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 3pl0_1_A DATA FIRST_RESID 0 DATA SEQUENCE GXHVDIELPL GRATALQRLR AQGFCVLTPA ALETLTGXPL DAFDXXLPYW DATA SEQUENCE EELAPDLHLK DGGHYRYRRH GCFXQTLQPG QLETVQHRAH WQPTTYNALH DATA SEQUENCE GGXERWFEPL SNEXIHLPSW SALLVALGEL FAKLRAPQGG RWYIEAHPFR DATA SEQUENCE IDTEGGVGRP TPEGAHRDGV DFVAVVFIGR QGVRGGETRV FDAAGPQGVR DATA SEQUENCE FTLEQPWTVL LLDDQQVIHE STPLLPLDPA DPAVPAHRDT LVLTYRSGGF DATA SEQUENCE QAPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 0 G C 0.000 174.854 174.900 -0.077 0.000 0.946 0 G CA 0.000 45.072 45.100 -0.047 0.000 0.502 3 V N 3.754 123.679 119.914 0.019 0.000 2.284 3 V HA 0.090 4.211 4.120 0.000 0.000 0.274 3 V C 0.229 176.248 176.094 -0.125 0.000 1.023 3 V CA -0.544 61.697 62.300 -0.098 0.000 0.808 3 V CB 1.119 32.848 31.823 -0.155 0.000 1.035 3 V HN 0.614 nan 8.190 nan 0.000 0.445 4 D N 4.519 124.834 120.400 -0.143 0.000 2.896 4 D HA 0.188 4.829 4.640 0.000 0.000 0.240 4 D C 0.985 177.212 176.300 -0.121 0.000 1.193 4 D CA 0.185 54.118 54.000 -0.112 0.000 0.983 4 D CB 1.262 41.989 40.800 -0.122 0.000 1.074 4 D HN 0.519 nan 8.370 nan 0.000 0.496 5 I N -0.014 120.479 120.570 -0.129 0.000 3.860 5 I HA -0.061 4.110 4.170 0.000 0.000 0.319 5 I C 1.526 177.600 176.117 -0.071 0.000 1.279 5 I CA 0.448 61.675 61.300 -0.122 0.000 1.220 5 I CB 0.482 38.387 38.000 -0.158 0.000 1.027 5 I HN -0.087 nan 8.210 nan 0.000 0.428 6 E N 0.500 120.665 120.200 -0.057 0.000 2.306 6 E HA 0.177 4.527 4.350 0.000 0.000 0.201 6 E C 0.572 177.150 176.600 -0.036 0.000 0.874 6 E CA 0.096 56.473 56.400 -0.038 0.000 0.972 6 E CB 0.449 30.132 29.700 -0.029 0.000 0.957 6 E HN 0.371 nan 8.360 nan 0.000 0.492 7 L N 1.647 122.844 121.223 -0.043 0.000 2.307 7 L HA 0.536 4.877 4.340 0.000 0.000 0.282 7 L C -2.543 174.295 176.870 -0.053 0.000 1.051 7 L CA -1.990 52.825 54.840 -0.043 0.000 0.804 7 L CB 1.182 43.214 42.059 -0.045 0.000 1.197 7 L HN -0.281 nan 8.230 nan 0.000 0.431 8 P HA 0.222 nan 4.420 nan 0.000 0.276 8 P C -0.869 176.390 177.300 -0.068 0.000 1.243 8 P CA -0.050 63.017 63.100 -0.054 0.000 0.768 8 P CB 1.099 32.773 31.700 -0.043 0.000 0.856 9 L N 2.836 124.010 121.223 -0.081 0.000 2.326 9 L HA 0.469 4.809 4.340 0.000 0.000 0.278 9 L C 1.488 178.305 176.870 -0.087 0.000 1.092 9 L CA -0.398 54.386 54.840 -0.094 0.000 0.810 9 L CB 0.877 42.868 42.059 -0.114 0.000 1.153 9 L HN 0.444 nan 8.230 nan 0.000 0.439 10 G N 1.180 109.930 108.800 -0.084 0.000 2.562 10 G HA2 0.175 4.135 3.960 0.000 0.000 0.275 10 G HA3 0.175 4.135 3.960 0.000 0.000 0.275 10 G C 0.673 175.518 174.900 -0.092 0.000 1.196 10 G CA -0.432 44.620 45.100 -0.079 0.000 0.908 10 G HN 0.773 nan 8.290 nan 0.000 0.524 11 R N 0.257 120.702 120.500 -0.091 0.000 2.083 11 R HA -0.149 4.191 4.340 0.000 0.000 0.237 11 R C 2.755 178.997 176.300 -0.097 0.000 1.137 11 R CA 1.874 57.911 56.100 -0.105 0.000 0.951 11 R CB -0.480 29.761 30.300 -0.100 0.000 0.851 11 R HN 0.542 nan 8.270 nan 0.000 0.434 12 A N -0.105 122.667 122.820 -0.080 0.000 1.902 12 A HA -0.139 4.182 4.320 0.000 0.000 0.217 12 A C 2.182 179.719 177.584 -0.079 0.000 1.181 12 A CA 2.067 54.062 52.037 -0.071 0.000 0.623 12 A CB -0.874 18.091 19.000 -0.057 0.000 0.818 12 A HN 0.466 nan 8.150 nan 0.000 0.443 13 T N 0.450 114.950 114.554 -0.089 0.000 2.746 13 T HA -0.034 4.317 4.350 0.000 0.000 0.267 13 T C 2.208 176.835 174.700 -0.121 0.000 1.039 13 T CA 1.572 63.607 62.100 -0.108 0.000 1.142 13 T CB -0.493 68.304 68.868 -0.120 0.000 0.866 13 T HN 0.607 nan 8.240 nan 0.000 0.444 14 A N 1.324 124.072 122.820 -0.119 0.000 1.908 14 A HA -0.021 4.299 4.320 0.000 0.000 0.218 14 A C 2.327 179.848 177.584 -0.105 0.000 1.181 14 A CA 1.238 53.200 52.037 -0.126 0.000 0.627 14 A CB -0.912 18.008 19.000 -0.134 0.000 0.818 14 A HN 0.473 nan 8.150 nan 0.000 0.445 15 L N -0.757 120.410 121.223 -0.093 0.000 2.046 15 L HA -0.244 4.096 4.340 0.000 0.000 0.208 15 L C 2.965 179.808 176.870 -0.045 0.000 1.077 15 L CA 1.401 56.203 54.840 -0.062 0.000 0.747 15 L CB -0.535 41.489 42.059 -0.058 0.000 0.896 15 L HN 0.457 nan 8.230 nan 0.000 0.432 16 Q N -0.337 119.425 119.800 -0.062 0.000 2.084 16 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 16 Q C 2.368 178.328 176.000 -0.067 0.000 0.978 16 Q CA 1.128 56.897 55.803 -0.056 0.000 0.844 16 Q CB -0.201 28.495 28.738 -0.071 0.000 0.898 16 Q HN 0.455 nan 8.270 nan 0.000 0.426 17 R N 0.519 120.955 120.500 -0.108 0.000 2.073 17 R HA -0.048 4.293 4.340 0.000 0.000 0.234 17 R C 2.449 178.686 176.300 -0.104 0.000 1.134 17 R CA 0.801 56.813 56.100 -0.147 0.000 0.952 17 R CB -0.695 29.473 30.300 -0.220 0.000 0.850 17 R HN 0.276 nan 8.270 nan 0.000 0.433 18 L N 0.224 121.417 121.223 -0.049 0.000 2.093 18 L HA -0.156 4.184 4.340 0.000 0.000 0.208 18 L C 2.718 179.635 176.870 0.079 0.000 1.085 18 L CA 1.139 56.005 54.840 0.044 0.000 0.755 18 L CB -0.319 41.805 42.059 0.108 0.000 0.904 18 L HN 0.041 nan 8.230 nan 0.000 0.435 19 R N 0.515 121.048 120.500 0.055 0.000 2.073 19 R HA -0.129 4.211 4.340 0.000 0.000 0.234 19 R C 2.148 178.478 176.300 0.049 0.000 1.134 19 R CA 1.894 58.032 56.100 0.064 0.000 0.952 19 R CB -0.656 29.669 30.300 0.042 0.000 0.850 19 R HN 0.312 nan 8.270 nan 0.000 0.433 20 A N 0.057 122.889 122.820 0.021 0.000 1.897 20 A HA -0.130 4.190 4.320 0.000 0.000 0.215 20 A C 1.790 179.398 177.584 0.040 0.000 1.181 20 A CA 1.565 53.617 52.037 0.024 0.000 0.620 20 A CB -0.309 18.694 19.000 0.006 0.000 0.821 20 A HN 0.639 nan 8.150 nan 0.000 0.443 21 Q N -3.386 116.429 119.800 0.024 0.000 2.185 21 Q HA 0.421 4.761 4.340 0.000 0.000 0.234 21 Q C 0.863 176.962 176.000 0.165 0.000 0.819 21 Q CA 0.684 56.528 55.803 0.068 0.000 0.961 21 Q CB 0.395 29.127 28.738 -0.011 0.000 1.140 21 Q HN 0.959 nan 8.270 nan 0.000 0.492 22 G N 1.300 110.178 108.800 0.130 0.000 2.159 22 G HA2 -0.297 3.663 3.960 0.000 0.000 0.256 22 G HA3 -0.297 3.663 3.960 0.000 0.000 0.256 22 G C -0.155 174.932 174.900 0.312 0.000 0.977 22 G CA 0.573 45.796 45.100 0.204 0.000 0.652 22 G HN 0.619 nan 8.290 nan 0.000 0.531 23 F N -1.388 118.609 119.950 0.079 0.000 2.713 23 F HA 0.765 5.292 4.527 0.000 0.000 0.311 23 F C -0.179 175.646 175.800 0.042 0.000 1.141 23 F CA -1.533 56.510 58.000 0.071 0.000 0.939 23 F CB 0.679 39.716 39.000 0.061 0.000 1.325 23 F HN 0.880 nan 8.300 nan 0.000 0.453 24 C N 0.196 119.485 119.300 -0.019 0.000 3.311 24 C HA 0.884 5.344 4.460 0.000 0.000 0.325 24 C C -1.492 173.507 174.990 0.016 0.000 1.352 24 C CA -1.001 57.906 59.018 -0.184 0.000 1.308 24 C CB 1.146 28.772 27.740 -0.191 0.000 1.619 24 C HN 0.961 nan 8.230 nan 0.000 0.469 25 V N 2.267 122.140 119.914 -0.068 0.000 2.398 25 V HA 0.511 4.632 4.120 0.000 0.000 0.286 25 V C -0.106 175.941 176.094 -0.078 0.000 1.026 25 V CA -0.310 61.951 62.300 -0.065 0.000 0.868 25 V CB 1.464 33.179 31.823 -0.180 0.000 0.982 25 V HN 0.785 nan 8.190 nan 0.000 0.443 26 L N 4.845 126.037 121.223 -0.053 0.000 2.272 26 L HA 0.466 4.806 4.340 0.000 0.000 0.289 26 L C 0.919 177.764 176.870 -0.042 0.000 1.032 26 L CA -0.410 54.393 54.840 -0.062 0.000 0.810 26 L CB 1.716 43.732 42.059 -0.071 0.000 1.205 26 L HN 0.809 nan 8.230 nan 0.000 0.422 27 T N -0.178 114.349 114.554 -0.045 0.000 2.802 27 T HA 0.127 4.478 4.350 0.000 0.000 0.305 27 T C -1.790 172.905 174.700 -0.008 0.000 1.053 27 T CA -1.297 60.789 62.100 -0.023 0.000 1.058 27 T CB 0.752 69.604 68.868 -0.026 0.000 0.988 27 T HN 0.353 nan 8.240 nan 0.000 0.539 28 P HA -0.084 nan 4.420 nan 0.000 0.216 28 P C 1.624 178.925 177.300 0.001 0.000 1.150 28 P CA 1.597 64.724 63.100 0.045 0.000 0.843 28 P CB -0.322 31.448 31.700 0.116 0.000 0.787 29 A N -0.009 122.813 122.820 0.002 0.000 1.898 29 A HA -0.081 4.240 4.320 0.000 0.000 0.216 29 A C 2.344 179.912 177.584 -0.027 0.000 1.181 29 A CA 2.010 54.043 52.037 -0.007 0.000 0.620 29 A CB -1.577 17.420 19.000 -0.005 0.000 0.819 29 A HN 0.199 nan 8.150 nan 0.000 0.442 30 A N -0.616 122.180 122.820 -0.039 0.000 1.933 30 A HA -0.039 4.281 4.320 0.000 0.000 0.218 30 A C 2.117 179.660 177.584 -0.068 0.000 1.175 30 A CA 1.702 53.706 52.037 -0.055 0.000 0.628 30 A CB -0.568 