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 3dlj_1_B DATA FIRST_RESID 8 DATA SEQUENCE LLEKVFQYID LHQDEFVQTL KEWVAIESDS VQPVPRFRQE LFRMMAVAAD DATA SEQUENCE TLQRLGARVA SVDMGPQQLX XXQSLPIPPV ILAELGSDPT KGTVCFYGHL DATA SEQUENCE DVQPADRGDG WLTDPYVLTE VDGKLYGRGA TDNKGPVLAW INAVSAFRAL DATA SEQUENCE EQDLPVNIKF IIEGMEEAGS VALEELVEKE KDRFFSGVDY IVISDNLWIS DATA SEQUENCE XXKPAITYGT RGNSYFMVEV KCRDQDFHSG TFGGILHEPM ADLVALLGSL DATA SEQUENCE VDSSGHILVP GIYDEVVPLT EEEINTYKAI HLDLEEYRNS SRVEKFLFDT DATA SEQUENCE KEEILMHLWR YPSLSIHGIE GAFDEPGTKT VIPGRVIGKF SIRLVPHMNV DATA SEQUENCE SAVEKQVTRH LEDVFSKRNS SNKMVVSMTL GLHPWIANID DTQYLAAKRA DATA SEQUENCE IRTVFXTEPD MIRDGSTIPI AKMFQEIVHK SVVLIPLGAV DDGEHSQNEK DATA SEQUENCE INRWNYIEGT KLFAAFFLEM AQL 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.760 176.870 -0.183 0.000 1.165 8 L CA 0.000 54.770 54.840 -0.117 0.000 0.813 8 L CB 0.000 42.001 42.059 -0.097 0.000 0.961 9 L N 0.224 121.280 121.223 -0.278 0.000 2.202 9 L HA 0.073 4.413 4.340 -0.001 0.000 0.205 9 L C 2.151 178.565 176.870 -0.760 0.000 1.083 9 L CA 1.232 55.753 54.840 -0.531 0.000 0.790 9 L CB 0.034 41.729 42.059 -0.606 0.000 0.942 9 L HN 0.346 nan 8.230 nan 0.000 0.452 10 E N 1.283 121.202 120.200 -0.469 0.000 2.153 10 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 10 E C 2.210 178.761 176.600 -0.081 0.000 0.988 10 E CA 1.996 58.252 56.400 -0.240 0.000 0.811 10 E CB 0.006 29.656 29.700 -0.083 0.000 0.746 10 E HN 0.276 nan 8.360 nan 0.000 0.466 11 K N 0.438 120.785 120.400 -0.088 0.000 2.025 11 K HA 0.033 4.352 4.320 -0.001 0.000 0.207 11 K C 2.461 179.082 176.600 0.035 0.000 1.049 11 K CA 1.669 57.950 56.287 -0.010 0.000 0.933 11 K CB -1.702 30.785 32.500 -0.022 0.000 0.714 11 K HN 0.249 nan 8.250 nan 0.000 0.438 12 V N -0.424 119.470 119.914 -0.033 0.000 2.626 12 V HA -0.021 4.098 4.120 -0.001 0.000 0.252 12 V C 2.506 178.731 176.094 0.218 0.000 1.067 12 V CA 1.865 64.186 62.300 0.035 0.000 1.081 12 V CB -0.756 31.038 31.823 -0.049 0.000 0.686 12 V HN 0.428 nan 8.190 nan 0.000 0.468 13 F N 1.031 120.994 119.950 0.022 0.000 2.234 13 F HA -0.020 4.506 4.527 -0.001 0.000 0.299 13 F C 2.934 178.752 175.800 0.031 0.000 1.087 13 F CA 1.155 59.157 58.000 0.003 0.000 1.340 13 F CB -1.150 37.826 39.000 -0.039 0.000 1.031 13 F HN 0.476 nan 8.300 nan 0.000 0.500 14 Q N -0.458 119.488 119.800 0.242 0.000 2.123 14 Q HA -0.195 4.144 4.340 -0.001 0.000 0.199 14 Q C 2.117 178.205 176.000 0.147 0.000 0.966 14 Q CA 1.500 57.391 55.803 0.146 0.000 0.845 14 Q CB -1.792 27.010 28.738 0.107 0.000 0.907 14 Q HN 0.586 nan 8.270 nan 0.000 0.439 15 Y N 0.530 120.890 120.300 0.099 0.000 2.165 15 Y HA -0.185 4.364 4.550 -0.001 0.000 0.286 15 Y C 2.091 178.077 175.900 0.143 0.000 1.155 15 Y CA 2.014 60.208 58.100 0.158 0.000 1.164 15 Y CB -0.094 38.454 38.460 0.146 0.000 0.978 15 Y HN 0.319 nan 8.280 nan 0.000 0.513 16 I N 0.747 121.514 120.570 0.329 0.000 2.127 16 I HA -0.322 3.847 4.170 -0.001 0.000 0.241 16 I C 2.680 178.759 176.117 -0.064 0.000 1.075 16 I CA 1.924 63.353 61.300 0.214 0.000 1.334 16 I CB -1.340 36.813 38.000 0.254 0.000 1.040 16 I HN 0.478 nan 8.210 nan 0.000 0.405 17 D N 0.973 121.345 120.400 -0.046 0.000 2.116 17 D HA -0.174 4.465 4.640 -0.001 0.000 0.193 17 D C 2.333 178.520 176.300 -0.187 0.000 0.998 17 D CA 2.695 56.634 54.000 -0.101 0.000 0.836 17 D CB -1.065 39.701 40.800 -0.057 0.000 0.951 17 D HN 0.305 nan 8.370 nan 0.000 0.449 18 L N -0.745 120.336 121.223 -0.238 0.000 2.093 18 L HA 0.144 4.483 4.340 -0.001 0.000 0.208 18 L C 2.325 178.801 176.870 -0.657 0.000 1.085 18 L CA 2.625 57.223 54.840 -0.403 0.000 0.755 18 L CB -1.550 40.255 42.059 -0.424 0.000 0.904 18 L HN 0.706 nan 8.230 nan 0.000 0.435 19 H N -0.669 118.010 119.070 -0.653 0.000 2.537 19 H HA 0.197 4.752 4.556 -0.001 0.000 0.295 19 H C 1.982 176.682 175.328 -1.048 0.000 1.054 19 H CA 0.474 55.995 56.048 -0.877 0.000 1.156 19 H CB 0.172 29.222 29.762 -1.186 0.000 1.468 19 H HN 0.863 nan 8.280 nan 0.000 0.551 20 Q N -0.007 119.455 119.800 -0.563 0.000 2.119 20 Q HA -0.145 4.194 4.340 -0.001 0.000 0.201 20 Q C 0.658 176.586 176.000 -0.120 0.000 0.972 20 Q CA 1.574 57.179 55.803 -0.329 0.000 0.847 20 Q CB 0.128 28.785 28.738 -0.136 0.000 0.903 20 Q HN 0.246 nan 8.270 nan 0.000 0.433 21 D N 1.628 121.953 120.400 -0.124 0.000 2.219 21 D HA -0.168 4.471 4.640 -0.001 0.000 0.205 21 D C 1.776 178.086 176.300 0.016 0.000 0.970 21 D CA 1.607 55.590 54.000 -0.028 0.000 0.851 21 D CB -0.034 40.737 40.800 -0.047 0.000 0.943 21 D HN 0.760 nan 8.370 nan 0.000 0.488 22 E N -0.382 119.801 120.200 -0.029 0.000 2.230 22 E HA -0.114 4.235 4.350 -0.001 0.000 0.192 22 E C 1.495 178.242 176.600 0.246 0.000 0.987 22 E CA 0.418 56.861 56.400 0.071 0.000 0.841 22 E CB -0.373 29.361 29.700 0.057 0.000 0.783 22 E HN 0.080 nan 8.360 nan 0.000 0.481 23 F N 1.533 121.527 119.950 0.074 0.000 2.186 23 F HA -0.070 4.456 4.527 -0.001 0.000 0.299 23 F C 2.333 178.288 175.800 0.258 0.000 1.090 23 F CA 0.313 58.373 58.000 0.101 0.000 1.307 23 F CB -0.815 38.174 39.000 -0.019 0.000 1.019 23 F HN -0.054 nan 8.300 nan 0.000 0.489 24 V N -0.232 119.942 119.914 0.433 0.000 2.515 24 V HA -0.254 3.865 4.120 -0.001 0.000 0.250 24 V C 2.404 178.576 176.094 0.130 0.000 1.058 24 V CA 1.713 64.171 62.300 0.264 0.000 1.064 24 V CB -0.624 31.309 31.823 0.184 0.000 0.675 24 V HN 0.245 nan 8.190 nan 0.000 0.461 25 Q N 0.519 120.398 119.800 0.131 0.000 2.079 25 Q HA -0.160 4.180 4.340 -0.001 0.000 0.200 25 Q C 2.160 178.212 176.000 0.087 0.000 0.974 25 Q CA 2.527 58.387 55.803 0.095 0.000 0.840 25 Q CB -0.788 28.002 28.738 0.087 0.000 0.898 25 Q HN 0.593 nan 8.270 nan 0.000 0.430 26 T N 1.304 115.906 114.554 0.080 0.000 2.720 26 T HA -0.153 4.196 4.350 -0.001 0.000 0.268 26 T C 1.599 176.222 174.700 -0.129 0.000 1.037 26 T CA 1.293 63.376 62.100 -0.028 0.000 1.144 26 T CB -0.431 68.362 68.868 -0.124 0.000 0.864 26 T HN 0.273 nan 8.240 nan 0.000 0.444 27 L N 1.542 122.715 121.223 -0.084 0.000 2.046 27 L HA 0.005 4.345 4.340 -0.001 0.000 0.208 27 L C 2.341 179.226 176.870 0.026 0.000 1.077 27 L CA 1.848 56.629 54.840 -0.099 0.000 0.747 27 L CB -0.588 41.313 42.059 -0.264 0.000 0.896 27 L HN 0.102 nan 8.230 nan 0.000 0.432 28 K N -0.518 119.907 120.400 0.042 0.000 2.103 28 K HA -0.226 4.093 4.320 -0.001 0.000 0.207 28 K C 1.901 178.583 176.600 0.136 0.000 1.048 28 K CA 1.977 58.311 56.287 0.079 0.000 0.930 28 K CB -0.081 32.462 32.500 0.071 0.000 0.716 28 K HN 0.535 nan 8.250 nan 0.000 0.444 29 E N -0.822 119.483 120.200 0.176 0.000 2.072 29 E HA -0.154 4.195 4.350 -0.001 0.000 0.190 29 E C 1.755 178.569 176.600 0.357 0.000 0.982 29 E CA 0.992 57.537 56.400 0.242 0.000 0.803 29 E CB -0.088 29.769 29.700 0.262 0.000 0.755 29 E HN 0.395 nan 8.360 nan 0.000 0.453 30 W N 0.486 121.816 121.300 0.049 0.000 2.388 30 W HA -0.089 4.570 4.660 -0.001 0.000 0.294 30 W C 2.135 178.688 176.519 0.057 0.000 1.212 30 W CA 0.278 57.650 57.345 0.045 0.000 1.271 30 W CB -0.918 28.567 29.460 0.042 0.000 1.126 30 W HN -0.086 nan 8.180 nan 0.000 0.535 31 V N 0.685 120.771 119.914 0.288 0.000 2.490 31 V HA -0.252 3.867 4.120 -0.001 0.000 0.250 31 V C 2.377 178.620 176.094 0.248 0.000 1.061 31 V CA 1.888 64.320 62.300 0.220 0.000 1.064 31 V CB -1.430 30.478 31.823 0.142 0.000 0.670 31 V HN 0.164 nan 8.190 nan 0.000 0.461 32 A N -0.220 122.715 122.820 0.192 0.000 2.067 32 A HA 0.009 4.328 4.320 -0.001 0.000 0.219 32 A C 1.194 178.818 177.584 0.066 0.000 1.158 32 A CA 0.654 52.779 52.037 0.146 0.000 0.661 32 A CB -0.528 18.537 19.000 0.108 0.000 0.801 32 A HN 0.541 nan 8.150 nan 0.000 0.452 33 I N 1.345 121.947 120.570 0.054 0.000 2.436 33 I HA 0.036 4.205 4.170 -0.001 0.000 0.289 33 I C -0.269 175.812 176.117 -0.059 0.000 1.083 33 I CA 0.063 61.346 61.300 -0.027 0.000 1.372 33 I CB 0.579 38.544 38.000 -0.058 0.000 1.408 33 I HN 0.276 nan 8.210 nan 0.000 0.516 34 E N 5.142 125.221 120.200 -0.202 0.000 2.028 34 E HA 0.070 4.419 4.350 -0.001 0.000 0.275 34 E C 0.059 176.618 176.600 -0.069 0.000 1.171 34 E CA -0.217 55.930 56.400 -0.421 0.000 1.186 34 E CB 0.131 29.397 29.700 -0.723 0.000 1.256 34 E HN 0.609 nan 8.360 nan 0.000 0.474 35 S N 1.145 116.841 115.700 -0.006 0.000 3.697 35 S HA 0.014 4.483 4.470 -0.001 0.000 0.207 35 S C 0.058 174.664 174.600 0.010 0.000 1.459 35 S CA -0.768 57.444 58.200 0.019 0.000 1.122 35 S CB -0.120 63.077 63.200 -0.005 0.000 1.311 35 S HN 0.251 nan 8.310 nan 0.000 0.487 36 D N 2.271 122.645 120.400 -0.044 0.000 2.339 36 D HA 0.130 4.769 4.640 -0.001 0.000 0.256 36 D C 1.078 177.323 176.300 -0.091 0.000 1.214 36 D CA -0.086 53.808 54.000 -0.177 0.000 0.877 36 D CB 1.169 41.587 40.800 -0.637 0.000 1.111 36 D HN 0.424 nan 8.370 nan 0.000 0.478 37 S N 2.029 117.682 115.700 -0.078 0.000 2.524 37 S HA -0.015 4.454 4.470 -0.001 0.000 0.216 37 S C 1.750 176.298 174.600 -0.087 0.000 0.987 37 S CA -0.061 58.104 58.200 -0.058 0.000 0.909 37 S CB 0.261 63.423 63.200 -0.063 0.000 0.781 37 S HN 0.308 nan 8.310 nan 0.000 0.521 38 V N 1.529 121.364 119.914 -0.132 0.000 2.488 38 V HA 0.029 4.148 4.120 -0.001 0.000 0.246 38 V C 1.050 177.071 176.094 -0.122 0.000 1.046 38 V CA 1.076 63.282 62.300 -0.155 0.000 1.053 38 V CB -0.554 31.154 31.823 -0.193 0.000 0.679 38 V HN 0.562 nan 8.190 nan 0.000 0.458 39 Q N 2.218 121.952 119.800 -0.111 0.000 2.314 39 Q HA 0.213 4.552 4.340 -0.001 0.000 0.257 39 Q C -2.230 173.799 176.000 0.048 0.000 0.975 39 Q CA -1.803 53.983 55.803 -0.028 0.000 0.933 39 Q CB 1.032 29.757 28.738 -0.022 0.000 1.195 39 Q HN 0.293 nan 8.270 nan 0.000 0.426 40 P HA 0.023 nan 4.420 nan 0.000 0.225 40 P C -0.815 176.520 177.300 0.057 0.000 1.813 40 P CA 0.128 63.249 63.100 0.034 0.000 1.013 40 P CB -0.170 31.531 31.700 0.002 0.000 1.961 41 V N -0.907 119.068 119.914 0.101 0.000 2.841 41 V HA 0.520 4.639 4.120 -0.001 0.000 0.310 41 V C -2.167 173.952 176.094 0.041 0.000 1.090 41 V CA -2.586 59.758 62.300 0.073 0.000 0.930 41 V CB 2.156 34.038 31.823 0.099 0.000 1.014 41 V HN -0.197 nan 8.190 nan 0.000 0.425 42 P HA -0.173 nan 4.420 nan 0.000 0.216 42 P C 1.734 178.979 177.300 -0.093 0.000 1.153 42 P CA 2.270 65.341 63.100 -0.048 0.000 0.858 42 P CB -0.017 31.642 31.700 -0.068 0.000 0.789 43 R N -1.372 119.012 120.500 -0.194 0.000 2.096 43 R HA -0.107 4.232 4.340 -0.001 0.000 0.235 43 R C 1.715 177.818 176.300 -0.329 0.000 1.127 43 R CA 1.594 57.502 56.100 -0.320 0.000 0.968 43 R CB -1.419 28.600 30.300 -0.469 0.000 0.861 43 R HN 0.146 nan 8.270 nan 0.000 0.440 44 F N 1.084 121.003 119.950 -0.052 0.000 2.270 44 F HA 0.161 4.687 4.527 -0.002 0.000 0.295 44 F C 2.646 178.434 175.800 -0.021 0.000 1.087 44 F CA 0.600 58.565 58.000 -0.058 0.000 1.365 44 F CB -0.465 38.503 39.000 -0.053 0.000 1.056 44 F HN -0.051 nan 8.300 nan 0.000 0.506 45 R N 0.832 121.441 120.500 0.182 0.000 2.120 45 R HA -0.155 4.184 4.340 -0.001 0.000 0.234 45 R C 2.107 178.543 176.300 0.227 0.000 1.123 45 R CA 1.465 57.671 56.100 0.176 0.000 0.975 45 R CB -0.702 29.687 30.300 0.149 0.000 0.866 45 R HN 0.387 nan 8.270 nan 0.000 0.446 46 Q N -0.199 119.662 119.800 0.102 0.000 2.119 46 Q HA -0.125 4.214 4.340 -0.001 0.000 0.201 46 Q C 1.405 177.460 176.000 0.091 0.000 0.972 46 Q CA 1.386 57.230 55.803 0.069 0.000 0.847 46 Q CB 0.089 28.796 28.738 -0.052 0.000 0.903 46 Q HN 0.309 nan 8.270 nan 0.000 0.433 47 E N 0.333 120.560 120.200 0.045 0.000 2.153 47 E HA -0.176 4.173 4.350 -0.001 0.000 0.194 47 E C 1.947 178.561 176.600 0.023 0.000 0.988 47 E CA 0.562 56.971 56.400 0.014 0.000 0.811 47 E CB -0.082 29.619 29.700 0.002 0.000 0.746 47 E HN 0.277 nan 8.360 nan 0.000 0.466 48 L N -0.019 121.242 121.223 0.064 0.000 2.093 48 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 48 L C 2.020 178.862 176.870 -0.047 0.000 1.085 48 L CA 1.359 56.201 54.840 0.003 0.000 0.755 48 L CB -0.699 41.370 42.059 0.016 0.000 0.904 48 L HN -0.024 nan 8.230 nan 0.000 0.435 49 F N -0.246 119.667 119.950 -0.062 0.000 2.134 49 F HA -0.186 4.340 4.527 -0.002 0.000 0.299 49 F C 2.784 178.530 175.800 -0.091 0.000 1.097 49 F CA 1.715 59.673 58.000 -0.071 0.000 1.264 49 F CB -0.526 38.439 39.000 -0.059 0.000 1.001 49 F HN 0.047 nan 8.300 nan 0.000 0.479 50 R N -0.164 120.387 120.500 0.086 0.000 2.083 50 R HA -0.263 4.076 4.340 -0.001 0.000 0.237 50 R C 2.230 178.464 176.300 -0.110 0.000 1.137 50 R CA 1.993 58.084 56.100 -0.016 0.000 0.951 50 R CB -0.428 29.855 30.300 -0.028 0.000 0.851 50 R HN 0.210 nan 8.270 nan 0.000 0.434 51 M N -0.011 119.502 119.600 -0.145 0.000 2.108 51 M HA -0.158 4.321 4.480 -0.001 0.000 0.261 51 M C 1.801 177.906 176.300 -0.326 0.000 1.066 51 M CA 1.689 56.828 55.300 -0.268 0.000 1.107 51 M CB -0.020 32.450 32.600 -0.218 0.000 1.356 51 M HN 0.136 nan 8.290 nan 0.000 0.406 52 M N -0.639 118.817 119.600 -0.240 0.000 2.319 52 M HA 0.062 4.541 4.480 -0.001 0.000 0.265 52 M C 2.255 178.439 176.300 -0.194 0.000 1.068 52 M CA 1.488 56.648 55.300 -0.234 0.000 1.118 52 M CB -1.930 30.524 32.600 -0.242 0.000 1.395 52 M HN 0.439 nan 8.290 nan 0.000 0.435 53 A N -0.049 122.681 122.820 -0.149 0.000 1.898 53 A HA -0.007 4.312 4.320 -0.001 0.000 0.214 53 A C 2.443 179.955 177.584 -0.120 0.000 1.183 53 A CA 1.107 53.084 52.037 -0.099 0.000 0.622 53 A CB -0.834 18.140 19.000 -0.042 0.000 0.824 53 A HN 0.240 nan 8.150 nan 0.000 0.444 54 V N 0.122 119.928 119.914 -0.181 0.000 2.324 54 V HA -0.308 3.811 4.120 -0.001 0.000 0.250 54 V C 3.036 179.005 176.094 -0.209 0.000 1.060 54 V CA 2.151 64.327 62.300 -0.207 0.000 1.042 54 V CB -1.168 30.443 31.823 -0.353 0.000 0.650 54 V HN 0.609 nan 8.190 nan 0.000 0.450 55 A N -0.372 122.236 122.820 -0.352 0.000 1.897 55 A HA -0.007 4.313 4.320 -0.001 0.000 0.215 55 A C 2.425 179.966 177.584 -0.073 0.000 1.181 55 A CA 1.786 53.688 52.037 -0.224 0.000 0.620 55 A CB -0.726 18.085 19.000 -0.315 0.000 0.821 55 A HN 0.563 nan 8.150 nan 0.000 0.443 56 A N 0.178 122.936 122.820 -0.104 0.000 1.883 56 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 56 A C 1.832 179.387 177.584 -0.048 0.000 1.186 56 A CA 2.249 54.240 52.037 -0.077 0.000 0.624 56 A CB -0.793 18.162 19.000 -0.075 0.000 0.822 56 A HN 0.596 nan 8.150 nan 0.000 0.444 57 D N -1.527 118.854 120.400 -0.031 0.000 2.144 57 D HA -0.099 4.540 4.640 -0.001 0.000 0.200 57 D C 1.893 178.207 176.300 0.022 0.000 0.978 57 D CA 1.799 55.796 54.000 -0.004 0.000 0.833 57 D CB -0.041 40.761 40.800 0.003 0.000 0.961 57 D HN 0.358 nan 8.370 nan 0.000 0.470 58 T N 0.074 114.666 114.554 0.063 0.000 2.708 58 T HA -0.101 4.249 4.350 -0.001 0.000 0.266 58 T C 1.990 176.700 174.700 0.015 0.000 1.037 58 T CA 0.891 63.053 62.100 0.103 0.000 1.146 58 T CB -0.293 68.740 68.868 0.275 0.000 0.865 58 T HN 0.161 nan 8.240 nan 0.000 0.435 59 L N 0.683 121.877 121.223 -0.049 0.000 2.083 59 L HA -0.152 4.187 4.340 -0.001 0.000 0.209 59 L C 2.897 179.709 176.870 -0.096 0.000 1.083 59 L CA 1.383 56.124 54.840 -0.164 0.000 0.752 59 L CB -0.607 41.268 42.059 -0.306 0.000 0.899 59 L HN 0.312 nan 8.230 nan 0.000 0.433 60 Q N -0.229 119.540 119.800 -0.052 0.000 2.084 60 Q HA -0.189 4.150 4.340 -0.001 0.000 0.202 60 Q C 2.325 178.317 176.000 -0.013 0.000 0.978 60 Q CA 1.386 57.173 55.803 -0.026 0.000 0.844 60 Q CB -0.046 28.683 28.738 -0.016 0.000 0.898 60 Q HN 0.437 nan 8.270 nan 0.000 0.426 61 R N 0.065 120.562 120.500 -0.005 0.000 2.235 61 R HA -0.016 4.323 4.340 -0.001 0.000 0.213 61 R C 1.866 178.165 176.300 -0.001 0.000 1.059 61 R CA 0.571 56.674 56.100 0.005 0.000 0.997 61 R CB -0.020 30.294 30.300 0.022 0.000 0.884 61 R HN 0.266 nan 8.270 nan 0.000 0.462 62 L N -0.511 120.703 121.223 -0.014 0.000 2.554 62 L HA 0.085 4.425 4.340 -0.001 0.000 0.226 62 L C 1.151 178.015 176.870 -0.009 0.000 1.137 62 L CA 0.660 55.490 54.840 -0.016 0.000 0.863 62 L CB 0.087 42.128 42.059 -0.029 0.000 0.985 62 L HN 0.488 nan 8.230 nan 0.000 0.451 63 G N -0.301 108.495 108.800 -0.007 0.000 2.176 63 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.232 63 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.232 63 G C 0.379 175.287 174.900 0.014 0.000 0.986 63 G CA -0.043 45.058 45.100 0.002 0.000 0.643 63 G HN 0.462 nan 8.290 nan 0.000 0.522 64 A N -0.002 122.825 122.820 0.012 0.000 2.407 64 A HA 0.705 5.024 4.320 -0.001 