.085 0.000 1.081 409 L CA 1.883 56.681 54.840 -0.070 0.000 0.752 409 L CB 0.034 41.957 42.059 -0.227 0.000 0.896 409 L HN 0.151 nan 8.230 nan 0.000 0.433 410 V N -0.322 119.555 119.914 -0.062 0.000 2.888 410 V HA 0.421 4.541 4.120 -0.000 0.000 0.309 410 V C -0.545 175.537 176.094 -0.021 0.000 1.114 410 V CA -0.751 61.515 62.300 -0.056 0.000 0.940 410 V CB 2.171 33.944 31.823 -0.084 0.000 1.021 410 V HN 0.070 nan 8.190 nan 0.000 0.426 411 R N 2.792 123.281 120.500 -0.019 0.000 2.310 411 R HA 0.578 4.918 4.340 -0.000 0.000 0.316 411 R C 0.854 177.148 176.300 -0.010 0.000 1.004 411 R CA 0.378 56.473 56.100 -0.008 0.000 0.900 411 R CB 1.365 31.662 30.300 -0.006 0.000 1.152 411 R HN 1.138 nan 8.270 nan 0.000 0.513 412 G N 2.556 111.352 108.800 -0.006 0.000 2.620 412 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.315 412 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.315 412 G C 0.665 175.557 174.900 -0.014 0.000 1.179 412 G CA 0.369 45.464 45.100 -0.008 0.000 0.971 412 G HN 0.579 nan 8.290 nan 0.000 0.544 413 R N 0.050 120.541 120.500 -0.016 0.000 2.362 413 R HA 0.475 4.815 4.340 -0.000 0.000 0.227 413 R C 0.344 176.629 176.300 -0.025 0.000 0.905 413 R CA -0.050 56.038 56.100 -0.021 0.000 1.067 413 R CB 0.253 30.541 30.300 -0.019 0.000 1.078 413 R HN 0.423 nan 8.270 nan 0.000 0.516 414 I N 2.749 123.305 120.570 -0.024 0.000 2.339 414 I HA 0.269 4.438 4.170 -0.000 0.000 0.290 414 I C -2.204 173.894 176.117 -0.032 0.000 0.994 414 I CA -2.682 58.603 61.300 -0.026 0.000 1.191 414 I CB 1.765 39.753 38.000 -0.021 0.000 1.343 414 I HN -0.207 nan 8.210 nan 0.000 0.458 415 P HA 0.120 nan 4.420 nan 0.000 0.276 415 P C 0.016 177.290 177.300 -0.042 0.000 1.230 415 P CA -0.287 62.783 63.100 -0.049 0.000 0.776 415 P CB 1.363 33.032 31.700 -0.052 0.000 0.888 416 C N 2.094 121.366 119.300 -0.047 0.000 2.518 416 C HA 0.066 4.526 4.460 -0.000 0.000 0.283 416 C C 1.115 176.075 174.990 -0.051 0.000 1.351 416 C CA 0.054 59.049 59.018 -0.039 0.000 1.745 416 C CB -0.240 27.483 27.740 -0.029 0.000 2.107 416 C HN 0.332 nan 8.230 nan 0.000 0.502 417 V N 3.595 123.469 119.914 -0.067 0.000 2.408 417 V HA 0.503 4.623 4.120 -0.000 0.000 0.267 417 V C 0.149 176.197 176.094 -0.076 0.000 1.047 417 V CA 0.155 62.403 62.300 -0.087 0.000 0.937 417 V CB 0.373 32.133 31.823 -0.105 0.000 0.999 417 V HN 0.371 nan 8.190 nan 0.000 0.472 418 V N 2.002 121.873 119.914 -0.071 0.000 3.164 418 V HA 0.631 4.751 4.120 -0.000 0.000 0.313 418 V C 0.807 176.868 176.094 -0.055 0.000 1.188 418 V CA -0.514 61.754 62.300 -0.054 0.000 1.058 418 V CB 2.099 33.901 31.823 -0.036 0.000 1.110 418 V HN 0.597 nan 8.190 nan 0.000 0.453 419 E N 0.544 120.721 120.200 -0.038 0.000 2.046 419 E HA 0.106 4.456 4.350 -0.000 0.000 0.190 419 E C 0.731 177.315 176.600 -0.026 0.000 0.982 419 E CA 1.233 57.614 56.400 -0.032 0.000 0.800 419 E CB 0.221 29.908 29.700 -0.021 0.000 0.756 419 E HN 0.644 nan 8.360 nan 0.000 0.449 420 K N 0.446 120.835 120.400 -0.018 0.000 2.581 420 K HA 0.200 4.520 4.320 -0.000 0.000 0.249 420 K C -1.058 175.537 176.600 -0.008 0.000 0.966 420 K CA -0.638 55.641 56.287 -0.012 0.000 0.811 420 K CB 1.820 34.317 32.500 -0.006 0.000 1.223 420 K HN 0.083 nan 8.250 nan 0.000 0.438 421 V N 2.666 122.573 119.914 -0.012 0.000 2.963 421 V HA 0.108 4.228 