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 2xfu_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.502 175.510 -0.014 0.000 1.280 3 N CA 0.000 52.937 53.050 -0.189 0.000 0.885 3 N CB 0.000 38.417 38.487 -0.117 0.000 1.341 4 K N 1.343 121.756 120.400 0.021 0.000 2.159 4 K HA 0.628 4.948 4.320 -0.000 0.000 0.266 4 K C -0.144 176.499 176.600 0.072 0.000 0.975 4 K CA -0.489 55.825 56.287 0.046 0.000 0.865 4 K CB 2.268 34.780 32.500 0.021 0.000 1.087 4 K HN 0.593 nan 8.250 nan 0.000 0.446 5 C N -1.261 118.084 119.300 0.076 0.000 3.295 5 C HA 0.352 4.812 4.460 -0.000 0.000 0.341 5 C C 0.594 175.621 174.990 0.063 0.000 1.418 5 C CA -0.811 58.251 59.018 0.073 0.000 1.240 5 C CB 0.922 28.718 27.740 0.094 0.000 1.562 5 C HN 0.823 nan 8.230 nan 0.000 0.457 6 D N 0.257 120.696 120.400 0.064 0.000 2.137 6 D HA 0.129 4.769 4.640 -0.000 0.000 0.202 6 D C 0.390 176.754 176.300 0.105 0.000 0.970 6 D CA 1.656 55.702 54.000 0.077 0.000 0.837 6 D CB 0.309 41.152 40.800 0.072 0.000 0.981 6 D HN 0.507 nan 8.370 nan 0.000 0.475 7 V N 1.290 121.257 119.914 0.087 0.000 2.686 7 V HA 0.239 4.359 4.120 -0.000 0.000 0.306 7 V C -0.204 175.921 176.094 0.050 0.000 1.065 7 V CA -0.869 61.485 62.300 0.090 0.000 0.894 7 V CB 2.860 34.728 31.823 0.075 0.000 1.004 7 V HN -0.262 nan 8.190 nan 0.000 0.424 8 V N 5.125 125.063 119.914 0.041 0.000 2.407 8 V HA 0.407 4.527 4.120 -0.000 0.000 0.278 8 V C -0.058 176.028 176.094 -0.013 0.000 1.037 8 V CA -0.395 61.899 62.300 -0.011 0.000 0.900 8 V CB 1.801 33.611 31.823 -0.021 0.000 0.983 8 V HN 0.636 nan 8.190 nan 0.000 0.459 9 V N 6.192 126.083 119.914 -0.038 0.000 2.370 9 V HA 0.331 4.451 4.120 -0.000 0.000 0.279 9 V C -0.003 176.063 176.094 -0.047 0.000 1.029 9 V CA -0.589 61.694 62.300 -0.028 0.000 0.870 9 V CB 1.779 33.589 31.823 -0.021 0.000 0.984 9 V HN 0.603 nan 8.190 nan 0.000 0.451 10 V N 4.546 124.445 119.914 -0.026 0.000 2.353 10 V HA 0.812 4.932 4.120 -0.000 0.000 0.264 10 V C 0.683 176.779 176.094 0.003 0.000 1.049 10 V CA 0.410 62.696 62.300 -0.024 0.000 0.896 10 V CB 0.358 32.182 31.823 0.001 0.000 1.025 10 V HN 1.266 nan 8.190 nan 0.000 0.475 11 G N 3.536 112.326 108.800 -0.016 0.000 3.226 11 G HA2 0.235 4.195 3.960 -0.000 0.000 0.685 11 G HA3 0.235 4.195 3.960 -0.000 0.000 0.685 11 G C 0.024 174.926 174.900 0.003 0.000 1.207 11 G CA -0.502 44.603 45.100 0.008 0.000 0.877 11 G HN 1.159 nan 8.290 nan 0.000 0.585 12 G N 0.634 109.434 108.800 0.001 0.000 4.098 12 G HA2 0.679 4.639 3.960 -0.000 0.000 0.300 12 G HA3 0.679 4.639 3.960 -0.000 0.000 0.300 12 G C 0.859 175.776 174.900 0.029 0.000 1.187 12 G CA 0.937 46.038 45.100 0.003 0.000 0.964 12 G HN 1.280 nan 8.290 nan 0.000 0.559 13 G N -0.121 108.708 108.800 0.048 0.000 2.535 13 G HA2 0.351 4.311 3.960 -0.000 0.000 0.282 13 G HA3 0.351 4.311 3.960 -0.000 0.000 0.282 13 G C 1.204 176.134 174.900 0.050 0.000 1.350 13 G CA -0.768 44.371 45.100 0.065 0.000 1.039 13 G HN 0.134 nan 8.290 nan 0.000 0.509 14 I N -0.526 120.076 120.570 0.054 0.000 2.248 14 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 14 I C 3.010 179.153 176.117 0.043 0.000 1.107 14 I CA 1.670 62.995 61.300 0.041 0.000 1.373 14 I CB -0.084 37.944 38.000 0.048 0.000 1.055 14 I HN 0.465 nan 8.210 nan 0.000 0.418 15 S N 0.412 116.150 115.700 0.062 0.000 2.355 15 S HA -0.113 4.356 4.470 -0.000 0.000 0.222 15 S C 2.095 176.723 174.600 0.046 0.000 1.031 15 S CA 1.556 59.796 58.200 0.066 0.000 0.993 15 S CB -0.565 62.693 63.200 0.097 0.000 0.859 15 S HN 0.576 nan 8.310 nan 0.000 0.453 16 G N 1.594 110.420 108.800 0.043 0.000 2.421 16 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 16 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 16 G C 1.454 176.357 174.900 0.005 0.000 1.171 16 G CA 0.956 46.070 45.100 0.024 0.000 0.775 16 G HN 0.385 nan 8.290 nan 0.000 0.543 17 M N 1.295 120.897 119.600 0.002 0.000 2.117 17 M HA 0.034 4.514 4.480 -0.000 0.000 0.262 17 M C 2.996 179.288 176.300 -0.013 0.000 1.065 17 M CA 1.284 56.576 55.300 -0.014 0.000 1.114 17 M CB -1.364 31.227 32.600 -0.016 0.000 1.361 17 M HN 0.319 nan 8.290 nan 0.000 0.408 18 A N 0.162 122.981 122.820 -0.003 0.000 1.902 18 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 18 A C 2.460 180.041 177.584 -0.005 0.000 1.181 18 A CA 2.125 54.161 52.037 -0.003 0.000 0.623 18 A CB -0.914 18.090 19.000 0.007 0.000 0.818 18 A HN 0.473 nan 8.150 nan 0.000 0.443 19 A N -0.078 122.740 122.820 -0.003 0.000 1.877 19 A HA 0.143 4.463 4.320 -0.000 0.000 0.216 19 A C 2.531 180.109 177.584 -0.009 0.000 1.186 19 A CA 2.228 54.257 52.037 -0.013 0.000 0.620 19 A CB -1.088 17.906 19.000 -0.010 0.000 0.822 19 A HN 1.062 nan 8.150 nan 0.000 0.443 20 A N -0.322 122.495 122.820 -0.006 0.000 1.902 20 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 20 A C 2.139 179.736 177.584 0.022 0.000 1.181 20 A CA 2.024 54.062 52.037 0.001 0.000 0.623 20 A CB -0.496 18.493 19.000 -0.019 0.000 0.818 20 A HN 0.566 nan 8.150 nan 0.000 0.443 21 K N -0.424 119.978 120.400 0.003 0.000 2.032 21 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 21 K C 1.997 178.637 176.600 0.067 0.000 1.048 21 K CA 1.700 58.001 56.287 0.024 0.000 0.927 21 K CB -0.337 32.160 32.500 -0.004 0.000 0.712 21 K HN 0.465 nan 8.250 nan 0.000 0.441 22 L N 1.073 122.312 121.223 0.027 0.000 2.017 22 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 22 L C 2.208 179.087 176.870 0.014 0.000 1.073 22 L CA 1.237 56.084 54.840 0.012 0.000 0.745 22 L CB -0.174 41.875 42.059 -0.015 0.000 0.894 22 L HN 0.257 nan 8.230 nan 0.000 0.432 23 L N -0.986 120.245 121.223 0.014 0.000 2.083 23 L HA -0.271 4.069 4.340 -0.000 0.000 0.209 23 L C 2.594 179.487 176.870 0.037 0.000 1.083 23 L CA 1.538 56.383 54.840 0.008 0.000 0.752 23 L CB -0.859 41.201 42.059 0.002 0.000 0.899 23 L HN 0.442 nan 8.230 nan 0.000 0.433 24 H N 0.280 119.337 119.070 -0.021 0.000 2.321 24 H HA -0.188 4.368 4.556 -0.000 0.000 0.300 24 H C 1.809 177.128 175.328 -0.014 0.000 1.087 24 H CA 1.981 58.021 56.048 -0.014 0.000 1.319 24 H CB 0.034 29.788 29.762 -0.014 0.000 1.379 24 H HN 0.202 nan 8.280 nan 0.000 0.501 25 D N -0.385 120.035 120.400 0.033 0.000 2.221 25 D HA -0.101 4.539 4.640 -0.000 0.000 0.204 25 D C 1.776 178.032 176.300 -0.074 0.000 0.982 25 D CA 1.237 55.217 54.000 -0.033 0.000 0.857 25 D CB -0.232 40.586 40.800 0.031 0.000 0.934 25 D HN 0.343 nan 8.370 nan 0.000 0.475 26 S N -1.061 114.604 115.700 -0.059 0.000 2.603 26 S HA 0.250 4.720 4.470 -0.000 0.000 0.220 26 S C 1.604 176.161 174.600 -0.071 0.000 0.967 26 S CA 0.555 58.721 58.200 -0.056 0.000 0.920 26 S CB 0.557 63.731 63.200 -0.043 0.000 0.773 26 S HN 0.453 nan 8.310 nan 0.000 0.529 27 G N 1.039 109.770 108.800 -0.116 0.000 2.157 27 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.239 27 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.239 27 G C -0.012 174.845 174.900 -0.073 0.000 0.982 27 G CA -0.222 44.810 45.100 -0.112 0.000 0.650 27 G HN 0.441 nan 8.290 nan 0.000 0.527 28 L N 0.705 121.898 121.223 -0.049 0.000 2.418 28 L HA 0.397 4.737 4.340 -0.000 0.000 0.265 28 L C 0.267 177.147 176.870 0.017 0.000 1.143 28 L CA -0.996 53.839 54.840 -0.007 0.000 0.809 28 L CB 0.578 42.641 42.059 0.006 0.000 1.124 28 L HN 0.022 nan 8.230 nan 0.000 0.456 29 N N 2.149 120.870 118.700 0.035 0.000 2.408 29 N HA 0.284 5.024 4.740 -0.000 0.000 0.257 29 N C -0.677 174.872 175.510 0.066 0.000 1.064 29 N CA -0.088 52.996 53.050 0.057 0.000 0.952 29 N CB 1.661 40.179 38.487 0.051 0.000 1.093 29 N HN 0.363 nan 8.380 nan 0.000 0.490 30 V N 0.063 120.024 119.914 0.078 0.000 2.769 30 V HA 0.747 4.867 4.120 -0.000 0.000 0.312 30 V C -0.166 175.948 176.094 0.033 0.000 1.061 30 V CA -0.744 61.588 62.300 0.053 0.000 0.931 30 V CB 1.980 33.833 31.823 0.050 0.000 1.010 30 V HN 0.166 nan 8.190 nan 0.000 0.433 31 V N 3.438 123.351 119.914 -0.002 0.000 2.656 31 V HA 0.584 4.704 4.120 -0.000 0.000 0.307 31 V C -0.385 175.650 176.094 -0.099 0.000 1.051 31 V CA -0.568 61.700 62.300 -0.054 0.000 0.893 31 V CB 2.078 33.851 31.823 -0.083 0.000 0.999 31 V HN 0.839 nan 8.190 nan 0.000 0.426 32 V N 5.739 125.586 119.914 -0.111 0.000 2.370 32 V HA 0.472 4.592 4.120 -0.000 0.000 0.283 32 V C -0.286 175.713 176.094 -0.159 0.000 1.023 32 V CA -0.448 61.787 62.300 -0.109 0.000 0.857 32 V CB 1.512 33.292 31.823 -0.072 0.000 0.985 32 V HN 0.621 nan 8.190 nan 0.000 0.443 33 L N 4.482 125.598 121.223 -0.178 0.000 2.265 33 L HA 0.629 4.969 4.340 -0.000 0.000 0.289 33 L C -0.225 176.564 176.870 -0.135 0.000 1.033 33 L CA -0.362 54.357 54.840 -0.202 0.000 0.814 33 L CB 1.463 43.365 42.059 -0.261 0.000 1.203 33 L HN 0.600 nan 8.230 nan 0.000 0.423 34 E N 2.294 122.418 120.200 -0.126 0.000 2.176 34 E HA 0.486 4.836 4.350 -0.000 0.000 0.267 34 E C 0.261 176.758 176.600 -0.172 0.000 0.893 34 E CA -0.366 55.962 56.400 -0.119 0.000 0.761 34 E CB 2.061 31.714 29.700 -0.078 0.000 1.133 34 E HN 0.554 nan 8.360 nan 0.000 0.409 35 A N 5.463 128.118 122.820 -0.276 0.000 1.930 35 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 35 A C 1.058 178.411 177.584 -0.385 0.000 1.175 35 A CA 0.957 52.693 52.037 -0.503 0.000 0.627 35 A CB -0.141 18.158 19.000 -1.169 0.000 0.815 35 A HN 0.580 nan 8.150 nan 0.000 0.443 36 R N 0.008 120.366 120.500 -0.237 0.000 2.546 36 R HA 0.244 4.584 4.340 -0.000 0.000 0.266 36 R C 0.034 176.295 176.300 -0.064 0.000 1.086 36 R CA 0.107 56.143 56.100 -0.106 0.000 1.160 36 R CB 0.220 30.497 30.300 -0.039 0.000 1.138 36 R HN 0.438 nan 8.270 nan 0.000 0.567 37 D N 0.553 120.933 120.400 -0.034 0.000 2.332 37 D HA -0.042 4.598 4.640 -0.000 0.000 0.244 37 D C -0.028 176.272 176.300 0.001 0.000 1.136 37 D CA 0.146 54.137 54.000 -0.016 0.000 0.884 37 D CB -0.081 40.715 40.800 -0.006 0.000 0.906 37 D HN 0.436 nan 8.370 nan 0.000 0.520 38 R N -1.389 119.113 120.500 0.003 0.000 2.781 38 R HA 0.606 4.946 4.340 -0.000 0.000 0.269 38 R C -0.853 175.467 176.300 0.034 0.000 1.025 38 R CA -1.132 54.989 56.100 0.035 0.000 0.914 38 R CB 1.202 31.546 30.300 0.073 0.000 1.236 38 R HN -0.096 nan 8.270 nan 0.000 0.465 39 V N -1.832 118.113 119.914 0.052 0.000 3.096 39 V HA 0.888 5.008 4.120 -0.000 0.000 0.319 39 V C 0.820 176.972 176.094 0.098 0.000 1.082 39 V CA 0.328 62.659 62.300 0.051 0.000 1.022 39 V CB 0.883 32.721 31.823 0.025 0.000 1.103 39 V HN 1.204 nan 8.190 nan 0.000 0.455 40 G N -0.576 108.282 108.800 0.096 0.000 2.352 40 G HA2 0.167 4.127 3.960 -0.000 0.000 0.204 40 G HA3 0.167 4.127 3.960 -0.000 0.000 0.204 40 G C 1.543 176.538 174.900 0.157 0.000 1.004 40 G CA 0.703 45.881 45.100 0.131 0.000 0.648 40 G HN 2.576 nan 8.290 nan 0.000 0.491 41 G N 0.692 109.596 108.800 0.173 0.000 2.665 41 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.326 41 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.326 41 G C 0.994 176.068 174.900 0.291 0.000 1.231 41 G CA 1.549 46.773 45.100 0.207 0.000 0.992 41 G HN 1.163 nan 8.290 nan 0.000 0.549 42 R N 1.786 122.354 120.500 0.112 0.000 2.323 42 R HA 0.197 4.537 4.340 -0.000 0.000 0.198 42 R C 1.050 177.232 176.300 -0.197 0.000 0.988 42 R CA 1.066 57.028 56.100 -0.230 0.000 1.041 42 R CB -0.216 29.929 30.300 -0.259 0.000 0.926 42 R HN 0.697 nan 8.270 nan 0.000 0.476 43 T N -2.337 112.271 114.554 0.090 0.000 2.795 43 T HA 0.332 4.682 4.350 -0.000 0.000 0.282 43 T C -0.962 173.974 174.700 0.392 0.000 0.980 43 T CA -0.637 61.569 62.100 0.176 0.000 1.012 43 T CB 1.469 70.410 68.868 0.123 0.000 0.936 43 T HN 0.097 nan 8.240 nan 0.000 0.457 44 Y N 1.687 122.153 120.300 0.276 0.000 2.307 44 Y HA 0.433 4.983 4.550 -0.000 0.000 0.323 44 Y C -1.025 174.996 175.900 0.202 0.000 1.100 44 Y CA -0.886 57.374 58.100 0.266 0.000 1.140 44 Y CB 1.571 40.251 38.460 0.366 0.000 1.159 44 Y HN 0.861 nan 8.280 nan 0.000 0.436 45 T N 7.795 122.206 114.554 -0.237 0.000 2.753 45 T HA 0.406 4.756 4.350 -0.000 0.000 0.297 45 T C -0.830 173.564 174.700 -0.511 0.000 0.981 45 T CA -0.359 61.581 62.100 -0.266 0.000 0.956 45 T CB 0.472 69.299 68.868 -0.068 0.000 0.936 45 T HN 0.565 nan 8.240 nan 0.000 0.463 46 L N 4.492 125.423 121.223 -0.486 0.000 2.292 46 L HA 0.687 5.027 4.340 -0.000 0.000 0.284 46 L C -0.397 176.408 176.870 -0.109 0.000 1.065 46 L CA -0.290 54.344 54.840 -0.343 0.000 0.806 46 L CB 0.639 42.551 42.059 -0.244 0.000 1.175 46 L HN 0.395 nan 8.230 nan 0.000 0.431 47 R N 3.559 124.020 120.500 -0.066 0.000 2.445 47 R HA 0.663 5.003 4.340 -0.000 0.000 0.308 47 R C -1.039 175.242 176.300 -0.032 0.000 0.961 47 R CA -0.580 55.504 56.100 -0.026 0.000 0.862 47 R CB 1.301 31.596 30.300 -0.008 0.000 1.144 47 R HN 0.905 nan 8.270 nan 0.000 0.447 48 N N -0.655 118.011 118.700 -0.056 0.000 3.020 48 N HA 0.062 4.802 4.740 -0.000 0.000 0.248 48 N C -0.226 175.229 175.510 -0.092 0.000 1.480 48 N CA -1.021 51.991 53.050 -0.064 0.000 0.874 48 N CB 0.629 39.077 38.487 -0.064 0.000 1.433 48 N HN 0.379 nan 8.380 nan 0.000 0.530 49 Q N -0.625 119.128 119.800 -0.079 0.000 2.311 49 Q HA 0.174 4.514 4.340 -0.000 0.000 0.203 49 Q C 0.774 176.747 176.000 -0.046 0.000 0.954 49 Q CA 0.985 56.762 55.803 -0.043 0.000 0.885 49 Q CB 0.096 28.821 28.738 -0.021 0.000 0.963 49 Q HN 0.443 nan 8.270 nan 0.000 0.471 50 K N 0.615 120.896 120.400 -0.198 0.000 2.103 50 K HA -0.024 4.296 4.320 -0.000 0.000 0.204 50 K C 1.968 178.414 176.600 -0.258 0.000 1.052 50 K CA 1.593 57.680 56.287 -0.333 0.000 0.945 50 K CB 0.130 32.095 32.500 -0.891 0.000 0.722 50 K HN 0.412 nan 8.250 nan 0.000 0.443 51 V N -2.465 117.254 119.914 -0.325 0.000 3.661 51 V HA 0.197 4.317 4.120 -0.000 0.000 0.271 51 V C 1.505 177.235 176.094 -0.607 0.000 1.315 51 V CA 0.735 62.794 62.300 -0.403 0.000 1.072 51 V CB 0.142 31.766 31.823 -0.332 0.000 0.830 51 V HN 0.282 nan 8.190 nan 0.000 0.443 52 K N 0.745 120.832 120.400 -0.522 0.000 10.660 52 K HA -0.320 4.000 4.320 -0.000 0.000 0.523 52 K C 0.164 176.670 176.600 -0.156 0.000 0.379 52 K CA 2.684 58.714 56.287 -0.427 0.000 1.947 52 K CB -1.476 30.583 32.500 -0.734 0.000 0.758 52 K HN 0.986 nan 8.250 nan 0.000 1.189 53 Y N -2.045 118.110 120.300 -0.242 0.000 2.513 53 Y HA 0.705 5.255 4.550 -0.000 0.000 0.340 53 Y C -1.315 174.546 175.900 -0.064 0.000 1.055 53 Y CA -0.765 57.256 58.100 -0.131 0.000 1.020 53 Y CB 1.998 40.397 38.460 -0.101 0.000 1.301 53 Y HN 0.013 nan 8.280 nan 0.000 0.453 54 V N 2.864 122.822 119.914 0.073 0.000 2.733 54 V HA 0.392 4.512 4.120 -0.000 0.000 0.306 54 V C -1.463 174.681 176.094 0.083 0.000 1.084 54 V CA -0.602 61.743 62.300 0.075 0.000 0.905 54 V CB 1.897 33.793 31.823 0.121 0.000 1.010 54 V HN 0.922 nan 8.190 nan 0.000 0.424 55 D N 5.561 126.025 120.400 0.107 0.000 2.339 55 D HA 0.270 4.910 4.640 -0.000 0.000 0.256 55 D C 0.836 177.220 176.300 0.139 0.000 1.214 55 D CA 0.263 54.319 54.000 0.094 0.000 0.877 55 D CB 1.821 42.650 40.800 0.048 0.000 1.111 55 D HN 0.520 nan 8.370 nan 0.000 0.478 56 L N 1.552 122.910 121.223 0.226 0.000 2.554 56 L HA 0.211 4.551 4.340 -0.000 0.000 0.225 56 L C 1.502 178.766 176.870 0.658 0.000 1.104 56 L CA 0.090 55.165 54.840 0.391 0.000 0.866 56 L CB 0.373 42.684 42.059 0.421 0.000 1.047 56 L HN 0.339 nan 8.230 nan 0.000 0.468 57 G N -0.876 108.240 108.800 0.528 0.000 3.286 57 G HA2 0.425 4.385 3.960 -0.000 0.000 0.166 57 G HA3 0.425 4.385 3.960 -0.000 0.000 0.166 57 G C -0.182 174.764 174.900 0.076 0.000 1.155 57 G CA -0.033 45.208 45.100 0.234 0.000 0.871 57 G HN 0.079 nan 8.290 nan 0.000 0.637 58 G N -0.788 107.978 108.800 -0.056 0.000 2.391 58 G HA2 0.370 4.330 3.960 -0.000 0.000 0.234 58 G HA3 0.370 4.330 3.960 -0.000 0.000 0.234 58 G C 0.525 175.406 174.900 -0.032 0.000 1.284 58 G CA 0.974 46.043 45.100 -0.052 0.000 0.873 58 G HN 0.923 nan 8.290 nan 0.000 0.549 59 S N 1.038 116.666 115.700 -0.120 0.000 3.102 59 S HA 0.173 4.643 4.470 -0.000 0.000 0.265 59 S C -0.028 174.296 174.600 -0.460 0.000 1.072 59 S CA -0.316 57.698 58.200 -0.309 0.000 0.946 59 S CB -0.033 62.840 63.200 -0.544 0.000 0.901 59 S HN 0.489 nan 8.310 nan 0.000 0.437 60 Y N 2.882 123.124 120.300 -0.096 0.000 2.304 60 Y HA 0.556 5.106 4.550 -0.000 0.000 0.328 60 Y C 0.279 176.036 175.900 -0.238 0.000 1.123 60 Y CA -0.392 57.607 58.100 -0.168 0.000 1.218 60 Y CB 1.281 39.695 38.460 -0.077 0.000 1.207 60 Y HN 0.136 nan 8.280 nan 0.000 0.495 61 V N -0.238 119.540 119.914 -0.227 0.000 3.130 61 V HA 1.104 5.224 4.120 -0.000 0.000 0.310 61 V C -0.329 175.581 176.094 -0.306 0.000 1.158 61 V CA -0.552 61.547 62.300 -0.335 0.000 1.029 61 V CB 1.710 33.254 31.823 -0.465 0.000 1.057 61 V HN 0.938 nan 8.190 nan 0.000 0.436 62 G N 0.288 108.869 108.800 -0.365 0.000 2.606 62 G HA2 0.728 4.688 3.960 -0.000 0.000 0.300 62 G HA3 0.728 4.688 3.960 -0.000 0.000 0.300 62 G C -3.454 171.300 174.900 -0.245 0.000 1.360 62 G CA -1.156 43.785 45.100 -0.265 0.000 0.783 62 G HN 0.708 nan 8.290 nan 0.000 0.484 63 P HA 0.145 nan 4.420 nan 0.000 0.267 63 P C 0.775 178.066 177.300 -0.016 0.000 1.200 63 P CA 1.897 64.962 63.100 -0.058 0.000 0.772 63 P CB 0.900 32.594 31.700 -0.010 0.000 0.855 64 T N -1.733 112.839 114.554 0.029 0.000 6.424 64 T HA -0.250 4.100 4.350 -0.000 0.000 0.279 64 T C 0.318 175.046 174.700 0.046 0.000 2.176 64 T CA 0.916 63.103 62.100 0.146 0.000 3.628 64 T CB -2.673 66.403 68.868 0.346 0.000 1.165 64 T HN 0.573 nan 8.240 nan 0.000 1.080 65 Q N 1.428 121.094 119.800 -0.222 0.000 3.207 65 Q HA 0.352 4.692 4.340 -0.000 