0.000 0.248 64 A C 0.716 178.319 177.584 0.033 0.000 1.082 64 A CA 0.398 52.460 52.037 0.042 0.000 0.785 64 A CB 0.287 19.294 19.000 0.012 0.000 1.020 64 A HN 0.730 nan 8.150 nan 0.000 0.489 65 R N 1.671 122.208 120.500 0.061 0.000 2.296 65 R HA 0.429 4.769 4.340 -0.001 0.000 0.323 65 R C -1.364 174.973 176.300 0.061 0.000 1.067 65 R CA 0.029 56.161 56.100 0.054 0.000 0.946 65 R CB 0.193 30.530 30.300 0.062 0.000 0.991 65 R HN 0.444 nan 8.270 nan 0.000 0.448 66 V N 4.148 124.077 119.914 0.025 0.000 2.444 66 V HA 0.583 4.703 4.120 -0.001 0.000 0.294 66 V C -0.359 175.729 176.094 -0.010 0.000 1.022 66 V CA -0.819 61.483 62.300 0.003 0.000 0.850 66 V CB 1.528 33.334 31.823 -0.029 0.000 0.992 66 V HN 0.918 nan 8.190 nan 0.000 0.426 67 A N 3.334 126.138 122.820 -0.025 0.000 2.330 67 A HA 0.801 5.120 4.320 -0.001 0.000 0.327 67 A C 0.025 177.565 177.584 -0.073 0.000 1.155 67 A CA -0.486 51.524 52.037 -0.046 0.000 0.803 67 A CB 1.315 20.283 19.000 -0.052 0.000 1.208 67 A HN 0.694 nan 8.150 nan 0.000 0.477 68 S N 1.681 117.344 115.700 -0.061 0.000 2.505 68 S HA 0.341 4.810 4.470 -0.001 0.000 0.280 68 S C -0.166 174.395 174.600 -0.065 0.000 1.197 68 S CA -0.446 57.711 58.200 -0.072 0.000 1.138 68 S CB 0.513 63.678 63.200 -0.057 0.000 1.010 68 S HN 0.569 nan 8.310 nan 0.000 0.480 69 V N 3.353 123.216 119.914 -0.085 0.000 2.529 69 V HA 0.069 4.188 4.120 -0.001 0.000 0.292 69 V C 0.354 176.414 176.094 -0.056 0.000 1.028 69 V CA -0.427 61.831 62.300 -0.071 0.000 1.074 69 V CB 0.142 31.910 31.823 -0.091 0.000 0.958 69 V HN 0.602 nan 8.190 nan 0.000 0.481 70 D N 5.476 125.859 120.400 -0.027 0.000 2.371 70 D HA 0.188 4.827 4.640 -0.001 0.000 0.256 70 D C 0.669 176.963 176.300 -0.010 0.000 1.193 70 D CA -0.132 53.865 54.000 -0.004 0.000 0.881 70 D CB 1.467 42.277 40.800 0.017 0.000 1.143 70 D HN 0.341 nan 8.370 nan 0.000 0.473 71 M N 1.014 120.607 119.600 -0.011 0.000 2.465 71 M HA 0.189 4.668 4.480 -0.001 0.000 0.249 71 M C 1.166 177.468 176.300 0.003 0.000 1.130 71 M CA 0.096 55.386 55.300 -0.017 0.000 1.067 71 M CB -0.623 31.951 32.600 -0.044 0.000 1.394 71 M HN 0.551 nan 8.290 nan 0.000 0.483 72 G N 2.002 110.818 108.800 0.026 0.000 2.693 72 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.226 72 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.226 72 G C -2.880 172.041 174.900 0.036 0.000 1.354 72 G CA -0.930 44.187 45.100 0.029 0.000 0.873 72 G HN 0.213 nan 8.290 nan 0.000 0.562 73 P HA 0.345 nan 4.420 nan 0.000 0.281 73 P C -0.827 176.480 177.300 0.011 0.000 1.249 73 P CA -0.294 62.819 63.100 0.023 0.000 0.810 73 P CB 1.314 33.021 31.700 0.012 0.000 1.008 74 Q N 0.679 120.486 119.800 0.011 0.000 2.290 74 Q HA 0.456 4.795 4.340 -0.001 0.000 0.259 74 Q C -0.416 175.580 176.000 -0.007 0.000 0.941 74 Q CA -0.463 55.338 55.803 -0.004 0.000 0.912 74 Q CB 0.749 29.484 28.738 -0.005 0.000 1.244 74 Q HN 0.525 nan 8.270 nan 0.000 0.441 75 Q N 4.214 124.005 119.800 -0.014 0.000 2.279 75 Q HA 0.433 4.772 4.340 -0.001 0.000 0.256 75 Q C -0.961 175.027 176.000 -0.021 0.000 0.937 75 Q CA -0.077 55.717 55.803 -0.015 0.000 0.933 75 Q CB 0.613 29.342 28.738 -0.015 0.000 1.189 75 Q HN 0.735 nan 8.270 nan 0.000 0.417 81 S N 0.016 115.712 115.700 -0.006 0.000 2.549 81 S HA 0.864 5.333 4.470 -0.001 0.000 0.280 81 S C -1.312 173.289 174.600 0.001 0.000 1.109 81 S CA -0.704 57.493 58.200 -0.003 0.000 0.905 81 S CB 1.272 64.471 63.200 -0.003 0.000 1.081 81 S HN 0.490 nan 8.310 nan 0.000 0.477 82 L N 1.413 122.642 121.223 0.010 0.000 2.341 82 L HA 0.634 4.973 4.340 -0.001 0.000 0.267 82 L C -2.663 174.238 176.870 0.050 0.000 1.009 82 L CA -2.774 52.081 54.840 0.025 0.000 0.819 82 L CB 2.659 44.740 42.059 0.036 0.000 1.323 82 L HN 0.468 nan 8.230 nan 0.000 0.425 83 P HA 0.192 nan 4.420 nan 0.000 0.271 83 P C -0.772 176.666 177.300 0.230 0.000 1.216 83 P CA 0.002 63.201 63.100 0.164 0.000 0.771 83 P CB 0.439 32.244 31.700 0.176 0.000 0.864 84 I N 5.420 126.072 120.570 0.137 0.000 2.441 84 I HA 0.202 4.371 4.170 -0.001 0.000 0.287 84 I C -1.695 174.342 176.117 -0.133 0.000 1.049 84 I CA -2.305 59.005 61.300 0.017 0.000 1.381 84 I CB 0.666 38.655 38.000 -0.018 0.000 1.409 84 I HN 0.203 nan 8.210 nan 0.000 0.523 85 P HA 0.139 nan 4.420 nan 0.000 0.269 85 P C -2.557 174.422 177.300 -0.535 0.000 1.215 85 P CA -1.248 61.261 63.100 -0.985 0.000 0.780 85 P CB -0.370 30.905 31.700 -0.708 0.000 0.898 86 P HA 0.073 nan 4.420 nan 0.000 0.272 86 P C -0.481 176.697 177.300 -0.204 0.000 1.230 86 P CA 0.019 62.967 63.100 -0.253 0.000 0.788 86 P CB 0.464 32.052 31.700 -0.187 0.000 0.949 87 V N 3.288 123.115 119.914 -0.144 0.000 2.472 87 V HA 0.252 4.371 4.120 -0.001 0.000 0.290 87 V C 0.716 176.730 176.094 -0.133 0.000 1.037 87 V CA -0.589 61.637 62.300 -0.123 0.000 0.908 87 V CB 1.003 32.772 31.823 -0.090 0.000 0.985 87 V HN 0.352 nan 8.190 nan 0.000 0.454 88 I N 5.734 126.230 120.570 -0.124 0.000 2.325 88 I HA 0.301 4.470 4.170 -0.001 0.000 0.291 88 I C -0.291 175.736 176.117 -0.150 0.000 1.019 88 I CA 0.147 61.377 61.300 -0.117 0.000 1.302 88 I CB 0.734 38.682 38.000 -0.087 0.000 1.401 88 I HN 0.336 nan 8.210 nan 0.000 0.485 89 L N 7.152 128.241 121.223 -0.222 0.000 2.280 89 L HA 0.778 5.117 4.340 -0.001 0.000 0.287 89 L C 0.005 176.844 176.870 -0.052 0.000 1.023 89 L CA -0.369 54.234 54.840 -0.396 0.000 0.819 89 L CB 1.227 42.797 42.059 -0.815 0.000 1.212 89 L HN 0.683 nan 8.230 nan 0.000 0.420 90 A N 3.761 126.711 122.820 0.217 0.000 2.423 90 A HA 0.888 5.207 4.320 -0.001 0.000 0.304 90 A C -1.092 176.807 177.584 0.526 0.000 1.104 90 A CA -0.534 51.692 52.037 0.315 0.000 0.757 90 A CB 1.860 20.961 19.000 0.170 0.000 1.313 90 A HN 0.770 nan 8.150 nan 0.000 0.423 91 E N 0.172 120.595 120.200 0.373 0.000 2.291 91 E HA 0.529 4.878 4.350 -0.001 0.000 0.276 91 E C -1.929 174.807 176.600 0.227 0.000 0.896 91 E CA -0.706 55.867 56.400 0.288 0.000 0.774 91 E CB 1.690 31.463 29.700 0.123 0.000 1.227 91 E HN 0.428 nan 8.360 nan 0.000 0.413 92 L N 2.831 124.195 121.223 0.235 0.000 2.313 92 L HA 0.732 5.071 4.340 -0.001 0.000 0.273 92 L C -0.108 176.775 176.870 0.021 0.000 1.028 92 L CA 0.900 55.823 54.840 0.139 0.000 0.871 92 L CB 0.875 43.059 42.059 0.209 0.000 1.242 92 L HN 0.893 nan 8.230 nan 0.000 0.434 93 G N 2.732 111.533 108.800 0.002 0.000 2.770 93 G HA2 0.092 4.051 3.960 -0.001 0.000 0.686 93 G HA3 0.092 4.051 3.960 -0.001 0.000 0.686 93 G C -0.315 174.563 174.900 -0.036 0.000 1.180 93 G CA -0.227 44.855 45.100 -0.031 0.000 0.767 93 G HN 0.917 nan 8.290 nan 0.000 0.646 94 S N 0.319 115.997 115.700 -0.036 0.000 3.041 94 S HA 0.248 4.717 4.470 -0.001 0.000 0.250 94 S C -0.275 174.303 174.600 -0.036 0.000 0.898 94 S CA 0.530 58.708 58.200 -0.038 0.000 1.100 94 S CB 0.168 63.353 63.200 -0.025 0.000 1.149 94 S HN 0.889 nan 8.310 nan 0.000 0.540 95 D N 3.339 123.715 120.400 -0.040 0.000 2.338 95 D HA 0.252 4.891 4.640 -0.001 0.000 0.255 95 D C -1.221 175.058 176.300 -0.036 0.000 1.237 95 D CA -1.772 52.207 54.000 -0.036 0.000 0.883 95 D CB 1.778 42.555 40.800 -0.039 0.000 1.087 95 D HN 0.198 nan 8.370 nan 0.000 0.485 96 P HA -0.128 nan 4.420 nan 0.000 0.225 96 P C 1.149 178.435 177.300 -0.024 0.000 1.148 96 P CA 0.944 64.028 63.100 -0.026 0.000 0.779 96 P CB -0.050 31.638 31.700 -0.020 0.000 0.780 97 T N -3.814 110.725 114.554 -0.024 0.000 3.023 97 T HA 0.027 4.376 4.350 -0.001 0.000 0.266 97 T C 0.928 175.612 174.700 -0.027 0.000 1.093 97 T CA 0.479 62.566 62.100 -0.023 0.000 1.129 97 T CB -0.318 68.537 68.868 -0.021 0.000 0.899 97 T HN 0.086 nan 8.240 nan 0.000 0.491 98 K N 1.050 121.428 120.400 -0.036 0.000 2.098 98 K HA 0.568 4.887 4.320 -0.001 0.000 0.261 98 K C 0.692 177.265 176.600 -0.045 0.000 0.987 98 K CA -0.653 55.608 56.287 -0.045 0.000 0.916 98 K CB 1.093 33.557 32.500 -0.059 0.000 1.039 98 K HN 0.304 nan 8.250 nan 0.000 0.455 99 G N 0.549 109.320 108.800 -0.048 0.000 2.491 99 G HA2 0.112 4.072 3.960 -0.001 0.000 0.242 99 G HA3 0.112 4.072 3.960 -0.001 0.000 0.242 99 G C -0.655 174.199 174.900 -0.076 0.000 1.266 99 G CA -0.134 44.936 45.100 -0.050 0.000 0.844 99 G HN 0.411 nan 8.290 nan 0.000 0.571 100 T N 1.094 115.602 114.554 -0.077 0.000 2.791 100 T HA 0.376 4.725 4.350 -0.001 0.000 0.288 100 T C -0.251 174.382 174.700 -0.110 0.000 0.999 100 T CA -0.353 61.690 62.100 -0.096 0.000 0.952 100 T CB 1.604 70.415 68.868 -0.095 0.000 0.938 100 T HN 0.439 nan 8.240 nan 0.000 0.444 101 V N 2.975 122.826 119.914 -0.106 0.000 2.716 101 V HA 0.613 4.732 4.120 -0.001 0.000 0.304 101 V C -0.285 175.776 176.094 -0.056 0.000 1.053 101 V CA -0.550 61.700 62.300 -0.084 0.000 0.984 101 V CB 1.368 33.253 31.823 0.104 0.000 1.021 101 V HN 1.082 nan 8.190 nan 0.000 0.467 102 C N 6.674 125.953 119.300 -0.035 0.000 2.379 102 C HA 0.643 5.102 4.460 -0.001 0.000 0.323 102 C C -0.609 174.317 174.990 -0.107 0.000 1.262 102 C CA -1.038 57.971 59.018 -0.015 0.000 1.581 102 C CB 0.331 28.182 27.740 0.185 0.000 2.221 102 C HN 0.815 nan 8.230 nan 0.000 0.497 103 F N 6.139 125.838 119.950 -0.420 0.000 2.436 103 F HA 0.574 5.100 4.527 -0.001 0.000 0.340 103 F C -0.951 174.647 175.800 -0.336 0.000 1.113 103 F CA -0.630 56.936 58.000 -0.724 0.000 1.022 103 F CB 0.709 38.690 39.000 -1.699 0.000 1.128 103 F HN 0.705 nan 8.300 nan 0.000 0.466 104 Y N 5.156 124.731 120.300 -1.208 0.000 2.352 104 Y HA 0.727 5.277 4.550 -0.002 0.000 0.339 104 Y C -0.389 174.793 175.900 -1.197 0.000 0.992 104 Y CA -0.535 57.034 58.100 -0.885 0.000 1.100 104 Y CB 1.430 39.584 38.460 -0.510 0.000 1.192 104 Y HN 0.802 nan 8.280 nan 0.000 0.458 105 G N 3.463 111.425 108.800 -1.397 0.000 2.695 105 G HA2 0.489 4.448 3.960 -0.001 0.000 0.290 105 G HA3 0.489 4.448 3.960 -0.001 0.000 0.290 105 G C -2.213 172.176 174.900 -0.851 0.000 1.410 105 G CA -1.029 43.476 45.100 -0.990 0.000 0.844 105 G HN 0.946 nan 8.290 nan 0.000 0.478 106 H N -1.685 117.106 119.070 -0.465 0.000 2.622 106 H HA 0.691 5.247 4.556 -0.001 0.000 0.363 106 H C -0.295 174.978 175.328 -0.092 0.000 1.151 106 H CA -1.192 54.695 56.048 -0.267 0.000 1.184 106 H CB 2.088 31.761 29.762 -0.148 0.000 1.643 106 H HN 0.297 nan 8.280 nan 0.000 0.531 107 L N 0.988 122.206 121.223 -0.007 0.000 2.766 107 L HA 0.143 4.482 4.340 -0.001 0.000 0.242 107 L C 0.030 176.922 176.870 0.037 0.000 1.136 107 L CA -0.298 54.531 54.840 -0.018 0.000 0.933 107 L CB 0.006 42.013 42.059 -0.087 0.000 1.241 107 L HN 0.749 nan 8.230 nan 0.000 0.522 108 D N 1.271 121.749 120.400 0.130 0.000 2.329 108 D HA 0.340 4.979 4.640 -0.001 0.000 0.246 108 D C 0.002 176.419 176.300 0.194 0.000 1.111 108 D CA -0.172 53.898 54.000 0.117 0.000 0.941 108 D CB 2.311 43.140 40.800 0.048 0.000 1.169 108 D HN -0.092 nan 8.370 nan 0.000 0.441 109 V N -2.879 117.094 119.914 0.098 0.000 3.102 109 V HA 0.467 4.586 4.120 -0.001 0.000 0.312 109 V C -0.340 175.744 176.094 -0.017 0.000 1.135 109 V CA -1.148 61.210 62.300 0.096 0.000 1.022 109 V CB 1.758 33.660 31.823 0.131 0.000 1.056 109 V HN 0.553 nan 8.190 nan 0.000 0.436 110 Q N 1.116 120.875 119.800 -0.068 0.000 2.312 110 Q HA 0.437 4.777 4.340 -0.001 0.000 0.236 110 Q C -2.498 173.440 176.000 -0.103 0.000 0.965 110 Q CA -1.608 54.087 55.803 -0.181 0.000 0.894 110 Q CB 1.221 29.711 28.738 -0.414 0.000 1.225 110 Q HN 0.587 nan 8.270 nan 0.000 0.478 111 P HA 0.048 nan 4.420 nan 0.000 0.267 111 P C -1.466 175.838 177.300 0.006 0.000 1.200 111 P CA 0.256 63.290 63.100 -0.109 0.000 0.772 111 P CB 0.531 32.159 31.700 -0.121 0.000 0.855 112 A N 1.791 124.617 122.820 0.009 0.000 2.402 112 A HA 0.567 4.887 4.320 -0.001 0.000 0.291 112 A C -1.347 176.215 177.584 -0.037 0.000 1.051 112 A CA -0.347 51.693 52.037 0.005 0.000 0.716 112 A CB 0.937 19.736 19.000 -0.335 0.000 1.223 112 A HN 0.497 nan 8.150 nan 0.000 0.425 113 D N 1.115 121.544 120.400 0.048 0.000 2.646 113 D HA 0.358 4.997 4.640 -0.001 0.000 0.245 113 D C 0.920 177.263 176.300 0.072 0.000 1.099 113 D CA -0.645 53.380 54.000 0.041 0.000 0.849 113 D CB 1.466 42.324 40.800 0.097 0.000 1.448 113 D HN 0.353 nan 8.370 nan 0.000 0.489 114 R N 2.241 122.739 120.500 -0.004 0.000 2.096 114 R HA -0.058 4.281 4.340 -0.001 0.000 0.235 114 R C 1.682 178.096 176.300 0.190 0.000 1.127 114 R CA 1.478 57.631 56.100 0.088 0.000 0.968 114 R CB -0.453 29.864 30.300 0.029 0.000 0.861 114 R HN 0.637 nan 8.270 nan 0.000 0.440 115 G N 0.068 108.945 108.800 0.129 0.000 2.708 115 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.210 115 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.210 115 G C 0.620 175.592 174.900 0.120 0.000 1.141 115 G CA 0.321 45.485 45.100 0.108 0.000 0.788 115 G HN 0.310 nan 8.290 nan 0.000 0.531 116 D N 0.344 120.855 120.400 0.185 0.000 2.269 116 D HA 0.100 4.739 4.640 -0.001 0.000 0.208 116 D C 1.974 178.338 176.300 0.106 0.000 0.963 116 D CA 1.296 55.394 54.000 0.163 0.000 0.864 116 D CB 0.083 41.031 40.800 0.246 0.000 0.936 116 D HN 0.423 nan 8.370 nan 0.000 0.505 117 G N -0.400 108.481 108.800 0.135 0.000 2.161 117 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.140 117 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.140 117 G C -0.558 174.348 174.900 0.011 0.000 1.040 117 G CA -0.806 44.318 45.100 0.040 0.000 0.735 117 G HN 0.029 nan 8.290 nan 0.000 0.496 118 W N 0.491 121.781 121.300 -0.016 0.000 2.216 118 W HA 0.574 5.233 4.660 -0.002 0.000 0.326 118 W C 1.609 178.103 176.519 -0.042 0.000 1.319 118 W CA -0.237 57.090 57.345 -0.029 0.000 1.213 118 W CB 0.591 30.034 29.460 -0.028 0.000 1.171 118 W HN 0.040 nan 8.180 nan 0.000 0.557 119 L N 2.275 123.579 121.223 0.135 0.000 2.529 119 L HA 0.122 4.461 4.340 -0.001 0.000 0.223 119 L C 1.051 177.966 176.870 0.075 0.000 1.113 119 L CA 0.362 55.229 54.840 0.045 0.000 0.861 119 L CB -0.827 41.191 42.059 -0.070 0.000 1.012 119 L HN 0.433 nan 8.230 nan 0.000 0.461 120 T N -4.756 109.903 114.554 0.175 0.000 2.916 120 T HA 0.262 4.611 4.350 -0.001 0.000 0.292 120 T C -0.544 174.223 174.700 0.111 0.000 1.055 120 T CA -0.868 61.312 62.100 0.134 0.000 1.009 120 T CB 2.385 71.336 68.868 0.137 0.000 1.118 120 T HN -0.125 nan 8.240 nan 0.000 0.497 121 D N 2.980 123.388 120.400 0.014 0.000 2.502 121 D HA 0.083 4.722 4.640 -0.001 0.000 0.249 121 D C -0.918 175.217 176.300 -0.274 0.000 1.188 121 D CA -1.751 52.195 54.000 -0.089 0.000 0.890 121 D CB 1.050 41.837 40.800 -0.021 0.000 1.140 121 D HN 0.267 nan 8.370 nan 0.000 0.505 122 P HA -0.167 nan 4.420 nan 0.000 0.223 122 P C 0.416 177.101 177.300 -1.025 0.000 1.144 122 P CA 1.196 63.379 63.100 -1.529 0.000 0.783 122 P CB -0.082 30.269 31.700 -2.248 0.000 0.771 123 Y N -1.369 118.758 120.300 -0.289 0.000 2.555 123 Y HA 0.208 4.757 4.550 -0.002 0.000 0.259 123 Y C 0.737 176.604 175.900 -0.054 0.000 1.179 123 Y CA -0.386 57.636 58.100 -0.131 0.000 1.230 123 Y CB 0.685 39.091 38.460 -0.090 0.000 1.146 123 Y HN -0.330 nan 8.280 nan 0.000 0.526 124 V N 2.075 122.003 119.914 0.022 0.000 2.313 124 V HA 0.156 4.275 4.120 -0.001 0.000 0.278 124 V C -0.309 175.821 176.094 0.060 0.000 1.017 124 V CA -1.017 61.315 62.300 0.053 0.000 0.823 124 V CB 1.260 33.111 31.823 0.047 0.000 1.010 124 V HN 0.080 nan 8.190 nan 0.000 0.443 125 L N 5.778 127.045 121.223 0.073 0.000 2.562 125 L HA 0.242 4.582 4.340 -0.001 0.000 0.271 125 L C 0.459 177.387 176.870 0.096 0.000 1.167 125 L CA 1.424 56.313 54.840 0.082 0.000 0.917 125 L CB 0.412 42.504 42.059 0.054 0.000 1.187 125 L HN 0.725 nan 8.230 nan 0.000 0.482 126 T N 4.878 119.519 114.554 0.144 0.000 2.815 126 T HA 0.232 4.581 4.350 -0.001 0.000 0.289 126 T C -0.451 174.368 174.700 0.198 0.000 1.000 126 T CA -0.495 61.693 62.100 0.145 0.000 0.958 126 T CB 0.972 69.919 68.868 0.131 0.000 0.944 126 T HN 0.572 nan 8.240 nan 0.000 0.442 127 E N 3.128 123.412 120.200 0.141 0.000 2.152 127 E HA 0.428 4.777 4.350 -0.001 0.000 0.285 127 E C -1.068 175.625 176.600 0.155 0.000 1.043 127 E CA -0.486 56.001 56.400 0.146 0.000 0.839 127 E CB 0.474 30.229 29.700 0.093 0.000 1.069 127 E HN 0.329 nan 8.360 nan 0.000 0.399 128 V N 5.028 125.081 119.914 0.232 0.000 2.483 128 V HA 0.148 4.267 4.120 -0.001 0.000 0.297 128 V C -0.573 175.629 176.094 0.181 0.000 1.027 128 V CA -0.895 61.512 62.300 0.180 0.000 0.855 128 V CB 1.708 33.612 31.823 0.135 0.000 0.995 128 V HN 0.868 nan 8.190 nan 0.000 0.424 