4.120 -0.000 0.000 0.306 421 V C 1.606 177.698 176.094 -0.003 0.000 1.077 421 V CA -0.240 62.055 62.300 -0.008 0.000 1.124 421 V CB 0.534 32.350 31.823 -0.012 0.000 0.987 421 V HN 0.840 nan 8.190 nan 0.000 0.487 422 L N 1.917 123.147 121.223 0.012 0.000 1.989 422 L HA -0.008 4.332 4.340 -0.000 0.000 0.211 422 L C 1.227 178.073 176.870 -0.041 0.000 1.071 422 L CA 1.750 56.599 54.840 0.013 0.000 0.749 422 L CB -0.539 41.567 42.059 0.079 0.000 0.890 422 L HN 0.919 nan 8.230 nan 0.000 0.431 423 T N -0.728 113.807 114.554 -0.032 0.000 2.841 423 T HA 0.295 4.645 4.350 -0.000 0.000 0.285 423 T C -0.240 174.442 174.700 -0.029 0.000 0.991 423 T CA -0.498 61.575 62.100 -0.045 0.000 0.966 423 T CB 1.844 70.684 68.868 -0.045 0.000 0.962 423 T HN -0.093 nan 8.240 nan 0.000 0.438 424 T N 2.950 117.490 114.554 -0.023 0.000 2.729 424 T HA 0.293 4.643 4.350 -0.000 0.000 0.296 424 T C 1.187 175.895 174.700 0.014 0.000 0.928 424 T CA -0.434 61.664 62.100 -0.003 0.000 1.045 424 T CB 0.892 69.758 68.868 -0.003 0.000 0.902 424 T HN 0.389 nan 8.240 nan 0.000 0.500 425 V N 2.640 122.568 119.914 0.024 0.000 2.806 425 V HA 0.129 4.249 4.120 -0.000 0.000 0.239 425 V C 1.151 177.330 176.094 0.142 0.000 1.113 425 V CA 0.604 62.936 62.300 0.053 0.000 1.137 425 V CB 0.348 32.162 31.823 -0.016 0.000 0.865 425 V HN 0.769 nan 8.190 nan 0.000 0.482 426 T N 3.551 118.193 114.554 0.147 0.000 2.786 426 T HA 0.428 4.777 4.350 -0.000 0.000 0.283 426 T C -2.743 172.048 174.700 0.151 0.000 0.992 426 T CA -1.063 61.174 62.100 0.229 0.000 0.954 426 T CB 2.059 71.136 68.868 0.349 0.000 0.934 426 T HN 0.150 nan 8.240 nan 0.000 0.440 427 P HA 0.194 nan 4.420 nan 0.000 0.275 427 P C 1.080 178.421 177.300 0.068 0.000 1.228 427 P CA -0.225 62.892 63.100 0.028 0.000 0.786 427 P CB 0.834 32.476 31.700 -0.097 0.000 0.927 428 G N 2.315 111.163 108.800 0.080 0.000 2.432 428 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 428 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 428 G C 1.598 176.524 174.900 0.043 0.000 1.135 428 G CA 0.822 46.001 45.100 0.131 0.000 0.767 428 G HN 0.598 nan 8.290 nan 0.000 0.550 429 A N 0.472 123.297 122.820 0.009 0.000 2.093 429 A HA -0.024 4.296 4.320 -0.000 0.000 0.222 429 A C 2.504 180.079 177.584 -0.015 0.000 1.162 429 A CA 2.213 54.237 52.037 -0.021 0.000 0.655 429 A CB -0.325 18.658 19.000 -0.028 0.000 0.805 429 A HN 0.312 nan 8.150 nan 0.000 0.461 430 S N -1.523 114.187 115.700 0.017 0.000 2.517 430 S HA 0.223 4.693 4.470 -0.000 0.000 0.214 430 S C 0.356 174.967 174.600 0.019 0.000 0.991 430 S CA -0.008 58.211 58.200 0.031 0.000 0.906 430 S CB 0.209 63.458 63.200 0.081 0.000 0.789 430 S HN 0.223 nan 8.310 nan 0.000 0.513 431 V N 2.756 122.681 119.914 0.018 0.000 2.427 431 V HA 0.309 4.429 4.120 -0.000 0.000 0.286 431 V C 0.122 176.160 176.094 -0.092 0.000 1.034 431 V CA -0.448 61.872 62.300 0.033 0.000 0.893 431 V CB 1.709 33.640 31.823 0.180 0.000 0.982 431 V HN 0.206 nan 8.190 nan 0.000 0.452 432 D N 2.489 122.853 120.400 -0.060 0.000 2.615 432 D HA 0.150 4.790 4.640 -0.000 0.000 0.259 432 D C 0.104 176.360 176.300 -0.073 0.000 0.999 432 D CA 0.962 54.899 54.000 -0.106 0.000 0.938 432 D CB 1.124 41.901 40.800 -0.038 0.000 1.121 432 D HN 0.375 nan 8.370 nan 0.000 0.487 433 V N 1.792 121.733 119.914 0.045 