18.393 19.000 -0.066 0.000 0.814 30 A HN 0.584 nan 8.150 nan 0.000 0.444 31 L N 0.041 121.214 121.223 -0.083 0.000 2.046 31 L HA -0.153 4.188 4.340 0.000 0.000 0.208 31 L C 2.264 179.083 176.870 -0.084 0.000 1.077 31 L CA 2.274 57.037 54.840 -0.128 0.000 0.747 31 L CB -0.599 41.324 42.059 -0.227 0.000 0.896 31 L HN 0.507 nan 8.230 nan 0.000 0.432 32 E N -1.198 118.972 120.200 -0.049 0.000 2.070 32 E HA -0.242 4.108 4.350 0.000 0.000 0.197 32 E C 1.946 178.557 176.600 0.018 0.000 1.004 32 E CA 2.035 58.455 56.400 0.034 0.000 0.805 32 E CB -0.230 29.485 29.700 0.025 0.000 0.744 32 E HN 0.550 nan 8.360 nan 0.000 0.451 33 T N 1.557 116.104 114.554 -0.012 0.000 2.746 33 T HA -0.157 4.194 4.350 0.000 0.000 0.267 33 T C 1.874 176.556 174.700 -0.031 0.000 1.039 33 T CA 0.881 62.967 62.100 -0.022 0.000 1.142 33 T CB -0.259 68.590 68.868 -0.032 0.000 0.866 33 T HN 0.033 nan 8.240 nan 0.000 0.444 34 L N 1.609 122.804 121.223 -0.047 0.000 2.046 34 L HA -0.079 4.262 4.340 0.000 0.000 0.208 34 L C 2.619 179.463 176.870 -0.044 0.000 1.077 34 L CA 2.116 56.917 54.840 -0.065 0.000 0.747 34 L CB -0.894 41.105 42.059 -0.100 0.000 0.896 34 L HN 0.432 nan 8.230 nan 0.000 0.432 35 T N -3.389 111.164 114.554 -0.003 0.000 3.081 35 T HA 0.423 4.773 4.350 0.000 0.000 0.255 35 T C 1.110 175.819 174.700 0.014 0.000 1.113 35 T CA 0.286 62.404 62.100 0.030 0.000 1.082 35 T CB -0.711 68.258 68.868 0.168 0.000 0.939 35 T HN 0.710 nan 8.240 nan 0.000 0.506 39 L N 0.538 121.809 121.223 0.081 0.000 2.129 39 L HA -0.183 4.157 4.340 0.000 0.000 0.212 39 L C 2.099 178.981 176.870 0.019 0.000 1.087 39 L CA 2.187 57.065 54.840 0.063 0.000 0.757 39 L CB -0.448 41.651 42.059 0.067 0.000 0.896 39 L HN 0.612 nan 8.230 nan 0.000 0.434 40 D N 0.342 120.752 120.400 0.017 0.000 2.178 40 D HA -0.195 4.445 4.640 0.000 0.000 0.201 40 D C 1.990 178.269 176.300 -0.034 0.000 0.980 40 D CA 1.354 55.363 54.000 0.016 0.000 0.842 40 D CB -0.031 40.780 40.800 0.017 0.000 0.948 40 D HN 0.303 nan 8.370 nan 0.000 0.472 41 A N 0.143 122.890 122.820 -0.121 0.000 1.930 41 A HA -0.016 4.305 4.320 0.000 0.000 0.217 41 A C 1.995 179.372 177.584 -0.345 0.000 1.175 41 A CA 0.653 52.554 52.037 -0.227 0.000 0.627 41 A CB -0.971 17.836 19.000 -0.322 0.000 0.815 41 A HN 0.167 nan 8.150 nan 0.000 0.443 42 F N 0.968 120.704 119.950 -0.357 0.000 2.186 42 F HA -0.058 4.469 4.527 0.000 0.000 0.299 42 F C 1.118 176.720 175.800 -0.329 0.000 1.090 42 F CA 0.530 58.108 58.000 -0.704 0.000 1.307 42 F CB -0.452 37.524 39.000 -1.706 0.000 1.019 42 F HN 0.119 nan 8.300 nan 0.000 0.489 47 P HA -0.087 nan 4.420 nan 0.000 0.225 47 P C 1.004 178.219 177.300 -0.141 0.000 1.148 47 P CA 1.300 64.358 63.100 -0.070 0.000 0.779 47 P CB -0.032 31.524 31.700 -0.241 0.000 0.780 48 Y N -2.579 117.841 120.300 0.201 0.000 2.439 48 Y HA -0.082 4.469 4.550 0.001 0.000 0.292 48 Y C 2.245 178.110 175.900 -0.058 0.000 1.130 48 Y CA 0.492 58.610 58.100 0.029 0.000 1.254 48 Y CB -0.977 37.439 38.460 -0.073 0.000 1.000 48 Y HN 0.073 nan 8.280 nan 0.000 0.554 49 W N 0.962 122.315 121.300 0.088 0.000 2.721 49 W HA -0.104 4.556 4.660 0.001 0.000 0.245 49 W C 0.807 177.273 176.519 -0.088 0.000 1.276 49 W CA 0.861 58.210 57.345 0.007 0.000 1.342 49 W CB 0.076 29.529 29.460 -0.013 0.000 1.135 49 W HN 0.210 nan 8.180 nan 0.000 0.654 50 E N -0.103 120.126 120.200 0.048 0.000 2.489 50 E HA -0.029 4.322 4.350 0.000 0.000 0.193 50 E C 0.404 176.946 176.600 -0.097 0.000 1.057 50 E CA 0.720 57.084 56.400 -0.060 0.000 0.866 50 E CB 0.026 29.695 29.700 -0.053 0.000 0.916 50 E HN 0.472 nan 8.360 nan 0.000 0.500 51 E N 0.529 120.680 120.200 -0.081 0.000 2.968 51 E HA 0.213 4.564 4.350 0.000 0.000 0.202 51 E C -0.141 176.421 176.600 -0.063 0.000 0.979 51 E CA -0.108 56.253 56.400 -0.064 0.000 1.192 51 E CB 0.740 30.422 29.700 -0.030 0.000 1.059 51 E HN 0.043 nan 8.360 nan 0.000 0.470 52 L N 1.270 122.437 121.223 -0.092 0.000 2.436 52 L HA 0.423 4.764 4.340 0.000 0.000 0.265 52 L C 0.564 177.487 176.870 0.088 0.000 1.168 52 L CA -0.610 54.200 54.840 -0.051 0.000 0.815 52 L CB 0.646 42.660 42.059 -0.075 0.000 1.109 52 L HN 0.069 nan 8.230 nan 0.000 0.462 53 A N 3.481 126.364 122.820 0.104 0.000 2.316 53 A HA 0.590 4.910 4.320 0.000 0.000 0.284 53 A C -2.317 175.387 177.584 0.199 0.000 1.115 53 A CA -1.504 50.622 52.037 0.148 0.000 0.812 53 A CB -0.029 19.030 19.000 0.099 0.000 1.064 53 A HN 0.422 nan 8.150 nan 0.000 0.489 54 P HA 0.085 nan 4.420 nan 0.000 0.271 54 P C -0.983 176.270 177.300 -0.078 0.000 1.216 54 P CA 0.065 63.097 63.100 -0.113 0.000 0.771 54 P CB 0.660 32.280 31.700 -0.133 0.000 0.864 55 D N 3.177 123.511 120.400 -0.111 0.000 2.456 55 D HA 0.133 4.773 4.640 0.000 0.000 0.219 55 D C 0.473 176.736 176.300 -0.061 0.000 1.126 55 D CA -0.277 53.742 54.000 0.032 0.000 0.890 55 D CB -0.165 40.726 40.800 0.151 0.000 1.025 55 D HN 0.217 nan 8.370 nan 0.000 0.511 56 L N 3.724 124.853 121.223 -0.156 0.000 2.685 56 L HA 0.124 4.464 4.340 0.000 0.000 0.233 56 L C 1.685 178.487 176.870 -0.114 0.000 1.173 56 L CA -0.292 54.453 54.840 -0.158 0.000 0.961 56 L CB -0.120 41.835 42.059 -0.173 0.000 1.217 56 L HN 0.437 nan 8.230 nan 0.000 0.478 57 H N 0.137 119.246 119.070 0.066 0.000 2.343 57 H HA 0.134 4.690 4.556 0.001 0.000 0.303 57 H C 0.999 176.352 175.328 0.041 0.000 1.068 57 H CA 0.682 56.767 56.048 0.062 0.000 1.359 57 H CB 0.344 30.165 29.762 0.098 0.000 1.402 57 H HN 0.225 nan 8.280 nan 0.000 0.515 58 L N 1.370 122.692 121.223 0.164 0.000 2.399 58 L HA 0.171 4.511 4.340 0.000 0.000 0.266 58 L C 0.536 177.437 176.870 0.051 0.000 1.114 58 L CA -0.264 54.630 54.840 0.091 0.000 0.804 58 L CB 0.888 42.994 42.059 0.078 0.000 1.146 58 L HN 0.025 nan 8.230 nan 0.000 0.451 59 K N 1.335 121.758 120.400 0.038 0.000 2.842 59 K HA 0.149 4.469 4.320 0.000 0.000 0.176 59 K C -0.422 176.192 176.600 0.024 0.000 1.080 59 K CA -0.357 55.947 56.287 0.028 0.000 0.954 59 K CB 0.292 32.804 32.500 0.020 0.000 1.203 59 K HN 0.532 nan 8.250 nan 0.000 0.611 60 D N 1.735 122.150 120.400 0.026 0.000 2.469 60 D HA 0.153 4.793 4.640 0.000 0.000 0.215 60 D C 0.950 177.254 176.300 0.006 0.000 1.154 60 D CA 0.252 54.258 54.000 0.010 0.000 0.832 60 D CB 0.412 41.213 40.800 0.001 0.000 1.008 60 D HN 0.557 nan 8.370 nan 0.000 0.506 61 G N -0.056 108.759 108.800 0.026 0.000 2.155 61 G HA2 -0.188 3.773 3.960 0.000 0.000 0.257 61 G HA3 -0.188 3.773 3.960 0.000 0.000 0.257 61 G C 0.702 175.598 174.900 -0.007 0.000 0.983 61 G CA 0.196 45.310 45.100 0.024 0.000 0.676 61 G HN 0.783 nan 8.290 nan 0.000 0.528 62 G N -1.373 107.425 108.800 -0.003 0.000 2.616 62 G HA2 0.518 4.478 3.960 0.000 0.000 0.268 62 G HA3 0.518 4.478 3.960 0.000 0.000 0.268 62 G C 0.006 174.919 174.900 0.022 0.000 1.213 62 G CA -0.310 44.757 45.100 -0.055 0.000 0.926 62 G HN 0.577 nan 8.290 nan 0.000 0.523 63 H N -1.022 118.073 119.070 0.042 0.000 2.871 63 H HA 0.042 4.598 4.556 0.000 0.000 0.355 63 H C -0.226 175.203 175.328 0.168 0.000 1.092 63 H CA -0.122 55.949 56.048 0.037 0.000 1.420 63 H CB 0.416 30.196 29.762 0.031 0.000 1.400 63 H HN 0.263 nan 8.280 nan 0.000 0.604 64 Y N 1.750 122.158 120.300 0.181 0.000 2.526 64 Y HA 0.033 4.583 4.550 0.001 0.000 0.330 64 Y C 0.858 176.766 175.900 0.013 0.000 1.156 64 Y CA 0.021 58.144 58.100 0.038 0.000 1.419 64 Y CB -0.001 38.491 38.460 0.053 0.000 1.250 64 Y HN 0.468 nan 8.280 nan 0.000 0.540 65 R N 3.351 123.858 120.500 0.012 0.000 2.494 65 R HA 0.488 4.828 4.340 0.000 0.000 0.305 65 R C -1.870 174.295 176.300 -0.225 0.000 0.959 65 R CA -0.530 55.589 56.100 0.032 0.000 0.864 65 R CB 0.740 31.099 30.300 0.099 0.000 1.159 65 R HN 0.545 nan 8.270 nan 0.000 0.446 66 Y N 3.335 123.738 120.300 0.171 0.000 2.468 66 Y HA 0.575 5.126 4.550 0.000 0.000 0.342 66 Y C 0.228 176.175 175.900 0.079 0.000 1.021 66 Y CA -0.737 57.423 58.100 0.100 0.000 1.079 66 Y CB 1.759 40.256 38.460 0.061 0.000 1.226 66 Y HN 0.576 nan 8.280 nan 0.000 0.460 67 R N 0.683 121.246 120.500 0.104 0.000 2.741 67 R HA 0.790 5.131 4.340 0.000 0.000 0.274 67 R C -1.752 174.466 176.300 -0.136 0.000 1.029 67 R CA -1.262 54.759 56.100 -0.132 