0.000 0.335 65 Q C 0.971 176.879 176.000 -0.153 0.000 1.374 65 Q CA -0.417 55.154 55.803 -0.387 0.000 1.023 65 Q CB 0.105 28.428 28.738 -0.692 0.000 1.576 65 Q HN 0.530 nan 8.270 nan 0.000 0.515 66 N N 0.715 119.390 118.700 -0.041 0.000 2.331 66 N HA -0.073 4.667 4.740 -0.000 0.000 0.180 66 N C 1.239 176.758 175.510 0.015 0.000 1.019 66 N CA 0.780 53.832 53.050 0.004 0.000 0.881 66 N CB 0.258 38.770 38.487 0.041 0.000 0.972 66 N HN 0.370 nan 8.380 nan 0.000 0.435 67 R N 0.585 121.096 120.500 0.019 0.000 2.062 67 R HA -0.005 4.335 4.340 -0.000 0.000 0.231 67 R C 2.064 178.378 176.300 0.022 0.000 1.136 67 R CA 0.768 56.885 56.100 0.029 0.000 0.948 67 R CB -0.375 29.953 30.300 0.046 0.000 0.845 67 R HN 0.072 nan 8.270 nan 0.000 0.430 68 I N 1.282 121.862 120.570 0.017 0.000 2.286 68 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 68 I C 1.797 177.978 176.117 0.106 0.000 1.115 68 I CA 1.413 62.747 61.300 0.056 0.000 1.392 68 I CB -0.163 37.879 38.000 0.070 0.000 1.065 68 I HN 0.124 nan 8.210 nan 0.000 0.418 69 L N 0.007 121.280 121.223 0.083 0.000 2.056 69 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 69 L C 2.751 179.660 176.870 0.065 0.000 1.078 69 L CA 1.322 56.227 54.840 0.108 0.000 0.749 69 L CB -0.865 41.218 42.059 0.041 0.000 0.901 69 L HN 0.245 nan 8.230 nan 0.000 0.433 70 R N 0.804 121.324 120.500 0.034 0.000 2.073 70 R HA -0.194 4.146 4.340 -0.000 0.000 0.234 70 R C 2.328 178.628 176.300 0.001 0.000 1.134 70 R CA 1.749 57.861 56.100 0.019 0.000 0.952 70 R CB -0.658 29.653 30.300 0.018 0.000 0.850 70 R HN 0.244 nan 8.270 nan 0.000 0.433 71 L N 1.171 122.391 121.223 -0.006 0.000 2.042 71 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 71 L C 2.400 179.224 176.870 -0.077 0.000 1.076 71 L CA 2.309 57.129 54.840 -0.033 0.000 0.749 71 L CB -0.819 41.223 42.059 -0.030 0.000 0.893 71 L HN 0.256 nan 8.230 nan 0.000 0.432 72 A N -0.631 122.124 122.820 -0.108 0.000 1.902 72 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 72 A C 2.463 179.964 177.584 -0.139 0.000 1.181 72 A CA 1.909 53.799 52.037 -0.244 0.000 0.623 72 A CB -0.642 18.075 19.000 -0.472 0.000 0.818 72 A HN 0.511 nan 8.150 nan 0.000 0.443 73 K N -0.255 120.119 120.400 -0.043 0.000 2.063 73 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 73 K C 2.045 178.627 176.600 -0.030 0.000 1.048 73 K CA 1.747 58.024 56.287 -0.016 0.000 0.928 73 K CB -0.181 32.327 32.500 0.014 0.000 0.713 73 K HN 0.618 nan 8.250 nan 0.000 0.442 74 E N 0.414 120.595 120.200 -0.032 0.000 2.153 74 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 74 E C 1.557 178.131 176.600 -0.043 0.000 0.988 74 E CA 0.805 57.188 56.400 -0.029 0.000 0.811 74 E CB 0.040 29.726 29.700 -0.023 0.000 0.746 74 E HN 0.362 nan 8.360 nan 0.000 0.466 75 L N -0.609 120.571 121.223 -0.070 0.000 2.599 75 L HA 0.182 4.521 4.340 -0.000 0.000 0.230 75 L C 1.287 178.108 176.870 -0.082 0.000 1.141 75 L CA 0.401 55.190 54.840 -0.084 0.000 0.877 75 L CB 0.173 42.160 42.059 -0.120 0.000 1.009 75 L HN 0.332 nan 8.230 nan 0.000 0.447 76 G N 0.466 109.226 108.800 -0.067 0.000 2.132 76 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.228 76 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.228 76 G C 0.056 174.921 174.900 -0.060 0.000 1.000 76 G CA -0.302 44.767 45.100 -0.051 0.000 0.693 76 G HN 0.204 nan 8.290 nan 0.000 0.515 77 L N -0.258 120.912 121.223 -0.087 0.000 2.379 77 L HA 0.686 5.026 4.340 -0.000 0.000 0.269 77 L C 0.606 177.493 176.870 0.030 0.000 1.084 77 L CA -0.640 54.149 54.840 -0.084 0.000 0.802 77 L CB 1.177 43.068 42.059 -0.280 0.000 1.175 77 L HN 0.176 nan 8.230 nan 0.000 0.448 78 E N 0.275 120.538 120.200 0.105 0.000 2.277 78 E HA 0.435 4.785 4.350 -0.000 0.000 0.266 78 E C -0.902 175.854 176.600 0.260 0.000 0.901 78 E CA -0.618 55.873 56.400 0.152 0.000 0.782 78 E CB 2.602 32.366 29.700 0.107 0.000 1.228 78 E HN 0.663 nan 8.360 nan 0.000 0.424 79 T N -1.135 113.534 114.554 0.191 0.000 2.952 79 T HA 0.628 4.978 4.350 -0.000 0.000 0.286 79 T C -0.698 174.093 174.700 0.153 0.000 1.024 79 T CA -0.678 61.480 62.100 0.097 0.000 1.029 79 T CB 0.735 69.555 68.868 -0.081 0.000 1.094 79 T HN 0.509 nan 8.240 nan 0.000 0.515 80 Y N -1.369 118.935 120.300 0.007 0.000 2.609 80 Y HA 0.745 5.295 4.550 0.000 0.000 0.342 80 Y C -0.727 175.176 175.900 0.004 0.000 1.058 80 Y CA -1.540 56.572 58.100 0.019 0.000 1.055 80 Y CB 1.408 39.897 38.460 0.049 0.000 1.292 80 Y HN 0.631 nan 8.280 nan 0.000 0.476 81 K N 2.110 122.585 120.400 0.125 0.000 2.234 81 K HA 0.450 4.770 4.320 -0.000 0.000 0.282 81 K C -0.875 175.778 176.600 0.089 0.000 1.039 81 K CA -0.820 55.483 56.287 0.027 0.000 0.928 81 K CB 1.680 34.213 32.500 0.055 0.000 1.039 81 K HN 0.583 nan 8.250 nan 0.000 0.470 82 V N 3.248 123.162 119.914 0.000 0.000 2.599 82 V HA -0.101 4.019 4.120 -0.000 0.000 0.300 82 V C 0.533 176.679 176.094 0.086 0.000 1.034 82 V CA -0.201 62.147 62.300 0.080 0.000 1.115 82 V CB 0.299 32.160 31.823 0.065 0.000 0.934 82 V HN 0.726 nan 8.190 nan 0.000 0.485 83 N N 4.032 122.804 118.700 0.120 0.000 2.429 83 N HA 0.004 4.744 4.740 -0.000 0.000 0.271 83 N C 0.393 175.926 175.510 0.038 0.000 1.272 83 N CA 0.529 53.633 53.050 0.089 0.000 0.921 83 N CB 0.278 38.839 38.487 0.124 0.000 1.128 83 N HN 0.813 nan 8.380 nan 0.000 0.481 84 E N 2.844 123.053 120.200 0.014 0.000 2.846 84 E HA 0.081 4.431 4.350 -0.000 0.000 0.211 84 E C 0.571 177.158 176.600 -0.022 0.000 0.975 84 E CA 0.010 56.396 56.400 -0.023 0.000 1.211 84 E CB 0.401 30.075 29.700 -0.044 0.000 1.052 84 E HN 0.459 nan 8.360 nan 0.000 0.487 85 V N 0.742 120.656 119.914 0.000 0.000 2.295 85 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 85 V C 1.046 177.133 176.094 -0.011 0.000 1.049 85 V CA 1.722 64.019 62.300 -0.004 0.000 1.024 85 V CB -0.241 31.584 31.823 0.004 0.000 0.648 85 V HN 0.222 nan 8.190 nan 0.000 0.447 86 E N -0.688 119.512 120.200 -0.001 0.000 3.188 86 E HA 0.376 4.726 4.350 -0.000 0.000 0.262 86 E C 0.258 176.848 176.600 -0.016 0.000 1.341 86 E CA -0.620 55.781 56.400 0.000 0.000 1.140 86 E CB 0.199 29.913 29.700 0.023 0.000 1.306 86 E HN 0.331 nan 8.360 nan 0.000 0.694 87 R N 0.290 120.799 120.500 0.014 0.000 2.390 87 R HA 0.279 4.619 4.340 -0.000 0.000 0.291 87 R C -0.500 175.738 176.300 -0.103 0.000 1.070 87 R CA -0.588 55.495 56.100 -0.030 0.000 1.014 87 R CB 0.133 30.480 30.300 0.079 0.000 1.007 87 R HN 0.175 nan 8.270 nan 0.000 0.466 88 L N 2.864 123.837 121.223 -0.416 0.000 2.466 88 L HA 0.293 4.633 4.340 -0.000 0.000 0.257 88 L C 0.244 176.849 176.870 -0.441 0.000 1.189 88 L CA 0.398 54.892 54.840 -0.577 0.000 0.813 88 L CB 0.381 41.798 42.059 -1.069 0.000 1.118 88 L HN 0.474 nan 8.230 nan 0.000 0.471 89 I N 0.375 120.858 120.570 -0.147 0.000 2.465 89 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 89 I C -0.523 175.887 176.117 0.488 0.000 1.014 89 I CA -0.459 60.924 61.300 0.138 0.000 1.093 89 I CB 1.462 39.409 38.000 -0.088 0.000 1.267 89 I HN 0.527 nan 8.210 nan 0.000 0.431 90 H N 5.199 124.596 119.070 0.545 0.000 2.541 90 H HA 0.309 4.865 4.556 -0.000 0.000 0.316 90 H C -1.197 174.367 175.328 0.393 0.000 1.043 90 H CA -0.747 55.558 56.048 0.429 0.000 1.232 90 H CB 0.835 30.768 29.762 0.285 0.000 1.406 90 H HN 0.594 nan 8.280 nan 0.000 0.469 91 H N 4.578 123.823 119.070 0.292 0.000 2.556 91 H HA 0.366 4.922 4.556 -0.000 0.000 0.310 91 H C -1.326 174.031 175.328 0.048 0.000 1.057 91 H CA -0.406 55.727 56.048 0.141 0.000 1.264 91 H CB 0.498 30.330 29.762 0.116 0.000 1.404 91 H HN 0.277 nan 8.280 nan 0.000 0.462 92 V N 6.168 125.954 119.914 -0.213 0.000 2.623 92 V HA 0.178 4.298 4.120 -0.000 0.000 0.304 92 V C -0.347 175.690 176.094 -0.095 0.000 1.054 92 V CA -1.267 60.944 62.300 -0.147 0.000 0.882 92 V CB 1.761 33.433 31.823 -0.252 0.000 1.002 92 V HN 0.905 nan 8.190 nan 0.000 0.424 93 K N 3.528 123.904 120.400 -0.040 0.000 3.278 93 K HA -0.238 4.082 4.320 -0.000 0.000 0.270 93 K C 1.050 177.618 176.600 -0.053 0.000 0.955 93 K CA 0.919 57.200 56.287 -0.010 0.000 0.723 93 K CB -1.415 31.095 32.500 0.016 0.000 1.382 93 K HN 1.804 nan 8.250 nan 0.000 0.461 94 G N -0.115 108.626 108.800 -0.099 0.000 2.153 94 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.252 94 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.252 94 G C -0.080 174.683 174.900 -0.228 0.000 0.994 94 G CA 1.010 46.091 45.100 -0.031 0.000 0.698 94 G HN 0.497 nan 8.290 nan 0.000 0.521 95 K N -0.064 119.956 120.400 -0.632 0.000 2.501 95 K HA 0.584 4.904 4.320 -0.000 0.000 0.252 95 K C -0.470 175.740 176.600 -0.650 0.000 0.934 95 K CA -0.543 55.443 56.287 -0.502 0.000 0.797 95 K CB 1.354 33.641 32.500 -0.355 0.000 1.270 95 K HN 0.046 nan 8.250 nan 0.000 0.431 96 S N 2.479 117.993 115.700 -0.310 0.000 2.513 96 S HA 0.346 4.816 4.470 -0.000 0.000 0.276 96 S C -1.318 173.108 174.600 -0.290 0.000 1.254 96 S CA -0.294 57.859 58.200 -0.078 0.000 1.053 96 S CB 0.186 63.430 63.200 0.074 0.000 0.958 96 S HN 0.392 nan 8.310 nan 0.000 0.491 97 Y N 3.053 123.442 120.300 0.149 0.000 2.555 97 Y HA 0.344 4.894 4.550 -0.000 0.000 0.326 97 Y C -2.428 173.681 175.900 0.348 0.000 0.984 97 Y CA -2.469 55.761 58.100 0.217 0.000 1.298 97 Y CB 0.797 39.374 38.460 0.195 0.000 1.094 97 Y HN 0.461 nan 8.280 nan 0.000 0.500 98 P HA 0.217 nan 4.420 nan 0.000 0.275 98 P C -0.927 176.662 177.300 0.482 0.000 1.228 98 P CA -0.082 63.248 63.100 0.382 0.000 0.786 98 P CB 0.505 32.432 31.700 0.379 0.000 0.927 99 F N -0.623 119.451 119.950 0.207 0.000 2.619 99 F HA 0.753 5.280 4.527 -0.000 0.000 0.308 99 F C -0.192 175.677 175.800 0.115 0.000 1.097 99 F CA -1.572 56.531 58.000 0.172 0.000 0.953 99 F CB 1.300 40.403 39.000 0.172 0.000 1.287 99 F HN -0.001 nan 8.300 nan 0.000 0.446 100 R N 1.106 121.704 120.500 0.164 0.000 2.517 100 R HA 0.777 5.117 4.340 -0.000 0.000 0.250 100 R C 0.389 176.749 176.300 0.101 0.000 1.213 100 R CA 0.733 56.859 56.100 0.043 0.000 1.146 100 R CB 0.689 31.035 30.300 0.076 0.000 1.279 100 R HN 1.444 nan 8.270 nan 0.000 0.597 101 G N 0.139 108.948 108.800 0.014 0.000 2.855 101 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.352 101 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.352 101 G C -1.982 172.867 174.900 -0.084 0.000 1.415 101 G CA -0.411 44.681 45.100 -0.014 0.000 0.871 101 G HN 0.524 nan 8.290 nan 0.000 0.543 102 P HA 0.180 nan 4.420 nan 0.000 0.217 102 P C 0.501 177.540 177.300 -0.436 0.000 1.154 102 P CA 1.103 63.802 63.100 -0.668 0.000 0.841 102 P CB 0.087 30.872 31.700 -1.525 0.000 0.788 103 F N -0.800 119.248 119.950 0.162 0.000 2.492 103 F HA 0.490 5.017 4.527 -0.000 0.000 0.327 103 F C -2.323 173.273 175.800 -0.339 0.000 1.079 103 F CA -3.552 54.424 58.000 -0.039 0.000 0.967 103 F CB -0.317 38.560 39.000 -0.205 0.000 1.169 103 F HN -0.315 nan 8.300 nan 0.000 0.472 104 P HA 0.173 nan 4.420 nan 0.000 0.271 104 P C -2.466 174.518 177.300 -0.526 0.000 1.226 104 P CA -0.947 61.427 63.100 -1.211 0.000 0.765 104 P CB -0.088 31.079 31.700 -0.888 0.000 0.835 105 P HA 0.158 nan 4.420 nan 0.000 0.274 105 P C -0.974 176.086 177.300 -0.399 0.000 1.231 105 P CA -0.075 62.813 63.100 -0.353 0.000 0.790 105 P CB 0.726 32.242 31.700 -0.307 0.000 0.951 106 V N 1.951 121.583 119.914 -0.471 0.000 2.531 106 V HA 0.234 4.354 4.120 -0.000 0.000 0.301 106 V C 0.150 176.033 176.094 -0.352 0.000 1.034 106 V CA -0.213 61.864 62.300 -0.372 0.000 0.865 106 V CB 1.675 33.235 31.823 -0.438 0.000 0.995 106 V HN 0.692 nan 8.190 nan 0.000 0.424 107 W N 0.952 122.235 121.300 -0.028 0.000 2.699 107 W HA 0.202 4.862 4.660 -0.000 0.000 0.267 107 W C 1.392 177.910 176.519 -0.001 0.000 1.182 107 W CA -0.101 57.238 57.345 -0.010 0.000 1.453 107 W CB 0.266 29.709 29.460 -0.028 0.000 1.054 107 W HN 0.520 nan 8.180 nan 0.000 0.595 108 N N 2.882 121.700 118.700 0.196 0.000 2.412 108 N HA -0.060 4.680 4.740 -0.000 0.000 0.258 108 N C -1.372 174.208 175.510 0.117 0.000 1.236 108 N CA -0.236 52.891 53.050 0.127 0.000 0.882 108 N CB 1.395 39.936 38.487 0.089 0.000 1.066 108 N HN -0.087 nan 8.380 nan 0.000 0.465 109 P HA -0.079 nan 4.420 nan 0.000 0.218 109 P C 1.684 179.047 177.300 0.104 0.000 1.152 109 P CA 0.642 63.790 63.100 0.081 0.000 0.826 109 P CB 0.456 32.181 31.700 0.041 0.000 0.790 110 I N 0.482 121.100 120.570 0.079 0.000 2.142 110 I HA -0.159 4.011 4.170 -0.000 0.000 0.240 110 I C 2.206 178.382 176.117 0.099 0.000 1.078 110 I CA 1.811 63.152 61.300 0.068 0.000 1.343 110 I CB -2.042 35.990 38.000 0.053 0.000 1.046 110 I HN 0.022 nan 8.210 nan 0.000 0.405 111 T N 0.453 115.073 114.554 0.111 0.000 2.720 111 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 111 T C 1.874 176.654 174.700 0.133 0.000 1.037 111 T CA 1.565 63.746 62.100 0.136 0.000 1.144 111 T CB -0.724 68.197 68.868 0.088 0.000 0.864 111 T HN 0.296 nan 8.240 nan 0.000 0.444 112 Y N 1.904 122.191 120.300 -0.020 0.000 2.114 112 Y HA -0.152 4.398 4.550 -0.000 0.000 0.282 112 Y C 2.064 177.976 175.900 0.020 0.000 1.165 112 Y CA 1.226 59.296 58.100 -0.050 0.000 1.148 112 Y CB -0.540 37.872 38.460 -0.081 0.000 0.972 112 Y HN 0.124 nan 8.280 nan 0.000 0.504 113 L N -0.356 120.982 121.223 0.192 0.000 2.046 113 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 113 L C 2.195 179.069 176.870 0.007 0.000 1.077 113 L CA 1.706 56.606 54.840 0.100 0.000 0.747 113 L CB -0.665 41.440 42.059 0.076 0.000 0.896 113 L HN 0.210 nan 8.230 nan 0.000 0.432 114 D N -0.749 119.673 120.400 0.038 0.000 2.097 114 D HA -0.205 4.435 4.640 -0.000 0.000 0.195 114 D C 2.189 178.471 176.300 -0.030 0.000 0.989 114 D CA 1.315 55.332 54.000 0.029 0.000 0.827 114 D CB 0.040 40.888 40.800 0.079 0.000 0.966 114 D HN 0.318 nan 8.370 nan 0.000 0.456 115 H N -0.427 118.553 119.070 -0.150 0.000 2.321 115 H HA -0.094 4.462 4.556 -0.000 0.000 0.300 115 H C 2.132 177.365 175.328 -0.158 0.000 1.087 115 H CA 1.108 57.052 56.048 -0.174 0.000 1.319 115 H CB -0.099 29.592 29.762 -0.119 0.000 1.379 115 H HN 0.268 nan 8.280 nan 0.000 0.501 116 N N 1.204 119.839 118.700 -0.109 0.000 2.120 116 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 116 N C 1.768 177.228 175.510 -0.084 0.000 1.024 116 N CA 0.778 53.752 53.050 -0.127 0.000 0.852 116 N CB -0.205 38.127 38.487 -0.258 0.000 1.003 116 N HN 0.390 nan 8.380 nan 0.000 0.424 117 N N -0.143 118.502 118.700 -0.092 0.000 2.244 117 N HA -0.170 4.570 4.740 -0.000 0.000 0.183 117 N C 1.801 177.218 175.510 -0.156 0.000 1.016 117 N CA 0.565 53.555 53.050 -0.100 0.000 0.866 117 N CB -0.233 38.215 38.487 -0.065 0.000 0.980 117 N HN 0.231 nan 8.380 nan 0.000 0.430 118 F N 0.636 120.361 119.950 -0.375 0.000 2.075 118 F HA -0.098 4.429 4.527 -0.000 0.000 0.297 118 F C 1.688 177.149 175.800 -0.565 0.000 1.113 118 F CA 1.601 59.263 58.000 -0.563 0.000 1.218 118 F CB -0.781 37.692 39.000 -0.878 0.000 0.984 118 F HN 0.054 nan 8.300 nan 0.000 0.472 119 W N 0.556 121.668 121.300 -0.314 0.000 2.363 119 W HA -0.083 4.577 4.660 -0.000 0.000 0.296 119 W C 2.748 179.020 176.519 -0.412 0.000 1.212 119 W CA 1.216 58.292 57.345 -0.447 0.000 1.260 119 W CB -0.608 28.632 29.460 -0.366 0.000 1.131 119 W HN -0.056 nan 8.180 nan 0.000 0.530 120 R N 0.269 120.685 120.500 -0.141 0.000 2.075 120 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 120 R C 1.887 178.059 176.300 -0.214 0.000 1.126 120 R CA 2.072 58.075 56.100 -0.162 0.000 0.963 120 R CB -0.662 29.551 30.300 -0.144 0.000 0.858 120 R HN 0.018 nan 8.270 nan 0.000 0.435 121 T N 1.447 115.836 114.554 -0.276 0.000 2.821 121 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 121 T C 1.868 176.362 174.700 -0.342 0.000 1.046 121 T CA 1.318 63.251 62.100 -0.278 0.000 1.139 121 T CB -0.043 68.667 68.868 -0.264 0.000 0.871 121 T HN 0.171 nan 8.240 nan 0.000 0.454 122 M N 1.584 120.898 119.600 -0.478 0.000 2.065 122 M HA -0.120 4.360 4.480 -0.000 0.000 0.259 122 M C 1.920 178.059 176.300 -0.267 0.000 1.069 122 M CA 1.611 56.658 55.300 -0.422 0.000 1.110 122 M CB -1.036 31.267 32.600 -0.494 0.000 1.328 122 M HN 0.178 nan 8.290 nan 0.000 0.405 123 D N 0.486 120.754 120.400 -0.221 0.000 2.144 123 D HA -0.128 4.512 4.640 -0.000 0.000 0.200 123 D C 1.618 177.831 176.300 -0.145 0.000 0.978 123 D CA 1.059 54.957 54.000 -0.171 0.000 0.833 123 D CB -0.355 40.354 40.800 -0.152 0.000 0.961 123 D HN 0.300 nan 8.370 nan 0.000 0.470 124 D N 0.212 120.526 120.400 -0.145 0.000 2.117 124 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 124 D C 2.200 178.466 176.300 -0.056 0.000 0.987 124 D CA 0.736 54.678 54.000 -0.097 0.000 0.829 124 D CB -0.220 40.524 40.800 -0.095 0.000 0.961 124 D HN 0.249 nan 8.370 nan 0.000 0.460 125 M N 0.277 119.806 119.600 -0.119 0.000 2.117 125 M HA -0.052 4.428 4.480 -0.000 0.000 0.262 125 M C 2.367 178.677 176.300 0.016 0.000 1.065 125 M CA 1.701 56.938 55.300 -0.106 0.000 1.114 125 M CB -0.499 31.763 32.600 -0.563 0.000 1.361 125 M HN 0.029 nan 8.290 nan 0.000 0.408 126 G N 0.141 108.892 108.800 -0.082 0.000 2.469 126 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 126 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 126 G C 1.600 176.482 174.900 -0.030 0.000 1.150 126 G CA 0.849 45.912 45.100 -0.061 0.000 0.763 126 G HN 0.393 nan 8.290 nan 0.000 0.561 127 R N 0.076 120.553 120.500 -0.040 0.000 2.200 127 R HA -0.039 4.301 4.340 -0.000 0.000 0.234 127 R C 1.626 177.921 176.300 -0.008 0.000 1.127 127 R CA 1.015 57.091 56.100 -0.041 0.000 0.989 127 R CB 0.041 30.313 30.300 -0.047 0.000 0.869 127 R HN 0.272 nan 8.270 nan 0.000 0.459 128 E N 0.043 120.276 120.200 0.055 0.000 2.465 128 E HA 0.107 4.457 4.350 -0.000 0.000 0.191 128 E C -0.116 176.509 176.600 0.042 0.000 1.053 128 E CA 0.275 56.705 56.400 0.050 0.000 0.869 128 E CB 0.435 30.190 29.700 0.091 0.000 0.977 128 E HN 0.326 nan 8.360 nan 0.000 0.483 129 I N 2.663 123.267 120.570 0.057 0.000 2.355 129 I HA 0.220 4.390 4.170 -0.000 0.000 0.288 129 I C -2.441 173.672 176.117 -0.007 0.000 0.999 129 I CA -2.394 58.939 61.300 0.055 0.000 1.163 129 I CB 1.730 39.825 38.000 0.159 0.000 1.316 129 I HN -0.330 nan 8.210 nan 0.000 0.454 130 P HA 0.185 nan 4.420 nan 0.000 0.276 130 P C 0.532 177.796 177.300 -0.060 0.000 1.243 130 P CA -0.026 63.002 63.100 -0.120 0.000 0.768 130 P CB 1.104 32.681 31.700 -0.205 0.000 0.856 131 S N 2.527 118.213 115.700 -0.023 0.000 2.372 131 S HA -0.215 4.255 4.470 -0.000 0.000 0.227 131 S C 1.299 175.993 174.600 0.157 0.000 1.044 131 S CA 2.110 60.377 58.200 0.112 0.000 1.050 131 S CB -0.711 62.457 63.200 -0.055 0.000 0.901 131 S HN 0.689 nan 8.310 nan 0.000 0.447 132 D N 0.428 120.769 120.400 -0.098 0.000 2.340 132 D HA 0.274 4.914 4.640 -0.000 0.000 0.220 132 D C 0.298 176.362 176.300 -0.394 0.000 1.039 132 D CA 0.543 54.437 54.000 -0.177 0.000 0.866 132 D CB 0.039 40.673 40.800 -0.278 0.000 0.913 132 D HN 0.323 nan 8.370 nan 0.000 0.523 133 A N 0.949 123.364 122.820 -0.674 0.000 3.330 133 A HA 0.339 4.659 4.320 -0.000 0.000 0.256 133 A C -2.187 174.573 177.584 -1.372 0.000 1.185 133 A CA -0.748 50.408 52.037 -1.468 0.000 0.940 133 A CB 0.753 19.214 19.000 -0.898 0.000 1.397 133 A HN -0.102 nan 8.150 nan 0.000 0.678 134 P HA -0.168 nan 4.420 nan 0.000 0.219 134 P C 1.216 178.302 177.300 -0.356 0.000 1.146 134 P CA 1.409 64.171 63.100 -0.562 0.000 0.808 134 P CB -0.348 30.996 31.700 -0.593 0.000 0.779 135 W N 0.650 121.870 121.300 -0.133 0.000 2.721 135 W HA 0.113 4.773 4.660 -0.000 0.000 0.245 135 W C 1.287 177.758 176.519 -0.081 0.000 1.276 135 W CA 0.386 57.676 57.345 -0.091 0.000 1.342 135 W CB -1.386 28.017 29.460 -0.094 0.000 1.135 135 W HN -0.100 nan 8.180 nan 0.000 0.654 136 K N 0.726 120.945 120.400 -0.302 0.000 2.374 136 K HA 0.333 4.653 4.320 -0.000 0.000 0.196 136 K C 0.922 177.428 176.600 -0.156 0.000 1.023 136 K CA 0.083 56.264 56.287 -0.177 0.000 1.103 136 K CB 0.089 32.446 32.500 -0.238 0.000 0.848 136 K HN 0.082 nan 8.250 nan 0.000 0.528 137 A N 2.347 125.072 122.820 -0.158 0.000 2.540 137 A HA 0.084 4.404 4.320 -0.000 0.000 0.239 137 A C -1.633 175.823 177.584 -0.214 0.000 1.061 137 A CA -0.985 50.957 52.037 -0.158 0.000 0.758 137 A CB 0.084 19.017 19.000 -0.113 0.000 0.991 137 A HN -0.005 nan 8.150 nan 0.000 0.502 138 P HA -0.141 nan 4.420 nan 0.000 0.216 138 P C 0.522 177.627 177.300 -0.326 0.000 1.153 138 P CA 1.256 64.215 63.100 -0.235 0.000 0.858 138 P CB 0.020 31.596 31.700 -0.206 0.000 0.789 139 L N -1.998 118.871 121.223 -0.589 0.000 2.912 139 L HA 0.357 4.697 4.340 -0.000 0.000 0.240 139 L C 1.830 178.301 176.870 -0.665 0.000 1.262 139 L CA -0.278 54.117 54.840 -0.742 0.000 1.058 139 L CB -0.599 40.732 42.059 -1.213 0.000 1.383 139 L HN -0.091 nan 8.230 nan 0.000 0.512 140 A N 0.698 123.313 122.820 -0.342 0.000 1.883 140 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 140 A C 2.180 179.757 177.584 -0.012 0.000 1.186 140 A CA 1.714 53.682 52.037 -0.114 0.000 0.624 140 A CB -0.152 18.834 19.000 -0.024 0.000 0.822 140 A HN 0.535 nan 8.150 nan 0.000 0.444 141 E N -0.817 119.362 120.200 -0.035 0.000 2.072 141 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 141 E C 2.102 178.729 176.600 0.044 0.000 0.985 141 E CA 1.086 57.498 56.400 0.020 0.000 0.801 141 E CB -0.219 29.482 29.700 0.000 0.000 0.750 141 E HN 0.820 nan 8.360 nan 0.000 0.452 142 E N 0.330 120.521 120.200 -0.015 0.000 2.049 142 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 142 E C 1.721 178.464 176.600 0.238 0.000 1.007 142 E CA 1.363 57.795 56.400 0.053 0.000 0.809 142 E CB -0.020 29.658 29.700 -0.036 0.000 0.749 142 E HN 0.299 nan 8.360 nan 0.000 0.450 143 W N 0.915 122.253 121.300 0.063 0.000 2.467 143 W HA -0.044 4.616 4.660 -0.000 0.000 0.275 143 W C 1.934 178.521 176.519 0.114 0.000 1.239 143 W CA 0.726 58.121 57.345 0.083 0.000 1.266 143 W CB -0.974 28.535 29.460 0.082 0.000 1.112 143 W HN 0.246 nan 8.180 nan 0.000 0.576 144 D N -0.321 120.273 120.400 0.324 0.000 2.277 144 D HA -0.118 4.522 4.640 -0.000 0.000 0.208 144 D C 1.287 177.712 176.300 0.209 0.000 0.962 144 D CA 0.934 55.091 54.000 0.262 0.000 0.865 144 D CB -0.189 40.740 40.800 0.216 0.000 0.939 144 D HN -0.106 nan 8.370 nan 0.000 0.510 145 N N -0.424 118.382 118.700 0.177 0.000 2.322 145 N HA 0.099 4.839 4.740 -0.000 0.000 0.194 145 N C -0.171 175.418 175.510 0.131 0.000 1.126 145 N CA 0.102 53.233 53.050 0.134 0.000 0.845 145 N CB 0.281 38.829 38.487 0.102 0.000 0.976 145 N HN 0.301 nan 8.380 nan 0.000 0.475 146 M N 0.391 120.087 119.600 0.160 0.000 2.456 146 M HA 0.204 4.684 4.480 -0.000 0.000 0.324 146 M C -0.021 176.362 176.300 0.138 0.000 1.124 146 M CA -0.575 54.806 55.300 0.135 0.000 0.959 146 M CB 1.743 34.433 32.600 0.149 0.000 1.692 146 M HN 0.015 nan 8.290 nan 0.000 0.444 147 T N 0.630 115.247 114.554 0.105 0.000 2.816 147 T HA 0.224 4.574 4.350 -0.000 0.000 0.282 147 T C 1.146 175.887 174.700 0.068 0.000 0.993 147 T CA -0.840 61.320 62.100 0.099 0.000 0.994 147 T CB 0.827 69.745 68.868 0.083 0.000 1.025 147 T HN 0.677 nan 8.240 nan 0.000 0.529 148 M N 0.312 119.937 119.600 0.042 0.000 2.279 148 M HA -0.006 4.474 4.480 -0.000 0.000 0.264 148 M C 2.173 178.450 176.300 -0.039 0.000 1.062 148 M CA 1.563 56.851 55.300 -0.020 0.000 1.099 148 M CB -1.335 31.180 32.600 -0.142 0.000 1.394 148 M HN 0.901 nan 8.290 nan 0.000 0.426 149 K N 0.670 121.055 120.400 -0.025 0.000 2.026 149 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 149 K C 1.691 178.276 176.600 -0.024 0.000 1.048 149 K CA 1.615 57.889 56.287 -0.022 0.000 0.929 149 K CB 0.022 32.538 32.500 0.027 0.000 0.713 149 K HN 0.357 nan 8.250 nan 0.000 0.439 150 E N 0.488 120.687 120.200 -0.003 0.000 2.058 150 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 150 E C 2.041 178.631 176.600 -0.017 0.000 0.997 150 E CA 1.267 57.663 56.400 -0.007 0.000 0.801 150 E CB -0.187 29.525 29.700 0.020 0.000 0.746 150 E HN 0.210 nan 8.360 nan 0.000 0.450 151 L N 1.234 122.452 121.223 -0.009 0.000 2.012 151 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 151 L C 2.116 178.974 176.870 -0.019 0.000 1.073 151 L CA 1.637 56.464 54.840 -0.022 0.000 0.748 151 L CB -0.431 41.605 42.059 -0.038 0.000 0.891 151 L HN 0.142 nan 8.230 nan 0.000 0.431 152 L N -0.868 120.341 121.223 -0.024 0.000 2.046 152 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 152 L C 2.250 179.055 176.870 -0.109 0.000 1.077 152 L CA 1.430 56.230 54.840 -0.067 0.000 0.747 152 L CB -1.028 40.952 42.059 -0.131 0.000 0.896 152 L HN 0.301 nan 8.230 nan 0.000 0.432 153 D N 0.149 120.488 120.400 -0.102 0.000 2.144 153 D HA -0.180 4.460 4.640 -0.000 0.000 0.199 153 D C 2.176 178.379 176.300 -0.162 0.000 0.984 153 D CA 1.204 55.125 54.000 -0.131 0.000 0.834 153 D CB 0.027 40.764 40.800 -0.106 0.000 0.955 153 D HN 0.237 nan 8.370 nan 0.000 0.465 154 K N -0.142 120.192 120.400 -0.111 0.000 2.062 154 K HA 0.059 4.379 4.320 -0.000 0.000 0.205 154 K C 2.147 178.699 176.600 -0.080 0.000 1.051 154 K CA 0.474 56.700 56.287 -0.101 0.000 0.941 154 K CB 0.139 32.616 32.500 -0.038 0.000 0.719 154 K HN 0.077 nan 8.250 nan 0.000 0.440 155 L N 0.050 121.257 121.223 -0.027 0.000 2.202 155 L HA 0.017 4.357 4.340 -0.000 0.000 0.205 155 L C 0.660 177.590 176.870 0.099 0.000 1.083 155 L CA -0.036 54.842 54.840 0.063 0.000 0.790 155 L CB 0.220 42.331 42.059 0.087 0.000 0.942 155 L HN 0.120 nan 8.230 nan 0.000 0.452 156 C N 0.044 119.322 119.300 -0.036 0.000 2.349 156 C HA 0.080 4.540 4.460 -0.000 0.000 0.348 156 C C 0.983 175.946 174.990 -0.046 0.000 1.223 156 C CA -0.908 58.071 59.018 -0.066 0.000 1.746 156 C CB -0.985 26.616 27.740 -0.232 0.000 2.360 156 C HN 0.474 nan 8.230 nan 0.000 0.533 157 W N 1.970 123.220 121.300 -0.084 0.000 2.905 157 W HA 0.094 4.754 4.660 -0.000 0.000 0.251 157 W C 1.490 177.980 176.519 -0.048 0.000 1.305 157 W CA 0.253 57.566 57.345 -0.053 0.000 1.465 157 W CB -0.080 29.361 29.460 -0.032 0.000 1.122 157 W HN 0.662 nan 8.180 nan 0.000 0.659 158 T N -3.535 111.085 114.554 0.110 0.000 2.887 158 T HA 0.283 4.633 4.350 -0.000 0.000 0.288 158 T C 0.803 175.492 174.700 -0.017 0.000 1.021 158 T CA -0.665 61.471 62.100 0.060 0.000 1.000 158 T CB 2.514 71.438 68.868 0.092 0.000 1.034 158 T HN -0.199 nan 8.240 nan 0.000 0.467 159 E N 1.093 121.289 120.200 -0.006 0.000 2.204 159 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 159 E C 2.082 178.672 176.600 -0.018 0.000 0.989 159 E CA 1.118 57.502 56.400 -0.026 0.000 0.824 159 E CB -0.269 29.427 29.700 -0.008 0.000 0.756 159 E HN 0.737 nan 8.360 nan 0.000 0.477 160 S N 0.604 116.325 115.700 0.035 0.000 2.356 160 S HA -0.141 4.329 4.470 -0.000 0.000 0.223 160 S C 2.101 176.719 174.600 0.029 0.000 1.032 160 S CA 1.426 59.695 58.200 0.116 0.000 1.005 160 S CB -0.051 63.280 63.200 0.219 0.000 0.867 160 S HN 0.285 nan 8.310 nan 0.000 0.449 161 A N 1.130 123.832 122.820 -0.196 0.000 1.930 161 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 161 A C 2.197 179.410 177.584 -0.618 0.000 1.175 161 A CA 1.660 53.226 52.037 -0.785 0.000 0.627 161 A CB -0.628 17.947 19.000 -0.707 0.000 0.815 161 A HN 0.618 nan 8.150 nan 0.000 0.443 162 K N -0.596 119.576 120.400 -0.380 0.000 2.097 162 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 162 K C 2.237 178.695 176.600 -0.237 0.000 1.050 162 K CA 1.441 57.523 56.287 -0.342 0.000 0.938 162 K CB -0.156 32.212 32.500 -0.220 0.000 0.718 162 K HN 0.625 nan 8.250 nan 0.000 0.442 163 Q N 0.311 120.034 119.800 -0.128 0.000 2.084 163 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 163 Q C 2.078 178.081 176.000 0.004 0.000 0.978 163 Q CA 1.240 57.025 55.803 -0.030 0.000 0.844 163 Q CB -0.037 28.723 28.738 0.036 0.000 0.898 163 Q HN 0.193 nan 8.270 nan 0.000 0.426 164 L N 0.223 121.439 121.223 -0.012 0.000 2.109 164 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 164 L C 2.059 178.956 176.870 0.046 0.000 1.086 164 L CA 1.729 56.618 54.840 0.082 0.000 0.760 164 L CB -0.594 41.561 42.059 0.159 0.000 0.910 164 L HN 0.103 nan 8.230 nan 0.000 0.437 165 A N -1.649 120.998 122.820 -0.288 0.000 1.930 165 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 165 A C 2.237 179.785 177.584 -0.059 0.000 1.175 165 A CA 2.085 53.876 52.037 -0.410 0.000 0.627 165 A CB -1.056 17.151 19.000 -1.321 0.000 0.815 165 A HN 0.476 nan 8.150 nan 0.000 0.443 166 T N 0.128 114.622 114.554 -0.101 0.000 2.737 166 T HA -0.108 4.242 4.350 -0.000 0.000 0.265 166 T C 1.864 176.585 174.700 0.036 0.000 1.038 166 T CA 1.355 63.425 62.100 -0.049 0.000 1.144 166 T CB -0.379 68.460 68.868 -0.049 0.000 0.866 166 T HN 0.389 nan 8.240 nan 0.000 0.434 167 L N 0.195 121.480 121.223 0.103 0.000 2.042 167 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 167 L C 2.225 179.206 176.870 0.186 0.000 1.076 167 L CA 1.469 56.400 54.840 0.152 0.000 0.749 167 L CB -0.364 41.816 42.059 0.201 0.000 0.893 167 L HN 0.227 nan 8.230 nan 0.000 0.432 168 F N -0.358 119.668 119.950 0.128 0.000 2.095 168 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 168 F C 2.091 178.008 175.800 0.195 0.000 1.104 168 F CA 2.084 60.210 58.000 0.211 0.000 1.232 168 F CB -0.533 38.734 39.000 0.445 0.000 0.987 168 F HN -0.144 nan 8.300 nan 0.000 0.475 169 V N 1.108 121.019 119.914 -0.005 0.000 2.295 169 V HA -0.359 3.761 4.120 -0.000 0.000 0.246 169 V C 2.025 178.015 176.094 -0.173 0.000 1.049 169 V CA 2.454 64.573 62.300 -0.302 0.000 1.024 169 V CB -1.110 30.411 31.823 -0.503 0.000 0.648 169 V HN 0.419 nan 8.190 nan 0.000 0.447 170 N N 0.155 118.794 118.700 -0.102 0.000 2.061 170 N HA -0.233 4.507 4.740 -0.000 0.000 0.193 170 N C 1.779 177.242 175.510 -0.078 0.000 1.030 170 N CA 1.493 54.496 53.050 -0.079 0.000 0.856 170 N CB -0.250 38.233 38.487 -0.006 0.000 1.023 170 N HN 0.357 nan 8.380 nan 0.000 0.424 171 L N 0.700 121.894 121.223 -0.048 0.000 2.109 171 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 171 L C 2.029 178.899 176.870 -0.001 0.000 1.086 171 L CA 1.426 56.239 54.840 -0.044 0.000 0.760 171 L CB -0.442 41.563 42.059 -0.090 0.000 0.910 171 L HN 0.230 nan 8.230 nan 0.000 0.437 172 C N -1.348 117.920 119.300 -0.054 0.000 2.476 172 C HA -0.009 4.451 4.460 -0.000 0.000 0.278 172 C C 2.263 177.371 174.990 0.196 0.000 1.274 172 C CA 0.900 59.954 59.018 0.060 0.000 1.713 172 C CB -0.514 27.171 27.740 -0.093 0.000 2.039 172 C HN 0.559 nan 8.230 nan 0.000 0.484 173 V N -1.556 118.388 119.914 0.050 0.000 3.253 173 V HA 0.293 4.412 4.120 -0.000 0.000 0.320 173 V C 0.803 176.772 176.094 -0.208 0.000 1.442 173 V CA 0.807 63.097 62.300 -0.016 0.000 1.097 173 V CB -1.392 30.547 31.823 0.193 0.000 1.008 173 V HN 0.568 nan 8.190 nan 0.000 0.463 174 T N -1.472 112.870 114.554 -0.354 0.000 3.760 174 T HA -0.105 4.245 4.350 -0.000 0.000 0.366 174 T C 0.135 174.662 174.700 -0.289 0.000 0.761 174 T CA 1.295 63.158 62.100 -0.395 0.000 1.887 174 T CB -2.560 65.921 68.868 -0.646 0.000 1.811 174 T HN 2.410 nan 8.240 nan 0.000 0.749 175 A N -0.259 122.383 122.820 -0.297 0.000 2.587 175 A HA 0.724 5.044 4.320 -0.000 0.000 0.293 175 A C -0.427 176.943 177.584 -0.357 0.000 1.087 175 A CA -1.056 50.726 52.037 -0.426 0.000 0.692 175 A CB 1.253 19.758 19.000 -0.825 0.000 1.291 175 A HN 0.346 nan 8.150 nan 0.000 0.407 176 E N 0.676 120.624 120.200 -0.421 0.000 2.373 176 E HA 0.231 4.581 4.350 -0.000 0.000 0.263 176 E C 1.280 177.591 176.600 -0.481 0.000 1.073 176 E CA 0.538 56.672 56.400 -0.443 0.000 0.894 176 E CB 0.956 30.247 29.700 -0.682 0.000 1.008 176 E HN 0.811 nan 8.360 nan 0.000 0.420 177 T N -1.039 113.321 114.554 -0.323 0.000 2.803 177 T HA -0.224 4.126 4.350 -0.000 0.000 0.269 177 T C 1.408 176.006 174.700 -0.170 0.000 1.052 177 T CA 1.757 63.718 62.100 -0.231 0.000 1.136 177 T CB -0.381 68.400 68.868 -0.144 0.000 0.864 177 T HN 0.632 nan 8.240 nan 0.000 0.467 178 H N 0.386 119.403 119.070 -0.089 0.000 2.551 178 H HA 0.286 4.842 4.556 -0.000 0.000 0.266 178 H C 1.420 176.726 175.328 -0.037 0.000 0.977 178 H CA 0.687 56.702 56.048 -0.055 0.000 1.163 178 H CB -0.152 29.575 29.762 -0.058 0.000 1.381 178 H HN 0.503 nan 8.280 nan 0.000 0.581 179 E N 1.298 121.293 120.200 -0.342 0.000 2.340 179 E HA 0.061 4.411 4.350 -0.000 0.000 0.194 179 E C 0.677 177.252 176.600 -0.043 0.000 0.996 179 E CA 0.316 56.603 56.400 -0.189 0.000 0.869 179 E CB 0.935 30.387 29.700 -0.413 0.000 0.835 179 E HN 0.358 nan 8.360 nan 0.000 0.493 180 V N -1.314 118.573 119.914 -0.046 0.000 2.715 180 V HA 0.434 4.554 4.120 -0.000 0.000 0.310 180 V C -0.036 176.198 176.094 0.234 0.000 1.054 180 V CA -1.185 61.193 62.300 0.129 0.000 0.928 180 V CB 1.878 33.817 31.823 0.195 0.000 1.007 180 V HN -0.061 nan 8.190 nan 0.000 0.437 181 S N 3.080 118.994 115.700 0.357 0.000 2.533 181 S HA 0.434 4.904 4.470 -0.000 0.000 0.282 181 S C 1.493 176.347 174.600 0.424 0.000 1.304 181 S CA 0.171 58.596 58.200 0.375 0.000 1.063 181 S CB 0.809 64.268 63.200 0.433 0.000 0.881 181 S HN 1.760 nan 8.310 nan 0.000 0.493 182 A N 5.267 128.263 122.820 0.295 0.000 1.883 182 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 182 A C 2.029 179.792 177.584 0.297 0.000 1.186 182 A CA 1.840 54.022 52.037 0.240 0.000 0.624 182 A CB -0.962 18.108 19.000 0.117 0.000 0.822 182 A HN 0.962 nan 8.150 nan 0.000 0.444 183 L N -1.504 119.942 121.223 0.371 0.000 2.012 183 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 183 L C 2.231 179.343 176.870 0.403 0.000 1.073 183 L CA 2.600 57.688 54.840 0.414 0.000 0.748 183 L CB -0.837 41.469 42.059 0.411 0.000 0.891 183 L HN 0.664 nan 8.230 nan 0.000 0.431 184 W N -0.580 120.893 121.300 0.287 0.000 2.358 184 W HA -0.278 4.382 4.660 -0.000 0.000 0.303 184 W C 2.336 179.131 176.519 0.460 0.000 1.208 184 W CA 1.894 59.432 57.345 0.321 0.000 1.274 184 W CB -0.658 28.970 29.460 0.280 0.000 1.138 184 W HN 0.288 nan 8.180 nan 0.000 0.515 185 F N 0.733 120.757 119.950 0.123 0.000 2.186 185 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 185 F C 2.049 177.769 175.800 -0.133 0.000 1.090 185 F CA 2.002 59.876 58.000 -0.210 0.000 1.307 185 F CB -0.599 38.438 39.000 0.062 0.000 1.019 185 F HN -0.167 nan 8.300 nan 0.000 0.489 186 L N -1.252 119.985 121.223 0.024 0.000 2.083 186 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 186 L C 2.271 179.063 176.870 -0.129 0.000 1.083 186 L CA 1.567 56.357 54.840 -0.083 0.000 0.752 186 L CB -0.921 41.105 42.059 -0.054 0.000 0.899 186 L HN 0.456 nan 8.230 nan 0.000 0.433 187 W N -0.227 120.940 121.300 -0.222 0.000 2.388 187 W HA -0.278 4.382 4.660 -0.000 0.000 0.294 187 W C 2.547 178.845 176.519 -0.368 0.000 1.212 187 W CA 1.230 58.427 57.345 -0.246 0.000 1.271 187 W CB -0.464 28.886 29.460 -0.183 0.000 1.126 187 W HN 0.105 nan 8.180 nan 0.000 0.535 188 Y N 0.654 120.462 120.300 -0.820 0.000 2.181 188 Y HA -0.261 4.289 4.550 -0.000 0.000 0.288 188 Y C 2.335 177.664 175.900 -0.950 0.000 1.146 188 Y CA 2.889 60.304 