0.000 2.709 433 V HA 0.336 4.456 4.120 -0.000 0.000 0.308 433 V C -0.870 175.341 176.094 0.195 0.000 1.062 433 V CA -1.019 61.352 62.300 0.118 0.000 0.901 433 V CB 2.750 34.619 31.823 0.077 0.000 1.003 433 V HN -0.035 nan 8.190 nan 0.000 0.425 434 L N 5.569 126.952 121.223 0.267 0.000 2.272 434 L HA 0.718 5.058 4.340 -0.000 0.000 0.289 434 L C -0.560 176.370 176.870 0.101 0.000 1.032 434 L CA 0.076 55.019 54.840 0.171 0.000 0.810 434 L CB 1.498 43.627 42.059 0.116 0.000 1.205 434 L HN 0.488 nan 8.230 nan 0.000 0.422 435 V N 4.897 124.852 119.914 0.069 0.000 2.357 435 V HA 0.639 4.759 4.120 -0.000 0.000 0.284 435 V C 0.416 176.530 176.094 0.035 0.000 1.018 435 V CA -0.030 62.295 62.300 0.042 0.000 0.841 435 V CB 1.277 33.116 31.823 0.026 0.000 0.991 435 V HN 0.952 nan 8.190 nan 0.000 0.437 436 T N -0.029 114.546 114.554 0.035 0.000 2.807 436 T HA 0.372 4.722 4.350 -0.000 0.000 0.277 436 T C 0.577 175.306 174.700 0.049 0.000 1.006 436 T CA -0.169 61.959 62.100 0.047 0.000 1.006 436 T CB 1.776 70.677 68.868 0.056 0.000 1.274 436 T HN 0.568 nan 8.240 nan 0.000 0.569 437 D N -1.108 119.346 120.400 0.089 0.000 2.349 437 D HA 0.023 4.663 4.640 -0.000 0.000 0.224 437 D C 0.719 177.010 176.300 -0.016 0.000 1.029 437 D CA 0.638 54.666 54.000 0.048 0.000 0.879 437 D CB -0.423 40.416 40.800 0.063 0.000 0.906 437 D HN 0.697 nan 8.370 nan 0.000 0.528 438 H N -0.563 118.497 119.070 -0.017 0.000 2.581 438 H HA 0.568 5.124 4.556 -0.000 0.000 0.275 438 H C 0.791 176.111 175.328 -0.015 0.000 1.126 438 H CA 0.271 56.310 56.048 -0.016 0.000 1.097 438 H CB 1.057 30.810 29.762 -0.016 0.000 1.626 438 H HN 0.312 nan 8.280 nan 0.000 0.565 439 G N -0.074 108.765 108.800 0.066 0.000 2.353 439 G HA2 0.007 3.967 3.960 -0.000 0.000 0.424 439 G HA3 0.007 3.967 3.960 -0.000 0.000 0.424 439 G C -1.503 173.420 174.900 0.037 0.000 1.320 439 G CA -0.954 44.169 45.100 0.038 0.000 0.995 439 G HN 0.094 nan 8.290 nan 0.000 0.580 440 I N 0.589 121.180 120.570 0.034 0.000 2.465 440 I HA 0.682 4.852 4.170 -0.000 0.000 0.291 440 I C 0.398 176.555 176.117 0.068 0.000 1.014 440 I CA -0.914 60.414 61.300 0.047 0.000 1.093 440 I CB 2.054 40.075 38.000 0.035 0.000 1.267 440 I HN 1.023 nan 8.210 nan 0.000 0.431 441 A N 6.031 128.916 122.820 0.108 0.000 2.343 441 A HA 0.771 5.091 4.320 -0.000 0.000 0.308 441 A C -0.926 176.821 177.584 0.272 0.000 1.092 441 A CA -0.514 51.626 52.037 0.172 0.000 0.751 441 A CB 1.454 20.544 19.000 0.149 0.000 1.203 441 A HN 0.417 nan 8.150 nan 0.000 0.452 442 V N 3.010 123.043 119.914 0.198 0.000 2.472 442 V HA 0.238 4.358 4.120 -0.000 0.000 0.290 442 V C 0.491 176.561 176.094 -0.041 0.000 1.037 442 V CA -1.009 61.340 62.300 0.083 0.000 0.908 442 V CB 1.604 33.444 31.823 0.029 0.000 0.985 442 V HN 0.927 nan 8.190 nan 0.000 0.454 443 N N 6.822 125.242 118.700 -0.466 0.000 2.411 443 N HA 0.049 4.789 4.740 -0.000 0.000 0.265 443 N C -1.337 174.008 175.510 -0.276 0.000 1.266 443 N CA -1.259 51.318 53.050 -0.789 0.000 0.889 443 N CB 1.538 39.468 38.487 -0.928 0.000 1.069 443 N HN 0.358 nan 8.380 nan 0.000 0.476 444 P HA -0.127 nan 4.420 nan 0.000 0.221 444 P C 0.660 177.924 177.300 -0.061 0.000 1.145 444 P CA 0.916 63.985 63.100 -0.050 0.000 0.795 444 P CB 0.094 31.797 31.700 0.005 0.000 0.775 445 A N -0.244 122.517 122.820 -0.097 