0.000 0.880 67 R CB 1.992 32.084 30.300 -0.348 0.000 1.264 67 R HN 0.777 nan 8.270 nan 0.000 0.465 68 R N -0.419 119.944 120.500 -0.229 0.000 2.795 68 R HA 0.451 4.791 4.340 0.000 0.000 0.268 68 R C -1.483 174.764 176.300 -0.089 0.000 1.041 68 R CA -0.987 55.053 56.100 -0.101 0.000 0.927 68 R CB 2.349 32.571 30.300 -0.130 0.000 1.235 68 R HN 0.715 nan 8.270 nan 0.000 0.463 69 H N -0.590 118.442 119.070 -0.063 0.000 2.974 69 H HA 0.576 5.132 4.556 0.000 0.000 0.366 69 H C -1.535 173.810 175.328 0.027 0.000 1.155 69 H CA -0.658 55.336 56.048 -0.089 0.000 1.186 69 H CB 2.415 32.222 29.762 0.075 0.000 1.799 69 H HN 0.801 nan 8.280 nan 0.000 0.541 70 G N 1.883 110.422 108.800 -0.435 0.000 2.703 70 G HA2 0.501 4.461 3.960 0.000 0.000 0.294 70 G HA3 0.501 4.461 3.960 0.000 0.000 0.294 70 G C -1.538 173.087 174.900 -0.459 0.000 1.451 70 G CA -0.354 44.510 45.100 -0.394 0.000 0.869 70 G HN 0.718 nan 8.290 nan 0.000 0.516 71 C N -0.123 118.762 119.300 -0.691 0.000 2.889 71 C HA 0.968 5.429 4.460 0.000 0.000 0.307 71 C C -0.861 173.718 174.990 -0.686 0.000 1.251 71 C CA -0.613 58.145 59.018 -0.434 0.000 1.593 71 C CB 0.942 28.372 27.740 -0.516 0.000 2.104 71 C HN 0.638 nan 8.230 nan 0.000 0.476 75 T N 4.678 119.239 114.554 0.012 0.000 2.795 75 T HA 0.381 4.731 4.350 0.000 0.000 0.282 75 T C 1.088 175.789 174.700 0.002 0.000 0.980 75 T CA -0.473 61.614 62.100 -0.021 0.000 1.012 75 T CB 0.901 69.757 68.868 -0.020 0.000 0.936 75 T HN 0.586 nan 8.240 nan 0.000 0.457 76 L N 1.163 122.372 121.223 -0.023 0.000 2.162 76 L HA 0.161 4.501 4.340 0.000 0.000 0.205 76 L C 1.003 177.868 176.870 -0.008 0.000 1.086 76 L CA 0.771 55.608 54.840 -0.006 0.000 0.778 76 L CB 0.136 42.175 42.059 -0.034 0.000 0.928 76 L HN 0.494 nan 8.230 nan 0.000 0.446 77 Q N 0.942 120.730 119.800 -0.019 0.000 2.295 77 Q HA 0.338 4.678 4.340 0.000 0.000 0.259 77 Q C -2.589 173.403 176.000 -0.013 0.000 0.966 77 Q CA -1.799 53.995 55.803 -0.014 0.000 0.763 77 Q CB 1.218 29.946 28.738 -0.017 0.000 1.283 77 Q HN -0.094 nan 8.270 nan 0.000 0.445 78 P HA 0.342 nan 4.420 nan 0.000 0.275 78 P C 0.021 177.323 177.300 0.003 0.000 1.227 78 P CA -0.277 62.822 63.100 -0.001 0.000 0.781 78 P CB 0.944 32.645 31.700 0.002 0.000 0.906 79 G N 1.838 110.642 108.800 0.006 0.000 2.299 79 G HA2 0.249 4.209 3.960 0.000 0.000 0.256 79 G HA3 0.249 4.209 3.960 0.000 0.000 0.256 79 G C -0.437 174.474 174.900 0.018 0.000 1.259 79 G CA -0.056 45.052 45.100 0.014 0.000 0.943 79 G HN 0.688 nan 8.290 nan 0.000 0.479 80 Q N 0.942 120.757 119.800 0.026 0.000 2.435 80 Q HA 0.560 4.901 4.340 0.000 0.000 0.282 80 Q C -1.950 174.079 176.000 0.049 0.000 1.020 80 Q CA -0.924 54.899 55.803 0.034 0.000 0.820 80 Q CB 2.381 31.138 28.738 0.032 0.000 1.436 80 Q HN 0.490 nan 8.270 nan 0.000 0.395 81 L N 2.734 123.992 121.223 0.059 0.000 2.362 81 L HA 0.591 4.931 4.340 0.000 0.000 0.275 81 L C -1.515 175.429 176.870 0.123 0.000 0.998 81 L CA 0.058 54.949 54.840 0.087 0.000 0.820 81 L CB 1.720 43.810 42.059 0.052 0.000 1.270 81 L HN 0.719 nan 8.230 nan 0.000 0.415 82 E N 1.844 122.150 120.200 0.177 0.000 2.383 82 E HA 0.526 4.876 4.350 0.000 0.000 0.275 82 E C -1.168 175.590 176.600 0.263 0.000 0.918 82 E CA -0.825 55.686 56.400 0.185 0.000 0.764 82 E CB 1.495 31.266 29.700 0.118 0.000 1.252 82 E HN 0.566 nan 8.360 nan 0.000 0.449 83 T N -0.855 113.811 114.554 0.188 0.000 2.813 83 T HA 0.444 4.795 4.350 0.000 0.000 0.297 83 T C 0.675 175.377 174.700 0.003 0.000 1.036 83 T CA -0.209 61.900 62.100 0.015 0.000 1.044 83 T CB 1.084 69.931 68.868 -0.035 0.000 0.993 83 T HN 0.753 nan 8.240 nan 0.000 0.535 84 V N -0.804 119.057 119.914 -0.088 0.000 3.102 84 V HA 0.586 4.706 4.120 0.000 0.000 0.312 84 V C -0.281 175.778 176.094 -0.059 0.000 1.135 84 V CA -1.474 60.826 62.300 -0.001 0.000 1.022 84 V CB 1.584 33.478 31.823 0.119 0.000 1.056 84 V HN 1.135 nan 8.190 nan 0.000 0.436 85 Q N 1.155 120.954 119.800 -0.001 0.000 2.349 85 Q HA 0.100 4.440 4.340 0.000 0.000 0.287 85 Q C -0.036 175.971 176.000 0.012 0.000 1.044 85 Q CA 0.137 55.953 55.803 0.021 0.000 0.918 85 Q CB 0.159 28.930 28.738 0.054 0.000 1.242 85 Q HN 1.000 nan 8.270 nan 0.000 0.405 86 H N 3.057 122.110 119.070 -0.028 0.000 3.064 86 H HA 0.016 4.572 4.556 0.001 0.000 0.329 86 H C -0.545 174.869 175.328 0.143 0.000 1.020 86 H CA 1.295 57.353 56.048 0.018 0.000 1.402 86 H CB 0.356 30.184 29.762 0.110 0.000 1.379 86 H HN 0.652 nan 8.280 nan 0.000 0.594 87 R N 2.710 122.901 120.500 -0.515 0.000 2.752 87 R HA 0.759 5.100 4.340 0.000 0.000 0.271 87 R C -1.393 174.279 176.300 -1.048 0.000 1.026 87 R CA -0.958 54.784 56.100 -0.596 0.000 0.901 87 R CB 1.002 31.045 30.300 -0.428 0.000 1.243 87 R HN 0.568 nan 8.270 nan 0.000 0.463 88 A N 0.696 122.660 122.820 -1.427 0.000 2.332 88 A HA 0.309 4.630 4.320 0.000 0.000 0.258 88 A C -0.892 176.414 177.584 -0.464 0.000 1.087 88 A CA -0.284 50.984 52.037 -1.282 0.000 0.802 88 A CB 0.222 18.337 19.000 -1.475 0.000 1.042 88 A HN 0.759 nan 8.150 nan 0.000 0.489 89 H N -0.035 118.783 119.070 -0.420 0.000 2.488 89 H HA 0.436 4.992 4.556 0.001 0.000 0.322 89 H C -1.264 174.057 175.328 -0.011 0.000 1.078 89 H CA -0.489 55.480 56.048 -0.131 0.000 1.260 89 H CB 0.549 30.262 29.762 -0.082 0.000 1.425 89 H HN 0.678 nan 8.280 nan 0.000 0.471 90 W N 5.106 126.026 121.300 -0.632 0.000 2.315 90 W HA 0.317 4.977 4.660 0.001 0.000 0.316 90 W C -0.792 175.458 176.519 -0.448 0.000 1.211 90 W CA -0.536 56.552 57.345 -0.429 0.000 1.201 90 W CB 0.859 30.174 29.460 -0.242 0.000 1.184 90 W HN 0.701 nan 8.180 nan 0.000 0.544 91 Q N 6.930 126.455 119.800 -0.459 0.000 3.230 91 Q HA 0.195 4.535 4.340 0.000 0.000 0.303 91 Q C -2.080 173.544 176.000 -0.626 0.000 0.884 91 Q CA -1.531 54.008 55.803 -0.441 0.000 0.859 91 Q CB 1.101 29.725 28.738 -0.191 0.000 1.432 91 Q HN 0.217 nan 8.270 nan 0.000 0.403 92 P HA -0.013 nan 4.420 nan 0.000 0.272 92 P C 0.828 177.763 177.300 -0.610 0.000 1.230 92 P CA 0.032 62.587 63.100 -0.908 0.000 0.788 92 P CB 1.089 31.983 31.700 -1.344 0.000 0.949 93 T N -2.872 111.434 114.554 -0.413 0.000 3.072 93 T HA 0.026 4.376 4.350 0.000 0.000 0.266 93 T C 0.755 175.225 174.700 -0.384 0.000 1.127 93 T CA 0.853 62.754 62.100 -0.330 0.000 1.107 93 T CB -0.419 68.327 68.868 -0.204 0.000 0.910 93 T HN 0.598 nan 8.240 nan 0.000 0.513 94 T N -0.590 113.694 114.554 -0.449 0.000 2.923 94 T HA 0.450 4.801 4.350 0.000 0.000 0.311 94 T C -0.734 173.676 174.700 -0.484 0.000 1.183 94 T CA -0.818 61.030 62.100 -0.421 0.000 1.020 94 T CB 1.073 69.823 68.868 -0.197 0.000 1.165 94 T HN 0.035 nan 8.240 nan 0.000 0.482 95 Y N 2.353 122.582 120.300 -0.117 0.000 2.632 95 Y HA 0.163 4.713 4.550 0.000 0.000 0.301 95 Y C 2.155 178.040 175.900 -0.024 0.000 1.172 95 Y CA 0.038 58.089 58.100 -0.082 0.000 1.328 95 Y CB -0.282 38.157 38.460 -0.035 0.000 1.016 95 Y HN 0.527 nan 8.280 nan 0.000 0.529 96 N N 0.371 119.104 118.700 0.056 0.000 2.461 96 N HA 0.074 4.814 4.740 0.000 0.000 0.188 96 N C 0.566 176.118 175.510 0.070 0.000 1.134 96 N CA 0.414 53.501 53.050 0.062 0.000 0.878 96 N CB -0.033 38.472 38.487 0.029 0.000 0.972 96 N HN 0.166 nan 8.380 nan 0.000 0.456 97 A N 0.353 123.197 122.820 0.039 0.000 2.440 97 A HA 0.259 4.579 4.320 0.000 0.000 0.251 97 A C 1.155 178.931 177.584 0.320 0.000 1.089 97 A CA -0.120 51.982 52.037 0.108 0.000 0.779 97 A CB 0.285 19.247 19.000 -0.063 0.000 1.022 97 A HN 0.218 nan 8.150 nan 0.000 0.492 98 L N 1.208 122.615 121.223 0.307 0.000 2.470 98 L HA 0.225 4.565 4.340 0.000 0.000 0.219 98 L C 0.947 178.015 176.870 0.330 0.000 1.071 98 L CA 0.362 55.373 54.840 0.284 0.000 0.850 98 L CB -0.010 42.151 42.059 0.170 0.000 1.040 98 L HN 0.880 nan 8.230 nan 0.000 0.475 99 H N -0.818 118.407 119.070 0.258 0.000 3.014 99 H HA 0.427 4.984 4.556 0.001 0.000 0.337 99 H C -0.199 175.293 175.328 0.273 0.000 1.320 99 H CA 0.415 56.564 56.048 0.168 0.000 1.128 99 H CB 1.967 31.767 29.762 0.064 0.000 1.862 99 H HN 0.129 nan 8.280 nan 0.000 0.536 100 G N 0.615 109.344 108.800 -0.118 0.000 2.542 100 G HA2 0.302 4.262 3.960 0.000 0.000 0.235 100 G HA3 0.302 4.262 3.960 0.000 0.000 