129 D N 3.806 124.270 120.400 0.107 0.000 2.708 129 D HA -0.184 4.455 4.640 -0.001 0.000 0.236 129 D C 1.336 177.683 176.300 0.078 0.000 1.146 129 D CA 1.724 55.773 54.000 0.082 0.000 0.662 129 D CB -1.139 39.708 40.800 0.078 0.000 1.059 129 D HN 1.542 nan 8.370 nan 0.000 0.428 130 G N -0.472 108.375 108.800 0.080 0.000 2.168 130 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.257 130 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.257 130 G C 0.152 175.085 174.900 0.056 0.000 0.997 130 G CA 0.870 46.015 45.100 0.075 0.000 0.708 130 G HN 0.510 nan 8.290 nan 0.000 0.520 131 K N -0.291 120.137 120.400 0.046 0.000 2.323 131 K HA 0.623 4.942 4.320 -0.001 0.000 0.259 131 K C 0.018 176.554 176.600 -0.107 0.000 0.947 131 K CA -0.796 55.440 56.287 -0.086 0.000 0.819 131 K CB 1.711 34.124 32.500 -0.145 0.000 1.109 131 K HN 0.130 nan 8.250 nan 0.000 0.429 132 L N 4.405 125.514 121.223 -0.190 0.000 2.272 132 L HA 0.341 4.680 4.340 -0.001 0.000 0.284 132 L C -0.850 175.931 176.870 -0.148 0.000 1.045 132 L CA -0.804 53.980 54.840 -0.094 0.000 0.842 132 L CB -0.115 41.882 42.059 -0.102 0.000 1.224 132 L HN 0.476 nan 8.230 nan 0.000 0.430 133 Y N 2.029 122.360 120.300 0.051 0.000 2.365 133 Y HA 0.648 5.197 4.550 -0.001 0.000 0.340 133 Y C 0.946 176.938 175.900 0.153 0.000 1.016 133 Y CA -0.199 57.966 58.100 0.109 0.000 1.196 133 Y CB 1.742 40.278 38.460 0.128 0.000 1.167 133 Y HN 0.609 nan 8.280 nan 0.000 0.509 134 G N 2.369 111.366 108.800 0.327 0.000 2.429 134 G HA2 0.333 4.292 3.960 -0.001 0.000 0.300 134 G HA3 0.333 4.292 3.960 -0.001 0.000 0.300 134 G C -1.960 173.051 174.900 0.184 0.000 1.598 134 G CA -1.391 43.822 45.100 0.188 0.000 0.863 134 G HN 0.452 nan 8.290 nan 0.000 0.614 135 R N 0.455 120.930 120.500 -0.041 0.000 2.484 135 R HA 0.499 4.838 4.340 -0.001 0.000 0.293 135 R C 1.498 177.827 176.300 0.049 0.000 1.023 135 R CA 1.655 57.747 56.100 -0.014 0.000 1.037 135 R CB 0.230 30.295 30.300 -0.391 0.000 0.951 135 R HN 2.290 nan 8.270 nan 0.000 0.418 136 G N 2.522 111.387 108.800 0.107 0.000 2.217 136 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.246 136 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.246 136 G C 1.007 175.947 174.900 0.067 0.000 0.990 136 G CA 0.500 45.661 45.100 0.102 0.000 0.627 136 G HN 0.893 nan 8.290 nan 0.000 0.522 137 A N -0.546 122.302 122.820 0.047 0.000 1.884 137 A HA 0.037 4.356 4.320 -0.001 0.000 0.219 137 A C 2.350 179.913 177.584 -0.034 0.000 1.197 137 A CA 3.302 55.326 52.037 -0.022 0.000 0.637 137 A CB -0.765 18.211 19.000 -0.039 0.000 0.827 137 A HN 1.119 nan 8.150 nan 0.000 0.450 138 T N -2.584 111.970 114.554 -0.001 0.000 3.034 138 T HA 0.082 4.431 4.350 -0.001 0.000 0.248 138 T C -0.223 174.501 174.700 0.040 0.000 1.040 138 T CA 0.742 62.845 62.100 0.006 0.000 1.107 138 T CB -0.093 68.762 68.868 -0.021 0.000 0.932 138 T HN 0.370 nan 8.240 nan 0.000 0.474 139 D N 1.370 121.809 120.400 0.064 0.000 2.432 139 D HA 0.296 4.935 4.640 -0.001 0.000 0.265 139 D C -0.229 176.099 176.300 0.046 0.000 1.160 139 D CA -0.285 53.770 54.000 0.091 0.000 0.911 139 D CB -0.238 40.680 40.800 0.198 0.000 1.052 139 D HN 0.286 nan 8.370 nan 0.000 0.508 140 N N 2.716 121.333 118.700 -0.138 0.000 2.307 140 N HA 0.062 4.801 4.740 -0.001 0.000 0.248 140 N C 0.698 176.181 175.510 -0.044 0.000 1.322 140 N CA -0.146 52.791 53.050 -0.189 0.000 0.861 140 N CB 0.498 38.611 38.487 -0.623 0.000 1.303 140 N HN 0.056 nan 8.380 nan 0.000 0.498 141 K N 0.068 120.490 120.400 0.037 0.000 2.062 141 K HA 0.027 4.346 4.320 -0.001 0.000 0.205 141 K C 1.976 178.651 176.600 0.124 0.000 1.051 141 K CA 1.375 57.753 56.287 0.151 0.000 0.941 141 K CB -0.147 32.486 32.500 0.220 0.000 0.719 141 K HN 0.178 nan 8.250 nan 0.000 0.440 142 G N 2.350 111.182 108.800 0.053 0.000 2.586 142 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.218 142 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.218 142 G C -1.002 174.068 174.900 0.283 0.000 1.216 142 G CA 1.004 46.139 45.100 0.057 0.000 0.786 142 G HN 0.231 nan 8.290 nan 0.000 0.583 143 P HA 0.004 nan 4.420 nan 0.000 0.218 143 P C 2.069 179.625 177.300 0.427 0.000 1.149 143 P CA 0.629 63.951 63.100 0.369 0.000 0.817 143 P CB -0.052 31.851 31.700 0.338 0.000 0.785 144 V N -0.655 119.465 119.914 0.343 0.000 2.343 144 V HA -0.212 3.908 4.120 -0.001 0.000 0.247 144 V C 2.361 178.588 176.094 0.220 0.000 1.051 144 V CA 1.611 64.130 62.300 0.366 0.000 1.036 144 V CB -1.094 30.931 31.823 0.338 0.000 0.654 144 V HN 0.093 nan 8.190 nan 0.000 0.451 145 L N -0.244 121.056 121.223 0.128 0.000 2.109 145 L HA -0.082 4.257 4.340 -0.001 0.000 0.207 145 L C 2.719 179.564 176.870 -0.041 0.000 1.086 145 L CA 1.232 56.040 54.840 -0.052 0.000 0.760 145 L CB -0.705 41.274 42.059 -0.134 0.000 0.910 145 L HN 0.348 nan 8.230 nan 0.000 0.437 146 A N -0.041 122.841 122.820 0.102 0.000 1.892 146 A HA -0.304 4.015 4.320 -0.001 0.000 0.218 146 A C 2.169 179.855 177.584 0.170 0.000 1.188 146 A CA 1.951 53.991 52.037 0.005 0.000 0.631 146 A CB -1.186 17.890 19.000 0.127 0.000 0.822 146 A HN 0.700 nan 8.150 nan 0.000 0.447 147 W N 0.578 121.905 121.300 0.045 0.000 2.355 147 W HA -0.165 4.494 4.660 -0.001 0.000 0.309 147 W C 1.895 178.339 176.519 -0.125 0.000 1.206 147 W CA 1.865 59.042 57.345 -0.281 0.000 1.284 147 W CB -0.416 28.291 29.460 -1.256 0.000 1.145 147 W HN 0.356 nan 8.180 nan 0.000 0.502 148 I N 1.356 121.999 120.570 0.122 0.000 2.179 148 I HA -0.389 3.780 4.170 -0.001 0.000 0.242 148 I C 2.075 178.111 176.117 -0.136 0.000 1.088 148 I CA 1.581 62.912 61.300 0.053 0.000 1.357 148 I CB -0.825 37.185 38.000 0.018 0.000 1.051 148 I HN -0.050 nan 8.210 nan 0.000 0.409 149 N N 1.114 119.620 118.700 -0.324 0.000 2.223 149 N HA -0.114 4.626 4.740 -0.001 0.000 0.185 149 N C 1.812 177.089 175.510 -0.388 0.000 1.016 149 N CA 1.441 54.100 53.050 -0.651 0.000 0.863 149 N CB -0.349 37.289 38.487 -1.415 0.000 0.983 149 N HN 0.369 nan 8.380 nan 0.000 0.429 150 A N 0.622 123.306 122.820 -0.226 0.000 1.873 150 A HA -0.047 4.272 4.320 -0.001 0.000 0.215 150 A C 2.440 180.031 177.584 0.011 0.000 1.186 150 A CA 1.125 53.104 52.037 -0.097 0.000 0.616 150 A CB -0.757 18.135 19.000 -0.181 0.000 0.823 150 A HN 0.083 nan 8.150 nan 0.000 0.442 151 V N 1.240 121.159 119.914 0.009 0.000 2.392 151 V HA -0.267 3.853 4.120 -0.001 0.000 0.249 151 V C 2.980 179.049 176.094 -0.042 0.000 1.059 151 V CA 2.451 64.753 62.300 0.004 0.000 1.051 151 V CB -0.984 30.837 31.823 -0.004 0.000 0.658 151 V HN 0.815 nan 8.190 nan 0.000 0.455 152 S N 0.731 116.391 115.700 -0.065 0.000 2.395 152 S HA -0.039 4.430 4.470 -0.001 0.000 0.225 152 S C 2.142 176.651 174.600 -0.152 0.000 1.027 152 S CA 1.017 59.174 58.200 -0.071 0.000 0.965 152 S CB -0.429 62.750 63.200 -0.036 0.000 0.812 152 S HN 0.555 nan 8.310 nan 0.000 0.482 153 A N 1.371 124.098 122.820 -0.155 0.000 1.892 153 A HA 0.058 4.377 4.320 -0.001 0.000 0.218 153 A C 2.452 179.779 177.584 -0.428 0.000 1.188 153 A CA 2.306 54.069 52.037 -0.457 0.000 0.631 153 A CB -1.771 17.193 19.000 -0.061 0.000 0.822 153 A HN 1.083 nan 8.150 nan 0.000 0.447 154 F N -0.450 119.385 119.950 -0.192 0.000 2.171 154 F HA -0.019 4.507 4.527 -0.001 0.000 0.300 154 F C 2.495 178.204 175.800 -0.151 0.000 1.090 154 F CA 2.359 60.275 58.000 -0.140 0.000 1.293 154 F CB -0.732 38.230 39.000 -0.063 0.000 1.013 154 F HN 0.357 nan 8.300 nan 0.000 0.486 155 R N 0.466 120.878 120.500 -0.146 0.000 2.073 155 R HA 0.139 4.478 4.340 -0.001 0.000 0.229 155 R C 2.491 178.713 176.300 -0.131 0.000 1.120 155 R CA 1.505 57.539 56.100 -0.111 0.000 0.967 155 R CB -0.955 29.297 30.300 -0.079 0.000 0.862 155 R HN 0.379 nan 8.270 nan 0.000 0.436 156 A N 0.028 122.723 122.820 -0.209 0.000 1.972 156 A HA -0.045 4.274 4.320 -0.001 0.000 0.219 156 A C 1.809 179.281 177.584 -0.188 0.000 1.169 156 A CA 1.094 53.006 52.037 -0.208 0.000 0.635 156 A CB -0.380 18.428 19.000 -0.320 0.000 0.810 156 A HN 0.328 nan 8.150 nan 0.000 0.446 157 L N -0.984 120.092 121.223 -0.246 0.000 2.611 157 L HA 0.230 4.569 4.340 -0.001 0.000 0.229 157 L C 1.376 178.195 176.870 -0.086 0.000 1.137 157 L CA 0.496 55.252 54.840 -0.140 0.000 0.901 157 L CB -0.661 41.306 42.059 -0.154 0.000 1.098 157 L HN 0.607 nan 8.230 nan 0.000 0.456 158 E N 0.238 120.386 120.200 -0.085 0.000 2.403 158 E HA -0.233 4.116 4.350 -0.001 0.000 0.241 158 E C 0.265 176.829 176.600 -0.059 0.000 1.201 158 E CA 0.936 57.299 56.400 -0.061 0.000 0.721 158 E CB -2.361 27.315 29.700 -0.040 0.000 1.245 158 E HN 0.524 nan 8.360 nan 0.000 0.392 159 Q N 0.178 119.933 119.800 -0.074 0.000 2.274 159 Q HA 0.444 4.783 4.340 -0.001 0.000 0.256 159 Q C -0.172 175.789 176.000 -0.065 0.000 0.927 159 Q CA -0.398 55.365 55.803 -0.067 0.000 0.939 159 Q CB 1.308 30.002 28.738 -0.073 0.000 1.201 159 Q HN 0.660 nan 8.270 nan 0.000 0.426 160 D N 1.711 122.076 120.400 -0.058 0.000 2.455 160 D HA 0.026 4.665 4.640 -0.001 0.000 0.241 160 D C -0.372 175.885 176.300 -0.071 0.000 1.138 160 D CA 0.044 54.008 54.000 -0.060 0.000 0.877 160 D CB 0.637 41.407 40.800 -0.051 0.000 1.187 160 D HN 0.335 nan 8.370 nan 0.000 0.451 161 L N 5.856 127.024 121.223 -0.091 0.000 2.410 161 L HA 0.147 4.486 4.340 -0.001 0.000 0.273 161 L C -1.217 175.583 176.870 -0.116 0.000 1.144 161 L CA -1.466 53.296 54.840 -0.130 0.000 0.863 161 L CB 0.987 42.923 42.059 -0.204 0.000 1.140 161 L HN 0.540 nan 8.230 nan 0.000 0.463 162 P HA -0.132 nan 4.420 nan 0.000 0.216 162 P C 0.139 177.377 177.300 -0.103 0.000 1.150 162 P CA 1.168 64.222 63.100 -0.077 0.000 0.843 162 P CB 0.138 31.817 31.700 -0.036 0.000 0.787 163 V N -1.688 118.131 119.914 -0.159 0.000 2.914 163 V HA 0.412 4.531 4.120 -0.001 0.000 0.314 163 V C -0.099 175.886 176.094 -0.182 0.000 1.084 163 V CA -1.139 61.066 62.300 -0.159 0.000 0.963 163 V CB 1.196 32.924 31.823 -0.158 0.000 1.025 163 V HN -0.224 nan 8.190 nan 0.000 0.432 164 N N 3.340 121.957 118.700 -0.138 0.000 2.452 164 N HA 0.413 5.152 4.740 -0.001 0.000 0.266 164 N C -0.818 174.595 175.510 -0.162 0.000 1.209 164 N CA 0.432 53.404 53.050 -0.131 0.000 0.929 164 N CB 1.262 39.687 38.487 -0.103 0.000 1.063 164 N HN 0.641 nan 8.380 nan 0.000 0.472 165 I N 2.140 122.598 120.570 -0.188 0.000 2.339 165 I HA 0.249 4.418 4.170 -0.001 0.000 0.290 165 I C 0.498 176.439 176.117 -0.292 0.000 0.994 165 I CA -0.546 60.595 61.300 -0.265 0.000 1.191 165 I CB 1.245 39.005 38.000 -0.400 0.000 1.343 165 I HN 0.122 nan 8.210 nan 0.000 0.458 166 K N 5.521 125.746 120.400 -0.291 0.000 2.156 166 K HA 0.691 5.010 4.320 -0.001 0.000 0.250 166 K C -1.389 175.079 176.600 -0.220 0.000 0.955 166 K CA -0.563 55.635 56.287 -0.149 0.000 0.855 166 K CB 1.875 34.246 32.500 -0.214 0.000 1.101 166 K HN 0.285 nan 8.250 nan 0.000 0.434 167 F N 2.024 122.147 119.950 0.289 0.000 2.529 167 F HA 0.477 5.003 4.527 -0.002 0.000 0.320 167 F C -0.218 175.682 175.800 0.166 0.000 1.118 167 F CA -0.903 57.226 58.000 0.214 0.000 0.915 167 F CB 1.376 40.488 39.000 0.187 0.000 1.161 167 F HN 0.252 nan 8.300 nan 0.000 0.445 168 I N 5.545 126.258 120.570 0.238 0.000 2.437 168 I HA 0.462 4.632 4.170 -0.001 0.000 0.279 168 I C -1.495 174.612 176.117 -0.017 0.000 1.028 168 I CA -0.451 60.919 61.300 0.116 0.000 1.142 168 I CB 0.304 38.450 38.000 0.244 0.000 1.266 168 I HN 0.418 nan 8.210 nan 0.000 0.461 169 I N 7.262 127.799 120.570 -0.054 0.000 2.406 169 I HA 0.421 4.590 4.170 -0.001 0.000 0.290 169 I C -0.100 175.934 176.117 -0.137 0.000 0.999 169 I CA -0.375 60.834 61.300 -0.153 0.000 1.124 169 I CB 1.561 39.526 38.000 -0.059 0.000 1.289 169 I HN 0.618 nan 8.210 nan 0.000 0.441 170 E N 3.783 123.881 120.200 -0.169 0.000 2.355 170 E HA 0.774 5.123 4.350 -0.001 0.000 0.261 170 E C 0.001 176.557 176.600 -0.073 0.000 0.943 170 E CA -0.885 55.465 56.400 -0.084 0.000 0.806 170 E CB 2.204 31.915 29.700 0.019 0.000 1.286 170 E HN 0.607 nan 8.360 nan 0.000 0.424 171 G N 0.484 109.235 108.800 -0.082 0.000 3.735 171 G HA2 0.173 4.132 3.960 -0.001 0.000 0.283 171 G HA3 0.173 4.132 3.960 -0.001 0.000 0.283 171 G C 0.171 175.031 174.900 -0.068 0.000 1.007 171 G CA -0.238 44.813 45.100 -0.083 0.000 0.821 171 G HN 0.328 nan 8.290 nan 0.000 0.505 172 M N 0.444 120.009 119.600 -0.058 0.000 2.504 172 M HA 0.281 4.760 4.480 -0.001 0.000 0.370 172 M C 1.351 177.594 176.300 -0.096 0.000 1.110 172 M CA -0.393 54.864 55.300 -0.072 0.000 0.938 172 M CB 0.750 33.310 32.600 -0.066 0.000 1.460 172 M HN 0.191 nan 8.290 nan 0.000 0.535 173 E N 1.668 121.786 120.200 -0.136 0.000 2.077 173 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 173 E C 0.902 177.343 176.600 -0.264 0.000 0.989 173 E CA 1.341 57.599 56.400 -0.238 0.000 0.800 173 E CB 0.451 29.812 29.700 -0.565 0.000 0.746 173 E HN 0.400 nan 8.360 nan 0.000 0.452 174 E N -0.613 119.422 120.200 -0.275 0.000 2.482 174 E HA -0.039 4.310 4.350 -0.001 0.000 0.196 174 E C 0.774 177.270 176.600 -0.174 0.000 1.047 174 E CA 0.583 56.861 56.400 -0.202 0.000 0.869 174 E CB 0.331 29.928 29.700 -0.173 0.000 0.836 174 E HN 0.207 nan 8.360 nan 0.000 0.520 175 A N -0.166 122.559 122.820 -0.157 0.000 2.594 175 A HA 0.491 4.810 4.320 -0.001 0.000 0.287 175 A C 1.215 178.719 177.584 -0.133 0.000 1.227 175 A CA 0.337 52.280 52.037 -0.157 0.000 0.952 175 A CB 0.127 19.047 19.000 -0.133 0.000 1.161 175 A HN 0.136 nan 8.150 nan 0.000 0.524 176 G N -0.894 107.836 108.800 -0.117 0.000 2.132 176 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.234 176 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.234 176 G C 0.516 175.373 174.900 -0.071 0.000 0.989 176 G CA 0.209 45.256 45.100 -0.089 0.000 0.676 176 G HN 1.372 nan 8.290 nan 0.000 0.522 177 S N -2.288 113.371 115.700 -0.069 0.000 3.682 177 S HA -0.222 4.247 4.470 -0.001 0.000 0.354 177 S C 0.919 175.496 174.600 -0.039 0.000 1.034 177 S CA 0.585 58.760 58.200 -0.041 0.000 1.084 177 S CB -1.599 61.580 63.200 -0.036 0.000 0.903 177 S HN 1.764 nan 8.310 nan 0.000 0.470 178 V N 0.157 120.042 119.914 -0.049 0.000 2.625 178 V HA 0.202 4.321 4.120 -0.001 0.000 0.305 178 V C 1.568 177.642 176.094 -0.032 0.000 1.055 178 V CA 1.010 63.284 62.300 -0.043 0.000 1.209 178 V CB -0.367 31.427 31.823 -0.048 0.000 0.877 178 V HN 1.734 nan 8.190 nan 0.000 0.489 179 A N 3.269 126.074 122.820 -0.025 0.000 3.396 179 A HA -0.234 4.085 4.320 -0.001 0.000 0.267 179 A C 1.106 178.683 177.584 -0.012 0.000 1.139 179 A CA 1.277 53.304 52.037 -0.018 0.000 1.115 179 A CB -1.800 17.188 19.000 -0.019 0.000 1.133 179 A HN 1.137 nan 8.150 nan 0.000 0.920 180 L N 0.098 121.315 121.223 -0.010 0.000 2.156 180 L HA 0.074 4.413 4.340 -0.001 0.000 0.208 180 L C 2.027 178.901 176.870 0.007 0.000 1.095 180 L CA 2.823 57.666 54.840 0.005 0.000 0.770 180 L CB -0.320 41.745 42.059 0.010 0.000 0.914 180 L HN 0.567 nan 8.230 nan 0.000 0.439 181 E N -0.719 119.477 120.200 -0.006 0.000 2.106 181 E HA -0.237 4.112 4.350 -0.001 0.000 0.192 181 E C 1.821 178.420 176.600 -0.002 0.000 0.984 181 E CA 1.067 57.462 56.400 -0.009 0.000 0.806 181 E CB 0.147 29.839 29.700 -0.013 0.000 0.750 181 E HN 0.489 nan 8.360 nan 0.000 0.458 182 E N 0.467 120.667 120.200 0.001 0.000 2.150 182 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 182 E C 1.830 178.439 176.600 0.015 0.000 0.985 182 E CA 0.551 56.953 56.400 0.004 0.000 0.814 182 E CB -0.180 29.520 29.700 0.000 0.000 0.752 182 E HN 0.215 nan 8.360 nan 0.000 0.466 183 L N -0.183 121.054 121.223 0.022 0.000 2.072 183 L HA -0.094 4.245 4.340 -0.001 0.000 0.205 183 L C 2.006 178.932 176.870 0.093 0.000 1.079 183 L CA 1.181 56.044 54.840 0.039 0.000 0.752 183 L CB -0.268 41.805 42.059 0.023 0.000 0.906 183 L HN -0.004 nan 8.230 nan 0.000 0.436 184 V N -0.119 119.856 119.914 0.102 0.000 2.343 184 V HA -0.275 3.844 4.120 -0.001 0.000 0.247 184 V C 2.624 178.766 176.094 0.079 0.000 1.051 184 V CA 1.848 64.235 62.300 0.145 0.000 1.036 184 V CB -0.583 31.265 31.823 0.041 0.000 0.654 184 V HN 0.576 nan 8.190 nan 0.000 0.451 185 E N 0.998 121.211 120.200 0.021 0.000 2.051 185 E HA -0.274 4.075 4.350 -0.001 0.000 0.192 185 E C 2.213 178.830 176.600 0.029 0.000 0.991 185 E CA 1.940 58.337 56.400 -0.004 0.000 0.799 185 E CB -0.380 29.312 29.700 -0.014 0.000 0.748 185 E HN 0.534 nan 8.360 nan 0.000 0.449 186 K N -0.361 120.066 120.400 