0.000 2.067 445 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 445 A C 1.508 179.057 177.584 -0.058 0.000 1.158 445 A CA 0.940 52.934 52.037 -0.071 0.000 0.661 445 A CB -0.588 18.362 19.000 -0.084 0.000 0.801 445 A HN -0.009 nan 8.150 nan 0.000 0.452 446 R N 0.106 120.561 120.500 -0.074 0.000 3.436 446 R HA 0.211 4.551 4.340 -0.000 0.000 0.247 446 R C 0.611 176.896 176.300 -0.025 0.000 1.434 446 R CA -0.138 55.936 56.100 -0.043 0.000 1.543 446 R CB 0.360 30.628 30.300 -0.053 0.000 1.289 446 R HN 0.538 nan 8.270 nan 0.000 0.664 447 Q N 1.548 121.338 119.800 -0.017 0.000 2.167 447 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 447 Q C 1.132 177.127 176.000 -0.008 0.000 0.970 447 Q CA 2.012 57.808 55.803 -0.011 0.000 0.855 447 Q CB 0.228 28.961 28.738 -0.008 0.000 0.911 447 Q HN 0.491 nan 8.270 nan 0.000 0.438 448 D N -0.333 120.064 120.400 -0.005 0.000 2.104 448 D HA -0.213 4.427 4.640 -0.000 0.000 0.194 448 D C 1.629 177.923 176.300 -0.010 0.000 0.994 448 D CA 0.992 54.987 54.000 -0.009 0.000 0.830 448 D CB -0.562 40.235 40.800 -0.005 0.000 0.959 448 D HN 0.278 nan 8.370 nan 0.000 0.452 449 L N 0.264 121.490 121.223 0.005 0.000 2.027 449 L HA -0.016 4.324 4.340 -0.000 0.000 0.206 449 L C 2.779 179.653 176.870 0.008 0.000 1.074 449 L CA 1.006 55.855 54.840 0.015 0.000 0.745 449 L CB -0.873 41.204 42.059 0.030 0.000 0.898 449 L HN 0.057 nan 8.230 nan 0.000 0.433 450 L N -0.719 120.504 121.223 0.001 0.000 1.971 450 L HA -0.317 4.023 4.340 -0.000 0.000 0.215 450 L C 2.277 179.145 176.870 -0.003 0.000 1.072 450 L CA 1.628 56.468 54.840 0.001 0.000 0.758 450 L CB -0.720 41.338 42.059 -0.001 0.000 0.889 450 L HN 0.295 nan 8.230 nan 0.000 0.433 451 D N -0.404 119.992 120.400 -0.007 0.000 2.104 451 D HA -0.175 4.465 4.640 -0.000 0.000 0.194 451 D C 1.991 178.283 176.300 -0.014 0.000 0.994 451 D CA 1.132 55.125 54.000 -0.011 0.000 0.830 451 D CB -0.414 40.379 40.800 -0.013 0.000 0.959 451 D HN 0.238 nan 8.370 nan 0.000 0.452 452 N N 0.108 118.801 118.700 -0.013 0.000 2.120 452 N HA -0.063 4.677 4.740 -0.000 0.000 0.188 452 N C 1.997 177.505 175.510 -0.003 0.000 1.024 452 N CA 0.511 53.556 53.050 -0.009 0.000 0.852 452 N CB -0.328 38.151 38.487 -0.013 0.000 1.003 452 N HN 0.236 nan 8.380 nan 0.000 0.424 453 L N 0.362 121.585 121.223 0.000 0.000 2.131 453 L HA 0.000 4.340 4.340 -0.000 0.000 0.206 453 L C 2.374 179.219 176.870 -0.041 0.000 1.087 453 L CA 0.693 55.528 54.840 -0.008 0.000 0.767 453 L CB -0.214 41.853 42.059 0.013 0.000 0.917 453 L HN 0.083 nan 8.230 nan 0.000 0.441 454 R N 0.277 120.760 120.500 -0.028 0.000 2.083 454 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 454 R C 2.402 178.673 176.300 -0.048 0.000 1.137 454 R CA 1.578 57.658 56.100 -0.034 0.000 0.951 454 R CB -0.562 29.726 30.300 -0.020 0.000 0.851 454 R HN 0.336 nan 8.270 nan 0.000 0.434 455 A N 0.707 123.501 122.820 -0.044 0.000 2.019 455 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 455 A C 2.080 179.617 177.584 -0.078 0.000 1.164 455 A CA 1.567 53.576 52.037 -0.047 0.000 0.644 455 A CB -0.350 18.632 19.000 -0.030 0.000 0.805 455 A HN 0.408 nan 8.150 nan 0.000 0.449 456 A N -1.744 120.999 122.820 -0.128 0.000 2.251 456 A HA 0.433 4.753 4.320 -0.000 0.000 0.209 456 A C 1.663 179.080 177.584 -0.277 0.000 1.187 