0.235 100 G C 0.477 175.560 174.900 0.305 0.000 1.286 100 G CA 0.815 45.971 45.100 0.093 0.000 0.904 100 G HN 1.951 nan 8.290 nan 0.000 0.577 104 R N 2.240 122.491 120.500 -0.416 0.000 2.437 104 R HA 0.334 4.674 4.340 0.000 0.000 0.310 104 R C -1.141 174.659 176.300 -0.834 0.000 0.955 104 R CA -0.566 55.129 56.100 -0.675 0.000 0.851 104 R CB 1.091 30.869 30.300 -0.870 0.000 1.161 104 R HN 0.414 nan 8.270 nan 0.000 0.446 105 W N 3.421 124.433 121.300 -0.479 0.000 2.338 105 W HA 0.362 5.022 4.660 0.000 0.000 0.307 105 W C -0.128 176.234 176.519 -0.260 0.000 1.167 105 W CA -0.167 57.026 57.345 -0.254 0.000 1.208 105 W CB 0.599 30.031 29.460 -0.046 0.000 1.228 105 W HN 0.388 nan 8.180 nan 0.000 0.499 106 F N 1.155 121.379 119.950 0.456 0.000 2.613 106 F HA 0.384 4.911 4.527 0.001 0.000 0.342 106 F C 0.677 176.738 175.800 0.436 0.000 1.066 106 F CA -1.531 56.697 58.000 0.381 0.000 1.002 106 F CB 0.734 39.883 39.000 0.249 0.000 1.319 106 F HN 0.079 nan 8.300 nan 0.000 0.495 107 E N 2.227 122.708 120.200 0.468 0.000 2.354 107 E HA 0.237 4.587 4.350 0.000 0.000 0.269 107 E C -2.430 174.239 176.600 0.114 0.000 1.036 107 E CA -1.887 54.640 56.400 0.211 0.000 0.876 107 E CB 0.334 30.102 29.700 0.113 0.000 1.009 107 E HN 0.094 nan 8.360 nan 0.000 0.416 108 P HA 0.076 nan 4.420 nan 0.000 0.272 108 P C 0.184 177.395 177.300 -0.148 0.000 1.223 108 P CA -0.155 62.791 63.100 -0.257 0.000 0.784 108 P CB 0.531 31.928 31.700 -0.505 0.000 0.923 109 L N 0.683 121.814 121.223 -0.153 0.000 2.499 109 L HA 0.017 4.357 4.340 0.000 0.000 0.281 109 L C 1.386 178.113 176.870 -0.239 0.000 1.234 109 L CA 0.101 54.805 54.840 -0.227 0.000 0.839 109 L CB -0.302 41.592 42.059 -0.275 0.000 1.104 109 L HN 0.452 nan 8.230 nan 0.000 0.500 110 S N 1.683 117.210 115.700 -0.289 0.000 2.546 110 S HA -0.073 4.397 4.470 0.000 0.000 0.290 110 S C 1.155 175.590 174.600 -0.274 0.000 1.290 110 S CA -0.324 57.726 58.200 -0.250 0.000 1.069 110 S CB 0.272 63.291 63.200 -0.301 0.000 0.846 110 S HN 0.768 nan 8.310 nan 0.000 0.495 111 N N 2.820 121.436 118.700 -0.140 0.000 2.166 111 N HA -0.113 4.627 4.740 0.000 0.000 0.186 111 N C 0.793 176.304 175.510 0.003 0.000 1.019 111 N CA 0.807 53.828 53.050 -0.049 0.000 0.856 111 N CB -0.018 38.462 38.487 -0.011 0.000 0.993 111 N HN 0.717 nan 8.380 nan 0.000 0.426 115 H N 2.225 121.227 119.070 -0.113 0.000 2.539 115 H HA 0.503 5.059 4.556 0.000 0.000 0.269 115 H C 0.513 175.851 175.328 0.017 0.000 0.980 115 H CA 0.057 56.102 56.048 -0.006 0.000 1.152 115 H CB 0.230 29.984 29.762 -0.013 0.000 1.407 115 H HN 0.202 nan 8.280 nan 0.000 0.564 116 L N 1.331 122.601 121.223 0.078 0.000 2.439 116 L HA 0.066 4.406 4.340 0.000 0.000 0.269 116 L C -1.025 175.882 176.870 0.061 0.000 1.179 116 L CA -1.485 53.401 54.840 0.076 0.000 0.828 116 L CB 0.898 43.008 42.059 0.084 0.000 1.106 116 L HN 0.073 nan 8.230 nan 0.000 0.467 117 P HA -0.152 nan 4.420 nan 0.000 0.217 117 P C 1.558 178.785 177.300 -0.121 0.000 1.150 117 P CA 1.214 64.286 63.100 -0.047 0.000 0.832 117 P CB 0.165 31.822 31.700 -0.072 0.000 0.787 118 S N -1.634 113.929 115.700 -0.229 0.000 2.402 118 S HA -0.192 4.278 4.470 0.000 0.000 0.229 118 S C 1.983 176.473 174.600 -0.183 0.000 1.021 118 S CA 0.404 58.303 58.200 -0.500 0.000 0.974 118 S CB -1.715 60.925 63.200 -0.933 0.000 0.800 118 S HN 0.298 nan 8.310 nan 0.000 0.484 119 W N 2.482 123.688 121.300 -0.157 0.000 2.332 119 W HA -0.157 4.503 4.660 0.000 0.000 0.321 119 W C 2.137 178.593 176.519 -0.106 0.000 1.219 119 W CA 1.728 59.028 57.345 -0.076 0.000 1.277 119 W CB -0.702 28.705 29.460 -0.088 0.000 1.161 119 W HN 0.394 nan 8.180 nan 0.000 0.476 120 S N 0.816 116.504 115.700 -0.019 0.000 2.368 120 S HA -0.170 4.300 4.470 0.000 0.000 0.225 120 S C 2.065 176.581 174.600 -0.139 0.000 1.030 120 S CA 1.669 59.797 58.200 -0.119 0.000 0.999 120 S CB -0.820 62.368 63.200 -0.020 0.000 0.844 120 S HN 0.389 nan 8.310 nan 0.000 0.459 121 A N 1.313 124.066 122.820 -0.112 0.000 1.908 121 A HA -0.091 4.229 4.320 0.000 0.000 0.218 121 A C 2.111 179.664 177.584 -0.052 0.000 1.181 121 A CA 1.481 53.467 52.037 -0.085 0.000 0.627 121 A CB -0.737 18.191 19.000 -0.119 0.000 0.818 121 A HN 0.414 nan 8.150 nan 0.000 0.445 122 L N -0.730 120.469 121.223 -0.040 0.000 1.961 122 L HA -0.117 4.224 4.340 0.000 0.000 0.210 122 L C 2.240 179.025 176.870 -0.142 0.000 1.072 122 L CA 1.893 56.726 54.840 -0.013 0.000 0.749 122 L CB -0.742 41.336 42.059 0.031 0.000 0.889 122 L HN 0.278 nan 8.230 nan 0.000 0.432 123 L N -1.199 119.838 121.223 -0.309 0.000 2.079 123 L HA -0.179 4.161 4.340 0.000 0.000 0.210 123 L C 2.449 179.299 176.870 -0.034 0.000 1.081 123 L CA 1.317 56.023 54.840 -0.222 0.000 0.752 123 L CB -1.039 40.718 42.059 -0.502 0.000 0.896 123 L HN 0.116 nan 8.230 nan 0.000 0.433 124 V N -0.617 119.252 119.914 -0.075 0.000 2.307 124 V HA -0.251 3.870 4.120 0.000 0.000 0.245 124 V C 2.653 178.725 176.094 -0.036 0.000 1.045 124 V CA 1.581 63.873 62.300 -0.013 0.000 1.024 124 V CB -1.019 30.789 31.823 -0.026 0.000 0.651 124 V HN 0.481 nan 8.190 nan 0.000 0.449 125 A N -0.283 122.488 122.820 -0.080 0.000 1.902 125 A HA -0.153 4.168 4.320 0.000 0.000 0.217 125 A C 2.198 179.640 177.584 -0.236 0.000 1.181 125 A CA 1.780 53.743 52.037 -0.122 0.000 0.623 125 A CB -0.527 18.412 19.000 -0.102 0.000 0.818 125 A HN 0.508 nan 8.150 nan 0.000 0.443 126 L N -0.871 120.173 121.223 -0.297 0.000 2.093 126 L HA -0.073 4.267 4.340 0.000 0.000 0.208 126 L C 2.839 179.228 176.870 -0.801 0.000 1.085 126 L CA 0.958 55.413 54.840 -0.641 0.000 0.755 126 L CB -0.823 40.916 42.059 -0.534 0.000 0.904 126 L HN 0.480 nan 8.230 nan 0.000 0.435 127 G N -0.306 108.276 108.800 -0.364 0.000 2.418 127 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 127 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 127 G C 1.444 176.418 174.900 0.123 0.000 1.158 127 G CA 0.606 45.655 45.100 -0.085 0.000 0.771 127 G HN 0.388 nan 8.290 nan 0.000 0.545 128 E N -0.331 119.872 120.200 0.005 0.000 2.072 128 E HA -0.026 4.324 4.350 0.000 0.000 0.191 128 E C 2.398 178.956 176.600 -0.070 0.000 0.985 128 E CA 0.526 56.932 56.400 0.010 0.000 0.801 128 E CB -0.152 29.530 29.700 -0.031 0.000 0.750 128 E HN 0.426 nan 8.360 nan 0.000 0.452 129 L N 0.134 121.212 121.223 -0.242 0.000 1.994 129 L HA -0.190 4.151 4.340 0.000 0.000 0.208 129 L C 2.050 178.738 176.870 -0.304 0.000 1.071 129 L CA 1.289 55.933 54.840 -0.327 0.000 0.745 129 L CB -0.160 41.587 42.059 -0.521 0.000 0.892 129 L HN 0.062 nan 8.230 nan 0.000 0.431 130 F N 0.532 120.225 119.950 -0.429 0.000 2.161 130 F HA -0.172 4.355 4.527 0.000 0.000 0.300 130 F C 2.675 178.354 175.800 -0.201 0.000 1.089 130 F CA 0.944 58.496 58.000 -0.746 0.000 1.282 130 F CB -1.407 36.872 39.000 -1.200 0.000 1.010 130 F HN 0.182 nan 8.300 nan 0.000 0.485 131 A N -0.318 122.732 122.820 0.383 0.000 2.070 131 A HA -0.150 4.170 4.320 0.000 0.000 0.220 131 A C 2.250 179.917 177.584 0.138 0.000 1.159 131 A CA 1.152 53.391 52.037 0.336 0.000 0.656 131 A CB -0.463 18.675 19.000 0.229 0.000 0.800 131 A HN 0.130 nan 8.150 nan 0.000 0.453 132 K N -0.461 119.976 120.400 0.062 0.000 2.283 132 K HA 0.062 4.382 4.320 0.000 0.000 0.202 132 K C 1.643 178.273 176.600 0.050 0.000 1.048 132 K CA 0.696 56.999 56.287 0.028 0.000 0.948 132 K CB -0.298 32.193 32.500 -0.016 0.000 0.742 132 K HN 0.547 nan 8.250 nan 0.000 0.458 133 L N -0.722 120.544 121.223 0.073 0.000 2.145 133 L HA 0.042 4.382 4.340 0.000 0.000 0.201 133 L C 1.018 178.024 176.870 0.227 0.000 1.075 133 L CA 0.461 55.386 54.840 0.141 0.000 0.773 133 L CB 0.252 42.423 42.059 0.187 0.000 0.936 133 L HN -0.058 nan 8.230 nan 0.000 0.451 134 R N 0.189 120.888 120.500 0.332 0.000 2.575 134 R HA 0.425 4.765 4.340 0.000 0.000 0.292 134 R C -0.855 175.615 176.300 0.282 0.000 1.246 134 R CA -0.341 55.960 56.100 0.335 0.000 0.973 134 R CB 1.337 31.914 30.300 0.461 0.000 1.187 134 R HN 0.077 nan 8.270 nan 0.000 0.478 135 A N 5.532 128.420 122.820 0.113 0.000 2.524 135 A HA 0.286 4.607 4.320 0.000 0.000 0.250 135 A C -1.979 175.515 177.584 -0.149 0.000 1.078 135 A CA -0.785 