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 1gtg_1_1 DATA FIRST_RESID 1 DATA SEQUENCE AAPTAYTPLD VAQAYQFPEG LDGQGQCIAI IELGGGYDET SLAQYFASLG DATA SEQUENCE VSAPQVVSVS VDGATNQPTG DPNGPDGEVE LDIEVAGALA PGAKIAVYFA DATA SEQUENCE PNTDAGFLNA ITTAVHDPTH KPSIVSISWG GPEDSWAPAS IAAMNRAFLD DATA SEQUENCE AAALGVTVLA AAGDSGSTDG EQDGLYHVDF PAASPYVLAC GGTRLVASAG DATA SEQUENCE RIERETVWND GPDGGSTGGG VSRIFPLPSW QERANVPPSA NPGAGSGRGV DATA SEQUENCE PDVAGNADPA TGYEVVIDGE TTVIGGTSAV APLFAALVAR INQKLGKPVG DATA SEQUENCE YLNPTLYQLP PEVFHDITEG NNDIANRARI YQAGPGWDPC TGLGSPIGIR DATA SEQUENCE LLQALLP 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.581 177.584 -0.006 0.000 1.274 1 A CA 0.000 52.042 52.037 0.009 0.000 0.836 1 A CB 0.000 19.012 19.000 0.020 0.000 0.831 2 A N 0.645 123.459 122.820 -0.011 0.000 1.616 2 A HA 0.145 4.502 4.320 0.061 0.000 0.208 2 A C -1.703 175.856 177.584 -0.042 0.000 1.293 2 A CA 0.431 52.453 52.037 -0.025 0.000 0.657 2 A CB -1.539 17.445 19.000 -0.027 0.000 1.154 2 A HN 0.814 nan 8.150 nan 0.000 0.202 3 P HA 0.357 nan 4.420 nan 0.000 0.267 3 P C 0.368 177.603 177.300 -0.107 0.000 1.205 3 P CA 0.999 64.059 63.100 -0.065 0.000 0.765 3 P CB 0.804 32.477 31.700 -0.046 0.000 0.828 4 T N -0.252 114.203 114.554 -0.165 0.000 2.831 4 T HA 0.858 5.244 4.350 0.061 0.000 0.287 4 T C -0.878 173.622 174.700 -0.333 0.000 1.070 4 T CA -0.911 61.037 62.100 -0.254 0.000 1.010 4 T CB 1.868 70.539 68.868 -0.329 0.000 1.264 4 T HN 0.571 nan 8.240 nan 0.000 0.532 5 A N 0.031 122.586 122.820 -0.441 0.000 2.606 5 A HA 0.770 5.126 4.320 0.061 0.000 0.293 5 A C -2.053 175.229 177.584 -0.503 0.000 1.082 5 A CA -1.044 50.743 52.037 -0.418 0.000 0.685 5 A CB 0.967 19.852 19.000 -0.191 0.000 1.284 5 A HN 0.831 nan 8.150 nan 0.000 0.408 6 Y N -0.341 119.849 120.300 -0.182 0.000 2.633 6 Y HA 0.687 5.273 4.550 0.060 0.000 0.339 6 Y C 1.080 176.937 175.900 -0.072 0.000 1.045 6 Y CA -0.213 57.791 58.100 -0.161 0.000 1.098 6 Y CB 2.149 40.455 38.460 -0.256 0.000 1.296 6 Y HN 0.813 nan 8.280 nan 0.000 0.494 7 T N -2.628 112.017 114.554 0.152 0.000 2.927 7 T HA 0.314 4.701 4.350 0.061 0.000 0.281 7 T C -2.329 172.475 174.700 0.174 0.000 0.998 7 T CA -2.234 59.958 62.100 0.153 0.000 1.019 7 T CB 1.692 70.597 68.868 0.062 0.000 1.061 7 T HN 0.270 nan 8.240 nan 0.000 0.518 8 P HA -0.012 nan 4.420 nan 0.000 0.216 8 P C 1.668 178.958 177.300 -0.016 0.000 1.150 8 P CA 0.900 64.098 63.100 0.164 0.000 0.837 8 P CB -0.127 31.657 31.700 0.140 0.000 0.786 9 L N -0.607 120.602 121.223 -0.025 0.000 2.083 9 L HA -0.188 4.188 4.340 0.061 0.000 0.209 9 L C 1.968 178.752 176.870 -0.144 0.000 1.083 9 L CA 1.478 56.262 54.840 -0.093 0.000 0.752 9 L CB -1.054 40.974 42.059 -0.051 0.000 0.899 9 L HN 0.024 nan 8.230 nan 0.000 0.433 10 D N -0.136 120.199 120.400 -0.109 0.000 2.117 10 D HA -0.143 4.533 4.640 0.061 0.000 0.197 10 D C 2.339 178.433 176.300 -0.344 0.000 0.987 10 D CA 1.188 55.092 54.000 -0.161 0.000 0.829 10 D CB -0.074 40.698 40.800 -0.046 0.000 0.961 10 D HN 0.166 nan 8.370 nan 0.000 0.460 11 V N 1.635 121.314 119.914 -0.390 0.000 2.379 11 V HA -0.185 3.972 4.120 0.061 0.000 0.245 11 V C 2.607 178.359 176.094 -0.570 0.000 1.044 11 V CA 1.609 63.561 62.300 -0.581 0.000 1.036 11 V CB -0.699 30.906 31.823 -0.363 0.000 0.664 11 V HN 0.158 nan 8.190 nan 0.000 0.453 12 A N -0.555 121.930 122.820 -0.559 0.000 1.940 12 A HA -0.342 4.015 4.320 0.061 0.000 0.219 12 A C 2.206 179.576 177.584 -0.355 0.000 1.176 12 A CA 2.353 53.815 52.037 -0.957 0.000 0.631 12 A CB -0.541 17.767 19.000 -1.155 0.000 0.814 12 A HN 0.606 nan 8.150 nan 0.000 0.446 13 Q N -0.637 119.011 119.800 -0.254 0.000 2.079 13 Q HA -0.032 4.345 4.340 0.061 0.000 0.200 13 Q C 2.092 178.027 176.000 -0.108 0.000 0.974 13 Q CA 1.679 57.410 55.803 -0.120 0.000 0.840 13 Q CB -0.393 28.273 28.738 -0.120 0.000 0.898 13 Q HN 0.593 nan 8.270 nan 0.000 0.430 14 A N -0.517 122.157 122.820 -0.244 0.000 1.972 14 A HA -0.142 4.215 4.320 0.061 0.000 0.219 14 A C 1.309 178.845 177.584 -0.080 0.000 1.169 14 A CA 1.067 52.944 52.037 -0.266 0.000 0.635 14 A CB -0.690 17.995 19.000 -0.526 0.000 0.810 14 A HN 0.635 nan 8.150 nan 0.000 0.446 15 Y N -1.116 119.212 120.300 0.047 0.000 2.461 15 Y HA 0.041 4.629 4.550 0.064 0.000 0.277 15 Y C -0.365 175.660 175.900 0.207 0.000 1.182 15 Y CA -1.004 57.199 58.100 0.172 0.000 1.276 15 Y CB 0.238 38.941 38.460 0.404 0.000 1.087 15 Y HN -0.520 nan 8.280 nan 0.000 0.519 16 Q N 0.133 120.099 119.800 0.277 0.000 2.452 16 Q HA -0.165 4.211 4.340 0.061 0.000 0.318 16 Q C -0.912 175.247 176.000 0.265 0.000 1.386 16 Q CA -0.275 55.643 55.803 0.192 0.000 0.872 16 Q CB -1.013 27.775 28.738 0.084 0.000 1.151 16 Q HN 0.040 nan 8.270 nan 0.000 0.417 17 F N 0.974 120.951 119.950 0.044 0.000 2.553 17 F HA 0.088 4.649 4.527 0.057 0.000 0.356 17 F C -1.216 174.588 175.800 0.008 0.000 1.142 17 F CA -3.119 54.903 58.000 0.037 0.000 1.322 17 F CB -0.065 38.972 39.000 0.061 0.000 1.126 17 F HN -0.358 nan 8.300 nan 0.000 0.599 18 P HA 0.045 nan 4.420 nan 0.000 0.271 18 P C -0.454 176.891 177.300 0.074 0.000 1.226 18 P CA -0.002 63.124 63.100 0.044 0.000 0.765 18 P CB 0.470 32.160 31.700 -0.017 0.000 0.835 19 E N 1.800 122.032 120.200 0.053 0.000 2.371 19 E HA 0.278 4.665 4.350 0.061 0.000 0.257 19 E C 1.484 178.101 176.600 0.028 0.000 1.134 19 E CA 0.262 56.688 56.400 