456 A CA 1.039 52.916 52.037 -0.267 0.000 0.823 456 A CB -0.854 17.837 19.000 -0.514 0.000 0.846 456 A HN 1.828 nan 8.150 nan 0.000 0.486 457 G N -0.836 107.868 108.800 -0.161 0.000 2.176 457 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.252 457 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.252 457 G C 0.080 174.910 174.900 -0.116 0.000 1.024 457 G CA 0.172 45.201 45.100 -0.118 0.000 0.755 457 G HN 0.766 nan 8.290 nan 0.000 0.507 458 V N 0.918 120.758 119.914 -0.123 0.000 2.427 458 V HA 0.564 4.684 4.120 -0.000 0.000 0.268 458 V C 1.124 177.193 176.094 -0.042 0.000 1.046 458 V CA -0.052 62.203 62.300 -0.075 0.000 0.970 458 V CB 1.042 32.834 31.823 -0.052 0.000 1.001 458 V HN 1.125 nan 8.190 nan 0.000 0.476 459 A N 7.385 130.186 122.820 -0.032 0.000 2.451 459 A HA 0.603 4.923 4.320 -0.000 0.000 0.266 459 A C -0.179 177.401 177.584 -0.005 0.000 1.119 459 A CA -0.057 51.968 52.037 -0.019 0.000 0.786 459 A CB -0.134 18.854 19.000 -0.019 0.000 1.061 459 A HN 0.805 nan 8.150 nan 0.000 0.503 463 I N 1.981 122.563 120.570 0.020 0.000 2.454 463 I HA -0.065 4.104 4.170 -0.000 0.000 0.254 463 I C 1.872 177.933 176.117 -0.093 0.000 1.156 463 I CA 1.630 62.861 61.300 -0.115 0.000 1.433 463 I CB 0.175 37.925 38.000 -0.417 0.000 1.082 463 I HN 0.753 nan 8.210 nan 0.000 0.432 464 E N 0.474 120.649 120.200 -0.042 0.000 2.110 464 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 464 E C 2.127 178.710 176.600 -0.028 0.000 0.988 464 E CA 1.249 57.630 56.400 -0.032 0.000 0.804 464 E CB -0.144 29.550 29.700 -0.009 0.000 0.745 464 E HN 0.549 nan 8.360 nan 0.000 0.458 465 Q N -0.109 119.682 119.800 -0.015 0.000 2.084 465 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 465 Q C 2.225 178.212 176.000 -0.022 0.000 0.978 465 Q CA 1.020 56.817 55.803 -0.011 0.000 0.844 465 Q CB -0.119 28.620 28.738 0.003 0.000 0.898 465 Q HN 0.297 nan 8.270 nan 0.000 0.426 466 L N 0.511 121.716 121.223 -0.031 0.000 2.083 466 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 466 L C 2.731 179.559 176.870 -0.069 0.000 1.083 466 L CA 0.906 55.719 54.840 -0.044 0.000 0.752 466 L CB -0.434 41.595 42.059 -0.050 0.000 0.899 466 L HN 0.337 nan 8.230 nan 0.000 0.433 467 Q N 0.425 120.181 119.800 -0.073 0.000 2.050 467 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 467 Q C 2.109 178.074 176.000 -0.059 0.000 0.980 467 Q CA 1.855 57.615 55.803 -0.072 0.000 0.840 467 Q CB -0.057 28.638 28.738 -0.072 0.000 0.898 467 Q HN 0.557 nan 8.270 nan 0.000 0.424 468 Q N -0.339 119.434 119.800 -0.046 0.000 2.167 468 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 468 Q C 2.091 178.066 176.000 -0.042 0.000 0.970 468 Q CA 1.494 57.275 55.803 -0.036 0.000 0.855 468 Q CB -0.064 28.660 28.738 -0.024 0.000 0.911 468 Q HN 0.099 nan 8.270 nan 0.000 0.438 469 R N 0.681 121.152 120.500 -0.049 0.000 2.092 469 R HA -0.042 4.298 4.340 -0.000 0.000 0.231 469 R C 1.904 178.143 176.300 -0.101 0.000 1.119 469 R CA 1.505 57.568 56.100 -0.062 0.000 0.970 469 R CB -0.587 29.681 30.300 -0.053 0.000 0.864 469 R HN 0.225 nan 8.270 nan 0.000 0.440 470 A N 0.382 123.135 122.820 -0.111 0.000 1.933 470 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 470 A C 2.101 179.636 177.584 -0.082 0.000 1.175 470 A CA 1.650 53.616 52.037 -0.119 0.000 0.628 470 A