51.237 52.037 -0.025 0.000 0.761 135 A CB -0.196 18.784 19.000 -0.034 0.000 1.012 135 A HN 0.489 nan 8.150 nan 0.000 0.500 136 P HA 0.117 nan 4.420 nan 0.000 0.277 136 P C -0.392 176.743 177.300 -0.275 0.000 1.240 136 P CA -0.517 62.264 63.100 -0.531 0.000 0.798 136 P CB 0.474 31.424 31.700 -1.250 0.000 0.979 137 Q N 1.055 120.771 119.800 -0.140 0.000 2.308 137 Q HA 0.091 4.432 4.340 0.000 0.000 0.313 137 Q C 1.112 177.067 176.000 -0.076 0.000 1.075 137 Q CA 1.249 57.011 55.803 -0.068 0.000 0.995 137 Q CB -0.667 28.065 28.738 -0.011 0.000 1.107 137 Q HN 0.866 nan 8.270 nan 0.000 0.380 138 G N 3.147 111.909 108.800 -0.062 0.000 2.233 138 G HA2 -0.306 3.654 3.960 0.000 0.000 0.270 138 G HA3 -0.306 3.654 3.960 0.000 0.000 0.270 138 G C 0.703 175.546 174.900 -0.095 0.000 1.011 138 G CA 0.509 45.576 45.100 -0.055 0.000 0.762 138 G HN 1.741 nan 8.290 nan 0.000 0.511 139 G N -1.422 107.288 108.800 -0.151 0.000 2.283 139 G HA2 -0.276 3.684 3.960 0.000 0.000 0.280 139 G HA3 -0.276 3.684 3.960 0.000 0.000 0.280 139 G C 0.267 175.026 174.900 -0.235 0.000 1.029 139 G CA 1.097 46.080 45.100 -0.195 0.000 0.840 139 G HN 1.093 nan 8.290 nan 0.000 0.505 140 R N -1.463 118.867 120.500 -0.283 0.000 2.534 140 R HA 0.510 4.851 4.340 0.000 0.000 0.301 140 R C -0.722 175.370 176.300 -0.347 0.000 0.961 140 R CA -0.773 55.151 56.100 -0.294 0.000 0.871 140 R CB 1.371 31.492 30.300 -0.298 0.000 1.170 140 R HN 0.269 nan 8.270 nan 0.000 0.446 141 W N 2.187 123.402 121.300 -0.141 0.000 2.469 141 W HA 0.339 5.000 4.660 0.001 0.000 0.320 141 W C -0.462 175.828 176.519 -0.381 0.000 1.086 141 W CA -0.718 56.590 57.345 -0.063 0.000 1.211 141 W CB 1.051 30.633 29.460 0.203 0.000 1.298 141 W HN 0.432 nan 8.180 nan 0.000 0.525 142 Y N 3.948 124.334 120.300 0.143 0.000 2.353 142 Y HA 0.468 5.019 4.550 0.000 0.000 0.340 142 Y C 0.211 176.094 175.900 -0.028 0.000 0.972 142 Y CA -0.710 57.212 58.100 -0.298 0.000 1.157 142 Y CB 0.436 38.324 38.460 -0.955 0.000 1.157 142 Y HN 0.063 nan 8.280 nan 0.000 0.495 143 I N 4.000 124.717 120.570 0.244 0.000 2.378 143 I HA 0.343 4.514 4.170 0.000 0.000 0.291 143 I C -0.444 175.942 176.117 0.448 0.000 0.992 143 I CA -0.719 60.650 61.300 0.115 0.000 1.154 143 I CB 1.608 39.516 38.000 -0.154 0.000 1.315 143 I HN 0.536 nan 8.210 nan 0.000 0.448 144 E N 4.885 125.299 120.200 0.357 0.000 2.195 144 E HA 0.710 5.060 4.350 0.000 0.000 0.271 144 E C -0.866 175.882 176.600 0.245 0.000 0.923 144 E CA -0.911 55.678 56.400 0.316 0.000 0.790 144 E CB 2.490 32.463 29.700 0.455 0.000 1.155 144 E HN 0.662 nan 8.360 nan 0.000 0.402 145 A N 3.363 126.282 122.820 0.166 0.000 2.318 145 A HA 0.444 4.765 4.320 0.000 0.000 0.317 145 A C -0.975 176.581 177.584 -0.046 0.000 1.159 145 A CA -0.672 51.507 52.037 0.237 0.000 0.799 145 A CB 0.608 19.940 19.000 0.555 0.000 1.194 145 A HN 0.662 nan 8.150 nan 0.000 0.479 146 H N 3.875 123.022 119.070 0.129 0.000 2.791 146 H HA 0.264 4.820 4.556 0.000 0.000 0.272 146 H C -2.783 172.362 175.328 -0.305 0.000 1.188 146 H CA -1.501 54.417 56.048 -0.216 0.000 1.436 146 H CB 1.320 30.863 29.762 -0.365 0.000 1.467 146 H HN 0.495 nan 8.280 nan 0.000 0.500 147 P HA 0.157 nan 4.420 nan 0.000 0.276 147 P C -0.610 176.540 177.300 -0.249 0.000 1.230 147 P CA -0.054 63.012 63.100 -0.057 0.000 0.776 147 P CB 0.713 32.114 31.700 -0.498 0.000 0.888 148 F N 1.950 122.096 119.950 0.326 0.000 2.551 148 F HA 0.553 5.081 4.527 0.000 0.000 0.316 148 F C 0.861 176.875 175.800 0.357 0.000 1.089 148 F CA -0.689 57.459 58.000 0.247 0.000 0.915 148 F CB 2.566 41.698 39.000 0.220 0.000 1.186 148 F HN 0.182 nan 8.300 nan 0.000 0.456 149 R N 3.621 124.421 120.500 0.500 0.000 2.513 149 R HA 0.657 4.998 4.340 0.000 0.000 0.301 149 R C -1.979 174.567 176.300 0.410 0.000 0.968 149 R CA -0.540 55.805 56.100 0.409 0.000 0.872 149 R CB 1.088 31.541 30.300 0.255 0.000 1.177 149 R HN 0.552 nan 8.270 nan 0.000 0.444 150 I N 3.546 124.307 120.570 0.318 0.000 2.339 150 I HA 0.305 4.475 4.170 0.000 0.000 0.290 150 I C -0.518 175.747 176.117 0.247 0.000 0.994 150 I CA -0.469 60.993 61.300 0.271 0.000 1.191 150 I CB 1.459 39.566 38.000 0.179 0.000 1.343 150 I HN 0.675 nan 8.210 nan 0.000 0.458 151 D N 4.199 124.764 120.400 0.275 0.000 2.391 151 D HA 0.210 4.851 4.640 0.000 0.000 0.245 151 D C 0.820 177.110 176.300 -0.017 0.000 1.069 151 D CA -0.194 53.929 54.000 0.206 0.000 0.831 151 D CB 2.265 43.286 40.800 0.368 0.000 1.204 151 D HN 0.632 nan 8.370 nan 0.000 0.503 152 T N 0.131 114.563 114.554 -0.203 0.000 3.194 152 T HA -0.042 4.309 4.350 0.000 0.000 0.251 152 T C 1.257 175.840 174.700 -0.195 0.000 1.132 152 T CA 0.135 61.986 62.100 -0.416 0.000 1.028 152 T CB -0.183 68.399 68.868 -0.477 0.000 0.976 152 T HN 0.577 nan 8.240 nan 0.000 0.535 153 E N 0.933 121.052 120.200 -0.135 0.000 2.333 153 E HA 0.115 4.466 4.350 0.000 0.000 0.198 153 E C 1.052 177.466 176.600 -0.309 0.000 1.007 153 E CA 0.486 56.816 56.400 -0.118 0.000 0.845 153 E CB -0.191 29.531 29.700 0.038 0.000 0.766 153 E HN 0.583 nan 8.360 nan 0.000 0.507 154 G N -0.642 107.707 108.800 -0.751 0.000 2.690 154 G HA2 0.518 4.478 3.960 0.000 0.000 0.293 154 G HA3 0.518 4.478 3.960 0.000 0.000 0.293 154 G C -0.290 174.265 174.900 -0.575 0.000 1.399 154 G CA -0.255 44.267 45.100 -0.963 0.000 0.890 154 G HN 0.504 nan 8.290 nan 0.000 0.485 155 G N -1.863 106.816 108.800 -0.201 0.000 2.756 155 G HA2 0.298 4.258 3.960 0.000 0.000 0.678 155 G HA3 0.298 4.258 3.960 0.000 0.000 0.678 155 G C -0.850 174.005 174.900 -0.076 0.000 1.349 155 G CA -0.173 44.896 45.100 -0.051 0.000 0.847 155 G HN 1.643 nan 8.290 nan 0.000 0.548 156 V N 0.616 120.400 119.914 -0.217 0.000 2.531 156 V HA 0.742 4.862 4.120 0.000 0.000 0.301 156 V C 1.030 176.804 176.094 -0.535 0.000 1.034 156 V CA 0.003 62.122 62.300 -0.302 0.000 0.865 156 V CB 1.649 33.394 31.823 -0.130 0.000 0.995 156 V HN 1.818 nan 8.190 nan 0.000 0.424 157 G N 4.617 112.965 108.800 -0.754 0.000 2.355 157 G HA2 0.600 4.560 3.960 0.000 0.000 0.276 157 G HA3 0.600 4.560 3.960 0.000 0.000 0.276 157 G C -0.331 174.458 174.900 -0.185 0.000 1.198 157 G CA -0.382 44.418 45.100 -0.501 0.000 0.876 157 G HN 0.474 nan 8.290 nan 0.000 0.478 158 R N 2.000 122.423 120.500 -0.130 0.000 2.837 158 R HA 0.408 4.748 4.340 0.000 0.000 0.271 158 R C -2.754 173.515 176.300 -0.052 0.000 0.993 158 R CA -2.054 54.002 56.100 -0.074 0.000 0.931 158 R CB 0.929 31.187 30.300 -0.070 0.000 1.206 158 R HN 0.318 nan 8.270 nan 0.000 0.474 159 P HA 0.026 nan 4.420 nan 0.000 0.264 159 P C -0.542 176.737 177.300 -0.036 0.000 1.183 159 P CA 0.361 63.444 63.100 -0.029 0.000 0.763 159 P CB 0.227 31.912 31.700 -0.024 0.000 0.807 160 T N 5.515 120.049 114.554 -0.034 0.000 2.849 160 T HA -0.016 4.334 4.350 0.000 0.000 0.289 160 T C -1.228 173.446 174.700 -0.043 0.000 1.010 160 T CA -0.531 61.544 62.100 -0.043 0.000 1.161 160 T CB -0.349 68.495 68.868 -0.039 0.000 0.989 160 T HN 0.375 nan 8.240 nan 0.000 0.523 161 P HA -0.118 nan 4.420 nan 0.000 0.216 161 P C 1.393 178.664 177.300 -0.048 0.000 1.150 161 P CA 0.972 64.044 63.100 -0.047 0.000 0.843 161 P CB 0.202 31.872 31.700 -0.049 0.000 0.787 162 E N -0.980 119.189 120.200 -0.051 0.000 2.481 162 E HA 0.110 4.460 4.350 0.000 0.000 0.195 162 E C 1.421 177.997 176.600 -0.040 0.000 1.047 162 E CA 0.766 57.137 56.400 -0.048 0.000 0.867 162 E CB -0.339 29.331 29.700 -0.050 0.000 0.858 162 E HN 0.185 nan 8.360 nan 0.000 0.513 163 G N 1.563 110.342 108.800 -0.036 0.000 2.552 163 G HA2 -0.322 3.638 3.960 0.000 0.000 0.265 163 G HA3 -0.322 3.638 3.960 0.000 0.000 0.265 163 G C 0.219 175.118 174.900 -0.001 0.000 1.234 163 G CA -0.025 45.053 45.100 -0.037 0.000 0.944 163 G HN 0.519 nan 8.290 nan 0.000 0.568 164 A N 1.490 124.290 122.820 -0.034 0.000 2.445 164 A HA 0.594 4.914 4.320 0.000 0.000 0.242 164 A C 0.605 178.186 177.584 -0.004 0.000 1.075 164 A CA 1.155 53.184 52.037 -0.014 0.000 0.777 164 A CB -0.140 18.865 19.000 0.008 0.000 1.013 164 A HN 1.953 nan 8.150 nan 0.000 0.493 165 H N 0.566 119.559 119.070 -0.129 0.000 2.894 165 H HA 0.745 5.301 4.556 0.000 0.000 0.368 165 H C -0.433 174.862 