58.100 -1.141 0.000 1.164 188 Y CB -0.762 36.982 38.460 -1.194 0.000 0.982 188 Y HN -0.139 nan 8.280 nan 0.000 0.515 189 V N 0.767 120.237 119.914 -0.740 0.000 2.270 189 V HA -0.295 3.825 4.120 -0.000 0.000 0.245 189 V C 2.330 178.078 176.094 -0.577 0.000 1.043 189 V CA 2.224 64.171 62.300 -0.589 0.000 1.014 189 V CB -0.872 30.703 31.823 -0.414 0.000 0.645 189 V HN 0.351 nan 8.190 nan 0.000 0.447 190 K N 2.296 122.389 120.400 -0.513 0.000 2.044 190 K HA -0.289 4.031 4.320 -0.000 0.000 0.210 190 K C 1.955 178.214 176.600 -0.567 0.000 1.049 190 K CA 2.528 58.549 56.287 -0.444 0.000 0.927 190 K CB -0.734 31.579 32.500 -0.312 0.000 0.713 190 K HN 0.627 nan 8.250 nan 0.000 0.443 191 Q N -0.691 118.623 119.800 -0.811 0.000 2.515 191 Q HA 0.056 4.396 4.340 -0.000 0.000 0.212 191 Q C 1.053 176.544 176.000 -0.849 0.000 0.970 191 Q CA 1.128 56.451 55.803 -0.799 0.000 0.941 191 Q CB -0.579 27.510 28.738 -1.081 0.000 0.998 191 Q HN 0.337 nan 8.270 nan 0.000 0.518 192 C N 0.111 118.768 119.300 -1.072 0.000 2.754 192 C HA 0.624 5.084 4.460 -0.000 0.000 0.276 192 C C 1.510 175.808 174.990 -1.154 0.000 1.264 192 C CA 0.077 58.100 59.018 -1.657 0.000 1.700 192 C CB -0.884 25.814 27.740 -1.737 0.000 1.885 192 C HN 0.816 nan 8.230 nan 0.000 0.607 193 G N 0.316 108.731 108.800 -0.641 0.000 2.141 193 G HA2 0.281 4.241 3.960 -0.000 0.000 0.231 193 G HA3 0.281 4.241 3.960 -0.000 0.000 0.231 193 G C 0.456 175.181 174.900 -0.292 0.000 0.984 193 G CA 0.048 44.928 45.100 -0.366 0.000 0.660 193 G HN 1.679 nan 8.290 nan 0.000 0.525 194 G N -2.263 106.336 108.800 -0.336 0.000 2.661 194 G HA2 0.319 4.279 3.960 -0.000 0.000 0.685 194 G HA3 0.319 4.279 3.960 -0.000 0.000 0.685 194 G C 1.014 175.814 174.900 -0.165 0.000 1.298 194 G CA 0.861 45.822 45.100 -0.231 0.000 0.855 194 G HN 1.856 nan 8.290 nan 0.000 0.560 195 T N -2.667 111.820 114.554 -0.112 0.000 2.720 195 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 195 T C 2.358 177.013 174.700 -0.076 0.000 1.037 195 T CA 2.919 64.988 62.100 -0.052 0.000 1.144 195 T CB -0.774 68.001 68.868 -0.156 0.000 0.864 195 T HN 0.974 nan 8.240 nan 0.000 0.444 196 T N 1.414 115.900 114.554 -0.112 0.000 2.708 196 T HA -0.054 4.296 4.350 -0.000 0.000 0.266 196 T C 2.115 176.858 174.700 0.072 0.000 1.037 196 T CA 1.564 63.671 62.100 0.012 0.000 1.146 196 T CB -0.332 68.558 68.868 0.036 0.000 0.865 196 T HN 0.324 nan 8.240 nan 0.000 0.435 197 R N 0.980 121.487 120.500 0.012 0.000 2.081 197 R HA 0.115 4.455 4.340 -0.000 0.000 0.235 197 R C 2.210 178.572 176.300 0.104 0.000 1.131 197 R CA 1.244 57.370 56.100 0.044 0.000 0.960 197 R CB -0.868 29.416 30.300 -0.027 0.000 0.856 197 R HN 0.465 nan 8.270 nan 0.000 0.436 198 I N -0.670 119.915 120.570 0.025 0.000 2.439 198 I HA -0.148 4.022 4.170 -0.000 0.000 0.251 198 I C 1.246 177.468 176.117 0.174 0.000 1.139 198 I CA 0.986 62.335 61.300 0.082 0.000 1.438 198 I CB 0.146 38.114 38.000 -0.053 0.000 1.085 198 I HN 0.234 nan 8.210 nan 0.000 0.427 199 I N -0.377 120.298 120.570 0.176 0.000 3.854 199 I HA 0.114 4.284 4.170 -0.000 0.000 0.312 199 I C 1.005 177.197 176.117 0.126 0.000 1.273 199 I CA 0.407 61.810 61.300 0.172 0.000 1.298 199 I CB 0.063 38.213 38.000 0.250 0.000 1.071 199 I HN -0.071 nan 8.210 nan 0.000 0.428 200 S N 0.028 115.795 115.700 0.112 0.000 2.565 200 S HA 0.172 4.642 4.470 -0.000 0.000 0.276 200 S C 1.331 175.940 174.600 0.015 0.000 1.326 200 S CA -0.064 58.163 58.200 0.044 0.000 1.045 200 S CB 1.239 64.456 63.200 0.028 0.000 0.918 200 S HN 0.301 nan 8.310 nan 0.000 0.505 201 T N 2.468 117.011 114.554 -0.017 0.000 2.739 201 T HA -0.002 4.348 4.350 -0.000 0.000 0.246 201 T C 0.654 175.330 174.700 -0.039 0.000 1.058 201 T CA 0.761 62.840 62.100 -0.035 0.000 1.184 201 T CB -0.360 68.483 68.868 -0.042 0.000 0.887 201 T HN 0.612 nan 8.240 nan 0.000 0.408 202 T N 3.441 117.965 114.554 -0.049 0.000 2.829 202 T HA 0.150 4.500 4.350 -0.000 0.000 0.293 202 T C 0.697 175.378 174.700 -0.033 0.000 0.970 202 T CA 0.287 62.361 62.100 -0.042 0.000 1.168 202 T CB -0.060 68.779 68.868 -0.048 0.000 0.911 202 T HN 0.495 nan 8.240 nan 0.000 0.535 203 N N 0.700 119.388 118.700 -0.021 0.000 2.850 203 N HA -0.139 4.601 4.740 -0.000 0.000 0.249 203 N C 0.166 175.688 175.510 0.020 0.000 1.060 203 N CA 1.459 54.508 53.050 -0.003 0.000 0.825 203 N CB -1.095 37.394 38.487 0.002 0.000 1.132 203 N HN 0.940 nan 8.380 nan 0.000 0.564 204 G N -2.915 105.893 108.800 0.014 0.000 3.086 204 G HA2 0.570 4.530 3.960 -0.000 0.000 0.282 204 G HA3 0.570 4.530 3.960 -0.000 0.000 0.282 204 G C 0.929 175.836 174.900 0.011 0.000 1.343 204 G CA -0.016 45.119 45.100 0.058 0.000 0.895 204 G HN 0.293 nan 8.290 nan 0.000 0.557 205 G N -1.063 107.778 108.800 0.069 0.000 2.509 205 G HA2 0.009 3.969 3.960 -0.000 0.000 0.218 205 G HA3 0.009 3.969 3.960 -0.000 0.000 0.218 205 G C 1.104 175.968 174.900 -0.059 0.000 1.124 205 G CA 0.780 45.825 45.100 -0.091 0.000 0.776 205 G HN 0.464 nan 8.290 nan 0.000 0.547 206 Q N -0.592 119.182 119.800 -0.044 0.000 2.189 206 Q HA 0.244 4.584 4.340 -0.000 0.000 0.221 206 Q C 1.637 177.600 176.000 -0.062 0.000 0.848 206 Q CA -0.263 55.473 55.803 -0.111 0.000 1.007 206 Q CB 0.678 29.285 28.738 -0.218 0.000 1.116 206 Q HN 0.566 nan 8.270 nan 0.000 0.481 207 E N 0.979 121.142 120.200 -0.062 0.000 2.077 207 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 207 E C 0.019 176.568 176.600 -0.083 0.000 0.989 207 E CA 0.836 57.196 56.400 -0.066 0.000 0.800 207 E CB 0.478 30.132 29.700 -0.077 0.000 0.746 207 E HN 0.161 nan 8.360 nan 0.000 0.452 208 R N -0.570 119.853 120.500 -0.128 0.000 2.808 208 R HA 0.399 4.739 4.340 -0.000 0.000 0.272 208 R C -0.926 175.137 176.300 -0.396 0.000 0.995 208 R CA -0.799 55.133 56.100 -0.279 0.000 0.917 208 R CB 1.985 32.104 30.300 -0.302 0.000 1.217 208 R HN -0.140 nan 8.270 nan 0.000 0.471 209 K N 1.247 121.233 120.400 -0.689 0.000 2.352 209 K HA 0.431 4.751 4.320 -0.000 0.000 0.240 209 K C -0.782 175.457 176.600 -0.601 0.000 1.017 209 K CA -0.756 55.110 56.287 -0.701 0.000 0.851 209 K CB 1.432 33.559 32.500 -0.622 0.000 1.261 209 K HN 0.280 nan 8.250 nan 0.000 0.451 210 F N 1.029 120.900 119.950 -0.132 0.000 2.420 210 F HA 0.119 4.646 4.527 -0.000 0.000 0.352 210 F C 0.627 176.494 175.800 0.112 0.000 1.108 210 F CA -1.086 56.900 58.000 -0.024 0.000 1.162 210 F CB 1.112 40.078 39.000 -0.055 0.000 1.118 210 F HN 0.022 nan 8.300 nan 0.000 0.510 211 V N 3.887 124.024 119.914 0.371 0.000 2.509 211 V HA 0.167 4.287 4.120 -0.000 0.000 0.297 211 V C 0.995 177.016 176.094 -0.121 0.000 1.014 211 V CA 1.320 63.762 62.300 0.238 0.000 1.127 211 V CB 0.032 31.960 31.823 0.174 0.000 0.925 211 V HN 1.126 nan 8.190 nan 0.000 0.480 212 G N 3.188 111.549 108.800 -0.731 0.000 2.199 212 G HA2 0.136 4.096 3.960 -0.000 0.000 0.254 212 G HA3 0.136 4.096 3.960 -0.000 0.000 0.254 212 G C 0.826 175.219 174.900 -0.845 0.000 0.982 212 G CA -0.018 44.314 45.100 -1.280 0.000 0.632 212 G HN 2.476 nan 8.290 nan 0.000 0.529 213 G N -1.568 107.065 108.800 -0.278 0.000 2.650 213 G HA2 0.376 4.336 3.960 -0.000 0.000 0.686 213 G HA3 0.376 4.336 3.960 -0.000 0.000 0.686 213 G C 0.761 175.704 174.900 0.071 0.000 1.205 213 G CA 0.853 45.970 45.100 0.029 0.000 0.781 213 G HN 1.881 nan 8.290 nan 0.000 0.648 214 S N -0.270 115.522 115.700 0.153 0.000 2.496 214 S HA 0.196 4.666 4.470 -0.000 0.000 0.224 214 S C 2.470 177.090 174.600 0.034 0.000 0.996 214 S CA 1.468 59.779 58.200 0.185 0.000 0.927 214 S CB 0.171 63.531 63.200 0.266 0.000 0.774 214 S HN 2.155 nan 8.310 nan 0.000 0.524 215 G N 1.543 110.364 108.800 0.035 0.000 2.501 215 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.220 215 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.220 215 G C 1.408 176.294 174.900 -0.023 0.000 1.114 215 G CA 0.593 45.711 45.100 0.030 0.000 0.757 215 G HN 0.668 nan 8.290 nan 0.000 0.559 216 Q N -0.179 119.573 119.800 -0.080 0.000 2.297 216 Q HA 0.034 4.374 4.340 -0.000 0.000 0.204 216 Q C 2.621 178.538 176.000 -0.138 0.000 0.962 216 Q CA 0.541 56.276 55.803 -0.113 0.000 0.879 216 Q CB -0.070 28.578 28.738 -0.151 0.000 0.947 216 Q HN 0.395 nan 8.270 nan 0.000 0.462 217 V N 0.383 120.194 119.914 -0.172 0.000 2.233 217 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 217 V C 2.146 178.184 176.094 -0.093 0.000 1.050 217 V CA 2.172 64.367 62.300 -0.175 0.000 1.010 217 V CB -0.583 31.129 31.823 -0.184 0.000 0.637 217 V HN 0.309 nan 8.190 nan 0.000 0.444 218 S N -0.780 114.891 115.700 -0.048 0.000 2.368 218 S HA -0.198 4.272 4.470 -0.000 0.000 0.224 218 S C 1.926 176.509 174.600 -0.028 0.000 1.029 218 S CA 1.552 59.739 58.200 -0.022 0.000 0.988 218 S CB -0.263 62.947 63.200 0.016 0.000 0.838 218 S HN 0.693 nan 8.310 nan 0.000 0.462 219 E N 0.834 121.017 120.200 -0.028 0.000 2.077 219 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 219 E C 2.321 178.894 176.600 -0.046 0.000 0.989 219 E CA 0.835 57.219 56.400 -0.028 0.000 0.800 219 E CB -0.051 29.634 29.700 -0.025 0.000 0.746 219 E HN 0.341 nan 8.360 nan 0.000 0.452 220 R N 0.153 120.614 120.500 -0.065 0.000 2.153 220 R HA 0.019 4.359 4.340 -0.000 0.000 0.218 220 R C 2.266 178.525 176.300 -0.070 0.000 1.072 220 R CA 0.720 56.778 56.100 -0.070 0.000 0.990 220 R CB -0.085 30.162 30.300 -0.088 0.000 0.889 220 R HN 0.220 nan 8.270 nan 0.000 0.452 221 I N 0.600 121.128 120.570 -0.070 0.000 2.353 221 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 221 I C 2.634 178.702 176.117 -0.082 0.000 1.119 221 I CA 0.982 62.237 61.300 -0.075 0.000 1.417 221 I CB -0.161 37.800 38.000 -0.065 0.000 1.078 221 I HN 0.180 nan 8.210 nan 0.000 0.421 222 M N 0.926 120.488 119.600 -0.063 0.000 2.108 222 M HA -0.253 4.227 4.480 -0.000 0.000 0.261 222 M C 1.639 177.901 176.300 -0.063 0.000 1.066 222 M CA 1.981 57.245 55.300 -0.059 0.000 1.107 222 M CB -0.221 32.356 32.600 -0.037 0.000 1.356 222 M HN 0.155 nan 8.290 nan 0.000 0.406 223 D N 0.727 121.093 120.400 -0.057 0.000 2.123 223 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 223 D C 2.026 178.287 176.300 -0.065 0.000 0.992 223 D CA 1.439 55.408 54.000 -0.052 0.000 0.833 223 D CB -0.530 40.243 40.800 -0.045 0.000 0.954 223 D HN 0.425 nan 8.370 nan 0.000 0.455 224 L N 0.107 121.278 121.223 -0.087 0.000 1.994 224 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 224 L C 2.516 179.274 176.870 -0.185 0.000 1.071 224 L CA 0.879 55.649 54.840 -0.118 0.000 0.745 224 L CB -0.482 41.495 42.059 -0.137 0.000 0.892 224 L HN 0.031 nan 8.230 nan 0.000 0.431 225 L N -0.732 120.365 121.223 -0.210 0.000 2.376 225 L HA 0.025 4.365 4.340 -0.000 0.000 0.219 225 L C 1.733 178.531 176.870 -0.121 0.000 1.133 225 L CA 0.481 55.176 54.840 -0.241 0.000 0.816 225 L CB -1.096 40.847 42.059 -0.194 0.000 0.933 225 L HN 0.501 nan 8.230 nan 0.000 0.449 226 G N 1.883 110.635 108.800 -0.080 0.000 2.634 226 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.309 226 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.309 226 G C 0.537 175.419 174.900 -0.029 0.000 1.265 226 G CA 0.593 45.668 45.100 -0.041 0.000 0.998 226 G HN 0.542 nan 8.290 nan 0.000 0.551 227 D N 0.915 121.309 120.400 -0.011 0.000 2.352 227 D HA 0.047 4.687 4.640 -0.000 0.000 0.232 227 D C 2.053 178.357 176.300 0.008 0.000 1.055 227 D CA 0.721 54.722 54.000 0.002 0.000 0.891 227 D CB -0.310 40.499 40.800 0.015 0.000 0.897 227 D HN 0.631 nan 8.370 nan 0.000 0.529 228 R N -0.136 120.360 120.500 -0.006 0.000 2.189 228 R HA 0.081 4.421 4.340 -0.000 0.000 0.218 228 R C 0.364 176.645 176.300 -0.033 0.000 1.074 228 R CA 0.312 56.408 56.100 -0.006 0.000 0.991 228 R CB 0.195 30.487 30.300 -0.013 0.000 0.883 228 R HN 0.088 nan 8.270 nan 0.000 0.457 229 V N 3.000 122.889 119.914 -0.041 0.000 2.432 229 V HA 0.087 4.207 4.120 -0.000 0.000 0.271 229 V C 0.002 176.070 176.094 -0.043 0.000 1.046 229 V CA -0.187 62.082 62.300 -0.052 0.000 0.945 229 V CB 1.257 33.051 31.823 -0.048 0.000 0.992 229 V HN 0.062 nan 8.190 nan 0.000 0.471 230 K N 6.527 126.888 120.400 -0.066 0.000 2.389 230 K HA 0.521 4.841 4.320 -0.000 0.000 0.261 230 K C -0.705 175.862 176.600 -0.055 0.000 1.014 230 K CA -0.343 55.914 56.287 -0.048 0.000 0.920 230 K CB 1.861 34.319 32.500 -0.070 0.000 1.149 230 K HN 0.502 nan 8.250 nan 0.000 0.444 231 L N 1.799 123.002 121.223 -0.033 0.000 2.418 231 L HA 0.143 4.483 4.340 -0.000 0.000 0.265 231 L C 0.686 177.532 176.870 -0.041 0.000 1.143 231 L CA -0.085 54.731 54.840 -0.039 0.000 0.809 231 L CB 0.234 42.280 42.059 -0.022 0.000 1.124 231 L HN 0.706 nan 8.230 nan 0.000 0.456 232 E N 0.750 120.912 120.200 -0.063 0.000 2.389 232 E HA -0.236 4.114 4.350 -0.000 0.000 0.243 232 E C -0.471 176.089 176.600 -0.067 0.000 1.154 232 E CA 0.271 56.629 56.400 -0.069 0.000 0.723 232 E CB -0.824 28.857 29.700 -0.032 0.000 1.261 232 E HN 0.361 nan 8.360 nan 0.000 0.390 233 R N 0.234 120.678 120.500 -0.094 0.000 2.860 233 R HA 0.244 4.584 4.340 -0.000 0.000 0.282 233 R C -2.692 173.534 176.300 -0.125 0.000 1.408 233 R CA -2.019 54.035 56.100 -0.078 0.000 1.636 233 R CB 0.569 30.828 30.300 -0.068 0.000 1.187 233 R HN 0.002 nan 8.270 nan 0.000 0.611 234 P HA 0.025 nan 4.420 nan 0.000 0.271 234 P C -0.319 176.942 177.300 -0.065 0.000 1.226 234 P CA -0.205 62.790 63.100 -0.175 0.000 0.765 234 P CB 0.988 32.580 31.700 -0.180 0.000 0.835 235 V N 5.629 125.514 119.914 -0.048 0.000 2.508 235 V HA 0.048 4.168 4.120 -0.000 0.000 0.281 235 V C 1.743 177.849 176.094 0.019 0.000 1.041 235 V CA 0.426 62.717 62.300 -0.016 0.000 1.016 235 V CB 0.264 32.067 31.823 -0.033 0.000 0.984 235 V HN 0.546 nan 8.190 nan 0.000 0.478 236 I N 2.091 122.684 120.570 0.038 0.000 4.187 236 I HA 0.425 4.595 4.170 -0.000 0.000 0.326 236 I C 0.020 176.221 176.117 0.141 0.000 1.302 236 I CA 0.170 61.521 61.300 0.086 0.000 1.196 236 I CB 0.619 38.646 38.000 0.045 0.000 1.095 236 I HN 0.509 nan 8.210 nan 0.000 0.411 237 Y N 2.031 122.272 120.300 -0.099 0.000 2.390 237 Y HA 0.661 5.210 4.550 -0.000 0.000 0.324 237 Y C -1.861 173.954 175.900 -0.143 0.000 1.151 237 Y CA -1.523 56.504 58.100 -0.123 0.000 1.053 237 Y CB 1.546 39.966 38.460 -0.066 0.000 1.277 237 Y HN -0.006 nan 8.280 nan 0.000 0.432 238 I N 5.982 126.116 120.570 -0.728 0.000 2.439 238 I HA 0.293 4.463 4.170 -0.000 0.000 0.285 238 I C -1.266 174.452 176.117 -0.665 0.000 1.021 238 I CA -0.687 60.269 61.300 -0.573 0.000 1.091 238 I CB 1.753 39.561 38.000 -0.320 0.000 1.242 238 I HN 0.518 nan 8.210 nan 0.000 0.439 239 D N 6.378 126.436 120.400 -0.571 0.000 2.381 239 D HA 0.251 4.891 4.640 -0.000 0.000 0.235 239 D C -0.258 175.968 176.300 -0.124 0.000 1.068 239 D CA -0.186 53.600 54.000 -0.356 0.000 0.832 239 D CB 1.553 42.204 40.800 -0.249 0.000 1.101 239 D HN 0.517 nan 8.370 nan 0.000 0.515 240 Q N 1.972 121.741 119.800 -0.053 0.000 2.186 240 Q HA 0.084 4.424 4.340 -0.000 0.000 0.241 240 Q C 1.082 177.080 176.000 -0.003 0.000 0.849 240 Q CA -0.036 55.756 55.803 -0.018 0.000 1.053 240 Q CB 0.748 29.489 28.738 0.005 0.000 1.146 240 Q HN 0.534 nan 8.270 nan 0.000 0.475 241 T N -2.937 111.620 114.554 0.005 0.000 3.081 241 T HA 0.157 4.506 4.350 -0.000 0.000 0.255 241 T C 0.885 175.591 174.700 0.010 0.000 1.113 241 T CA 0.051 62.161 62.100 0.017 0.000 1.082 241 T CB 0.341 69.230 68.868 0.035 0.000 0.939 241 T HN 0.078 nan 8.240 nan 0.000 0.506 242 R N 0.382 120.883 120.500 0.002 0.000 2.944 242 R HA 0.508 4.848 4.340 -0.000 0.000 0.233 242 R C 1.350 177.640 176.300 -0.016 0.000 1.346 242 R CA -0.726 55.373 56.100 -0.001 0.000 1.082 242 R CB 0.869 31.172 30.300 0.005 0.000 1.434 242 R HN 0.146 nan 8.270 nan 0.000 0.510 243 E N 0.872 121.061 120.200 -0.017 0.000 2.033 243 E HA -0.183 4.167 4.350 -0.000 0.000 0.199 243 E C -0.170 176.399 176.600 -0.051 0.000 1.011 243 E CA 1.353 57.735 56.400 -0.030 0.000 0.815 243 E CB 0.126 29.812 29.700 -0.022 0.000 0.755 243 E HN 0.310 nan 8.360 nan 0.000 0.451 244 N N 0.055 118.729 118.700 -0.043 0.000 2.489 244 N HA 0.184 4.924 4.740 -0.000 0.000 0.284 244 N C -0.926 174.557 175.510 -0.045 0.000 1.158 244 N CA -0.396 52.620 53.050 -0.056 0.000 0.965 244 N CB 1.883 40.349 38.487 -0.035 0.000 1.195 244 N HN -0.094 nan 8.380 nan 0.000 0.506 245 V N 1.616 121.498 119.914 -0.054 0.000 2.583 245 V HA 0.257 4.377 4.120 -0.000 0.000 0.287 245 V C 0.424 176.510 176.094 -0.014 0.000 1.051 245 V CA -0.407 61.870 62.300 -0.038 0.000 1.010 245 V CB 0.504 32.306 31.823 -0.036 0.000 0.988 245 V HN 0.361 nan 8.190 nan 0.000 0.478 246 L N 5.055 126.263 121.223 -0.024 0.000 2.313 246 L HA 0.597 4.937 4.340 -0.000 0.000 0.283 246 L C -0.774 176.082 176.870 -0.024 0.000 1.013 246 L CA -0.566 54.277 54.840 0.005 0.000 0.816 246 L CB 1.929 44.008 42.059 0.032 0.000 1.236 246 L HN 0.381 nan 8.230 nan 0.000 0.419 247 V N 2.857 122.802 119.914 0.051 0.000 2.407 247 V HA 0.340 4.460 4.120 -0.000 0.000 0.291 247 V C -0.200 175.985 176.094 0.152 0.000 1.018 247 V CA -0.627 61.703 62.300 0.050 0.000 0.842 247 V CB 1.706 33.559 31.823 0.049 0.000 0.996 247 V HN 0.726 nan 8.190 nan 0.000 0.426 248 E N 3.104 123.397 120.200 0.156 0.000 2.204 248 E HA 0.641 4.991 4.350 -0.000 0.000 0.276 248 E C -0.188 176.483 176.600 0.118 0.000 0.974 248 E CA -0.460 56.047 56.400 0.179 0.000 0.815 248 E CB 1.803 31.634 29.700 0.219 0.000 1.119 248 E HN 0.816 nan 8.360 nan 0.000 0.393 249 T N 1.011 115.626 114.554 0.102 0.000 2.952 249 T HA 