CB -0.588 18.347 19.000 -0.109 0.000 0.814 470 A HN 0.568 nan 8.150 nan 0.000 0.444 471 E N -0.713 119.450 120.200 -0.062 0.000 2.150 471 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 471 E C 2.145 178.721 176.600 -0.041 0.000 0.985 471 E CA 1.028 57.401 56.400 -0.046 0.000 0.814 471 E CB -0.103 29.575 29.700 -0.037 0.000 0.752 471 E HN 0.781 nan 8.360 nan 0.000 0.466 472 Q N 0.043 119.817 119.800 -0.043 0.000 2.167 472 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 472 Q C 1.882 177.861 176.000 -0.035 0.000 0.970 472 Q CA 0.934 56.717 55.803 -0.034 0.000 0.855 472 Q CB 0.162 28.883 28.738 -0.029 0.000 0.911 472 Q HN 0.336 nan 8.270 nan 0.000 0.438 473 L N -0.652 120.541 121.223 -0.050 0.000 2.529 473 L HA 0.080 4.420 4.340 -0.000 0.000 0.223 473 L C 1.520 178.365 176.870 -0.041 0.000 1.113 473 L CA 1.008 55.819 54.840 -0.048 0.000 0.861 473 L CB 0.419 42.431 42.059 -0.079 0.000 1.012 473 L HN 0.297 nan 8.230 nan 0.000 0.461 474 T N -4.632 109.897 114.554 -0.042 0.000 3.087 474 T HA 0.416 4.766 4.350 -0.000 0.000 0.283 474 T C 0.871 175.553 174.700 -0.029 0.000 0.956 474 T CA 0.219 62.298 62.100 -0.035 0.000 0.894 474 T CB 0.787 69.631 68.868 -0.041 0.000 1.160 474 T HN 0.276 nan 8.240 nan 0.000 0.532 475 G N 1.908 110.691 108.800 -0.028 0.000 2.860 475 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.553 475 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.553 475 G C -0.793 174.092 174.900 -0.024 0.000 1.439 475 G CA -0.772 44.313 45.100 -0.024 0.000 0.879 475 G HN 0.606 nan 8.290 nan 0.000 0.545 476 K N 1.688 122.076 120.400 -0.021 0.000 2.383 476 K HA 0.322 4.642 4.320 -0.000 0.000 0.286 476 K C -1.853 174.736 176.600 -0.020 0.000 1.051 476 K CA -0.804 55.471 56.287 -0.020 0.000 0.974 476 K CB 0.744 33.235 32.500 -0.016 0.000 0.968 476 K HN 0.350 nan 8.250 nan 0.000 0.475 477 P HA 0.119 nan 4.420 nan 0.000 0.287 477 P C -1.273 176.016 177.300 -0.019 0.000 1.281 477 P CA -0.636 62.452 63.100 -0.021 0.000 0.781 477 P CB 0.927 32.615 31.700 -0.020 0.000 0.903 478 Q N 3.935 123.721 119.800 -0.024 0.000 2.274 478 Q HA 0.226 4.566 4.340 -0.000 0.000 0.280 478 Q C -1.796 174.185 176.000 -0.031 0.000 1.047 478 Q CA -0.691 55.097 55.803 -0.026 0.000 0.907 478 Q CB -1.169 27.550 28.738 -0.031 0.000 1.171 478 Q HN 0.407 nan 8.270 nan 0.000 0.381 479 P HA -0.025 nan 4.420 nan 0.000 0.269 479 P C -0.711 176.538 177.300 -0.085 0.000 1.211 479 P CA -0.144 62.944 63.100 -0.019 0.000 0.781 479 P CB 0.505 32.214 31.700 0.014 0.000 0.877 480 I N 0.908 121.379 120.570 -0.164 0.000 2.612 480 I HA 0.083 4.253 4.170 -0.000 0.000 0.295 480 I C 0.966 176.784 176.117 -0.497 0.000 1.011 480 I CA -0.048 61.020 61.300 -0.388 0.000 1.326 480 I CB 0.323 37.957 38.000 -0.610 0.000 1.427 480 I HN 0.197 nan 8.210 nan 0.000 0.537 481 E N 4.966 124.907 120.200 -0.432 0.000 1.941 481 E HA 0.223 4.573 4.350 -0.000 0.000 0.275 481 E C -1.026 175.363 176.600 -0.352 0.000 1.113 481 E CA -0.086 56.138 56.400 -0.292 0.000 0.878 481 E CB 0.109 29.717 29.700 -0.154 0.000 1.070 481 E HN 0.215 nan 8.360 nan 0.000 0.399 482 F N 0.856 120.800 119.950 -0.011 0.000 2.377 482 F HA 0.168 4.695 4.527 -0.000 0.000 0.328 482 F C 1.678 177.472 175.800 -0.009 0.000 1.094 482 F CA -0.649 57.345 58.000 -0.011 0.000 1.093 482 F CB 0.752 