175.328 -0.055 0.000 1.181 165 H CA -0.895 55.102 56.048 -0.085 0.000 1.146 165 H CB 1.025 30.731 29.762 -0.093 0.000 1.839 165 H HN 0.855 nan 8.280 nan 0.000 0.557 166 R N 0.399 120.958 120.500 0.098 0.000 2.797 166 R HA 0.372 4.713 4.340 0.000 0.000 0.251 166 R C -1.062 175.393 176.300 0.258 0.000 1.107 166 R CA -0.570 55.587 56.100 0.097 0.000 1.084 166 R CB 0.855 31.178 30.300 0.037 0.000 1.205 166 R HN 0.492 nan 8.270 nan 0.000 0.515 167 D N -1.130 119.338 120.400 0.112 0.000 2.398 167 D HA 0.181 4.822 4.640 0.000 0.000 0.210 167 D C 0.452 176.582 176.300 -0.283 0.000 1.094 167 D CA 0.810 54.885 54.000 0.126 0.000 0.839 167 D CB 0.933 41.864 40.800 0.218 0.000 0.963 167 D HN 0.870 nan 8.370 nan 0.000 0.506 168 G N 0.699 109.043 108.800 -0.759 0.000 2.160 168 G HA2 -0.198 3.762 3.960 0.000 0.000 0.244 168 G HA3 -0.198 3.762 3.960 0.000 0.000 0.244 168 G C 0.408 175.095 174.900 -0.355 0.000 1.022 168 G CA 0.563 44.991 45.100 -1.120 0.000 0.741 168 G HN 0.488 nan 8.290 nan 0.000 0.508 169 V N -5.222 114.580 119.914 -0.187 0.000 3.165 169 V HA 0.760 4.880 4.120 0.000 0.000 0.307 169 V C 0.909 176.938 176.094 -0.108 0.000 1.281 169 V CA 0.301 62.575 62.300 -0.044 0.000 1.056 169 V CB 1.200 33.056 31.823 0.056 0.000 1.178 169 V HN -0.056 nan 8.190 nan 0.000 0.475 170 D N -0.844 119.503 120.400 -0.088 0.000 2.202 170 D HA 0.227 4.867 4.640 0.000 0.000 0.214 170 D C -0.421 175.362 176.300 -0.863 0.000 0.967 170 D CA 1.689 55.489 54.000 -0.333 0.000 0.871 170 D CB 0.448 41.255 40.800 0.012 0.000 1.020 170 D HN 0.420 nan 8.370 nan 0.000 0.474 171 F N 0.071 119.797 119.950 -0.373 0.000 2.588 171 F HA 0.383 4.910 4.527 0.000 0.000 0.310 171 F C -0.295 175.227 175.800 -0.463 0.000 1.082 171 F CA -0.981 56.583 58.000 -0.727 0.000 0.929 171 F CB 2.139 39.998 39.000 -1.902 0.000 1.254 171 F HN -0.403 nan 8.300 nan 0.000 0.455 172 V N 1.708 121.540 119.914 -0.136 0.000 2.735 172 V HA 0.866 4.986 4.120 0.000 0.000 0.310 172 V C -0.720 175.484 176.094 0.183 0.000 1.061 172 V CA -0.969 61.376 62.300 0.075 0.000 0.913 172 V CB 1.811 33.675 31.823 0.069 0.000 1.005 172 V HN 0.905 nan 8.190 nan 0.000 0.428 173 A N 3.711 126.710 122.820 0.298 0.000 2.318 173 A HA 0.818 5.139 4.320 0.000 0.000 0.317 173 A C -0.873 176.848 177.584 0.227 0.000 1.159 173 A CA -0.522 51.681 52.037 0.277 0.000 0.799 173 A CB 1.426 20.600 19.000 0.290 0.000 1.194 173 A HN 0.684 nan 8.150 nan 0.000 0.479 174 V N 3.754 123.773 119.914 0.176 0.000 2.350 174 V HA 0.315 4.435 4.120 0.000 0.000 0.276 174 V C -0.137 176.070 176.094 0.189 0.000 1.028 174 V CA -0.431 61.985 62.300 0.193 0.000 0.860 174 V CB 1.181 33.096 31.823 0.153 0.000 0.990 174 V HN 0.609 nan 8.190 nan 0.000 0.453 175 V N 5.886 125.918 119.914 0.197 0.000 2.370 175 V HA 0.354 4.474 4.120 0.000 0.000 0.279 175 V C -0.228 175.916 176.094 0.083 0.000 1.029 175 V CA -0.548 61.839 62.300 0.144 0.000 0.870 175 V CB 1.356 33.276 31.823 0.162 0.000 0.984 175 V HN 0.706 nan 8.190 nan 0.000 0.451 176 F N 5.882 125.776 119.950 -0.093 0.000 2.445 176 F HA 0.400 4.927 4.527 0.000 0.000 0.359 176 F C 0.907 176.442 175.800 -0.443 0.000 1.101 176 F CA -0.359 57.535 58.000 -0.178 0.000 1.177 176 F CB 0.640 39.570 39.000 -0.116 0.000 1.110 176 F HN 0.334 nan 8.300 nan 0.000 0.522 177 I N 3.924 123.762 120.570 -1.219 0.000 3.039 177 I HA 0.331 4.501 4.170 0.000 0.000 0.270 177 I C 1.161 176.486 176.117 -1.320 0.000 1.150 177 I CA 0.914 61.389 61.300 -1.375 0.000 1.448 177 I CB -0.741 36.400 38.000 -1.433 0.000 1.197 177 I HN 0.674 nan 8.210 nan 0.000 0.450 178 G N 1.328 109.261 108.800 -1.446 0.000 2.349 178 G HA2 0.529 4.489 3.960 0.000 0.000 0.294 178 G HA3 0.529 4.489 3.960 0.000 0.000 0.294 178 G C -1.276 173.321 174.900 -0.506 0.000 1.380 178 G CA -0.776 43.767 45.100 -0.928 0.000 0.811 178 G HN 0.294 nan 8.290 nan 0.000 0.519 179 R N -0.915 119.548 120.500 -0.062 0.000 2.692 179 R HA 0.765 5.105 4.340 0.000 0.000 0.269 179 R C -1.598 174.664 176.300 -0.064 0.000 1.030 179 R CA -0.987 55.133 56.100 0.034 0.000 0.882 179 R CB 1.457 31.891 30.300 0.225 0.000 1.250 179 R HN 0.567 nan 8.270 nan 0.000 0.465 180 Q N -0.128 119.534 119.800 -0.229 0.000 2.377 180 Q HA 0.426 4.766 4.340 0.000 0.000 0.279 180 Q C -0.259 175.603 176.000 -0.231 0.000 1.049 180 Q CA -0.368 55.293 55.803 -0.237 0.000 0.825 180 Q CB 2.328 30.849 28.738 -0.361 0.000 1.401 180 Q HN 1.054 nan 8.270 nan 0.000 0.404 181 G N 0.149 108.869 108.800 -0.133 0.000 2.168 181 G HA2 -0.240 3.720 3.960 0.000 0.000 0.257 181 G HA3 -0.240 3.720 3.960 0.000 0.000 0.257 181 G C -0.092 174.757 174.900 -0.086 0.000 0.997 181 G CA 0.673 45.710 45.100 -0.104 0.000 0.708 181 G HN 0.873 nan 8.290 nan 0.000 0.520 182 V N -3.219 116.651 119.914 -0.072 0.000 3.007 182 V HA 0.993 5.114 4.120 0.000 0.000 0.311 182 V C -0.050 176.028 176.094 -0.028 0.000 1.120 182 V CA -0.615 61.655 62.300 -0.050 0.000 0.980 182 V CB 1.813 33.605 31.823 -0.052 0.000 1.033 182 V HN 0.941 nan 8.190 nan 0.000 0.429 183 R N 1.904 122.392 120.500 -0.020 0.000 3.084 183 R HA 1.003 5.344 4.340 0.000 0.000 0.234 183 R C 0.578 176.874 176.300 -0.006 0.000 1.433 183 R CA -0.080 56.011 56.100 -0.015 0.000 1.053 183 R CB 0.851 31.142 30.300 -0.015 0.000 1.449 183 R HN 2.302 nan 8.270 nan 0.000 0.505 184 G N -1.016 107.778 108.800 -0.011 0.000 2.562 184 G HA2 0.062 4.022 3.960 0.000 0.000 0.250 184 G HA3 0.062 4.022 3.960 0.000 0.000 0.250 184 G C 0.626 175.517 174.900 -0.014 0.000 1.269 184 G CA 0.306 45.402 45.100 -0.008 0.000 0.919 184 G HN 1.860 nan 8.290 nan 0.000 0.574 185 G N -0.523 108.275 108.800 -0.003 0.000 2.305 185 G HA2 -0.032 3.928 3.960 0.000 0.000 0.287 185 G HA3 -0.032 3.928 3.960 0.000 0.000 0.287 185 G C 0.252 175.115 174.900 -0.063 0.000 1.036 185 G CA 1.822 46.918 45.100 -0.006 0.000 0.887 185 G HN 1.467 nan 8.290 nan 0.000 0.505 186 E N 0.423 120.570 120.200 -0.090 0.000 2.313 186 E HA 0.444 4.794 4.350 0.000 0.000 0.276 186 E C 0.393 176.851 176.600 -0.236 0.000 1.031 186 E CA -0.304 55.998 56.400 -0.163 0.000 0.857 186 E CB 0.491 30.111 29.700 -0.133 0.000 1.040 186 E HN 0.161 nan 8.360 nan 0.000 0.408 187 T N 4.210 118.505 114.554 -0.431 0.000 2.889 187 T HA 0.377 4.727 4.350 0.000 0.000 0.291 187 T C -0.342 173.952 174.700 -0.676 0.000 0.995 187 T CA -0.435 61.330 62.100 -0.558 0.000 1.092 187 T CB 0.719 69.066 68.868 -0.868 0.000 0.954 187 T HN 0.374 nan 8.240 nan 0.000 0.506 188 R N 1.250 121.480 120.500 -0.450 0.000 2.599 188 R HA 0.707 5.047 4.340 0.000 0.000 0.295 188 R C -1.298 174.696 176.300 -0.510 0.000 0.963 188 R CA -0.626 55.156 56.100 -0.531 0.000 0.883 188 R CB 1.810 31.873 30.300 -0.395 0.000 1.171 188 R HN 0.406 nan 8.270 nan 0.000 0.450 189 V N 3.846 123.347 119.914 -0.688 0.000 2.540 189 V HA 0.575 4.695 4.120 0.000 0.000 0.302 189 V C -1.058 174.615 176.094 -0.703 0.000 1.035 189 V CA -0.707 61.252 62.300 -0.567 0.000 0.873 189 V CB 1.328 32.693 31.823 -0.764 0.000 0.992 189 V HN 0.539 nan 8.190 nan 0.000 0.428 190 F N 1.285 121.169 119.950 -0.110 0.000 2.532 190 F HA 0.448 4.975 4.527 0.000 0.000 0.321 190 F C 0.355 176.153 175.800 -0.004 0.000 1.089 190 F CA -0.901 57.070 58.000 -0.048 0.000 0.926 190 F CB 1.335 40.313 39.000 -0.037 0.000 1.168 190 F HN 0.445 nan 8.300 nan 0.000 0.459 191 D N 1.651 122.181 120.400 0.217 0.000 2.531 191 D HA 0.066 4.706 4.640 0.000 0.000 0.239 191 D C 0.839 177.222 176.300 0.139 0.000 1.144 191 D CA 0.404 54.504 54.000 0.165 0.000 0.869 191 D CB 1.421 42.307 40.800 0.143 0.000 1.160 191 D HN 0.672 nan 8.370 nan 0.000 0.484 192 A N 3.546 126.428 122.820 0.103 0.000 2.119 192 A HA 0.202 4.523 4.320 0.000 0.000 0.216 192 A C 1.434 179.047 177.584 0.048 0.000 1.152 192 A CA 1.191 53.268 52.037 0.068 0.000 0.708 192 A CB 0.146 19.178 19.000 0.053 0.000 0.805 192 A HN 0.571 nan 8.150 nan 0.000 0.460 193 A N -0.970 121.882 122.820 0.055 0.000 2.676 193 A HA 0.598 4.918 4.320 0.000 0.000 0.297 193 A C 0.593 178.202 177.584 0.042 0.000 1.132 193 A CA 0.447 52.508 52.037 0.040 0.000 0.972 193 A CB -0.366 18.656 19.000 0.037 0.000 1.197 193 A HN 1.142 nan 8.150 nan 0.000 