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 3mtj_1_A DATA FIRST_RESID -2 DATA SEQUENCE FQGXKPIHVG LLGLGTVGGG TLTVLRRNAE EITRRAGREI RVVRAAVRNL DATA SEQUENCE DKAEALAGGL PLTTNPFDVV DDPEIDIVVE LIGGLEPARE LVXQAIANGK DATA SEQUENCE HVVTANKHLV AKYGNEIFAA AQAKGVXVTF EAAVAGGIPI IKALREGLTA DATA SEQUENCE NRIEWLAGII NGTSNFILSE XRDKGAAFDD VLKEAQRLGY AEADPTFDIE DATA SEQUENCE GIDAAHKLTI LSAIAFGIPX QFERAYTEGI SQLTREDVRY AEELGYRIKL DATA SEQUENCE LGIARRAENG IELRVHPTLI PERRLIANVD GAXNAVLVKG DAVGPTLYYG DATA SEQUENCE AGAGSEPTAS AVVADLVDVT RLHTADPHHR VPHLAFQPDQ LADTPILPXE DATA SEQUENCE AVRTAYYLRL RAFXRPGVLA DITRILADSS ISIDAXVQKX XXXXXEQVDI DATA SEQUENCE ILLTHVTLEK NVNAAIAKIE ALDAVAGKVX RIRLEDLG 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 -2 F HA 0.000 nan 4.527 nan 0.000 0.279 -2 F C 0.000 175.798 175.800 -0.003 0.000 0.967 -2 F CA 0.000 57.999 58.000 -0.001 0.000 1.383 -2 F CB 0.000 38.999 39.000 -0.001 0.000 1.145 -1 Q N 1.067 121.005 119.800 0.231 0.000 2.368 -1 Q HA 0.623 4.963 4.340 -0.000 0.000 0.237 -1 Q C 0.642 176.698 176.000 0.092 0.000 0.987 -1 Q CA 0.754 56.627 55.803 0.117 0.000 0.896 -1 Q CB 1.119 29.904 28.738 0.077 0.000 1.241 -1 Q HN 1.049 nan 8.270 nan 0.000 0.485 3 P HA 0.350 nan 4.420 nan 0.000 0.269 3 P C -0.120 176.933 177.300 -0.410 0.000 1.209 3 P CA -0.521 62.440 63.100 -0.231 0.000 0.776 3 P CB 0.568 32.124 31.700 -0.239 0.000 0.876 4 I N 2.575 122.975 120.570 -0.282 0.000 2.472 4 I HA 0.145 4.315 4.170 -0.000 0.000 0.290 4 I C 0.041 175.972 176.117 -0.310 0.000 1.016 4 I CA -0.360 60.788 61.300 -0.254 0.000 1.348 4 I CB 0.391 38.328 38.000 -0.105 0.000 1.417 4 I HN 0.385 nan 8.210 nan 0.000 0.521 5 H N 5.167 124.235 119.070 -0.003 0.000 2.504 5 H HA 0.503 5.059 4.556 -0.000 0.000 0.322 5 H C -0.833 174.488 175.328 -0.011 0.000 1.055 5 H CA -0.702 55.344 56.048 -0.004 0.000 1.231 5 H CB 1.422 31.185 29.762 0.002 0.000 1.417 5 H HN 0.244 nan 8.280 nan 0.000 0.472 6 V N 2.880 122.855 119.914 0.103 0.000 2.513 6 V HA 0.632 4.752 4.120 -0.000 0.000 0.299 6 V C 0.595 176.713 176.094 0.040 0.000 1.035 6 V CA -0.702 61.627 62.300 0.048 0.000 0.889 6 V CB 1.907 33.742 31.823 0.020 0.000 0.988 6 V HN 0.946 nan 8.190 nan 0.000 0.440 7 G N 3.700 112.513 108.800 0.022 0.000 2.495 7 G HA2 0.710 4.670 3.960 -0.000 0.000 0.318 7 G HA3 0.710 4.670 3.960 -0.000 0.000 0.318 7 G C -1.244 173.653 174.900 -0.005 0.000 1.257 7 G CA -0.680 44.425 45.100 0.007 0.000 0.962 7 G HN 0.535 nan 8.290 nan 0.000 0.483 8 L N 1.526 122.741 121.223 -0.012 0.000 2.317 8 L HA 0.497 4.836 4.340 -0.000 0.000 0.281 8 L C -0.397 176.452 176.870 -0.035 0.000 1.024 8 L CA -0.736 54.092 54.840 -0.020 0.000 0.810 8 L CB 1.822 43.871 42.059 -0.017 0.000 1.240 8 L HN 0.246 nan 8.230 nan 0.000 0.427 9 L N 2.630 123.828 121.223 -0.042 0.000 2.280 9 L HA 0.679 5.019 4.340 -0.000 0.000 0.287 9 L C 0.555 177.396 176.870 -0.049 0.000 1.023 9 L CA -0.420 54.384 54.840 -0.060 0.000 0.819 9 L CB 1.320 43.333 42.059 -0.078 0.000 1.212 9 L HN 0.881 nan 8.230 nan 0.000 0.420 10 G N 1.882 110.652 108.800 -0.049 0.000 2.733 10 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.686 10 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.686 10 G C -0.689 174.193 174.900 -0.030 0.000 1.373 10 G CA -0.007 45.070 45.100 -0.039 0.000 0.838 10 G HN 0.560 nan 8.290 nan 0.000 0.588 11 L N 1.697 122.904 121.223 -0.027 0.000 3.534 11 L HA 0.793 5.133 4.340 -0.000 0.000 0.174 11 L C 2.106 178.963 176.870 -0.021 0.000 1.215 11 L CA 2.519 57.345 54.840 -0.022 0.000 0.857 11 L CB -0.232 41.814 42.059 -0.021 0.000 1.502 11 L HN 2.905 nan 8.230 nan 0.000 0.614 12 G N -0.398 108.389 108.800 -0.023 0.000 2.633 12 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.263 12 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.263 12 G C 0.700 175.587 174.900 -0.022 0.000 1.310 12 G CA 0.346 45.432 45.100 -0.023 0.000 0.914 12 G HN 0.510 nan 8.290 nan 0.000 0.569 13 T N -0.229 114.310 114.554 -0.024 0.000 2.684 13 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 13 T C 2.612 177.301 174.700 -0.020 0.000 1.036 13 T CA 2.629 64.714 62.100 -0.025 0.000 1.148 13 T CB -0.363 68.487 68.868 -0.030 0.000 0.863 13 T HN 0.667 nan 8.240 nan 0.000 0.436 14 V N 1.016 120.920 119.914 -0.016 0.000 2.358 14 V HA -0.045 4.074 4.120 -0.000 0.000 0.246 14 V C 2.838 178.925 176.094 -0.012 0.000 1.047 14 V CA 1.860 64.153 62.300 -0.012 0.000 1.035 14 V CB -1.379 30.440 31.823 -0.006 0.000 0.658 14 V HN 0.581 nan 8.190 nan 0.000 0.452 15 G N 0.366 109.158 108.800 -0.013 0.000 2.459 15 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 15 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 15 G C 1.662 176.554 174.900 -0.013 0.000 1.183 15 G CA 1.055 46.147 45.100 -0.013 0.000 0.776 15 G HN 0.574 nan 8.290 nan 0.000 0.552 16 G N 0.920 109.712 108.800 -0.015 0.000 2.491 16 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.218 16 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.218 16 G C 1.848 176.740 174.900 -0.013 0.000 1.180 16 G CA 1.498 46.589 45.100 -0.015 0.000 0.774 16 G HN 0.659 nan 8.290 nan 0.000 0.562 17 G N 0.237 109.029 108.800 -0.014 0.000 2.513 17 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 17 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 17 G C 1.869 176.762 174.900 -0.011 0.000 1.160 17 G CA 1.920 47.012 45.100 -0.013 0.000 0.767 17 G HN 0.408 nan 8.290 nan 0.000 0.571 18 T N 1.407 115.955 114.554 -0.011 0.000 2.746 18 T HA -0.059 4.290 4.350 -0.000 0.000 0.267 18 T C 2.445 177.140 174.700 -0.009 0.000 1.039 18 T CA 1.177 63.271 62.100 -0.010 0.000 1.142 18 T CB -0.232 68.630 68.868 -0.009 0.000 0.866 18 T HN 0.196 nan 8.240 nan 0.000 0.444 19 L N 0.628 121.846 121.223 -0.009 0.000 2.017 19 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 19 L C 2.971 179.836 176.870 -0.008 0.000 1.073 19 L CA 1.306 56.142 54.840 -0.007 0.000 0.745 19 L CB -1.369 40.686 42.059 -0.007 0.000 0.894 19 L HN 0.254 nan 8.230 nan 0.000 0.432 20 T N -0.256 114.292 114.554 -0.009 0.000 2.684 20 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 20 T C 2.002 176.697 174.700 -0.009 0.000 1.036 20 T CA 1.548 63.643 62.100 -0.009 0.000 1.148 20 T CB -0.258 68.604 68.868 -0.010 0.000 0.863 20 T HN 0.067 nan 8.240 nan 0.000 0.436 21 V N 1.205 121.114 119.914 -0.010 0.000 2.358 21 V HA -0.078 4.042 4.120 -0.000 0.000 0.246 21 V C 2.484 178.571 176.094 -0.011 0.000 1.047 21 V CA 1.315 63.609 62.300 -0.010 0.000 1.035 21 V CB -0.666 31.150 31.823 -0.011 0.000 0.658 21 V HN 0.411 nan 8.190 nan 0.000 0.452 22 L N 0.056 121.273 121.223 -0.011 0.000 2.042 22 L HA -0.254 4.085 4.340 -0.000 0.000 0.210 22 L C 3.121 179.985 176.870 -0.010 0.000 1.076 22 L CA 2.307 57.140 54.840 -0.011 0.000 0.749 22 L CB -0.791 41.262 42.059 -0.010 0.000 0.893 22 L HN 0.414 nan 8.230 nan 0.000 0.432 23 R N 0.274 120.769 120.500 -0.008 0.000 2.062 23 R HA -0.152 4.188 4.340 -0.000 0.000 0.231 23 R C 2.212 178.507 176.300 -0.008 0.000 1.136 23 R CA 1.695 57.791 56.100 -0.007 0.000 0.948 23 R CB -1.261 29.035 30.300 -0.006 0.000 0.845 23 R HN 0.355 nan 8.270 nan 0.000 0.430 24 R N 0.126 120.621 120.500 -0.008 0.000 2.096 24 R HA -0.035 4.304 4.340 -0.000 0.000 0.235 24 R C 0.859 177.154 176.300 -0.009 0.000 1.127 24 R CA 1.950 58.045 56.100 -0.008 0.000 0.968 24 R CB -0.188 30.107 30.300 -0.008 0.000 0.861 24 R HN 0.555 nan 8.270 nan 0.000 0.440 25 N N -0.401 118.293 118.700 -0.010 0.000 2.235 25 N HA 0.154 4.894 4.740 -0.000 0.000 0.209 25 N C 0.764 176.265 175.510 -0.013 0.000 1.122 25 N CA 0.332 53.376 53.050 -0.012 0.000 0.845 25 N CB 0.906 39.386 38.487 -0.012 0.000 1.004 25 N HN 0.236 nan 8.380 nan 0.000 0.499 26 A N 1.221 124.033 122.820 -0.013 0.000 1.929 26 A HA -0.356 3.964 4.320 -0.000 0.000 0.221 26 A C 2.049 179.623 177.584 -0.017 0.000 1.211 26 A CA 2.098 54.126 52.037 -0.015 0.000 0.657 26 A CB -0.601 18.391 19.000 -0.012 0.000 0.827 26 A HN 0.576 nan 8.150 nan 0.000 0.462 27 E N -0.502 119.689 120.200 -0.015 0.000 2.023 27 E HA -0.285 4.065 4.350 -0.000 0.000 0.196 27 E C 2.112 178.701 176.600 -0.018 0.000 1.003 27 E CA 1.547 57.937 56.400 -0.017 0.000 0.809 27 E CB -0.310 29.381 29.700 -0.015 0.000 0.755 27 E HN 0.770 nan 8.360 nan 0.000 0.449 28 E N 0.280 120.470 120.200 -0.017 0.000 2.077 28 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 28 E C 2.218 178.805 176.600 -0.021 0.000 0.989 28 E CA 1.441 57.830 56.400 -0.018 0.000 0.800 28 E CB -0.178 29.513 29.700 -0.015 0.000 0.746 28 E HN 0.420 nan 8.360 nan 0.000 0.452 29 I N 0.717 121.274 120.570 -0.022 0.000 2.179 29 I HA -0.271 3.898 4.170 -0.000 0.000 0.242 29 I C 2.486 178.586 176.117 -0.028 0.000 1.088 29 I CA 1.573 62.857 61.300 -0.025 0.000 1.357 29 I CB -0.456 37.530 38.000 -0.024 0.000 1.051 29 I HN 0.179 nan 8.210 nan 0.000 0.409 30 T N 0.402 114.940 114.554 -0.026 0.000 2.708 30 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 30 T C 2.008 176.691 174.700 -0.028 0.000 1.037 30 T CA 1.267 63.350 62.100 -0.028 0.000 1.146 30 T CB -0.255 68.597 68.868 -0.026 0.000 0.865 30 T HN 0.275 nan 8.240 nan 0.000 0.435 31 R N 0.522 121.007 120.500 -0.025 0.000 2.094 31 R HA -0.126 4.214 4.340 -0.000 0.000 0.239 31 R C 2.687 178.972 176.300 -0.026 0.000 1.137 31 R CA 1.801 57.886 56.100 -0.025 0.000 0.943 31 R CB -0.248 30.038 30.300 -0.022 0.000 0.850 31 R HN 0.165 nan 8.270 nan 0.000 0.433 32 R N 0.670 121.154 120.500 -0.027 0.000 2.073 32 R HA 0.005 4.345 4.340 -0.000 0.000 0.229 32 R C 2.004 178.283 176.300 -0.036 0.000 1.120 32 R CA 1.661 57.743 56.100 -0.031 0.000 0.967 32 R CB -0.491 29.791 30.300 -0.031 0.000 0.862 32 R HN 0.234 nan 8.270 nan 0.000 0.436 33 A N -0.822 121.976 122.820 -0.037 0.000 2.015 33 A HA 0.151 4.471 4.320 -0.000 0.000 0.219 33 A C 1.805 179.369 177.584 -0.035 0.000 1.163 33 A CA 1.359 53.372 52.037 -0.040 0.000 0.646 33 A CB -0.780 18.196 19.000 -0.040 0.000 0.806 33 A HN 0.659 nan 8.150 nan 0.000 0.448 34 G N -1.234 107.548 108.800 -0.030 0.000 2.176 34 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.253 34 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.253 34 G C 0.222 175.109 174.900 -0.022 0.000 0.979 34 G CA 0.705 45.791 45.100 -0.024 0.000 0.641 34 G HN 1.399 nan 8.290 nan 0.000 0.530 35 R N -0.840 119.644 120.500 -0.027 0.000 2.728 35 R HA 0.593 4.932 4.340 -0.000 0.000 0.274 35 R C -0.871 175.406 176.300 -0.038 0.000 1.032 35 R CA -0.832 55.251 56.100 -0.029 0.000 0.866 35 R CB 0.768 31.052 30.300 -0.026 0.000 1.263 35 R HN 0.189 nan 8.270 nan 0.000 0.475 36 E N 1.478 121.651 120.200 -0.044 0.000 2.392 36 E HA 0.164 4.514 4.350 -0.000 0.000 0.264 36 E C -0.671 175.892 176.600 -0.062 0.000 1.024 36 E CA -0.264 56.109 56.400 -0.046 0.000 0.903 36 E CB 0.714 30.390 29.700 -0.039 0.000 0.963 36 E HN 0.374 nan 8.360 nan 0.000 0.432 37 I N 3.334 123.875 120.570 -0.048 0.000 2.354 37 I HA 0.342 4.512 4.170 -0.000 0.000 0.286 37 I C 0.204 176.303 176.117 -0.029 0.000 1.007 37 I CA -0.236 61.035 61.300 -0.048 0.000 1.167 37 I CB 1.365 39.342 38.000 -0.039 0.000 1.320 37 I HN 0.476 nan 8.210 nan 0.000 0.458 38 R N 5.479 125.965 120.500 -0.024 0.000 2.409 38 R HA 0.684 5.024 4.340 -0.000 0.000 0.313 38 R C -1.134 175.203 176.300 0.061 0.000 0.953 38 R CA -0.565 55.551 56.100 0.026 0.000 0.849 38 R CB 1.182 31.518 30.300 0.060 0.000 1.171 38 R HN 0.431 nan 8.270 nan 0.000 0.458 39 V N 3.606 123.544 119.914 0.042 0.000 2.455 39 V HA 0.103 4.223 4.120 -0.000 0.000 0.273 39 V C 1.323 177.444 176.094 0.045 0.000 1.045 39 V CA -0.134 62.189 62.300 0.038 0.000 0.976 39 V CB 1.256 33.088 31.823 0.016 0.000 0.993 39 V HN 0.734 nan 8.190 nan 0.000 0.475 40 V N 5.329 125.271 119.914 0.047 0.000 2.500 40 V HA 0.152 4.271 4.120 -0.000 0.000 0.243 40 V C 0.801 176.897 176.094 0.004 0.000 1.039 40 V CA 1.410 63.724 62.300 0.024 0.000 1.053 40 V CB -0.298 31.527 31.823 0.003 0.000 0.695 40 V HN 1.052 nan 8.190 nan 0.000 0.463 41 R N -0.658 119.843 120.500 0.002 0.000 2.741 41 R HA 0.711 5.050 4.340 -0.000 0.000 0.276 41 R C -1.636 174.658 176.300 -0.010 0.000 1.028 41 R CA -0.306 55.791 56.100 -0.006 0.000 0.865 41 R CB 1.614 31.907 30.300 -0.011 0.000 1.268 41 R HN 0.023 nan 8.270 nan 0.000 0.475 42 A N 0.841 123.652 122.820 -0.015 0.000 2.356 42 A HA 0.802 5.122 4.320 -0.000 0.000 0.310 42 A C -0.721 176.846 177.584 -0.028 0.000 1.075 42 A CA -0.426 51.598 52.037 -0.021 0.000 0.746 42 A CB 1.740 20.729 19.000 -0.019 0.000 1.221 42 A HN 0.935 nan 8.150 nan 0.000 0.443 43 A N 1.886 124.683 122.820 -0.039 0.000 2.309 43 A HA 0.601 4.921 4.320 -0.000 0.000 0.290 43 A C 0.195 177.749 177.584 -0.050 0.000 1.206 43 A CA 0.097 52.104 52.037 -0.050 0.000 0.850 43 A CB -0.254 18.700 19.000 -0.077 0.000 1.118 43 A HN 2.151 nan 8.150 nan 0.000 0.523 44 V N 1.023 120.911 119.914 -0.042 0.000 2.962 44 V HA 0.564 4.683 4.120 -0.000 0.000 0.313 44 V C 0.740 176.812 176.094 -0.037 0.000 1.099 44 V CA -0.892 61.385 62.300 -0.039 0.000 0.971 44 V CB 1.746 33.551 31.823 -0.030 0.000 1.028 44 V HN 0.925 nan 8.190 nan 0.000 0.430 45 R N 0.949 121.427 120.500 -0.037 0.000 2.062 45 R HA 0.119 4.459 4.340 -0.000 0.000 0.226 45 R C 0.570 176.854 176.300 -0.025 0.000 1.125 45 R CA 1.161 57.242 56.100 -0.032 0.000 0.966 45 R CB 0.024 30.304 30.300 -0.033 0.000 0.861 45 R HN 0.809 nan 8.270 nan 0.000 0.433 46 N N 0.945 119.631 118.700 -0.025 0.000 2.469 46 N HA 0.097 4.837 4.740 -0.000 0.000 0.253 46 N C 0.612 176.110 175.510 -0.020 0.000 0.970 46 N CA -0.017 53.020 53.050 -0.021 0.000 0.940 46 N CB 1.265 39.739 38.487 -0.021 0.000 1.128 46 N HN 0.033 nan 8.380 nan 0.000 0.503 47 L N 1.886 123.098 121.223 -0.017 0.000 2.109 47 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 47 L C 1.099 177.960 176.870 -0.015 0.000 1.086 47 L CA 0.923 55.753 54.840 -0.016 0.000 0.760 47 L CB 0.009 42.060 42.059 -0.013 0.000 0.910 47 L HN 0.463 nan 8.230 nan 0.000 0.437 48 D N 0.443 120.835 120.400 -0.014 0.000 2.084 48 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 48 D C 2.418 178.709 176.300 -0.015 0.000 0.985 48 D CA 1.791 55.782 54.000 -0.014 0.000 0.826 48 D CB -0.105 40.687 40.800 -0.013 0.000 0.978 48 D HN 0.189 nan 8.370 nan 0.000 0.456 49 K N 0.952 121.342 