0.045 0.000 2.209 186 K HA -0.124 4.195 4.320 -0.001 0.000 0.204 186 K C 0.873 177.523 176.600 0.082 0.000 1.048 186 K CA 1.445 57.761 56.287 0.049 0.000 0.940 186 K CB 0.165 32.686 32.500 0.035 0.000 0.729 186 K HN 0.079 nan 8.250 nan 0.000 0.451 187 E N -0.004 120.284 120.200 0.146 0.000 2.538 187 E HA -0.031 4.318 4.350 -0.001 0.000 0.207 187 E C 0.998 177.804 176.600 0.343 0.000 1.002 187 E CA 0.053 56.588 56.400 0.226 0.000 0.952 187 E CB 0.807 30.654 29.700 0.245 0.000 1.031 187 E HN 0.442 nan 8.360 nan 0.000 0.476 188 K N 0.815 121.345 120.400 0.216 0.000 2.113 188 K HA -0.152 4.167 4.320 -0.001 0.000 0.208 188 K C 0.870 177.541 176.600 0.118 0.000 1.047 188 K CA 1.665 58.023 56.287 0.118 0.000 0.928 188 K CB 0.089 32.556 32.500 -0.055 0.000 0.716 188 K HN -0.148 nan 8.250 nan 0.000 0.446 189 D N -0.595 119.861 120.400 0.093 0.000 2.433 189 D HA 0.026 4.665 4.640 -0.001 0.000 0.211 189 D C 1.327 177.669 176.300 0.070 0.000 1.114 189 D CA 0.056 54.095 54.000 0.065 0.000 0.837 189 D CB 0.774 41.595 40.800 0.035 0.000 0.984 189 D HN 0.113 nan 8.370 nan 0.000 0.505 190 R N -0.286 120.272 120.500 0.098 0.000 1.806 190 R HA 0.122 4.462 4.340 -0.001 0.000 0.156 190 R C 1.890 178.239 176.300 0.082 0.000 1.954 190 R CA -0.019 56.131 56.100 0.084 0.000 1.548 190 R CB -1.421 28.930 30.300 0.086 0.000 1.149 190 R HN 0.080 nan 8.270 nan 0.000 0.478 191 F N 0.974 120.878 119.950 -0.077 0.000 2.115 191 F HA -0.052 4.474 4.527 -0.001 0.000 0.300 191 F C 1.672 177.305 175.800 -0.278 0.000 1.092 191 F CA 1.911 59.773 58.000 -0.229 0.000 1.245 191 F CB -0.340 38.419 39.000 -0.401 0.000 0.995 191 F HN 0.313 nan 8.300 nan 0.000 0.481 192 F N 0.331 120.323 119.950 0.070 0.000 2.797 192 F HA 0.299 4.825 4.527 -0.001 0.000 0.302 192 F C 1.726 177.503 175.800 -0.037 0.000 1.130 192 F CA 0.358 58.361 58.000 0.005 0.000 1.387 192 F CB -1.317 37.751 39.000 0.114 0.000 1.107 192 F HN -0.050 nan 8.300 nan 0.000 0.577 193 S N 0.153 115.898 115.700 0.075 0.000 2.510 193 S HA 0.449 4.918 4.470 -0.001 0.000 0.279 193 S C 1.521 176.117 174.600 -0.006 0.000 1.284 193 S CA 0.268 58.490 58.200 0.038 0.000 1.059 193 S CB -0.260 62.953 63.200 0.022 0.000 0.901 193 S HN 0.640 nan 8.310 nan 0.000 0.491 194 G N 1.577 110.387 108.800 0.016 0.000 2.268 194 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.240 194 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.240 194 G C 0.355 175.260 174.900 0.008 0.000 1.010 194 G CA 0.054 45.153 45.100 -0.001 0.000 0.618 194 G HN 1.371 nan 8.290 nan 0.000 0.516 195 V N 2.094 122.030 119.914 0.036 0.000 2.493 195 V HA 0.404 4.524 4.120 -0.001 0.000 0.292 195 V C 1.789 177.962 176.094 0.131 0.000 1.016 195 V CA 1.583 63.930 62.300 0.079 0.000 1.097 195 V CB 0.193 32.144 31.823 0.212 0.000 0.947 195 V HN 0.658 nan 8.190 nan 0.000 0.479 196 D N 4.741 125.182 120.400 0.068 0.000 2.075 196 D HA 0.037 4.676 4.640 -0.001 0.000 0.196 196 D C 0.512 176.987 176.300 0.292 0.000 0.985 196 D CA 1.986 56.061 54.000 0.125 0.000 0.834 196 D CB -0.057 40.767 40.800 0.039 0.000 0.987 196 D HN 0.833 nan 8.370 nan 0.000 0.452 197 Y N -3.391 117.032 120.300 0.205 0.000 2.705 197 Y HA 0.651 5.200 4.550 -0.001 0.000 0.332 197 Y C -1.030 174.912 175.900 0.070 0.000 1.221 197 Y CA -1.775 56.447 58.100 0.204 0.000 1.059 197 Y CB 1.145 39.725 38.460 0.201 0.000 1.298 197 Y HN 0.214 nan 8.280 nan 0.000 0.459 198 I N 2.184 122.762 120.570 0.012 0.000 2.392 198 I HA 0.609 4.778 4.170 -0.001 0.000 0.295 198 I C -1.226 174.848 176.117 -0.071 0.000 0.985 198 I CA -1.083 60.039 61.300 -0.296 0.000 1.221 198 I CB 1.310 38.669 38.000 -1.069 0.000 1.366 198 I HN 0.566 nan 8.210 nan 0.000 0.467 199 V N 8.214 128.060 119.914 -0.113 0.000 2.459 199 V HA 0.491 4.610 4.120 -0.001 0.000 0.295 199 V C -0.119 175.814 176.094 -0.268 0.000 1.029 199 V CA -0.472 61.769 62.300 -0.098 0.000 0.874 199 V CB 1.671 33.433 31.823 -0.101 0.000 0.985 199 V HN 0.476 nan 8.190 nan 0.000 0.438 200 I N 3.079 123.548 120.570 -0.168 0.000 2.545 200 I HA 0.484 4.653 4.170 -0.001 0.000 0.292 200 I C -0.223 175.913 176.117 0.032 0.000 1.040 200 I CA -0.310 60.885 61.300 -0.176 0.000 1.068 200 I CB 2.254 40.158 38.000 -0.160 0.000 1.251 200 I HN 0.556 nan 8.210 nan 0.000 0.424 201 S N 3.754 119.521 115.700 0.113 0.000 2.395 201 S HA 0.364 4.833 4.470 -0.001 0.000 0.207 201 S C -0.894 173.831 174.600 0.209 0.000 1.454 201 S CA -0.322 58.053 58.200 0.291 0.000 1.211 201 S CB 0.005 63.581 63.200 0.628 0.000 1.093 201 S HN 0.680 nan 8.310 nan 0.000 0.472 202 D N 3.384 123.878 120.400 0.158 0.000 3.453 202 D HA 0.231 4.870 4.640 -0.001 0.000 0.312 202 D C -0.634 175.743 176.300 0.128 0.000 1.349 202 D CA -0.171 53.917 54.000 0.146 0.000 0.739 202 D CB -0.011 40.899 40.800 0.184 0.000 1.312 202 D HN 0.652 nan 8.370 nan 0.000 0.628 203 N N -0.437 118.336 118.700 0.121 0.000 3.116 203 N HA 0.304 5.043 4.740 -0.001 0.000 0.244 203 N C -1.393 174.183 175.510 0.109 0.000 1.485 203 N CA -0.584 52.530 53.050 0.106 0.000 0.884 203 N CB 0.970 39.517 38.487 0.100 0.000 1.415 203 N HN -0.023 nan 8.380 nan 0.000 0.524 204 L N -0.603 120.690 121.223 0.117 0.000 2.330 204 L HA 0.574 4.913 4.340 -0.001 0.000 0.271 204 L C -0.083 176.956 176.870 0.282 0.000 1.013 204 L CA -1.108 53.795 54.840 0.105 0.000 0.816 204 L CB 0.904 43.006 42.059 0.072 0.000 1.287 204 L HN 0.465 nan 8.230 nan 0.000 0.435 205 W N 1.993 123.335 121.300 0.070 0.000 2.089 205 W HA 0.146 4.805 4.660 -0.001 0.000 0.355 205 W C 1.310 177.904 176.519 0.125 0.000 1.305 205 W CA -0.716 56.675 57.345 0.076 0.000 1.281 205 W CB -0.020 29.464 29.460 0.040 0.000 1.183 205 W HN 0.531 nan 8.180 nan 0.000 0.604 206 I N -1.933 118.869 120.570 0.388 0.000 3.526 206 I HA 0.242 4.411 4.170 -0.001 0.000 0.294 206 I C 1.121 177.425 176.117 0.311 0.000 1.229 206 I CA 0.395 61.893 61.300 0.329 0.000 1.408 206 I CB -0.544 37.613 38.000 0.263 0.000 1.127 206 I HN 0.207 nan 8.210 nan 0.000 0.439 211 P HA 0.709 nan 4.420 nan 0.000 0.275 211 P C -0.186 176.676 177.300 -0.731 0.000 1.270 211 P CA 0.064 62.181 63.100 -1.637 0.000 0.791 211 P CB 1.287 32.245 31.700 -1.238 0.000 1.089 212 A N -0.215 122.303 122.820 -0.504 0.000 2.610 212 A HA 0.708 5.028 4.320 -0.001 0.000 0.291 212 A C -1.266 176.281 177.584 -0.062 0.000 1.086 212 A CA -0.627 51.307 52.037 -0.171 0.000 0.677 212 A CB 0.843 19.803 19.000 -0.067 0.000 1.278 212 A HN 0.384 nan 8.150 nan 0.000 0.414 213 I N 0.780 121.317 120.570 -0.055 0.000 2.474 213 I HA 0.472 4.642 4.170 -0.001 0.000 0.294 213 I C -0.332 175.738 176.117 -0.077 0.000 1.005 213 I CA -0.384 60.865 61.300 -0.084 0.000 1.113 213 I CB 2.588 40.465 38.000 -0.206 0.000 1.289 213 I HN 0.594 nan 8.210 nan 0.000 0.436 214 T N 5.055 119.580 114.554 -0.049 0.000 2.758 214 T HA 0.250 4.599 4.350 -0.001 0.000 0.285 214 T C 0.060 174.800 174.700 0.066 0.000 0.981 214 T CA -0.226 61.850 62.100 -0.041 0.000 0.965 214 T CB 0.474 69.340 68.868 -0.004 0.000 0.927 214 T HN 0.556 nan 8.240 nan 0.000 0.448 215 Y N 0.648 120.850 120.300 -0.163 0.000 2.481 215 Y HA 0.687 5.236 4.550 -0.001 0.000 0.247 215 Y C 0.509 176.005 175.900 -0.675 0.000 1.151 215 Y CA -1.020 56.933 58.100 -0.246 0.000 1.238 215 Y CB 0.381 38.750 38.460 -0.151 0.000 1.179 215 Y HN 0.673 nan 8.280 nan 0.000 0.524 216 G N 0.464 108.802 108.800 -0.770 0.000 2.768 216 G HA2 0.491 4.450 3.960 -0.001 0.000 0.297 216 G HA3 0.491 4.450 3.960 -0.001 0.000 0.297 216 G C -1.417 173.336 174.900 -0.245 0.000 1.430 216 G CA -0.422 44.272 45.100 -0.678 0.000 1.030 216 G HN 0.348 nan 8.290 nan 0.000 0.553 217 T N -1.047 113.546 114.554 0.066 0.000 2.906 217 T HA 0.723 5.072 4.350 -0.001 0.000 0.295 217 T C -0.071 174.688 174.700 0.099 0.000 1.061 217 T CA -0.966 61.202 62.100 0.113 0.000 1.000 217 T CB 2.259 71.266 68.868 0.231 0.000 1.103 217 T HN 0.569 nan 8.240 nan 0.000 0.486 218 R N 0.225 120.773 120.500 0.081 0.000 2.577 218 R HA 0.622 4.961 4.340 -0.001 0.000 0.269 218 R C 0.989 177.352 176.300 0.106 0.000 1.084 218 R CA -0.555 55.598 56.100 0.088 0.000 1.163 218 R CB 0.690 31.046 30.300 0.093 0.000 1.100 218 R HN 0.895 nan 8.270 nan 0.000 0.547 219 G N 0.203 109.063 108.800 0.099 0.000 2.543 219 G HA2 0.199 4.158 3.960 -0.001 0.000 0.290 219 G HA3 0.199 4.158 3.960 -0.001 0.000 0.290 219 G C -0.731 174.212 174.900 0.072 0.000 1.310 219 G CA -0.257 44.893 45.100 0.083 0.000 1.025 219 G HN 0.475 nan 8.290 nan 0.000 0.502 220 N N -1.935 116.793 118.700 0.047 0.000 2.367 220 N HA 0.467 5.206 4.740 -0.001 0.000 0.278 220 N C -1.530 173.992 175.510 0.020 0.000 1.117 220 N CA -0.458 52.631 53.050 0.065 0.000 0.867 220 N CB 2.281 40.830 38.487 0.102 0.000 1.649 220 N HN 0.270 nan 8.380 nan 0.000 0.479 221 S N 2.025 117.748 115.700 0.038 0.000 2.707 221 S HA 0.350 4.819 4.470 -0.001 0.000 0.312 221 S C -1.553 172.984 174.600 -0.105 0.000 1.116 221 S CA -0.362 57.795 58.200 -0.072 0.000 1.078 221 S CB 0.167 63.407 63.200 0.065 0.000 0.997 221 S HN 0.468 nan 8.310 nan 0.000 0.477 222 Y N 3.409 123.493 120.300 -0.360 0.000 2.328 222 Y HA 0.587 5.136 4.550 -0.002 0.000 0.337 222 Y C -1.093 174.442 175.900 -0.609 0.000 1.008 222 Y CA -0.703 57.221 58.100 -0.293 0.000 1.129 222 Y CB 0.584 38.944 38.460 -0.165 0.000 1.185 222 Y HN 0.547 nan 8.280 nan 0.000 0.476 223 F N 5.452 125.145 119.950 -0.429 0.000 2.480 223 F HA 0.552 5.078 4.527 -0.001 0.000 0.329 223 F C -0.310 175.341 175.800 -0.248 0.000 1.091 223 F CA -0.800 56.920 58.000 -0.467 0.000 0.972 223 F CB 1.623 39.990 39.000 -1.056 0.000 1.150 223 F HN 0.236 nan 8.300 nan 0.000 0.467 224 M N 3.447 123.103 119.600 0.093 0.000 2.294 224 M HA 0.531 5.010 4.480 -0.001 0.000 0.335 224 M C -1.316 175.059 176.300 0.124 0.000 1.079 224 M CA -0.872 54.501 55.300 0.121 0.000 0.982 224 M CB 2.074 34.734 32.600 0.099 0.000 1.651 224 M HN 0.208 nan 8.290 nan 0.000 0.437 225 V N 2.508 122.506 119.914 0.139 0.000 2.325 225 V HA 0.284 4.403 4.120 -0.001 0.000 0.280 225 V C -0.254 175.878 176.094 0.063 0.000 1.016 225 V CA -0.688 61.681 62.300 0.115 0.000 0.818 225 V CB 1.237 33.163 31.823 0.173 0.000 1.019 225 V HN 0.815 nan 8.190 nan 0.000 0.434 226 E N 3.855 124.067 120.200 0.020 0.000 2.227 226 E HA 0.583 4.932 4.350 -0.001 0.000 0.282 226 E C -1.437 175.135 176.600 -0.046 0.000 1.015 226 E CA -0.397 56.006 56.400 0.004 0.000 0.823 226 E CB 1.822 31.524 29.700 0.004 0.000 1.081 226 E HN 0.482 nan 8.360 nan 0.000 0.396 227 V N 5.448 125.353 119.914 -0.015 0.000 2.483 227 V HA 0.394 4.513 4.120 -0.001 0.000 0.297 227 V C -0.307 175.808 176.094 0.035 0.000 1.027 227 V CA -0.788 61.499 62.300 -0.021 0.000 0.855 227 V CB 1.581 33.422 31.823 0.031 0.000 0.995 227 V HN 0.584 nan 8.190 nan 0.000 0.424 228 K N 2.853 123.276 120.400 0.039 0.000 2.443 228 K HA 0.472 4.791 4.320 -0.001 0.000 0.252 228 K C 0.087 176.742 176.600 0.092 0.000 0.933 228 K CA -0.439 55.886 56.287 0.062 0.000 0.792 228 K CB 2.287 34.809 32.500 0.036 0.000 1.185 228 K HN 0.782 nan 8.250 nan 0.000 0.425 229 C N 4.340 123.714 119.300 0.123 0.000 2.598 229 C HA 0.363 4.822 4.460 -0.001 0.000 0.291 229 C C 0.399 175.460 174.990 0.119 0.000 1.437 229 C CA 0.152 59.260 59.018 0.150 0.000 1.864 229 C CB -0.041 27.836 27.740 0.228 0.000 2.068 229 C HN 0.978 nan 8.230 nan 0.000 0.618 230 R N -0.026 120.533 120.500 0.099 0.000 2.795 230 R HA 0.418 4.757 4.340 -0.001 0.000 0.268 230 R C -0.355 175.928 176.300 -0.028 0.000 1.041 230 R CA -0.425 55.683 56.100 0.012 0.000 0.927 230 R CB 0.206 30.478 30.300 -0.047 0.000 1.235 230 R HN 0.005 nan 8.270 nan 0.000 0.463 231 D N 0.078 120.443 120.400 -0.058 0.000 2.162 231 D HA -0.090 4.549 4.640 -0.001 0.000 0.203 231 D C 0.040 176.275 176.300 -0.108 0.000 0.967 231 D CA 1.123 55.089 54.000 -0.057 0.000 0.840 231 D CB 0.221 40.997 40.800 -0.041 0.000 0.972 231 D HN 0.418 nan 8.370 nan 0.000 0.482 232 Q N 1.595 121.281 119.800 -0.190 0.000 2.313 232 Q HA 0.016 4.356 4.340 -0.001 0.000 0.266 232 Q C -0.620 175.141 176.000 -0.398 0.000 0.989 232 Q CA -0.379 55.271 55.803 -0.254 0.000 0.890 232 Q CB 0.728 29.298 28.738 -0.280 0.000 1.200 232 Q HN -0.025 nan 8.270 nan 0.000 0.396 233 D N 2.840 123.093 120.400 -0.246 0.000 2.368 233 D HA 0.130 4.769 4.640 -0.001 0.000 0.240 233 D C -0.645 175.459 176.300 -0.326 0.000 1.169 233 D CA 0.528 54.418 54.000 -0.184 0.000 0.906 233 D CB 0.391 41.175 40.800 -0.026 0.000 1.187 233 D HN 0.314 nan 8.370 nan 0.000 0.435 234 F N -0.267 119.631 119.950 -0.086 0.000 2.470 234 F HA 0.164 4.691 4.527 -0.001 0.000 0.329 234 F C 1.056 176.893 175.800 0.061 0.000 1.072 234 F CA -0.980 56.964 58.000 -0.094 0.000 0.989 234 F CB 0.972 39.829 39.000 -0.239 0.000 1.193 234 F HN 0.218 nan 8.300 nan 0.000 0.481 235 H N 1.000 120.260 119.070 0.316 0.000 2.767 235 H HA 0.047 4.602 4.556 -0.002 0.000 0.316 235 H C 1.018 176.490 175.328 0.240 0.000 1.059 235 H CA 0.387 56.572 56.048 0.229 0.000 1.461 235 H CB 1.680 31.563 29.762 0.202 0.000 1.475 235 H HN 0.761 nan 8.280 nan 0.000 0.531 236 S N 2.382 118.019 115.700 -0.105 0.000 2.515 236 S HA -0.025 4.444 4.470 -0.001 0.000 0.231 236 S C 1.812 176.482 174.600 0.117 0.000 0.987 236 S CA 0.576 58.788 58.200 0.020 0.000 0.936 236 S CB 0.039 63.201 63.200 -0.063 0.000 0.766 236 S HN 0.688 nan 8.310 nan 0.000 0.528 237 G N 1.942 110.925 108.800 0.305 0.000 2.471 237 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.211 237 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.211 237 G C 1.644 176.673 174.900 0.215 0.000 1.194 237 G CA 0.950 46.228 45.100 0.298 0.000 0.816 237 G HN 0.654 nan 8.290 nan 0.000 0.545 238 T N -1.803 112.912 114.554 0.269 0.000 2.915 238 T HA 0.057 4.406 4.350 -0.001 0.000 0.269 238 T C 1.613 176.233 174.700 -0.132 0.000 1.071 238 T CA 0.727 62.834 62.100 0.012 0.000 1.132 238 T CB -0.297 68.540 68.868 -0.052 0.000 0.878 238 T HN 0.096 nan 8.240 nan 0.000 0.479 239 F N 1.532 121.552 119.950 0.116 0.000 2.654 239 F HA 0.494 5.021 4.527 -0.001 0.000 0.303 239 F C 1.504 177.281 175.800 -0.038 0.000 1.099 239 F CA -1.199 56.818 58.000 0.029 0.000 1.270 239 F CB 0.376 39.390 39.000 0.024 0.000 1.024 239 F HN 0.228 nan 8.300 nan 0.000 0.548 240 G N -0.277 108.593 108.800 0.116 0.000 2.358 240 G HA2 0.413 4.372 3.960 -0.001 0.000 0.273 240 G HA3 0.413 4.372 3.960 -0.001 0.000 0.273 240 G C 0.961 175.864 174.900 0.006 0.000 1.215 240 G CA 0.450 45.580 45.100 0.050 0.000 0.910 240 G HN 0.549 nan 8.290 nan 0.000 0.467 241 G N 1.517 110.307 108.800 -0.017 0.000 2.211 241 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.201 241 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.201 241 G C 0.961 175.826 174.900 -0.059 0.000 0.997 241 G CA 0.445 45.523 45.100 -0.037 0.000 0.652 241 G HN 1.548 nan 8.290 nan 0.000 0.500 242 I N -1.718 118.818 120.570 -0.057 0.000 4.240 242 I HA 0.596 4.766 4.170 -0.001 0.000 0.331 242 I C 0.267 176.321 176.117 -0.105 0.000 1.381 242 I CA -0.385 60.874 61.300 -0.068 0.000 1.136 242 I CB 0.251 38.235 38.000 -0.027 0.000 1.137 242 I HN 0.011 nan 8.210 nan 0.000 0.411 243 L N 1.271 122.412 121.223 -0.136 0.000 2.331 243 L HA 0.458 4.797 4.340 -0.001 0.000 0.275 243 L C -0.512 176.241 176.870 -0.195 0.000 1.022 243 L CA -0.790 53.944 54.840 -0.177 0.000 0.812 243 L CB 1.173 43.054 42.059 -0.297 0.000 1.257 243 L HN 0.069 nan 8.230 nan 0.000 0.435 244 H N 1.370 120.403 119.070 -0.060 0.000 3.157 244 H HA 0.097 4.652 4.556 -0.001 0.000 0.260 244 H C -0.516 174.794 175.328 -0.031 0.000 1.232 244 H CA -0.098 55.929 56.048 -0.035 0.000 1.488 244 H CB -0.114 29.637 29.762 -0.018 0.000 1.548 244 H HN 0.413 nan 8.280 nan 0.000 0.487 245 E N 5.166 125.395 120.200 0.048 0.000 2.324 245 E HA -0.018 4.332 4.350 -0.001 0.000 0.271 245 E C -1.488 175.166 176.600 0.091 0.000 1.028 245 E CA -1.751 54.666 56.400 0.029 0.000 0.890 245 E CB 0.976 30.680 29.700 0.006 0.000 1.004 245 E HN 0.501 nan 8.360 nan 0.000 0.431 246 P HA -0.232 nan 4.420 nan 0.000 0.216 246 P C 1.275 178.641 177.300 0.111 0.000 1.153 246 P CA 1.290 64.465 63.100 0.126 0.000 0.858 246 P CB 0.163 31.937 31.700 0.124 0.000 0.789 247 M N -1.192 118.465 119.600 0.094 0.000 2.117 247 M HA -0.111 4.368 4.480 -0.001 0.000 0.262 247 M C 2.126 178.471 176.300 0.076 0.000 1.065 247 M CA 1.963 57.314 