0.195 4.545 4.350 -0.000 0.000 0.286 249 T C 0.971 175.629 174.700 -0.069 0.000 1.024 249 T CA -0.833 61.287 62.100 0.033 0.000 1.029 249 T CB 1.143 70.052 68.868 0.067 0.000 1.094 249 T HN 0.460 nan 8.240 nan 0.000 0.515 250 L N 1.655 122.820 121.223 -0.098 0.000 2.083 250 L HA 0.011 4.350 4.340 -0.000 0.000 0.209 250 L C 1.939 178.596 176.870 -0.355 0.000 1.083 250 L CA 2.130 56.856 54.840 -0.190 0.000 0.752 250 L CB -1.041 40.967 42.059 -0.084 0.000 0.899 250 L HN 0.946 nan 8.230 nan 0.000 0.433 251 N N -2.788 115.803 118.700 -0.181 0.000 2.421 251 N HA -0.096 4.644 4.740 -0.000 0.000 0.201 251 N C 0.064 175.583 175.510 0.014 0.000 1.198 251 N CA 0.331 53.334 53.050 -0.079 0.000 0.838 251 N CB -0.245 38.255 38.487 0.022 0.000 1.011 251 N HN 0.403 nan 8.380 nan 0.000 0.463 252 H N -2.528 116.556 119.070 0.023 0.000 3.270 252 H HA -0.136 4.420 4.556 -0.000 0.000 0.215 252 H C -0.934 174.396 175.328 0.004 0.000 1.133 252 H CA 0.757 56.809 56.048 0.008 0.000 1.150 252 H CB -1.887 27.869 29.762 -0.009 0.000 1.166 252 H HN 0.634 nan 8.280 nan 0.000 0.315 253 E N 1.020 121.272 120.200 0.086 0.000 2.301 253 E HA 0.417 4.767 4.350 -0.000 0.000 0.275 253 E C 0.578 177.181 176.600 0.004 0.000 1.030 253 E CA -0.396 56.014 56.400 0.018 0.000 0.852 253 E CB 1.015 30.753 29.700 0.063 0.000 1.060 253 E HN 0.047 nan 8.360 nan 0.000 0.401 254 M N 2.765 122.268 119.600 -0.162 0.000 2.294 254 M HA 0.346 4.825 4.480 -0.000 0.000 0.335 254 M C -1.310 174.787 176.300 -0.338 0.000 1.079 254 M CA -0.554 54.685 55.300 -0.101 0.000 0.982 254 M CB 0.937 33.510 32.600 -0.044 0.000 1.651 254 M HN 0.505 nan 8.290 nan 0.000 0.437 255 Y N 0.453 120.764 120.300 0.019 0.000 2.468 255 Y HA 0.525 5.075 4.550 -0.000 0.000 0.342 255 Y C -0.039 175.865 175.900 0.006 0.000 1.021 255 Y CA -0.766 57.340 58.100 0.010 0.000 1.079 255 Y CB 1.712 40.175 38.460 0.006 0.000 1.226 255 Y HN 0.560 nan 8.280 nan 0.000 0.460 256 E N 1.426 121.708 120.200 0.136 0.000 2.246 256 E HA 0.813 5.163 4.350 -0.000 0.000 0.266 256 E C -1.675 174.964 176.600 0.065 0.000 0.880 256 E CA -0.641 55.800 56.400 0.068 0.000 0.762 256 E CB 1.370 31.087 29.700 0.027 0.000 1.180 256 E HN 0.779 nan 8.360 nan 0.000 0.416 257 A N 3.586 126.428 122.820 0.038 0.000 2.593 257 A HA 0.410 4.730 4.320 -0.000 0.000 0.290 257 A C -0.076 177.487 177.584 -0.036 0.000 1.126 257 A CA -0.634 51.419 52.037 0.027 0.000 0.695 257 A CB 1.519 20.553 19.000 0.056 0.000 1.290 257 A HN 0.666 nan 8.150 nan 0.000 0.414 258 K N -0.876 119.488 120.400 -0.061 0.000 2.116 258 K HA 0.113 4.433 4.320 -0.000 0.000 0.203 258 K C -0.683 175.626 176.600 -0.485 0.000 1.052 258 K CA 1.454 57.579 56.287 -0.270 0.000 0.952 258 K CB -0.053 32.313 32.500 -0.223 0.000 0.729 258 K HN 0.597 nan 8.250 nan 0.000 0.446 259 Y N -1.145 119.180 120.300 0.042 0.000 2.588 259 Y HA 0.397 4.947 4.550 -0.000 0.000 0.343 259 Y C -0.685 175.243 175.900 0.047 0.000 1.065 259 Y CA -1.324 56.818 58.100 0.070 0.000 1.038 259 Y CB 1.897 40.404 38.460 0.078 0.000 1.297 259 Y HN -0.419 nan 8.280 nan 0.000 0.467 260 V N 3.029 123.085 119.914 0.236 0.000 2.735 260 V HA 0.491 4.611 4.120 -0.000 0.000 0.310 260 V C -0.699 175.441 176.094 0.077 0.000 1.061 260 V CA -0.868 61.493 62.300 0.103 0.000 0.913 260 V CB 2.182 34.026 31.823 0.036 0.000 1.005 260 V HN 0.546 nan 8.190 nan 0.000 0.428 261 I N 2.676 123.261 120.570 0.025 0.000 2.362 261 I HA 0.346 4.516 4.170 -0.000 0.000 0.289 261 I C 0.262 176.359 176.117 -0.034 0.000 0.994 261 I CA -0.129 61.164 61.300 -0.010 0.000 1.158 261 I CB 1.912 39.917 38.000 0.008 0.000 1.315 261 I HN 0.612 nan 8.210 nan 0.000 0.451 262 S N 5.404 121.043 115.700 -0.102 0.000 2.416 262 S HA 0.530 5.000 4.470 -0.000 0.000 0.287 262 S C 0.407 175.075 174.600 0.112 0.000 1.139 262 S CA -0.464 57.744 58.200 0.014 0.000 1.058 262 S CB 0.543 63.771 63.200 0.048 0.000 0.967 262 S HN 0.704 nan 8.310 nan 0.000 0.495 263 A N 6.003 128.885 122.820 0.104 0.000 2.911 263 A HA 0.487 4.807 4.320 -0.000 0.000 0.304 263 A C 0.244 177.906 177.584 0.131 0.000 1.144 263 A CA -0.689 51.418 52.037 0.117 0.000 0.988 263 A CB -0.572 18.472 19.000 0.074 0.000 1.141 263 A HN 0.912 nan 8.150 nan 0.000 0.552 264 I N -4.021 116.648 120.570 0.164 0.000 2.846 264 I HA 0.688 4.858 4.170 -0.000 0.000 0.307 264 I C -2.945 173.273 176.117 0.168 0.000 1.053 264 I CA -3.139 58.256 61.300 0.158 0.000 1.050 264 I CB 1.732 39.827 38.000 0.158 0.000 1.239 264 I HN -0.154 nan 8.210 nan 0.000 0.439 265 P HA 0.130 nan 4.420 nan 0.000 0.264 265 P C -2.196 175.164 177.300 0.099 0.000 1.183 265 P CA -0.679 62.495 63.100 0.123 0.000 0.763 265 P CB -0.065 31.694 31.700 0.098 0.000 0.807 266 P HA -0.198 nan 4.420 nan 0.000 0.216 266 P C 1.612 178.897 177.300 -0.025 0.000 1.153 266 P CA 1.781 64.891 63.100 0.016 0.000 0.858 266 P CB -0.233 31.443 31.700 -0.040 0.000 0.789 267 T N -1.355 113.160 114.554 -0.065 0.000 2.929 267 T HA -0.059 4.291 4.350 -0.000 0.000 0.271 267 T C 1.497 176.186 174.700 -0.018 0.000 1.085 267 T CA 0.740 62.789 62.100 -0.085 0.000 1.125 267 T CB -0.788 67.998 68.868 -0.138 0.000 0.874 267 T HN -0.027 nan 8.240 nan 0.000 0.494 268 L N 0.255 121.498 121.223 0.034 0.000 2.465 268 L HA 0.158 4.498 4.340 -0.000 0.000 0.224 268 L C 2.786 179.730 176.870 0.123 0.000 1.145 268 L CA 0.691 55.578 54.840 0.078 0.000 0.834 268 L CB -0.624 41.508 42.059 0.121 0.000 0.944 268 L HN 0.338 nan 8.230 nan 0.000 0.451 269 G N -0.280 108.606 108.800 0.142 0.000 2.498 269 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 269 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 269 G C 1.605 176.651 174.900 0.243 0.000 1.119 269 G CA 0.172 45.419 45.100 0.244 0.000 0.766 269 G HN 0.134 nan 8.290 nan 0.000 0.552 270 M N 0.374 120.040 119.600 0.110 0.000 2.279 270 M HA 0.014 4.494 4.480 -0.000 0.000 0.264 270 M C 2.131 178.447 176.300 0.026 0.000 1.062 270 M CA 0.969 56.302 55.300 0.054 0.000 1.099 270 M CB -0.475 32.117 32.600 -0.014 0.000 1.394 270 M HN 0.196 nan 8.290 nan 0.000 0.426 271 K N 0.119 120.554 120.400 0.058 0.000 2.504 271 K HA 0.112 4.432 4.320 -0.000 0.000 0.195 271 K C 0.431 177.074 176.600 0.071 0.000 1.036 271 K CA 0.481 56.807 56.287 0.066 0.000 0.984 271 K CB 0.077 32.650 32.500 0.121 0.000 0.788 271 K HN 0.337 nan 8.250 nan 0.000 0.488 272 I N 1.284 121.864 120.570 0.016 0.000 2.377 272 I HA 0.110 4.280 4.170 -0.000 0.000 0.293 272 I C 0.213 176.183 176.117 -0.246 0.000 0.987 272 I CA -0.689 60.527 61.300 -0.140 0.000 1.185 272 I CB 1.245 39.000 38.000 -0.408 0.000 1.341 272 I HN 0.029 nan 8.210 nan 0.000 0.455 273 H N 6.095 125.069 119.070 -0.159 0.000 2.527 273 H HA 0.339 4.895 4.556 -0.000 0.000 0.321 273 H C -1.101 174.134 175.328 -0.155 0.000 1.087 273 H CA -0.202 55.849 56.048 0.006 0.000 1.337 273 H CB 1.109 30.957 29.762 0.143 0.000 1.440 273 H HN 0.316 nan 8.280 nan 0.000 0.490 274 F N 1.807 121.851 119.950 0.156 0.000 2.469 274 F HA 0.170 4.697 4.527 -0.000 0.000 0.332 274 F C 0.568 176.408 175.800 0.068 0.000 1.103 274 F CA -0.775 57.251 58.000 0.043 0.000 0.979 274 F CB 1.378 40.390 39.000 0.021 0.000 1.137 274 F HN 0.474 nan 8.300 nan 0.000 0.463 275 N N 4.291 123.077 118.700 0.143 0.000 2.461 275 N HA 0.429 5.169 4.740 -0.000 0.000 0.284 275 N C -3.049 172.507 175.510 0.077 0.000 1.049 275 N CA -2.308 50.823 53.050 0.136 0.000 0.889 275 N CB 2.116 40.720 38.487 0.194 0.000 1.365 275 N HN 0.075 nan 8.380 nan 0.000 0.499 276 P HA 0.310 nan 4.420 nan 0.000 0.274 276 P C -2.641 174.731 177.300 0.121 0.000 1.256 276 P CA -1.014 62.143 63.100 0.095 0.000 0.795 276 P CB -0.373 31.362 31.700 0.058 0.000 1.038 277 P HA 0.050 nan 4.420 nan 0.000 0.267 277 P C 0.184 177.491 177.300 0.012 0.000 1.201 277 P CA 0.311 63.466 63.100 0.091 0.000 0.775 277 P CB 0.169 31.905 31.700 0.060 0.000 0.854 278 L N 3.476 124.653 121.223 -0.077 0.000 2.499 278 L HA 0.103 4.443 4.340 -0.000 0.000 0.281 278 L C -1.625 175.183 176.870 -0.103 0.000 1.234 278 L CA -1.450 53.273 54.840 -0.196 0.000 0.839 278 L CB -0.613 41.236 42.059 -0.350 0.000 1.104 278 L HN 0.320 nan 8.230 nan 0.000 0.500 279 P HA -0.040 nan 4.420 nan 0.000 0.270 279 P C 0.599 177.862 177.300 -0.062 0.000 1.223 279 P CA -0.281 62.781 63.100 -0.063 0.000 0.785 279 P CB 0.462 32.127 31.700 -0.060 0.000 0.923 280 M N 1.521 121.097 119.600 -0.039 0.000 2.082 280 M HA -0.209 4.271 4.480 -0.000 0.000 0.258 280 M C 1.240 177.542 176.300 0.003 0.000 1.069 280 M CA 2.308 57.596 55.300 -0.021 0.000 1.102 280 M CB -0.402 32.189 32.600 -0.015 0.000 1.336 280 M HN 0.150 nan 8.290 nan 0.000 0.404 281 M N -0.173 119.426 119.600 -0.002 0.000 2.117 281 M HA -0.157 4.323 4.480 -0.000 0.000 0.262 281 M C 2.319 178.662 176.300 0.072 0.000 1.065 281 M CA 1.819 57.157 55.300 0.063 0.000 1.114 281 M CB -1.468 31.110 32.600 -0.037 0.000 1.361 281 M HN 0.439 nan 8.290 nan 0.000 0.408 282 R N 0.412 120.880 120.500 -0.054 0.000 2.075 282 R HA -0.163 4.177 4.340 -0.000 0.000 0.232 282 R C 1.998 178.207 176.300 -0.152 0.000 1.126 282 R CA 1.793 57.810 56.100 -0.139 0.000 0.963 282 R CB -0.237 29.931 30.300 -0.220 0.000 0.858 282 R HN 0.352 nan 8.270 nan 0.000 0.435 283 N N 0.223 118.850 118.700 -0.122 0.000 2.094 283 N HA -0.214 4.526 4.740 -0.000 0.000 0.191 283 N C 1.575 177.015 175.510 -0.117 0.000 1.023 283 N CA 1.823 54.805 53.050 -0.113 0.000 0.857 283 N CB 0.071 38.514 38.487 -0.074 0.000 1.013 283 N HN 0.361 nan 8.380 nan 0.000 0.426 284 Q N -1.080 118.659 119.800 -0.102 0.000 2.212 284 Q HA -0.038 4.302 4.340 -0.000 0.000 0.199 284 Q C 1.932 177.679 176.000 -0.422 0.000 0.950 284 Q CA 0.539 56.229 55.803 -0.187 0.000 0.863 284 Q CB -0.096 28.601 28.738 -0.067 0.000 0.944 284 Q HN 0.497 nan 8.270 nan 0.000 0.465 285 M N 1.732 121.082 119.600 -0.416 0.000 2.080 285 M HA -0.167 4.313 4.480 -0.000 0.000 0.260 285 M C 2.039 178.090 176.300 -0.415 0.000 1.068 285 M CA 1.664 56.643 55.300 -0.535 0.000 1.109 285 M CB -0.540 31.933 32.600 -0.212 0.000 1.342 285 M HN 0.307 nan 8.290 nan 0.000 0.405 286 I N -1.286 119.112 120.570 -0.288 0.000 3.241 286 I HA -0.098 4.072 4.170 -0.000 0.000 0.280 286 I C 1.465 177.446 176.117 -0.225 0.000 1.320 286 I CA 1.489 62.651 61.300 -0.229 0.000 1.413 286 I CB -1.021 36.890 38.000 -0.149 0.000 1.060 286 I HN 0.362 nan 8.210 nan 0.000 0.500 287 T N -2.511 111.885 114.554 -0.264 0.000 3.069 287 T HA 0.283 4.633 4.350 -0.000 0.000 0.252 287 T C 1.484 176.010 174.700 -0.289 0.000 1.053 287 T CA -0.232 61.727 62.100 -0.234 0.000 0.964 287 T CB -0.009 68.743 68.868 -0.192 0.000 1.005 287 T HN 0.429 nan 8.240 nan 0.000 0.532 288 R N 0.859 121.124 120.500 -0.390 0.000 2.508 288 R HA 0.324 4.664 4.340 -0.000 0.000 0.300 288 R C -0.126 175.847 176.300 -0.545 0.000 0.970 288 R CA 0.031 55.868 56.100 -0.439 0.000 1.102 288 R CB 1.442 31.417 30.300 -0.541 0.000 1.246 288 R HN 0.429 nan 8.270 nan 0.000 0.539 289 V N -0.684 118.896 119.914 -0.558 0.000 2.383 289 V HA 0.475 4.595 4.120 -0.000 0.000 0.261 289 V C -2.639 173.099 176.094 -0.594 0.000 0.987 289 V CA -2.277 59.584 62.300 -0.732 0.000 0.853 289 V CB 0.727 32.077 31.823 -0.790 0.000 1.095 289 V HN -0.106 nan 8.190 nan 0.000 0.461 290 P HA 0.484 nan 4.420 nan 0.000 0.275 290 P C -0.669 176.327 177.300 -0.506 0.000 1.266 290 P CA -0.303 62.475 63.100 -0.537 0.000 0.793 290 P CB 1.732 33.100 31.700 -0.553 0.000 1.074 291 L N -0.261 120.841 121.223 -0.202 0.000 2.332 291 L HA 0.611 4.951 4.340 -0.000 0.000 0.269 291 L C 1.386 178.332 176.870 0.125 0.000 1.016 291 L CA -0.313 54.511 54.840 -0.027 0.000 0.809 291 L CB 0.717 42.784 42.059 0.015 0.000 1.280 291 L HN 0.473 nan 8.230 nan 0.000 0.447 292 G N -0.313 108.580 108.800 0.154 0.000 2.588 292 G HA2 0.464 4.424 3.960 -0.000 0.000 0.278 292 G HA3 0.464 4.424 3.960 -0.000 0.000 0.278 292 G C -0.836 174.067 174.900 0.005 0.000 1.307 292 G CA -0.351 44.792 45.100 0.070 0.000 1.016 292 G HN 0.487 nan 8.290 nan 0.000 0.503 293 S N -1.471 114.201 115.700 -0.047 0.000 2.561 293 S HA 0.611 5.081 4.470 -0.000 0.000 0.303 293 S C -1.061 173.523 174.600 -0.025 0.000 1.110 293 S CA -0.519 57.682 58.200 0.001 0.000 1.034 293 S CB 1.723 64.934 63.200 0.018 0.000 1.010 293 S HN 0.881 nan 8.310 nan 0.000 0.482 294 V N 4.632 124.584 119.914 0.065 0.000 2.950 294 V HA 0.537 4.657 4.120 -0.000 0.000 0.295 294 V C -2.005 174.250 176.094 0.269 0.000 1.297 294 V CA -0.726 61.648 62.300 0.122 0.000 0.962 294 V CB 1.675 33.511 31.823 0.022 0.000 1.081 294 V HN 0.878 nan 8.190 nan 0.000 0.432 295 I N 5.284 126.017 120.570 0.272 0.000 2.362 295 I HA 0.523 4.693 4.170 -0.000 0.000 0.289 295 I C -0.148 176.196 176.117 0.379 0.000 0.994 295 I CA -0.573 60.903 61.300 0.293 0.000 1.158 295 I CB 1.647 39.761 38.000 0.190 0.000 1.315 295 I HN 0.538 nan 8.210 nan 0.000 0.451 296 K N 5.876 126.534 120.400 0.430 0.000 2.227 296 K HA 0.580 4.900 4.320 -0.000 0.000 0.280 296 K C -1.423 175.284 176.600 0.178 0.000 1.041 296 K CA -0.271 56.230 56.287 0.356 0.000 0.905 296 K CB 0.854 33.632 32.500 0.463 0.000 1.068 296 K HN 0.714 nan 8.250 nan 0.000 0.470 297 C N 5.125 124.490 119.300 0.109 0.000 2.498 297 C HA 0.589 5.049 4.460 -0.000 0.000 0.316 297 C C -0.945 174.092 174.990 0.079 0.000 1.209 297 C CA -1.070 58.017 59.018 0.115 0.000 1.518 297 C CB 0.152 28.061 27.740 0.280 0.000 2.147 297 C HN 0.746 nan 8.230 nan 0.000 0.483 298 I N 2.921 123.512 120.570 0.035 0.000 2.468 298 I HA 0.375 4.545 4.170 -0.000 0.000 0.284 298 I C -0.341 175.785 176.117 0.015 0.000 1.038 298 I CA -0.084 61.187 61.300 -0.048 0.000 1.083 298 I CB 1.486 39.410 38.000 -0.126 0.000 1.223 298 I HN 0.375 nan 8.210 nan 0.000 0.443 299 V N 6.628 126.547 119.914 0.008 0.000 2.383 299 V HA 0.356 4.476 4.120 -0.000 0.000 0.275 299 V C -0.542 175.363 176.094 -0.316 0.000 1.036 299 V CA -0.692 61.609 62.300 0.002 0.000 0.889 299 V CB 0.557 32.430 31.823 0.083 0.000 0.985 299 V HN 0.393 nan 8.190 nan 0.000 0.459 300 Y N 4.273 124.510 120.300 -0.105 0.000 2.310 300 Y HA 0.624 5.174 4.550 -0.000 0.000 0.326 300 Y C -0.184 175.576 175.900 -0.233 0.000 1.151 300 Y CA -0.278 57.810 58.100 -0.021 0.000 1.195 300 Y CB 1.086 39.636 38.460 0.149 0.000 1.210 300 Y HN 0.531 nan 8.280 nan 0.000 0.483 301 Y N 0.139 120.678 120.300 0.399 0.000 2.576 301 Y HA 0.267 4.817 4.550 -0.000 0.000 0.346 301 Y C 1.134 177.176 175.900 0.237 0.000 1.018 301 Y CA -1.390 56.920 58.100 0.350 0.000 1.050 301 Y CB 1.962 40.719 38.460 0.496 0.000 1.280 301 Y HN 0.517 nan 8.280 nan 0.000 0.474 302 K N 0.538 121.154 120.400 0.360 0.000 2.057 302 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 302 K C -0.545 176.127 176.600 0.119 0.000 1.049 302 K CA 1.688 58.082 56.287 0.178 0.000 0.931 302 K CB 0.205 32.783 32.500 0.130 0.000 0.714 302 K HN 0.749 nan 8.250 nan 0.000 0.440 303 E N -0.622 119.665 120.200 0.144 0.000 2.393 303 E HA 0.214 4.564 4.350 -0.000 0.000 0.273 303 E C -2.647 173.831 176.600 -0.202 0.000 0.918 303 E CA -2.357 54.036 56.400 -0.011 0.000 0.773 303 E CB 2.200 31.882 29.700 -0.029 0.000 1.275 303 E HN -0.011 nan 8.360 nan 0.000 0.451 304 P HA 0.029 nan 4.420 nan 0.000 0.230 304 P C 0.306 176.702 177.300 -1.506 0.000 1.791 304 P CA -0.014 62.204 63.100 -1.471 0.000 1.020 304 P CB -0.884 30.227 31.700 -0.982 0.000 1.977 305 F N 0.051 119.471 119.950 -0.884 0.000 2.250 305 F HA -0.149 4.378 4.527 -0.000 0.000 0.301 305 F C 1.827 177.463 175.800 -0.274 0.000 1.077 305 F CA 0.117 57.868 58.000 -0.414 0.000 1.348 305 F CB -1.847 37.034 39.000 -0.198 0.000 1.040 305 F HN 0.121 nan 8.300 nan 0.000 0.509 306 W N 1.320 122.271 121.300 -0.582 0.000 2.350 306 W HA -0.034 4.626 4.660 0.000 0.000 0.289 306 W C 2.076 178.540 176.519 -0.091 0.000 1.215 306 W CA 1.055 58.270 57.345 -0.218 0.000 1.236 306 W CB -1.168 28.099 29.460 -0.322 0.000 1.130 306 W HN -0.120 nan 8.180 nan 0.000 0.541 307 R N 1.050 121.330 120.500 -0.367 0.000 2.152 307 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 307 R C 2.024 178.234 176.300 -0.150 0.000 1.117 307 R CA 1.747 57.726 56.100 -0.202 0.000 0.981 307 R CB -0.388 29.732 30.300 -0.300 0.000 0.870 307 R HN 0.270 nan 8.270 nan 0.000 0.451 308 K N 0.517 120.828 120.400 -0.148 0.000 2.148 308 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 308 K C 1.434 177.965 176.600 -0.114 0.000 1.050 308 K CA 1.025 57.252 56.287 -0.101 0.000 0.942 308 K CB 0.143 32.608 32.500 -0.057 0.000 0.724 308 K HN 0.035 nan 8.250 nan 0.000 0.446 309 K N 0.693 121.002 120.400 -0.151 0.000 2.437 309 K HA -0.038 4.282 4.320 -0.000 0.000 0.198 309 K C -0.481 175.775 176.600 -0.574 0.000 1.024 309 K CA 0.212 56.300 56.287 -0.332 0.000 1.148 309 K CB 0.333 32.621 32.500 -0.354 0.000 0.860 309 K HN 0.050 nan 8.250 nan 0.000 0.515 310 D N 0.110 120.319 120.400 -0.319 0.000 2.800 310 D HA -0.211 4.429 4.640 -0.000 0.000 0.232 310 D C -1.331 174.851 176.300 -0.197 0.000 1.137 310 D CA 0.899 54.763 54.000 -0.227 0.000 0.718 310 D CB -1.446 39.245 40.800 -0.181 0.000 1.084 310 D HN 0.319 nan 8.370 nan 0.000 0.432 311 Y N -0.888 119.445 120.300 0.056 0.000 2.360 311 Y HA 0.318 4.868 4.550 -0.000 0.000 0.337 311 Y C 2.102 178.078 175.900 0.126 0.000 1.039 311 Y CA -0.894 57.239 58.100 0.056 0.000 1.109 311 Y CB 1.173 39.673 38.460 0.066 0.000 1.201 311 Y HN 0.233 nan 8.280 nan 0.000 0.458 312 C N -1.001 118.414 119.300 0.193 0.000 2.481 312 C HA 0.423 4.883 