120.400 -0.017 0.000 2.209 49 K HA 0.096 4.416 4.320 -0.000 0.000 0.204 49 K C 2.078 178.667 176.600 -0.019 0.000 1.048 49 K CA 1.509 57.785 56.287 -0.019 0.000 0.940 49 K CB -0.876 31.611 32.500 -0.021 0.000 0.729 49 K HN 0.237 nan 8.250 nan 0.000 0.451 50 A N 0.702 123.510 122.820 -0.019 0.000 2.016 50 A HA 0.198 4.518 4.320 -0.000 0.000 0.217 50 A C 2.467 180.042 177.584 -0.017 0.000 1.162 50 A CA 1.676 53.701 52.037 -0.019 0.000 0.662 50 A CB -0.633 18.355 19.000 -0.020 0.000 0.812 50 A HN 0.711 nan 8.150 nan 0.000 0.450 51 E N -0.004 120.187 120.200 -0.015 0.000 2.070 51 E HA -0.107 4.243 4.350 -0.000 0.000 0.197 51 E C 2.257 178.849 176.600 -0.013 0.000 1.004 51 E CA 2.123 58.515 56.400 -0.013 0.000 0.805 51 E CB -1.237 28.456 29.700 -0.012 0.000 0.744 51 E HN 1.063 nan 8.360 nan 0.000 0.451 52 A N -0.292 122.520 122.820 -0.015 0.000 2.024 52 A HA 0.145 4.465 4.320 -0.000 0.000 0.220 52 A C 2.328 179.902 177.584 -0.015 0.000 1.164 52 A CA 1.493 53.521 52.037 -0.015 0.000 0.643 52 A CB -0.187 18.803 19.000 -0.017 0.000 0.806 52 A HN 0.465 nan 8.150 nan 0.000 0.451 53 L N -1.933 119.280 121.223 -0.016 0.000 2.616 53 L HA 0.215 4.555 4.340 -0.000 0.000 0.229 53 L C 2.395 179.257 176.870 -0.014 0.000 1.110 53 L CA 0.535 55.365 54.840 -0.016 0.000 0.884 53 L CB 0.149 42.197 42.059 -0.019 0.000 1.115 53 L HN 0.338 nan 8.230 nan 0.000 0.481 54 A N -0.277 122.535 122.820 -0.013 0.000 2.095 54 A HA 0.314 4.634 4.320 -0.000 0.000 0.212 54 A C 1.756 179.335 177.584 -0.009 0.000 1.162 54 A CA 0.621 52.651 52.037 -0.012 0.000 0.753 54 A CB -0.308 18.685 19.000 -0.012 0.000 0.840 54 A HN 0.368 nan 8.150 nan 0.000 0.468 55 G N -0.961 107.834 108.800 -0.009 0.000 2.356 55 G HA2 0.129 4.089 3.960 -0.000 0.000 0.296 55 G HA3 0.129 4.089 3.960 -0.000 0.000 0.296 55 G C 1.437 176.333 174.900 -0.006 0.000 1.022 55 G CA 0.955 46.050 45.100 -0.008 0.000 0.961 55 G HN 2.049 nan 8.290 nan 0.000 0.510 56 G N -2.122 106.674 108.800 -0.007 0.000 2.159 56 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.256 56 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.256 56 G C 0.542 175.439 174.900 -0.005 0.000 0.977 56 G CA 0.613 45.710 45.100 -0.006 0.000 0.652 56 G HN 1.843 nan 8.290 nan 0.000 0.531 57 L N 1.841 123.060 121.223 -0.005 0.000 2.453 57 L HA 0.570 4.910 4.340 -0.000 0.000 0.272 57 L C -1.510 175.356 176.870 -0.007 0.000 1.182 57 L CA -1.315 53.523 54.840 -0.005 0.000 0.858 57 L CB 0.254 42.310 42.059 -0.005 0.000 1.120 57 L HN -0.034 nan 8.230 nan 0.000 0.474 58 P HA 0.162 nan 4.420 nan 0.000 0.266 58 P C -1.146 176.148 177.300 -0.010 0.000 1.195 58 P CA 0.277 63.372 63.100 -0.008 0.000 0.768 58 P CB 0.458 32.153 31.700 -0.009 0.000 0.838 59 L N 1.700 122.916 121.223 -0.011 0.000 2.354 59 L HA 0.762 5.102 4.340 -0.000 0.000 0.264 59 L C 0.311 177.173 176.870 -0.013 0.000 1.008 59 L CA -0.498 54.334 54.840 -0.014 0.000 0.819 59 L CB 2.485 44.536 42.059 -0.014 0.000 1.339 59 L HN 0.307 nan 8.230 nan 0.000 0.420 60 T N -1.817 112.727 114.554 -0.016 0.000 2.894 60 T HA 0.325 4.675 4.350 -0.000 0.000 0.309 60 T C 0.420 175.108 174.700 -0.020 0.000 1.208 60 T CA 0.033 62.125 62.100 -0.013 0.000 1.016 60 T CB 1.661 70.523 68.868 -0.009 0.000 1.192 60 T HN 0.756 nan 8.240 nan 0.000 0.491 61 T N 0.353 114.898 114.554 -0.015 0.000 3.086 61 T HA 0.254 4.604 4.350 -0.000 0.000 0.250 61 T C 0.585 175.272 174.700 -0.023 0.000 1.074 61 T CA -0.208 61.880 62.100 -0.021 0.000 0.988 61 T CB -0.170 68.690 68.868 -0.013 0.000 0.988 61 T HN 0.449 nan 8.240 nan 0.000 0.530 62 N N 2.699 121.392 118.700 -0.011 0.000 2.457 62 N HA 0.275 5.015 4.740 -0.000 0.000 0.250 62 N C -1.988 173.494 175.510 -0.048 0.000 0.982 62 N CA -2.427 50.626 53.050 0.004 0.000 0.941 62 N CB 2.180 40.704 38.487 0.062 0.000 1.120 62 N HN -0.003 nan 8.380 nan 0.000 0.505 63 P HA -0.027 nan 4.420 nan 0.000 0.226 63 P C 0.917 178.040 177.300 -0.295 0.000 1.153 63 P CA 0.745 63.681 63.100 -0.272 0.000 0.777 63 P CB 0.003 31.458 31.700 -0.409 0.000 0.794 64 F N 0.955 120.892 119.950 -0.022 0.000 2.451 64 F HA -0.056 4.471 4.527 -0.000 0.000 0.299 64 F C 1.670 177.458 175.800 -0.020 0.000 1.101 64 F CA 0.911 58.898 58.000 -0.022 0.000 1.436 64 F CB -1.220 37.767 39.000 -0.022 0.000 1.074 64 F HN -0.093 nan 8.300 nan 0.000 0.553 65 D N -0.389 120.074 120.400 0.105 0.000 2.350 65 D HA -0.078 4.562 4.640 -0.000 0.000 0.216 65 D C 2.229 178.545 176.300 0.026 0.000 0.968 65 D CA 0.730 54.763 54.000 0.054 0.000 0.894 65 D CB -0.019 40.797 40.800 0.027 0.000 0.909 65 D HN 0.172 nan 8.370 nan 0.000 0.520 66 V N -0.031 119.890 119.914 0.011 0.000 2.721 66 V HA -0.074 4.045 4.120 -0.000 0.000 0.236 66 V C 2.377 178.478 176.094 0.011 0.000 1.116 66 V CA 0.854 63.151 62.300 -0.004 0.000 1.148 66 V CB 0.175 31.978 31.823 -0.034 0.000 0.886 66 V HN 0.131 nan 8.190 nan 0.000 0.490 67 V N -1.757 118.165 119.914 0.013 0.000 3.041 67 V HA -0.018 4.102 4.120 -0.000 0.000 0.260 67 V C 1.288 177.438 176.094 0.093 0.000 1.105 67 V CA 1.952 64.276 62.300 0.040 0.000 1.125 67 V CB -0.553 31.282 31.823 0.020 0.000 0.730 67 V HN 0.490 nan 8.190 nan 0.000 0.479 68 D N -0.160 120.315 120.400 0.126 0.000 2.398 68 D HA 0.152 4.792 4.640 -0.000 0.000 0.210 68 D C 0.425 176.755 176.300 0.050 0.000 1.094 68 D CA 0.244 54.301 54.000 0.095 0.000 0.839 68 D CB 0.002 40.868 40.800 0.109 0.000 0.963 68 D HN 0.521 nan 8.370 nan 0.000 0.506 69 D N 1.221 121.646 120.400 0.040 0.000 2.346 69 D HA 0.042 4.682 4.640 -0.000 0.000 0.260 69 D C -1.615 174.692 176.300 0.013 0.000 1.252 69 D CA -1.830 52.181 54.000 0.018 0.000 0.895 69 D CB 1.750 42.554 40.800 0.007 0.000 1.097 69 D HN -0.089 nan 8.370 nan 0.000 0.489 70 P HA -0.098 nan 4.420 nan 0.000 0.219 70 P C 0.993 178.305 177.300 0.021 0.000 1.146 70 P CA 1.456 64.565 63.100 0.015 0.000 0.808 70 P CB 0.163 31.871 31.700 0.013 0.000 0.779 71 E N -0.144 120.060 120.200 0.007 0.000 2.347 71 E HA -0.045 4.304 4.350 -0.000 0.000 0.196 71 E C 0.966 177.597 176.600 0.052 0.000 1.008 71 E CA 0.382 56.788 56.400 0.011 0.000 0.852 71 E CB -1.058 28.593 29.700 -0.081 0.000 0.783 71 E HN 0.255 nan 8.360 nan 0.000 0.505 72 I N 1.898 122.488 120.570 0.033 0.000 2.416 72 I HA 0.071 4.241 4.170 -0.000 0.000 0.288 72 I C 0.400 176.541 176.117 0.039 0.000 1.051 72 I CA -0.271 61.062 61.300 0.055 0.000 1.375 72 I CB 1.557 39.574 38.000 0.029 0.000 1.407 72 I HN 0.166 nan 8.210 nan 0.000 0.516 73 D N 6.334 126.759 120.400 0.042 0.000 2.262 73 D HA 0.226 4.866 4.640 -0.000 0.000 0.212 73 D C 0.396 176.685 176.300 -0.019 0.000 0.964 73 D CA 1.158 55.141 54.000 -0.029 0.000 0.875 73 D CB 0.867 41.614 40.800 -0.087 0.000 0.996 73 D HN 0.314 nan 8.370 nan 0.000 0.497 74 I N 1.361 121.941 120.570 0.016 0.000 2.533 74 I HA 0.191 4.360 4.170 -0.000 0.000 0.290 74 I C -0.754 175.379 176.117 0.027 0.000 1.056 74 I CA -0.826 60.500 61.300 0.044 0.000 1.057 74 I CB 3.072 41.092 38.000 0.033 0.000 1.240 74 I HN -0.385 nan 8.210 nan 0.000 0.423 75 V N 6.692 126.622 119.914 0.027 0.000 2.394 75 V HA 0.343 4.462 4.120 -0.000 0.000 0.282 75 V C -0.002 176.100 176.094 0.012 0.000 1.031 75 V CA -0.700 61.606 62.300 0.010 0.000 0.881 75 V CB 1.899 33.720 31.823 -0.004 0.000 0.982 75 V HN 0.393 nan 8.190 nan 0.000 0.451 76 V N 4.448 124.363 119.914 0.002 0.000 2.350 76 V HA 0.340 4.460 4.120 -0.000 0.000 0.276 76 V C 0.224 176.314 176.094 -0.008 0.000 1.028 76 V CA -0.414 61.888 62.300 0.003 0.000 0.860 76 V CB 1.446 33.269 31.823 0.000 0.000 0.990 76 V HN 0.872 nan 8.190 nan 0.000 0.453 77 E N 5.610 125.807 120.200 -0.005 0.000 2.115 77 E HA 0.369 4.719 4.350 -0.000 0.000 0.282 77 E C -0.529 176.064 176.600 -0.011 0.000 0.987 77 E CA -0.287 56.102 56.400 -0.018 0.000 0.797 77 E CB 1.342 31.026 29.700 -0.027 0.000 1.086 77 E HN 0.694 nan 8.360 nan 0.000 0.397 78 L N 5.640 126.852 121.223 -0.019 0.000 3.267 78 L HA 0.273 4.613 4.340 -0.000 0.000 0.289 78 L C 1.401 178.260 176.870 -0.019 0.000 1.260 78 L CA -0.101 54.732 54.840 -0.012 0.000 1.034 78 L CB 0.303 42.355 42.059 -0.012 0.000 1.413 78 L HN 0.519 nan 8.230 nan 0.000 0.594 79 I N 0.374 120.927 120.570 -0.028 0.000 2.353 79 I HA 0.045 4.215 4.170 -0.000 0.000 0.248 79 I C 1.505 177.611 176.117 -0.019 0.000 1.119 79 I CA 0.914 62.194 61.300 -0.033 0.000 1.417 79 I CB -0.377 37.593 38.000 -0.050 0.000 1.078 79 I HN 0.413 nan 8.210 nan 0.000 0.421 80 G N 0.399 109.194 108.800 -0.008 0.000 2.855 80 G HA2 0.161 4.121 3.960 -0.000 0.000 0.352 80 G HA3 0.161 4.121 3.960 -0.000 0.000 0.352 80 G C 0.254 175.163 174.900 0.014 0.000 1.415 80 G CA -0.505 44.605 45.100 0.018 0.000 0.871 80 G HN 1.089 nan 8.290 nan 0.000 0.543 81 G N -1.960 106.881 108.800 0.068 0.000 2.855 81 G HA2 0.079 4.039 3.960 -0.000 0.000 0.352 81 G HA3 0.079 4.039 3.960 -0.000 0.000 0.352 81 G C 0.951 175.811 174.900 -0.066 0.000 1.415 81 G CA 0.338 45.475 45.100 0.062 0.000 0.871 81 G HN 1.561 nan 8.290 nan 0.000 0.543 82 L N -0.331 120.819 121.223 -0.121 0.000 2.200 82 L HA 0.276 4.616 4.340 -0.000 0.000 0.200 82 L C 1.102 177.907 176.870 -0.109 0.000 1.072 82 L CA 0.828 55.567 54.840 -0.169 0.000 0.787 82 L CB -0.208 41.748 42.059 -0.172 0.000 0.957 82 L HN 0.500 nan 8.230 nan 0.000 0.459 83 E N 0.052 120.207 120.200 -0.076 0.000 2.238 83 E HA 0.264 4.614 4.350 -0.000 0.000 0.267 83 E C -1.795 174.769 176.600 -0.059 0.000 0.887 83 E CA -1.613 54.742 56.400 -0.074 0.000 0.769 83 E CB 1.403 31.067 29.700 -0.060 0.000 1.187 83 E HN 0.006 nan 8.360 nan 0.000 0.416 84 P HA 0.152 nan 4.420 nan 0.000 0.253 84 P C 0.825 178.060 177.300 -0.108 0.000 1.260 84 P CA 0.158 63.205 63.100 -0.088 0.000 0.800 84 P CB 0.278 31.920 31.700 -0.097 0.000 1.162 85 A N 1.513 124.273 122.820 -0.101 0.000 1.892 85 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 85 A C 2.496 180.008 177.584 -0.121 0.000 1.188 85 A CA 1.784 53.758 52.037 -0.104 0.000 0.631 85 A CB -1.024 17.924 19.000 -0.087 0.000 0.822 85 A HN 0.165 nan 8.150 nan 0.000 0.447 86 R N -0.315 120.099 120.500 -0.144 0.000 2.083 86 R HA -0.216 4.124 4.340 -0.000 0.000 0.237 86 R C 2.261 178.462 176.300 -0.164 0.000 1.137 86 R CA 2.011 57.996 56.100 -0.191 0.000 0.951 86 R CB -0.364 29.753 30.300 -0.304 0.000 0.851 86 R HN 0.734 nan 8.270 nan 0.000 0.434 87 E N 0.264 120.384 120.200 -0.133 0.000 2.077 87 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 87 E C 2.129 178.695 176.600 -0.057 0.000 0.989 87 E CA 1.311 57.661 56.400 -0.082 0.000 0.800 87 E CB -0.047 29.628 29.700 -0.043 0.000 0.746 87 E HN 0.415 nan 8.360 nan 0.000 0.452 88 L N 0.576 121.739 121.223 -0.101 0.000 2.056 88 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 88 L C 1.561 178.384 176.870 -0.078 0.000 1.078 88 L CA 0.164 54.930 54.840 -0.124 0.000 0.749 88 L CB -0.298 41.639 42.059 -0.203 0.000 0.901 88 L HN -0.000 nan 8.230 nan 0.000 0.433 92 A N 1.178 124.007 122.820 0.015 0.000 1.902 92 A HA -0.064 4.255 4.320 -0.000 0.000 0.217 92 A C 1.860 179.439 177.584 -0.009 0.000 1.181 92 A CA 1.741 53.780 52.037 0.002 0.000 0.623 92 A CB -0.702 18.290 19.000 -0.013 0.000 0.818 92 A HN 0.443 nan 8.150 nan 0.000 0.443 93 I N -0.209 120.355 120.570 -0.010 0.000 2.179 93 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 93 I C 2.948 179.061 176.117 -0.006 0.000 1.088 93 I CA 1.066 62.361 61.300 -0.008 0.000 1.357 93 I CB -0.355 37.643 38.000 -0.004 0.000 1.051 93 I HN 0.338 nan 8.210 nan 0.000 0.409 94 A N 0.558 123.377 122.820 -0.002 0.000 1.978 94 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 94 A C 1.870 179.454 177.584 -0.000 0.000 1.170 94 A CA 2.076 54.113 52.037 0.000 0.000 0.636 94 A CB -1.015 17.986 19.000 0.002 0.000 0.810 94 A HN 0.578 nan 8.150 nan 0.000 0.448 95 N N -1.145 117.555 118.700 0.001 0.000 2.383 95 N HA 0.285 5.025 4.740 -0.000 0.000 0.192 95 N C 0.767 176.268 175.510 -0.015 0.000 1.141 95 N CA 0.297 53.347 53.050 -0.000 0.000 0.851 95 N CB 0.143 38.637 38.487 0.012 0.000 0.976 95 N HN 0.594 nan 8.380 nan 0.000 0.465 96 G N 1.567 110.350 108.800 -0.029 0.000 2.198 96 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.257 96 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.257 96 G C -0.314 174.499 174.900 -0.145 0.000 1.042 96 G CA 0.107 45.173 45.100 -0.057 0.000 0.791 96 G HN 0.277 nan 8.290 nan 0.000 0.502 97 K N 0.400 120.716 120.400 -0.141 0.000 2.156 97 K HA 0.525 4.845 4.320 -0.000 0.000 0.254 97 K C 0.261 176.729 176.600 -0.220 0.000 0.950 97 K CA -1.025 55.144 56.287 -0.196 0.000 0.849 97 K CB 1.178 33.633 32.500 -0.075 0.000 1.100 97 K HN 0.361 nan 8.250 nan 0.000 0.434 98 H N 0.456 119.532 119.070 0.010 0.000 2.607 98 H HA 0.220 4.776 4.556 -0.000 0.000 0.367 98 H C -0.272 175.068 175.328 0.020 0.000 1.181 98 H CA -0.250 55.816 56.048 0.029 0.000 1.402 98 H CB 0.981 30.748 29.762 0.007 0.000 1.474 98 H HN 0.118 nan 8.280 nan 0.000 0.596 99 V N 2.599 122.611 119.914 0.164 0.000 2.531 99 V HA 0.169 4.289 4.120 -0.000 0.000 0.301 99 V C -0.112 176.042 176.094 0.100 0.000 1.034 99 V CA -0.794 61.562 62.300 0.094 0.000 0.865 99 V CB 2.085 33.940 31.823 0.054 0.000 0.995 99 V HN 0.424 nan 8.190 nan 0.000 0.424 100 V N 3.687 123.640 119.914 0.065 0.000 2.384 100 V HA 0.665 4.785 4.120 -0.000 0.000 0.287 100 V C 0.144 176.269 176.094 0.052 0.000 1.020 100 V CA -0.101 62.232 62.300 0.055 0.000 0.850 100 V CB 1.783 33.620 31.823 0.023 0.000 0.987 100 V HN 0.962 nan 8.190 nan 0.000 0.436 101 T N 3.178 117.780 114.554 0.081 0.000 2.906 101 T HA 0.673 5.023 4.350 -0.000 0.000 0.295 101 T C 0.420 175.172 174.700 0.087 0.000 1.061 101 T CA 0.306 62.447 62.100 0.069 0.000 1.000 101 T CB 1.937 70.840 68.868 0.058 0.000 1.103 101 T HN 0.753 nan 8.240 nan 0.000 0.486 102 A N 3.101 125.956 122.820 0.059 0.000 2.430 102 A HA 0.331 4.651 4.320 -0.000 0.000 0.243 102 A C 0.872 178.494 177.584 0.064 0.000 1.254 102 A CA -0.238 51.839 52.037 0.065 0.000 0.914 102 A CB -0.220 18.805 19.000 0.042 0.000 0.998 102 A HN 0.645 nan 8.150 nan 0.000 0.515 103 N N 1.756 120.485 118.700 0.048 0.000 2.807 103 N HA 0.014 4.753 4.740 -0.000 0.000 0.259 103 N C 1.249 176.763 175.510 0.006 0.000 1.149 103 N CA -0.019 53.047 53.050 0.025 0.000 1.042 103 N CB 0.566 39.048 38.487 -0.009 0.000 1.367 103 N HN 0.432 nan 