0.044 0.000 0.919 19 E CB 0.244 29.962 29.700 0.029 0.000 1.025 19 E HN 0.710 nan 8.360 nan 0.000 0.438 20 G N 0.797 109.611 108.800 0.024 0.000 2.155 20 G HA2 -0.283 3.714 3.960 0.061 0.000 0.257 20 G HA3 -0.283 3.714 3.960 0.061 0.000 0.257 20 G C -0.012 174.896 174.900 0.015 0.000 0.983 20 G CA 0.579 45.687 45.100 0.015 0.000 0.676 20 G HN 0.277 nan 8.290 nan 0.000 0.528 21 L N 0.366 121.603 121.223 0.025 0.000 2.410 21 L HA 0.590 4.966 4.340 0.061 0.000 0.270 21 L C -0.069 176.822 176.870 0.036 0.000 0.983 21 L CA -0.405 54.449 54.840 0.022 0.000 0.822 21 L CB 2.054 44.122 42.059 0.016 0.000 1.285 21 L HN 0.191 nan 8.230 nan 0.000 0.409 22 D N 0.674 121.089 120.400 0.025 0.000 2.556 22 D HA 0.204 4.881 4.640 0.061 0.000 0.237 22 D C 0.945 177.258 176.300 0.022 0.000 1.296 22 D CA 0.402 54.419 54.000 0.028 0.000 0.807 22 D CB 1.100 41.906 40.800 0.011 0.000 1.084 22 D HN 0.674 nan 8.370 nan 0.000 0.510 23 G N 0.680 109.492 108.800 0.020 0.000 2.175 23 G HA2 -0.310 3.686 3.960 0.061 0.000 0.244 23 G HA3 -0.310 3.686 3.960 0.061 0.000 0.244 23 G C 0.186 175.091 174.900 0.008 0.000 0.982 23 G CA 0.055 45.165 45.100 0.017 0.000 0.641 23 G HN 0.522 nan 8.290 nan 0.000 0.527 24 Q N 0.260 120.062 119.800 0.004 0.000 2.398 24 Q HA 0.393 4.770 4.340 0.061 0.000 0.329 24 Q C 1.623 177.626 176.000 0.005 0.000 1.079 24 Q CA 2.320 58.123 55.803 0.001 0.000 1.041 24 Q CB -0.097 28.640 28.738 -0.000 0.000 1.084 24 Q HN 1.871 nan 8.270 nan 0.000 0.386 25 G N 2.652 111.456 108.800 0.007 0.000 2.179 25 G HA2 -0.226 3.771 3.960 0.061 0.000 0.260 25 G HA3 -0.226 3.771 3.960 0.061 0.000 0.260 25 G C -0.169 174.740 174.900 0.016 0.000 0.977 25 G CA 0.278 45.385 45.100 0.011 0.000 0.641 25 G HN 0.563 nan 8.290 nan 0.000 0.533 26 Q N -0.709 119.102 119.800 0.018 0.000 2.248 26 Q HA 0.658 5.034 4.340 0.061 0.000 0.263 26 Q C -0.257 175.765 176.000 0.035 0.000 1.007 26 Q CA -0.510 55.308 55.803 0.025 0.000 0.877 26 Q CB 2.042 30.793 28.738 0.022 0.000 1.315 26 Q HN 0.559 nan 8.270 nan 0.000 0.454 27 C N 2.787 122.116 119.300 0.048 0.000 2.364 27 C HA 0.637 5.134 4.460 0.061 0.000 0.324 27 C C -0.638 174.394 174.990 0.071 0.000 1.234 27 C CA -0.524 58.535 59.018 0.067 0.000 1.417 27 C CB -0.462 27.337 27.740 0.100 0.000 2.101 27 C HN 0.745 nan 8.230 nan 0.000 0.466 28 I N 5.963 126.573 120.570 0.067 0.000 2.312 28 I HA 0.482 4.689 4.170 0.061 0.000 0.290 28 I C 0.755 176.929 176.117 0.096 0.000 1.008 28 I CA 0.045 61.386 61.300 0.069 0.000 1.226 28 I CB 1.427 39.460 38.000 0.056 0.000 1.371 28 I HN 0.825 nan 8.210 nan 0.000 0.468 29 A N 7.952 130.842 122.820 0.116 0.000 2.310 29 A HA 0.836 5.192 4.320 0.061 0.000 0.299 29 A C -0.513 177.150 177.584 0.132 0.000 1.147 29 A CA -0.330 51.823 52.037 0.193 0.000 0.818 29 A CB 0.512 19.580 19.000 0.112 0.000 1.096 29 A HN 0.684 nan 8.150 nan 0.000 0.495 30 I N 2.799 123.470 120.570 0.168 0.000 2.533 30 I HA 0.295 4.502 4.170 0.061 0.000 0.290 30 I C -0.814 175.366 176.117 0.106 0.000 1.056 30 I CA -0.497 60.864 61.300 0.102 0.000 1.057 30 I CB 1.851 39.878 38.000 0.046 0.000 1.240 30 I HN 0.397 nan 8.210 nan 0.000 0.423 31 I N 5.427 126.056 120.570 0.098 0.000 2.365 31 I HA 0.399 4.606 4.170 0.061 0.000 0.291 31 I C -0.036 176.038 176.117 -0.072 0.000 1.004 31 I CA -0.408 60.911 61.300 0.033 0.000 1.311 31 I CB 1.051 39.114 38.000 0.105 0.000 1.401 31 I HN 0.527 nan 8.210 nan 0.000 0.491 32 E N 5.894 125.922 120.200 -0.287 0.000 2.256 32 E HA 0.292 4.678 4.350 0.061 0.000 0.268 32 E C -0.238 175.986 176.600 -0.626 0.000 0.877 32 E CA -0.696 55.485 56.400 -0.365 0.000 0.757 32 E CB 2.855 32.388 29.700 -0.279 0.000 1.183 32 E HN 0.253 nan 8.360 nan 0.000 0.418 33 L N 0.996 121.408 121.223 -1.353 0.000 2.640 33 L HA 0.376 4.753 4.340 0.061 0.000 0.230 33 L C 0.739 177.264 176.870 -0.575 0.000 1.123 33 L CA 0.402 54.547 54.840 -1.159 0.000 0.900 33 L CB 0.033 41.008 42.059 -1.807 0.000 1.146 33 L HN 0.666 nan 8.230 nan 0.000 0.484 34 G N -3.138 105.543 108.800 -0.198 0.000 2.441 34 G HA2 0.504 4.500 3.960 0.061 0.000 0.294 34 G HA3 0.504 4.500 3.960 0.061 0.000 0.294 34 G C -0.210 174.862 174.900 0.288 0.000 1.393 34 G CA 0.199 45.364 45.100 0.109 0.000 0.796 34 G HN 0.296 nan 8.290 nan 0.000 0.494 35 G N -1.367 107.552 108.800 0.198 0.000 2.598 35 G HA2 0.528 4.524 3.960 0.061 0.000 0.244 35 G HA3 0.528 4.524 3.960 0.061 0.000 0.244 35 G C 0.646 175.637 174.900 0.151 0.000 1.302 35 G CA 0.950 46.157 45.100 0.179 0.000 0.903 35 G HN 2.684 nan 8.290 nan 0.000 0.575 36 G N -2.545 106.355 108.800 0.166 0.000 2.488 36 G HA2 0.844 4.840 3.960 0.061 0.000 0.301 36 G HA3 0.844 4.840 3.960 0.061 0.000 0.301 36 G C -1.213 173.792 174.900 0.175 0.000 1.339 36 G CA 0.306 45.450 45.100 0.074 0.000 0.803 36 G HN 2.240 nan 8.290 nan 0.000 0.482 37 Y N -0.360 120.006 120.300 0.111 0.000 2.477 37 Y HA 0.766 5.352 4.550 0.060 0.000 0.347 37 Y C -1.011 174.911 175.900 0.037 0.000 0.981 37 Y CA -1.750 56.401 58.100 0.084 0.000 1.033 37 Y CB 2.018 40.553 38.460 0.125 0.000 1.245 37 Y HN 0.676 nan 8.280 nan 0.000 0.455 38 D N 1.354 121.862 120.400 0.179 0.000 2.192 38 D HA 0.293 4.970 4.640 0.061 0.000 0.246 38 D C 0.003 176.424 176.300 0.201 0.000 1.042 38 D CA -0.487 53.574 54.000 0.102 0.000 0.847 38 D CB 2.009 42.835 40.800 0.043 0.000 1.186 38 D HN 0.622 nan 8.370 nan 0.000 0.461 39 E N 0.781 