4.460 -0.000 0.000 0.275 312 C C 1.772 176.821 174.990 0.098 0.000 1.419 312 C CA 0.446 59.556 59.018 0.152 0.000 1.773 312 C CB -1.005 26.748 27.740 0.021 0.000 1.862 312 C HN 1.241 nan 8.230 nan 0.000 0.530 313 G N -0.180 108.516 108.800 -0.173 0.000 2.218 313 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.216 313 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.216 313 G C 0.043 174.605 174.900 -0.563 0.000 0.994 313 G CA 0.201 44.864 45.100 -0.729 0.000 0.637 313 G HN 0.578 nan 8.290 nan 0.000 0.505 314 T N 2.395 116.727 114.554 -0.370 0.000 2.761 314 T HA 0.628 4.978 4.350 -0.000 0.000 0.296 314 T C 0.314 174.809 174.700 -0.342 0.000 0.934 314 T CA 0.538 62.400 62.100 -0.397 0.000 1.091 314 T CB 0.827 69.517 68.868 -0.296 0.000 0.896 314 T HN 0.308 nan 8.240 nan 0.000 0.515 315 M N 4.006 123.380 119.600 -0.376 0.000 2.326 315 M HA 0.508 4.988 4.480 -0.000 0.000 0.306 315 M C -0.785 175.484 176.300 -0.051 0.000 1.054 315 M CA -0.603 54.590 55.300 -0.178 0.000 0.922 315 M CB 2.275 34.757 32.600 -0.197 0.000 1.632 315 M HN 0.400 nan 8.290 nan 0.000 0.436 316 I N 4.676 125.368 120.570 0.203 0.000 2.354 316 I HA 0.446 4.616 4.170 -0.000 0.000 0.286 316 I C -0.913 175.465 176.117 0.435 0.000 1.007 316 I CA -0.409 61.115 61.300 0.372 0.000 1.167 316 I CB 0.910 39.133 38.000 0.372 0.000 1.320 316 I HN 0.619 nan 8.210 nan 0.000 0.458 317 I N 5.243 126.031 120.570 0.364 0.000 2.382 317 I HA 0.290 4.460 4.170 -0.000 0.000 0.285 317 I C -0.235 176.066 176.117 0.307 0.000 1.007 317 I CA -0.503 60.995 61.300 0.331 0.000 1.142 317 I CB 1.278 39.410 38.000 0.220 0.000 1.289 317 I HN 0.457 nan 8.210 nan 0.000 0.453 318 D N 4.530 125.118 120.400 0.314 0.000 2.313 318 D HA 0.632 5.271 4.640 -0.000 0.000 0.247 318 D C 0.301 176.716 176.300 0.191 0.000 1.094 318 D CA 0.739 54.885 54.000 0.243 0.000 0.925 318 D CB 1.965 42.895 40.800 0.216 0.000 1.188 318 D HN 0.813 nan 8.370 nan 0.000 0.430 319 G N 1.743 110.636 108.800 0.155 0.000 2.440 319 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.684 319 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.684 319 G C 0.365 175.339 174.900 0.124 0.000 1.309 319 G CA 0.018 45.194 45.100 0.126 0.000 0.931 319 G HN 0.424 nan 8.290 nan 0.000 0.612 320 E N -0.179 120.087 120.200 0.110 0.000 2.170 320 E HA 0.085 4.435 4.350 -0.000 0.000 0.191 320 E C 2.092 178.751 176.600 0.099 0.000 0.981 320 E CA 2.128 58.602 56.400 0.124 0.000 0.830 320 E CB 0.003 29.772 29.700 0.115 0.000 0.775 320 E HN 0.632 nan 8.360 nan 0.000 0.470 321 E N 0.743 120.994 120.200 0.085 0.000 2.072 321 E HA 0.031 4.381 4.350 -0.000 0.000 0.191 321 E C 0.575 177.206 176.600 0.052 0.000 0.985 321 E CA 0.972 57.410 56.400 0.064 0.000 0.801 321 E CB -0.357 29.380 29.700 0.062 0.000 0.750 321 E HN 0.276 nan 8.360 nan 0.000 0.452 322 A N 2.532 125.392 122.820 0.068 0.000 2.524 322 A HA 0.084 4.404 4.320 -0.000 0.000 0.250 322 A C -1.423 176.187 177.584 0.043 0.000 1.078 322 A CA -1.054 51.016 52.037 0.054 0.000 0.761 322 A CB 0.048 19.103 19.000 0.091 0.000 1.012 322 A HN 0.016 nan 8.150 nan 0.000 0.500 323 P HA -0.057 nan 4.420 nan 0.000 0.217 323 P C 0.282 177.615 177.300 0.056 0.000 1.150 323 P CA 1.030 64.136 63.100 0.011 0.000 0.832 323 P CB 0.046 31.733 31.700 -0.021 0.000 0.787 324 V N 0.009 119.976 119.914 0.088 0.000 2.417 324 V HA 0.474 4.594 4.120 -0.000 0.000 0.291 324 V C 1.115 177.327 176.094 0.196 0.000 1.024 324 V CA -0.098 62.303 62.300 0.167 0.000 0.861 324 V CB 1.341 33.290 31.823 0.210 0.000 0.985 324 V HN -0.010 nan 8.190 nan 0.000 0.436 325 A N 4.507 127.474 122.820 0.245 0.000 2.220 325 A HA 0.361 4.681 4.320 -0.000 0.000 0.211 325 A C 0.085 177.892 177.584 0.372 0.000 1.176 325 A CA 0.453 52.653 52.037 0.272 0.000 0.834 325 A CB 0.177 19.323 19.000 0.244 0.000 0.868 325 A HN 0.777 nan 8.150 nan 0.000 0.488 326 Y N -0.263 120.159 120.300 0.204 0.000 2.436 326 Y HA 0.455 5.005 4.550 -0.000 0.000 0.327 326 Y C -0.510 175.459 175.900 0.114 0.000 1.138 326 Y CA -0.310 57.900 58.100 0.184 0.000 1.042 326 Y CB 1.430 40.039 38.460 0.249 0.000 1.302 326 Y HN 0.139 nan 8.280 nan 0.000 0.439 327 T N 3.853 118.077 114.554 -0.550 0.000 2.896 327 T HA 0.860 5.210 4.350 -0.000 0.000 0.297 327 T C -1.648 172.663 174.700 -0.647 0.000 1.108 327 T CA -0.848 60.957 62.100 -0.492 0.000 1.004 327 T CB 1.914 70.481 68.868 -0.502 0.000 1.159 327 T HN 0.623 nan 8.240 nan 0.000 0.499 328 L N 1.025 121.982 121.223 -0.442 0.000 2.409 328 L HA 0.490 4.830 4.340 -0.000 0.000 0.262 328 L C -0.665 176.025 176.870 -0.301 0.000 0.992 328 L CA -1.239 53.398 54.840 -0.339 0.000 0.817 328 L CB 2.250 44.194 42.059 -0.191 0.000 1.350 328 L HN 0.765 nan 8.230 nan 0.000 0.411 329 D N 1.063 121.320 120.400 -0.239 0.000 2.487 329 D HA -0.064 4.576 4.640 -0.000 0.000 0.243 329 D C -0.263 176.055 176.300 0.030 0.000 1.154 329 D CA 0.691 54.630 54.000 -0.101 0.000 0.876 329 D CB 1.093 41.958 40.800 0.108 0.000 1.161 329 D HN 0.500 nan 8.370 nan 0.000 0.478 330 D N 1.885 122.308 120.400 0.038 0.000 2.538 330 D HA 0.078 4.718 4.640 -0.000 0.000 0.231 330 D C -0.416 175.957 176.300 0.122 0.000 1.229 330 D CA -0.198 53.846 54.000 0.075 0.000 0.828 330 D CB 0.372 41.157 40.800 -0.024 0.000 1.035 330 D HN 0.206 nan 8.370 nan 0.000 0.495 331 T N 1.374 116.040 114.554 0.186 0.000 2.940 331 T HA 0.045 4.395 4.350 -0.000 0.000 0.309 331 T C 0.547 175.311 174.700 0.107 0.000 1.056 331 T CA -0.131 62.074 62.100 0.175 0.000 1.137 331 T CB 0.890 69.866 68.868 0.180 0.000 0.976 331 T HN -0.053 nan 8.240 nan 0.000 0.547 332 K N 3.659 124.087 120.400 0.048 0.000 2.380 332 K HA 0.067 4.387 4.320 -0.000 0.000 0.267 332 K C -1.456 175.037 176.600 -0.178 0.000 0.990 332 K CA -1.640 54.580 56.287 -0.113 0.000 0.946 332 K CB 0.241 32.721 32.500 -0.034 0.000 0.937 332 K HN 0.343 nan 8.250 nan 0.000 0.491 333 P HA -0.105 nan 4.420 nan 0.000 0.222 333 P C 0.275 177.509 177.300 -0.109 0.000 1.147 333 P CA 1.222 64.139 63.100 -0.305 0.000 0.790 333 P CB 0.316 31.740 31.700 -0.460 0.000 0.780 334 E N -0.963 119.191 120.200 -0.077 0.000 2.482 334 E HA 0.156 4.506 4.350 -0.000 0.000 0.196 334 E C 1.579 178.173 176.600 -0.011 0.000 1.047 334 E CA 0.893 57.281 56.400 -0.021 0.000 0.869 334 E CB -0.775 28.933 29.700 0.014 0.000 0.836 334 E HN 0.277 nan 8.360 nan 0.000 0.520 335 G N 0.678 109.472 108.800 -0.010 0.000 2.175 335 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.244 335 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.244 335 G C 0.116 175.009 174.900 -0.011 0.000 0.982 335 G CA 0.278 45.368 45.100 -0.017 0.000 0.641 335 G HN 0.380 nan 8.290 nan 0.000 0.527 336 N N -0.797 117.918 118.700 0.025 0.000 2.563 336 N HA 0.548 5.288 4.740 -0.000 0.000 0.288 336 N C 0.435 176.028 175.510 0.139 0.000 1.246 336 N CA -0.986 52.052 53.050 -0.020 0.000 0.946 336 N CB 0.027 38.425 38.487 -0.149 0.000 1.213 336 N HN 0.595 nan 8.380 nan 0.000 0.578 337 Y N -2.639 117.698 120.300 0.061 0.000 3.078 337 Y HA -0.162 4.388 4.550 -0.000 0.000 0.202 337 Y C 0.493 176.523 175.900 0.217 0.000 1.322 337 Y CA 0.285 58.474 58.100 0.149 0.000 1.118 337 Y CB -2.294 36.223 38.460 0.094 0.000 1.343 337 Y HN 0.756 nan 8.280 nan 0.000 0.499 338 A N 0.486 123.463 122.820 0.262 0.000 2.546 338 A HA 0.600 4.920 4.320 -0.000 0.000 0.243 338 A C 0.698 178.519 177.584 0.394 0.000 1.063 338 A CA 0.570 52.772 52.037 0.275 0.000 0.757 338 A CB 0.151 19.241 19.000 0.150 0.000 0.991 338 A HN 1.493 nan 8.150 nan 0.000 0.503 339 A N 2.436 125.491 122.820 0.391 0.000 2.594 339 A HA 0.651 4.971 4.320 -0.000 0.000 0.296 339 A C -0.898 176.688 177.584 0.003 0.000 1.061 339 A CA -0.476 51.605 52.037 0.075 0.000 0.689 339 A CB 0.840 19.568 19.000 -0.453 0.000 1.280 339 A HN 0.779 nan 8.150 nan 0.000 0.406 340 I N 2.770 123.236 120.570 -0.174 0.000 2.378 340 I HA 0.384 4.554 4.170 -0.000 0.000 0.291 340 I C -0.029 175.930 176.117 -0.263 0.000 0.992 340 I CA -0.485 60.571 61.300 -0.406 0.000 1.154 340 I CB 1.807 39.397 38.000 -0.683 0.000 1.315 340 I HN 0.686 nan 8.210 nan 0.000 0.448 341 M N 5.711 125.157 119.600 -0.256 0.000 2.209 341 M HA 0.606 5.086 4.480 -0.000 0.000 0.355 341 M C -0.426 175.730 176.300 -0.240 0.000 1.171 341 M CA -0.228 54.953 55.300 -0.198 0.000 1.069 341 M CB 1.024 33.536 32.600 -0.147 0.000 1.622 341 M HN 0.679 nan 8.290 nan 0.000 0.459 342 G N 4.266 112.970 108.800 -0.159 0.000 2.612 342 G HA2 0.692 4.652 3.960 -0.000 0.000 0.298 342 G HA3 0.692 4.652 3.960 -0.000 0.000 0.298 342 G C -1.995 172.839 174.900 -0.110 0.000 1.336 342 G CA -0.530 44.520 45.100 -0.084 0.000 0.953 342 G HN 0.640 nan 8.290 nan 0.000 0.482 343 F N 0.700 120.791 119.950 0.235 0.000 2.427 343 F HA 0.475 5.002 4.527 -0.000 0.000 0.346 343 F C 0.573 176.481 175.800 0.180 0.000 1.120 343 F CA -0.681 57.458 58.000 0.231 0.000 1.033 343 F CB 2.106 41.268 39.000 0.271 0.000 1.126 343 F HN 0.072 nan 8.300 nan 0.000 0.462 344 I N 5.410 126.181 120.570 0.336 0.000 2.301 344 I HA 0.219 4.389 4.170 -0.000 0.000 0.292 344 I C -0.604 175.607 176.117 0.157 0.000 1.046 344 I CA -0.222 61.197 61.300 0.199 0.000 1.282 344 I CB 0.558 38.642 38.000 0.139 0.000 1.409 344 I HN 0.392 nan 8.210 nan 0.000 0.484 345 L N 6.680 127.963 121.223 0.100 0.000 2.309 345 L HA 0.666 5.006 4.340 -0.000 0.000 0.282 345 L C 1.015 177.866 176.870 -0.031 0.000 1.036 345 L CA -0.093 54.765 54.840 0.030 0.000 0.806 345 L CB 1.424 43.506 42.059 0.038 0.000 1.220 345 L HN 0.902 nan 8.230 nan 0.000 0.429 346 A N 2.184 124.972 122.820 -0.054 0.000 5.308 346 A HA -0.370 3.950 4.320 -0.000 0.000 0.321 346 A C 1.708 179.292 177.584 0.000 0.000 1.849 346 A CA 1.534 53.545 52.037 -0.043 0.000 0.713 346 A CB -1.596 17.377 19.000 -0.044 0.000 1.360 346 A HN 1.075 nan 8.150 nan 0.000 0.384 347 H N 1.120 120.180 119.070 -0.016 0.000 2.456 347 H HA -0.004 4.552 4.556 -0.000 0.000 0.296 347 H C 1.686 177.031 175.328 0.028 0.000 1.079 347 H CA 1.846 57.901 56.048 0.013 0.000 1.322 347 H CB -0.369 29.410 29.762 0.029 0.000 1.388 347 H HN 0.731 nan 8.280 nan 0.000 0.538 348 K N 0.680 120.714 120.400 -0.610 0.000 2.211 348 K HA 0.032 4.352 4.320 -0.000 0.000 0.203 348 K C 2.520 179.047 176.600 -0.121 0.000 1.050 348 K CA 0.951 57.007 56.287 -0.385 0.000 0.945 348 K CB 0.034 32.350 32.500 -0.307 0.000 0.732 348 K HN 0.354 nan 8.250 nan 0.000 0.451 349 A N 1.249 124.034 122.820 -0.058 0.000 1.930 349 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 349 A C 2.039 179.635 177.584 0.018 0.000 1.175 349 A CA 1.212 53.257 52.037 0.013 0.000 0.627 349 A CB -0.229 18.797 19.000 0.043 0.000 0.815 349 A HN 0.103 nan 8.150 nan 0.000 0.443 350 R N -0.078 120.431 120.500 0.015 0.000 2.062 350 R HA -0.072 4.268 4.340 -0.000 0.000 0.231 350 R C 2.334 178.650 176.300 0.027 0.000 1.136 350 R CA 1.841 57.960 56.100 0.032 0.000 0.948 350 R CB -0.331 30.002 30.300 0.055 0.000 0.845 350 R HN 0.608 nan 8.270 nan 0.000 0.430 351 K N 0.513 120.923 120.400 0.016 0.000 2.057 351 K HA -0.100 4.220 4.320 -0.000 0.000 0.207 351 K C 1.570 178.177 176.600 0.011 0.000 1.049 351 K CA 1.352 57.651 56.287 0.021 0.000 0.931 351 K CB 0.003 32.515 32.500 0.020 0.000 0.714 351 K HN 0.168 nan 8.250 nan 0.000 0.440 352 L N 0.223 121.447 121.223 0.001 0.000 2.558 352 L HA 0.111 4.451 4.340 -0.000 0.000 0.225 352 L C 2.248 179.132 176.870 0.022 0.000 1.128 352 L CA 0.250 55.095 54.840 0.009 0.000 0.868 352 L CB -0.043 42.020 42.059 0.006 0.000 1.006 352 L HN 0.186 nan 8.230 nan 0.000 0.454 353 A N 0.439 123.274 122.820 0.025 0.000 2.067 353 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 353 A C 2.384 179.981 177.584 0.022 0.000 1.158 353 A CA 1.154 53.207 52.037 0.028 0.000 0.661 353 A CB -0.487 18.529 19.000 0.027 0.000 0.801 353 A HN 0.356 nan 8.150 nan 0.000 0.452 354 R N -0.596 119.915 120.500 0.019 0.000 2.159 354 R HA -0.010 4.330 4.340 -0.000 0.000 0.237 354 R C 0.210 176.519 176.300 0.015 0.000 1.131 354 R CA 0.529 56.638 56.100 0.015 0.000 0.982 354 R CB -0.383 29.927 30.300 0.015 0.000 0.868 354 R HN 0.508 nan 8.270 nan 0.000 0.453 355 L N 0.404 121.637 121.223 0.016 0.000 2.468 355 L HA 0.185 4.525 4.340 -0.000 0.000 0.254 355 L C 0.805 177.688 176.870 0.021 0.000 1.171 355 L CA -0.593 54.255 54.840 0.014 0.000 0.809 355 L CB 0.999 43.064 42.059 0.010 0.000 1.155 355 L HN 0.163 nan 8.230 nan 0.000 0.473 356 T N -2.829 111.736 114.554 0.018 0.000 2.849 356 T HA 0.126 4.476 4.350 -0.000 0.000 0.284 356 T C 0.900 175.626 174.700 0.043 0.000 1.004 356 T CA -0.647 61.469 62.100 0.026 0.000 1.021 356 T CB 1.241 70.121 68.868 0.019 0.000 1.013 356 T HN 0.644 nan 8.240 nan 0.000 0.527 357 K N 0.252 120.693 120.400 0.068 0.000 2.074 357 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 357 K C 2.020 178.672 176.600 0.087 0.000 1.048 357 K CA 1.739 58.108 56.287 0.135 0.000 0.926 357 K CB -0.087 32.500 32.500 0.144 0.000 0.713 357 K HN 0.654 nan 8.250 nan 0.000 0.444 358 E N 0.684 120.904 120.200 0.033 0.000 2.072 358 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 358 E C 1.901 178.464 176.600 -0.062 0.000 0.985 358 E CA 1.274 57.661 56.400 -0.021 0.000 0.801 358 E CB -0.196 29.500 29.700 -0.007 0.000 0.750 358 E HN 0.478 nan 8.360 nan 0.000 0.452 359 E N 0.712 120.892 120.200 -0.034 0.000 2.077 359 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 359 E C 2.268 178.825 176.600 -0.071 0.000 0.989 359 E CA 0.741 57.115 56.400 -0.043 0.000 0.800 359 E CB -0.045 29.644 29.700 -0.019 0.000 0.746 359 E HN 0.123 nan 8.360 nan 0.000 0.452 360 R N 0.250 120.714 120.500 -0.060 0.000 2.075 360 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 360 R C 2.477 178.632 176.300 -0.241 0.000 1.126 360 R CA 0.864 56.916 56.100 -0.080 0.000 0.963 360 R CB -0.374 29.948 30.300 0.037 0.000 0.858 360 R HN 0.130 nan 8.270 nan 0.000 0.435 361 L N 1.843 122.810 121.223 -0.426 0.000 2.012 361 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 361 L C 2.225 178.879 176.870 -0.360 0.000 1.073 361 L CA 1.933 56.360 54.840 -0.688 0.000 0.748 361 L CB -0.530 41.078 42.059 -0.753 0.000 0.891 361 L HN 0.015 nan 8.230 nan 0.000 0.431 362 K N -0.451 119.815 120.400 -0.223 0.000 2.032 362 K HA -0.242 4.078 4.320 -0.000 0.000 0.209 362 K C 2.190 178.701 176.600 -0.147 0.000 1.048 362 K CA 1.897 58.098 56.287 -0.143 0.000 0.927 362 K CB -0.126 32.319 32.500 -0.092 0.000 0.712 362 K HN 0.366 nan 8.250 nan 0.000 0.441 363 K N 0.199 120.509 120.400 -0.150 0.000 2.063 363 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 363 K C 2.158 178.625 176.600 -0.222 0.000 1.048 363 K CA 1.245 57.447 56.287 -0.142 0.000 0.928 363 K CB -0.141 32.296 32.500 -0.105 0.000 0.713 363 K HN 0.059 nan 8.250 nan 0.000 0.442 364 L N 0.894 121.929 121.223 -0.312 0.000 2.017 364 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 364 L C 2.488 178.933 176.870 -0.707 0.000 1.073 364 L CA 1.542 56.040 54.840 -0.571 0.000 0.745 364 L CB -0.754 41.002 42.059 -0.505 0.000 0.894 364 L HN 0.238 nan 8.230 nan 0.000 0.432 365 C N -0.726 118.369 119.300 -0.342 0.000 2.413 365 C HA -0.172 4.288 4.460 -0.000 0.000 0.276 365 C C 2.653 177.607 174.990 -0.061 0.000 1.248 365 C CA 0.674 59.638 59.018 -0.089 0.000 1.742 365 C CB -0.818 26.923 27.740 0.002 0.000 2.017 365 C HN 0.547 nan 8.230 nan 0.000 0.481 366 E N 0.169 120.305 120.200 -0.107 0.000 2.106 366 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 366 E C 1.992 178.549 176.600 -0.071 0.000 0.984 366 E CA 0.830 57.192 56.400 -0.063 0.000 0.806 366 E CB -0.224 29.441 29.700 -0.058 0.000 0.750 366 E HN 0.529 nan 8.360 nan 0.000 0.458 367 L N 0.236 121.369 121.223 -0.150 0.000 2.017 367 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 367 L C 1.970 178.835 176.870 -0.008 0.000 1.073 367 L CA 1.730 56.494 54.840 -0.127 0.000 0.745 367 L CB -0.492 41.453 42.059 -0.190 0.000 0.894 367 L HN 0.210 nan 8.230 nan 0.000 0.432 368 Y N -0.854 119.427 120.300 -0.033 0.000 2.224 368 Y HA -0.209 4.341 4.550 -0.000 0.000 0.289 368 Y C 2.529 178.435 175.900 0.009 0.000 1.146 368 Y CA 0.241 58.326 58.100 -0.026 0.000 1.182 368 Y CB -0.499 37.983 38.460 0.037 0.000 0.983 368 Y HN 0.378 nan 8.280 nan 0.000 0.524 369 A N 0.751 123.675 122.820 0.174 0.000 1.902 369 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 369 A C 2.102 179.725 177.584 0.066 0.000 1.181 369 A CA 1.755 53.857 52.037 0.109 0.000 0.623 369 A CB -0.442 18.594 19.000 0.059 0.000 0.818 369 A HN 0.381 nan 8.150 nan 0.000 0.443 370 K N -0.606 119.808 120.400 0.022 0.000 2.025 370 K HA -0.033 4.287 4.320 -0.000 0.000 0.207 370 K C 1.906 178.480 176.600 -0.043 0.000 1.049 370 K CA 1.409 57.692 56.287 -0.007 0.000 0.933 370 K CB -0.325 32.150 32.500 -0.042 0.000 0.714 370 K HN 0.308 nan 8.250 nan 0.000 0.438 371 V N 1.716 121.549 119.914 -0.135 0.000 2.379 371 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 371 V C 2.077 178.102 176.094 -0.115 0.000 1.044 371 V CA 1.479 63.654 62.300 -0.208 0.000 1.036 371 V CB -0.336 31.334 31.823 -0.256 0.000 0.664 371 V HN 0.250 nan 8.190 nan 0.000 0.453 372 L N 0.493 121.686 121.223 -0.050 0.000 2.492 372 L HA 0.263 4.603 4.340 -0.000 0.000 0.223 372 L C 1.564 178.542 176.870 0.181 0.000 1.132 372 L CA 0.783 55.623 54.840 -0.000 0.000 0.850 372 L CB -0.695 41.467 42.059 0.173 0.000 0.966 372 L HN 0.555 nan 8.230 nan 0.000 0.454 373 G N 0.694 109.571 