8.380 nan 0.000 0.516 104 K N 2.174 122.595 120.400 0.035 0.000 2.147 104 K HA -0.201 4.119 4.320 -0.000 0.000 0.205 104 K C 1.378 177.888 176.600 -0.151 0.000 1.049 104 K CA 1.275 57.562 56.287 0.001 0.000 0.936 104 K CB -0.582 31.968 32.500 0.083 0.000 0.722 104 K HN 0.644 nan 8.250 nan 0.000 0.446 105 H N 0.209 119.072 119.070 -0.344 0.000 2.299 105 H HA -0.070 4.485 4.556 -0.000 0.000 0.302 105 H C 2.180 177.214 175.328 -0.491 0.000 1.078 105 H CA 1.249 56.856 56.048 -0.735 0.000 1.323 105 H CB 0.188 29.742 29.762 -0.346 0.000 1.381 105 H HN 0.151 nan 8.280 nan 0.000 0.498 106 L N 0.733 121.812 121.223 -0.240 0.000 2.017 106 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 106 L C 2.380 179.126 176.870 -0.205 0.000 1.073 106 L CA 1.292 56.009 54.840 -0.204 0.000 0.745 106 L CB -0.667 41.312 42.059 -0.133 0.000 0.894 106 L HN 0.157 nan 8.230 nan 0.000 0.432 107 V N 0.052 119.834 119.914 -0.220 0.000 2.407 107 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 107 V C 2.756 178.685 176.094 -0.275 0.000 1.055 107 V CA 1.550 63.681 62.300 -0.280 0.000 1.049 107 V CB -1.375 30.285 31.823 -0.271 0.000 0.662 107 V HN 0.611 nan 8.190 nan 0.000 0.455 108 A N -0.582 122.074 122.820 -0.274 0.000 1.929 108 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 108 A C 2.328 179.759 177.584 -0.254 0.000 1.176 108 A CA 1.597 53.493 52.037 -0.235 0.000 0.628 108 A CB -0.260 18.568 19.000 -0.287 0.000 0.816 108 A HN 0.521 nan 8.150 nan 0.000 0.444 109 K N -2.234 117.927 120.400 -0.398 0.000 2.128 109 K HA 0.050 4.369 4.320 -0.000 0.000 0.202 109 K C 0.516 176.706 176.600 -0.683 0.000 1.050 109 K CA 1.041 57.009 56.287 -0.532 0.000 0.966 109 K CB 0.027 32.113 32.500 -0.691 0.000 0.759 109 K HN 0.563 nan 8.250 nan 0.000 0.454 110 Y N -0.635 119.543 120.300 -0.204 0.000 2.612 110 Y HA 0.223 4.773 4.550 -0.000 0.000 0.250 110 Y C 1.698 177.426 175.900 -0.287 0.000 1.175 110 Y CA -0.521 57.458 58.100 -0.202 0.000 1.205 110 Y CB 0.415 38.755 38.460 -0.199 0.000 1.201 110 Y HN 0.058 nan 8.280 nan 0.000 0.532 111 G N 0.875 109.518 108.800 -0.261 0.000 2.469 111 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.219 111 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.219 111 G C 1.618 176.261 174.900 -0.430 0.000 1.150 111 G CA 1.416 46.218 45.100 -0.497 0.000 0.763 111 G HN 0.291 nan 8.290 nan 0.000 0.561 112 N N 0.892 119.473 118.700 -0.198 0.000 2.043 112 N HA -0.076 4.664 4.740 -0.000 0.000 0.193 112 N C 2.425 177.944 175.510 0.015 0.000 1.037 112 N CA 1.959 54.991 53.050 -0.029 0.000 0.851 112 N CB -0.844 37.703 38.487 0.100 0.000 1.027 112 N HN 0.552 nan 8.380 nan 0.000 0.422 113 E N 1.257 121.458 120.200 0.001 0.000 2.106 113 E HA -0.018 4.331 4.350 -0.000 0.000 0.192 113 E C 2.142 178.711 176.600 -0.051 0.000 0.984 113 E CA 0.849 57.257 56.400 0.012 0.000 0.806 113 E CB -0.699 29.025 29.700 0.040 0.000 0.750 113 E HN 0.387 nan 8.360 nan 0.000 0.458 114 I N -0.841 119.624 120.570 -0.175 0.000 2.163 114 I HA -0.124 4.046 4.170 -0.000 0.000 0.240 114 I C 2.394 178.388 176.117 -0.204 0.000 1.081 114 I CA 1.260 62.398 61.300 -0.271 0.000 1.353 114 I CB -0.196 37.512 38.000 -0.486 0.000 1.054 114 I HN 0.229 nan 8.210 nan 0.000 0.407 115 F N 0.973 120.884 119.950 -0.065 0.000 2.186 115 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 115 F C 2.593 178.455 175.800 0.103 0.000 1.090 115 F CA 1.068 59.083 58.000 0.025 0.000 1.307 115 F CB -1.232 37.746 39.000 -0.037 0.000 1.019 115 F HN 0.003 nan 8.300 nan 0.000 0.489 116 A N 0.145 123.111 122.820 0.244 0.000 1.877 116 A HA -0.079 4.240 4.320 -0.000 0.000 0.216 116 A C 2.465 180.122 177.584 0.121 0.000 1.186 116 A CA 1.943 54.091 52.037 0.185 0.000 0.620 116 A CB -1.306 17.780 19.000 0.144 0.000 0.822 116 A HN 0.298 nan 8.150 nan 0.000 0.443 117 A N -0.290 122.576 122.820 0.077 0.000 1.930 117 A HA 0.198 4.517 4.320 -0.000 0.000 0.217 117 A C 2.495 180.118 177.584 0.066 0.000 1.175 117 A CA 2.000 54.065 52.037 0.047 0.000 0.627 117 A CB -0.964 18.041 19.000 0.008 0.000 0.815 117 A HN 1.032 nan 8.150 nan 0.000 0.443 118 A N -0.805 122.077 122.820 0.103 0.000 1.877 118 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 118 A C 2.204 179.879 177.584 0.153 0.000 1.186 118 A CA 1.827 53.951 52.037 0.145 0.000 0.620 118 A CB -0.623 18.511 19.000 0.224 0.000 0.822 118 A HN 0.638 nan 8.150 nan 0.000 0.443 119 Q N -0.701 119.201 119.800 0.169 0.000 2.084 119 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 119 Q C 2.201 178.223 176.000 0.036 0.000 0.978 119 Q CA 1.514 57.388 55.803 0.118 0.000 0.844 119 Q CB -0.333 28.490 28.738 0.142 0.000 0.898 119 Q HN 0.626 nan 8.270 nan 0.000 0.426 120 A N 0.625 123.472 122.820 0.045 0.000 1.902 120 A HA -0.201 4.118 4.320 -0.000 0.000 0.217 120 A C 2.000 179.580 177.584 -0.008 0.000 1.181 120 A CA 1.823 53.867 52.037 0.013 0.000 0.623 120 A CB -0.382 18.633 19.000 0.025 0.000 0.818 120 A HN 0.210 nan 8.150 nan 0.000 0.443 121 K N -1.382 119.025 120.400 0.013 0.000 2.228 121 K HA 0.130 4.450 4.320 -0.000 0.000 0.202 121 K C 1.020 177.620 176.600 0.000 0.000 1.051 121 K CA 1.076 57.369 56.287 0.009 0.000 0.960 121 K CB -0.256 32.258 32.500 0.022 0.000 0.743 121 K HN 0.914 nan 8.250 nan 0.000 0.458 122 G N 0.070 108.867 108.800 -0.005 0.000 2.132 122 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.228 122 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.228 122 G C 0.029 175.110 174.900 0.301 0.000 1.000 122 G CA 0.243 45.325 45.100 -0.030 0.000 0.693 122 G HN 0.432 nan 8.290 nan 0.000 0.515 126 T N 0.795 115.512 114.554 0.272 0.000 2.916 126 T HA 0.914 5.264 4.350 -0.000 0.000 0.292 126 T C -0.509 174.278 174.700 0.145 0.000 1.055 126 T CA -0.512 61.631 62.100 0.073 0.000 1.009 126 T CB 2.090 70.910 68.868 -0.081 0.000 1.118 126 T HN 1.344 nan 8.240 nan 0.000 0.497 127 F N -1.194 118.819 119.950 0.103 0.000 2.790 127 F HA 0.543 5.069 4.527 -0.000 0.000 0.347 127 F C 1.144 176.974 175.800 0.049 0.000 1.252 127 F CA -0.956 57.094 58.000 0.083 0.000 1.109 127 F CB -0.501 38.578 39.000 0.131 0.000 1.205 127 F HN 0.626 nan 8.300 nan 0.000 0.510 128 E N 2.341 122.451 120.200 -0.150 0.000 2.070 128 E HA -0.178 4.171 4.350 -0.000 0.000 0.197 128 E C 2.176 178.789 176.600 0.022 0.000 1.004 128 E CA 2.198 58.547 56.400 -0.085 0.000 0.805 128 E CB -0.211 29.417 29.700 -0.120 0.000 0.744 128 E HN 0.496 nan 8.360 nan 0.000 0.451 129 A N -0.040 122.801 122.820 0.034 0.000 2.168 129 A HA 0.149 4.469 4.320 -0.000 0.000 0.215 129 A C 2.192 179.823 177.584 0.077 0.000 1.152 129 A CA 1.326 53.390 52.037 0.044 0.000 0.716 129 A CB -0.568 18.450 19.000 0.030 0.000 0.794 129 A HN 0.364 nan 8.150 nan 0.000 0.465 130 A N -0.326 122.573 122.820 0.131 0.000 2.067 130 A HA 0.335 4.655 4.320 -0.000 0.000 0.217 130 A C 0.981 178.640 177.584 0.125 0.000 1.156 130 A CA 1.238 53.359 52.037 0.139 0.000 0.683 130 A CB -0.543 18.570 19.000 0.187 0.000 0.808 130 A HN 1.122 nan 8.150 nan 0.000 0.455 131 V N -6.176 113.814 119.914 0.126 0.000 2.525 131 V HA 0.743 4.863 4.120 -0.000 0.000 0.299 131 V C 0.278 176.410 176.094 0.064 0.000 1.034 131 V CA -0.602 61.758 62.300 0.100 0.000 0.863 131 V CB 0.143 32.039 31.823 0.121 0.000 0.999 131 V HN 1.775 nan 8.190 nan 0.000 0.423 132 A N 2.863 125.714 122.820 0.052 0.000 2.872 132 A HA 0.092 4.412 4.320 -0.000 0.000 0.273 132 A C 2.192 179.787 177.584 0.017 0.000 1.442 132 A CA 1.500 53.556 52.037 0.032 0.000 0.801 132 A CB -1.802 17.216 19.000 0.030 0.000 1.031 132 A HN 3.184 nan 8.150 nan 0.000 0.582 133 G N -0.945 107.869 108.800 0.023 0.000 2.685 133 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.329 133 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.329 133 G C 1.910 176.811 174.900 0.002 0.000 1.271 133 G CA 1.750 46.857 45.100 0.012 0.000 1.003 133 G HN 2.206 nan 8.290 nan 0.000 0.549 134 G N 0.086 108.881 108.800 -0.008 0.000 2.813 134 G HA2 0.395 4.355 3.960 -0.000 0.000 0.209 134 G HA3 0.395 4.355 3.960 -0.000 0.000 0.209 134 G C 0.838 175.733 174.900 -0.009 0.000 1.150 134 G CA 0.499 45.592 45.100 -0.011 0.000 0.785 134 G HN 0.777 nan 8.290 nan 0.000 0.535 135 I N 2.371 122.937 120.570 -0.007 0.000 2.517 135 I HA 0.130 4.300 4.170 -0.000 0.000 0.285 135 I C -1.669 174.439 176.117 -0.016 0.000 1.106 135 I CA -1.635 59.670 61.300 0.009 0.000 1.402 135 I CB 1.384 39.400 38.000 0.027 0.000 1.399 135 I HN -0.068 nan 8.210 nan 0.000 0.535 136 P HA 0.072 nan 4.420 nan 0.000 0.220 136 P C 0.705 177.914 177.300 -0.152 0.000 1.806 136 P CA -0.014 63.046 63.100 -0.068 0.000 0.976 136 P CB 0.288 31.962 31.700 -0.044 0.000 1.952 137 I N 1.128 121.599 120.570 -0.166 0.000 2.353 137 I HA -0.163 4.006 4.170 -0.000 0.000 0.248 137 I C 1.833 177.815 176.117 -0.224 0.000 1.119 137 I CA 1.209 62.342 61.300 -0.278 0.000 1.417 137 I CB -0.287 37.605 38.000 -0.179 0.000 1.078 137 I HN -0.069 nan 8.210 nan 0.000 0.421 138 I N 0.731 121.220 120.570 -0.135 0.000 2.226 138 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 138 I C 2.430 178.456 176.117 -0.151 0.000 1.100 138 I CA 1.463 62.692 61.300 -0.119 0.000 1.374 138 I CB -1.546 36.365 38.000 -0.148 0.000 1.057 138 I HN 0.324 nan 8.210 nan 0.000 0.413 139 K N 1.204 121.510 120.400 -0.156 0.000 2.026 139 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 139 K C 2.266 178.785 176.600 -0.135 0.000 1.048 139 K CA 1.614 57.820 56.287 -0.134 0.000 0.929 139 K CB -0.078 32.356 32.500 -0.111 0.000 0.713 139 K HN 0.213 nan 8.250 nan 0.000 0.439 140 A N 1.364 124.068 122.820 -0.193 0.000 1.873 140 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 140 A C 2.175 179.644 177.584 -0.191 0.000 1.193 140 A CA 1.691 53.587 52.037 -0.235 0.000 0.629 140 A CB -0.805 17.844 19.000 -0.586 0.000 0.826 140 A HN 0.364 nan 8.150 nan 0.000 0.447 141 L N -1.574 119.523 121.223 -0.210 0.000 2.056 141 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 141 L C 2.817 179.629 176.870 -0.096 0.000 1.078 141 L CA 1.810 56.564 54.840 -0.144 0.000 0.749 141 L CB -0.287 41.688 42.059 -0.139 0.000 0.901 141 L HN 0.484 nan 8.230 nan 0.000 0.433 142 R N -0.164 120.281 120.500 -0.092 0.000 2.127 142 R HA -0.056 4.283 4.340 -0.000 0.000 0.217 142 R C 1.741 178.005 176.300 -0.060 0.000 1.074 142 R CA 1.263 57.321 56.100 -0.070 0.000 0.991 142 R CB 0.155 30.410 30.300 -0.074 0.000 0.895 142 R HN 0.371 nan 8.270 nan 0.000 0.450 143 E N -1.859 118.301 120.200 -0.065 0.000 2.378 143 E HA 0.186 4.536 4.350 -0.000 0.000 0.200 143 E C 1.785 178.363 176.600 -0.037 0.000 0.882 143 E CA 0.417 56.787 56.400 -0.050 0.000 1.061 143 E CB -0.134 29.533 29.700 -0.056 0.000 1.049 143 E HN 0.386 nan 8.360 nan 0.000 0.494 144 G N 1.701 110.478 108.800 -0.039 0.000 2.422 144 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 144 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 144 G C 1.341 176.239 174.900 -0.005 0.000 1.146 144 G CA 0.614 45.707 45.100 -0.012 0.000 0.769 144 G HN 0.051 nan 8.290 nan 0.000 0.547 145 L N 0.642 121.853 121.223 -0.019 0.000 2.872 145 L HA 0.209 4.549 4.340 -0.000 0.000 0.245 145 L C 2.355 179.215 176.870 -0.017 0.000 1.211 145 L CA 0.068 54.901 54.840 -0.012 0.000 1.013 145 L CB 0.466 42.515 42.059 -0.016 0.000 1.326 145 L HN 0.170 nan 8.230 nan 0.000 0.525 146 T N 0.416 114.959 114.554 -0.019 0.000 2.849 146 T HA -0.183 4.167 4.350 -0.000 0.000 0.270 146 T C 1.718 176.414 174.700 -0.007 0.000 1.066 146 T CA 1.703 63.793 62.100 -0.016 0.000 1.130 146 T CB 0.143 69.001 68.868 -0.017 0.000 0.864 146 T HN 0.487 nan 8.240 nan 0.000 0.481 147 A N 0.903 123.721 122.820 -0.005 0.000 2.238 147 A HA 0.215 4.535 4.320 -0.000 0.000 0.208 147 A C 0.810 178.395 177.584 0.001 0.000 1.177 147 A CA -0.090 51.947 52.037 -0.001 0.000 0.804 147 A CB -0.114 18.886 19.000 -0.001 0.000 0.823 147 A HN 0.543 nan 8.150 nan 0.000 0.482 148 N N 0.204 118.905 118.700 0.001 0.000 2.361 148 N HA 0.251 4.991 4.740 -0.000 0.000 0.302 148 N C -0.618 174.901 175.510 0.016 0.000 1.074 148 N CA -0.497 52.555 53.050 0.004 0.000 0.850 148 N CB 1.615 40.100 38.487 -0.004 0.000 1.228 148 N HN 0.316 nan 8.380 nan 0.000 0.491 149 R N 2.546 123.061 120.500 0.025 0.000 2.298 149 R HA 0.249 4.589 4.340 -0.000 0.000 0.310 149 R C -0.333 176.004 176.300 0.061 0.000 1.068 149 R CA -0.450 55.681 56.100 0.051 0.000 0.957 149 R CB 0.412 30.741 30.300 0.048 0.000 1.003 149 R HN 0.449 nan 8.270 nan 0.000 0.454 150 I N 5.016 125.655 120.570 0.116 0.000 2.352 150 I HA 0.049 4.219 4.170 -0.000 0.000 0.290 150 I C 1.009 177.277 176.117 0.253 0.000 1.036 150 I CA 0.254 61.632 61.300 0.130 0.000 1.336 150 I CB 1.348 39.406 38.000 0.097 0.000 1.407 150 I HN 0.820 nan 8.210 nan 0.000 0.497 151 E N 6.596 126.870 120.200 0.123 0.000 2.102 151 E HA 0.025 4.374 4.350 -0.000 0.000 0.190 151 E C -0.328 176.500 176.600 0.380 0.000 0.971 151 E CA 0.817 57.328 56.400 0.185 0.000 0.821 151 E CB 0.435 30.216 29.700 0.135 0.000 0.777 151 E HN 0.709 nan 8.360 nan 0.000 0.460 152 W N 0.474 121.916 121.300 0.237 0.000 3.057 152 W HA 0.491 5.151 4.660 -0.000 0.000 0.328 152 W C -2.106 174.519 176.519 0.178 0.000 1.232 152 W CA -1.152 56.349 57.345 0.260 0.000 1.187 152 W CB 0.212 29.767 29.460 0.158 0.000 1.417 152 W HN -0.144 nan 8.180 nan 0.000 0.569 153 L N 0.242 121.745 121.223 0.466 0.000 2.409 153 L HA 1.010 5.349 4.340 -0.000 0.000 0.262 153 L C -0.861 176.268 176.870 0.432 0.000 0.992 153 L CA -1.207 53.812 54.840 0.298 0.000 0.817 153 L CB 1.528 43.643 42.059 0.094 0.000 1.350 153 L HN 0.703 nan 8.230 nan 0.000 0.411 154 A N 0.585 123.639 122.820 0.390 0.000 2.356 154 A HA 0.967 5.286 4.320 -0.000 0.000 0.310 154 A C -0.239 177.457 177.584 0.187 0.000 1.075 154 A CA 0.018 52.221 52.037 0.278 0.000 0.746 154 A CB 1.415 20.595 19.000 0.300 0.000 1.221 154 A HN 1.255 nan 8.150 nan 0.000 0.443 155 G N 0.866 109.742 108.800 0.126 0.000 2.617 155 G HA2 0.566 4.526 3.960 -0.000 0.000 0.306 155 G HA3 0.566 4.526 3.960 -0.000 0.000 0.306 155 G C -0.936 174.014 174.900 0.082 0.000 1.360 155 G CA -0.512 44.652 45.100 0.107 0.000 0.983 155 G HN 0.649 nan 8.290 nan 0.000 0.496 156 I N 2.874 123.498 120.570 0.091 0.000 2.281 156 I HA 0.251 4.421 4.170 -0.000 0.000 0.293 156 I C 0.732 176.892 176.117 