121.091 120.200 0.183 0.000 2.268 39 E HA -0.090 4.296 4.350 0.061 0.000 0.195 39 E C 1.919 178.588 176.600 0.116 0.000 0.995 39 E CA 1.525 58.036 56.400 0.184 0.000 0.836 39 E CB -0.249 29.551 29.700 0.167 0.000 0.763 39 E HN 0.768 nan 8.360 nan 0.000 0.491 40 T N -1.355 113.248 114.554 0.081 0.000 2.622 40 T HA -0.207 4.180 4.350 0.061 0.000 0.266 40 T C 2.064 176.794 174.700 0.049 0.000 1.047 40 T CA 1.740 63.874 62.100 0.058 0.000 1.159 40 T CB -0.713 68.178 68.868 0.040 0.000 0.863 40 T HN 0.182 nan 8.240 nan 0.000 0.422 41 S N 2.008 117.731 115.700 0.039 0.000 2.442 41 S HA 0.107 4.614 4.470 0.061 0.000 0.236 41 S C 2.087 176.673 174.600 -0.024 0.000 1.007 41 S CA 0.808 59.016 58.200 0.013 0.000 0.965 41 S CB -0.788 62.410 63.200 -0.004 0.000 0.773 41 S HN 0.480 nan 8.310 nan 0.000 0.504 42 L N 1.002 122.210 121.223 -0.025 0.000 2.095 42 L HA 0.043 4.420 4.340 0.061 0.000 0.204 42 L C 3.088 179.926 176.870 -0.052 0.000 1.080 42 L CA 1.049 55.802 54.840 -0.145 0.000 0.759 42 L CB -0.876 41.176 42.059 -0.011 0.000 0.914 42 L HN 0.412 nan 8.230 nan 0.000 0.439 43 A N -0.256 122.625 122.820 0.102 0.000 1.877 43 A HA -0.296 4.060 4.320 0.061 0.000 0.216 43 A C 2.255 179.905 177.584 0.110 0.000 1.186 43 A CA 1.964 54.096 52.037 0.159 0.000 0.620 43 A CB -0.663 18.409 19.000 0.120 0.000 0.822 43 A HN 0.480 nan 8.150 nan 0.000 0.443 44 Q N -1.901 117.937 119.800 0.063 0.000 2.061 44 Q HA -0.255 4.121 4.340 0.061 0.000 0.204 44 Q C 2.005 178.023 176.000 0.030 0.000 0.984 44 Q CA 2.187 58.017 55.803 0.045 0.000 0.846 44 Q CB -0.363 28.400 28.738 0.040 0.000 0.902 44 Q HN 0.756 nan 8.270 nan 0.000 0.421 45 Y N -0.147 120.071 120.300 -0.136 0.000 2.181 45 Y HA -0.258 4.329 4.550 0.062 0.000 0.288 45 Y C 1.695 177.513 175.900 -0.137 0.000 1.146 45 Y CA 1.847 59.827 58.100 -0.199 0.000 1.164 45 Y CB -0.209 38.034 38.460 -0.361 0.000 0.982 45 Y HN 0.156 nan 8.280 nan 0.000 0.515 46 F N -0.345 119.657 119.950 0.086 0.000 2.186 46 F HA -0.087 4.475 4.527 0.059 0.000 0.299 46 F C 2.546 178.314 175.800 -0.054 0.000 1.090 46 F CA 0.886 58.891 58.000 0.008 0.000 1.307 46 F CB -1.412 37.624 39.000 0.060 0.000 1.019 46 F HN 0.133 nan 8.300 nan 0.000 0.489 47 A N 0.068 122.977 122.820 0.148 0.000 1.877 47 A HA -0.221 4.135 4.320 0.061 0.000 0.216 47 A C 2.434 180.015 177.584 -0.006 0.000 1.186 47 A CA 2.269 54.345 52.037 0.065 0.000 0.620 47 A CB -1.336 17.697 19.000 0.054 0.000 0.822 47 A HN 0.397 nan 8.150 nan 0.000 0.443 48 S N -0.230 115.429 115.700 -0.067 0.000 2.419 48 S HA -0.078 4.429 4.470 0.061 0.000 0.235 48 S C 1.564 176.076 174.600 -0.147 0.000 1.019 48 S CA 1.571 59.698 58.200 -0.122 0.000 0.982 48 S CB -0.548 62.539 63.200 -0.189 0.000 0.789 48 S HN 0.443 nan 8.310 nan 0.000 0.490 49 L N 0.796 121.919 121.223 -0.165 0.000 2.592 49 L HA 0.323 4.700 4.340 0.061 0.000 0.227 49 L C 1.731 178.575 176.870 -0.043 0.000 1.127 49 L CA 0.242 55.007 54.840 -0.124 0.000 0.884 49 L CB -0.625 41.351 42.059 -0.138 0.000 1.065 49 L HN 0.583 nan 8.230 nan 0.000 0.457 50 G N 1.415 110.202 108.800 -0.022 0.000 2.225 50 G HA2 -0.256 3.740 3.960 0.061 0.000 0.267 50 G HA3 -0.256 3.740 3.960 0.061 0.000 0.267 50 G C 0.207 175.109 174.900 0.003 0.000 1.024 50 G CA 0.465 45.561 45.100 -0.006 0.000 0.784 50 G HN 0.300 nan 8.290 nan 0.000 0.507 51 V N -2.414 117.512 119.914 0.020 0.000 2.769 51 V HA 0.895 5.051 4.120 0.061 0.000 0.312 51 V C 0.686 176.770 176.094 -0.017 0.000 1.058 51 V CA -0.339 61.961 62.300 -0.000 0.000 0.952 51 V CB 1.856 33.681 31.823 0.003 0.000 1.019 51 V HN 1.264 nan 8.190 nan 0.000 0.445 52 S N 3.663 119.333 115.700 -0.050 0.000 2.465 52 S HA 0.545 5.051 4.470 0.061 0.000 0.280 52 S C 0.566 175.072 174.600 -0.156 0.000 1.232 52 S CA -0.041 58.122 58.200 -0.062 0.000 1.066 52 S CB -0.231 62.938 63.200 -0.051 0.000 0.929 52 S HN 2.096 nan 8.310 nan 0.000 0.494 53 A N 7.571 130.303 122.820 -0.147 0.000 2.561 53 A HA 0.336 4.692 4.320 0.061 0.000 0.251 53 A C -1.499 175.885 177.584 -0.334 0.000 1.062 53 A CA -0.817 51.017 52.037 -0.338 0.000 0.761 53 A CB -0.494 18.510 19.000 0.006 0.000 0.986 53 A HN 0.823 nan 8.150 nan 0.000 0.510 54 P HA 0.138 nan 4.420 nan 0.000 0.274 54 P C -0.612 176.603 177.300 -0.141 0.000 1.231 54 P CA -0.364 62.570 63.100 -0.278 0.000 0.790 54 P CB 0.563 32.081 31.700 -0.304 0.000 0.951 55 Q N 0.692 120.451 119.800 -0.067 0.000 2.297 55 Q HA 0.393 4.770 4.340 0.061 0.000 0.267 55 Q C -1.077 174.916 176.000 -0.012 0.000 1.006 55 Q CA -0.538 55.256 55.803 -0.014 0.000 0.896 55 Q CB 0.499 29.243 28.738 0.010 0.000 1.186 55 Q HN 0.147 nan 8.270 nan 0.000 0.392 56 V N 4.347 124.265 119.914 0.006 0.000 2.495 56 V HA 0.603 4.759 4.120 0.061 0.000 0.298 56 V C -0.748 175.371 176.094 0.042 0.000 1.031 56 V CA -0.818 61.467 62.300 -0.026 0.000 0.871 56 V CB 1.704 33.456 31.823 -0.117 0.000 0.988 56 V HN 0.722 nan 8.190 nan 0.000 0.432 57 V N 4.055 123.983 119.914 0.025 0.000 2.841 57 V HA 0.673 4.829 4.120 0.061 0.000 0.310 57 V C -0.283 175.839 176.094 0.048 0.000 1.090 57 V CA -0.036 62.303 62.300 0.067 0.000 0.930 57 V CB 2.863 34.692 31.823 0.010 0.000 1.014 57 V HN 0.887 nan 8.190 nan 0.000 0.425 58 S N 4.236 120.036 115.700 0.166 0.000 2.508 58 S HA 0.754 5.260 4.470 0.061 0.000 0.284 58 S C -0.591 174.012 174.600 0.004 0.000 1.192 58 S CA -0.454 57.874 58.200 0.213 0.000 1.070 58 S