55.300 0.084 0.000 1.114 247 M CB -1.786 30.861 32.600 0.079 0.000 1.361 247 M HN -0.100 nan 8.290 nan 0.000 0.408 248 A N 0.414 123.276 122.820 0.070 0.000 1.883 248 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 248 A C 1.898 179.529 177.584 0.078 0.000 1.186 248 A CA 2.142 54.216 52.037 0.061 0.000 0.624 248 A CB -0.840 18.189 19.000 0.048 0.000 0.822 248 A HN 0.412 nan 8.150 nan 0.000 0.444 249 D N -0.536 119.932 120.400 0.113 0.000 2.092 249 D HA -0.146 4.493 4.640 -0.001 0.000 0.193 249 D C 1.874 178.263 176.300 0.149 0.000 0.994 249 D CA 1.506 55.605 54.000 0.166 0.000 0.828 249 D CB -0.490 40.481 40.800 0.286 0.000 0.963 249 D HN 0.333 nan 8.370 nan 0.000 0.450 250 L N 0.618 121.912 121.223 0.118 0.000 2.017 250 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 250 L C 2.280 179.188 176.870 0.064 0.000 1.073 250 L CA 1.295 56.187 54.840 0.088 0.000 0.745 250 L CB -0.547 41.561 42.059 0.082 0.000 0.894 250 L HN -0.119 nan 8.230 nan 0.000 0.432 251 V N 0.118 120.067 119.914 0.058 0.000 2.332 251 V HA -0.320 3.799 4.120 -0.001 0.000 0.248 251 V C 2.802 178.910 176.094 0.023 0.000 1.055 251 V CA 1.683 64.004 62.300 0.036 0.000 1.038 251 V CB -1.292 30.552 31.823 0.036 0.000 0.651 251 V HN 0.631 nan 8.190 nan 0.000 0.450 252 A N -0.311 122.530 122.820 0.035 0.000 1.902 252 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 252 A C 2.195 179.786 177.584 0.013 0.000 1.181 252 A CA 1.866 53.917 52.037 0.023 0.000 0.623 252 A CB -0.523 18.495 19.000 0.030 0.000 0.818 252 A HN 0.505 nan 8.150 nan 0.000 0.443 253 L N -0.657 120.585 121.223 0.032 0.000 1.994 253 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 253 L C 2.573 179.412 176.870 -0.052 0.000 1.071 253 L CA 1.300 56.144 54.840 0.007 0.000 0.745 253 L CB -0.601 41.484 42.059 0.044 0.000 0.892 253 L HN 0.356 nan 8.230 nan 0.000 0.431 254 L N -0.482 120.709 121.223 -0.054 0.000 2.083 254 L HA -0.120 4.220 4.340 -0.001 0.000 0.209 254 L C 2.505 179.296 176.870 -0.131 0.000 1.083 254 L CA 1.218 55.978 54.840 -0.133 0.000 0.752 254 L CB -1.034 40.984 42.059 -0.067 0.000 0.899 254 L HN 0.359 nan 8.230 nan 0.000 0.433 255 G N -0.851 107.910 108.800 -0.065 0.000 2.679 255 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.212 255 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.212 255 G C 1.532 176.410 174.900 -0.037 0.000 1.137 255 G CA 0.778 45.849 45.100 -0.048 0.000 0.787 255 G HN 0.493 nan 8.290 nan 0.000 0.534 256 S N -0.430 115.256 115.700 -0.024 0.000 2.605 256 S HA 0.274 4.743 4.470 -0.001 0.000 0.217 256 S C 1.866 176.501 174.600 0.059 0.000 0.958 256 S CA -0.242 57.987 58.200 0.049 0.000 0.919 256 S CB 0.013 63.261 63.200 0.080 0.000 0.780 256 S HN 0.251 nan 8.310 nan 0.000 0.507 257 L N 0.520 121.684 121.223 -0.098 0.000 2.202 257 L HA 0.417 4.756 4.340 -0.001 0.000 0.205 257 L C 0.639 177.383 176.870 -0.210 0.000 1.083 257 L CA 0.307 55.005 54.840 -0.236 0.000 0.790 257 L CB 0.418 42.209 42.059 -0.446 0.000 0.942 257 L HN 0.386 nan 8.230 nan 0.000 0.452 258 V N -0.252 119.581 119.914 -0.135 0.000 3.077 258 V HA 0.281 4.400 4.120 -0.001 0.000 0.299 258 V C -1.793 174.279 176.094 -0.037 0.000 1.276 258 V CA -0.964 61.281 62.300 -0.091 0.000 0.993 258 V CB 2.304 34.070 31.823 -0.094 0.000 1.076 258 V HN 0.296 nan 8.190 nan 0.000 0.434 259 D N 2.976 123.382 120.400 0.010 0.000 2.478 259 D HA 0.341 4.980 4.640 -0.001 0.000 0.263 259 D C 1.180 177.480 176.300 0.001 0.000 1.153 259 D CA 0.245 54.256 54.000 0.019 0.000 1.038 259 D CB 1.365 42.198 40.800 0.055 0.000 1.120 259 D HN 0.650 nan 8.370 nan 0.000 0.564 260 S N -1.881 113.811 115.700 -0.013 0.000 2.507 260 S HA -0.086 4.383 4.470 -0.001 0.000 0.235 260 S C 1.903 176.472 174.600 -0.052 0.000 0.988 260 S CA 0.989 59.169 58.200 -0.033 0.000 0.944 260 S CB -1.101 62.076 63.200 -0.038 0.000 0.762 260 S HN 0.697 nan 8.310 nan 0.000 0.526 261 S N 0.462 116.140 115.700 -0.037 0.000 2.558 261 S HA 0.538 5.007 4.470 -0.001 0.000 0.217 261 S C 1.561 176.129 174.600 -0.054 0.000 0.975 261 S CA 0.438 58.596 58.200 -0.069 0.000 0.912 261 S CB -0.526 62.642 63.200 -0.054 0.000 0.776 261 S HN 1.512 nan 8.310 nan 0.000 0.526 262 G N 0.163 108.964 108.800 0.002 0.000 2.175 262 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.244 262 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.244 262 G C 0.042 175.015 174.900 0.123 0.000 0.982 262 G CA 0.275 45.400 45.100 0.042 0.000 0.641 262 G HN 0.937 nan 8.290 nan 0.000 0.527 263 H N 1.010 120.101 119.070 0.035 0.000 2.899 263 H HA 0.551 5.106 4.556 -0.002 0.000 0.303 263 H C 0.962 176.359 175.328 0.114 0.000 1.042 263 H CA -0.353 55.744 56.048 0.081 0.000 1.479 263 H CB 0.066 29.831 29.762 0.004 0.000 1.493 263 H HN 0.309 nan 8.280 nan 0.000 0.534 264 I N 6.888 127.334 120.570 -0.206 0.000 2.556 264 I HA -0.078 4.091 4.170 -0.001 0.000 0.284 264 I C 0.794 176.686 176.117 -0.375 0.000 1.114 264 I CA 0.207 61.361 61.300 -0.244 0.000 1.418 264 I CB 0.825 38.681 38.000 -0.240 0.000 1.394 264 I HN 0.688 nan 8.210 nan 0.000 0.552 265 L N 6.737 127.791 121.223 -0.282 0.000 2.607 265 L HA 0.155 4.494 4.340 -0.001 0.000 0.228 265 L C 0.170 176.829 176.870 -0.353 0.000 1.123 265 L CA -0.074 54.638 54.840 -0.214 0.000 0.890 265 L CB 0.154 42.158 42.059 -0.093 0.000 1.103 265 L HN 0.367 nan 8.230 nan 0.000 0.468 266 V N 2.233 121.850 119.914 -0.496 0.000 2.450 266 V HA 0.061 4.180 4.120 -0.001 0.000 0.281 266 V C -1.923 174.026 176.094 -0.241 0.000 1.019 266 V CA -1.157 60.816 62.300 -0.544 0.000 1.062 266 V CB -0.108 31.456 31.823 -0.432 0.000 0.979 266 V HN 0.050 nan 8.190 nan 0.000 0.477 267 P HA 0.240 nan 4.420 nan 0.000 0.263 267 P C 0.990 178.285 177.300 -0.008 0.000 1.195 267 P CA 1.273 64.365 63.100 -0.012 0.000 0.762 267 P CB 0.618 32.341 31.700 0.038 0.000 0.799 268 G N 3.154 111.968 108.800 0.023 0.000 2.213 268 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.236 268 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.236 268 G C 0.892 175.780 174.900 -0.020 0.000 0.991 268 G CA 0.155 45.269 45.100 0.023 0.000 0.629 268 G HN 0.510 nan 8.290 nan 0.000 0.517 269 I N 0.181 120.680 120.570 -0.118 0.000 2.454 269 I HA 0.065 4.234 4.170 -0.001 0.000 0.254 269 I C 2.072 177.982 176.117 -0.345 0.000 1.156 269 I CA 1.529 62.663 61.300 -0.276 0.000 1.433 269 I CB -0.130 37.607 38.000 -0.439 0.000 1.082 269 I HN 0.362 nan 8.210 nan 0.000 0.432 270 Y N -0.452 119.862 120.300 0.023 0.000 2.482 270 Y HA 0.045 4.594 4.550 -0.002 0.000 0.270 270 Y C 1.955 177.892 175.900 0.062 0.000 1.152 270 Y CA -0.063 58.070 58.100 0.056 0.000 1.292 270 Y CB -0.487 38.018 38.460 0.075 0.000 1.070 270 Y HN 0.132 nan 8.280 nan 0.000 0.528 271 D N 0.605 121.097 120.400 0.154 0.000 2.149 271 D HA -0.164 4.476 4.640 -0.001 0.000 0.198 271 D C 1.123 177.490 176.300 0.111 0.000 0.990 271 D CA 1.477 55.550 54.000 0.122 0.000 0.839 271 D CB 0.015 40.867 40.800 0.087 0.000 0.948 271 D HN 0.467 nan 8.370 nan 0.000 0.460 272 E N -0.109 120.152 120.200 0.103 0.000 2.548 272 E HA 0.113 4.462 4.350 -0.001 0.000 0.206 272 E C -0.337 176.325 176.600 0.104 0.000 1.005 272 E CA -0.148 56.317 56.400 0.107 0.000 0.951 272 E CB 1.404 31.168 29.700 0.107 0.000 1.035 272 E HN -0.037 nan 8.360 nan 0.000 0.470 273 V N 2.393 122.370 119.914 0.105 0.000 2.540 273 V HA -0.059 4.060 4.120 -0.001 0.000 0.297 273 V C 0.795 176.901 176.094 0.020 0.000 1.024 273 V CA 0.007 62.353 62.300 0.076 0.000 1.105 273 V CB 0.838 32.767 31.823 0.177 0.000 0.938 273 V HN -0.022 nan 8.190 nan 0.000 0.482 274 V N 9.215 129.071 119.914 -0.097 0.000 2.584 274 V HA 0.023 4.142 4.120 -0.001 0.000 0.303 274 V C -1.332 174.722 176.094 -0.067 0.000 1.035 274 V CA -0.751 61.466 62.300 -0.139 0.000 1.172 274 V CB 0.169 31.812 31.823 -0.300 0.000 0.896 274 V HN 0.846 nan 8.190 nan 0.000 0.486 275 P HA 0.180 nan 4.420 nan 0.000 0.271 275 P C -0.473 176.813 177.300 -0.023 0.000 1.218 275 P CA -0.604 62.498 63.100 0.002 0.000 0.780 275 P CB 0.769 32.482 31.700 0.022 0.000 0.901 276 L N 2.961 124.177 121.223 -0.012 0.000 2.416 276 L HA 0.353 4.692 4.340 -0.001 0.000 0.272 276 L C 0.323 177.197 176.870 0.006 0.000 1.161 276 L CA 0.795 55.626 54.840 -0.014 0.000 0.845 276 L CB 0.226 42.289 42.059 0.006 0.000 1.119 276 L HN 0.617 nan 8.230 nan 0.000 0.464 277 T N 0.138 114.695 114.554 0.005 0.000 2.930 277 T HA 0.623 4.972 4.350 -0.001 0.000 0.290 277 T C 0.907 175.610 174.700 0.005 0.000 1.052 277 T CA -0.129 61.972 62.100 0.002 0.000 1.017 277 T CB 1.324 70.187 68.868 -0.008 0.000 1.137 277 T HN 0.618 nan 8.240 nan 0.000 0.511 278 E N 0.493 120.693 120.200 0.000 0.000 2.058 278 E HA -0.197 4.152 4.350 -0.001 0.000 0.194 278 E C 1.803 178.392 176.600 -0.019 0.000 0.997 278 E CA 2.155 58.553 56.400 -0.003 0.000 0.801 278 E CB -1.181 28.516 29.700 -0.005 0.000 0.746 278 E HN 0.970 nan 8.360 nan 0.000 0.450 279 E N -0.075 120.108 120.200 -0.028 0.000 2.086 279 E HA -0.316 4.033 4.350 -0.001 0.000 0.205 279 E C 2.297 178.851 176.600 -0.078 0.000 1.027 279 E CA 1.973 58.343 56.400 -0.049 0.000 0.830 279 E CB -0.158 29.515 29.700 -0.046 0.000 0.751 279 E HN 0.693 nan 8.360 nan 0.000 0.456 280 E N 0.065 120.226 120.200 -0.065 0.000 2.047 280 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 280 E C 2.269 178.786 176.600 -0.140 0.000 0.987 280 E CA 1.070 57.408 56.400 -0.104 0.000 0.799 280 E CB -0.166 29.528 29.700 -0.011 0.000 0.752 280 E HN 0.412 nan 8.360 nan 0.000 0.449 281 I N 1.213 121.794 120.570 0.017 0.000 2.394 281 I HA -0.249 3.920 4.170 -0.001 0.000 0.251 281 I C 1.522 177.652 176.117 0.021 0.000 1.136 281 I CA 0.760 62.133 61.300 0.121 0.000 1.425 281 I CB -0.129 37.937 38.000 0.111 0.000 1.079 281 I HN 0.152 nan 8.210 nan 0.000 0.425 282 N N 0.595 119.270 118.700 -0.042 0.000 2.192 282 N HA -0.208 4.532 4.740 -0.001 0.000 0.188 282 N C 1.832 177.279 175.510 -0.105 0.000 1.013 282 N CA 2.066 55.080 53.050 -0.060 0.000 0.863 282 N CB -0.651 37.800 38.487 -0.060 0.000 0.990 282 N HN 0.511 nan 8.380 nan 0.000 0.430 283 T N -2.600 111.825 114.554 -0.215 0.000 2.995 283 T HA -0.072 4.278 4.350 -0.001 0.000 0.269 283 T C 1.573 176.135 174.700 -0.230 0.000 1.091 283 T CA 0.772 62.709 62.100 -0.273 0.000 1.128 283 T CB -0.384 68.256 68.868 -0.380 0.000 0.891 283 T HN 0.179 nan 8.240 nan 0.000 0.492 284 Y N 1.612 121.927 120.300 0.026 0.000 2.490 284 Y HA 0.371 4.920 4.550 -0.001 0.000 0.285 284 Y C 2.958 178.825 175.900 -0.056 0.000 1.117 284 Y CA 0.270 58.369 58.100 -0.002 0.000 1.262 284 Y CB -0.757 37.669 38.460 -0.058 0.000 1.043 284 Y HN 0.365 nan 8.280 nan 0.000 0.553 285 K N 0.736 121.172 120.400 0.060 0.000 2.217 285 K HA 0.243 4.562 4.320 -0.001 0.000 0.202 285 K C 2.072 178.644 176.600 -0.046 0.000 1.051 285 K CA 1.157 57.446 56.287 0.004 0.000 0.952 285 K CB -1.135 31.364 32.500 -0.001 0.000 0.736 285 K HN 0.397 nan 8.250 nan 0.000 0.453 286 A N 0.057 122.835 122.820 -0.070 0.000 2.218 286 A HA 0.354 4.673 4.320 -0.001 0.000 0.209 286 A C 0.939 178.366 177.584 -0.261 0.000 1.168 286 A CA -0.183 51.770 52.037 -0.141 0.000 0.804 286 A CB -0.158 18.775 19.000 -0.111 0.000 0.834 286 A HN 0.491 nan 8.150 nan 0.000 0.482 287 I N 1.708 122.191 120.570 -0.144 0.000 2.496 287 I HA 0.056 4.225 4.170 -0.001 0.000 0.285 287 I C -0.107 175.905 176.117 -0.176 0.000 1.080 287 I CA -0.373 60.856 61.300 -0.118 0.000 1.404 287 I CB 0.533 38.590 38.000 0.094 0.000 1.403 287 I HN 0.272 nan 8.210 nan 0.000 0.539 288 H N 7.619 126.717 119.070 0.046 0.000 3.067 288 H HA 0.293 4.848 4.556 -0.001 0.000 0.265 288 H C -0.721 174.626 175.328 0.031 0.000 1.234 288 H CA -0.367 55.699 56.048 0.030 0.000 1.452 288 H CB 0.545 30.319 29.762 0.020 0.000 1.527 288 H HN 0.232 nan 8.280 nan 0.000 0.486 289 L N 4.160 125.441 121.223 0.097 0.000 2.555 289 L HA 0.203 4.542 4.340 -0.001 0.000 0.264 289 L C -0.768 176.135 176.870 0.055 0.000 0.972 289 L CA -0.563 54.310 54.840 0.057 0.000 0.876 289 L CB 1.643 43.675 42.059 -0.044 0.000 1.216 289 L HN 0.372 nan 8.230 nan 0.000 0.415 290 D N 3.505 123.959 120.400 0.089 0.000 2.343 290 D HA 0.051 4.690 4.640 -0.001 0.000 0.255 290 D C 0.810 177.184 176.300 0.123 0.000 1.187 290 D CA -0.110 53.944 54.000 0.090 0.000 0.875 290 D CB 1.536 42.389 40.800 0.089 0.000 1.136 290 D HN 0.645 nan 8.370 nan 0.000 0.469 291 L N 4.835 126.125 121.223 0.113 0.000 2.240 291 L HA -0.016 4.323 4.340 -0.001 0.000 0.211 291 L C 2.356 179.358 176.870 0.220 0.000 1.106 291 L CA 2.109 57.054 54.840 0.174 0.000 0.793 291 L CB -0.611 41.526 42.059 0.131 0.000 0.927 291 L HN 0.633 nan 8.230 nan 0.000 0.446 292 E N -0.532 119.754 120.200 0.144 0.000 2.152 292 E HA -0.214 4.135 4.350 -0.001 0.000 0.192 292 E C 1.950 178.618 176.600 0.114 0.000 0.983 292 E CA 1.382 57.849 56.400 0.113 0.000 0.818 292 E CB -0.646 29.097 29.700 0.070 0.000 0.758 292 E HN 0.720 nan 8.360 nan 0.000 0.467 293 E N -1.201 119.076 120.200 0.128 0.000 2.047 293 E HA -0.105 4.244 4.350 -0.001 0.000 0.191 293 E C 2.055 178.751 176.600 0.161 0.000 0.987 293 E CA 1.164 57.636 56.400 0.120 0.000 0.799 293 E CB -0.278 29.491 29.700 0.115 0.000 0.752 293 E HN 0.683 nan 8.360 nan 0.000 0.449 294 Y N 2.291 122.653 120.300 0.103 0.000 2.181 294 Y HA -0.213 4.336 4.550 -0.002 0.000 0.288 294 Y C 2.344 178.373 175.900 0.216 0.000 1.146 294 Y CA 1.945 60.128 58.100 0.138 0.000 1.164 294 Y CB 0.056 38.586 38.460 0.117 0.000 0.982 294 Y HN -0.099 nan 8.280 nan 0.000 0.515 295 R N 0.066 120.705 120.500 0.232 0.000 2.200 295 R HA -0.103 4.236 4.340 -0.001 0.000 0.208 295 R C 1.725 177.999 176.300 -0.044 0.000 1.033 295 R CA 1.278 57.431 56.100 0.089 0.000 1.000 295 R CB -0.867 29.471 30.300 0.063 0.000 0.906 295 R HN 0.340 nan 8.270 nan 0.000 0.462 296 N N 1.002 119.700 118.700 -0.003 0.000 2.216 296 N HA -0.069 4.670 4.740 -0.001 0.000 0.183 296 N C 1.149 176.635 175.510 -0.039 0.000 1.017 296 N CA 1.251 54.287 53.050 -0.023 0.000 0.861 296 N CB 0.060 38.548 38.487 0.002 0.000 0.986 296 N HN 0.198 nan 8.380 nan 0.000 0.428 297 S N -0.048 115.626 115.700 -0.044 0.000 2.368 297 S HA -0.036 4.434 4.470 -0.001 0.000 0.225 297 S C 1.823 176.363 174.600 -0.101 0.000 1.030 297 S CA 1.308 59.470 58.200 -0.064 0.000 0.999 297 S CB -0.082 63.081 63.200 -0.061 0.000 0.844 297 S HN 0.413 nan 8.310 nan 0.000 0.459 298 S N 0.316 115.925 115.700 -0.151 0.000 2.524 298 S HA 0.191 4.660 4.470 -0.001 0.000 0.216 298 S C 0.434 174.977 174.600 -0.096 0.000 0.987 298 S CA -0.209 57.917 58.200 -0.123 0.000 0.909 298 S CB 0.034 63.171 63.200 -0.105 0.000 0.781 298 S HN 0.451 nan 8.310 nan 0.000 0.521 299 R N 0.202 120.640 120.500 -0.102 0.000 3.525 299 R HA -0.125 4.215 4.340 -0.001 0.000 0.276 299 R C -1.030 175.188 176.300 -0.137 0.000 1.116 299 R CA 0.128 56.168 56.100 -0.099 0.000 0.745 299 R CB -2.483 27.774 30.300 -0.072 0.000 1.185 299 R HN 0.224 nan 8.270 nan 0.000 0.454 300 V N 0.395 120.177 119.914 -0.219 0.000 2.435 300 V HA 0.283 4.402 4.120 -0.001 0.000 0.290 300 V C 1.800 177.684 176.094 -0.351 0.000 1.030 300 V CA 0.798 62.900 62.300 -0.329 0.000 0.881 300 V CB 1.508 32.998 31.823 -0.556 0.000 0.983 300 V HN 0.469 nan 8.190 nan 0.000 0.445 301 E N 4.232 124.275 120.200 -0.262 0.000 2.012 301 E HA 0.008 4.357 4.350 -0.001 0.000 0.197 301 E C 0.993 177.443 176.600 -0.250 0.000 1.007 301 E CA 1.892 58.170 56.400 -0.204 0.000 0.816 301 E CB -0.168 29.447 29.700 -0.141 0.000 0.762 301 E HN 0.938 nan 8.360 nan 0.000 0.451 302 K N -0.517 119.705 120.400 -0.296 0.000 2.501 302 K HA 0.660 4.980 4.320 -0.001 0.000 0.252 302 K C -0.786 175.621 176.600 -0.322 0.000 0.934 302 K CA -0.618 55.512 56.287 -0.261 0.000 0.797 302 K CB 1.142 33.563 32.500 -0.131 0.000 1.270 302 K HN 0.231 nan 8.250 nan 0.000 0.431 303 F N 0.806 120.745 119.950 -0.017 0.000 2.362 303 F HA 0.419 4.945 4.527 -0.002 0.000 0.311 303 F C 2.044 177.756 175.800 -0.146 0.000 1.161 303 F CA -0.846 57.136 58.000 -0.030 0.000 1.085 303 F CB 0.752 39.790 39.000 0.063 0.000 1.311 303 F HN 0.483 nan 8.300 nan 0.000 0.524 304 L N -0.296 120.894 121.223 -0.056 0.000 2.191 304 L HA -0.103 4.236 4.340 -0.001 0.000 0.212 304 L C -0.323 176.037 176.870 -0.850 0.000 1.103 304 L CA 1.150 55.654 54.840 -0.560 0.000 0.769 304 L CB -0.357 41.163 42.059 -0.898 0.000 0.908 304 L HN 0.270 nan 8.230 nan 0.000 0.438 305 F N -0.908 119.054 119.950 0.019 0.000 2.579 305 F HA 0.229 4.755 4.527 -0.001 0.000 0.324 305 F C 0.701 176.534 175.800 0.054 0.000 1.058 305 F CA -1.327 56.663 58.000 -0.018 0.000 0.944 305 F CB 0.922 39.866 39.000 -0.093 0.000 1.245 305 F HN -0.105 nan 8.300 nan 0.000 0.477 306 D N -1.352 119.172 120.400 0.206 0.000 2.431 306 D HA 0.090 4.729 4.640 -0.001 0.000 0.213 306 D C 0.121 176.488 176.300 0.112 0.000 1.130 306 D CA 0.180 54.263 54.000 0.139 0.000 0.834 306 D CB 0.463 41.312 40.800 0.082 0.000 0.985 306 D HN 0.389 nan 8.370 nan 0.000 0.504 307 T N -0.143 114.474 114.554 0.104 0.000 2.893 307 T HA 0.214 4.563 4.350 -0.001 0.000 0.291 307 T C 0.643 175.330 174.700 -0.021 0.000 1.028 307 T CA -0.681 61.443 62.100 0.039 0.000 0.995 307 T CB 2.367 71.251 68.868 0.026 0.000 1.051 307 T HN -0.099 nan 8.240 nan 0.000 0.470 308 K N 1.886 122.255 120.400 -0.052 0.000 2.103 308 K HA -0.146 4.173 4.320 -0.001 0.000 0.207 308 K C 1.331 177.806 176.600 -0.208 0.000 1.048 308 K CA 2.012 58.219 56.287 -0.133 0.000 0.930 308 K CB 0.060 32.504 32.500 -0.093 0.000 0.716 308 K HN 0.590 nan 8.250 nan 0.000 0.444 309 E N 0.532 120.644 120.200 -0.147 0.000 2.072 309 E HA -0.117 4.232 4.350 -0.001 0.000 0.190 309 E C 1.985 178.422 176.600 -0.272 0.000 0.982 309 E CA 1.062 57.358 56.400 -0.175 0.000 0.803 309 E CB 0.067 29.730 29.700 -0.061 0.000 0.755 309 E HN 0.286 nan 8.360 nan 0.000 0.453 310 E N 0.341 120.415 120.200 -0.210 0.000 2.106 310 E HA -0.119 4.230 4.350 -0.001 0.000 0.192 310 E C 2.081 178.462 176.600 -0.365 0.000 0.984 310 E CA 0.532 56.760 56.400 -0.287 0.000 0.806 310 E CB -0.057 29.461 29.700 -0.304 0.000 0.750 310 E HN 0.249 nan 8.360 nan 0.000 0.458 311 I N 1.193 121.592 120.570 -0.285 0.000 2.113 311 I HA -0.260 3.909 4.170 -0.001 0.000 0.238 311 I C 2.595 178.419 176.117 -0.488 0.000 1.070 311 I CA 1.108 62.228 61.300 -0.301 0.000 1.332 311 I CB -1.109 36.681 38.000 -0.350 0.000 1.044 311 I HN 0.108 nan 8.210 nan 0.000 0.402 312 L N -0.462 120.346 121.223 -0.692 0.000 2.046 312 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 312 L C 2.736 178.899 176.870 -1.180 0.000 1.077 312 L CA 1.302 55.428 54.840 -1.189 0.000 0.747 312 L CB -0.443 40.830 42.059 -1.311 0.000 0.896 312 L HN 0.227 nan 8.230 nan 0.000 0.432 313 M N -1.200 117.879 119.600 -0.868 0.000 2.159 313 M HA -0.219 4.260 4.480 -0.001 0.000 0.263 313 M C 2.134 178.193 176.300 -0.402 0.000 1.063 313 M CA 1.711 56.575 55.300 -0.727 0.000 1.110 313 M CB -0.520 31.720 32.600 -0.601 0.000 1.374 313 M HN 0.269 nan 8.290 nan 0.000 0.411 314 H N -0.280 118.635 119.070 -0.258 0.000 2.524 314 H HA 0.056 4.611 4.556 -0.001 0.000 0.282 314 H C 1.849 177.162 175.328 -0.024 0.000 1.016 314 H CA 0.949 56.963 56.048 -0.057 0.000 1.270 314 H CB 0.073 29.719 29.762 -0.195 0.000 1.394 314 H HN 0.280 nan 8.280 nan 0.000 0.568 315 L N -1.338 119.836 121.223 -0.080 0.000 2.209 315 L HA -0.092 4.247 4.340 -0.001 0.000 0.207 315 L C 1.354 178.361 176.870 0.228 0.000 1.094 315 L CA 0.479 55.330 54.840 0.018 0.000 0.790 315 L CB 0.007 41.992 42.059 -0.124 0.000 0.932 315 L HN 0.419 nan 8.230 nan 0.000 0.447 316 W N 0.308 121.524 121.300 -0.140 0.000 2.777 316 W HA 0.097 4.756 4.660 -0.002 0.000 0.260 316 W C 2.178 178.590 176.519 -0.178 0.000 1.194 316 W CA 0.008 57.257 57.345 -0.161 0.000 1.447 316 W CB -0.069 29.266 29.460 -0.208 0.000 1.009 316 W HN 0.165 nan 8.180 nan 0.000 0.613 317 R N -2.332 118.139 120.500 -0.048 0.000 2.541 317 R HA 0.205 4.544 4.340 -0.001 0.000 0.332 317 R C -0.771 175.305 176.300 -0.375 0.000 0.951 317 R CA 0.142 56.114 56.100 -0.213 0.000 1.136 317 R CB -0.968 29.173 30.300 -0.266 0.000 1.449 317 R HN -0.165 nan 8.270 nan 0.000 0.531 318 Y N 1.694 121.935 120.300 -0.097 0.000 2.468 318 Y HA 0.606 5.155 4.550 -0.001 0.000 0.342 318 Y C -2.276 173.649 175.900 0.042 0.000 1.021 318 Y CA -3.109 54.960 58.100 -0.052 0.000 1.079 318 Y CB 1.690 40.029 38.460 -0.202 0.000 1.226 318 Y HN -0.067 nan 8.280 nan 0.000 0.460 319 P HA 0.228 nan 4.420 nan 0.000 0.274 319 P C -0.889 176.511 177.300 0.168 0.000 1.237 319 P CA -0.334 62.849 63.100 0.138 0.000 0.793 319 P CB 1.424 33.134 31.700 0.016 0.000 0.977 320 S N 0.968 116.744 115.700 0.127 0.000 2.595 320 S HA 0.706 5.176 4.470 -0.001 0.000 0.281 320 S C -1.097 173.553 174.600 0.084 0.000 1.117 320 S CA -0.896 57.381 58.200 0.127 0.000 0.873 320 S CB 1.395 64.687 63.200 0.153 0.000 1.108 320 S HN 0.445 nan 8.310 nan 0.000 0.477 321 L N 1.498 122.755 121.223 0.056 0.000 2.381 321 L HA 0.744 5.083 4.340 -0.001 0.000 0.274 321 L C -1.134 175.735 176.870 -0.001 0.000 0.988 321 L CA -0.122 54.735 54.840 0.029 0.000 0.824 321 L CB 2.067 44.104 42.059 -0.037 0.000 1.263 321 L HN 0.903 nan 8.230 nan 0.000 0.410 322 S N 5.063 120.742 115.700 -0.036 0.000 2.521 322 S HA 0.605 5.074 4.470 -0.001 0.000 0.295 322 S C -0.536 173.855 174.600 -0.348 0.000 1.098 322 S CA -0.481 57.642 58.200 -0.130 0.000 0.999 322 S CB 1.711 64.884 63.200 -0.046 0.000 1.034 322 S HN 0.445 nan 8.310 nan 0.000 0.483 323 I N 3.684 124.113 120.570 -0.234 0.000 2.342 323 I HA 0.274 4.443 4.170 -0.001 0.000 0.291 323 I C 0.956 176.978 176.117 -0.158 0.000 1.010 323 I CA -0.398 60.785 61.300 -0.195 0.000 1.308 323 I CB 0.699 38.649 38.000 -0.083 0.000 1.400 323 I HN 0.753 nan 8.210 nan 0.000 0.488 324 H N 4.581 123.707 119.070 0.094 0.000 2.476 324 H HA 0.395 4.950 4.556 -0.001 0.000 0.292 324 H C 0.962 176.350 175.328 0.099 0.000 1.019 324 H CA 0.598 56.707 56.048 0.101 0.000 1.330 324 H CB 0.842 30.684 29.762 0.133 0.000 1.451 324 H HN 0.754 nan 8.280 nan 0.000 0.535 325 G N -0.056 108.868 108.800 0.207 0.000 2.320 325 G HA2 0.346 4.305 3.960 -0.001 0.000 0.297 325 G HA3 0.346 4.305 3.960 -0.001 0.000 0.297 325 G C -1.716 173.265 174.900 0.134 0.000 1.344 325 G CA -0.826 44.361 45.100 0.145 0.000 0.851 325 G HN 0.046 nan 8.290 nan 0.000 0.567 326 I N 0.552 121.183 120.570 0.102 0.000 2.465 326 I HA 0.426 4.596 4.170 -0.001 0.000 0.291 326 I C -0.135 176.033 176.117 0.085 0.000 1.014 326 I CA -0.641 60.717 61.300 0.096 0.000 1.093 326 I CB 2.250 40.298 38.000 0.081 0.000 1.267 326 I HN 0.573 nan 8.210 nan 0.000 0.431 327 E N 4.127 124.380 120.200 0.089 0.000 2.216 327 E HA 0.489 4.838 4.350 -0.001 0.000 0.279 327 E C 0.654 177.297 176.600 0.071 0.000 0.997 327 E CA 0.126 56.571 56.400 0.075 0.000 0.817 327 E CB 1.305 31.050 29.700 0.074 0.000 1.096 327 E HN 0.891 nan 8.360 nan 0.000 0.393 328 G N 2.366 111.207 108.800 0.069 0.000 2.179 328 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.220 328 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.220 328 G C 0.150 175.103 174.900 0.088 0.000 0.990 328 G CA 0.028 45.170 45.100 0.071 0.000 0.646 328 G HN 0.788 nan 8.290 nan 0.000 0.517 329 A N -0.395 122.482 122.820 0.095 0.000 2.420 329 A HA 0.831 5.150 4.320 -0.001 0.000 0.291 329 A C -0.276 177.410 177.584 0.170 0.000 1.228 329 A CA -0.458 51.654 52.037 0.125 0.000 0.933 329 A CB 0.624 19.687 19.000 0.106 0.000 1.428 329 A HN 1.280 nan 8.150 nan 0.000 0.493 330 F N 1.571 121.544 119.950 0.039 0.000 2.404 330 F HA 0.400 4.926 4.527 -0.001 0.000 0.359 330 F C -0.167 175.655 175.800 0.037 0.000 1.134 330 F CA -1.147 56.873 58.000 0.034 0.000 1.160 330 F CB 0.538 39.554 39.000 0.026 0.000 1.186 330 F HN 0.511 nan 8.300 nan 0.000 0.526 331 D N 1.669 121.798 120.400 -0.452 0.000 2.513 331 D HA 0.126 4.765 4.640 -0.001 0.000 0.222 331 D C -0.085 175.953 176.300 -0.436 0.000 1.210 331 D CA -0.139 53.627 54.000 -0.389 0.000 0.825 331 D CB -0.130 40.592 40.800 -0.130 0.000 1.037 331 D HN 0.461 nan 8.370 nan 0.000 0.506 332 E N 0.715 120.513 120.200 -0.670 0.000 2.254 332 E HA 0.458 4.807 4.350 -0.001 0.000 0.261 332 E C -2.282 174.121 176.600 -0.328 0.000 1.051 332 E CA -2.116 54.097 56.400 -0.312 0.000 0.902 332 E CB 0.685 30.385 29.700 -0.000 0.000 1.168 332 E HN -0.025 nan 8.360 nan 0.000 0.423 333 P HA 0.133 nan 4.420 nan 0.000 0.267 333 P C -0.073 177.329 177.300 0.169 0.000 1.200 333 P CA 0.605 63.718 63.100 0.022 0.000 0.772 333 P CB 0.488 32.215 31.700 0.044 0.000 0.855 334 G N 1.038 109.942 108.800 0.174 0.000 2.512 334 G HA2 0.030 3.989 3.960 -0.001 0.000 0.210 334 G HA3 0.030 3.989 3.960 -0.001 0.000 0.210 334 G C -0.701 174.399 174.900 0.333 0.000 1.295 334 G CA -0.206 45.027 45.100 0.222 0.000 0.934 334 G HN 0.848 nan 8.290 nan 0.000 0.554 335 T N -1.921 112.749 114.554 0.192 0.000 2.863 335 T HA 0.769 5.118 4.350 -0.001 0.000 0.285 335 T C -0.579 173.970 174.700 -0.252 0.000 1.009 335 T CA -0.151 61.987 62.100 0.063 0.000 0.989 335 T CB 2.413 71.299 68.868 0.029 0.000 1.004 335 T HN 0.956 nan 8.240 nan 0.000 0.455 336 K N 1.989 122.045 120.400 -0.574 0.000 2.565 336 K HA 0.397 4.716 4.320 -0.001 0.000 0.251 336 K C -0.855 175.468 176.600 -0.461 0.000 0.956 336 K CA -0.596 55.246 56.287 -0.742 0.000 0.809 336 K CB 1.819 33.386 32.500 -1.556 0.000 1.267 336 K HN 0.885 nan 8.250 nan 0.000 0.438 337 T N 0.401 114.763 114.554 -0.320 0.000 3.471 337 T HA 0.252 4.601 4.350 -0.001 0.000 0.355 337 T C -0.284 174.236 174.700 -0.300 0.000 1.775 337 T CA -0.602 61.339 62.100 -0.266 0.000 1.305 337 T CB 0.225 68.937 68.868 -0.259 0.000 1.171 337 T HN 0.184 nan 8.240 nan 0.000 0.776 338 V N 3.334 123.139 119.914 -0.182 0.000 2.555 338 V HA 0.602 4.721 4.120 -0.001 0.000 0.302 338 V C -0.626 175.477 176.094 0.015 0.000 1.038 338 V CA -1.485 60.766 62.300 -0.081 0.000 0.887 338 V CB 1.392 33.181 31.823 -0.056 0.000 0.991 338 V HN 0.776 nan 8.190 nan 0.000 0.434 339 I N 8.581 129.204 120.570 0.088 0.000 2.287 339 I HA 0.345 4.514 4.170 -0.001 0.000 0.290 339 I C -2.239 174.001 176.117 0.204 0.000 1.069 339 I CA -1.916 59.465 61.300 0.136 0.000 1.237 339 I CB 1.312 39.379 38.000 0.111 0.000 1.418 339 I HN 0.480 nan 8.210 nan 0.000 0.481 340 P HA -0.029 nan 4.420 nan 0.000 0.262 340 P C 0.988 178.397 177.300 0.181 0.000 1.182 340 P CA 0.326 63.509 63.100 0.138 0.000 0.761 340 P CB 0.891 32.662 31.700 0.119 0.000 0.795 341 G N 3.686 112.568 108.800 0.137 0.000 2.396 341 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.214 341 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.214 341 G C 0.404 175.374 174.900 0.116 0.000 1.166 341 G CA 0.375 45.563 45.100 0.146 0.000 0.793 341 G HN 0.475 nan 8.290 nan 0.000 0.533 342 R N -0.159 120.387 120.500 0.077 0.000 2.514 342 R HA 0.488 4.827 4.340 -0.001 0.000 0.296 342 R C -1.336 175.004 176.300 0.067 0.000 1.012 342 R CA -0.498 55.641 56.100 0.065 0.000 0.897 342 R CB 2.053 32.377 30.300 0.041 0.000 1.184 342 R HN 0.106 nan 8.270 nan 0.000 0.440 343 V N 1.794 121.750 119.914 0.070 0.000 2.914 343 V HA 0.717 4.837 4.120 -0.001 0.000 0.314 343 V C -0.479 175.655 176.094 0.066 0.000 1.084 343 V CA -0.941 61.402 62.300 0.072 0.000 0.963 343 V CB 2.171 34.043 31.823 0.082 0.000 1.025 343 V HN 0.700 nan 8.190 nan 0.000 0.432 344 I N 2.481 123.096 120.570 0.075 0.000 2.468 344 I HA 0.657 4.826 4.170 -0.001 0.000 0.285 344 I C 0.649 176.833 176.117 0.111 0.000 1.039 344 I CA -0.471 60.880 61.300 0.084 0.000 1.074 344 I CB 1.783 39.828 38.000 0.076 0.000 1.228 344 I HN 0.920 nan 8.210 nan 0.000 0.436 345 G N 5.520 114.398 108.800 0.129 0.000 2.420 345 G HA2 0.552 4.512 3.960 -0.001 0.000 0.284 345 G HA3 0.552 4.512 3.960 -0.001 0.000 0.284 345 G C -0.558 174.471 174.900 0.215 0.000 1.177 345 G CA -0.480 44.720 45.100 0.166 0.000 0.841 345 G HN 0.377 nan 8.290 nan 0.000 0.527 346 K N 1.183 121.724 120.400 0.233 0.000 2.376 346 K HA 0.503 4.822 4.320 -0.001 0.000 0.257 346 K C -1.086 175.618 176.600 0.174 0.000 0.939 346 K CA -0.508 55.925 56.287 0.243 0.000 0.809 346 K CB 2.041 34.765 32.500 0.374 0.000 1.121 346 K HN 0.589 nan 8.250 nan 0.000 0.425 347 F N -1.321 118.537 119.950 -0.154 0.000 2.686 347 F HA 0.701 5.227 4.527 -0.002 0.000 0.311 347 F C -0.872 174.686 175.800 -0.403 0.000 1.128 347 F CA -0.943 56.823 58.000 -0.391 0.000 0.946 347 F CB 1.574 40.427 39.000 -0.245 0.000 1.336 347 F HN 0.400 nan 8.300 nan 0.000 0.457 348 S N 0.957 116.561 115.700 -0.161 0.000 2.556 348 S HA 0.805 5.274 4.470 -0.001 0.000 0.271 348 S C -1.491 173.217 174.600 0.179 0.000 1.135 348 S CA -0.855 57.333 58.200 -0.021 0.000 0.858 348 S CB 1.763 64.940 63.200 -0.038 0.000 1.114 348 S HN 0.811 nan 8.310 nan 0.000 0.468 349 I N 2.130 122.829 120.570 0.215 0.000 2.355 349 I HA 0.412 4.581 4.170 -0.001 0.000 0.288 349 I C 0.029 176.225 176.117 0.131 0.000 0.999 349 I CA -0.888 60.514 61.300 0.169 0.000 1.163 349 I CB 1.282 39.386 38.000 0.174 0.000 1.316 349 I HN 0.439 nan 8.210 nan 0.000 0.454 350 R N 6.639 127.210 120.500 0.118 0.000 2.442 350 R HA 0.427 4.766 4.340 -0.001 0.000 0.291 350 R C -0.560 175.792 176.300 0.086 0.000 1.069 350 R CA -0.202 55.964 56.100 0.109 0.000 1.022 350 R CB 0.507 30.881 30.300 0.123 0.000 0.976 350 R HN 0.567 nan 8.270 nan 0.000 0.443 351 L N 2.910 124.179 121.223 0.076 0.000 2.344 351 L HA 0.603 4.942 4.340 -0.001 0.000 0.272 351 L C 0.408 177.318 176.870 0.067 0.000 1.035 351 L CA -1.160 53.718 54.840 0.062 0.000 0.807 351 L CB 1.656 43.745 42.059 0.050 0.000 1.237 351 L HN 0.332 nan 8.230 nan 0.000 0.442 352 V N -0.570 119.378 119.914 0.056 0.000 3.102 352 V HA 0.640 4.759 4.120 -0.001 0.000 0.312 352 V C -2.714 173.399 176.094 0.032 0.000 1.135 352 V CA -2.781 59.539 62.300 0.034 0.000 1.022 352 V CB 1.617 33.442 31.823 0.004 0.000 1.056 352 V HN 0.487 nan 8.190 nan 0.000 0.436 353 P HA 0.180 nan 4.420 nan 0.000 0.264 353 P C -0.640 176.574 177.300 -0.142 0.000 1.183 353 P CA 0.605 63.677 63.100 -0.046 0.000 0.763 353 P CB -0.167 31.428 31.700 -0.175 0.000 0.807 354 H N 1.750 120.842 119.070 0.036 0.000 2.499 354 H HA 0.278 4.833 4.556 -0.002 0.000 0.262 354 H C 0.359 175.725 175.328 0.063 0.000 1.363 354 H CA -0.498 55.577 56.048 0.045 0.000 1.072 354 H CB -0.365 29.418 29.762 0.034 0.000 1.602 354 H HN 0.283 nan 8.280 nan 0.000 0.526 355 M N 1.228 120.923 119.600 0.158 0.000 2.245 355 M HA -0.002 4.477 4.480 -0.001 0.000 0.344 355 M C 0.467 176.854 176.300 0.145 0.000 1.170 355 M CA 0.228 55.600 55.300 0.119 0.000 1.135 355 M CB 0.451 33.094 32.600 0.071 0.000 1.574 355 M HN 0.336 nan 8.290 nan 0.000 0.452 356 N N 1.840 120.609 118.700 0.114 0.000 2.437 356 N HA 0.194 4.934 4.740 -0.001 0.000 0.259 356 N C 0.401 175.946 175.510 0.058 0.000 0.983 356 N CA -0.242 52.886 53.050 0.130 0.000 0.937 356 N CB 1.359 39.911 38.487 0.108 0.000 1.122 356 N HN 0.499 nan 8.380 nan 0.000 0.499 357 V N 2.962 122.853 119.914 -0.038 0.000 2.278 357 V HA -0.291 3.828 4.120 -0.001 0.000 0.251 357 V C 2.056 178.133 176.094 -0.027 0.000 1.062 357 V CA 2.641 64.855 62.300 -0.143 0.000 1.038 357 V CB -0.623 30.938 31.823 -0.436 0.000 0.646 357 V HN 0.833 nan 8.190 nan 0.000 0.447 358 S N 0.128 115.838 115.700 0.017 0.000 2.461 358 S HA 0.064 4.534 4.470 -0.001 0.000 0.228 358 S C 2.021 176.654 174.600 0.056 0.000 1.005 358 S CA 0.873 59.096 58.200 0.037 0.000 0.942 358 S CB -0.198 63.030 63.200 0.047 0.000 0.776 358 S HN 0.572 nan 8.310 nan 0.000 0.514 359 A N 1.856 124.711 122.820 0.059 0.000 1.897 359 A HA 0.117 4.436 4.320 -0.001 0.000 0.215 359 A C 2.332 179.956 177.584 0.067 0.000 1.181 359 A CA 1.356 53.429 52.037 0.060 0.000 0.620 359 A CB -1.022 18.013 19.000 0.057 0.000 0.821 359 A HN 0.375 nan 8.150 nan 0.000 0.443 360 V N 0.267 120.225 119.914 0.073 0.000 2.287 360 V HA -0.310 3.809 4.120 -0.001 0.000 0.248 360 V C 2.550 178.763 176.094 0.199 0.000 1.053 360 V CA 2.431 64.796 62.300 0.108 0.000 1.027 360 V CB -0.792 31.101 31.823 0.116 0.000 0.646 360 V HN 0.816 nan 8.190 nan 0.000 0.447 361 E N 0.840 121.163 120.200 0.204 0.000 2.049 361 E HA -0.308 4.041 4.350 -0.001 0.000 0.198 361 E C 2.370 179.095 176.600 0.210 0.000 1.007 361 E CA 2.369 58.931 56.400 0.271 0.000 0.809 361 E CB -0.235 29.537 29.700 0.120 0.000 0.749 361 E HN 0.589 nan 8.360 nan 0.000 0.450 362 K N 1.300 121.775 120.400 0.125 0.000 2.032 362 K HA -0.238 4.081 4.320 -0.001 0.000 0.209 362 K C 2.020 178.669 176.600 0.083 0.000 1.048 362 K CA 2.048 58.391 56.287 0.093 0.000 0.927 362 K CB -1.231 31.310 32.500 0.069 0.000 0.712 362 K HN 0.632 nan 8.250 nan 0.000 0.441 363 Q