0.072 0.000 1.085 156 I CA -0.232 61.115 61.300 0.078 0.000 1.257 156 I CB 0.705 38.760 38.000 0.091 0.000 1.430 156 I HN 0.577 nan 8.210 nan 0.000 0.489 157 I N 1.779 122.386 120.570 0.061 0.000 3.994 157 I HA 0.421 4.590 4.170 -0.000 0.000 0.323 157 I C -0.212 175.938 176.117 0.055 0.000 1.501 157 I CA -0.391 60.943 61.300 0.057 0.000 1.112 157 I CB 0.263 38.297 38.000 0.058 0.000 1.254 157 I HN 0.414 nan 8.210 nan 0.000 0.495 158 N N 1.010 119.745 118.700 0.059 0.000 2.504 158 N HA 0.497 5.237 4.740 -0.000 0.000 0.280 158 N C 1.007 176.566 175.510 0.082 0.000 1.052 158 N CA -0.194 52.895 53.050 0.065 0.000 0.887 158 N CB 2.030 40.552 38.487 0.059 0.000 1.323 158 N HN 0.153 nan 8.380 nan 0.000 0.509 159 G N 1.141 109.991 108.800 0.082 0.000 2.408 159 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 159 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 159 G C 1.010 175.996 174.900 0.143 0.000 1.150 159 G CA 1.182 46.342 45.100 0.101 0.000 0.776 159 G HN 0.580 nan 8.290 nan 0.000 0.542 160 T N 1.448 116.078 114.554 0.128 0.000 2.737 160 T HA -0.147 4.203 4.350 -0.000 0.000 0.265 160 T C 2.919 177.737 174.700 0.197 0.000 1.038 160 T CA 1.954 64.147 62.100 0.154 0.000 1.144 160 T CB -0.404 68.531 68.868 0.112 0.000 0.866 160 T HN 0.518 nan 8.240 nan 0.000 0.434 161 S N 1.867 117.661 115.700 0.156 0.000 2.402 161 S HA -0.120 4.350 4.470 -0.000 0.000 0.229 161 S C 1.948 176.633 174.600 0.141 0.000 1.021 161 S CA 1.158 59.451 58.200 0.155 0.000 0.974 161 S CB -0.698 62.574 63.200 0.119 0.000 0.800 161 S HN 0.533 nan 8.310 nan 0.000 0.484 162 N N 0.081 118.861 118.700 0.133 0.000 2.188 162 N HA -0.098 4.642 4.740 -0.000 0.000 0.184 162 N C 1.628 177.205 175.510 0.112 0.000 1.018 162 N CA 1.231 54.348 53.050 0.110 0.000 0.858 162 N CB -0.262 38.289 38.487 0.106 0.000 0.989 162 N HN 0.501 nan 8.380 nan 0.000 0.426 163 F N 1.980 121.935 119.950 0.009 0.000 2.095 163 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 163 F C 2.108 177.879 175.800 -0.049 0.000 1.104 163 F CA 1.243 59.216 58.000 -0.046 0.000 1.232 163 F CB -0.279 38.670 39.000 -0.084 0.000 0.987 163 F HN -0.017 nan 8.300 nan 0.000 0.475 164 I N 0.133 120.772 120.570 0.115 0.000 2.163 164 I HA -0.347 3.823 4.170 -0.000 0.000 0.243 164 I C 2.342 178.438 176.117 -0.036 0.000 1.085 164 I CA 1.498 62.815 61.300 0.028 0.000 1.347 164 I CB -0.580 37.514 38.000 0.157 0.000 1.044 164 I HN 0.182 nan 8.210 nan 0.000 0.408 165 L N -0.306 120.928 121.223 0.017 0.000 2.141 165 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 165 L C 2.631 179.465 176.870 -0.061 0.000 1.094 165 L CA 1.011 55.853 54.840 0.003 0.000 0.763 165 L CB -0.542 41.535 42.059 0.030 0.000 0.908 165 L HN 0.193 nan 8.230 nan 0.000 0.437 166 S N -1.075 114.558 115.700 -0.112 0.000 2.355 166 S HA -0.081 4.389 4.470 -0.000 0.000 0.222 166 S C 1.003 175.465 174.600 -0.230 0.000 1.031 166 S CA 0.746 58.852 58.200 -0.157 0.000 0.993 166 S CB -0.147 62.944 63.200 -0.181 0.000 0.859 166 S HN 0.328 nan 8.310 nan 0.000 0.453 170 D N 1.513 121.864 120.400 -0.082 0.000 2.097 170 D HA -0.094 4.546 4.640 -0.000 0.000 0.195 170 D C 1.261 177.521 176.300 -0.067 0.000 0.989 170 D CA 1.476 55.431 54.000 -0.076 0.000 0.827 170 D CB 0.198 40.939 40.800 -0.099 0.000 0.966 170 D HN 0.103 nan 8.370 nan 0.000 0.456 171 K N -1.163 119.190 120.400 -0.079 0.000 2.352 171 K HA 0.265 4.585 4.320 -0.000 0.000 0.194 171 K C 1.210 177.780 176.600 -0.050 0.000 1.038 171 K CA 0.680 56.929 56.287 -0.063 0.000 1.023 171 K CB 0.564 33.021 32.500 -0.072 0.000 0.840 171 K HN 0.166 nan 8.250 nan 0.000 0.519 172 G N -0.032 108.737 108.800 -0.052 0.000 2.179 172 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 172 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 172 G C 0.325 175.202 174.900 -0.038 0.000 0.977 172 G CA 0.257 45.330 45.100 -0.045 0.000 0.641 172 G HN 0.517 nan 8.290 nan 0.000 0.533 173 A N 0.005 122.803 122.820 -0.036 0.000 2.296 173 A HA 0.901 5.221 4.320 -0.000 0.000 0.264 173 A C 1.051 178.630 177.584 -0.008 0.000 1.097 173 A CA 0.854 52.876 52.037 -0.025 0.000 0.811 173 A CB 0.438 19.420 19.000 -0.030 0.000 1.072 173 A HN 2.068 nan 8.150 nan 0.000 0.495 174 A N -0.326 122.498 122.820 0.007 0.000 2.386 174 A HA 0.424 4.744 4.320 -0.000 0.000 0.248 174 A C 0.744 178.371 177.584 0.071 0.000 1.082 174 A CA 0.139 52.205 52.037 0.047 0.000 0.789 174 A CB -0.307 18.721 19.000 0.047 0.000 1.025 174 A HN 1.471 nan 8.150 nan 0.000 0.490 175 F N 1.197 121.141 119.950 -0.010 0.000 2.091 175 F HA -0.249 4.278 4.527 -0.000 0.000 0.299 175 F C 1.495 177.304 175.800 0.014 0.000 1.103 175 F CA 2.723 60.724 58.000 0.001 0.000 1.228 175 F CB -0.258 38.745 39.000 0.006 0.000 0.984 175 F HN 0.706 nan 8.300 nan 0.000 0.477 176 D N 0.741 121.119 120.400 -0.037 0.000 2.116 176 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 176 D C 2.138 178.333 176.300 -0.174 0.000 0.998 176 D CA 2.106 56.032 54.000 -0.123 0.000 0.836 176 D CB -0.996 39.827 40.800 0.039 0.000 0.951 176 D HN 0.632 nan 8.370 nan 0.000 0.449 177 D N -0.329 120.011 120.400 -0.100 0.000 2.289 177 D HA 0.056 4.696 4.640 -0.000 0.000 0.207 177 D C 2.170 178.419 176.300 -0.084 0.000 0.966 177 D CA 0.516 54.473 54.000 -0.072 0.000 0.868 177 D CB -0.399 40.381 40.800 -0.033 0.000 0.943 177 D HN 0.060 nan 8.370 nan 0.000 0.514 178 V N 0.510 120.351 119.914 -0.122 0.000 2.358 178 V HA -0.095 4.025 4.120 -0.000 0.000 0.246 178 V C 2.655 178.680 176.094 -0.116 0.000 1.047 178 V CA 1.029 63.267 62.300 -0.103 0.000 1.035 178 V CB -0.216 31.544 31.823 -0.105 0.000 0.658 178 V HN 0.546 nan 8.190 nan 0.000 0.452 179 L N 0.605 121.648 121.223 -0.300 0.000 2.046 179 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 179 L C 2.877 179.671 176.870 -0.127 0.000 1.077 179 L CA 2.523 57.187 54.840 -0.294 0.000 0.747 179 L CB -0.740 40.953 42.059 -0.611 0.000 0.896 179 L HN 0.447 nan 8.230 nan 0.000 0.432 180 K N -0.210 120.121 120.400 -0.115 0.000 2.057 180 K HA -0.241 4.079 4.320 -0.000 0.000 0.206 180 K C 1.835 178.431 176.600 -0.007 0.000 1.050 180 K CA 1.625 57.882 56.287 -0.050 0.000 0.935 180 K CB -0.805 31.668 32.500 -0.044 0.000 0.715 180 K HN 0.372 nan 8.250 nan 0.000 0.439 181 E N 0.358 120.562 120.200 0.007 0.000 2.106 181 E HA 0.034 4.384 4.350 -0.000 0.000 0.192 181 E C 2.099 178.769 176.600 0.116 0.000 0.984 181 E CA 1.411 57.843 56.400 0.055 0.000 0.806 181 E CB -0.338 29.394 29.700 0.054 0.000 0.750 181 E HN 0.498 nan 8.360 nan 0.000 0.458 182 A N 0.233 123.134 122.820 0.136 0.000 1.930 182 A HA -0.207 4.112 4.320 -0.000 0.000 0.217 182 A C 2.135 179.782 177.584 0.106 0.000 1.175 182 A CA 1.612 53.764 52.037 0.192 0.000 0.627 182 A CB -0.515 18.612 19.000 0.211 0.000 0.815 182 A HN 0.334 nan 8.150 nan 0.000 0.443 183 Q N -0.998 118.829 119.800 0.045 0.000 2.084 183 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 183 Q C 2.387 178.387 176.000 -0.000 0.000 0.978 183 Q CA 1.444 57.252 55.803 0.008 0.000 0.844 183 Q CB -0.199 28.536 28.738 -0.005 0.000 0.898 183 Q HN 0.651 nan 8.270 nan 0.000 0.426 184 R N 0.461 120.971 120.500 0.017 0.000 2.096 184 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 184 R C 1.444 177.747 176.300 0.005 0.000 1.127 184 R CA 1.085 57.191 56.100 0.010 0.000 0.968 184 R CB -0.009 30.304 30.300 0.022 0.000 0.861 184 R HN 0.210 nan 8.270 nan 0.000 0.440 185 L N -0.077 121.171 121.223 0.043 0.000 2.591 185 L HA 0.238 4.577 4.340 -0.000 0.000 0.228 185 L C 0.987 177.730 176.870 -0.212 0.000 1.133 185 L CA 1.222 56.071 54.840 0.014 0.000 0.880 185 L CB 0.572 42.767 42.059 0.227 0.000 1.033 185 L HN 0.540 nan 8.230 nan 0.000 0.450 186 G N -1.836 106.858 108.800 -0.176 0.000 2.132 186 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.228 186 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.228 186 G C 0.592 175.254 174.900 -0.397 0.000 1.000 186 G CA 0.425 45.365 45.100 -0.267 0.000 0.693 186 G HN 0.380 nan 8.290 nan 0.000 0.515 187 Y N 0.053 120.209 120.300 -0.240 0.000 2.517 187 Y HA 0.547 5.097 4.550 -0.000 0.000 0.281 187 Y C 1.773 177.547 175.900 -0.209 0.000 1.125 187 Y CA 0.989 58.875 58.100 -0.357 0.000 1.283 187 Y CB 0.565 38.522 38.460 -0.837 0.000 1.042 187 Y HN 0.671 nan 8.280 nan 0.000 0.547 188 A N 0.090 122.910 122.820 -0.000 0.000 2.393 188 A HA 0.540 4.860 4.320 -0.000 0.000 0.306 188 A C -0.758 176.817 177.584 -0.014 0.000 1.050 188 A CA -0.756 51.287 52.037 0.011 0.000 0.724 188 A CB 0.917 19.941 19.000 0.039 0.000 1.248 188 A HN 0.187 nan 8.150 nan 0.000 0.424 189 E N 0.813 121.005 120.200 -0.014 0.000 2.349 189 E HA 0.453 4.802 4.350 -0.000 0.000 0.262 189 E C 1.357 177.946 176.600 -0.019 0.000 1.088 189 E CA 0.278 56.662 56.400 -0.027 0.000 0.899 189 E CB 1.203 30.881 29.700 -0.036 0.000 1.044 189 E HN 0.783 nan 8.360 nan 0.000 0.420 190 A N 2.279 125.084 122.820 -0.026 0.000 1.958 190 A HA -0.192 4.128 4.320 -0.000 0.000 0.221 190 A C 0.944 178.520 177.584 -0.013 0.000 1.178 190 A CA 1.681 53.706 52.037 -0.019 0.000 0.642 190 A CB -0.135 18.851 19.000 -0.023 0.000 0.816 190 A HN 0.570 nan 8.150 nan 0.000 0.453 191 D N -1.117 119.270 120.400 -0.022 0.000 2.472 191 D HA 0.338 4.978 4.640 -0.000 0.000 0.234 191 D C -2.254 174.040 176.300 -0.011 0.000 1.088 191 D CA -1.950 52.039 54.000 -0.018 0.000 0.882 191 D CB 1.286 42.060 40.800 -0.043 0.000 1.037 191 D HN 0.148 nan 8.370 nan 0.000 0.520 192 P HA 0.109 nan 4.420 nan 0.000 0.258 192 P C 0.946 178.313 177.300 0.112 0.000 1.416 192 P CA -0.103 63.034 63.100 0.062 0.000 0.927 192 P CB 0.460 32.203 31.700 0.071 0.000 1.444 193 T N -0.065 114.557 114.554 0.114 0.000 2.624 193 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 193 T C 1.480 176.346 174.700 0.276 0.000 1.041 193 T CA 1.522 63.731 62.100 0.181 0.000 1.159 193 T CB -1.073 67.908 68.868 0.188 0.000 0.863 193 T HN 0.148 nan 8.240 nan 0.000 0.434 194 F N 1.506 121.447 119.950 -0.015 0.000 2.216 194 F HA -0.133 4.393 4.527 -0.000 0.000 0.300 194 F C 2.508 178.282 175.800 -0.042 0.000 1.085 194 F CA 0.513 58.479 58.000 -0.057 0.000 1.326 194 F CB -0.162 38.796 39.000 -0.071 0.000 1.027 194 F HN 0.198 nan 8.300 nan 0.000 0.497 195 D N 0.778 121.294 120.400 0.193 0.000 2.107 195 D HA -0.128 4.511 4.640 -0.000 0.000 0.204 195 D C 2.153 178.519 176.300 0.111 0.000 0.978 195 D CA 1.694 55.770 54.000 0.126 0.000 0.852 195 D CB -0.544 40.330 40.800 0.123 0.000 1.008 195 D HN 0.394 nan 8.370 nan 0.000 0.458 196 I N -0.875 119.780 120.570 0.141 0.000 2.830 196 I HA -0.025 4.145 4.170 -0.000 0.000 0.263 196 I C 1.342 177.506 176.117 0.079 0.000 1.230 196 I CA 1.138 62.532 61.300 0.157 0.000 1.480 196 I CB -0.031 38.137 38.000 0.280 0.000 1.095 196 I HN -0.246 nan 8.210 nan 0.000 0.455 197 E N 1.544 121.777 120.200 0.054 0.000 2.474 197 E HA 0.174 4.524 4.350 -0.000 0.000 0.195 197 E C 1.641 178.209 176.600 -0.054 0.000 1.039 197 E CA 0.668 57.066 56.400 -0.003 0.000 0.881 197 E CB 0.626 30.329 29.700 0.005 0.000 0.970 197 E HN 0.684 nan 8.360 nan 0.000 0.486 198 G N 1.721 110.494 108.800 -0.045 0.000 2.159 198 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.256 198 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.256 198 G C 1.063 175.868 174.900 -0.158 0.000 0.977 198 G CA 0.555 45.610 45.100 -0.075 0.000 0.652 198 G HN 0.341 nan 8.290 nan 0.000 0.531 199 I N 0.183 120.598 120.570 -0.259 0.000 2.202 199 I HA -0.071 4.098 4.170 -0.000 0.000 0.242 199 I C 2.434 178.080 176.117 -0.785 0.000 1.091 199 I CA 1.885 62.860 61.300 -0.542 0.000 1.368 199 I CB -0.332 37.156 38.000 -0.854 0.000 1.058 199 I HN 0.275 nan 8.210 nan 0.000 0.410 200 D N 1.282 121.380 120.400 -0.502 0.000 2.092 200 D HA -0.216 4.424 4.640 -0.000 0.000 0.193 200 D C 2.174 178.385 176.300 -0.148 0.000 0.994 200 D CA 1.806 55.646 54.000 -0.267 0.000 0.828 200 D CB 0.024 40.832 40.800 0.014 0.000 0.963 200 D HN 0.280 nan 8.370 nan 0.000 0.450 201 A N 0.242 123.009 122.820 -0.088 0.000 1.940 201 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 201 A C 2.339 179.918 177.584 -0.007 0.000 1.176 201 A CA 2.316 54.339 52.037 -0.022 0.000 0.631 201 A CB -1.023 17.971 19.000 -0.009 0.000 0.814 201 A HN 0.374 nan 8.150 nan 0.000 0.446 202 A N -1.192 121.600 122.820 -0.047 0.000 2.016 202 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 202 A C 1.807 179.523 177.584 0.219 0.000 1.162 202 A CA 1.299 53.383 52.037 0.078 0.000 0.662 202 A CB -0.836 18.216 19.000 0.087 0.000 0.812 202 A HN 0.758 nan 8.150 nan 0.000 0.450 203 H N -0.015 119.078 119.070 0.039 0.000 2.290 203 H HA -0.117 4.439 4.556 -0.000 0.000 0.298 203 H C 2.086 177.407 175.328 -0.011 0.000 1.087 203 H CA 1.641 57.629 56.048 -0.101 0.000 1.291 203 H CB 0.014 29.651 29.762 -0.208 0.000 1.369 203 H HN 0.426 nan 8.280 nan 0.000 0.492 204 K N 0.351 120.839 120.400 0.146 0.000 2.057 204 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 204 K C 2.175 178.832 176.600 0.095 0.000 1.049 204 K CA 1.013 57.362 56.287 0.104 0.000 0.931 204 K CB -0.164 32.388 32.500 0.088 0.000 0.714 204 K HN 0.073 nan 8.250 nan 0.000 0.440 205 L N 1.470 122.752 121.223 0.098 0.000 2.046 205 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 205 L C 2.035 178.972 176.870 0.113 0.000 1.077 205 L CA 1.884 56.781 54.840 0.096 0.000 0.747 205 L CB -0.696 41.418 42.059 0.092 0.000 0.896 205 L HN 0.129 nan 8.230 nan 0.000 0.432 206 T N 0.076 114.721 114.554 0.152 0.000 2.665 206 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 206 T C 1.923 176.689 174.700 0.110 0.000 1.035 206 T CA 2.243 64.441 62.100 0.163 0.000 1.151 206 T CB -0.410 68.598 68.868 0.234 0.000 0.862 206 T HN 0.347 nan 8.240 nan 0.000 0.438 207 I N 0.554 121.164 120.570 0.067 0.000 2.179 207 I HA -0.138 4.031 4.170 -0.000 0.000 0.242 207 I C 2.319 178.472 176.117 0.060 0.000 1.088 207 I CA 1.206 62.516 61.300 0.016 0.000 1.357 207 I CB -0.444 37.537 38.000 -0.031 0.000 1.051 207 I HN 0.195 nan 8.210 nan 0.000 0.409 208 L N 0.468 121.725 121.223 0.056 0.000 2.079 208 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 208 L C 2.855 179.673 176.870 -0.085 0.000 1.081 208 L CA 1.789 56.634 54.840 0.008 0.000 0.752 208 L CB -0.675 41.388 42.059 0.007 0.000 0.896 208 L HN 