108.800 0.128 0.000 2.333 373 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.296 373 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.296 373 G C -0.085 174.902 174.900 0.146 0.000 1.059 373 G CA 0.374 45.556 45.100 0.137 0.000 1.050 373 G HN 0.295 nan 8.290 nan 0.000 0.508 374 S N -0.733 115.038 115.700 0.119 0.000 2.668 374 S HA 0.417 4.887 4.470 -0.000 0.000 0.277 374 S C 1.189 175.751 174.600 -0.063 0.000 1.170 374 S CA -0.765 57.460 58.200 0.042 0.000 0.994 374 S CB 1.518 64.792 63.200 0.124 0.000 1.051 374 S HN 0.299 nan 8.310 nan 0.000 0.484 375 L N 2.069 123.235 121.223 -0.094 0.000 2.265 375 L HA -0.087 4.253 4.340 -0.000 0.000 0.215 375 L C 2.144 178.894 176.870 -0.200 0.000 1.117 375 L CA 1.181 55.959 54.840 -0.103 0.000 0.782 375 L CB -0.335 41.682 42.059 -0.070 0.000 0.914 375 L HN 0.700 nan 8.230 nan 0.000 0.441 376 E N 0.540 120.478 120.200 -0.437 0.000 2.204 376 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 376 E C 2.279 178.495 176.600 -0.640 0.000 0.990 376 E CA 1.009 56.983 56.400 -0.710 0.000 0.821 376 E CB -0.111 28.789 29.700 -1.332 0.000 0.750 376 E HN 0.511 nan 8.360 nan 0.000 0.477 377 A N 0.742 123.275 122.820 -0.478 0.000 2.125 377 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 377 A C 1.939 179.701 177.584 0.295 0.000 1.156 377 A CA 0.819 52.894 52.037 0.064 0.000 0.671 377 A CB -0.350 18.817 19.000 0.278 0.000 0.794 377 A HN 0.170 nan 8.150 nan 0.000 0.459 378 L N -0.497 120.797 121.223 0.119 0.000 2.591 378 L HA 0.066 4.406 4.340 -0.000 0.000 0.228 378 L C 0.220 177.170 176.870 0.134 0.000 1.133 378 L CA 0.200 55.105 54.840 0.109 0.000 0.880 378 L CB -0.007 42.073 42.059 0.034 0.000 1.033 378 L HN 0.224 nan 8.230 nan 0.000 0.450 379 E N 1.224 121.549 120.200 0.208 0.000 3.312 379 E HA 0.270 4.620 4.350 -0.000 0.000 0.215 379 E C -2.280 174.495 176.600 0.291 0.000 1.160 379 E CA -1.647 54.867 56.400 0.190 0.000 1.267 379 E CB 0.428 30.197 29.700 0.115 0.000 1.361 379 E HN 0.136 nan 8.360 nan 0.000 0.433 380 P HA 0.033 nan 4.420 nan 0.000 0.274 380 P C 1.060 178.399 177.300 0.065 0.000 1.231 380 P CA -0.203 62.876 63.100 -0.035 0.000 0.790 380 P CB 1.513 33.126 31.700 -0.145 0.000 0.951 381 V N -2.209 117.761 119.914 0.093 0.000 3.644 381 V HA 0.326 4.446 4.120 -0.000 0.000 0.267 381 V C 0.371 176.599 176.094 0.223 0.000 1.277 381 V CA 0.759 63.147 62.300 0.146 0.000 1.096 381 V CB -1.249 30.662 31.823 0.146 0.000 0.828 381 V HN 0.678 nan 8.190 nan 0.000 0.446 382 H N -1.064 118.074 119.070 0.114 0.000 3.005 382 H HA 0.593 5.149 4.556 -0.000 0.000 0.311 382 H C -2.345 173.188 175.328 0.342 0.000 1.366 382 H CA -0.809 55.325 56.048 0.142 0.000 1.210 382 H CB 1.755 31.499 29.762 -0.031 0.000 1.894 382 H HN 0.153 nan 8.280 nan 0.000 0.520 383 Y N 1.924 121.943 120.300 -0.468 0.000 2.401 383 Y HA 0.491 5.041 4.550 -0.000 0.000 0.330 383 Y C -1.649 174.083 175.900 -0.281 0.000 1.071 383 Y CA -0.631 57.356 58.100 -0.187 0.000 1.049 383 Y CB 1.548 39.936 38.460 -0.120 0.000 1.239 383 Y HN 0.595 nan 8.280 nan 0.000 0.437 384 E N 4.741 124.673 120.200 -0.445 0.000 2.288 384 E HA 0.442 4.792 4.350 -0.000 0.000 0.268 384 E C -1.362 174.871 176.600 -0.611 0.000 0.885 384 E CA -0.791 55.346 56.400 -0.438 0.000 0.767 384 E CB 2.735 32.406 29.700 -0.050 0.000 1.220 384 E HN 0.783 nan 8.360 nan 0.000 0.427 385 E N 0.364 120.301 120.200 -0.439 0.000 2.390 385 E HA 0.647 4.997 4.350 -0.000 0.000 0.280 385 E C -1.300 175.247 176.600 -0.089 0.000 0.992 385 E CA -1.062 55.183 56.400 -0.257 0.000 0.790 385 E CB 2.287 31.801 29.700 -0.311 0.000 1.248 385 E HN 0.161 nan 8.360 nan 0.000 0.447 386 K N 1.536 121.937 120.400 0.002 0.000 2.565 386 K HA 0.317 4.637 4.320 -0.000 0.000 0.249 386 K C -1.684 174.881 176.600 -0.057 0.000 0.958 386 K CA -0.646 55.587 56.287 -0.090 0.000 0.806 386 K CB 1.545 33.961 32.500 -0.141 0.000 1.194 386 K HN 0.497 nan 8.250 nan 0.000 0.434 387 N N 4.254 122.883 118.700 -0.119 0.000 2.437 387 N HA 0.129 4.869 4.740 -0.000 0.000 0.243 387 N C -0.309 175.140 175.510 -0.101 0.000 1.041 387 N CA -0.424 52.615 53.050 -0.019 0.000 0.940 387 N CB 0.324 38.809 38.487 -0.002 0.000 1.133 387 N HN 0.685 nan 8.380 nan 0.000 0.506 388 W N 2.202 123.545 121.300 0.071 0.000 2.595 388 W HA 0.037 4.697 4.660 -0.000 0.000 0.257 388 W C 1.970 178.509 176.519 0.033 0.000 1.267 388 W CA -0.042 57.339 57.345 0.061 0.000 1.300 388 W CB -0.213 29.300 29.460 0.088 0.000 1.120 388 W HN 0.588 nan 8.180 nan 0.000 0.618 389 C N 0.410 119.814 119.300 0.173 0.000 2.432 389 C HA -0.155 4.305 4.460 -0.000 0.000 0.282 389 C C 2.319 177.336 174.990 0.044 0.000 1.388 389 C CA 1.392 60.471 59.018 0.102 0.000 1.777 389 C CB -1.474 26.309 27.740 0.073 0.000 1.882 389 C HN 0.491 nan 8.230 nan 0.000 0.520 390 E N 0.766 120.969 120.200 0.006 0.000 2.489 390 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 390 E C -0.135 176.435 176.600 -0.050 0.000 1.057 390 E CA 0.328 56.709 56.400 -0.032 0.000 0.866 390 E CB -0.170 29.498 29.700 -0.054 0.000 0.916 390 E HN 0.481 nan 8.360 nan 0.000 0.500 391 E N 2.199 122.385 120.200 -0.023 0.000 2.070 391 E HA -0.013 4.337 4.350 -0.000 0.000 0.282 391 E C 0.497 177.077 176.600 -0.033 0.000 1.104 391 E CA 0.005 56.395 56.400 -0.016 0.000 0.876 391 E CB 1.484 31.229 29.700 0.074 0.000 1.055 391 E HN 0.360 nan 8.360 nan 0.000 0.401 392 Q N 2.893 122.615 119.800 -0.130 0.000 2.135 392 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 392 Q C 0.284 176.006 176.000 -0.464 0.000 0.981 392 Q CA 1.653 57.249 55.803 -0.345 0.000 0.856 392 Q CB 0.094 28.511 28.738 -0.534 0.000 0.902 392 Q HN 0.580 nan 8.270 nan 0.000 0.425 393 Y N -1.077 119.251 120.300 0.047 0.000 2.607 393 Y HA 0.296 4.846 4.550 -0.000 0.000 0.266 393 Y C 1.322 177.283 175.900 0.102 0.000 1.178 393 Y CA -0.366 57.772 58.100 0.063 0.000 1.226 393 Y CB 0.909 39.398 38.460 0.049 0.000 1.144 393 Y HN 0.051 nan 8.280 nan 0.000 0.528 394 S N -1.552 114.269 115.700 0.200 0.000 3.148 394 S HA 0.336 4.806 4.470 -0.000 0.000 0.246 394 S C 1.739 176.422 174.600 0.138 0.000 1.041 394 S CA 0.577 58.908 58.200 0.218 0.000 0.813 394 S CB 0.511 63.930 63.200 0.366 0.000 0.813 394 S HN 0.496 nan 8.310 nan 0.000 0.546 395 G N 0.891 109.755 108.800 0.107 0.000 2.195 395 G HA2 0.142 4.102 3.960 -0.000 0.000 0.246 395 G HA3 0.142 4.102 3.960 -0.000 0.000 0.246 395 G C 0.493 175.439 174.900 0.078 0.000 0.984 395 G CA 0.053 45.184 45.100 0.052 0.000 0.633 395 G HN 1.406 nan 8.290 nan 0.000 0.525 396 G N -2.313 106.577 108.800 0.150 0.000 2.362 396 G HA2 0.513 4.473 3.960 -0.000 0.000 0.288 396 G HA3 0.513 4.473 3.960 -0.000 0.000 0.288 396 G C -0.952 174.039 174.900 0.151 0.000 1.305 396 G CA 0.303 45.498 45.100 0.159 0.000 0.910 396 G HN 1.470 nan 8.290 nan 0.000 0.518 397 C N -1.502 117.837 119.300 0.064 0.000 3.285 397 C HA 0.631 5.091 4.460 -0.000 0.000 0.325 397 C C 0.800 175.658 174.990 -0.221 0.000 1.304 397 C CA -0.619 58.364 59.018 -0.059 0.000 1.319 397 C CB 0.865 28.475 27.740 -0.217 0.000 1.640 397 C HN 0.727 nan 8.230 nan 0.000 0.477 398 Y N 0.564 120.810 120.300 -0.090 0.000 2.314 398 Y HA 0.226 4.776 4.550 -0.000 0.000 0.294 398 Y C 1.599 177.474 175.900 -0.043 0.000 1.119 398 Y CA 1.087 59.102 58.100 -0.142 0.000 1.179 398 Y CB -0.421 37.928 38.460 -0.185 0.000 1.025 398 Y HN 0.653 nan 8.280 nan 0.000 0.541 399 T N -1.589 113.070 114.554 0.174 0.000 2.754 399 T HA 0.361 4.711 4.350 -0.000 0.000 0.296 399 T C -0.676 174.140 174.700 0.194 0.000 1.205 399 T CA -0.714 61.523 62.100 0.227 0.000 1.009 399 T CB 1.152 70.249 68.868 0.381 0.000 1.368 399 T HN -0.124 nan 8.240 nan 0.000 0.509 400 T N 2.849 117.525 114.554 0.203 0.000 2.870 400 T HA 0.407 4.757 4.350 -0.000 0.000 0.300 400 T C -0.782 173.947 174.700 0.049 0.000 0.989 400 T CA 0.235 62.365 62.100 0.049 0.000 1.139 400 T CB -0.468 68.434 68.868 0.057 0.000 0.920 400 T HN 0.473 nan 8.240 nan 0.000 0.537 401 Y N 0.838 120.933 120.300 -0.343 0.000 2.509 401 Y HA 0.780 5.330 4.550 -0.000 0.000 0.341 401 Y C -1.305 174.074 175.900 -0.868 0.000 1.038 401 Y CA -2.307 55.237 58.100 -0.927 0.000 1.089 401 Y CB 0.813 38.833 38.460 -0.734 0.000 1.241 401 Y HN 0.391 nan 8.280 nan 0.000 0.468 402 F N 3.517 122.715 119.950 -1.254 0.000 2.388 402 F HA 0.566 5.093 4.527 -0.000 0.000 0.358 402 F C -2.290 173.410 175.800 -0.165 0.000 1.122 402 F CA -2.816 54.829 58.000 -0.591 0.000 1.056 402 F CB 1.377 40.103 39.000 -0.457 0.000 1.155 402 F HN 0.354 nan 8.300 nan 0.000 0.461 403 P HA 0.099 nan 4.420 nan 0.000 0.272 403 P C -2.532 174.862 177.300 0.155 0.000 1.240 403 P CA -1.139 62.031 63.100 0.116 0.000 0.791 403 P CB -0.158 31.559 31.700 0.028 0.000 0.978 404 P HA -0.040 nan 4.420 nan 0.000 0.262 404 P C 0.911 178.298 177.300 0.144 0.000 1.182 404 P CA 1.334 64.532 63.100 0.164 0.000 0.761 404 P CB -0.090 31.689 31.700 0.133 0.000 0.795 405 G N 2.977 111.877 108.800 0.168 0.000 2.254 405 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.225 405 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.225 405 G C 0.769 175.786 174.900 0.195 0.000 1.003 405 G CA 0.056 45.248 45.100 0.152 0.000 0.622 405 G HN 0.424 nan 8.290 nan 0.000 0.507 406 I N 0.380 121.096 120.570 0.244 0.000 2.494 406 I HA 0.211 4.381 4.170 -0.000 0.000 0.250 406 I C 2.612 178.985 176.117 0.428 0.000 1.112 406 I CA 1.146 62.647 61.300 0.334 0.000 1.438 406 I CB -1.226 36.879 38.000 0.175 0.000 1.111 406 I HN 0.265 nan 8.210 nan 0.000 0.431 407 L N 1.253 122.733 121.223 0.427 0.000 2.042 407 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 407 L C 2.647 179.617 176.870 0.166 0.000 1.076 407 L CA 2.577 57.553 54.840 0.227 0.000 0.749 407 L CB -0.953 41.143 42.059 0.061 0.000 0.893 407 L HN 0.434 nan 8.230 nan 0.000 0.432 408 T N -4.294 110.359 114.554 0.165 0.000 2.904 408 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 408 T C 1.791 176.461 174.700 -0.051 0.000 1.059 408 T CA 0.921 63.083 62.100 0.103 0.000 1.137 408 T CB -0.300 68.629 68.868 0.102 0.000 0.879 408 T HN 0.358 nan 8.240 nan 0.000 0.467 409 Q N -0.086 119.684 119.800 -0.050 0.000 2.163 409 Q HA 0.117 4.457 4.340 -0.000 0.000 0.198 409 Q C 1.049 176.718 176.000 -0.553 0.000 0.954 409 Q CA 1.165 56.787 55.803 -0.300 0.000 0.851 409 Q CB 0.009 28.568 28.738 -0.299 0.000 0.928 409 Q HN 0.771 nan 8.270 nan 0.000 0.459 410 Y N -1.720 118.512 120.300 -0.112 0.000 2.499 410 Y HA 0.275 4.825 4.550 -0.000 0.000 0.253 410 Y C 1.996 177.770 175.900 -0.209 0.000 1.105 410 Y CA 0.073 58.087 58.100 -0.144 0.000 1.240 410 Y CB 0.195 38.608 38.460 -0.077 0.000 1.289 410 Y HN 0.078 nan 8.280 nan 0.000 0.534 411 G N 1.697 110.408 108.800 -0.149 0.000 2.442 411 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 411 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 411 G C 1.759 176.171 174.900 -0.815 0.000 1.141 411 G CA 1.141 46.058 45.100 -0.305 0.000 0.763 411 G HN 0.398 nan 8.290 nan 0.000 0.554 412 R N 0.437 120.114 120.500 -1.373 0.000 2.285 412 R HA 0.063 4.403 4.340 -0.000 0.000 0.213 412 R C 1.812 177.878 176.300 -0.389 0.000 1.068 412 R CA 1.115 56.559 56.100 -1.094 0.000 1.004 412 R CB -0.597 29.094 30.300 -1.016 0.000 0.873 412 R HN 0.281 nan 8.270 nan 0.000 0.467 413 V N 1.660 121.397 119.914 -0.294 0.000 2.719 413 V HA -0.132 3.988 4.120 -0.000 0.000 0.252 413 V C 2.450 178.446 176.094 -0.164 0.000 1.065 413 V CA 0.976 63.170 62.300 -0.176 0.000 1.086 413 V CB -0.441 31.307 31.823 -0.125 0.000 0.700 413 V HN 0.189 nan 8.190 nan 0.000 0.467 414 L N 0.810 121.976 121.223 -0.095 0.000 1.997 414 L HA -0.222 4.118 4.340 -0.000 0.000 0.216 414 L C 2.416 179.243 176.870 -0.072 0.000 1.074 414 L CA 2.295 57.100 54.840 -0.058 0.000 0.763 414 L CB -0.407 41.721 42.059 0.116 0.000 0.890 414 L HN 0.447 nan 8.230 nan 0.000 0.434 415 R N -0.556 119.998 120.500 0.090 0.000 2.546 415 R HA 0.162 4.502 4.340 -0.000 0.000 0.320 415 R C 0.490 176.937 176.300 0.244 0.000 1.021 415 R CA -0.222 56.013 56.100 0.226 0.000 1.088 415 R CB -0.080 30.415 30.300 0.324 0.000 1.278 415 R HN 0.227 nan 8.270 nan 0.000 0.557 416 Q N 2.698 122.566 119.800 0.114 0.000 2.286 416 Q HA 0.198 4.538 4.340 -0.000 0.000 0.267 416 Q C -2.124 173.989 176.000 0.187 0.000 1.028 416 Q CA -2.143 53.728 55.803 0.113 0.000 0.901 416 Q CB 0.898 29.646 28.738 0.017 0.000 1.183 416 Q HN 0.038 nan 8.270 nan 0.000 0.392 417 P HA -0.019 nan 4.420 nan 0.000 0.269 417 P C -1.258 176.049 177.300 0.011 0.000 1.209 417 P CA -0.118 62.951 63.100 -0.052 0.000 0.776 417 P CB 0.705 32.117 31.700 -0.480 0.000 0.876 418 V N 3.401 123.338 119.914 0.037 0.000 2.293 418 V HA 0.129 4.249 4.120 -0.000 0.000 0.275 418 V C 0.818 176.875 176.094 -0.061 0.000 1.021 418 V CA 0.128 62.440 62.300 0.018 0.000 0.815 418 V CB 0.173 32.049 31.823 0.088 0.000 1.025 418 V HN 0.757 nan 8.190 nan 0.000 0.448 419 D N 4.307 124.675 120.400 -0.052 0.000 4.435 419 D HA -0.322 4.318 4.640 -0.000 0.000 0.235 419 D C 1.389 177.661 176.300 -0.046 0.000 0.580 419 D CA 2.547 56.529 54.000 -0.030 0.000 1.063 419 D CB -0.197 40.600 40.800 -0.005 0.000 0.562 419 D HN 0.620 nan 8.370 nan 0.000 0.392 420 R N -0.224 120.273 120.500 -0.005 0.000 2.468 420 R HA 0.436 4.776 4.340 -0.000 0.000 0.280 420 R C -0.273 176.083 176.300 0.095 0.000 0.963 420 R CA -0.169 56.014 56.100 0.138 0.000 1.083 420 R CB 0.470 30.816 30.300 0.077 0.000 1.200 420 R HN 0.298 nan 8.270 nan 0.000 0.541 421 I N 1.375 121.862 120.570 -0.139 0.000 2.304 421 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 421 I C -0.510 175.246 176.117 -0.601 0.000 1.018 421 I CA -0.692 60.448 61.300 -0.267 0.000 1.260 421 I CB 0.545 38.377 38.000 -0.281 0.000 1.390 421 I HN -0.074 nan 8.210 nan 0.000 0.475 422 Y N 5.406 125.500 120.300 -0.343 0.000 2.453 422 Y HA 0.527 5.077 4.550 -0.000 0.000 0.326 422 Y C -0.411 175.194 175.900 -0.492 0.000 1.186 422 Y CA -0.592 57.343 58.100 -0.275 0.000 1.200 422 Y CB 1.289 39.688 38.460 -0.101 0.000 1.247 422 Y HN 0.293 nan 8.280 nan 0.000 0.482 423 F N 1.060 121.122 119.950 0.187 0.000 2.427 423 F HA 0.692 5.219 4.527 -0.000 0.000 0.348 423 F C 0.384 176.265 175.800 0.135 0.000 1.125 423 F CA -0.563 57.520 58.000 0.139 0.000 0.989 423 F CB 1.144 40.210 39.000 0.111 0.000 1.165 423 F HN 0.608 nan 8.300 nan 0.000 0.442 424 A N 2.300 125.272 122.820 0.253 0.000 3.687 424 A HA 0.948 5.268 4.320 -0.000 0.000 0.164 424 A C 0.397 178.114 177.584 0.221 0.000 1.564 424 A CA -0.418 51.733 52.037 0.191 0.000 0.896 424 A CB -0.166 18.902 19.000 0.113 0.000 1.731 424 A HN 1.498 nan 8.150 nan 0.000 0.607 425 G N -2.332 106.576 108.800 0.180 0.000 2.767 425 G HA2 0.062 4.022 3.960 -0.000 0.000 0.686 425 G HA3 0.062 4.022 3.960 -0.000 0.000 0.686 425 G C 0.467 175.498 174.900 0.219 0.000 1.213 425 G CA 0.667 45.882 45.100 0.191 0.000 0.803 425 G HN 1.624 nan 8.290 nan 0.000 0.603 426 T N 0.296 114.980 114.554 0.217 0.000 2.849 426 T HA -0.116 4.234 4.350 -0.000 0.000 0.270 426 T C 2.092 176.993 174.700 0.334 0.000 1.066 426 T CA 2.660 64.914 62.100 0.257 0.000 1.130 426 T CB -0.174 68.841 68.868 0.244 0.000 0.864 426 T HN 0.626 nan 8.240 nan 0.000 0.481 427 E N 0.524 120.926 120.200 0.336 0.000 2.265 427 E HA -0.055 4.295 4.350 -0.000 0.000 0.196 427 E C 2.206 179.057 176.600 0.419 0.000 0.996 427 E CA 1.511 58.158 56.400 0.412 0.000 0.832 427 E CB -0.199 29.708 29.700 0.346 0.000 0.756 427 E HN 0.724 nan 8.360 nan 0.000 0.491 428 T N -2.653 112.115 114.554 0.357 0.000 3.086 428 T HA 0.485 4.835 4.350 -0.000 0.000 0.250 428 T C 0.767 175.705 174.700 0.396 0.000 1.074 428 T CA -0.005 62.308 62.100 0.355 0.000 0.988 428 T CB 0.243 69.299 68.868 0.314 0.000 0.988 428 T HN 0.093 nan 8.240 nan 0.000 0.530 429 A N 1.733 124.792 122.820 0.399 0.000 2.313 429 A HA 0.566 4.885 4.320 -0.000 0.000 0.261 429 A C 1.461 179.318 177.584 0.456 0.000 1.090 429 A CA 0.077 52.354 52.037 0.400 0.000 0.807 429 A CB 0.404 19.601 19.000 0.327 0.000 1.055 429 A HN 0.490 nan 8.150 nan 0.000 0.492 430 T N -2.649 112.149 114.554 0.408 0.000 3.040 430 T HA 0.253 4.603 4.350 -0.000 0.000 0.266 430 T C 0.177 174.997 174.700 0.199 0.000 1.005 430 T CA 0.590 62.887 62.100 0.329 0.000 0.906 430 T CB -0.408 68.588 68.868 0.214 0.000 1.082 430 T HN 0.765 nan 8.240 nan 0.000 0.531 431 H N -1.154 117.954 119.070 0.062 0.000 3.096 431 H HA 0.273 4.829 4.556 -0.000 0.000 0.335 431 H C -1.047 174.304 175.328 0.038 0.000 0.990 431 H CA -1.071 54.931 56.048 -0.076 0.000 1.393 431 H CB 0.899 30.663 29.762 0.002 0.000 1.742 431 H HN 0.303 nan 8.280 nan 0.000 0.501 432 W N 2.230 123.310 121.300 -0.366 0.000 4.849 432 W HA -0.250 4.410 4.660 0.000 0.000 0.358 432 W C 0.437 176.893 176.519 -0.105 0.000 1.331 432 W CA 0.963 58.042 57.345 -0.444 0.000 0.844 432 W CB -1.601 27.521 29.460 -0.564 0.000 2.434 432 W HN 0.414 nan 8.180 nan 0.000 1.458 433 S N 0.479 116.228 115.700 0.081 0.000 2.558 433 S HA 0.373 4.842 4.470 -0.000 0.000 0.293 433 S C 1.380 176.208 174.600 0.379 0.000 1.292 433 S CA 1.803 60.165 58.200 0.269 0.000 1.063 433 S CB 0.739 64.162 63.200 0.371 0.000 0.831 433 S HN 1.371 nan 8.310 nan 0.000 0.499 434 G N 3.249 112.335 108.800 0.476 0.000 2.232 434 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.226 434 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.226 434 G C -0.167 174.872 174.900 0.231 0.000 0.996 434 G CA 0.180 