CB 1.576 64.995 63.200 0.365 0.000 1.004 58 S HN 0.705 nan 8.310 nan 0.000 0.493 59 V N 2.393 122.243 119.914 -0.108 0.000 2.555 59 V HA 0.496 4.652 4.120 0.061 0.000 0.302 59 V C 0.137 176.262 176.094 0.053 0.000 1.038 59 V CA -0.723 61.489 62.300 -0.148 0.000 0.887 59 V CB 2.010 33.542 31.823 -0.485 0.000 0.991 59 V HN 0.827 nan 8.190 nan 0.000 0.434 60 S N 3.663 119.408 115.700 0.075 0.000 2.475 60 S HA 0.644 5.151 4.470 0.061 0.000 0.281 60 S C -0.684 173.984 174.600 0.114 0.000 1.198 60 S CA -0.399 57.862 58.200 0.102 0.000 1.063 60 S CB 0.823 64.055 63.200 0.054 0.000 0.972 60 S HN 0.502 nan 8.310 nan 0.000 0.486 61 V N 5.032 125.024 119.914 0.130 0.000 2.540 61 V HA 0.362 4.519 4.120 0.061 0.000 0.302 61 V C -0.579 175.565 176.094 0.083 0.000 1.035 61 V CA -0.808 61.564 62.300 0.121 0.000 0.873 61 V CB 1.620 33.532 31.823 0.149 0.000 0.992 61 V HN 0.997 nan 8.190 nan 0.000 0.428 62 D N 4.012 124.452 120.400 0.066 0.000 2.692 62 D HA -0.204 4.473 4.640 0.061 0.000 0.233 62 D C 1.380 177.701 176.300 0.036 0.000 1.172 62 D CA 1.697 55.725 54.000 0.046 0.000 0.636 62 D CB -1.142 39.684 40.800 0.044 0.000 1.028 62 D HN 1.443 nan 8.370 nan 0.000 0.419 63 G N -1.562 107.259 108.800 0.034 0.000 2.189 63 G HA2 -0.201 3.795 3.960 0.061 0.000 0.267 63 G HA3 -0.201 3.795 3.960 0.061 0.000 0.267 63 G C 0.591 175.498 174.900 0.013 0.000 0.975 63 G CA 0.850 45.961 45.100 0.018 0.000 0.644 63 G HN 1.243 nan 8.290 nan 0.000 0.537 64 A N -0.723 122.117 122.820 0.034 0.000 2.366 64 A HA 0.759 5.115 4.320 0.061 0.000 0.249 64 A C 0.547 178.138 177.584 0.011 0.000 1.084 64 A CA 1.358 53.414 52.037 0.031 0.000 0.794 64 A CB 0.786 19.832 19.000 0.078 0.000 1.034 64 A HN 0.845 nan 8.150 nan 0.000 0.491 65 T N 0.256 114.753 114.554 -0.095 0.000 2.864 65 T HA 0.335 4.722 4.350 0.061 0.000 0.299 65 T C -0.450 173.807 174.700 -0.738 0.000 1.166 65 T CA -0.576 61.363 62.100 -0.269 0.000 1.007 65 T CB 1.100 69.846 68.868 -0.204 0.000 1.219 65 T HN 0.752 nan 8.240 nan 0.000 0.506 66 N N 2.504 120.568 118.700 -1.061 0.000 2.400 66 N HA 0.093 4.870 4.740 0.061 0.000 0.267 66 N C -0.729 174.324 175.510 -0.762 0.000 1.208 66 N CA 0.413 52.522 53.050 -1.570 0.000 0.951 66 N CB -0.014 37.767 38.487 -1.176 0.000 1.227 66 N HN 0.449 nan 8.380 nan 0.000 0.488 67 Q N 4.280 123.738 119.800 -0.570 0.000 2.932 67 Q HA 0.293 4.669 4.340 0.061 0.000 0.248 67 Q C -2.402 173.498 176.000 -0.167 0.000 0.982 67 Q CA -1.758 53.870 55.803 -0.292 0.000 0.730 67 Q CB 1.875 30.490 28.738 -0.205 0.000 1.249 67 Q HN 0.569 nan 8.270 nan 0.000 0.476 68 P HA -0.057 nan 4.420 nan 0.000 0.268 68 P C 0.634 177.912 177.300 -0.037 0.000 1.204 68 P CA 0.305 63.375 63.100 -0.051 0.000 0.768 68 P CB 1.176 32.848 31.700 -0.046 0.000 0.842 69 T N -1.347 113.203 114.554 -0.005 0.000 3.107 69 T HA 0.237 4.623 4.350 0.061 0.000 0.249 69 T C 1.405 176.103 174.700 -0.003 0.000 1.096 69 T CA 0.637 62.733 62.100 -0.005 0.000 1.012 69 T CB -0.801 68.073 68.868 0.011 0.000 0.977 69 T HN 0.637 nan 8.240 nan 0.000 0.527 70 G N 1.364 110.163 108.800 -0.001 0.000 2.205 70 G HA2 -0.255 3.742 3.960 0.061 0.000 0.261 70 G HA3 -0.255 3.742 3.960 0.061 0.000 0.261 70 G C -0.121 174.781 174.900 0.004 0.000 0.980 70 G CA 0.142 45.242 45.100 -0.000 0.000 0.632 70 G HN 0.726 nan 8.290 nan 0.000 0.533 71 D N 1.259 121.664 120.400 0.009 0.000 2.380 71 D HA 0.439 5.116 4.640 0.061 0.000 0.230 71 D C -0.165 176.140 176.300 0.009 0.000 1.154 71 D CA -2.022 51.983 54.000 0.009 0.000 0.859 71 D CB 1.305 42.112 40.800 0.011 0.000 1.045 71 D HN 0.169 nan 8.370 nan 0.000 0.495 72 P HA -0.126 nan 4.420 nan 0.000 0.226 72 P C 0.476 177.774 177.300 -0.005 0.000 1.146 72 P CA 0.678 63.776 63.100 -0.002 0.000 0.773 72 P CB 0.503 32.200 31.700 -0.005 0.000 0.772 73 N N -0.685 118.015 118.700 -0.000 0.000 2.236 73 N HA 0.075 4.852 4.740 0.061 0.000 0.196 73 N C 1.210 176.721 175.510 0.001 0.000 1.114 73 N CA 0.278 53.327 53.050 -0.002 0.000 0.859 73 N CB 0.576 39.064 38.487 0.002 0.000 0.982 73 N HN 0.165 nan 8.380 nan 0.000 0.493 74 G N 1.222 110.028 108.800 0.009 0.000 2.641 74 G HA2 0.203 4.199 3.960 0.061 0.000 0.239 74 G HA3 0.203 4.199 3.960 0.061 0.000 0.239 74 G C -1.470 173.445 174.900 0.024 0.000 1.402 74 G CA -0.523 44.590 45.100 0.020 0.000 1.046 74 G HN -0.094 nan 8.290 nan 0.000 0.565 75 P HA -0.099 nan 4.420 nan 0.000 0.220 75 P C 0.530 177.904 177.300 0.124 0.000 1.144 75 P CA 1.163 64.329 63.100 0.110 0.000 0.800 75 P CB 0.175 32.019 31.700 0.240 0.000 0.772 76 D N 0.338 120.797 120.400 0.098 0.000 2.144 76 D HA -0.108 4.569 4.640 0.061 0.000 0.199 76 D C 2.406 178.739 176.300 0.056 0.000 0.984 76 D CA 1.655 55.715 54.000 0.100 0.000 0.834 76 D CB -1.165 39.674 40.800 0.065 0.000 0.955 76 D HN 0.200 nan 8.370 nan 0.000 0.465 77 G N 0.675 109.483 108.800 0.014 0.000 2.469 77 G HA2 -0.339 3.658 3.960 0.061 0.000 0.219 77 G HA3 -0.339 3.658 3.960 0.061 0.000 0.219 77 G C 1.639 176.510 174.900 -0.049 0.000 1.150 77 G CA 1.204 46.286 45.100 -0.028 0.000 0.763 77 G HN 0.290 nan 8.290 nan 0.000 0.561 78 E N 0.125 120.295 120.200 -0.049 0.000 2.047 78 E HA -0.066 4.321 4.350 0.061 0.000 0.191 78 E C 2.661 179.260 176.600 -0.000 0.000 0.987 78 E CA 1.084 57.431 56.400 -0.089 0.000 0.799 78 E CB -0.382 29.188 29.700 -0.216 0.000 0.752 78 E HN 0.200 nan 8.360 nan 0.000 0.449 79 V N 1.157 