39.746 39.000 -0.011 0.000 1.214 482 F HN 0.112 nan 8.300 nan 0.000 0.518 483 T N -2.792 111.881 114.554 0.199 0.000 2.852 483 T HA 0.202 4.552 4.350 -0.000 0.000 0.281 483 T C 0.595 175.352 174.700 0.095 0.000 0.993 483 T CA -0.694 61.470 62.100 0.108 0.000 0.933 483 T CB 0.755 69.664 68.868 0.068 0.000 1.187 483 T HN 0.501 nan 8.240 nan 0.000 0.559 484 D N -0.533 119.898 120.400 0.052 0.000 2.347 484 D HA 0.017 4.657 4.640 -0.000 0.000 0.215 484 D C 0.987 177.295 176.300 0.013 0.000 0.976 484 D CA 0.352 54.368 54.000 0.026 0.000 0.884 484 D CB -0.040 40.770 40.800 0.017 0.000 0.915 484 D HN 0.483 nan 8.370 nan 0.000 0.526 485 R N 1.353 121.868 120.500 0.024 0.000 2.449 485 R HA 0.145 4.485 4.340 -0.000 0.000 0.296 485 R C -0.620 175.681 176.300 0.002 0.000 1.047 485 R CA -0.116 55.992 56.100 0.014 0.000 1.018 485 R CB 0.574 30.888 30.300 0.023 0.000 0.962 485 R HN -0.280 nan 8.270 nan 0.000 0.428 486 V N 6.336 126.242 119.914 -0.014 0.000 2.455 486 V HA 0.027 4.147 4.120 -0.000 0.000 0.273 486 V C 0.840 176.919 176.094 -0.024 0.000 1.045 486 V CA -0.077 62.205 62.300 -0.031 0.000 0.976 486 V CB 1.406 33.206 31.823 -0.038 0.000 0.993 486 V HN 0.805 nan 8.190 nan 0.000 0.475 487 V N 4.319 124.217 119.914 -0.027 0.000 3.263 487 V HA 0.505 4.625 4.120 -0.000 0.000 0.248 487 V C 0.706 176.778 176.094 -0.036 0.000 1.145 487 V CA 1.193 63.482 62.300 -0.018 0.000 1.107 487 V CB 0.847 32.673 31.823 0.004 0.000 0.797 487 V HN 0.917 nan 8.190 nan 0.000 0.467 488 A N -0.786 122.003 122.820 -0.052 0.000 2.574 488 A HA 0.704 5.024 4.320 -0.000 0.000 0.297 488 A C -1.482 176.057 177.584 -0.074 0.000 1.062 488 A CA -0.344 51.652 52.037 -0.069 0.000 0.686 488 A CB 1.936 20.896 19.000 -0.066 0.000 1.285 488 A HN -0.066 nan 8.150 nan 0.000 0.403 489 V N 2.006 121.868 119.914 -0.087 0.000 2.384 489 V HA 0.368 4.488 4.120 -0.000 0.000 0.287 489 V C -0.135 175.922 176.094 -0.062 0.000 1.020 489 V CA -0.585 61.672 62.300 -0.071 0.000 0.850 489 V CB 1.446 33.226 31.823 -0.071 0.000 0.987 489 V HN 0.649 nan 8.190 nan 0.000 0.436 490 V N 6.701 126.593 119.914 -0.037 0.000 2.372 490 V HA 0.326 4.446 4.120 -0.000 0.000 0.261 490 V C 0.506 176.620 176.094 0.033 0.000 1.055 490 V CA -0.572 61.722 62.300 -0.011 0.000 0.930 490 V CB 0.329 32.149 31.823 -0.005 0.000 1.031 490 V HN 0.703 nan 8.190 nan 0.000 0.479 491 R N 3.792 124.320 120.500 0.047 0.000 2.221 491 R HA 0.275 4.615 4.340 -0.000 0.000 0.327 491 R C -0.370 176.010 176.300 0.134 0.000 1.033 491 R CA -0.626 55.529 56.100 0.091 0.000 0.887 491 R CB 0.778 31.136 30.300 0.097 0.000 1.057 491 R HN 0.652 nan 8.270 nan 0.000 0.455 492 Y N 3.782 124.102 120.300 0.034 0.000 2.550 492 Y HA -0.122 4.428 4.550 -0.000 0.000 0.343 492 Y C 1.954 177.884 175.900 0.049 0.000 1.245 492 Y CA 0.038 58.160 58.100 0.037 0.000 1.462 492 Y CB 0.768 39.243 38.460 0.026 0.000 1.340 492 Y HN 0.592 nan 8.280 nan 0.000 0.604 493 R N 1.115 121.209 120.500 -0.678 0.000 2.154 493 R HA -0.227 4.113 4.340 -0.000 0.000 0.248 493 R C 0.671 176.835 176.300 -0.228 0.000 1.155 493 R CA 2.090 57.927 56.100 -0.438 0.000 0.979 493 R CB -0.890 29.081 30.300 -0.548 0.000 0.869 493 R HN 0.752 nan 8.270 nan 0.000 0.452 494 D N -0.630 119.681 120.400 -0.149 0.000 2.352 494 D HA 0.080 4.720 4.640 -0.000 0.000 0.232 