0.524 194 G N -0.618 108.213 108.800 0.052 0.000 2.550 194 G HA2 0.539 4.499 3.960 0.000 0.000 0.293 194 G HA3 0.539 4.499 3.960 0.000 0.000 0.293 194 G C -2.653 172.284 174.900 0.062 0.000 1.402 194 G CA -0.408 44.724 45.100 0.053 0.000 0.784 194 G HN -0.125 nan 8.290 nan 0.000 0.482 195 P HA 0.148 nan 4.420 nan 0.000 0.257 195 P C 0.290 177.668 177.300 0.129 0.000 1.241 195 P CA 0.164 63.307 63.100 0.072 0.000 0.816 195 P CB 0.522 32.251 31.700 0.049 0.000 1.150 196 Q N 0.374 120.253 119.800 0.130 0.000 2.352 196 Q HA 0.501 4.841 4.340 0.000 0.000 0.260 196 Q C 0.406 176.522 176.000 0.194 0.000 0.976 196 Q CA 0.116 56.000 55.803 0.136 0.000 0.881 196 Q CB 0.837 29.636 28.738 0.103 0.000 1.235 196 Q HN 0.118 nan 8.270 nan 0.000 0.419 197 G N 0.025 108.897 108.800 0.120 0.000 2.690 197 G HA2 0.599 4.559 3.960 0.000 0.000 0.291 197 G HA3 0.599 4.559 3.960 0.000 0.000 0.291 197 G C -1.289 173.505 174.900 -0.177 0.000 1.403 197 G CA -0.585 44.438 45.100 -0.127 0.000 0.864 197 G HN 0.520 nan 8.290 nan 0.000 0.480 198 V N -1.731 117.981 119.914 -0.337 0.000 2.876 198 V HA 0.944 5.064 4.120 0.000 0.000 0.312 198 V C -0.546 175.411 176.094 -0.229 0.000 1.085 198 V CA -1.315 60.896 62.300 -0.148 0.000 0.945 198 V CB 1.790 33.646 31.823 0.055 0.000 1.017 198 V HN 1.179 nan 8.190 nan 0.000 0.428 199 R N 3.024 123.471 120.500 -0.088 0.000 2.599 199 R HA 0.906 5.247 4.340 0.000 0.000 0.295 199 R C -1.506 174.805 176.300 0.018 0.000 0.963 199 R CA -0.519 55.480 56.100 -0.168 0.000 0.883 199 R CB 2.045 32.265 30.300 -0.134 0.000 1.171 199 R HN 1.075 nan 8.270 nan 0.000 0.450 200 F N -2.063 117.823 119.950 -0.108 0.000 2.703 200 F HA 0.471 4.998 4.527 0.000 0.000 0.308 200 F C -1.547 174.191 175.800 -0.102 0.000 1.126 200 F CA -1.060 56.888 58.000 -0.088 0.000 0.959 200 F CB 1.813 40.772 39.000 -0.069 0.000 1.297 200 F HN 0.345 nan 8.300 nan 0.000 0.441 201 T N 3.402 117.980 114.554 0.040 0.000 2.770 201 T HA 0.543 4.893 4.350 0.000 0.000 0.283 201 T C -0.308 174.332 174.700 -0.100 0.000 0.988 201 T CA -0.509 61.537 62.100 -0.089 0.000 0.957 201 T CB 0.963 69.771 68.868 -0.099 0.000 0.930 201 T HN 0.581 nan 8.240 nan 0.000 0.443 202 L N 3.695 124.782 121.223 -0.227 0.000 2.410 202 L HA 0.275 4.615 4.340 0.000 0.000 0.273 202 L C 1.266 177.506 176.870 -1.050 0.000 1.144 202 L CA 0.310 54.847 54.840 -0.505 0.000 0.863 202 L CB 0.466 42.229 42.059 -0.492 0.000 1.140 202 L HN 0.807 nan 8.230 nan 0.000 0.463 203 E N 1.259 120.998 120.200 -0.769 0.000 2.505 203 E HA 0.088 4.438 4.350 0.000 0.000 0.212 203 E C -0.238 176.284 176.600 -0.131 0.000 0.825 203 E CA -0.072 56.024 56.400 -0.506 0.000 1.333 203 E CB 0.765 30.344 29.700 -0.201 0.000 1.319 203 E HN 0.624 nan 8.360 nan 0.000 0.658 204 Q N 2.199 121.967 119.800 -0.054 0.000 2.303 204 Q HA 0.285 4.626 4.340 0.000 0.000 0.257 204 Q C -2.585 173.562 176.000 0.245 0.000 0.941 204 Q CA -2.258 53.612 55.803 0.112 0.000 0.931 204 Q CB 1.441 30.212 28.738 0.054 0.000 1.215 204 Q HN -0.114 nan 8.270 nan 0.000 0.437 205 P HA -0.139 nan 4.420 nan 0.000 0.265 205 P C -0.988 176.186 177.300 -0.210 0.000 1.187 205 P CA 0.450 63.402 63.100 -0.246 0.000 0.766 205 P CB 0.193 31.627 31.700 -0.443 0.000 0.820 206 W N -0.741 120.553 121.300 -0.010 0.000 2.829 206 W HA -0.196 4.464 4.660 0.000 0.000 0.293 206 W C -0.073 176.406 176.519 -0.066 0.000 1.133 206 W CA -0.003 57.273 57.345 -0.114 0.000 0.572 206 W CB -2.829 26.496 29.460 -0.226 0.000 2.175 206 W HN 0.202 nan 8.180 nan 0.000 1.311 207 T N 1.458 116.095 114.554 0.138 0.000 2.851 207 T HA 0.437 4.788 4.350 0.000 0.000 0.298 207 T C 0.374 175.140 174.700 0.109 0.000 0.977 207 T CA -0.200 61.960 62.100 0.100 0.000 1.126 207 T CB 1.647 70.554 68.868 0.066 0.000 0.916 207 T HN -0.078 nan 8.240 nan 0.000 0.529 208 V N 4.554 124.510 119.914 0.069 0.000 2.540 208 V HA 0.437 4.558 4.120 0.000 0.000 0.302 208 V C -0.386 175.758 176.094 0.084 0.000 1.035 208 V CA -1.016 61.331 62.300 0.079 0.000 0.873 208 V CB 1.674 33.520 31.823 0.038 0.000 0.992 208 V HN 0.680 nan 8.190 nan 0.000 0.428 209 L N 6.535 127.837 121.223 0.132 0.000 2.257 209 L HA 0.574 4.914 4.340 0.000 0.000 0.290 209 L C -0.612 176.352 176.870 0.158 0.000 1.044 209 L CA 0.214 55.150 54.840 0.160 0.000 0.810 209 L CB 0.766 42.947 42.059 0.203 0.000 1.193 209 L HN 0.539 nan 8.230 nan 0.000 0.425 210 L N 6.573 127.902 121.223 0.177 0.000 2.289 210 L HA 0.514 4.854 4.340 0.000 0.000 0.285 210 L C -0.716 176.319 176.870 0.275 0.000 1.049 210 L CA -0.481 54.512 54.840 0.255 0.000 0.804 210 L CB 1.208 43.390 42.059 0.204 0.000 1.195 210 L HN 0.559 nan 8.230 nan 0.000 0.428 211 L N 2.616 123.982 121.223 0.238 0.000 2.410 211 L HA 0.391 4.731 4.340 0.000 0.000 0.270 211 L C -0.641 176.316 176.870 0.144 0.000 0.983 211 L CA -0.660 54.276 54.840 0.160 0.000 0.822 211 L CB 2.414 44.463 42.059 -0.017 0.000 1.285 211 L HN 0.464 nan 8.230 nan 0.000 0.409 212 D N 1.583 122.077 120.400 0.155 0.000 2.393 212 D HA 0.023 4.664 4.640 0.000 0.000 0.232 212 D C 0.543 176.759 176.300 -0.140 0.000 1.192 212 D CA 0.025 54.002 54.000 -0.039 0.000 0.882 212 D CB 1.258 42.113 40.800 0.090 0.000 1.038 212 D HN 0.536 nan 8.370 nan 0.000 0.499 213 D N 2.522 122.757 120.400 -0.274 0.000 2.350 213 D HA -0.112 4.528 4.640 0.000 0.000 0.216 213 D C 1.259 177.475 176.300 -0.141 0.000 0.968 213 D CA 1.098 55.001 54.000 -0.162 0.000 0.894 213 D CB 0.398 41.091 40.800 -0.178 0.000 0.909 213 D HN 0.506 nan 8.370 nan 0.000 0.520 214 Q N -1.103 118.588 119.800 -0.183 0.000 2.360 214 Q HA 0.087 4.428 4.340 0.000 0.000 0.202 214 Q C 1.162 177.138 176.000 -0.040 0.000 0.915 214 Q CA 0.349 56.088 55.803 -0.107 0.000 0.943 214 Q CB 0.624 29.287 28.738 -0.126 0.000 1.064 214 Q HN 0.243 nan 8.270 nan 0.000 0.511 215 Q N -0.690 119.100 119.800 -0.017 0.000 2.288 215 Q HA 0.139 4.479 4.340 0.000 0.000 0.256 215 Q C 0.426 176.469 176.000 0.073 0.000 0.835 215 Q CA 0.423 56.249 55.803 0.038 0.000 0.958 215 Q CB 1.748 30.522 28.738 0.059 0.000 1.125 215 Q HN 0.201 nan 8.270 nan 0.000 0.513 216 V N -1.248 118.710 119.914 0.074 0.000 3.040 216 V HA 0.729 4.850 4.120 0.000 0.000 0.312 216 V C -0.270 175.878 176.094 0.090 0.000 1.115 216 V CA -1.273 61.088 62.300 0.100 0.000 0.998 216 V CB 2.348 34.242 31.823 0.119 0.000 1.042 216 V HN 0.135 nan 8.190 nan 0.000 0.433 217 I N 0.636 121.275 120.570 0.114 0.000 2.957 217 I HA 1.001 5.171 4.170 0.000 0.000 0.310 217 I C -0.474 175.724 176.117 0.136 0.000 1.063 217 I CA -0.691 60.661 61.300 0.087 0.000 1.033 217 I CB 2.266 40.290 38.000 0.040 0.000 1.230 217 I HN 1.170 nan 8.210 nan 0.000 0.447 218 H N 0.712 119.688 119.070 -0.157 0.000 2.960 218 H HA 0.848 5.404 4.556 0.000 0.000 0.323 218 H C -1.625 173.599 175.328 -0.173 0.000 1.326 218 H CA -0.684 55.271 56.048 -0.156 0.000 1.124 218 H CB 1.699 31.344 29.762 -0.195 0.000 1.853 218 H HN 0.870 nan 8.280 nan 0.000 0.536 219 E N 0.187 120.339 120.200 -0.080 0.000 2.432 219 E HA 0.520 4.870 4.350 0.000 0.000 0.279 219 E C -1.657 174.950 176.600 0.012 0.000 1.099 219 E CA -0.963 55.428 56.400 -0.017 0.000 0.859 219 E CB 1.624 31.353 29.700 0.048 0.000 1.402 219 E HN 0.909 nan 8.360 nan 0.000 0.451 220 S N -0.327 115.383 115.700 0.017 0.000 2.564 220 S HA 0.599 5.069 4.470 0.000 0.000 0.274 220 S C -0.190 174.402 174.600 -0.012 0.000 1.124 220 S CA -0.277 57.909 58.200 -0.022 0.000 0.869 220 S CB 1.374 64.569 63.200 -0.008 0.000 1.105 220 S HN 0.824 nan 8.310 nan 0.000 0.472 221 T N -0.152 114.385 114.554 -0.028 0.000 2.868 221 T HA 0.581 4.931 4.350 0.000 0.000 0.292 221 T C -2.735 171.972 174.700 0.011 0.000 1.028 221 T CA -1.424 60.670 62.100 -0.011 0.000 1.059 221 T CB -0.263 68.593 68.868 -0.021 0.000 0.991 221 T HN 0.458 nan 8.240 nan 0.000 0.531 222 P HA 0.204 nan 4.420 nan 0.000 0.268 222 P C -0.246 177.108 177.300 0.091 0.000 1.208 222 P CA -0.398 62.740 63.100 0.063 0.000 0.777 222 P CB 0.286 32.007 31.700 0.035 0.000 0.875 223 L N 2.032 123.350 121.223 0.158 0.000 2.436 223 L HA 0.351 4.691 4.340 0.000 0.000 0.265 223 L C 0.235 177.183 176.870 0.129 0.000 1.168 223 L CA -0.240 