121.134 119.914 0.105 0.000 2.295 79 V HA -0.245 3.911 4.120 0.061 0.000 0.246 79 V C 2.195 178.334 176.094 0.076 0.000 1.049 79 V CA 2.360 64.757 62.300 0.162 0.000 1.024 79 V CB -0.587 31.424 31.823 0.314 0.000 0.648 79 V HN 0.312 nan 8.190 nan 0.000 0.447 80 E N -0.104 120.120 120.200 0.040 0.000 2.208 80 E HA -0.109 4.277 4.350 0.061 0.000 0.193 80 E C 2.185 178.689 176.600 -0.160 0.000 0.988 80 E CA 0.790 57.158 56.400 -0.053 0.000 0.828 80 E CB -0.116 29.551 29.700 -0.055 0.000 0.763 80 E HN 0.479 nan 8.360 nan 0.000 0.478 81 L N 1.611 122.747 121.223 -0.144 0.000 2.027 81 L HA -0.155 4.222 4.340 0.061 0.000 0.206 81 L C 1.290 178.050 176.870 -0.183 0.000 1.074 81 L CA 1.972 56.693 54.840 -0.199 0.000 0.745 81 L CB -0.620 41.338 42.059 -0.169 0.000 0.898 81 L HN -0.027 nan 8.230 nan 0.000 0.433 82 D N 0.759 121.088 120.400 -0.119 0.000 2.092 82 D HA -0.200 4.476 4.640 0.061 0.000 0.193 82 D C 2.405 178.666 176.300 -0.065 0.000 0.994 82 D CA 1.430 55.380 54.000 -0.084 0.000 0.828 82 D CB -0.080 40.705 40.800 -0.025 0.000 0.963 82 D HN 0.311 nan 8.370 nan 0.000 0.450 83 I N 1.140 121.671 120.570 -0.065 0.000 2.179 83 I HA -0.184 4.023 4.170 0.061 0.000 0.242 83 I C 2.191 178.332 176.117 0.039 0.000 1.088 83 I CA 1.175 62.454 61.300 -0.035 0.000 1.357 83 I CB -1.024 36.911 38.000 -0.108 0.000 1.051 83 I HN 0.110 nan 8.210 nan 0.000 0.409 84 E N 0.362 120.494 120.200 -0.114 0.000 2.106 84 E HA -0.141 4.246 4.350 0.061 0.000 0.192 84 E C 2.388 179.021 176.600 0.056 0.000 0.984 84 E CA 1.030 57.326 56.400 -0.174 0.000 0.806 84 E CB 0.063 29.336 29.700 -0.712 0.000 0.750 84 E HN 0.253 nan 8.360 nan 0.000 0.458 85 V N 1.061 120.942 119.914 -0.055 0.000 2.323 85 V HA -0.217 3.940 4.120 0.061 0.000 0.244 85 V C 2.248 178.364 176.094 0.038 0.000 1.041 85 V CA 1.816 64.085 62.300 -0.051 0.000 1.025 85 V CB -0.575 31.108 31.823 -0.235 0.000 0.656 85 V HN 0.307 nan 8.190 nan 0.000 0.451 86 A N 0.472 123.316 122.820 0.039 0.000 1.898 86 A HA -0.028 4.328 4.320 0.061 0.000 0.216 86 A C 2.383 180.031 177.584 0.106 0.000 1.181 86 A CA 1.836 53.917 52.037 0.073 0.000 0.620 86 A CB -1.164 17.866 19.000 0.050 0.000 0.819 86 A HN 0.516 nan 8.150 nan 0.000 0.442 87 G N -0.663 108.233 108.800 0.159 0.000 2.403 87 G HA2 0.090 4.086 3.960 0.061 0.000 0.216 87 G HA3 0.090 4.086 3.960 0.061 0.000 0.216 87 G C 1.687 176.646 174.900 0.098 0.000 1.154 87 G CA 1.210 46.368 45.100 0.096 0.000 0.784 87 G HN 0.756 nan 8.290 nan 0.000 0.538 88 A N 0.171 123.221 122.820 0.384 0.000 1.972 88 A HA 0.122 4.478 4.320 0.061 0.000 0.219 88 A C 2.156 179.821 177.584 0.136 0.000 1.169 88 A CA 1.177 53.415 52.037 0.334 0.000 0.635 88 A CB -0.196 19.049 19.000 0.408 0.000 0.810 88 A HN 0.303 nan 8.150 nan 0.000 0.446 89 L N -2.081 119.212 121.223 0.117 0.000 2.477 89 L HA 0.329 4.706 4.340 0.061 0.000 0.220 89 L C 1.526 178.468 176.870 0.120 0.000 1.106 89 L CA 1.099 56.000 54.840 0.102 0.000 0.851 89 L CB -0.210 41.919 42.059 0.116 0.000 0.994 89 L HN 0.354 nan 8.230 nan 0.000 0.462 90 A N -0.492 122.376 122.820 0.081 0.000 2.959 90 A HA 0.433 4.790 4.320 0.061 0.000 0.280 90 A C -1.505 176.071 177.584 -0.013 0.000 0.953 90 A CA -0.543 51.526 52.037 0.053 0.000 1.047 90 A CB -0.145 18.895 19.000 0.067 0.000 1.147 90 A HN 0.058 nan 8.150 nan 0.000 0.489 91 P HA -0.185 nan 4.420 nan 0.000 0.220 91 P C 1.449 178.686 177.300 -0.105 0.000 1.144 91 P CA 2.027 65.042 63.100 -0.141 0.000 0.800 91 P CB 0.005 31.621 31.700 -0.141 0.000 0.772 92 G N -0.539 108.230 108.800 -0.050 0.000 2.650 92 G HA2 0.182 4.178 3.960 0.061 0.000 0.214 92 G HA3 0.182 4.178 3.960 0.061 0.000 0.214 92 G C 0.782 175.667 174.900 -0.026 0.000 1.136 92 G CA 0.431 45.510 45.100 -0.035 0.000 0.789 92 G HN 0.522 nan 8.290 nan 0.000 0.536 93 A N -0.017 122.789 122.820 -0.023 0.000 2.304 93 A HA 0.664 5.020 4.320 0.061 0.000 0.271 93 A C 0.075 177.650 177.584 -0.016 0.000 1.091 93 A CA -0.434 51.599 52.037 -0.007 0.000 0.812 93 A CB 0.676 19.682 19.000 0.010 0.000 1.056 93 A HN 0.227 nan 8.150 nan 0.000 0.489 94 K N 0.967 121.372 120.400 0.008 0.000 2.183 94 K HA 0.474 4.831 4.320 0.061 0.000 0.274 94 K C -0.930 175.682 176.600 0.019 0.000 1.009 94 K CA -0.320 55.975 56.287 0.014 0.000 0.888 94 K CB 1.161 33.688 32.500 0.045 0.000 1.078 94 K HN 0.478 nan 8.250 nan 0.000 0.459 95 I N 2.488 123.057 120.570 -0.002 0.000 2.354 95 I HA 0.316 4.523 4.170 0.061 0.000 0.292 95 I C -0.074 176.022 176.117 -0.035 0.000 0.989 95 I CA -0.632 60.663 61.300 -0.008 0.000 1.188 95 I CB 1.188 39.170 38.000 -0.031 0.000 1.342 95 I HN 0.616 nan 8.210 nan 0.000 0.457 96 A N 7.104 129.912 122.820 -0.021 0.000 2.304 96 A HA 0.692 5.049 4.320 0.061 0.000 0.314 96 A C -0.576 176.935 177.584 -0.121 0.000 1.187 96 A CA -0.502 51.442 52.037 -0.156 0.000 0.810 96 A CB 1.060 19.969 19.000 -0.151 0.000 1.183 96 A HN 0.431 nan 8.150 nan 0.000 0.487 97 V N 3.317 123.086 119.914 -0.242 0.000 2.347 97 V HA 0.293 4.450 4.120 0.061 0.000 0.280 97 V C -1.127 174.713 176.094 -0.423 0.000 1.021 97 V CA -0.416 61.751 62.300 -0.222 0.000 0.847 97 V CB 0.335 32.076 31.823 -0.136 0.000 0.990 97 V HN 0.709 nan 8.190 nan 0.000 0.444 98 Y N 4.524 124.658 120.300 -0.277 0.000 2.367 98 Y HA 0.565 5.153 4.550 0.064 0.000 0.342 98 Y C -0.165 175.545 175.900 -0.316 0.000 0.979 98 Y CA -0.958 57.032 58.100 -0.183 0.000 1.161 