45.568 45.100 0.481 0.000 0.626 434 G HN 0.678 nan 8.290 nan 0.000 0.509 435 Y N -0.041 120.374 120.300 0.191 0.000 2.568 435 Y HA 0.706 5.256 4.550 -0.000 0.000 0.327 435 Y C 2.109 178.047 175.900 0.064 0.000 1.163 435 Y CA -0.639 57.519 58.100 0.096 0.000 1.219 435 Y CB 0.753 39.251 38.460 0.063 0.000 1.308 435 Y HN -0.006 nan 8.280 nan 0.000 0.503 436 M N -0.196 119.502 119.600 0.163 0.000 2.149 436 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 436 M C 1.821 178.180 176.300 0.099 0.000 1.064 436 M CA 1.882 57.248 55.300 0.111 0.000 1.102 436 M CB -0.275 32.384 32.600 0.098 0.000 1.369 436 M HN 0.760 nan 8.290 nan 0.000 0.408 437 E N 0.923 121.160 120.200 0.062 0.000 2.049 437 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 437 E C 1.987 178.648 176.600 0.102 0.000 1.007 437 E CA 2.136 58.540 56.400 0.006 0.000 0.809 437 E CB -0.742 28.836 29.700 -0.204 0.000 0.749 437 E HN 0.428 nan 8.360 nan 0.000 0.450 438 G N -0.154 108.758 108.800 0.186 0.000 2.448 438 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 438 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 438 G C 1.662 176.677 174.900 0.192 0.000 1.127 438 G CA 1.038 46.271 45.100 0.221 0.000 0.766 438 G HN 0.472 nan 8.290 nan 0.000 0.552 439 A N 0.231 123.150 122.820 0.165 0.000 1.898 439 A HA 0.108 4.428 4.320 -0.000 0.000 0.216 439 A C 2.593 180.238 177.584 0.102 0.000 1.181 439 A CA 1.736 53.855 52.037 0.136 0.000 0.620 439 A CB -0.542 18.528 19.000 0.117 0.000 0.819 439 A HN 0.242 nan 8.150 nan 0.000 0.442 440 V N 0.220 120.184 119.914 0.084 0.000 2.295 440 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 440 V C 2.529 178.659 176.094 0.059 0.000 1.049 440 V CA 2.205 64.540 62.300 0.058 0.000 1.024 440 V CB -0.818 31.032 31.823 0.045 0.000 0.648 440 V HN 0.735 nan 8.190 nan 0.000 0.447 441 E N 0.542 120.796 120.200 0.090 0.000 2.049 441 E HA -0.284 4.065 4.350 -0.000 0.000 0.198 441 E C 2.237 178.871 176.600 0.057 0.000 1.007 441 E CA 1.812 58.272 56.400 0.100 0.000 0.809 441 E CB -0.189 29.619 29.700 0.180 0.000 0.749 441 E HN 0.547 nan 8.360 nan 0.000 0.450 442 A N 0.696 123.574 122.820 0.097 0.000 1.898 442 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 442 A C 2.442 180.045 177.584 0.032 0.000 1.181 442 A CA 1.711 53.797 52.037 0.083 0.000 0.620 442 A CB -1.102 17.997 19.000 0.164 0.000 0.819 442 A HN 0.454 nan 8.150 nan 0.000 0.442 443 G N -0.400 108.425 108.800 0.042 0.000 2.421 443 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 443 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 443 G C 1.451 176.335 174.900 -0.026 0.000 1.171 443 G CA 1.021 46.133 45.100 0.019 0.000 0.775 443 G HN 0.649 nan 8.290 nan 0.000 0.543 444 E N -0.302 119.877 120.200 -0.035 0.000 2.107 444 E HA -0.043 4.307 4.350 -0.000 0.000 0.191 444 E C 2.530 179.052 176.600 -0.130 0.000 0.982 444 E CA 0.210 56.572 56.400 -0.063 0.000 0.809 444 E CB -0.096 29.582 29.700 -0.037 0.000 0.756 444 E HN 0.305 nan 8.360 nan 0.000 0.459 445 R N 1.104 121.490 120.500 -0.191 0.000 2.073 445 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 445 R C 2.186 178.304 176.300 -0.302 0.000 1.134 445 R CA 1.395 57.268 56.100 -0.378 0.000 0.952 445 R CB -0.231 29.673 30.300 -0.660 0.000 0.850 445 R HN 0.127 nan 8.270 nan 0.000 0.433 446 A N 0.855 123.572 122.820 -0.172 0.000 1.933 446 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 446 A C 2.374 179.851 177.584 -0.178 0.000 1.175 446 A CA 1.610 53.586 52.037 -0.102 0.000 0.628 446 A CB -0.621 18.387 19.000 0.012 0.000 0.814 446 A HN 0.546 nan 8.150 nan 0.000 0.444 447 A N -0.091 122.640 122.820 -0.149 0.000 1.902 447 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 447 A C 2.249 179.710 177.584 -0.204 0.000 1.181 447 A CA 1.573 53.515 52.037 -0.159 0.000 0.623 447 A CB -0.448 18.492 19.000 -0.098 0.000 0.818 447 A HN 0.543 nan 8.150 nan 0.000 0.443 448 R N -0.557 119.826 120.500 -0.195 0.000 2.148 448 R HA -0.056 4.284 4.340 -0.000 0.000 0.223 448 R C 2.006 178.181 176.300 -0.209 0.000 1.088 448 R CA 1.153 57.145 56.100 -0.180 0.000 0.985 448 R CB -0.214 29.987 30.300 -0.166 0.000 0.880 448 R HN 0.677 nan 8.270 nan 0.000 0.451 449 E N 0.676 120.706 120.200 -0.284 0.000 2.077 449 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 449 E C 1.929 178.201 176.600 -0.546 0.000 0.989 449 E CA 1.093 57.304 56.400 -0.315 0.000 0.800 449 E CB -0.047 29.481 29.700 -0.287 0.000 0.746 449 E HN 0.325 nan 8.360 nan 0.000 0.452 450 I N 0.944 121.074 120.570 -0.734 0.000 2.252 450 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 450 I C 2.310 178.107 176.117 -0.532 0.000 1.102 450 I CA 0.829 61.607 61.300 -0.871 0.000 1.385 450 I CB -0.173 37.372 38.000 -0.758 0.000 1.064 450 I HN 0.116 nan 8.210 nan 0.000 0.414 451 L N 0.052 121.089 121.223 -0.310 0.000 2.079 451 L HA -0.290 4.050 4.340 -0.000 0.000 0.210 451 L C 2.720 179.517 176.870 -0.121 0.000 1.081 451 L CA 1.703 56.437 54.840 -0.175 0.000 0.752 451 L CB -0.924 41.069 42.059 -0.111 0.000 0.896 451 L HN 0.392 nan 8.230 nan 0.000 0.433 452 H N 0.029 118.983 119.070 -0.194 0.000 2.363 452 H HA -0.052 4.504 4.556 -0.000 0.000 0.301 452 H C 2.110 177.375 175.328 -0.105 0.000 1.074 452 H CA 1.352 57.328 56.048 -0.119 0.000 1.354 452 H CB 0.088 29.796 29.762 -0.089 0.000 1.397 452 H HN 0.230 nan 8.280 nan 0.000 0.516 453 A N 0.343 122.976 122.820 -0.311 0.000 2.070 453 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 453 A C 2.188 179.674 177.584 -0.163 0.000 1.159 453 A CA 1.509 53.388 52.037 -0.263 0.000 0.656 453 A CB -0.616 18.239 19.000 -0.242 0.000 0.800 453 A HN 0.562 nan 8.150 nan 0.000 0.453 454 M N -1.458 118.030 119.600 -0.188 0.000 2.561 454 M HA 0.154 4.634 4.480 -0.000 0.000 0.238 454 M C 1.370 177.632 176.300 -0.063 0.000 1.131 454 M CA 0.764 56.031 55.300 -0.056 0.000 1.046 454 M CB 0.238 32.810 32.600 -0.046 0.000 1.532 454 M HN 0.600 nan 8.290 nan 0.000 0.497 455 G N 1.033 109.756 108.800 -0.127 0.000 2.148 455 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.254 455 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.254 455 G C 0.894 175.769 174.900 -0.042 0.000 0.981 455 G CA 0.634 45.678 45.100 -0.093 0.000 0.670 455 G HN 0.469 nan 8.290 nan 0.000 0.528 456 K N -0.430 119.945 120.400 -0.041 0.000 2.228 456 K HA 0.286 4.606 4.320 -0.000 0.000 0.202 456 K C 1.327 177.928 176.600 0.001 0.000 1.051 456 K CA 1.355 57.630 56.287 -0.020 0.000 0.960 456 K CB 0.163 32.645 32.500 -0.032 0.000 0.743 456 K HN 0.825 nan 8.250 nan 0.000 0.458 457 I N -2.275 118.311 120.570 0.027 0.000 2.994 457 I HA 0.438 4.608 4.170 -0.000 0.000 0.306 457 I C -3.016 173.187 176.117 0.143 0.000 1.195 457 I CA -3.004 58.330 61.300 0.056 0.000 1.001 457 I CB 2.387 40.405 38.000 0.030 0.000 1.244 457 I HN -0.262 nan 8.210 nan 0.000 0.437 458 P HA 0.132 nan 4.420 nan 0.000 0.276 458 P C 0.240 177.554 177.300 0.023 0.000 1.244 458 P CA -0.078 63.101 63.100 0.132 0.000 0.801 458 P CB 1.205 32.945 31.700 0.066 0.000 1.006 459 E N 0.683 120.800 120.200 -0.139 0.000 2.147 459 E HA -0.288 4.062 4.350 -0.000 0.000 0.199 459 E C 1.096 177.609 176.600 -0.145 0.000 1.005 459 E CA 1.695 57.831 56.400 -0.441 0.000 0.810 459 E CB -0.199 29.313 29.700 -0.312 0.000 0.736 459 E HN 0.416 nan 8.360 nan 0.000 0.460 460 D N 0.420 120.795 120.400 -0.043 0.000 2.221 460 D HA -0.152 4.488 4.640 -0.000 0.000 0.204 460 D C 1.078 177.397 176.300 0.033 0.000 0.982 460 D CA 1.016 55.024 54.000 0.013 0.000 0.857 460 D CB 0.037 40.848 40.800 0.018 0.000 0.934 460 D HN 0.281 nan 8.370 nan 0.000 0.475 461 E N -0.946 119.257 120.200 0.005 0.000 2.474 461 E HA 0.120 4.470 4.350 -0.000 0.000 0.195 461 E C 1.829 178.418 176.600 -0.018 0.000 1.039 461 E CA -0.271 56.135 56.400 0.010 0.000 0.881 461 E CB 0.463 30.166 29.700 0.005 0.000 0.970 461 E HN 0.387 nan 8.360 nan 0.000 0.486 462 I N -0.125 120.420 120.570 -0.041 0.000 2.252 462 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 462 I C 0.485 176.451 176.117 -0.250 0.000 1.102 462 I CA 1.090 62.296 61.300 -0.157 0.000 1.385 462 I CB 0.119 38.013 38.000 -0.178 0.000 1.064 462 I HN 0.100 nan 8.210 nan 0.000 0.414 463 W N 1.799 123.095 121.300 -0.007 0.000 2.314 463 W HA 0.485 5.145 4.660 -0.000 0.000 0.310 463 W C -0.301 176.224 176.519 0.009 0.000 1.075 463 W CA -0.320 57.033 57.345 0.013 0.000 1.253 463 W CB 0.665 30.135 29.460 0.016 0.000 1.238 463 W HN -0.070 nan 8.180 nan 0.000 0.440 464 Q N 2.073 121.986 119.800 0.189 0.000 2.353 464 Q HA 0.392 4.732 4.340 -0.000 0.000 0.268 464 Q C 0.042 176.120 176.000 0.130 0.000 1.045 464 Q CA -0.838 55.038 55.803 0.123 0.000 0.811 464 Q CB 2.398 31.172 28.738 0.060 0.000 1.305 464 Q HN 0.515 nan 8.270 nan 0.000 0.447 465 S N 1.158 116.920 115.700 0.103 0.000 2.603 465 S HA 0.329 4.799 4.470 -0.000 0.000 0.268 465 S C -0.225 174.420 174.600 0.075 0.000 1.317 465 S CA -0.584 57.669 58.200 0.090 0.000 1.012 465 S CB 1.371 64.608 63.200 0.062 0.000 0.926 465 S HN 0.590 nan 8.310 nan 0.000 0.539 466 E N 1.337 121.584 120.200 0.079 0.000 2.176 466 E HA 0.589 4.939 4.350 -0.000 0.000 0.267 466 E C -2.673 173.960 176.600 0.055 0.000 0.893 466 E CA -2.148 54.292 56.400 0.067 0.000 0.761 466 E CB 0.932 30.680 29.700 0.080 0.000 1.133 466 E HN 0.561 nan 8.360 nan 0.000 0.409 467 P HA 0.086 nan 4.420 nan 0.000 0.272 467 P C -0.701 176.620 177.300 0.035 0.000 1.223 467 P CA -0.259 62.861 63.100 0.034 0.000 0.784 467 P CB 0.517 32.232 31.700 0.026 0.000 0.923 468 E N 1.013 121.232 120.200 0.032 0.000 2.384 468 E HA 0.094 4.444 4.350 -0.000 0.000 0.266 468 E C -0.114 176.500 176.600 0.023 0.000 1.012 468 E CA -0.294 56.124 56.400 0.030 0.000 0.901 468 E CB 0.429 30.145 29.700 0.027 0.000 0.967 468 E HN 0.395 nan 8.360 nan 0.000 0.435 469 S N 2.982 118.693 115.700 0.019 0.000 2.537 469 S HA -0.033 4.437 4.470 -0.000 0.000 0.286 469 S C 1.182 175.789 174.600 0.013 0.000 1.299 469 S CA -0.148 58.061 58.200 0.015 0.000 1.067 469 S CB 0.878 64.083 63.200 0.008 0.000 0.864 469 S HN 0.513 nan 8.310 nan 0.000 0.494 470 V N 1.989 121.911 119.914 0.014 0.000 2.719 470 V HA 0.033 4.153 4.120 -0.000 0.000 0.252 470 V C 1.507 177.608 176.094 0.012 0.000 1.065 470 V CA 1.544 63.852 62.300 0.013 0.000 1.086 470 V CB -0.631 31.200 31.823 0.013 0.000 0.700 470 V HN 0.840 nan 8.190 nan 0.000 0.467 471 D N 1.057 121.465 120.400 0.013 0.000 2.249 471 D HA 0.071 4.711 4.640 -0.000 0.000 0.205 471 D C 0.773 177.076 176.300 0.005 0.000 0.962 471 D CA 1.166 55.175 54.000 0.013 0.000 0.860 471 D CB 0.715 41.528 40.800 0.022 0.000 0.955 471 D HN 0.531 nan 8.370 nan 0.000 0.505 472 V N 3.303 123.216 119.914 -0.002 0.000 2.384 472 V HA 0.197 4.317 4.120 -0.000 0.000 0.257 472 V C -2.452 173.636 176.094 -0.011 0.000 0.969 472 V CA -1.283 61.008 62.300 -0.016 0.000 0.910 472 V CB 1.209 33.008 31.823 -0.040 0.000 1.150 472 V HN -0.051 nan 8.190 nan 0.000 0.481 473 P HA 0.436 nan 4.420 nan 0.000 0.277 473 P C -0.333 176.970 177.300 0.005 0.000 1.240 473 P CA 0.020 63.123 63.100 0.005 0.000 0.798 473 P CB 1.586 33.291 31.700 0.007 0.000 0.979 474 A N 2.899 125.728 122.820 0.014 0.000 2.309 474 A HA 0.378 4.698 4.320 -0.000 0.000 0.298 474 A C 0.177 177.771 177.584 0.016 0.000 1.165 474 A CA -0.470 51.579 52.037 0.020 0.000 0.821 474 A CB 0.208 19.230 19.000 0.037 0.000 1.102 474 A HN 0.457 nan 8.150 nan 0.000 0.500 475 Q N 1.810 121.619 119.800 0.015 0.000 2.230 475 Q HA 0.435 4.775 4.340 -0.000 0.000 0.248 475 Q C -2.329 173.680 176.000 0.014 0.000 0.915 475 Q CA -1.755 54.056 55.803 0.013 0.000 0.900 475 Q CB 0.983 29.727 28.738 0.011 0.000 1.229 475 Q HN 0.566 nan 8.270 nan 0.000 0.439 476 P HA 0.235 nan 4.420 nan 0.000 0.276 476 P C -0.418 176.887 177.300 0.009 0.000 1.244 476 P CA -0.474 62.629 63.100 0.006 0.000 0.801 476 P CB 0.735 32.437 31.700 0.002 0.000 1.006 477 I N 1.921 122.491 120.570 0.001 0.000 2.337 477 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 477 I C 1.120 177.236 176.117 -0.002 0.000 1.046 477 I CA 0.098 61.400 61.300 0.003 0.000 1.324 477 I CB -0.189 37.802 38.000 -0.015 0.000 1.409 477 I HN 0.394 nan 8.210 nan 0.000 0.494 478 T N 2.311 116.873 114.554 0.014 0.000 2.895 478 T HA 0.758 5.108 4.350 -0.000 0.000 0.283 478 T C 0.154 174.860 174.700 0.010 0.000 1.014 478 T CA -0.671 61.437 62.100 0.014 0.000 1.037 478 T CB 1.949 70.834 68.868 0.028 0.000 1.006 478 T HN 0.646 nan 8.240 nan 0.000 0.468 479 T N -0.951 113.605 114.554 0.002 0.000 2.924 479 T HA 0.717 5.067 4.350 -0.000 0.000 0.291 479 T C 0.427 175.145 174.700 0.030 0.000 1.045 479 T CA -0.710 61.387 62.100 -0.004 0.000 1.015 479 T CB 1.336 70.175 68.868 -0.048 0.000 1.103 479 T HN 0.976 nan 8.240 nan 0.000 0.496 480 T N -0.546 114.036 114.554 0.047 0.000 2.824 480 T HA 0.406 4.756 4.350 -0.000 0.000 0.277 480 T C 0.816 175.593 174.700 0.129 0.000 0.975 480 T CA -0.811 61.349 62.100 0.101 0.000 0.966 480 T CB 0.497 69.433 68.868 0.113 0.000 1.054 480 T HN 0.517 nan 8.240 nan 0.000 0.533 481 F N 0.365 120.353 119.950 0.063 0.000 2.102 481 F HA 0.064 4.591 4.527 -0.000 0.000 0.298 481 F C 2.011 177.893 175.800 0.137 0.000 1.105 481 F CA 1.286 59.358 58.000 0.121 0.000 1.239 481 F CB -0.535 38.528 39.000 0.105 0.000 0.991 481 F HN 0.477 nan 8.300 nan 0.000 0.474 482 L N 0.196 121.544 121.223 0.207 0.000 2.046 482 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 482 L C 2.399 179.285 176.870 0.027 0.000 1.077 482 L CA 1.765 56.673 54.840 0.114 0.000 0.747 482 L CB -0.722 41.430 42.059 0.156 0.000 0.896 482 L HN 0.144 nan 8.230 nan 0.000 0.432 483 E N -0.431 119.787 120.200 0.030 0.000 2.118 483 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 483 E C 2.363 178.886 176.600 -0.129 0.000 0.992 483 E CA 1.186 57.575 56.400 -0.019 0.000 0.804 483 E CB -0.039 29.649 29.700 -0.019 0.000 0.741 483 E HN 0.371 nan 8.360 nan 0.000 0.458 484 R N -0.643 119.716 120.500 -0.234 0.000 2.090 484 R HA -0.039 4.301 4.340 -0.000 0.000 0.228 484 R C 1.776 177.706 176.300 -0.618 0.000 1.110 484 R CA 0.985 56.810 56.100 -0.459 0.000 0.973 484 R CB 0.125 30.056 30.300 -0.615 0.000 0.869 484 R HN 0.289 nan 8.270 nan 0.000 0.440 485 H N -0.995 117.892 119.070 -0.304 0.000 2.874 485 H HA 0.187 4.743 4.556 -0.000 0.000 0.264 485 H C 0.292 175.522 175.328 -0.164 0.000 1.007 485 H CA -0.207 55.662 56.048 -0.299 0.000 1.207 485 H CB 0.472 29.904 29.762 -0.549 0.000 1.487 485 H HN 0.029 nan 8.280 nan 0.000 0.505 486 L N 4.477 125.688 121.223 -0.020 0.000 2.559 486 L HA 0.011 4.351 4.340 -0.000 0.000 0.282 486 L C -1.675 175.191 176.870 -0.006 0.000 1.232 486 L CA -1.204 53.648 54.840 0.021 0.000 0.885 486 L CB 0.273 42.381 42.059 0.082 0.000 1.131 486 L HN 0.008 nan 8.230 nan 0.000 0.498 487 P HA 0.127 nan 4.420 nan 0.000 0.276 487 P C -0.650 176.620 177.300 -0.049 0.000 1.244 487 P CA -0.623 62.457 63.100 -0.033 0.000 0.801 487 P CB 1.068 32.745 31.700 -0.038 0.000 1.006 488 S N 0.151 115.805 115.700 -0.077 0.000 2.606 488 S HA 0.067 4.537 4.470 -0.000 0.000 0.257 488 S C 1.514 176.003 174.600 -0.185 0.000 1.327 488 S CA -0.507 57.629 58.200 -0.107 0.000 0.984 488 S CB -0.389 62.751 63.200 -0.100 0.000 0.941 488 S HN 0.222 nan 8.310 nan 0.000 0.576 489 V N 2.242 121.984 119.914 -0.287 0.000 2.295 489 V HA -0.062 4.058 4.120 -0.000 0.000 0.246 489 V C -0.427 175.259 176.094 -0.681 0.000 1.049 489 V CA 1.851 63.873 62.300 -0.463 0.000 1.024 489 V CB -1.915 29.605 31.823 -0.505 0.000 0.648 489 V HN 0.809 nan 8.190 nan 0.000 0.447 490 P HA -0.093 nan 4.420 nan 0.000 0.220 490 P C 1.668 178.785 177.300 -0.304 0.000 1.148 490 P CA 1.888 64.589 63.100 -0.666 0.000 0.803 490 P CB -0.222 31.247 31.700 -0.386 0.000 0.782 491 G N 0.398 109.063 108.800 -0.226 0.000 2.421 491 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 491 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 491 G C 1.468 176.299 174.900 -0.116 0.000 1.143 491 G CA 0.313 45.336 45.100 -0.129 0.000 0.784 491 G HN 0.259 nan 8.290 nan 0.000 0.541 492 L N 0.289 121.426 121.223 -0.143 0.000 2.156 492 L HA 0.231 4.571 4.340 -0.000 0.000 0.208 492 L C 2.560 179.361 176.870 -0.115 0.000 1.095 492 L CA 1.097 55.871 54.840 -0.109 0.000 0.770 492 L CB -0.185 41.812 42.059 -0.103 0.000 0.914 492 L HN 0.149 nan 8.230 nan 0.000 0.439 493 L N -0.840 120.279 121.223 -0.174 0.000 2.027 493 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 493 L C 2.706 179.518 176.870 -0.096 0.000 1.074 493 L CA 1.217 55.967 54.840 -0.150 0.000 0.745 493 L CB -0.557 41.364 42.059 -0.231 0.000 0.898 493 L HN 0.197 nan 8.230 nan 0.000 0.433 494 R N -0.205 120.238 120.500 -0.096 0.000 2.193 494 R HA -0.124 4.216 4.340 -0.000 0.000 0.229 494 R C 1.596 177.872 176.300 -0.041 0.000 1.110 494 R CA 0.834 56.901 56.100 -0.055 0.000 0.988 494 R CB -0.104 30.168 30.300 -0.047 0.000 0.871 494 R HN 0.185 nan 8.270 nan 0.000 0.458 495 L N 0.308 121.502 121.223 -0.049 0.000 2.629 495 L HA 0.278 4.618 4.340 -0.000 0.000 0.230 495 L C -0.123 176.729 176.870 -0.030 0.000 1.151 495 L CA 0.648 55.467 54.840 -0.034 0.000 0.924 495 L CB 0.328 42.367 42.059 -0.034 0.000 1.137 495 L HN 0.007 nan 8.230 nan 0.000 0.457 496 I N 0.000 120.550 120.570 -0.033 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.285 61.300 -0.026 0.000 1.566 496 I CB 0.000 37.982 38.000 -0.030 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494