N -0.137 119.704 119.800 0.069 0.000 2.172 363 Q HA -0.030 4.309 4.340 -0.001 0.000 0.200 363 Q C 2.114 178.131 176.000 0.029 0.000 0.964 363 Q CA 1.411 57.241 55.803 0.044 0.000 0.855 363 Q CB -0.405 28.346 28.738 0.021 0.000 0.918 363 Q HN 0.267 nan 8.270 nan 0.000 0.444 364 V N 1.909 121.823 119.914 -0.000 0.000 2.307 364 V HA -0.221 3.898 4.120 -0.001 0.000 0.245 364 V C 2.271 178.365 176.094 -0.001 0.000 1.045 364 V CA 2.247 64.489 62.300 -0.096 0.000 1.024 364 V CB -0.858 30.679 31.823 -0.476 0.000 0.651 364 V HN 0.479 nan 8.190 nan 0.000 0.449 365 T N 0.221 114.814 114.554 0.065 0.000 2.684 365 T HA -0.233 4.116 4.350 -0.001 0.000 0.267 365 T C 2.361 177.105 174.700 0.073 0.000 1.036 365 T CA 2.336 64.490 62.100 0.090 0.000 1.148 365 T CB -0.472 68.468 68.868 0.119 0.000 0.863 365 T HN 0.630 nan 8.240 nan 0.000 0.436 366 R N 0.860 121.407 120.500 0.078 0.000 2.081 366 R HA -0.147 4.192 4.340 -0.001 0.000 0.235 366 R C 2.059 178.409 176.300 0.082 0.000 1.131 366 R CA 2.527 58.670 56.100 0.073 0.000 0.960 366 R CB -1.848 28.493 30.300 0.070 0.000 0.856 366 R HN 0.803 nan 8.270 nan 0.000 0.436 367 H N 0.274 119.343 119.070 -0.002 0.000 2.357 367 H HA 0.117 4.672 4.556 -0.001 0.000 0.301 367 H C 2.032 177.360 175.328 -0.000 0.000 1.082 367 H CA 1.852 57.893 56.048 -0.011 0.000 1.342 367 H CB -0.094 29.642 29.762 -0.044 0.000 1.389 367 H HN 0.348 nan 8.280 nan 0.000 0.511 368 L N 0.093 121.297 121.223 -0.032 0.000 2.141 368 L HA -0.106 4.233 4.340 -0.001 0.000 0.209 368 L C 2.393 179.255 176.870 -0.013 0.000 1.094 368 L CA 1.438 56.242 54.840 -0.059 0.000 0.763 368 L CB -0.328 41.746 42.059 0.026 0.000 0.908 368 L HN 0.445 nan 8.230 nan 0.000 0.437 369 E N -0.283 119.928 120.200 0.018 0.000 2.072 369 E HA -0.238 4.111 4.350 -0.001 0.000 0.191 369 E C 1.727 178.364 176.600 0.061 0.000 0.985 369 E CA 1.135 57.574 56.400 0.065 0.000 0.801 369 E CB -0.028 29.706 29.700 0.056 0.000 0.750 369 E HN 0.381 nan 8.360 nan 0.000 0.452 370 D N 0.402 120.799 120.400 -0.006 0.000 2.117 370 D HA -0.116 4.523 4.640 -0.001 0.000 0.198 370 D C 2.045 178.309 176.300 -0.060 0.000 0.982 370 D CA 0.681 54.665 54.000 -0.028 0.000 0.828 370 D CB 0.122 40.902 40.800 -0.034 0.000 0.967 370 D HN -0.034 nan 8.370 nan 0.000 0.464 371 V N 0.728 120.556 119.914 -0.142 0.000 2.287 371 V HA -0.237 3.882 4.120 -0.001 0.000 0.248 371 V C 2.389 178.479 176.094 -0.007 0.000 1.053 371 V CA 1.608 63.833 62.300 -0.125 0.000 1.027 371 V CB -0.728 30.958 31.823 -0.229 0.000 0.646 371 V HN 0.161 nan 8.190 nan 0.000 0.447 372 F N 1.824 121.715 119.950 -0.098 0.000 2.126 372 F HA -0.227 4.300 4.527 -0.001 0.000 0.299 372 F C 2.755 178.523 175.800 -0.053 0.000 1.096 372 F CA 1.828 59.791 58.000 -0.061 0.000 1.255 372 F CB -0.467 38.507 39.000 -0.043 0.000 0.997 372 F HN 0.272 nan 8.300 nan 0.000 0.479 373 S N -0.409 115.271 115.700 -0.032 0.000 2.383 373 S HA -0.186 4.283 4.470 -0.001 0.000 0.227 373 S C 1.937 176.440 174.600 -0.161 0.000 1.026 373 S CA 1.009 59.138 58.200 -0.120 0.000 0.981 373 S CB -0.700 62.494 63.200 -0.010 0.000 0.818 373 S HN 0.453 nan 8.310 nan 0.000 0.472 374 K N 0.947 121.277 120.400 -0.116 0.000 2.360 374 K HA 0.011 4.330 4.320 -0.001 0.000 0.201 374 K C 2.271 178.793 176.600 -0.131 0.000 1.046 374 K CA 1.027 57.253 56.287 -0.101 0.000 0.940 374 K CB -0.146 32.313 32.500 -0.069 0.000 0.748 374 K HN 0.432 nan 8.250 nan 0.000 0.465 375 R N 0.371 120.741 120.500 -0.216 0.000 2.246 375 R HA 0.054 4.393 4.340 -0.001 0.000 0.199 375 R C 0.006 176.162 176.300 -0.240 0.000 0.984 375 R CA 0.093 56.060 56.100 -0.221 0.000 1.015 375 R CB 0.031 30.160 30.300 -0.284 0.000 0.930 375 R HN 0.157 nan 8.270 nan 0.000 0.475 376 N N 0.879 119.398 118.700 -0.301 0.000 2.738 376 N HA -0.159 4.580 4.740 -0.001 0.000 0.249 376 N C -0.803 174.459 175.510 -0.414 0.000 1.047 376 N CA 1.026 53.922 53.050 -0.257 0.000 0.707 376 N CB -1.149 37.268 38.487 -0.117 0.000 0.937 376 N HN 0.154 nan 8.380 nan 0.000 0.545 377 S N -0.846 114.483 115.700 -0.618 0.000 2.616 377 S HA 0.503 4.972 4.470 -0.001 0.000 0.277 377 S C 1.407 175.664 174.600 -0.571 0.000 1.234 377 S CA 0.132 57.837 58.200 -0.825 0.000 1.028 377 S CB 1.042 63.866 63.200 -0.628 0.000 0.988 377 S HN 0.340 nan 8.310 nan 0.000 0.522 378 S N 3.165 118.540 115.700 -0.543 0.000 2.501 378 S HA 0.122 4.591 4.470 -0.001 0.000 0.220 378 S C 0.572 175.187 174.600 0.025 0.000 0.997 378 S CA -0.321 57.788 58.200 -0.151 0.000 0.919 378 S CB -0.481 62.710 63.200 -0.015 0.000 0.778 378 S HN 0.708 nan 8.310 nan 0.000 0.523 379 N N 2.990 121.747 118.700 0.096 0.000 2.381 379 N HA 0.083 4.822 4.740 -0.001 0.000 0.241 379 N C -0.296 175.382 175.510 0.279 0.000 1.279 379 N CA 0.283 53.461 53.050 0.213 0.000 0.896 379 N CB 0.327 38.977 38.487 0.272 0.000 1.118 379 N HN 0.421 nan 8.380 nan 0.000 0.438 380 K N 1.444 121.924 120.400 0.133 0.000 2.183 380 K HA 0.280 4.599 4.320 -0.001 0.000 0.274 380 K C -0.818 175.683 176.600 -0.165 0.000 1.009 380 K CA -0.308 55.998 56.287 0.031 0.000 0.888 380 K CB 0.814 33.328 32.500 0.023 0.000 1.078 380 K HN 0.528 nan 8.250 nan 0.000 0.459 381 M N 5.201 124.557 119.600 -0.406 0.000 2.227 381 M HA 0.269 4.748 4.480 -0.001 0.000 0.335 381 M C -1.669 174.480 176.300 -0.252 0.000 1.053 381 M CA -0.851 54.125 55.300 -0.540 0.000 0.973 381 M CB 1.580 33.474 32.600 -1.177 0.000 1.623 381 M HN 0.329 nan 8.290 nan 0.000 0.434 382 V N 5.817 125.643 119.914 -0.148 0.000 2.407 382 V HA 0.411 4.530 4.120 -0.001 0.000 0.291 382 V C -0.583 175.497 176.094 -0.022 0.000 1.018 382 V CA -0.760 61.502 62.300 -0.064 0.000 0.842 382 V CB 1.708 33.513 31.823 -0.030 0.000 0.996 382 V HN 0.659 nan 8.190 nan 0.000 0.426 383 V N 4.224 124.144 119.914 0.009 0.000 2.370 383 V HA 0.528 4.647 4.120 -0.001 0.000 0.279 383 V C 0.161 176.312 176.094 0.095 0.000 1.029 383 V CA -0.096 62.253 62.300 0.081 0.000 0.870 383 V CB 1.703 33.593 31.823 0.112 0.000 0.984 383 V HN 0.920 nan 8.190 nan 0.000 0.451 384 S N 5.830 121.588 115.700 0.096 0.000 2.605 384 S HA 0.527 4.996 4.470 -0.001 0.000 0.308 384 S C -0.393 174.187 174.600 -0.033 0.000 1.113 384 S CA -0.533 57.689 58.200 0.036 0.000 1.049 384 S CB 1.587 64.789 63.200 0.003 0.000 1.001 384 S HN 0.785 nan 8.310 nan 0.000 0.480 385 M N 4.089 123.596 119.600 -0.154 0.000 2.201 385 M HA 0.119 4.598 4.480 -0.001 0.000 0.345 385 M C 1.289 177.415 176.300 -0.290 0.000 1.352 385 M CA -0.112 54.881 55.300 -0.511 0.000 1.218 385 M CB 0.167 32.366 32.600 -0.669 0.000 1.512 385 M HN 0.936 nan 8.290 nan 0.000 0.447 386 T N 3.120 117.540 114.554 -0.223 0.000 2.942 386 T HA 0.157 4.506 4.350 -0.001 0.000 0.265 386 T C 0.507 175.112 174.700 -0.159 0.000 1.062 386 T CA 0.503 62.512 62.100 -0.151 0.000 1.139 386 T CB -0.059 68.729 68.868 -0.133 0.000 0.883 386 T HN 0.580 nan 8.240 nan 0.000 0.468 387 L N 0.899 122.020 121.223 -0.171 0.000 2.362 387 L HA 0.755 5.094 4.340 -0.001 0.000 0.275 387 L C -0.055 176.715 176.870 -0.167 0.000 0.998 387 L CA -1.147 53.611 54.840 -0.136 0.000 0.820 387 L CB 2.230 44.233 42.059 -0.093 0.000 1.270 387 L HN 0.213 nan 8.230 nan 0.000 0.415 388 G N 3.877 112.591 108.800 -0.145 0.000 2.866 388 G HA2 0.661 4.620 3.960 -0.001 0.000 0.291 388 G HA3 0.661 4.620 3.960 -0.001 0.000 0.291 388 G C -1.079 173.733 174.900 -0.147 0.000 1.476 388 G CA -0.255 44.747 45.100 -0.163 0.000 1.048 388 G HN 0.335 nan 8.290 nan 0.000 0.542 389 L N 1.590 122.746 121.223 -0.112 0.000 2.329 389 L HA 0.489 4.829 4.340 -0.001 0.000 0.279 389 L C 0.042 176.872 176.870 -0.066 0.000 1.014 389 L CA -1.107 53.698 54.840 -0.059 0.000 0.814 389 L CB 1.951 44.006 42.059 -0.006 0.000 1.257 389 L HN 0.495 nan 8.230 nan 0.000 0.424 390 H N 2.454 121.547 119.070 0.039 0.000 2.511 390 H HA 0.265 4.820 4.556 -0.001 0.000 0.346 390 H C -2.077 173.304 175.328 0.089 0.000 1.128 390 H CA -1.089 54.996 56.048 0.062 0.000 1.342 390 H CB 0.939 30.737 29.762 0.061 0.000 1.470 390 H HN 0.358 nan 8.280 nan 0.000 0.546 391 P HA -0.089 nan 4.420 nan 0.000 0.271 391 P C -0.917 176.539 177.300 0.260 0.000 1.233 391 P CA -0.079 63.138 63.100 0.194 0.000 0.789 391 P CB 0.698 32.478 31.700 0.134 0.000 0.951 392 W N 3.412 124.733 121.300 0.035 0.000 2.619 392 W HA 0.596 5.255 4.660 -0.002 0.000 0.327 392 W C -2.077 174.449 176.519 0.012 0.000 1.027 392 W CA -0.854 56.507 57.345 0.026 0.000 1.233 392 W CB 0.844 30.310 29.460 0.010 0.000 1.370 392 W HN 0.206 nan 8.180 nan 0.000 0.453 393 I N 5.583 125.764 120.570 -0.649 0.000 2.533 393 I HA 0.842 5.011 4.170 -0.001 0.000 0.290 393 I C -0.926 174.761 176.117 -0.716 0.000 1.056 393 I CA -0.665 60.202 61.300 -0.721 0.000 1.057 393 I CB 1.660 39.487 38.000 -0.288 0.000 1.240 393 I HN 0.593 nan 8.210 nan 0.000 0.423 394 A N 4.835 127.251 122.820 -0.675 0.000 2.387 394 A HA 0.674 4.993 4.320 -0.001 0.000 0.303 394 A C -0.671 176.888 177.584 -0.042 0.000 1.145 394 A CA -0.849 51.038 52.037 -0.249 0.000 0.801 394 A CB 0.597 19.550 19.000 -0.077 0.000 1.342 394 A HN 0.711 nan 8.150 nan 0.000 0.440 395 N N 0.385 119.066 118.700 -0.033 0.000 2.359 395 N HA 0.006 4.745 4.740 -0.001 0.000 0.261 395 N C 1.027 176.488 175.510 -0.082 0.000 1.267 395 N CA 0.322 53.327 53.050 -0.074 0.000 0.864 395 N CB 0.322 38.742 38.487 -0.112 0.000 1.063 395 N HN 0.603 nan 8.380 nan 0.000 0.474 396 I N 0.862 121.245 120.570 -0.312 0.000 2.567 396 I HA -0.159 4.010 4.170 -0.001 0.000 0.257 396 I C -0.328 175.692 176.117 -0.163 0.000 1.184 396 I CA 1.245 62.168 61.300 -0.628 0.000 1.451 396 I CB 0.222 37.667 38.000 -0.924 0.000 1.089 396 I HN 0.460 nan 8.210 nan 0.000 0.441 397 D N 1.610 121.937 120.400 -0.121 0.000 2.446 397 D HA 0.212 4.851 4.640 -0.001 0.000 0.251 397 D C -1.173 175.005 176.300 -0.205 0.000 1.137 397 D CA -0.155 53.793 54.000 -0.087 0.000 0.890 397 D CB 1.040 41.785 40.800 -0.092 0.000 1.071 397 D HN 0.103 nan 8.370 nan 0.000 0.528 398 D N 0.931 121.062 120.400 -0.449 0.000 2.505 398 D HA 0.340 4.979 4.640 -0.001 0.000 0.249 398 D C 1.331 177.361 176.300 -0.450 0.000 1.082 398 D CA -0.506 53.118 54.000 -0.627 0.000 0.839 398 D CB 1.822 41.910 40.800 -1.187 0.000 1.317 398 D HN 0.390 nan 8.370 nan 0.000 0.497 399 T N 2.288 116.695 114.554 -0.245 0.000 2.778 399 T HA -0.224 4.125 4.350 -0.001 0.000 0.269 399 T C 1.324 175.946 174.700 -0.130 0.000 1.050 399 T CA 1.341 63.363 62.100 -0.129 0.000 1.137 399 T CB -0.196 68.629 68.868 -0.072 0.000 0.860 399 T HN 0.351 nan 8.240 nan 0.000 0.468 400 Q N -0.309 119.346 119.800 -0.242 0.000 2.364 400 Q HA -0.072 4.267 4.340 -0.001 0.000 0.209 400 Q C 1.542 177.427 176.000 -0.192 0.000 0.977 400 Q CA 0.853 56.482 55.803 -0.290 0.000 0.885 400 Q CB -0.215 28.280 28.738 -0.406 0.000 0.941 400 Q HN 0.855 nan 8.270 nan 0.000 0.464 401 Y N -0.106 120.143 120.300 -0.084 0.000 2.457 401 Y HA -0.084 4.465 4.550 -0.001 0.000 0.292 401 Y C 2.036 177.977 175.900 0.068 0.000 1.125 401 Y CA -0.391 57.708 58.100 -0.001 0.000 1.254 401 Y CB -0.647 37.824 38.460 0.019 0.000 1.012 401 Y HN 0.049 nan 8.280 nan 0.000 0.555 402 L N 0.699 122.035 121.223 0.189 0.000 2.021 402 L HA -0.254 4.085 4.340 -0.001 0.000 0.215 402 L C 2.404 179.387 176.870 0.189 0.000 1.074 402 L CA 2.125 57.058 54.840 0.155 0.000 0.760 402 L CB -1.167 40.949 42.059 0.093 0.000 0.889 402 L HN 0.158 nan 8.230 nan 0.000 0.433 403 A N -0.962 121.993 122.820 0.225 0.000 1.908 403 A HA -0.148 4.171 4.320 -0.001 0.000 0.218 403 A C 2.434 180.243 177.584 0.375 0.000 1.181 403 A CA 2.076 54.255 52.037 0.237 0.000 0.627 403 A CB -1.119 18.001 19.000 0.201 0.000 0.818 403 A HN 0.590 nan 8.150 nan 0.000 0.445 404 A N -0.499 122.629 122.820 0.514 0.000 1.873 404 A HA 0.066 4.385 4.320 -0.001 0.000 0.215 404 A C 2.413 180.177 177.584 0.299 0.000 1.186 404 A CA 2.859 55.196 52.037 0.499 0.000 0.616 404 A CB -0.988 18.249 19.000 0.395 0.000 0.823 404 A HN 0.718 nan 8.150 nan 0.000 0.442 405 K N 0.198 120.734 120.400 0.226 0.000 2.032 405 K HA -0.179 4.140 4.320 -0.001 0.000 0.209 405 K C 2.157 178.843 176.600 0.144 0.000 1.048 405 K CA 1.808 58.188 56.287 0.157 0.000 0.927 405 K CB -0.735 31.844 32.500 0.132 0.000 0.712 405 K HN 0.651 nan 8.250 nan 0.000 0.441 406 R N -0.342 120.245 120.500 0.146 0.000 2.091 406 R HA -0.037 4.302 4.340 -0.001 0.000 0.238 406 R C 2.812 179.186 176.300 0.123 0.000 1.136 406 R CA 1.341 57.510 56.100 0.116 0.000 0.959 406 R CB -0.501 29.857 30.300 0.098 0.000 0.856 406 R HN 0.516 nan 8.270 nan 0.000 0.437 407 A N 0.886 123.808 122.820 0.170 0.000 1.930 407 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 407 A C 2.141 179.800 177.584 0.126 0.000 1.175 407 A CA 1.044 53.181 52.037 0.165 0.000 0.627 407 A CB -0.378 18.784 19.000 0.269 0.000 0.815 407 A HN 0.176 nan 8.150 nan 0.000 0.443 408 I N -0.270 120.406 120.570 0.177 0.000 2.226 408 I HA -0.314 3.856 4.170 -0.001 0.000 0.245 408 I C 3.243 179.470 176.117 0.183 0.000 1.100 408 I CA 1.561 63.002 61.300 0.234 0.000 1.374 408 I CB -0.349 37.788 38.000 0.227 0.000 1.057 408 I HN 0.447 nan 8.210 nan 0.000 0.413 409 R N 0.337 120.913 120.500 0.126 0.000 2.083 409 R HA -0.187 4.152 4.340 -0.001 0.000 0.237 409 R C 2.171 178.512 176.300 0.069 0.000 1.137 409 R CA 2.387 58.544 56.100 0.096 0.000 0.951 409 R CB -2.242 28.105 30.300 0.078 0.000 0.851 409 R HN 0.397 nan 8.270 nan 0.000 0.434 410 T N 0.269 114.855 114.554 0.054 0.000 2.684 410 T HA -0.116 4.233 4.350 -0.001 0.000 0.267 410 T C 2.089 176.779 174.700 -0.017 0.000 1.036 410 T CA 1.813 63.939 62.100 0.044 0.000 1.148 410 T CB -0.203 68.711 68.868 0.076 0.000 0.863 410 T HN 0.265 nan 8.240 nan 0.000 0.436 411 V N -0.397 119.420 119.914 -0.162 0.000 2.725 411 V HA 0.213 4.332 4.120 -0.001 0.000 0.247 411 V C 0.636 176.396 176.094 -0.556 0.000 1.058 411 V CA 0.853 62.855 62.300 -0.497 0.000 1.080 411 V CB -0.442 30.851 31.823 -0.882 0.000 0.713 411 V HN 0.242 nan 8.190 nan 0.000 0.465 415 E N 1.882 122.093 120.200 0.018 0.000 2.418 415 E HA 0.550 4.900 4.350 -0.001 0.000 0.261 415 E C -2.301 174.297 176.600 -0.003 0.000 1.070 415 E CA -0.916 55.499 56.400 0.026 0.000 0.931 415 E CB -0.813 28.909 29.700 0.036 0.000 0.954 415 E HN 0.731 nan 8.360 nan 0.000 0.439 416 P HA 0.284 nan 4.420 nan 0.000 0.277 416 P C -0.897 176.394 177.300 -0.014 0.000 1.240 416 P CA -0.551 62.517 63.100 -0.054 0.000 0.798 416 P CB 0.828 32.502 31.700 -0.042 0.000 0.979 417 D N 1.530 121.919 120.400 -0.018 0.000 2.341 417 D HA 0.227 4.866 4.640 -0.001 0.000 0.245 417 D C 0.076 176.396 176.300 0.034 0.000 1.106 417 D CA 0.140 54.168 54.000 0.048 0.000 0.905 417 D CB 0.451 41.309 40.800 0.097 0.000 1.202 417 D HN 0.127 nan 8.370 nan 0.000 0.426 418 M N 3.314 122.952 119.600 0.062 0.000 2.063 418 M HA 0.361 4.840 4.480 -0.001 0.000 0.348 418 M C -0.011 176.434 176.300 0.243 0.000 1.180 418 M CA -0.485 54.872 55.300 0.096 0.000 1.059 418 M CB -0.085 32.500 32.600 -0.024 0.000 1.544 418 M HN 0.323 nan 8.290 nan 0.000 0.447 419 I N 0.483 121.109 120.570 0.094 0.000 3.002 419 I HA 0.744 4.913 4.170 -0.001 0.000 0.310 419 I C -0.457 175.075 176.117 -0.975 0.000 1.087 419 I CA -1.146 59.958 61.300 -0.327 0.000 1.017 419 I CB 2.387 40.300 38.000 -0.145 0.000 1.226 419 I HN 0.557 nan 8.210 nan 0.000 0.443 420 R N 0.862 120.154 120.500 -2.014 0.000 2.843 420 R HA 0.535 4.875 4.340 -0.001 0.000 0.232 420 R C -1.090 174.289 176.300 -1.535 0.000 1.305 420 R CA -0.805 54.256 56.100 -1.732 0.000 1.096 420 R CB 0.835 30.220 30.300 -1.525 0.000 1.455 420 R HN 0.674 nan 8.270 nan 0.000 0.520 421 D N -1.434 118.480 120.400 -0.809 0.000 2.819 421 D HA 0.182 4.821 4.640 -0.001 0.000 0.232 421 D C 0.189 176.479 176.300 -0.017 0.000 1.160 421 D CA -0.401 53.443 54.000 -0.260 0.000 0.858 421 D CB 2.266 43.015 40.800 -0.084 0.000 1.610 421 D HN 0.666 nan 8.370 nan 0.000 0.481 422 G N 1.199 110.119 108.800 0.200 0.000 2.572 422 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.216 422 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.216 422 G C 0.844 175.822 174.900 0.131 0.000 1.133 422 G CA 0.632 45.856 45.100 0.206 0.000 0.791 422 G HN 0.436 nan 8.290 nan 0.000 0.538 423 S N -0.562 115.199 115.700 0.101 0.000 2.686 423 S HA 0.587 5.056 4.470 -0.001 0.000 0.270 423 S C -0.217 174.433 174.600 0.084 0.000 1.194 423 