98 Y CB 0.788 39.204 38.460 -0.072 0.000 1.155 98 Y HN 0.512 nan 8.280 nan 0.000 0.503 99 F N 2.683 122.670 119.950 0.062 0.000 2.404 99 F HA 0.697 5.264 4.527 0.066 0.000 0.354 99 F C 0.390 176.185 175.800 -0.008 0.000 1.122 99 F CA -0.545 57.456 58.000 0.001 0.000 1.080 99 F CB 0.986 39.974 39.000 -0.020 0.000 1.131 99 F HN 0.534 nan 8.300 nan 0.000 0.471 100 A N 5.035 127.900 122.820 0.076 0.000 2.479 100 A HA 0.856 5.213 4.320 0.061 0.000 0.296 100 A C -2.773 174.794 177.584 -0.028 0.000 1.121 100 A CA -1.991 50.067 52.037 0.035 0.000 0.743 100 A CB 1.542 20.557 19.000 0.025 0.000 1.323 100 A HN 0.395 nan 8.150 nan 0.000 0.415 101 P HA 0.042 nan 4.420 nan 0.000 0.272 101 P C -0.556 176.694 177.300 -0.084 0.000 1.223 101 P CA -0.121 62.958 63.100 -0.035 0.000 0.784 101 P CB 0.432 32.128 31.700 -0.006 0.000 0.923 102 N N 1.397 120.037 118.700 -0.100 0.000 3.103 102 N HA 0.062 4.839 4.740 0.061 0.000 0.305 102 N C -0.532 174.944 175.510 -0.058 0.000 1.232 102 N CA -0.001 52.970 53.050 -0.132 0.000 1.190 102 N CB -0.815 37.609 38.487 -0.105 0.000 1.461 102 N HN 0.399 nan 8.380 nan 0.000 0.538 103 T N -2.800 111.742 114.554 -0.021 0.000 2.865 103 T HA 0.345 4.732 4.350 0.061 0.000 0.294 103 T C 0.567 175.326 174.700 0.098 0.000 1.119 103 T CA -0.789 61.322 62.100 0.019 0.000 1.007 103 T CB 1.132 70.014 68.868 0.023 0.000 1.225 103 T HN -0.138 nan 8.240 nan 0.000 0.515 104 D N 0.817 121.274 120.400 0.096 0.000 2.097 104 D HA -0.013 4.663 4.640 0.061 0.000 0.195 104 D C 2.369 178.808 176.300 0.233 0.000 0.989 104 D CA 1.971 56.100 54.000 0.216 0.000 0.827 104 D CB -0.749 40.159 40.800 0.179 0.000 0.966 104 D HN 0.746 nan 8.370 nan 0.000 0.456 105 A N 0.563 123.466 122.820 0.139 0.000 1.908 105 A HA -0.050 4.307 4.320 0.061 0.000 0.218 105 A C 2.365 180.021 177.584 0.120 0.000 1.181 105 A CA 2.182 54.285 52.037 0.110 0.000 0.627 105 A CB -1.120 17.922 19.000 0.068 0.000 0.818 105 A HN 0.316 nan 8.150 nan 0.000 0.445 106 G N -1.628 107.241 108.800 0.116 0.000 2.402 106 G HA2 -0.203 3.794 3.960 0.061 0.000 0.216 106 G HA3 -0.203 3.794 3.960 0.061 0.000 0.216 106 G C 1.543 176.547 174.900 0.173 0.000 1.162 106 G CA 0.897 46.057 45.100 0.100 0.000 0.777 106 G HN 0.519 nan 8.290 nan 0.000 0.539 107 F N 0.289 120.262 119.950 0.038 0.000 2.069 107 F HA -0.139 4.415 4.527 0.044 0.000 0.298 107 F C 2.467 178.304 175.800 0.062 0.000 1.113 107 F CA 1.057 59.098 58.000 0.069 0.000 1.214 107 F CB 0.029 39.153 39.000 0.206 0.000 0.978 107 F HN 0.179 nan 8.300 nan 0.000 0.474 108 L N 1.148 122.512 121.223 0.234 0.000 1.989 108 L HA -0.292 4.084 4.340 0.061 0.000 0.211 108 L C 1.736 178.628 176.870 0.035 0.000 1.071 108 L CA 2.313 57.171 54.840 0.030 0.000 0.749 108 L CB -1.216 40.854 42.059 0.019 0.000 0.890 108 L HN 0.132 nan 8.230 nan 0.000 0.431 109 N N -0.575 118.169 118.700 0.073 0.000 2.149 109 N HA -0.196 4.580 4.740 0.061 0.000 0.188 109 N C 1.848 177.400 175.510 0.070 0.000 1.019 109 N CA 1.037 54.123 53.050 0.059 0.000 0.857 109 N CB -0.301 38.226 38.487 0.066 0.000 0.997 109 N HN 0.551 nan 8.380 nan 0.000 0.426 110 A N 1.690 124.571 122.820 0.102 0.000 1.908 110 A HA -0.143 4.214 4.320 0.061 0.000 0.218 110 A C 2.061 179.639 177.584 -0.011 0.000 1.181 110 A CA 1.070 53.162 52.037 0.093 0.000 0.627 110 A CB -0.461 18.611 19.000 0.120 0.000 0.818 110 A HN 0.140 nan 8.150 nan 0.000 0.445 111 I N 0.778 121.364 120.570 0.026 0.000 2.142 111 I HA -0.213 3.993 4.170 0.061 0.000 0.240 111 I C 2.870 178.941 176.117 -0.077 0.000 1.078 111 I CA 2.327 63.602 61.300 -0.041 0.000 1.343 111 I CB -2.068 35.872 38.000 -0.099 0.000 1.046 111 I HN 0.564 nan 8.210 nan 0.000 0.405 112 T N -2.159 112.381 114.554 -0.023 0.000 2.867 112 T HA -0.126 4.261 4.350 0.061 0.000 0.268 112 T C 1.847 176.635 174.700 0.146 0.000 1.057 112 T CA 1.802 63.958 62.100 0.093 0.000 1.136 112 T CB -0.903 68.003 68.868 0.063 0.000 0.874 112 T HN 0.200 nan 8.240 nan 0.000 0.466 113 T N 1.828 116.415 114.554 0.054 0.000 2.788 113 T HA 0.151 4.538 4.350 0.061 0.000 0.268 113 T C 2.405 177.119 174.700 0.023 0.000 1.044 113 T CA 1.204 63.359 62.100 0.091 0.000 1.139 113 T CB -0.674 68.285 68.868 0.152 0.000 0.867 113 T HN 0.623 nan 8.240 nan 0.000 0.454 114 A N 0.807 123.438 122.820 -0.315 0.000 1.872 114 A HA 0.033 4.390 4.320 0.061 0.000 0.214 114 A C 2.545 180.000 177.584 -0.213 0.000 1.187 114 A CA 0.961 52.625 52.037 -0.622 0.000 0.614 114 A CB -0.921 17.321 19.000 -1.264 0.000 0.826 114 A HN 0.323 nan 8.150 nan 0.000 0.442 115 V N 0.030 119.825 119.914 -0.199 0.000 2.392 115 V HA -0.272 3.884 4.120 0.061 0.000 0.249 115 V C 1.907 177.815 176.094 -0.311 0.000 1.059 115 V CA 2.372 64.517 62.300 -0.258 0.000 1.051 115 V CB -1.058 30.541 31.823 -0.373 0.000 0.658 115 V HN 0.768 nan 8.190 nan 0.000 0.455 116 H N -1.649 117.410 119.070 -0.018 0.000 2.517 116 H HA 0.204 4.797 4.556 0.061 0.000 0.282 116 H C 0.475 175.827 175.328 0.041 0.000 1.023 116 H CA -0.375 55.678 56.048 0.007 0.000 1.169 116 H CB -0.094 29.667 29.762 -0.002 0.000 1.454 116 H HN 0.253 nan 8.280 nan 0.000 0.556 117 D N 2.813 123.301 120.400 0.147 0.000 2.368 117 D HA -0.034 4.643 4.640 0.061 0.000 0.268 117 D C -1.321 175.054 176.300 0.124 0.000 1.298 117 D CA -1.771 52.340 54.000 0.186 0.000 0.938 117 D CB 1.112 42.103 40.800 0.318 0.000 1.101 117 D HN 0.227 nan 8.370 nan 0.000 