494 D C 1.189 177.520 176.300 0.050 0.000 1.055 494 D CA 0.705 54.715 54.000 0.017 0.000 0.891 494 D CB 0.278 41.149 40.800 0.118 0.000 0.897 494 D HN 0.535 nan 8.370 nan 0.000 0.529 495 G N -0.026 108.804 108.800 0.049 0.000 2.241 495 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.244 495 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.244 495 G C 0.541 175.498 174.900 0.094 0.000 0.998 495 G CA 0.451 45.593 45.100 0.069 0.000 0.621 495 G HN 0.873 nan 8.290 nan 0.000 0.519 496 S N -0.554 115.221 115.700 0.125 0.000 2.608 496 S HA 0.621 5.091 4.470 -0.000 0.000 0.261 496 S C 0.523 175.192 174.600 0.115 0.000 1.314 496 S CA 0.190 58.456 58.200 0.110 0.000 0.992 496 S CB 1.952 65.218 63.200 0.111 0.000 0.935 496 S HN 1.869 nan 8.310 nan 0.000 0.564 497 V N 1.692 121.649 119.914 0.071 0.000 2.394 497 V HA 0.521 4.641 4.120 -0.000 0.000 0.282 497 V C 0.244 176.361 176.094 0.038 0.000 1.031 497 V CA -0.584 61.749 62.300 0.054 0.000 0.881 497 V CB 0.829 32.666 31.823 0.024 0.000 0.982 497 V HN 1.041 nan 8.190 nan 0.000 0.451 498 I N 3.494 124.093 120.570 0.047 0.000 3.939 498 I HA 0.435 4.605 4.170 -0.000 0.000 0.313 498 I C 0.256 176.368 176.117 -0.008 0.000 1.274 498 I CA 0.502 61.810 61.300 0.013 0.000 1.301 498 I CB 0.457 38.483 38.000 0.043 0.000 1.105 498 I HN 0.822 nan 8.210 nan 0.000 0.427 499 D N -0.648 119.747 120.400 -0.008 0.000 2.725 499 D HA 0.367 5.007 4.640 -0.000 0.000 0.292 499 D C -1.504 174.769 176.300 -0.045 0.000 1.288 499 D CA 0.042 54.022 54.000 -0.034 0.000 0.784 499 D CB 2.298 43.075 40.800 -0.038 0.000 1.308 499 D HN -0.096 nan 8.370 nan 0.000 0.429 500 V N -1.180 118.692 119.914 -0.071 0.000 2.962 500 V HA 0.747 4.867 4.120 -0.000 0.000 0.313 500 V C -0.434 175.588 176.094 -0.121 0.000 1.099 500 V CA -0.761 61.489 62.300 -0.083 0.000 0.971 500 V CB 1.758 33.533 31.823 -0.080 0.000 1.028 500 V HN 0.502 nan 8.190 nan 0.000 0.430 501 I N 2.936 123.438 120.570 -0.112 0.000 2.377 501 I HA 0.611 4.781 4.170 -0.000 0.000 0.293 501 I C 0.466 176.503 176.117 -0.134 0.000 0.987 501 I CA -0.471 60.747 61.300 -0.137 0.000 1.185 501 I CB 1.604 39.558 38.000 -0.076 0.000 1.341 501 I HN 0.636 nan 8.210 nan 0.000 0.455 502 R N 3.671 124.036 120.500 -0.224 0.000 2.674 502 R HA 0.363 4.703 4.340 -0.000 0.000 0.266 502 R C -0.333 176.028 176.300 0.103 0.000 1.016 502 R CA -0.862 55.171 56.100 -0.111 0.000 1.062 502 R CB 1.128 31.305 30.300 -0.204 0.000 1.142 502 R HN 0.562 nan 8.270 nan 0.000 0.517 503 Q N 1.317 121.197 119.800 0.133 0.000 2.352 503 Q HA 0.132 4.472 4.340 -0.000 0.000 0.260 503 Q C -1.007 175.142 176.000 0.248 0.000 0.976 503 Q CA -0.124 55.770 55.803 0.151 0.000 0.881 503 Q CB 1.044 29.831 28.738 0.083 0.000 1.235 503 Q HN 0.297 nan 8.270 nan 0.000 0.419 504 V N 5.304 125.309 119.914 0.152 0.000 2.383 504 V HA 0.204 4.324 4.120 -0.000 0.000 0.275 504 V C 0.274 176.353 176.094 -0.025 0.000 1.036 504 V CA -0.478 61.832 62.300 0.017 0.000 0.889 504 V CB 1.254 33.060 31.823 -0.029 0.000 0.985 504 V HN 0.826 nan 8.190 nan 0.000 0.459 505 K N 0.000 120.361 120.400 -0.066 0.000 2.780 505 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 505 K CA 0.000 56.256 56.287 -0.052 0.000 0.838 505 K CB 0.000 32.464 32.500 -0.059 0.000 1.064 505 K HN 0.000 nan 8.250 nan 0.000 0.543