0.401 nan 8.230 nan 0.000 0.433 209 S N 0.037 115.713 115.700 -0.039 0.000 2.383 209 S HA -0.152 4.317 4.470 -0.000 0.000 0.227 209 S C 2.176 176.758 174.600 -0.029 0.000 1.026 209 S CA 0.821 58.975 58.200 -0.077 0.000 0.981 209 S CB -0.352 62.944 63.200 0.160 0.000 0.818 209 S HN 0.339 nan 8.310 nan 0.000 0.472 210 A N 1.922 124.790 122.820 0.081 0.000 1.902 210 A HA 0.073 4.393 4.320 -0.000 0.000 0.217 210 A C 2.215 179.829 177.584 0.051 0.000 1.181 210 A CA 1.569 53.695 52.037 0.149 0.000 0.623 210 A CB -0.606 18.588 19.000 0.323 0.000 0.818 210 A HN 0.565 nan 8.150 nan 0.000 0.443 211 I N -0.514 120.071 120.570 0.025 0.000 2.480 211 I HA -0.046 4.123 4.170 -0.000 0.000 0.251 211 I C 2.834 178.884 176.117 -0.112 0.000 1.124 211 I CA 1.065 62.363 61.300 -0.004 0.000 1.444 211 I CB -1.677 36.367 38.000 0.074 0.000 1.098 211 I HN 0.323 nan 8.210 nan 0.000 0.428 212 A N 0.898 123.555 122.820 -0.271 0.000 1.877 212 A HA -0.148 4.171 4.320 -0.000 0.000 0.216 212 A C 1.771 179.165 177.584 -0.316 0.000 1.186 212 A CA 1.643 53.401 52.037 -0.465 0.000 0.620 212 A CB -0.671 17.758 19.000 -0.952 0.000 0.822 212 A HN 0.346 nan 8.150 nan 0.000 0.443 213 F N -1.055 118.908 119.950 0.022 0.000 2.678 213 F HA 0.407 4.934 4.527 -0.000 0.000 0.305 213 F C 1.621 177.410 175.800 -0.018 0.000 1.090 213 F CA -0.521 57.486 58.000 0.012 0.000 1.272 213 F CB -0.550 38.469 39.000 0.032 0.000 1.060 213 F HN 0.304 nan 8.300 nan 0.000 0.576 214 G N 2.431 111.272 108.800 0.068 0.000 2.314 214 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.292 214 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.292 214 G C 0.049 174.923 174.900 -0.043 0.000 1.059 214 G CA 0.586 45.658 45.100 -0.046 0.000 0.982 214 G HN 0.554 nan 8.290 nan 0.000 0.505 215 I N -3.639 116.940 120.570 0.014 0.000 2.957 215 I HA 0.842 5.012 4.170 -0.000 0.000 0.310 215 I C -2.152 174.025 176.117 0.100 0.000 1.063 215 I CA -3.422 57.912 61.300 0.058 0.000 1.033 215 I CB 1.685 39.773 38.000 0.146 0.000 1.230 215 I HN -0.092 nan 8.210 nan 0.000 0.447 219 F N 1.543 121.502 119.950 0.015 0.000 2.126 219 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 219 F C 1.813 177.621 175.800 0.013 0.000 1.096 219 F CA 2.128 60.140 58.000 0.019 0.000 1.255 219 F CB 0.468 39.476 39.000 0.013 0.000 0.997 219 F HN 0.247 nan 8.300 nan 0.000 0.479 220 E N 0.325 120.445 120.200 -0.133 0.000 2.267 220 E HA -0.168 4.182 4.350 -0.000 0.000 0.197 220 E C 2.035 178.508 176.600 -0.211 0.000 0.998 220 E CA 1.128 57.390 56.400 -0.230 0.000 0.830 220 E CB -0.201 29.469 29.700 -0.050 0.000 0.751 220 E HN 0.428 nan 8.360 nan 0.000 0.491 221 R N -0.582 119.845 120.500 -0.122 0.000 2.317 221 R HA 0.314 4.654 4.340 -0.000 0.000 0.208 221 R C 0.150 176.420 176.300 -0.050 0.000 0.914 221 R CA 0.252 56.317 56.100 -0.057 0.000 1.060 221 R CB 0.547 30.849 30.300 0.002 0.000 1.015 221 R HN -0.031 nan 8.270 nan 0.000 0.498 222 A N 1.074 123.818 122.820 -0.127 0.000 2.450 222 A HA 0.019 4.339 4.320 -0.000 0.000 0.255 222 A C -0.849 176.694 177.584 -0.069 0.000 1.096 222 A CA -0.155 51.838 52.037 -0.073 0.000 0.778 222 A CB -0.050 18.886 19.000 -0.106 0.000 1.031 222 A HN 0.317 nan 8.150 nan 0.000 0.494 223 Y N 2.799 123.066 120.300 -0.055 0.000 2.335 223 Y HA 0.441 4.990 4.550 -0.000 0.000 0.331 223 Y C 0.754 176.642 175.900 -0.020 0.000 1.094 223 Y CA 0.860 58.942 58.100 -0.030 0.000 1.253 223 Y CB 0.886 39.361 38.460 0.025 0.000 1.203 223 Y HN 0.767 nan 8.280 nan 0.000 0.508 224 T N 3.843 117.987 114.554 -0.684 0.000 2.886 224 T HA 0.512 4.862 4.350 -0.000 0.000 0.292 224 T C -1.284 173.065 174.700 -0.584 0.000 1.012 224 T CA -0.879 60.948 62.100 -0.454 0.000 0.982 224 T CB 1.696 70.395 68.868 -0.280 0.000 1.018 224 T HN 0.803 nan 8.240 nan 0.000 0.451 225 E N 1.923 121.971 120.200 -0.253 0.000 2.308 225 E HA 0.603 4.952 4.350 -0.000 0.000 0.275 225 E C -0.056 176.525 176.600 -0.031 0.000 0.890 225 E CA -0.935 55.394 56.400 -0.119 0.000 0.754 225 E CB 1.705 31.439 29.700 0.056 0.000 1.207 225 E HN 0.947 nan 8.360 nan 0.000 0.426 226 G N 2.110 110.884 108.800 -0.044 0.000 2.606 226 G HA2 0.372 4.331 3.960 -0.000 0.000 0.262 226 G HA3 0.372 4.331 3.960 -0.000 0.000 0.262 226 G C 0.744 175.613 174.900 -0.053 0.000 1.394 226 G CA -0.408 44.671 45.100 -0.034 0.000 1.044 226 G HN 0.648 nan 8.290 nan 0.000 0.553 227 I N -2.177 118.337 120.570 -0.094 0.000 4.057 227 I HA 0.155 4.325 4.170 -0.000 0.000 0.334 227 I C 2.019 177.835 176.117 -0.502 0.000 1.308 227 I CA 0.735 61.928 61.300 -0.178 0.000 1.125 227 I CB 0.652 38.619 38.000 -0.055 0.000 1.034 227 I HN 0.320 nan 8.210 nan 0.000 0.401 228 S N 0.527 115.871 115.700 -0.594 0.000 2.469 228 S HA -0.063 4.407 4.470 -0.000 0.000 0.238 228 S C 1.703 175.939 174.600 -0.606 0.000 0.998 228 S CA 0.658 58.247 58.200 -1.017 0.000 0.957 228 S CB -0.380 62.563 63.200 -0.429 0.000 0.764 228 S HN 0.501 nan 8.310 nan 0.000 0.514 229 Q N 0.156 119.759 119.800 -0.328 0.000 2.360 229 Q HA 0.381 4.721 4.340 -0.000 0.000 0.202 229 Q C -0.222 175.699 176.000 -0.132 0.000 0.915 229 Q CA -0.059 55.643 55.803 -0.168 0.000 0.943 229 Q CB -0.256 28.433 28.738 -0.082 0.000 1.064 229 Q HN 0.435 nan 8.270 nan 0.000 0.511 230 L N 1.999 123.106 121.223 -0.192 0.000 2.367 230 L HA 0.116 4.456 4.340 -0.000 0.000 0.275 230 L C 0.566 177.405 176.870 -0.052 0.000 1.129 230 L CA 0.433 55.213 54.840 -0.102 0.000 0.839 230 L CB 0.937 42.933 42.059 -0.105 0.000 1.133 230 L HN 0.060 nan 8.230 nan 0.000 0.453 231 T N 0.483 115.028 114.554 -0.016 0.000 2.948 231 T HA 0.471 4.821 4.350 -0.000 0.000 0.285 231 T C 1.277 175.962 174.700 -0.026 0.000 1.019 231 T CA -0.796 61.303 62.100 -0.001 0.000 1.013 231 T CB 1.050 69.923 68.868 0.008 0.000 1.117 231 T HN 0.499 nan 8.240 nan 0.000 0.533 232 R N 0.438 120.919 120.500 -0.032 0.000 2.091 232 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 232 R C 2.261 178.466 176.300 -0.159 0.000 1.136 232 R CA 1.723 57.781 56.100 -0.070 0.000 0.959 232 R CB -0.494 29.771 30.300 -0.059 0.000 0.856 232 R HN 0.718 nan 8.270 nan 0.000 0.437 233 E N 0.534 120.607 120.200 -0.210 0.000 2.085 233 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 233 E C 1.545 177.843 176.600 -0.504 0.000 0.994 233 E CA 1.494 57.595 56.400 -0.497 0.000 0.801 233 E CB -0.163 29.324 29.700 -0.355 0.000 0.743 233 E HN 0.281 nan 8.360 nan 0.000 0.453 234 D N -0.197 120.116 120.400 -0.145 0.000 2.097 234 D HA -0.121 4.518 4.640 -0.000 0.000 0.195 234 D C 2.025 178.235 176.300 -0.151 0.000 0.989 234 D CA 0.994 54.959 54.000 -0.058 0.000 0.827 234 D CB -0.345 40.424 40.800 -0.051 0.000 0.966 234 D HN 0.042 nan 8.370 nan 0.000 0.456 235 V N 0.968 120.803 119.914 -0.131 0.000 2.343 235 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 235 V C 2.560 178.605 176.094 -0.082 0.000 1.051 235 V CA 1.577 63.818 62.300 -0.099 0.000 1.036 235 V CB -0.440 31.341 31.823 -0.071 0.000 0.654 235 V HN 0.152 nan 8.190 nan 0.000 0.451 236 R N -1.111 119.308 120.500 -0.135 0.000 2.075 236 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 236 R C 2.442 178.751 176.300 0.015 0.000 1.126 236 R CA 1.711 57.748 56.100 -0.105 0.000 0.963 236 R CB -0.307 29.880 30.300 -0.190 0.000 0.858 236 R HN 0.504 nan 8.270 nan 0.000 0.435 237 Y N 0.329 120.658 120.300 0.049 0.000 2.181 237 Y HA -0.110 4.440 4.550 -0.000 0.000 0.288 237 Y C 2.446 178.401 175.900 0.092 0.000 1.146 237 Y CA 0.790 58.950 58.100 0.100 0.000 1.164 237 Y CB -1.036 37.546 38.460 0.203 0.000 0.982 237 Y HN 0.187 nan 8.280 nan 0.000 0.515 238 A N 0.041 122.948 122.820 0.145 0.000 1.902 238 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 238 A C 2.220 179.900 177.584 0.159 0.000 1.181 238 A CA 1.931 54.015 52.037 0.078 0.000 0.623 238 A CB -0.792 18.156 19.000 -0.086 0.000 0.818 238 A HN 0.457 nan 8.150 nan 0.000 0.443 239 E N 0.258 120.517 120.200 0.098 0.000 2.058 239 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 239 E C 1.817 178.475 176.600 0.098 0.000 0.997 239 E CA 1.877 58.324 56.400 0.078 0.000 0.801 239 E CB -0.269 29.453 29.700 0.037 0.000 0.746 239 E HN 0.724 nan 8.360 nan 0.000 0.450 240 E N -0.211 120.065 120.200 0.127 0.000 2.204 240 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 240 E C 1.858 178.540 176.600 0.137 0.000 0.989 240 E CA 0.851 57.326 56.400 0.124 0.000 0.824 240 E CB -0.023 29.769 29.700 0.153 0.000 0.756 240 E HN 0.345 nan 8.360 nan 0.000 0.477 241 L N -0.674 120.669 121.223 0.200 0.000 2.591 241 L HA 0.164 4.503 4.340 -0.000 0.000 0.228 241 L C 1.166 178.196 176.870 0.265 0.000 1.133 241 L CA 0.344 55.338 54.840 0.256 0.000 0.880 241 L CB 0.278 42.527 42.059 0.316 0.000 1.033 241 L HN 0.308 nan 8.230 nan 0.000 0.450 242 G N -1.142 107.739 108.800 0.135 0.000 2.138 242 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.193 242 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.193 242 G C -0.309 174.396 174.900 -0.326 0.000 0.998 242 G CA -0.582 44.450 45.100 -0.114 0.000 0.668 242 G HN 0.244 nan 8.290 nan 0.000 0.516 243 Y N -0.476 119.831 120.300 0.013 0.000 2.570 243 Y HA 0.834 5.384 4.550 -0.000 0.000 0.345 243 Y C 0.566 176.458 175.900 -0.014 0.000 1.014 243 Y CA -1.285 56.815 58.100 -0.001 0.000 1.063 243 Y CB 1.331 39.789 38.460 -0.004 0.000 1.272 243 Y HN 0.017 nan 8.280 nan 0.000 0.477 244 R N 1.776 122.361 120.500 0.142 0.000 2.732 244 R HA 0.595 4.935 4.340 -0.000 0.000 0.278 244 R C -1.274 175.065 176.300 0.065 0.000 0.976 244 R CA -0.906 55.238 56.100 0.072 0.000 0.963 244 R CB 1.815 32.140 30.300 0.041 0.000 1.150 244 R HN 0.690 nan 8.270 nan 0.000 0.478 245 I N 2.611 123.193 120.570 0.021 0.000 2.339 245 I HA 0.339 4.508 4.170 -0.000 0.000 0.290 245 I C 0.150 176.278 176.117 0.019 0.000 0.994 245 I CA -0.637 60.665 61.300 0.004 0.000 1.191 245 I CB 1.081 39.057 38.000 -0.040 0.000 1.343 245 I HN 0.061 nan 8.210 nan 0.000 0.458 246 K N 5.753 126.172 120.400 0.032 0.000 2.385 246 K HA 0.483 4.803 4.320 -0.000 0.000 0.248 246 K C -0.978 175.644 176.600 0.037 0.000 0.955 246 K CA -0.905 55.405 56.287 0.039 0.000 0.816 246 K CB 2.918 35.446 32.500 0.048 0.000 1.250 246 K HN 0.423 nan 8.250 nan 0.000 0.434 247 L N 4.176 125.421 121.223 0.037 0.000 2.295 247 L HA 0.323 4.663 4.340 -0.000 0.000 0.288 247 L C -0.909 175.963 176.870 0.003 0.000 1.079 247 L CA -0.145 54.709 54.840 0.024 0.000 0.830 247 L CB -0.312 41.769 42.059 0.035 0.000 1.200 247 L HN 0.457 nan 8.230 nan 0.000 0.438 248 L N 4.050 125.244 121.223 -0.049 0.000 2.334 248 L HA 0.553 4.893 4.340 -0.000 0.000 0.276 248 L C 0.497 177.295 176.870 -0.121 0.000 1.014 248 L CA -0.694 54.108 54.840 -0.063 0.000 0.815 248 L CB 2.075 44.092 42.059 -0.070 0.000 1.268 248 L HN 0.626 nan 8.230 nan 0.000 0.428 249 G N 3.643 112.419 108.800 -0.040 0.000 2.322 249 G HA2 0.638 4.598 3.960 -0.000 0.000 0.309 249 G HA3 0.638 4.598 3.960 -0.000 0.000 0.309 249 G C -0.802 174.108 174.900 0.018 0.000 1.121 249 G CA -0.306 44.782 45.100 -0.020 0.000 0.886 249 G HN 0.428 nan 8.290 nan 0.000 0.447 250 I N 1.702 122.280 120.570 0.013 0.000 2.406 250 I HA 0.546 4.715 4.170 -0.000 0.000 0.290 250 I C 0.214 176.425 176.117 0.157 0.000 0.999 250 I CA -0.686 60.668 61.300 0.090 0.000 1.124 250 I CB 2.245 40.268 38.000 0.038 0.000 1.289 250 I HN 0.539 nan 8.210 nan 0.000 0.441 251 A N 7.129 130.097 122.820 0.248 0.000 2.319 251 A HA 0.868 5.188 4.320 -0.000 0.000 0.310 251 A C -0.607 177.295 177.584 0.530 0.000 1.152 251 A CA -0.583 51.674 52.037 0.366 0.000 0.783 251 A CB 1.167 20.373 19.000 0.343 0.000 1.184 251 A HN 0.780 nan 8.150 nan 0.000 0.474 252 R N 2.159 122.888 120.500 0.382 0.000 2.584 252 R HA 0.413 4.753 4.340 -0.000 0.000 0.276 252 R C -1.145 175.110 176.300 -0.075 0.000 1.046 252 R CA -0.676 55.581 56.100 0.261 0.000 0.906 252 R CB 1.386 31.792 30.300 0.177 0.000 1.215 252 R HN 0.831 nan 8.270 nan 0.000 0.449 253 R N 2.382 122.765 120.500 -0.195 0.000 2.296 253 R HA 0.335 4.675 4.340 -0.000 0.000 0.323 253 R C -0.254 175.995 176.300 -0.084 0.000 1.067 253 R CA 0.079 56.022 56.100 -0.261 0.000 0.946 253 R CB 1.255 31.407 30.300 -0.247 0.000 0.991 253 R HN 0.580 nan 8.270 nan 0.000 0.448 254 A N 2.735 125.505 122.820 -0.082 0.000 2.352 254 A HA 0.512 4.831 4.320 -0.000 0.000 0.299 254 A C 1.320 178.880 177.584 -0.040 0.000 1.160 254 A CA 0.052 52.063 52.037 -0.043 0.000 0.933 254 A CB 0.263 19.242 19.000 -0.036 0.000 1.387 254 A HN 0.761 nan 8.150 nan 0.000 0.487 255 E N -0.079 120.106 120.200 -0.025 0.000 2.058 255 E HA -0.196 4.153 4.350 -0.000 0.000 0.194 255 E C 1.030 177.617 176.600 -0.023 0.000 0.997 255 E CA 1.947 58.335 56.400 -0.020 0.000 0.801 255 E CB -0.568 29.124 29.700 -0.013 0.000 0.746 255 E HN 0.605 nan 8.360 nan 0.000 0.450 256 N N -0.380 118.306 118.700 -0.023 0.000 2.187 256 N HA 0.342 5.081 4.740 -0.000 0.000 0.212 256 N C 0.408 175.903 175.510 -0.025 0.000 1.152 256 N CA 0.793 53.831 53.050 -0.020 0.000 0.872 256 N CB 1.732 40.210 38.487 -0.014 0.000 1.025 256 N HN 0.507 nan 8.380 nan 0.000 0.514 257 G N -0.009 108.769 108.800 -0.037 0.000 2.341 257 G HA2 0.421 4.381 3.960 -0.000 0.000 0.299 257 G HA3 0.421 4.381 3.960 -0.000 0.000 0.299 257 G C -1.802 173.056 174.900 -0.071 0.000 1.274 257 G CA -0.716 44.358 45.100 -0.043 0.000 0.853 257 G HN -0.008 nan 8.290 nan 0.000 0.493 258 I N 1.114 121.647 120.570 -0.062 0.000 2.377 258 I HA 0.302 4.472 4.170 -0.000 0.000 0.293 258 I C -0.053 176.065 176.117 0.001 0.000 0.987 258 I CA -0.501 60.750 61.300 -0.082 0.000 1.185 258 I CB 1.843 39.785 38.000 -0.097 0.000 1.341 258 I HN 0.421 nan 8.210 nan 0.000 0.455 259 E N 6.108 126.320 120.200 0.020 0.000 2.313 259 E HA 0.396 4.746 4.350 -0.000 0.000 0.276 259 E C -1.020 175.656 176.600 0.126 0.000 1.031 259 E CA -0.530 55.908 56.400 0.064 0.000 0.857 259 E CB 1.591 31.324 29.700 0.056 0.000 1.040 259 E HN 0.198 nan 8.360 nan 0.000 0.408 260 L N 4.252 125.550 121.223 0.124 0.000 2.518 260 L HA 0.326 4.666 4.340 -0.000 0.000 0.262 260 L C -1.385 175.571 176.870 0.143 0.000 0.982 260 L CA -0.201 54.725 54.840 0.143 0.000 0.873 260 L CB 0.718 42.858 42.059 0.135 0.000 1.198 260 L HN 0.588 nan 8.230 nan 0.000 0.427 261 R N 3.741 124.326 120.500 0.142 0.000 2.566 261 R HA 0.830 5.169 4.340 -0.000 0.000 0.271 261 R C -2.036 174.308 176.300 0.073 0.000 1.071 261 R CA -0.944 55.277 56.100 0.201 0.000 0.915 261 R CB 1.794 32.267 30.300 0.288 0.000 1.228 261 R HN 0.183 nan 8.270 nan 0.000 0.449 262 V N 4.176 124.146 119.914 0.093 0.000 2.487 262 V HA 0.585 4.705 4.120 -0.000 0.000 0.298 262 V C -0.352 175.771 176.094 0.047 0.000 1.028 262 V CA -0.320 61.955 62.300 -0.043 0.000 0.860 262 V CB 1.346 33.150 31.823 -0.032 0.000 0.991 262 V HN 0.981 nan 8.190 nan 0.000 0.427 263 H N 3.386 122.514 119.070 0.098 0.000 3.024 263 H HA 0.456 5.012 4.556 -0.000 0.000 0.324 263 H C -3.320 172.040 175.328 0.054 0.000 1.347 263 H CA -2.140 53.968 56.048 0.101 0.000 1.182 263 H CB 1.809 31.686 29.762 0.192 0.000 1.889 263 H HN 0.324 nan 8.280 nan 0.000 0.528 264 P HA 0.062 nan 4.420 nan 0.000 0.266 264 P C 0.032 177.464 177.300 0.219 0.000 1.195 264 P CA 0.585 63.767 63.100 0.137 0.000 0.768 264 P CB 0.805 32.548 31.700 0.071 0.000 0.838 265 T N 2.064 116.696 114.554 0.130 0.000 2.956 265 T HA 0.419 4.769 4.350 -0.000 0.000 0.312 265 T C -1.142 173.583 174.700 0.041 0.000 1.151 265 T CA -0.728 61.442 62.100 0.117 0.000 1.024 265 T CB 0.515 69.490 68.868 0.178 0.000 1.140 265 T HN -0.045 nan 8.240 nan 0.000 0.473 266 L N 4.539 125.759 121.223 -0.005 0.000 2.319 266 L HA 0.588 4.928 4.340 -0.000 0.000 0.280 266 L C -0.163 176.803 176.870 0.160 0.000 1.099 266 L CA 0.020 54.868 54.840 0.012 0.000 0.828 266 L CB 0.676 42.605 42.059 -0.217 0.000 1.150 266 L HN 0.606 nan 8.230 nan 0.000 0.442 267 I N 5.033 125.745 120.570 0.237 0.000 2.465 267 I HA 0.393 4.562 4.170 -0.000 0.000 0.291 267 I C -2.245 173.988 176.117 0.194 0.000 1.014 267 I CA -2.286 59.138 61.300 0.207 0.000 1.093 267 I CB 1.901 39.962 38.000 0.102 0.000 1.267 267 I HN 0.370 nan 8.210 nan 0.000 0.431 268 P HA -0.048 nan 4.420 nan 0.000 0.264 268 P C 0.474 177.688 177.300 -0.143 0.000 1.183 268 P CA 0.066 62.992 63.100 -0.290 0.000 0.763 268 P CB 0.423 31.979 31.700 -0.240 0.000 0.807 269 E N 4.839 124.934 120.200 -0.175 0.000 2.265 269 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 269 E C 1.382 177.943 176.600 -0.065 0.000 0.996 269 E CA 0.736 57.086 56.400 -0.084 0.000 0.832 269 E CB -0.360 29.295 29.700 -0.076 0.000 0.756 269 E HN 0.449 nan 8.360 nan 0.000 0.491 270 R N 0.900 121.353 120.500 -0.079 0.000 2.148 270 R HA 0.023 4.363 4.340 -0.000 0.000 0.227 270 R C 0.674 176.953 176.300 -0.034 0.000 1.103 270 R CA 0.199 56.266 56.100 -0.055 0.000 0.983 270 R CB -0.343 29.922 30.300 -0.058 0.000 0.874 270 R HN -0.083 nan 8.270 nan 0.000 0.451 271 R N 1.631 122.117 120.500 -0.024 0.000 2.570 271 R HA 0.034 4.374 4.340 -0.000 0.000 0.277 271 R C 1.452 177.752 176.300 -0.001 0.000 1.039 271 R CA -0.052 56.049 56.100 0.002 0.000 1.065 271 R CB 0.334 30.649 30.300 0.026 0.000 0.964 271 R HN 0.229 nan 8.270 nan 0.000 0.428 272 L N 2.327 123.548 121.223 -0.003 0.000 2.042 272 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 272 L C 2.363 179.234 176.870 0.001 0.000 1.076 272 L CA 1.484 56.310 54.840 -0.022 0.000 0.749 272 L CB -0.349 41.684 42.059 -0.043 0.000 0.893 272 L HN 0.636 nan 8.230 nan 0.000 0.432 273 I N 0.006 120.600 120.570 0.039 0.000 2.454 273 I HA -0.273 3.897 4.170 -0.000 0.000 0.254 273 I C 2.550 178.706 176.117 0.065 0.000 1.156 273 I CA 1.069 62.413 61.300 0.074 0.000 1.433 273 I CB 0.023 38.086 38.000 0.105 0.000 1.082 273 I HN 0.198 nan 8.210 nan 0.000 0.432 274 A N 0.214 123.062 122.820 0.046 0.000 2.067 274 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 274 A C 1.693 179.293 177.584 0.028 0.000 1.158 274 A CA 1.377 53.437 52.037 0.038 0.000 0.661 274 A CB -0.485 18.530 19.000 0.025 0.000 0.801 274 A HN 0.552 nan 8.150 nan 0.000 0.452 275 N N 0.009 118.719 118.700 0.017 0.000 2.251 275 N HA 0.122 4.861 4.740 -0.000 0.000 0.217 275 N C -0.636 174.891 175.510 0.027 0.000 1.124 275 N CA 0.093 53.147 53.050 0.007 0.000 0.843 275 N CB 0.988 39.464 38.487 -0.019 0.000 1.024 275 N HN 0.156 nan 8.380 nan 0.000 0.501 276 V N 2.439 122.394 119.914 0.069 0.000 2.338 276 V HA 0.121 4.241 4.120 -0.000 0.000 0.255 276 V C -0.132 176.042 176.094 0.133 0.000 1.082 276 V CA -0.032 62.359 62.300 0.152 0.000 0.951 276 V CB 0.353 32.307 31.823 0.220 0.000 1.102 276 V HN 0.029 nan 8.190 nan 0.000 0.489 277 D N 2.620 123.095 120.400 0.125 0.000 2.449 277 D HA 0.754 5.393 4.640 -0.000 0.000 0.250 277 D C 0.757 177.114 176.300 0.095 0.000 1.050 277 D CA 0.778 54.823 54.000 0.074 0.000 1.024 277 D CB 1.699 42.515 40.800 0.025 0.000 1.218 277 D HN 0.664 nan 8.370 nan 0.000 0.566 278 G N -0.186 108.649 108.800 0.058 0.000 2.528 278 G HA2 0.086 4.046 3.960 -0.000 0.000 0.262 278 G HA3 0.086 4.046 3.960 -0.000 0.000 0.262 278 G C 0.141 175.175 174.900 0.223 0.000 1.200 278 G CA 0.232 45.423 45.100 0.152 0.000 0.951 278 G HN 0.844 nan 8.290 nan 0.000 0.566 282 A N 0.171 123.056 122.820 0.109 0.000 2.517 282 A HA 0.720 5.040 4.320 -0.000 0.000 0.297 282 A C -1.637 176.043 177.584 0.160 0.000 1.050 282 A CA -0.492 51.652 52.037 0.178 0.000 0.694 282 A CB 1.241 20.394 19.000 0.256 0.000 1.277 282 A HN 0.292 nan 8.150 nan 0.000 0.400 283 V N 2.430 122.461 119.914 0.194 0.000 2.444 283 V HA 0.529 4.649 4.120 -0.000 0.000 0.294 283 V C -0.712 175.520 176.094 0.230 0.000 1.022 283 V CA -0.508 61.905 62.300 0.187 0.000 0.850 283 V CB 1.355 33.264 31.823 0.142 0.000 0.992 283 V HN 0.852 nan 8.190 nan 0.000 0.426 284 L N 6.961 128.293 121.223 0.183 0.000 2.272 284 L HA 0.718 5.057 4.340 -0.000 0.000 0.289 284 L C -0.497 176.407 176.870 0.057 0.000 1.032 284 L CA 0.178 55.099 54.840 0.137 0.000 0.810 284 L CB 1.502 43.670 42.059 0.182 0.000 1.205 284 L HN 0.458 nan 8.230 nan 0.000 0.422 285 V N 4.722 124.628 119.914 -0.015 0.000 2.487 285 V HA 0.488 4.608 4.120 -0.000 0.000 0.298 285 V C -0.417 175.474 176.094 -0.338 0.000 1.028 285 V CA -0.833 61.393 62.300 -0.124 0.000 0.860 285 V CB 1.594 33.441 31.823 0.040 0.000 0.991 285 V HN 0.721 nan 8.190 nan 0.000 0.427 286 K N 3.611 123.629 120.400 -0.636 0.000 2.334 286 K HA 0.676 4.996 4.320 -0.000 0.000 0.265 286 K C 0.040 176.431 176.600 -0.348 0.000 1.039 286 K CA -0.014 55.858 56.287 -0.690 0.000 0.920 286 K CB 1.001 32.617 32.500 -1.474 0.000 1.160 286 K HN 0.849 nan 8.250 nan 0.000 0.451 287 G N 2.294 110.982 108.800 -0.188 0.000 2.417 287 G HA2 0.160 4.120 3.960 -0.000 0.000 0.334 287 G HA3 0.160 4.120 3.960 -0.000 0.000 0.334 287 G C 0.141 175.006 174.900 -0.058 0.000 1.150 287 G CA -0.658 44.390 45.100 -0.087 0.000 0.923 287 G HN 0.764 nan 8.290 nan 0.000 0.485 288 D N 0.465 120.852 120.400 -0.021 0.000 2.149 288 D HA -0.069 4.571 4.640 -0.000 0.000 0.201 288 D C 2.102 178.398 176.300 -0.006 0.000 0.972 288 D CA 1.213 55.210 54.000 -0.005 0.000 0.835 288 D CB -0.260 40.547 40.800 0.012 0.000 0.966 288 D HN 0.355 nan 8.370 nan 0.000 0.476 289 A N 0.457 123.272 122.820 -0.007 0.000 1.911 289 A HA 0.121 4.441 4.320 -0.000 0.000 0.212 289 A C 2.328 179.905 177.584 -0.011 0.000 1.189 289 A CA 0.977 53.010 52.037 -0.006 0.000 0.639 289 A CB -0.488 18.510 19.000 -0.003 0.000 0.839 289 A HN 0.174 nan 8.150 nan 0.000 0.449 290 V N -1.214 118.689 119.914 -0.018 0.000 3.174 290 V HA 0.385 4.504 4.120 -0.000 0.000 0.254 290 V C 1.308 177.381 176.094 -0.034 0.000 1.120 290 V CA 1.594 63.881 62.300 -0.021 0.000 1.114 290 V CB -0.636 31.178 31.823 -0.014 0.000 0.756 290 V HN 1.282 nan 8.190 nan 0.000 0.467 291 G N 1.049 109.821 108.800 -0.047 0.000 2.584 291 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.229 291 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.229 291 G C -2.647 172.189 174.900 -0.107 0.000 1.320 291 G CA -0.217 44.848 45.100 -0.060 0.000 0.891 291 G HN 0.376 nan 8.290 nan 0.000 0.573 292 P HA 0.437 nan 4.420 nan 0.000 0.281 292 P C -0.013 177.221 177.300 -0.111 0.000 1.252 292 P CA 0.626 63.639 63.100 -0.144 0.000 0.778 292 P CB 1.123 32.774 31.700 -0.082 0.000 0.895 293 T N 1.119 115.602 114.554 -0.118 0.000 2.893 293 T HA 0.717 5.067 4.350 -0.000 0.000 0.291 293 T C -0.826 173.738 174.700 -0.226 0.000 1.028 293 T CA -0.912 61.082 62.100 -0.177 0.000 0.995 293 T CB 1.420 70.194 68.868 -0.156 0.000 1.051 293 T HN 0.310 nan 8.240 nan 0.000 0.470 294 L N 2.218 123.195 121.223 -0.410 0.000 2.386 294 L HA 0.688 5.028 4.340 -0.000 0.000 0.271 294 L C -1.859 174.690 176.870 -0.535 0.000 0.993 294 L CA -1.131 53.539 54.840 -0.283 0.000 0.819 294 L CB 1.588 43.587 42.059 -0.100 0.000 1.294 294 L HN 0.821 nan 8.230 nan 0.000 0.414 295 Y N 4.312 124.654 120.300 0.069 0.000 2.331 295 Y HA 0.473 5.023 4.550 -0.000 0.000 0.334 295 Y C -0.948 175.039 175.900 0.145 0.000 0.960 295 Y CA -0.586 57.565 58.100 0.084 0.000 1.130 295 Y CB 1.523 40.008 38.460 0.041 0.000 1.164 295 Y HN 0.474 nan 8.280 nan 0.000 0.458 296 Y N 2.005 122.370 120.300 0.108 0.000 2.477 296 Y HA 0.895 5.444 4.550 -0.000 0.000 0.347 296 Y C -0.248 175.694 175.900 0.070 0.000 0.981 296 Y CA -0.615 57.530 58.100 0.075 0.000 1.033 296 Y CB 2.101 40.584 38.460 0.037 0.000 1.245 296 Y HN 0.769 nan 8.280 nan 0.000 0.455 297 G N 1.830 110.189 108.800 -0.734 0.000 2.336 297 G HA2 0.467 4.426 3.960 -0.000 0.000 0.286 297 G HA3 0.467 4.426 3.960 -0.000 0.000 0.286 297 G C -1.765 172.881 174.900 -0.424 0.000 1.269 297 G CA -0.492 44.252 45.100 -0.594 0.000 0.873 297 G HN 1.057 nan 8.290 nan 0.000 0.494 298 A N -0.661 122.029 122.820 -0.217 0.000 2.401 298 A HA 0.622 4.941 4.320 -0.000 0.000 0.259 298 A C 1.246 178.788 177.584 -0.071 0.000 1.103 298 A CA 0.939 52.907 52.037 -0.116 0.000 0.789 298 A CB 0.718 19.682 19.000 -0.061 0.000 1.035 298 A HN 2.113 nan 8.150 nan 0.000 0.491 299 G N 0.251 109.028 108.800 -0.038 0.000 3.192 299 G HA2 0.532 4.491 3.960 -0.000 0.000 0.239 299 G HA3 0.532 4.491 3.960 -0.000 0.000 0.239 299 G C 0.304 175.210 174.900 0.011 0.000 1.084 299 G CA 0.998 46.094 45.100 -0.007 0.000 0.784 299 G HN 1.395 nan 8.290 nan 0.000 0.540 300 A N -1.328 121.495 122.820 0.006 0.000 2.593 300 A HA 0.945 5.264 4.320 -0.000 0.000 0.304 300 A C 0.231 177.814 177.584 -0.002 0.000 1.233 300 A CA 0.064 52.106 52.037 0.009 0.000 0.661 300 A CB 0.615 19.626 19.000 0.018 0.000 1.338 300 A HN 1.923 nan 8.150 nan 0.000 0.495 301 G N -1.316 107.480 108.800 -0.007 0.000 2.690 301 G HA2 0.283 4.242 3.960 -0.000 0.000 0.686 301 G HA3 0.283 4.242 3.960 -0.000 0.000 0.686 301 G C 0.734 175.624 174.900 -0.015 0.000 1.277 301 G CA 0.572 45.662 45.100 -0.017 0.000 0.799 301 G HN 2.030 nan 8.290 nan 0.000 0.613 302 S N -0.400 115.288 115.700 -0.020 0.000 2.378 302 S HA -0.132 4.337 4.470 -0.000 0.000 0.221 302 S C 1.993 176.585 174.600 -0.014 0.000 1.037 302 S CA 2.341 60.530 58.200 -0.018 0.000 1.069 302 S CB -0.289 62.898 63.200 -0.023 0.000 1.006 302 S HN 0.685 nan 8.310 nan 0.000 0.423 303 E N 0.472 120.664 120.200 -0.013 0.000 2.170 303 E HA 0.010 4.360 4.350 -0.000 0.000 0.191 303 E C -0.637 175.957 176.600 -0.010 0.000 0.981 303 E CA 0.718 57.112 56.400 -0.011 0.000 0.830 303 E CB -0.728 28.966 29.700 -0.010 0.000 0.775 303 E HN 0.499 nan 8.360 nan 0.000 0.470 304 P HA -0.124 nan 4.420 nan 0.000 0.215 304 P C 1.301 178.596 177.300 -0.008 0.000 1.153 304 P CA 1.473 64.566 63.100 -0.011 0.000 0.853 304 P CB -0.024 31.668 31.700 -0.014 0.000 0.788 305 T N -0.639 113.912 114.554 -0.005 0.000 2.777 305 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 305 T C 1.944 176.642 174.700 -0.003 0.000 1.040 305 T CA 1.448 63.547 62.100 -0.000 0.000 1.141 305 T CB -0.992 67.878 68.868 0.004 0.000 0.868 305 T HN 0.030 nan 8.240 nan 0.000 0.444 306 A N 1.413 124.229 122.820 -0.006 0.000 1.908 306 A HA -0.137 4.182 4.320 -0.000 0.000 0.218 306 A C 2.565 180.142 177.584 -0.011 0.000 1.181 306 A CA 2.176 54.208 52.037 -0.008 0.000 0.627 306 A CB -1.169 17.825 19.000 -0.010 0.000 0.818 306 A HN 0.459 nan 8.150 nan 0.000 0.445 307 S N -0.374 115.319 115.700 -0.011 0.000 2.374 307 S HA -0.118 4.352 4.470 -0.000 0.000 0.227 307 S C 2.121 176.711 174.600 -0.018 0.000 1.037 307 S CA 1.857 60.049 58.200 -0.013 0.000 1.024 307 S CB -0.470 62.723 63.200 -0.011 0.000 0.861 307 S HN 0.881 nan 8.310 nan 0.000 0.456 308 A N 0.499 123.309 122.820 -0.016 0.000 1.929 308 A HA 0.099 4.418 4.320 -0.000 0.000 0.216 308 A C 2.327 179.896 177.584 -0.025 0.000 1.176 308 A CA 1.401 53.425 52.037 -0.023 0.000 0.628 308 A CB -0.844 18.147 19.000 -0.015 0.000 0.816 308 A HN 0.452 nan 8.150 nan 0.000 0.444 309 V N -0.269 119.636 119.914 -0.015 0.000 2.287 309 V HA -0.239 3.880 4.120 -0.000 0.000 0.248 309 V C 2.547 178.628 176.094 -0.023 0.000 1.053 309 V CA 2.135 64.427 62.300 -0.014 0.000 1.027 309 V CB -0.781 31.038 31.823 -0.006 0.000 0.646 309 V HN 0.368 nan 8.190 nan 0.000 0.447 310 V N 0.122 120.022 119.914 -0.023 0.000 2.453 310 V HA -0.181 3.938 4.120 -0.000 0.000 0.247 310 V C 2.682 178.755 176.094 -0.036 0.000 1.048 310 V CA 1.682 63.966 62.300 -0.027 0.000 1.049 310 V CB -1.046 30.764 31.823 -0.022 0.000 0.672 310 V HN 0.546 nan 8.190 nan 0.000 0.457 311 A N 0.037 122.834 122.820 -0.038 0.000 1.908 311 A HA -0.282 4.037 4.320 -0.000 0.000 0.218 311 A C 2.003 179.549 177.584 -0.063 0.000 1.181 311 A CA 2.231 54.239 52.037 -0.048 0.000 0.627 311 A CB -0.651 18.320 19.000 -0.049 0.000 0.818 311 A HN 0.517 nan 8.150 nan 0.000 0.445 312 D N -0.091 120.270 120.400 -0.065 0.000 2.097 312 D HA -0.103 4.537 4.640 -0.000 0.000 0.195 312 D C 1.952 178.210 176.300 -0.070 0.000 0.989 312 D CA 0.977 54.930 54.000 -0.077 0.000 0.827 312 D CB -0.369 40.389 40.800 -0.070 0.000 0.966 312 D HN 0.437 nan 8.370 nan 0.000 0.456 313 L N 0.167 121.358 121.223 -0.053 0.000 2.043 313 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 313 L C 2.511 179.342 176.870 -0.066 0.000 1.075 313 L CA 0.790 55.599 54.840 -0.053 0.000 0.752 313 L CB -0.451 41.586 42.059 -0.037 0.000 0.891 313 L HN -0.014 nan 8.230 nan 0.000 0.432 314 V N -0.403 119.474 119.914 -0.062 0.000 2.295 314 V HA -0.293 3.826 4.120 -0.000 0.000 0.246 314 V C 2.148 178.193 176.094 -0.082 0.000 1.049 314 V CA 1.971 64.233 62.300 -0.064 0.000 1.024 314 V CB -0.562 31.229 31.823 -0.054 0.000 0.648 314 V HN 0.429 nan 8.190 nan 0.000 0.447 315 D N 0.122 120.467 120.400 -0.092 0.000 2.123 315 