0.509 118 P HA -0.041 nan 4.420 nan 0.000 0.236 118 P C 0.928 178.217 177.300 -0.017 0.000 1.177 118 P CA 0.464 63.586 63.100 0.036 0.000 0.773 118 P CB 0.559 32.278 31.700 0.033 0.000 0.878 119 T N -1.095 113.415 114.554 -0.073 0.000 2.901 119 T HA -0.002 4.385 4.350 0.061 0.000 0.252 119 T C 1.624 176.118 174.700 -0.344 0.000 1.035 119 T CA 1.015 62.960 62.100 -0.257 0.000 1.142 119 T CB -0.527 68.092 68.868 -0.416 0.000 0.869 119 T HN 0.274 nan 8.240 nan 0.000 0.442 120 H N 0.835 119.959 119.070 0.090 0.000 2.562 120 H HA 0.286 4.879 4.556 0.062 0.000 0.267 120 H C 0.487 175.869 175.328 0.091 0.000 0.959 120 H CA 0.260 56.366 56.048 0.096 0.000 1.204 120 H CB 0.082 29.927 29.762 0.138 0.000 1.430 120 H HN 0.247 nan 8.280 nan 0.000 0.545 121 K N 1.599 122.091 120.400 0.152 0.000 3.602 121 K HA -0.135 4.222 4.320 0.061 0.000 0.274 121 K C -2.521 174.136 176.600 0.094 0.000 0.864 121 K CA 0.083 56.428 56.287 0.097 0.000 0.682 121 K CB -0.692 31.841 32.500 0.054 0.000 1.576 121 K HN 0.421 nan 8.250 nan 0.000 0.447 122 P HA 0.026 nan 4.420 nan 0.000 0.274 122 P C 0.120 177.442 177.300 0.035 0.000 1.231 122 P CA -0.217 62.933 63.100 0.082 0.000 0.790 122 P CB 1.610 33.369 31.700 0.098 0.000 0.951 123 S N 0.526 116.245 115.700 0.031 0.000 2.523 123 S HA 0.286 4.792 4.470 0.061 0.000 0.217 123 S C 0.642 175.251 174.600 0.015 0.000 0.996 123 S CA -0.204 58.005 58.200 0.015 0.000 0.921 123 S CB -0.171 63.038 63.200 0.016 0.000 0.829 123 S HN 0.389 nan 8.310 nan 0.000 0.495 124 I N 1.219 121.804 120.570 0.025 0.000 2.722 124 I HA 0.588 4.795 4.170 0.061 0.000 0.295 124 I C -1.470 174.666 176.117 0.032 0.000 1.161 124 I CA -1.186 60.131 61.300 0.029 0.000 1.032 124 I CB 2.524 40.547 38.000 0.039 0.000 1.244 124 I HN 0.019 nan 8.210 nan 0.000 0.421 125 V N 4.096 124.027 119.914 0.029 0.000 2.638 125 V HA 0.618 4.775 4.120 0.061 0.000 0.306 125 V C -1.003 175.123 176.094 0.055 0.000 1.052 125 V CA -0.026 62.294 62.300 0.033 0.000 0.885 125 V CB 2.104 33.930 31.823 0.005 0.000 0.999 125 V HN 0.771 nan 8.190 nan 0.000 0.424 126 S N 6.179 121.922 115.700 0.072 0.000 2.437 126 S HA 0.821 5.327 4.470 0.061 0.000 0.305 126 S C -0.885 173.789 174.600 0.124 0.000 1.109 126 S CA -0.480 57.768 58.200 0.080 0.000 1.099 126 S CB 0.829 64.068 63.200 0.065 0.000 1.004 126 S HN 0.634 nan 8.310 nan 0.000 0.475 127 I N 3.865 124.520 120.570 0.142 0.000 2.418 127 I HA 0.369 4.575 4.170 0.061 0.000 0.287 127 I C 0.284 176.530 176.117 0.214 0.000 1.008 127 I CA 0.186 61.632 61.300 0.243 0.000 1.104 127 I CB 2.084 40.263 38.000 0.298 0.000 1.264 127 I HN 0.531 nan 8.210 nan 0.000 0.438 128 S N 4.545 120.397 115.700 0.253 0.000 2.809 128 S HA 0.333 4.840 4.470 0.061 0.000 0.248 128 S C -1.010 173.572 174.600 -0.030 0.000 1.071 128 S CA -0.409 57.838 58.200 0.078 0.000 1.059 128 S CB -0.067 63.101 63.200 -0.053 0.000 0.923 128 S HN 0.497 nan 8.310 nan 0.000 0.516 129 W N 0.101 121.472 121.300 0.118 0.000 2.962 129 W HA 0.769 5.457 4.660 0.047 0.000 0.341 129 W C 0.405 177.128 176.519 0.340 0.000 1.155 129 W CA -0.309 57.097 57.345 0.101 0.000 1.165 129 W CB 1.457 30.806 29.460 -0.184 0.000 1.435 129 W HN 0.219 nan 8.180 nan 0.000 0.546 130 G N -0.331 108.838 108.800 0.616 0.000 2.323 130 G HA2 0.552 4.549 3.960 0.061 0.000 0.291 130 G HA3 0.552 4.549 3.960 0.061 0.000 0.291 130 G C -1.191 174.087 174.900 0.630 0.000 1.278 130 G CA 0.022 45.574 45.100 0.754 0.000 0.860 130 G HN 1.078 nan 8.290 nan 0.000 0.504 131 G N -0.735 108.529 108.800 0.774 0.000 2.601 131 G HA2 0.764 4.760 3.960 0.061 0.000 0.291 131 G HA3 0.764 4.760 3.960 0.061 0.000 0.291 131 G C -3.307 171.976 174.900 0.639 0.000 1.456 131 G CA -0.681 44.761 45.100 0.571 0.000 0.804 131 G HN 0.587 nan 8.290 nan 0.000 0.499 132 P HA 0.029 nan 4.420 nan 0.000 0.264 132 P C 0.849 178.441 177.300 0.488 0.000 1.183 132 P CA 0.282 63.595 63.100 0.356 0.000 0.763 132 P CB 1.073 32.859 31.700 0.144 0.000 0.807 133 E N 3.055 123.509 120.200 0.424 0.000 2.118 133 E HA -0.249 4.138 4.350 0.061 0.000 0.195 133 E C 0.969 177.717 176.600 0.247 0.000 0.992 133 E CA 1.378 57.967 56.400 0.314 0.000 0.804 133 E CB -0.600 29.249 29.700 0.249 0.000 0.741 133 E HN 0.481 nan 8.360 nan 0.000 0.458 134 D N 1.637 122.190 120.400 0.255 0.000 2.348 134 D HA -0.128 4.549 4.640 0.061 0.000 0.216 134 D C 1.831 178.231 176.300 0.167 0.000 0.970 134 D CA 1.292 55.410 54.000 0.197 0.000 0.889 134 D CB 0.006 40.968 40.800 0.270 0.000 0.912 134 D HN 0.349 nan 8.370 nan 0.000 0.524 135 S N -1.464 114.357 115.700 0.201 0.000 2.486 135 S HA 0.034 4.540 4.470 0.061 0.000 0.220 135 S C 0.539 175.222 174.600 0.138 0.000 1.011 135 S CA -0.762 57.511 58.200 0.122 0.000 0.921 135 S CB -0.598 62.636 63.200 0.056 0.000 0.785 135 S HN 0.169 nan 8.310 nan 0.000 0.517 136 W N 2.456 123.767 121.300 0.018 0.000 2.137 136 W HA 0.601 5.304 4.660 0.071 0.000 0.344 136 W C 0.774 177.269 176.519 -0.040 0.000 1.286 136 W CA -0.191 57.150 57.345 -0.007 0.000 1.240 136 W CB 0.284 29.696 29.460 -0.080 0.000 1.141 136 W HN 0.257 nan 8.180 nan 0.000 0.579 137 A N 4.374 127.336 122.820 0.236 0.000 2.440 137 A HA 0.232 4.589 4.320 0.061 0.000 0.251 137 A C -1.524 176.115 177.584 0.093 0.000 1.089 137 A CA -0.960 51.150 52.037 0.123 0.000 0.779 137 A CB 0.034 19.093 19.000 0.098 0.000 1.022 137 A HN 0.522 nan 8.150 nan 0.000 0.492 