54.657 54.840 0.096 0.000 0.815 223 L CB -0.107 41.952 42.059 0.000 0.000 1.109 223 L HN 0.197 nan 8.230 nan 0.000 0.462 224 L N 3.091 124.341 121.223 0.046 0.000 2.438 224 L HA 0.446 4.786 4.340 0.000 0.000 0.270 224 L C -2.425 174.441 176.870 -0.006 0.000 0.972 224 L CA -1.889 52.976 54.840 0.040 0.000 0.831 224 L CB 2.093 44.172 42.059 0.033 0.000 1.273 224 L HN 0.306 nan 8.230 nan 0.000 0.405 225 P HA 0.098 nan 4.420 nan 0.000 0.265 225 P C 0.685 177.971 177.300 -0.024 0.000 1.193 225 P CA -0.028 63.050 63.100 -0.037 0.000 0.765 225 P CB 0.760 32.440 31.700 -0.033 0.000 0.823 226 L N 1.168 122.373 121.223 -0.030 0.000 2.093 226 L HA -0.069 4.271 4.340 0.000 0.000 0.208 226 L C 1.071 177.931 176.870 -0.017 0.000 1.085 226 L CA 1.552 56.378 54.840 -0.022 0.000 0.755 226 L CB -0.238 41.806 42.059 -0.026 0.000 0.904 226 L HN 0.379 nan 8.230 nan 0.000 0.435 227 D N -0.847 119.542 120.400 -0.020 0.000 2.517 227 D HA 0.145 4.785 4.640 0.000 0.000 0.301 227 D C -1.664 174.629 176.300 -0.012 0.000 1.202 227 D CA -1.966 52.026 54.000 -0.014 0.000 0.910 227 D CB 0.784 41.576 40.800 -0.014 0.000 1.021 227 D HN -0.059 nan 8.370 nan 0.000 0.499 228 P HA -0.081 nan 4.420 nan 0.000 0.218 228 P C 1.274 178.573 177.300 -0.003 0.000 1.149 228 P CA 0.595 63.692 63.100 -0.006 0.000 0.817 228 P CB 0.201 31.901 31.700 -0.000 0.000 0.785 229 A N -0.440 122.379 122.820 -0.002 0.000 2.131 229 A HA -0.150 4.170 4.320 0.000 0.000 0.220 229 A C 1.143 178.728 177.584 0.001 0.000 1.158 229 A CA 1.405 53.442 52.037 -0.000 0.000 0.665 229 A CB -0.980 18.020 19.000 -0.000 0.000 0.795 229 A HN 0.148 nan 8.150 nan 0.000 0.460 230 D N -2.069 118.330 120.400 -0.001 0.000 2.420 230 D HA 0.386 5.027 4.640 0.000 0.000 0.255 230 D C -2.046 174.254 176.300 0.000 0.000 1.185 230 D CA -2.009 51.991 54.000 0.000 0.000 0.904 230 D CB 1.336 42.136 40.800 -0.001 0.000 1.102 230 D HN -0.114 nan 8.370 nan 0.000 0.534 231 P HA -0.170 nan 4.420 nan 0.000 0.216 231 P C 1.114 178.422 177.300 0.013 0.000 1.157 231 P CA 1.674 64.779 63.100 0.009 0.000 0.880 231 P CB 0.272 31.981 31.700 0.015 0.000 0.791 232 A N -1.019 121.810 122.820 0.014 0.000 2.125 232 A HA -0.055 4.265 4.320 0.000 0.000 0.219 232 A C 1.062 178.656 177.584 0.016 0.000 1.156 232 A CA 0.755 52.803 52.037 0.018 0.000 0.671 232 A CB -1.132 17.877 19.000 0.016 0.000 0.794 232 A HN 0.083 nan 8.150 nan 0.000 0.459 233 V N 2.083 122.001 119.914 0.007 0.000 2.470 233 V HA 0.177 4.297 4.120 0.000 0.000 0.276 233 V C -2.188 173.904 176.094 -0.004 0.000 1.040 233 V CA -1.341 60.958 62.300 -0.002 0.000 1.008 233 V CB 0.703 32.519 31.823 -0.012 0.000 0.990 233 V HN 0.258 nan 8.190 nan 0.000 0.477 234 P HA 0.354 nan 4.420 nan 0.000 0.268 234 P C -0.741 176.503 177.300 -0.094 0.000 1.204 234 P CA 0.030 63.139 63.100 0.016 0.000 0.768 234 P CB 0.673 32.413 31.700 0.067 0.000 0.842 235 A N 3.333 126.107 122.820 -0.076 0.000 2.651 235 A HA 0.559 4.879 4.320 0.000 0.000 0.290 235 A C -0.684 176.847 177.584 -0.089 0.000 1.185 235 A CA -0.443 51.507 52.037 -0.144 0.000 0.746 235 A CB 0.284 19.230 19.000 -0.090 0.000 1.213 235 A HN 0.772 nan 8.150 nan 0.000 0.429 236 H N -0.282 118.778 119.070 -0.016 0.000 2.990 236 H HA 0.729 5.285 4.556 0.000 0.000 0.336 236 H C -1.246 174.097 175.328 0.025 0.000 1.306 236 H CA -0.967 55.084 56.048 0.006 0.000 1.118 236 H CB 1.436 31.221 29.762 0.039 0.000 1.856 236 H HN 0.591 nan 8.280 nan 0.000 0.538 237 R N 1.185 121.841 120.500 0.260 0.000 2.628 237 R HA 0.282 4.622 4.340 0.000 0.000 0.288 237 R C -1.851 174.568 176.300 0.199 0.000 0.980 237 R CA -0.576 55.644 56.100 0.199 0.000 0.891 237 R CB 1.781 32.186 30.300 0.175 0.000 1.188 237 R HN 0.644 nan 8.270 nan 0.000 0.450 238 D N 2.678 123.105 120.400 0.045 0.000 2.375 238 D HA 0.355 4.995 4.640 0.000 0.000 0.247 238 D C -0.606 175.582 176.300 -0.186 0.000 1.061 238 D CA -0.014 53.973 54.000 -0.022 0.000 0.834 238 D CB 2.261 42.865 40.800 -0.327 0.000 1.247 238 D HN 0.687 nan 8.370 nan 0.000 0.489 239 T N -1.361 113.280 114.554 0.145 0.000 2.841 239 T HA 0.678 5.028 4.350 0.000 0.000 0.296 239 T C -1.093 173.894 174.700 0.478 0.000 1.166 239 T CA -0.957 61.252 62.100 0.182 0.000 1.007 239 T CB 1.625 70.667 68.868 0.291 0.000 1.253 239 T HN 0.138 nan 8.240 nan 0.000 0.511 240 L N 1.486 122.953 121.223 0.406 0.000 2.404 240 L HA 0.732 5.072 4.340 0.000 0.000 0.272 240 L C -1.332 175.797 176.870 0.432 0.000 0.980 240 L CA -0.696 54.464 54.840 0.532 0.000 0.836 240 L CB 1.733 44.130 42.059 0.563 0.000 1.238 240 L HN 0.705 nan 8.230 nan 0.000 0.408 241 V N 6.482 126.678 119.914 0.470 0.000 2.394 241 V HA 0.482 4.602 4.120 0.000 0.000 0.282 241 V C -0.074 176.262 176.094 0.404 0.000 1.031 241 V CA -0.433 62.124 62.300 0.428 0.000 0.881 241 V CB 1.407 33.524 31.823 0.489 0.000 0.982 241 V HN 0.600 nan 8.190 nan 0.000 0.451 242 L N 5.178 126.608 121.223 0.346 0.000 2.333 242 L HA 0.682 5.023 4.340 0.000 0.000 0.280 242 L C 0.223 177.292 176.870 0.332 0.000 1.004 242 L CA -0.359 54.663 54.840 0.304 0.000 0.820 242 L CB 2.241 44.465 42.059 0.274 0.000 1.247 242 L HN 0.762 nan 8.230 nan 0.000 0.416 243 T N -1.326 113.382 114.554 0.257 0.000 2.856 243 T HA 0.647 4.997 4.350 0.000 0.000 0.283 243 T C -0.922 173.826 174.700 0.081 0.000 1.008 243 T CA -0.648 61.606 62.100 0.256 0.000 0.997 243 T CB 1.340 70.387 68.868 0.298 0.000 0.992 243 T HN 0.209 nan 8.240 nan 0.000 0.454 244 Y N 0.910 121.201 120.300 -0.016 0.000 2.376 244 Y HA 0.698 5.248 4.550 0.000 0.000 0.340 244 Y C 0.455 176.369 175.900 0.023 0.000 0.965 244 Y CA -1.114 56.908 58.100 -0.129 0.000 1.078 244 Y CB 2.102 40.132 38.460 -0.716 0.000 1.193 244 Y HN 0.743 nan 8.280 nan 0.000 0.452 245 R N 1.484 122.253 120.500 0.448 0.000 2.574 245 R HA 0.567 4.907 4.340 0.000 0.000 0.288 245 R C -0.906 175.797 176.300 0.672 0.000 1.004 245 R CA -0.545 55.844 56.100 0.482 0.000 0.895 245 R CB 1.714 32.187 30.300 0.287 0.000 1.191 245 R HN 0.705 nan 8.270 nan 0.000 0.444 246 S N 1.675 117.704 115.700 0.549 0.000 2.580 246 S HA 0.490 4.960 4.470 0.000 0.000 0.274 246 S C 1.045 175.754 174.600 0.182 0.000 1.329 246 S CA 1.201 59.579 58.200 0.296 0.000 1.036 246 S CB 1.084 64.373 63.200 0.148 0.000 0.919 246 S HN 0.897 nan 8.310 nan 0.000 0.515 247 G N 2.785 111.675 108.800 0.150 0.000 2.812 247 G HA2 -0.034 3.926 3.960 0.000 0.000 0.219 247 G HA3 -0.034 3.926 3.960 0.000 0.000 0.219 247 G C 0.642 175.324 174.900 -0.363 0.000 1.275 247 G CA 0.049 45.140 45.100 -0.014 0.000 0.769 247 G HN 1.804 nan 8.290 nan 0.000 0.527 248 G N -1.434 106.987 108.800 -0.633 0.000 2.342 248 G HA2 0.599 4.559 3.960 0.000 0.000 0.297 248 G HA3 0.599 4.559 3.960 0.000 0.000 0.297 248 G C -0.762 173.709 174.900 -0.714 0.000 1.313 248 G CA -0.290 44.019 45.100 -1.319 0.000 0.830 248 G HN 0.736 nan 8.290 nan 0.000 0.506 249 F N 1.041 120.789 119.950 -0.336 0.000 2.506 249 F HA 0.301 4.829 4.527 0.000 0.000 0.351 249 F C 1.392 177.198 175.800 0.010 0.000 1.136 249 F CA -0.073 57.926 58.000 -0.002 0.000 1.298 249 F CB 0.688 39.716 39.000 0.046 0.000 1.145 249 F HN 0.115 nan 8.300 nan 0.000 0.593 250 Q N 1.688 121.681 119.800 0.322 0.000 2.263 250 Q HA 0.410 4.750 4.340 0.000 0.000 0.289 250 Q C -0.367 175.785 176.000 0.254 0.000 1.061 250 Q CA 0.299 56.299 55.803 0.327 0.000 0.927 250 Q CB 0.701 29.676 28.738 0.396 0.000 1.154 250 Q HN 0.770 nan 8.270 nan 0.000 0.378 251 A N 5.191 128.027 122.820 0.026 0.000 2.594 251 A HA 0.573 4.894 4.320 0.000 0.000 0.296 251 A C -2.664 174.182 177.584 -1.230 0.000 1.056 251 A CA -1.214 50.502 52.037 -0.536 0.000 0.693 251 A CB 1.331 20.154 19.000 -0.296 0.000 1.278 251 A HN 0.485 nan 8.150 nan 0.000 0.408 252 P HA 0.390 nan 4.420 nan 0.000 0.269 252 P C 0.400 177.356 177.300 -0.574 0.000 1.209 252 P CA 0.551 62.859 63.100 -1.319 0.000 0.776 252 P CB 0.808 31.876 31.700 -1.053 0.000 0.876 253 A N 0.000 122.648 122.820 -0.287 0.000 2.254 253 A HA 0.000 4.320 4.320 0.000 0.000 0.244 253 A CA 0.000 51.972 52.037 -0.109 0.000 0.836 253 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 253 A HN 0.000 nan 8.150 nan 0.000 0.486