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 315 D C 2.149 178.361 176.300 -0.147 0.000 0.992 315 D CA 1.416 55.348 54.000 -0.114 0.000 0.833 315 D CB -0.406 40.324 40.800 -0.117 0.000 0.954 315 D HN 0.324 nan 8.370 nan 0.000 0.455 316 V N 0.733 120.556 119.914 -0.153 0.000 2.358 316 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 316 V C 2.503 178.467 176.094 -0.216 0.000 1.047 316 V CA 1.847 64.012 62.300 -0.225 0.000 1.035 316 V CB -0.756 30.938 31.823 -0.216 0.000 0.658 316 V HN 0.217 nan 8.190 nan 0.000 0.452 317 T N -0.256 114.217 114.554 -0.136 0.000 2.684 317 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 317 T C 2.075 176.744 174.700 -0.052 0.000 1.036 317 T CA 1.666 63.724 62.100 -0.070 0.000 1.148 317 T CB -0.238 68.596 68.868 -0.057 0.000 0.863 317 T HN 0.416 nan 8.240 nan 0.000 0.436 318 R N 0.364 120.811 120.500 -0.088 0.000 2.080 318 R HA 0.019 4.359 4.340 -0.000 0.000 0.236 318 R C 2.491 178.711 176.300 -0.134 0.000 1.137 318 R CA 1.232 57.276 56.100 -0.095 0.000 0.943 318 R CB -0.517 29.724 30.300 -0.098 0.000 0.846 318 R HN 0.339 nan 8.270 nan 0.000 0.431 319 L N -0.836 120.263 121.223 -0.207 0.000 2.156 319 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 319 L C 2.500 179.193 176.870 -0.296 0.000 1.095 319 L CA 1.025 55.658 54.840 -0.344 0.000 0.770 319 L CB -0.402 41.305 42.059 -0.588 0.000 0.914 319 L HN 0.293 nan 8.230 nan 0.000 0.439 320 H N -0.136 118.765 119.070 -0.281 0.000 2.319 320 H HA -0.180 4.376 4.556 -0.000 0.000 0.299 320 H C 2.086 177.365 175.328 -0.082 0.000 1.092 320 H CA 2.390 58.355 56.048 -0.139 0.000 1.302 320 H CB -0.016 29.676 29.762 -0.117 0.000 1.373 320 H HN 0.104 nan 8.280 nan 0.000 0.497 321 T N -0.020 114.445 114.554 -0.147 0.000 2.809 321 T HA 0.032 4.381 4.350 -0.000 0.000 0.260 321 T C 2.253 176.860 174.700 -0.155 0.000 1.039 321 T CA 1.114 63.115 62.100 -0.164 0.000 1.141 321 T CB -0.614 68.220 68.868 -0.056 0.000 0.869 321 T HN 0.530 nan 8.240 nan 0.000 0.437 322 A N 1.164 123.906 122.820 -0.130 0.000 1.873 322 A HA -0.015 4.305 4.320 -0.000 0.000 0.215 322 A C 1.504 179.027 177.584 -0.102 0.000 1.186 322 A CA 1.494 53.470 52.037 -0.101 0.000 0.616 322 A CB -0.235 18.708 19.000 -0.096 0.000 0.823 322 A HN 0.432 nan 8.150 nan 0.000 0.442 323 D N -2.072 118.253 120.400 -0.126 0.000 2.861 323 D HA 0.233 4.873 4.640 -0.000 0.000 0.357 323 D C -1.916 174.355 176.300 -0.048 0.000 1.250 323 D CA -1.391 52.578 54.000 -0.052 0.000 0.802 323 D CB 0.765 41.578 40.800 0.022 0.000 1.141 323 D HN 0.139 nan 8.370 nan 0.000 0.489 324 P HA -0.123 nan 4.420 nan 0.000 0.226 324 P C 0.597 177.838 177.300 -0.098 0.000 1.153 324 P CA 0.815 63.796 63.100 -0.198 0.000 0.777 324 P CB 0.179 31.646 31.700 -0.389 0.000 0.794 325 H N -1.482 117.661 119.070 0.122 0.000 2.539 325 H HA 0.103 4.658 4.556 -0.000 0.000 0.269 325 H C 0.240 175.690 175.328 0.203 0.000 0.980 325 H CA -0.017 56.123 56.048 0.153 0.000 1.152 325 H CB -0.883 28.928 29.762 0.081 0.000 1.407 325 H HN 0.377 nan 8.280 nan 0.000 0.564 326 H N 0.292 119.400 119.070 0.064 0.000 2.748 326 H HA -0.135 4.420 4.556 -0.000 0.000 0.322 326 H C 1.217 176.559 175.328 0.024 0.000 1.208 326 H CA 0.373 56.374 56.048 -0.079 0.000 1.151 326 H CB -0.872 28.776 29.762 -0.191 0.000 1.505 326 H HN 0.448 nan 8.280 nan 0.000 0.429 327 R N 0.160 120.747 120.500 0.146 0.000 2.148 327 R HA -0.002 4.338 4.340 -0.000 0.000 0.227 327 R C 1.335 177.691 176.300 0.094 0.000 1.103 327 R CA 1.532 57.698 56.100 0.110 0.000 0.983 327 R CB 0.386 30.742 30.300 0.094 0.000 0.874 327 R HN 0.242 nan 8.270 nan 0.000 0.451 328 V N -2.099 117.886 119.914 0.118 0.000 2.960 328 V HA 0.549 4.669 4.120 -0.000 0.000 0.315 328 V C -2.768 173.425 176.094 0.165 0.000 1.087 328 V CA -3.187 59.183 62.300 0.116 0.000 0.982 328 V CB 2.084 33.963 31.823 0.093 0.000 1.039 328 V HN -0.162 nan 8.190 nan 0.000 0.437 329 P HA 0.387 nan 4.420 nan 0.000 0.271 329 P C -0.209 177.251 177.300 0.267 0.000 1.216 329 P CA 0.190 63.379 63.100 0.149 0.000 0.776 329 P CB 0.319 32.071 31.700 0.087 0.000 0.881 330 H N 0.714 119.820 119.070 0.060 0.000 2.481 330 H HA 0.197 4.753 4.556 -0.000 0.000 0.291 330 H C 0.513 175.865 175.328 0.041 0.000 1.009 330 H CA -0.241 55.819 56.048 0.021 0.000 1.282 330 H CB 0.241 30.011 29.762 0.012 0.000 1.457 330 H HN 0.190 nan 8.280 nan 0.000 0.525 331 L N 1.445 122.799 121.223 0.218 0.000 2.416 331 L HA 0.083 4.423 4.340 -0.000 0.000 0.272 331 L C 1.394 178.301 176.870 0.061 0.000 1.161 331 L CA -0.342 54.590 54.840 0.153 0.000 0.845 331 L CB 1.043 43.217 42.059 0.190 0.000 1.119 331 L HN 0.256 nan 8.230 nan 0.000 0.464 332 A N 4.186 127.016 122.820 0.016 0.000 1.969 332 A HA -0.111 4.208 4.320 -0.000 0.000 0.218 332 A C 0.732 178.328 177.584 0.019 0.000 1.169 332 A CA 0.850 52.880 52.037 -0.013 0.000 0.635 332 A CB -0.181 18.758 19.000 -0.102 0.000 0.810 332 A HN 0.571 nan 8.150 nan 0.000 0.445 333 F N 0.788 120.578 119.950 -0.267 0.000 2.404 333 F HA 0.428 4.955 4.527 -0.000 0.000 0.354 333 F C -0.252 175.415 175.800 -0.222 0.000 1.122 333 F CA -0.797 56.979 58.000 -0.373 0.000 1.080 333 F CB 1.046 39.451 39.000 -0.993 0.000 1.131 333 F HN 0.013 nan 8.300 nan 0.000 0.471 334 Q N 8.278 127.900 119.800 -0.297 0.000 2.509 334 Q HA 0.222 4.562 4.340 -0.000 0.000 0.236 334 Q C -2.025 173.888 176.000 -0.145 0.000 1.073 334 Q CA -1.860 53.872 55.803 -0.118 0.000 0.867 334 Q CB 1.469 30.146 28.738 -0.101 0.000 1.181 334 Q HN 0.506 nan 8.270 nan 0.000 0.526 335 P HA -0.173 nan 4.420 nan 0.000 0.219 335 P C 0.516 177.847 177.300 0.052 0.000 1.146 335 P CA 1.270 64.453 63.100 0.138 0.000 0.808 335 P CB 0.301 32.157 31.700 0.260 0.000 0.779 336 D N -1.587 118.832 120.400 0.031 0.000 2.319 336 D HA -0.051 4.589 4.640 -0.000 0.000 0.230 336 D C 0.750 177.043 176.300 -0.011 0.000 1.094 336 D CA 0.332 54.342 54.000 0.016 0.000 0.856 336 D CB -0.600 40.214 40.800 0.023 0.000 0.915 336 D HN 0.236 nan 8.370 nan 0.000 0.517 337 Q N 0.122 119.894 119.800 -0.047 0.000 2.088 337 Q HA 0.317 4.656 4.340 -0.000 0.000 0.270 337 Q C -0.398 175.552 176.000 -0.084 0.000 0.854 337 Q CA -0.221 55.548 55.803 -0.057 0.000 1.104 337 Q CB 1.278 29.981 28.738 -0.059 0.000 1.251 337 Q HN 0.217 nan 8.270 nan 0.000 0.436 338 L N 0.824 121.999 121.223 -0.080 0.000 2.334 338 L HA 0.719 5.058 4.340 -0.000 0.000 0.277 338 L C 0.104 176.955 176.870 -0.031 0.000 1.075 338 L CA -0.823 53.964 54.840 -0.089 0.000 0.804 338 L CB 1.148 43.155 42.059 -0.086 0.000 1.174 338 L HN 0.076 nan 8.230 nan 0.000 0.438 339 A N 0.968 123.778 122.820 -0.017 0.000 2.306 339 A HA 0.419 4.739 4.320 -0.000 0.000 0.330 339 A C 0.062 177.658 177.584 0.021 0.000 1.146 339 A CA -0.554 51.487 52.037 0.006 0.000 0.827 339 A CB 0.703 19.711 19.000 0.013 0.000 1.178 339 A HN 0.817 nan 8.150 nan 0.000 0.490 340 D N 0.673 121.086 120.400 0.021 0.000 2.368 340 D HA 0.031 4.671 4.640 -0.000 0.000 0.218 340 D C -0.064 176.251 176.300 0.025 0.000 1.112 340 D CA 0.083 54.101 54.000 0.029 0.000 0.834 340 D CB -0.815 40.001 40.800 0.026 0.000 0.953 340 D HN 0.261 nan 8.370 nan 0.000 0.505 341 T N 3.551 118.115 114.554 0.018 0.000 2.849 341 T HA 0.106 4.456 4.350 -0.000 0.000 0.289 341 T C -2.082 172.626 174.700 0.014 0.000 1.010 341 T CA -0.561 61.541 62.100 0.004 0.000 1.161 341 T CB 0.606 69.463 68.868 -0.019 0.000 0.989 341 T HN 0.251 nan 8.240 nan 0.000 0.523 342 P HA 0.355 nan 4.420 nan 0.000 0.277 342 P C -0.478 176.832 177.300 0.016 0.000 1.240 342 P CA -0.817 62.293 63.100 0.017 0.000 0.798 342 P CB 0.588 32.295 31.700 0.012 0.000 0.979 343 I N 2.019 122.608 120.570 0.031 0.000 2.474 343 I HA 0.128 4.298 4.170 -0.000 0.000 0.287 343 I C 0.843 176.974 176.117 0.024 0.000 1.048 343 I CA -0.626 60.696 61.300 0.037 0.000 1.383 343 I CB -0.455 37.578 38.000 0.054 0.000 1.412 343 I HN 0.196 nan 8.210 nan 0.000 0.531 344 L N 7.844 129.079 121.223 0.020 0.000 2.349 344 L HA 0.328 4.667 4.340 -0.000 0.000 0.275 344 L C -1.755 175.126 176.870 0.019 0.000 1.115 344 L CA -1.569 53.278 54.840 0.011 0.000 0.820 344 L CB 0.212 42.271 42.059 -0.000 0.000 1.135 344 L HN 0.437 nan 8.230 nan 0.000 0.445 348 A N 1.517 124.317 122.820 -0.033 0.000 2.259 348 A HA 0.377 4.697 4.320 -0.000 0.000 0.208 348 A C 0.642 178.211 177.584 -0.025 0.000 1.201 348 A CA 0.234 52.258 52.037 -0.023 0.000 0.824 348 A CB 0.070 19.061 19.000 -0.015 0.000 0.838 348 A HN 0.055 nan 8.150 nan 0.000 0.485 349 V N 0.471 120.363 119.914 -0.037 0.000 2.539 349 V HA 0.293 4.413 4.120 -0.000 0.000 0.292 349 V C 0.304 176.378 176.094 -0.033 0.000 1.045 349 V CA -0.695 61.582 62.300 -0.039 0.000 0.945 349 V CB 1.434 33.225 31.823 -0.053 0.000 0.993 349 V HN 0.459 nan 8.190 nan 0.000 0.464 350 R N 1.915 122.393 120.500 -0.038 0.000 2.265 350 R HA 0.677 5.017 4.340 -0.000 0.000 0.319 350 R C -0.300 175.950 176.300 -0.083 0.000 1.006 350 R CA -0.132 55.947 56.100 -0.034 0.000 0.880 350 R CB 1.638 31.920 30.300 -0.030 0.000 1.077 350 R HN 0.819 nan 8.270 nan 0.000 0.454 351 T N 0.542 115.027 114.554 -0.115 0.000 2.769 351 T HA 0.612 4.962 4.350 -0.000 0.000 0.306 351 T C -1.469 173.009 174.700 -0.369 0.000 1.400 351 T CA -0.459 61.479 62.100 -0.270 0.000 1.007 351 T CB 1.516 70.149 68.868 -0.392 0.000 1.392 351 T HN 0.623 nan 8.240 nan 0.000 0.500 352 A N 1.309 123.893 122.820 -0.393 0.000 2.269 352 A HA 0.864 5.184 4.320 -0.000 0.000 0.319 352 A C -1.692 175.569 177.584 -0.539 0.000 1.110 352 A CA -0.407 51.466 52.037 -0.272 0.000 0.847 352 A CB 0.549 19.494 19.000 -0.093 0.000 1.161 352 A HN 0.745 nan 8.150 nan 0.000 0.497 353 Y N -1.349 118.930 120.300 -0.034 0.000 2.512 353 Y HA 0.448 4.998 4.550 -0.000 0.000 0.348 353 Y C -0.731 175.166 175.900 -0.005 0.000 0.990 353 Y CA -0.361 57.719 58.100 -0.033 0.000 1.033 353 Y CB 1.906 40.336 38.460 -0.051 0.000 1.259 353 Y HN 0.693 nan 8.280 nan 0.000 0.461 354 Y N 3.578 123.896 120.300 0.030 0.000 2.328 354 Y HA 0.690 5.240 4.550 -0.000 0.000 0.337 354 Y C -1.901 174.018 175.900 0.032 0.000 1.008 354 Y CA -0.831 57.259 58.100 -0.016 0.000 1.129 354 Y CB 0.618 39.035 38.460 -0.072 0.000 1.185 354 Y HN 0.524 nan 8.280 nan 0.000 0.476 355 L N 7.452 128.426 121.223 -0.415 0.000 2.385 355 L HA 0.568 4.908 4.340 -0.000 0.000 0.273 355 L C -0.866 175.677 176.870 -0.545 0.000 0.990 355 L CA -0.857 53.777 54.840 -0.343 0.000 0.821 355 L CB 1.839 43.779 42.059 -0.198 0.000 1.279 355 L HN 0.751 nan 8.230 nan 0.000 0.412 356 R N 4.742 125.022 120.500 -0.367 0.000 2.532 356 R HA 0.812 5.152 4.340 -0.000 0.000 0.297 356 R C -2.020 174.211 176.300 -0.115 0.000 0.984 356 R CA -0.542 55.398 56.100 -0.266 0.000 0.884 356 R CB 1.653 31.868 30.300 -0.142 0.000 1.182 356 R HN 0.578 nan 8.270 nan 0.000 0.442 357 L N 0.326 121.485 121.223 -0.107 0.000 2.415 357 L HA 0.735 5.075 4.340 -0.000 0.000 0.256 357 L C -1.124 175.707 176.870 -0.065 0.000 1.010 357 L CA -1.138 53.660 54.840 -0.069 0.000 0.826 357 L CB 1.667 43.684 42.059 -0.071 0.000 1.405 357 L HN 0.519 nan 8.230 nan 0.000 0.410 358 R N 1.180 121.646 120.500 -0.057 0.000 2.393 358 R HA 0.938 5.278 4.340 -0.000 0.000 0.310 358 R C -1.087 175.158 176.300 -0.092 0.000 0.968 358 R CA 0.251 56.299 56.100 -0.087 0.000 0.867 358 R CB 1.621 31.866 30.300 -0.092 0.000 1.124 358 R HN 1.141 nan 8.270 nan 0.000 0.450 359 A N 3.626 126.370 122.820 -0.126 0.000 2.587 359 A HA 0.630 4.950 4.320 -0.000 0.000 0.293 359 A C -1.346 176.154 177.584 -0.140 0.000 1.087 359 A CA -0.726 51.275 52.037 -0.061 0.000 0.692 359 A CB 0.657 19.660 19.000 0.004 0.000 1.291 359 A HN 0.584 nan 8.150 nan 0.000 0.407 363 P HA 0.084 nan 4.420 nan 0.000 0.220 363 P C 1.503 178.801 177.300 -0.003 0.000 1.152 363 P CA 1.441 64.541 63.100 0.000 0.000 0.812 363 P CB 0.209 31.908 31.700 -0.002 0.000 0.792 364 G N 0.097 108.896 108.800 -0.001 0.000 2.498 364 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.219 364 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.219 364 G C 1.489 176.385 174.900 -0.005 0.000 1.119 364 G CA 0.445 45.542 45.100 -0.005 0.000 0.766 364 G HN 0.160 nan 8.290 nan 0.000 0.552 365 V N 0.556 120.471 119.914 0.002 0.000 2.295 365 V HA -0.132 3.987 4.120 -0.000 0.000 0.246 365 V C 2.720 178.807 176.094 -0.012 0.000 1.049 365 V CA 1.393 63.695 62.300 0.004 0.000 1.024 365 V CB -0.396 31.439 31.823 0.020 0.000 0.648 365 V HN 0.378 nan 8.190 nan 0.000 0.447 366 L N -0.290 120.923 121.223 -0.017 0.000 2.093 366 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 366 L C 2.640 179.492 176.870 -0.029 0.000 1.085 366 L CA 1.483 56.306 54.840 -0.028 0.000 0.755 366 L CB -0.548 41.493 42.059 -0.030 0.000 0.904 366 L HN 0.388 nan 8.230 nan 0.000 0.435 367 A N -0.317 122.490 122.820 -0.023 0.000 1.908 367 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 367 A C 1.863 179.432 177.584 -0.025 0.000 1.181 367 A CA 2.035 54.058 52.037 -0.024 0.000 0.627 367 A CB -0.483 18.506 19.000 -0.019 0.000 0.818 367 A HN 0.426 nan 8.150 nan 0.000 0.445 368 D N -0.137 120.249 120.400 -0.023 0.000 2.123 368 D HA -0.065 4.575 4.640 -0.000 0.000 0.200 368 D C 1.966 178.247 176.300 -0.031 0.000 0.976 368 D CA 1.009 54.994 54.000 -0.024 0.000 0.831 368 D CB -0.296 40.493 40.800 -0.019 0.000 0.974 368 D HN 0.501 nan 8.370 nan 0.000 0.469 369 I N 1.431 121.980 120.570 -0.034 0.000 2.163 369 I HA -0.269 3.900 4.170 -0.000 0.000 0.243 369 I C 2.606 178.692 176.117 -0.051 0.000 1.085 369 I CA 1.663 62.936 61.300 -0.045 0.000 1.347 369 I CB -0.545 37.426 38.000 -0.050 0.000 1.044 369 I HN 0.106 nan 8.210 nan 0.000 0.408 370 T N -1.111 113.414 114.554 -0.049 0.000 2.867 370 T HA -0.206 4.143 4.350 -0.000 0.000 0.268 370 T C 1.942 176.613 174.700 -0.047 0.000 1.057 370 T CA 1.028 63.097 62.100 -0.052 0.000 1.136 370 T CB -0.329 68.510 68.868 -0.049 0.000 0.874 370 T HN 0.120 nan 8.240 nan 0.000 0.466 371 R N 1.454 121.931 120.500 -0.039 0.000 2.092 371 R HA 0.213 4.553 4.340 -0.000 0.000 0.231 371 R C 2.219 178.496 176.300 -0.038 0.000 1.119 371 R CA 1.121 57.200 56.100 -0.035 0.000 0.970 371 R CB -1.188 29.095 30.300 -0.029 0.000 0.864 371 R HN 0.556 nan 8.270 nan 0.000 0.440 372 I N 0.186 120.731 120.570 -0.041 0.000 2.226 372 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 