S CA -0.325 57.925 58.200 0.084 0.000 0.990 423 S CB 1.489 64.721 63.200 0.054 0.000 1.029 423 S HN -0.049 nan 8.310 nan 0.000 0.560 424 T N 1.074 115.676 114.554 0.081 0.000 2.792 424 T HA 0.556 4.905 4.350 -0.001 0.000 0.280 424 T C -0.559 174.166 174.700 0.042 0.000 0.990 424 T CA -0.413 61.730 62.100 0.072 0.000 0.960 424 T CB 0.434 69.345 68.868 0.072 0.000 0.939 424 T HN 0.561 nan 8.240 nan 0.000 0.439 425 I N 5.099 125.677 120.570 0.014 0.000 2.502 425 I HA 0.252 4.421 4.170 -0.001 0.000 0.276 425 I C -1.805 174.234 176.117 -0.130 0.000 1.057 425 I CA -2.437 58.828 61.300 -0.058 0.000 1.163 425 I CB 2.053 39.999 38.000 -0.090 0.000 1.288 425 I HN 0.368 nan 8.210 nan 0.000 0.479 426 P HA -0.179 nan 4.420 nan 0.000 0.217 426 P C 1.665 178.855 177.300 -0.183 0.000 1.148 426 P CA 1.388 64.424 63.100 -0.105 0.000 0.828 426 P CB 0.517 32.167 31.700 -0.083 0.000 0.783 427 I N -1.502 118.860 120.570 -0.347 0.000 2.546 427 I HA -0.157 4.013 4.170 -0.001 0.000 0.255 427 I C 1.948 177.819 176.117 -0.409 0.000 1.163 427 I CA 0.680 61.723 61.300 -0.429 0.000 1.457 427 I CB -0.237 37.284 38.000 -0.798 0.000 1.092 427 I HN -0.115 nan 8.210 nan 0.000 0.434 428 A N 1.147 123.656 122.820 -0.519 0.000 1.859 428 A HA -0.336 3.984 4.320 -0.001 0.000 0.217 428 A C 2.253 179.531 177.584 -0.509 0.000 1.198 428 A CA 2.417 53.977 52.037 -0.795 0.000 0.629 428 A CB -0.667 17.599 19.000 -1.224 0.000 0.830 428 A HN 0.361 nan 8.150 nan 0.000 0.446 429 K N -0.584 119.701 120.400 -0.192 0.000 2.057 429 K HA -0.013 4.306 4.320 -0.001 0.000 0.206 429 K C 2.026 178.633 176.600 0.012 0.000 1.050 429 K CA 1.883 58.214 56.287 0.074 0.000 0.935 429 K CB -0.446 32.147 32.500 0.155 0.000 0.715 429 K HN 0.499 nan 8.250 nan 0.000 0.439 430 M N -0.803 118.768 119.600 -0.048 0.000 2.082 430 M HA -0.176 4.304 4.480 -0.001 0.000 0.258 430 M C 1.957 178.204 176.300 -0.088 0.000 1.069 430 M CA 1.966 57.227 55.300 -0.065 0.000 1.102 430 M CB -0.417 32.133 32.600 -0.083 0.000 1.336 430 M HN 0.178 nan 8.290 nan 0.000 0.404 431 F N 0.566 120.362 119.950 -0.256 0.000 2.186 431 F HA -0.228 4.298 4.527 -0.002 0.000 0.299 431 F C 2.661 178.350 175.800 -0.185 0.000 1.090 431 F CA 1.787 59.609 58.000 -0.296 0.000 1.307 431 F CB -0.262 38.526 39.000 -0.353 0.000 1.019 431 F HN 0.190 nan 8.300 nan 0.000 0.489 432 Q N 0.360 120.187 119.800 0.046 0.000 2.049 432 Q HA -0.169 4.170 4.340 -0.001 0.000 0.198 432 Q C 2.243 178.280 176.000 0.062 0.000 0.971 432 Q CA 1.972 57.844 55.803 0.115 0.000 0.833 432 Q CB -0.247 28.668 28.738 0.294 0.000 0.896 432 Q HN 0.546 nan 8.270 nan 0.000 0.434 433 E N 0.601 120.812 120.200 0.020 0.000 2.158 433 E HA -0.065 4.284 4.350 -0.001 0.000 0.191 433 E C 1.665 178.200 176.600 -0.109 0.000 0.982 433 E CA 1.193 57.605 56.400 0.019 0.000 0.823 433 E CB -0.403 29.293 29.700 -0.007 0.000 0.766 433 E HN 0.554 nan 8.360 nan 0.000 0.468 434 I N -0.284 120.126 120.570 -0.266 0.000 2.512 434 I HA -0.050 4.119 4.170 -0.001 0.000 0.247 434 I C 2.011 177.699 176.117 -0.714 0.000 1.094 434 I CA 0.707 61.771 61.300 -0.394 0.000 1.427 434 I CB 0.698 38.535 38.000 -0.273 0.000 1.149 434 I HN 0.195 nan 8.210 nan 0.000 0.438 435 V N -0.697 118.759 119.914 -0.763 0.000 3.660 435 V HA 0.080 4.199 4.120 -0.001 0.000 0.276 435 V C 0.591 176.311 176.094 -0.623 0.000 1.317 435 V CA 0.109 61.921 62.300 -0.815 0.000 1.097 435 V CB -0.977 30.146 31.823 -1.166 0.000 0.863 435 V HN 0.408 nan 8.190 nan 0.000 0.438 436 H N -0.504 118.380 119.070 -0.310 0.000 2.921 436 H HA -0.179 4.376 4.556 -0.001 0.000 0.281 436 H C 0.555 175.823 175.328 -0.099 0.000 1.165 436 H CA 1.088 57.045 56.048 -0.151 0.000 1.151 436 H CB -1.473 28.230 29.762 -0.099 0.000 1.311 436 H HN 0.531 nan 8.280 nan 0.000 0.361 437 K N 0.244 120.596 120.400 -0.081 0.000 2.211 437 K HA 0.572 4.891 4.320 -0.001 0.000 0.237 437 K C 0.522 177.344 176.600 0.370 0.000 1.002 437 K CA -0.690 55.689 56.287 0.153 0.000 0.885 437 K CB 1.625 34.249 32.500 0.207 0.000 1.136 437 K HN -0.065 nan 8.250 nan 0.000 0.448 438 S N 0.643 116.566 115.700 0.371 0.000 2.592 438 S HA 0.220 4.689 4.470 -0.001 0.000 0.271 438 S C -0.403 174.383 174.600 0.311 0.000 1.326 438 S CA -0.806 57.573 58.200 0.298 0.000 1.024 438 S CB 0.911 64.179 63.200 0.113 0.000 0.921 438 S HN 0.256 nan 8.310 nan 0.000 0.527 439 V N 3.117 123.195 119.914 0.274 0.000 2.357 439 V HA 0.367 4.486 4.120 -0.001 0.000 0.284 439 V C -0.465 175.765 176.094 0.227 0.000 1.018 439 V CA -0.666 61.683 62.300 0.082 0.000 0.841 439 V CB 1.372 33.037 31.823 -0.264 0.000 0.991 439 V HN 0.641 nan 8.190 nan 0.000 0.437 440 V N 6.593 126.600 119.914 0.155 0.000 2.328 440 V HA 0.423 4.542 4.120 -0.001 0.000 0.278 440 V C -0.086 176.059 176.094 0.085 0.000 1.021 440 V CA -0.416 62.002 62.300 0.195 0.000 0.838 440 V CB 1.476 33.443 31.823 0.240 0.000 0.999 440 V HN 0.626 nan 8.190 nan 0.000 0.447 441 L N 6.613 127.881 121.223 0.074 0.000 2.265 441 L HA 0.582 4.921 4.340 -0.001 0.000 0.289 441 L C -0.493 176.436 176.870 0.097 0.000 1.033 441 L CA -0.277 54.600 54.840 0.062 0.000 0.814 441 L CB 1.412 43.511 42.059 0.067 0.000 1.203 441 L HN 0.536 nan 8.230 nan 0.000 0.423 442 I N 5.639 126.310 120.570 0.168 0.000 2.460 442 I HA 0.257 4.426 4.170 -0.001 0.000 0.277 442 I C -2.142 174.144 176.117 0.281 0.000 1.057 442 I CA -1.897 59.537 61.300 0.224 0.000 1.179 442 I CB 1.457 39.636 38.000 0.297 0.000 1.329 442 I HN 0.300 nan 8.210 nan 0.000 0.478 443 P HA 0.099 nan 4.420 nan 0.000 0.267 443 P C 0.421 177.947 177.300 0.376 0.000 1.205 443 P CA 0.049 63.335 63.100 0.310 0.000 0.765 443 P CB 1.477 33.399 31.700 0.370 0.000 0.828 444 L N 1.586 122.920 121.223 0.184 0.000 2.463 444 L HA 0.200 4.539 4.340 -0.001 0.000 0.219 444 L C 1.531 178.214 176.870 -0.311 0.000 1.088 444 L CA 0.372 55.231 54.840 0.031 0.000 0.849 444 L CB -0.329 41.768 42.059 0.063 0.000 1.012 444 L HN 0.462 nan 8.230 nan 0.000 0.468 445 G N 0.409 109.052 108.800 -0.261 0.000 2.467 445 G HA2 0.463 4.422 3.960 -0.001 0.000 0.257 445 G HA3 0.463 4.422 3.960 -0.001 0.000 0.257 445 G C -0.121 174.442 174.900 -0.561 0.000 1.227 445 G CA -0.044 44.864 45.100 -0.320 0.000 0.835 445 G HN 0.202 nan 8.290 nan 0.000 0.556 446 A N 1.432 123.982 122.820 -0.449 0.000 2.304 446 A HA 0.452 4.771 4.320 -0.001 0.000 0.271 446 A C 1.616 179.129 177.584 -0.118 0.000 1.091 446 A CA -0.092 51.728 52.037 -0.360 0.000 0.812 446 A CB 1.212 20.054 19.000 -0.262 0.000 1.056 446 A HN 1.362 nan 8.150 nan 0.000 0.489 447 V N 0.626 120.546 119.914 0.010 0.000 2.546 447 V HA -0.161 3.958 4.120 -0.001 0.000 0.254 447 V C 1.304 177.414 176.094 0.026 0.000 1.076 447 V CA 2.847 65.199 62.300 0.087 0.000 1.087 447 V CB -0.678 31.254 31.823 0.182 0.000 0.674 447 V HN 0.991 nan 8.190 nan 0.000 0.470 448 D N -2.401 117.989 120.400 -0.017 0.000 2.463 448 D HA 0.039 4.678 4.640 -0.001 0.000 0.224 448 D C 1.106 177.375 176.300 -0.052 0.000 1.174 448 D CA -0.061 53.918 54.000 -0.034 0.000 0.829 448 D CB -0.029 40.749 40.800 -0.036 0.000 0.993 448 D HN 0.315 nan 8.370 nan 0.000 0.497 449 D N 1.363 121.726 120.400 -0.062 0.000 2.218 449 D HA 0.021 4.660 4.640 -0.001 0.000 0.204 449 D C 1.631 177.893 176.300 -0.064 0.000 0.976 449 D CA 1.685 55.634 54.000 -0.084 0.000 0.853 449 D CB -0.336 40.413 40.800 -0.086 0.000 0.939 449 D HN 0.494 nan 8.370 nan 0.000 0.481 450 G N 1.492 110.269 108.800 -0.039 0.000 2.289 450 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.280 450 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.280 450 G C -0.380 174.522 174.900 0.004 0.000 1.089 450 G CA 0.064 45.146 45.100 -0.030 0.000 0.939 450 G HN 0.347 nan 8.290 nan 0.000 0.499 451 E N -0.433 119.774 120.200 0.010 0.000 2.502 451 E HA 0.253 4.603 4.350 -0.001 0.000 0.261 451 E C 1.128 177.809 176.600 0.134 0.000 0.974 451 E CA 0.421 56.852 56.400 0.051 0.000 0.936 451 E CB 0.044 29.688 29.700 -0.094 0.000 0.926 451 E HN 0.688 nan 8.360 nan 0.000 0.459 452 H N -0.559 118.555 119.070 0.074 0.000 3.395 452 H HA -0.168 4.387 4.556 -0.001 0.000 0.222 452 H C -0.299 175.064 175.328 0.059 0.000 1.099 452 H CA 0.299 56.392 56.048 0.074 0.000 1.182 452 H CB -1.081 28.720 29.762 0.065 0.000 1.188 452 H HN 0.340 nan 8.280 nan 0.000 0.317 453 S N 0.478 116.256 115.700 0.130 0.000 2.718 453 S HA 0.350 4.819 4.470 -0.001 0.000 0.300 453 S C 0.205 174.694 174.600 -0.184 0.000 1.117 453 S CA -1.023 57.169 58.200 -0.012 0.000 1.002 453 S CB 1.973 65.131 63.200 -0.071 0.000 1.092 453 S HN 0.180 nan 8.310 nan 0.000 0.542 454 Q N 2.105 121.662 119.800 -0.405 0.000 2.364 454 Q HA 0.290 4.629 4.340 -0.001 0.000 0.267 454 Q C -0.057 175.194 176.000 -1.249 0.000 0.999 454 Q CA 0.083 55.160 55.803 -1.209 0.000 0.886 454 Q CB -0.029 28.208 28.738 -0.835 0.000 1.243 454 Q HN 0.543 nan 8.270 nan 0.000 0.415 455 N N 0.524 117.930 118.700 -2.157 0.000 2.758 455 N HA -0.205 4.534 4.740 -0.001 0.000 0.248 455 N C -0.788 174.574 175.510 -0.248 0.000 1.076 455 N CA 0.773 53.331 53.050 -0.818 0.000 0.696 455 N CB -0.867 37.383 38.487 -0.395 0.000 0.979 455 N HN 0.817 nan 8.380 nan 0.000 0.550 456 E N 1.496 121.516 120.200 -0.299 0.000 2.414 456 E HA 0.072 4.421 4.350 -0.001 0.000 0.263 456 E C 0.345 176.942 176.600 -0.005 0.000 1.000 456 E CA 0.247 56.637 56.400 -0.017 0.000 0.914 456 E CB 0.596 30.376 29.700 0.134 0.000 0.948 456 E HN 0.317 nan 8.360 nan 0.000 0.444 457 K N 4.351 124.639 120.400 -0.186 0.000 2.482 457 K HA 0.486 4.805 4.320 -0.001 0.000 0.257 457 K C -1.225 175.241 176.600 -0.222 0.000 0.969 457 K CA -0.900 55.159 56.287 -0.381 0.000 0.842 457 K CB 1.451 33.413 32.500 -0.896 0.000 1.359 457 K HN 0.543 nan 8.250 nan 0.000 0.441 458 I N 1.825 122.271 120.570 -0.208 0.000 2.530 458 I HA 0.262 4.431 4.170 -0.001 0.000 0.297 458 I C -0.843 175.193 176.117 -0.136 0.000 1.011 458 I CA -1.104 60.107 61.300 -0.148 0.000 1.107 458 I CB 1.726 39.661 38.000 -0.108 0.000 1.285 458 I HN 0.639 nan 8.210 nan 0.000 0.436 459 N N 6.417 125.070 118.700 -0.078 0.000 2.492 459 N HA 0.057 4.796 4.740 -0.001 0.000 0.260 459 N C 0.803 176.372 175.510 0.098 0.000 1.215 459 N CA -0.025 53.027 53.050 0.003 0.000 0.923 459 N CB 0.953 39.473 38.487 0.055 0.000 1.092 459 N HN 0.615 nan 8.380 nan 0.000 0.448 460 R N 1.785 122.357 120.500 0.121 0.000 2.103 460 R HA -0.195 4.144 4.340 -0.001 0.000 0.242 460 R C 1.745 178.186 176.300 0.235 0.000 1.142 460 R CA 1.559 57.773 56.100 0.190 0.000 0.960 460 R CB -0.283 30.112 30.300 0.159 0.000 0.858 460 R HN 0.741 nan 8.270 nan 0.000 0.439 461 W N 1.738 123.070 121.300 0.054 0.000 2.335 461 W HA -0.204 4.455 4.660 -0.002 0.000 0.311 461 W C 1.598 178.158 176.519 0.068 0.000 1.213 461 W CA 2.326 59.704 57.345 0.055 0.000 1.274 461 W CB -0.386 29.102 29.460 0.047 0.000 1.148 461 W HN 0.222 nan 8.180 nan 0.000 0.498 462 N N -1.341 117.525 118.700 0.277 0.000 2.120 462 N HA -0.249 4.490 4.740 -0.001 0.000 0.188 462 N C 1.488 177.014 175.510 0.027 0.000 1.024 462 N CA 1.812 54.909 53.050 0.078 0.000 0.852 462 N CB -1.130 37.346 38.487 -0.019 0.000 1.003 462 N HN 0.228 nan 8.380 nan 0.000 0.424 463 Y N 1.270 121.542 120.300 -0.047 0.000 2.114 463 Y HA -0.122 4.428 4.550 -0.001 0.000 0.284 463 Y C 1.805 177.672 175.900 -0.055 0.000 1.143 463 Y CA 1.290 59.368 58.100 -0.037 0.000 1.135 463 Y CB -0.263 38.197 38.460 0.000 0.000 0.980 463 Y HN -0.027 nan 8.280 nan 0.000 0.499 464 I N 0.215 120.713 120.570 -0.122 0.000 2.277 464 I HA -0.169 4.000 4.170 -0.001 0.000 0.243 464 I C 2.169 178.094 176.117 -0.321 0.000 1.094 464 I CA 1.272 62.438 61.300 -0.224 0.000 1.393 464 I CB -1.364 36.572 38.000 -0.107 0.000 1.078 464 I HN 0.228 nan 8.210 nan 0.000 0.417 465 E N 0.867 120.799 120.200 -0.446 0.000 2.204 465 E HA -0.081 4.268 4.350 -0.001 0.000 0.194 465 E C 2.256 178.579 176.600 -0.462 0.000 0.989 465 E CA 1.035 57.072 56.400 -0.605 0.000 0.824 465 E CB -0.324 28.778 29.700 -0.997 0.000 0.756 465 E HN 0.513 nan 8.360 nan 0.000 0.477 466 G N 0.903 109.525 108.800 -0.297 0.000 2.422 466 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.218 466 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.218 466 G C 1.648 176.257 174.900 -0.484 0.000 1.140 466 G CA 1.272 46.176 45.100 -0.327 0.000 0.775 466 G HN 0.227 nan 8.290 nan 0.000 0.545 467 T N 1.094 115.440 114.554 -0.346 0.000 2.708 467 T HA -0.090 4.259 4.350 -0.001 0.000 0.266 467 T C 2.305 176.862 174.700 -0.238 0.000 1.037 467 T CA 1.462 63.411 62.100 -0.252 0.000 1.146 467 T CB -0.174 68.552 68.868 -0.235 0.000 0.865 467 T HN 0.317 nan 8.240 nan 0.000 0.435 468 K N 0.636 120.849 120.400 -0.311 0.000 2.063 468 K HA -0.058 4.261 4.320 -0.001 0.000 0.208 468 K C 2.216 178.650 176.600 -0.277 0.000 1.048 468 K CA 0.985 57.054 56.287 -0.364 0.000 0.928 468 K CB -0.480 31.472 32.500 -0.912 0.000 0.713 468 K HN 0.121 nan 8.250 nan 0.000 0.442 469 L N 0.519 121.491 121.223 -0.419 0.000 1.990 469 L HA -0.202 4.137 4.340 -0.001 0.000 0.213 469 L C 1.988 178.753 176.870 -0.176 0.000 1.072 469 L CA 1.788 56.437 54.840 -0.318 0.000 0.755 469 L CB -0.434 41.411 42.059 -0.356 0.000 0.889 469 L HN 0.035 nan 8.230 nan 0.000 0.432 470 F N -0.083 119.720 119.950 -0.245 0.000 2.171 470 F HA -0.114 4.412 4.527 -0.002 0.000 0.300 470 F C 2.519 177.645 175.800 -1.124 0.000 1.090 470 F CA 0.798 58.476 58.000 -0.536 0.000 1.293 470 F CB -1.641 37.022 39.000 -0.561 0.000 1.013 470 F HN 0.220 nan 8.300 nan 0.000 0.486 471 A N 0.117 122.589 122.820 -0.580 0.000 1.877 471 A HA -0.059 4.260 4.320 -0.001 0.000 0.216 471 A C 2.503 179.945 177.584 -0.236 0.000 1.186 471 A CA 1.936 53.677 52.037 -0.494 0.000 0.620 471 A CB -1.312 17.646 19.000 -0.071 0.000 0.822 471 A HN 0.284 nan 8.150 nan 0.000 0.443 472 A N -1.079 121.729 122.820 -0.020 0.000 1.908 472 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 472 A C 2.066 179.680 177.584 0.050 0.000 1.181 472 A CA 1.693 53.756 52.037 0.043 0.000 0.627 472 A CB -0.792 18.301 19.000 0.155 0.000 0.818 472 A HN 0.789 nan 8.150 nan 0.000 0.445 473 F N 0.181 120.093 119.950 -0.063 0.000 2.095 473 F HA -0.215 4.311 4.527 -0.001 0.000 0.298 473 F C 1.847 177.730 175.800 0.139 0.000 1.104 473 F CA 1.752 59.791 58.000 0.065 0.000 1.232 473 F CB -0.409 38.692 39.000 0.169 0.000 0.987 473 F HN 0.214 nan 8.300 nan 0.000 0.475 474 F N 0.914 120.836 119.950 -0.047 0.000 2.115 474 F HA -0.247 4.279 4.527 -0.001 0.000 0.300 474 F C 2.720 178.382 175.800 -0.230 0.000 1.092 474 F CA 1.554 59.436 58.000 -0.196 0.000 1.245 474 F CB -1.780 37.133 39.000 -0.144 0.000 0.995 474 F HN 0.147 nan 8.300 nan 0.000 0.481 475 L N -0.710 120.528 121.223 0.025 0.000 2.131 475 L HA -0.015 4.324 4.340 -0.001 0.000 0.206 475 L C 2.226 179.057 176.870 -0.065 0.000 1.087 475 L CA 1.792 56.615 54.840 -0.027 0.000 0.767 475 L CB -1.154 40.883 42.059 -0.036 0.000 0.917 475 L HN 0.031 nan 8.230 nan 0.000 0.441 476 E N -0.642 119.504 120.200 -0.090 0.000 2.107 476 E HA -0.207 4.142 4.350 -0.001 0.000 0.191 476 E C 2.155 178.692 176.600 -0.105 0.000 0.982 476 E CA 1.513 57.872 56.400 -0.068 0.000 0.809 476 E CB -0.101 29.594 29.700 -0.008 0.000 0.756 476 E HN 0.823 nan 8.360 nan 0.000 0.459 477 M N 0.433 119.878 119.600 -0.259 0.000 2.132 477 M HA -0.095 4.384 4.480 -0.001 0.000 0.263 477 M C 2.157 178.395 176.300 -0.104 0.000 1.065 477 M CA 1.587 56.757 55.300 -0.218 0.000 1.122 477 M CB -0.011 32.304 32.600 -0.474 0.000 1.365 477 M HN 0.060 nan 8.290 nan 0.000 0.411 478 A N -0.042 122.714 122.820 -0.105 0.000 1.933 478 A HA -0.251 4.069 4.320 -0.001 0.000 0.218 478 A C 2.016 179.577 177.584 -0.039 0.000 1.175 478 A CA 1.911 53.910 52.037 -0.064 0.000 0.628 478 A CB -0.906 18.057 19.000 -0.062 0.000 0.814 478 A HN 0.740 nan 8.150 nan 0.000 0.444 479 Q N -0.460 119.318 119.800 -0.036 0.000 2.079 479 Q HA 0.005 4.344 4.340 -0.001 0.000 0.200 479 Q C 1.304 177.302 176.000 -0.003 0.000 0.974 479 Q CA 1.263 57.055 55.803 -0.019 0.000 0.840 479 Q CB -0.637 28.090 28.738 -0.017 0.000 0.898 479 Q HN 0.586 nan 8.270 nan 0.000 0.430 480 L N 0.000 121.227 121.223 0.006 0.000 2.949 480 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 480 L CA 0.000 54.857 54.840 0.028 0.000 0.813 480 L CB 0.000 42.091 42.059 0.053 0.000 0.961 480 L HN 0.000 nan 8.230 nan 0.000 0.502