372 I C 1.981 178.067 176.117 -0.052 0.000 1.100 372 I CA 1.208 62.481 61.300 -0.045 0.000 1.374 372 I CB -0.186 37.786 38.000 -0.047 0.000 1.057 372 I HN 0.147 nan 8.210 nan 0.000 0.413 373 L N 0.131 121.319 121.223 -0.059 0.000 2.027 373 L HA -0.172 4.168 4.340 -0.000 0.000 0.206 373 L C 2.822 179.658 176.870 -0.057 0.000 1.074 373 L CA 1.300 56.101 54.840 -0.066 0.000 0.745 373 L CB -0.781 41.233 42.059 -0.076 0.000 0.898 373 L HN 0.222 nan 8.230 nan 0.000 0.433 374 A N -0.081 122.709 122.820 -0.051 0.000 1.933 374 A HA -0.229 4.090 4.320 -0.000 0.000 0.218 374 A C 1.876 179.439 177.584 -0.035 0.000 1.175 374 A CA 1.947 53.959 52.037 -0.042 0.000 0.628 374 A CB -0.526 18.451 19.000 -0.038 0.000 0.814 374 A HN 0.358 nan 8.150 nan 0.000 0.444 375 D N -0.134 120.245 120.400 -0.035 0.000 2.182 375 D HA -0.059 4.581 4.640 -0.000 0.000 0.201 375 D C 1.622 177.903 176.300 -0.032 0.000 0.986 375 D CA 1.494 55.475 54.000 -0.031 0.000 0.847 375 D CB -0.245 40.536 40.800 -0.031 0.000 0.942 375 D HN 0.339 nan 8.370 nan 0.000 0.467 376 S N -0.470 115.207 115.700 -0.039 0.000 2.634 376 S HA 0.070 4.540 4.470 -0.000 0.000 0.221 376 S C 0.408 174.987 174.600 -0.035 0.000 0.952 376 S CA -0.019 58.157 58.200 -0.041 0.000 0.930 376 S CB 0.170 63.337 63.200 -0.055 0.000 0.780 376 S HN 0.068 nan 8.310 nan 0.000 0.498 377 S N 0.801 116.483 115.700 -0.031 0.000 3.635 377 S HA -0.163 4.307 4.470 -0.000 0.000 0.328 377 S C -0.044 174.543 174.600 -0.023 0.000 1.135 377 S CA 0.329 58.516 58.200 -0.023 0.000 0.942 377 S CB -1.809 61.383 63.200 -0.013 0.000 0.930 377 S HN 0.582 nan 8.310 nan 0.000 0.512 378 I N 1.515 122.062 120.570 -0.039 0.000 2.321 378 I HA 0.312 4.482 4.170 -0.000 0.000 0.291 378 I C 0.499 176.570 176.117 -0.076 0.000 0.998 378 I CA -0.076 61.198 61.300 -0.043 0.000 1.227 378 I CB 1.663 39.629 38.000 -0.057 0.000 1.368 378 I HN 0.072 nan 8.210 nan 0.000 0.466 379 S N 6.575 122.214 115.700 -0.101 0.000 2.508 379 S HA 0.560 5.030 4.470 -0.000 0.000 0.284 379 S C -0.075 174.283 174.600 -0.403 0.000 1.192 379 S CA -0.516 57.533 58.200 -0.251 0.000 1.070 379 S CB 0.861 63.892 63.200 -0.283 0.000 1.004 379 S HN 0.325 nan 8.310 nan 0.000 0.493 380 I N 2.448 122.792 120.570 -0.376 0.000 2.396 380 I HA 0.192 4.361 4.170 -0.000 0.000 0.292 380 I C 1.005 176.907 176.117 -0.358 0.000 0.999 380 I CA -0.250 60.881 61.300 -0.281 0.000 1.310 380 I CB 1.385 39.294 38.000 -0.150 0.000 1.404 380 I HN 0.618 nan 8.210 nan 0.000 0.496 381 D N 3.914 124.252 120.400 -0.103 0.000 2.259 381 D HA 0.214 4.853 4.640 -0.000 0.000 0.216 381 D C 0.250 176.597 176.300 0.078 0.000 0.961 381 D CA 0.744 54.838 54.000 0.156 0.000 0.878 381 D CB 0.600 41.584 40.800 0.305 0.000 1.009 381 D HN 0.648 nan 8.370 nan 0.000 0.490 385 Q N 2.983 122.714 119.800 -0.114 0.000 2.706 385 Q HA 0.648 4.988 4.340 -0.000 0.000 0.250 385 Q C -0.036 175.902 176.000 -0.103 0.000 1.120 385 Q CA -0.067 55.670 55.803 -0.110 0.000 0.972 385 Q CB 0.877 29.571 28.738 -0.074 0.000 1.173 385 Q HN 0.889 nan 8.270 nan 0.000 0.522 394 Q N 0.031 119.675 119.800 -0.261 0.000 2.241 394 Q HA 0.671 5.011 4.340 -0.000 0.000 0.254 394 Q C 0.276 176.159 176.000 -0.194 0.000 0.917 394 Q CA -0.704 54.868 55.803 -0.384 0.000 0.919 394 Q CB 2.530 30.931 28.738 -0.561 0.000 1.237 394 Q HN 0.597 nan 8.270 nan 0.000 0.434 395 V N -1.424 118.397 119.914 -0.156 0.000 2.667 395 V HA 0.452 4.572 4.120 -0.000 0.000 0.308 395 V C -0.464 175.573 176.094 -0.096 0.000 1.048 395 V CA -1.004 61.238 62.300 -0.097 0.000 0.928 395 V CB 1.952 33.734 31.823 -0.069 0.000 1.004 395 V HN 0.664 nan 8.190 nan 0.000 0.444 396 D N 3.569 123.925 120.400 -0.074 0.000 2.295 396 D HA 0.449 5.089 4.640 -0.000 0.000 0.248 396 D C -0.357 175.869 176.300 -0.123 0.000 1.154 396 D CA 0.175 54.131 54.000 -0.074 0.000 0.857 396 D CB 1.984 42.775 40.800 -0.014 0.000 1.117 396 D HN 0.816 nan 8.370 nan 0.000 0.468 397 I N 0.923 121.415 120.570 -0.131 0.000 2.433 397 I HA 0.514 4.683 4.170 -0.000 0.000 0.292 397 I C -1.122 174.870 176.117 -0.208 0.000 1.001 397 I CA -0.696 60.510 61.300 -0.155 0.000 1.119 397 I CB 1.372 39.303 38.000 -0.115 0.000 1.289 397 I HN 0.137 nan 8.210 nan 0.000 0.438 398 I N 7.008 127.429 120.570 -0.248 0.000 2.433 398 I HA 0.481 4.651 4.170 -0.000 0.000 0.292 398 I C -0.858 175.110 176.117 -0.249 0.000 1.001 398 I CA -0.587 60.517 61.300 -0.327 0.000 1.119 398 I CB 1.887 39.666 38.000 -0.367 0.000 1.289 398 I HN 0.510 nan 8.210 nan 0.000 0.438 399 L N 6.709 127.766 121.223 -0.277 0.000 2.385 399 L HA 0.563 4.903 4.340 -0.000 0.000 0.273 399 L C -0.895 175.890 176.870 -0.141 0.000 0.990 399 L CA -0.516 54.221 54.840 -0.173 0.000 0.821 399 L CB 1.994 43.965 42.059 -0.147 0.000 1.279 399 L HN 0.392 nan 8.230 nan 0.000 0.412 400 L N 2.741 123.928 121.223 -0.059 0.000 2.287 400 L HA 0.514 4.854 4.340 -0.000 0.000 0.287 400 L C 0.396 177.284 176.870 0.031 0.000 1.022 400 L CA -0.416 54.425 54.840 0.001 0.000 0.814 400 L CB 1.889 43.969 42.059 0.034 0.000 1.217 400 L HN 0.661 nan 8.230 nan 0.000 0.420 401 T N -1.606 112.988 114.554 0.067 0.000 2.927 401 T HA 0.414 4.764 4.350 -0.000 0.000 0.281 401 T C 0.265 175.083 174.700 0.197 0.000 0.998 401 T CA -0.714 61.433 62.100 0.079 0.000 1.019 401 T CB 1.244 70.178 68.868 0.110 0.000 1.061 401 T HN 0.344 nan 8.240 nan 0.000 0.518 402 H N 0.188 119.278 119.070 0.033 0.000 2.639 402 H HA 0.353 4.909 4.556 -0.000 0.000 0.373 402 H C 0.303 175.647 175.328 0.027 0.000 1.372 402 H CA -1.092 54.970 56.048 0.023 0.000 1.448 402 H CB 0.087 29.858 29.762 0.016 0.000 1.544 402 H HN 0.481 nan 8.280 nan 0.000 0.615 403 V N 1.011 120.998 119.914 0.122 0.000 2.585 403 V HA 0.222 4.342 4.120 -0.000 0.000 0.296 403 V C 0.911 177.052 176.094 0.077 0.000 1.035 403 V CA 0.630 62.958 62.300 0.046 0.000 1.084 403 V CB 0.604 32.419 31.823 -0.014 0.000 0.953 403 V HN 0.837 nan 8.190 nan 0.000 0.483 404 T N 4.884 119.491 114.554 0.088 0.000 2.889 404 T HA 0.355 4.705 4.350 -0.000 0.000 0.315 404 T C -0.924 173.833 174.700 0.095 0.000 1.291 404 T CA -0.696 61.460 62.100 0.092 0.000 1.028 404 T CB 1.255 70.185 68.868 0.103 0.000 1.235 404 T HN 0.531 nan 8.240 nan 0.000 0.491 405 L N 3.655 124.908 121.223 0.050 0.000 2.513 405 L HA 0.170 4.509 4.340 -0.000 0.000 0.272 405 L C 1.774 178.671 176.870 0.045 0.000 1.187 405 L CA 0.319 55.178 54.840 0.031 0.000 0.895 405 L CB 0.823 42.885 42.059 0.006 0.000 1.147 405 L HN 1.003 nan 8.230 nan 0.000 0.483 406 E N 3.556 123.787 120.200 0.052 0.000 2.097 406 E HA -0.288 4.061 4.350 -0.000 0.000 0.196 406 E C 2.093 178.667 176.600 -0.044 0.000 1.000 406 E CA 2.393 58.820 56.400 0.045 0.000 0.804 406 E CB 0.219 29.934 29.700 0.025 0.000 0.740 406 E HN 0.775 nan 8.360 nan 0.000 0.454 407 K N 0.971 121.347 120.400 -0.039 0.000 2.089 407 K HA -0.263 4.057 4.320 -0.000 0.000 0.210 407 K C 1.782 178.345 176.600 -0.062 0.000 1.048 407 K CA 1.964 58.222 56.287 -0.048 0.000 0.926 407 K CB -1.348 31.132 32.500 -0.033 0.000 0.714 407 K HN 0.237 nan 8.250 nan 0.000 0.448 408 N N 0.408 119.074 118.700 -0.056 0.000 2.104 408 N HA -0.108 4.631 4.740 -0.000 0.000 0.190 408 N C 1.893 177.335 175.510 -0.112 0.000 1.024 408 N CA 1.726 54.737 53.050 -0.066 0.000 0.853 408 N CB -0.419 38.042 38.487 -0.044 0.000 1.008 408 N HN 0.299 nan 8.380 nan 0.000 0.424 409 V N 1.753 121.563 119.914 -0.174 0.000 2.453 409 V HA -0.128 3.992 4.120 -0.000 0.000 0.247 409 V C 1.798 177.745 176.094 -0.245 0.000 1.048 409 V CA 1.144 63.261 62.300 -0.305 0.000 1.049 409 V CB -0.504 30.911 31.823 -0.679 0.000 0.672 409 V HN 0.244 nan 8.190 nan 0.000 0.457 410 N N 1.142 119.732 118.700 -0.182 0.000 2.069 410 N HA -0.141 4.598 4.740 -0.000 0.000 0.191 410 N C 1.908 177.360 175.510 -0.097 0.000 1.031 410 N CA 1.869 54.844 53.050 -0.126 0.000 0.852 410 N CB -0.635 37.800 38.487 -0.087 0.000 1.018 410 N HN 0.485 nan 8.380 nan 0.000 0.423 411 A N 0.730 123.498 122.820 -0.086 0.000 1.898 411 A HA 0.098 4.418 4.320 -0.000 0.000 0.216 411 A C 2.330 179.871 177.584 -0.071 0.000 1.181 411 A CA 1.880 53.878 52.037 -0.066 0.000 0.620 411 A CB -0.886 18.081 19.000 -0.055 0.000 0.819 411 A HN 0.318 nan 8.150 nan 0.000 0.442 412 A N -0.193 122.574 122.820 -0.089 0.000 1.933 412 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 412 A C 2.109 179.638 177.584 -0.091 0.000 1.175 412 A CA 1.455 53.438 52.037 -0.089 0.000 0.628 412 A CB -0.576 18.362 19.000 -0.104 0.000 0.814 412 A HN 0.485 nan 8.150 nan 0.000 0.444 413 I N -0.336 120.168 120.570 -0.110 0.000 2.286 413 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 413 I C 2.900 178.976 176.117 -0.068 0.000 1.115 413 I CA 0.990 62.230 61.300 -0.100 0.000 1.392 413 I CB -0.196 37.732 38.000 -0.119 0.000 1.065 413 I HN 0.374 nan 8.210 nan 0.000 0.418 414 A N 0.470 123.253 122.820 -0.061 0.000 1.969 414 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 414 A C 2.267 179.829 177.584 -0.037 0.000 1.169 414 A CA 1.505 53.517 52.037 -0.043 0.000 0.635 414 A CB -0.320 18.657 19.000 -0.039 0.000 0.810 414 A HN 0.303 nan 8.150 nan 0.000 0.445 415 K N -0.470 119.905 120.400 -0.042 0.000 2.062 415 K HA 0.071 4.391 4.320 -0.000 0.000 0.205 415 K C 1.690 178.269 176.600 -0.034 0.000 1.051 415 K CA 1.271 57.536 56.287 -0.036 0.000 0.941 415 K CB -0.281 32.196 32.500 -0.039 0.000 0.719 415 K HN 0.501 nan 8.250 nan 0.000 0.440 416 I N 1.371 121.916 120.570 -0.042 0.000 2.226 416 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 416 I C 1.769 177.871 176.117 -0.025 0.000 1.100 416 I CA 1.432 62.709 61.300 -0.038 0.000 1.374 416 I CB -0.168 37.800 38.000 -0.053 0.000 1.057 416 I HN 0.183 nan 8.210 nan 0.000 0.413 417 E N 0.650 120.834 120.200 -0.026 0.000 2.347 417 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 417 E C 2.125 178.721 176.600 -0.007 0.000 1.008 417 E CA 0.819 57.210 56.400 -0.014 0.000 0.852 417 E CB -0.049 29.640 29.700 -0.017 0.000 0.783 417 E HN 0.520 nan 8.360 nan 0.000 0.505 418 A N 0.593 123.406 122.820 -0.013 0.000 2.072 418 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 418 A C 0.738 178.316 177.584 -0.009 0.000 1.156 418 A CA -0.009 52.021 52.037 -0.011 0.000 0.701 418 A CB 0.060 19.050 19.000 -0.016 0.000 0.816 418 A HN 0.054 nan 8.150 nan 0.000 0.458 419 L N 0.992 122.211 121.223 -0.007 0.000 2.559 419 L HA 0.175 4.514 4.340 -0.000 0.000 0.274 419 L C 1.689 178.560 176.870 0.002 0.000 1.205 419 L CA 0.991 55.828 54.840 -0.004 0.000 0.907 419 L CB -0.648 41.411 42.059 -0.000 0.000 1.153 419 L HN 0.574 nan 8.230 nan 0.000 0.490 420 D N 3.475 123.867 120.400 -0.013 0.000 2.133 420 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 420 D C 1.796 178.081 176.300 -0.024 0.000 0.997 420 D CA 1.677 55.657 54.000 -0.033 0.000 0.840 420 D CB -0.109 40.656 40.800 -0.059 0.000 0.947 420 D HN 0.790 nan 8.370 nan 0.000 0.452 421 A N -0.629 122.196 122.820 0.009 0.000 2.172 421 A HA 0.363 4.683 4.320 -0.000 0.000 0.216 421 A C 1.232 178.973 177.584 0.262 0.000 1.154 421 A CA 0.801 52.899 52.037 0.102 0.000 0.701 421 A CB -0.003 19.052 19.000 0.092 0.000 0.789 421 A HN 0.485 nan 8.150 nan 0.000 0.465 422 V N 0.740 120.744 119.914 0.149 0.000 2.333 422 V HA 0.553 4.673 4.120 -0.000 0.000 0.274 422 V C 0.321 176.498 176.094 0.138 0.000 1.028 422 V CA -0.324 62.052 62.300 0.127 0.000 0.851 422 V CB 0.729 32.581 31.823 0.048 0.000 1.000 422 V HN 0.438 nan 8.190 nan 0.000 0.456 423 A N 4.423 127.346 122.820 0.172 0.000 2.290 423 A HA 0.896 5.216 4.320 -0.000 0.000 0.310 423 A C 0.700 178.316 177.584 0.054 0.000 1.202 423 A CA 0.382 52.502 52.037 0.138 0.000 0.837 423 A CB 0.558 19.686 19.000 0.213 0.000 1.139 423 A HN 1.902 nan 8.150 nan 0.000 0.509 424 G N 0.127 108.952 108.800 0.042 0.000 2.681 424 G HA2 0.441 4.401 3.960 -0.000 0.000 0.220 424 G HA3 0.441 4.401 3.960 -0.000 0.000 0.220 424 G C -0.070 174.837 174.900 0.011 0.000 1.353 424 G CA 0.248 45.361 45.100 0.021 0.000 0.872 424 G HN 1.807 nan 8.290 nan 0.000 0.557 425 K N -1.125 119.277 120.400 0.004 0.000 2.168 425 K HA 0.929 5.249 4.320 -0.000 0.000 0.239 425 K C 0.613 177.206 176.600 -0.012 0.000 0.999 425 K CA 0.156 56.441 56.287 -0.004 0.000 0.900 425 K CB 1.369 33.868 32.500 -0.001 0.000 1.111 425 K HN 1.689 nan 8.250 nan 0.000 0.452 429 I N 0.788 121.515 120.570 0.262 0.000 2.607 429 I HA 0.540 4.710 4.170 -0.000 0.000 0.290 429 I C -0.881 175.295 176.117 0.098 0.000 1.129 429 I CA -0.753 60.643 61.300 0.159 0.000 1.042 429 I CB 2.232 40.285 38.000 0.087 0.000 1.242 429 I HN 0.744 nan 8.210 nan 0.000 0.421 430 R N 5.172 125.640 120.500 -0.053 0.000 2.707 430 R HA 0.680 5.020 4.340 -0.000 0.000 0.270 430 R C -1.075 175.130 176.300 -0.158 0.000 1.083 430 R CA -0.538 55.403 56.100 -0.265 0.000 1.182 430 R CB 0.886 30.865 30.300 -0.535 0.000 1.084 430 R HN 0.704 nan 8.270 nan 0.000 0.528 431 L N 0.806 121.893 121.223 -0.228 0.000 2.438 431 L HA 0.383 4.723 4.340 -0.000 0.000 0.270 431 L C -1.322 175.487 176.870 -0.102 0.000 0.972 431 L CA -0.395 54.359 54.840 -0.143 0.000 0.831 431 L CB 1.722 43.666 42.059 -0.192 0.000 1.273 431 L HN 0.535 nan 8.230 nan 0.000 0.405 432 E N 3.115 123.301 120.200 -0.023 0.000 2.241 432 E HA 0.129 4.479 4.350 -0.000 0.000 0.263 432 E C -0.565 176.036 176.600 0.003 0.000 0.882 432 E CA -0.280 56.094 56.400 -0.043 0.000 0.769 432 E CB 2.334 31.999 29.700 -0.059 0.000 1.185 432 E HN 0.724 nan 8.360 nan 0.000 0.415 433 D N 2.834 123.220 120.400 -0.024 0.000 2.123 433 D HA -0.038 4.602 4.640 -0.000 0.000 0.200 433 D C 0.905 177.195 176.300 -0.017 0.000 0.976 433 D CA 0.808 54.810 54.000 0.003 0.000 0.831 433 D CB 0.194 40.985 40.800 -0.014 0.000 0.974 433 D HN 0.479 nan 8.370 nan 0.000 0.469 434 L N -1.316 119.845 121.223 -0.104 0.000 4.179 434 L HA -0.209 4.131 4.340 -0.000 0.000 0.418 434 L C 0.846 177.797 176.870 0.135 0.000 1.168 434 L CA 0.076 54.876 54.840 -0.066 0.000 0.972 434 L CB -2.151 39.941 42.059 0.055 0.000 2.005 434 L HN 0.207 nan 8.230 nan 0.000 0.935 435 G N 0.000 108.848 108.800 0.080 0.000 5.446 435 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 435 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 435 G CA 0.000 45.166 45.100 0.111 0.000 0.502 435 G HN 0.000 nan 8.290 nan 0.000 0.925