138 P HA -0.236 nan 4.420 nan 0.000 0.215 138 P C 1.739 179.023 177.300 -0.026 0.000 1.157 138 P CA 2.464 65.545 63.100 -0.030 0.000 0.874 138 P CB 0.155 31.834 31.700 -0.034 0.000 0.790 139 A N -0.747 122.077 122.820 0.007 0.000 1.948 139 A HA -0.223 4.134 4.320 0.061 0.000 0.220 139 A C 2.309 179.909 177.584 0.027 0.000 1.177 139 A CA 2.383 54.427 52.037 0.012 0.000 0.636 139 A CB -1.551 17.462 19.000 0.022 0.000 0.815 139 A HN 0.166 nan 8.150 nan 0.000 0.449 140 S N -0.120 115.628 115.700 0.080 0.000 2.348 140 S HA -0.095 4.411 4.470 0.061 0.000 0.221 140 S C 1.825 176.430 174.600 0.009 0.000 1.033 140 S CA 1.379 59.667 58.200 0.147 0.000 1.010 140 S CB -0.503 62.944 63.200 0.410 0.000 0.891 140 S HN 0.539 nan 8.310 nan 0.000 0.442 141 I N 1.755 122.234 120.570 -0.151 0.000 2.264 141 I HA -0.263 3.943 4.170 0.061 0.000 0.248 141 I C 2.664 178.705 176.117 -0.128 0.000 1.111 141 I CA 1.172 62.187 61.300 -0.475 0.000 1.382 141 I CB -0.498 37.097 38.000 -0.675 0.000 1.060 141 I HN 0.289 nan 8.210 nan 0.000 0.418 142 A N 0.529 123.310 122.820 -0.064 0.000 1.898 142 A HA -0.086 4.271 4.320 0.061 0.000 0.216 142 A C 2.523 180.111 177.584 0.006 0.000 1.181 142 A CA 1.635 53.673 52.037 0.001 0.000 0.620 142 A CB -0.633 18.358 19.000 -0.014 0.000 0.819 142 A HN 0.427 nan 8.150 nan 0.000 0.442 143 A N -0.672 122.137 122.820 -0.019 0.000 1.897 143 A HA -0.036 4.321 4.320 0.061 0.000 0.215 143 A C 2.229 179.744 177.584 -0.114 0.000 1.181 143 A CA 1.666 53.675 52.037 -0.047 0.000 0.620 143 A CB -0.471 18.511 19.000 -0.029 0.000 0.821 143 A HN 0.442 nan 8.150 nan 0.000 0.443 144 M N -0.129 119.400 119.600 -0.118 0.000 2.059 144 M HA -0.173 4.343 4.480 0.061 0.000 0.259 144 M C 2.170 178.237 176.300 -0.388 0.000 1.072 144 M CA 1.719 56.821 55.300 -0.330 0.000 1.117 144 M CB -1.510 31.045 32.600 -0.076 0.000 1.320 144 M HN 0.633 nan 8.290 nan 0.000 0.408 145 N N 0.170 118.931 118.700 0.101 0.000 2.061 145 N HA -0.219 4.557 4.740 0.061 0.000 0.193 145 N C 1.922 177.433 175.510 0.003 0.000 1.030 145 N CA 1.319 54.521 53.050 0.253 0.000 0.856 145 N CB 0.001 38.748 38.487 0.433 0.000 1.023 145 N HN 0.177 nan 8.380 nan 0.000 0.424 146 R N 1.001 121.463 120.500 -0.063 0.000 2.083 146 R HA -0.061 4.315 4.340 0.061 0.000 0.237 146 R C 2.124 178.309 176.300 -0.193 0.000 1.137 146 R CA 1.425 57.448 56.100 -0.129 0.000 0.951 146 R CB -1.173 29.076 30.300 -0.085 0.000 0.851 146 R HN 0.358 nan 8.270 nan 0.000 0.434 147 A N 0.005 122.679 122.820 -0.243 0.000 1.940 147 A HA -0.158 4.198 4.320 0.061 0.000 0.219 147 A C 2.064 179.505 177.584 -0.239 0.000 1.176 147 A CA 1.370 53.252 52.037 -0.258 0.000 0.631 147 A CB -0.657 18.116 19.000 -0.378 0.000 0.814 147 A HN 0.255 nan 8.150 nan 0.000 0.446 148 F N -0.606 119.232 119.950 -0.186 0.000 2.186 148 F HA -0.036 4.555 4.527 0.107 0.000 0.299 148 F C 2.034 177.582 175.800 -0.421 0.000 1.090 148 F CA 0.711 58.574 58.000 -0.229 0.000 1.307 148 F CB -0.846 38.058 39.000 -0.161 0.000 1.019 148 F HN 0.234 nan 8.300 nan 0.000 0.489 149 L N -0.151 120.782 121.223 -0.483 0.000 2.046 149 L HA -0.214 4.163 4.340 0.061 0.000 0.208 149 L C 1.996 178.610 176.870 -0.427 0.000 1.077 149 L CA 1.601 55.889 54.840 -0.921 0.000 0.747 149 L CB -0.466 41.076 42.059 -0.862 0.000 0.896 149 L HN -0.046 nan 8.230 nan 0.000 0.432 150 D N 0.209 120.462 120.400 -0.244 0.000 2.117 150 D HA -0.174 4.502 4.640 0.061 0.000 0.197 150 D C 2.247 178.466 176.300 -0.135 0.000 0.987 150 D CA 1.441 55.365 54.000 -0.126 0.000 0.829 150 D CB -0.236 40.551 40.800 -0.022 0.000 0.961 150 D HN 0.503 nan 8.370 nan 0.000 0.460 151 A N 1.197 123.933 122.820 -0.140 0.000 1.883 151 A HA -0.128 4.228 4.320 0.061 0.000 0.217 151 A C 2.338 179.865 177.584 -0.094 0.000 1.186 151 A CA 2.570 54.536 52.037 -0.118 0.000 0.624 151 A CB -0.897 18.078 19.000 -0.041 0.000 0.822 151 A HN 0.245 nan 8.150 nan 0.000 0.444 152 A N -0.130 122.608 122.820 -0.137 0.000 1.865 152 A HA 0.079 4.436 4.320 0.061 0.000 0.217 152 A C 2.556 180.127 177.584 -0.022 0.000 1.191 152 A CA 2.521 54.496 52.037 -0.104 0.000 0.623 152 A CB -1.207 17.622 19.000 -0.285 0.000 0.826 152 A HN 1.208 nan 8.150 nan 0.000 0.444 153 A N -0.554 122.231 122.820 -0.058 0.000 1.940 153 A HA -0.040 4.317 4.320 0.061 0.000 0.219 153 A C 2.028 179.605 177.584 -0.012 0.000 1.176 153 A CA 1.539 53.565 52.037 -0.018 0.000 0.631 153 A CB -0.560 18.419 19.000 -0.034 0.000 0.814 153 A HN 0.489 nan 8.150 nan 0.000 0.446 154 L N -1.269 119.932 121.223 -0.038 0.000 2.599 154 L HA 0.157 4.534 4.340 0.061 0.000 0.230 154 L C 1.529 178.386 176.870 -0.022 0.000 1.141 154 L CA 0.500 55.318 54.840 -0.037 0.000 0.877 154 L CB -0.327 41.681 42.059 -0.085 0.000 1.009 154 L HN 0.610 nan 8.230 nan 0.000 0.447 155 G N 0.570 109.367 108.800 -0.005 0.000 2.171 155 G HA2 -0.217 3.780 3.960 0.061 0.000 0.238 155 G HA3 -0.217 3.780 3.960 0.061 0.000 0.238 155 G C -0.115 174.786 174.900 0.003 0.000 1.039 155 G CA -0.044 45.063 45.100 0.011 0.000 0.759 155 G HN 0.103 nan 8.290 nan 0.000 0.501 156 V N 0.945 120.853 119.914 -0.010 0.000 2.398 156 V HA 0.613 4.770 4.120 0.061 0.000 0.286 156 V C 0.848 176.948 176.094 0.011 0.000 1.026 156 V CA -0.247 62.046 62.300 -0.013 0.000 0.868 156 V CB 1.684 33.478 31.823 -0.049 0.000 0.982 156 V HN 0.338 nan 8.190 nan 0.000 0.443 157 T N 4.322 118.889 114.554 0.020 0.000 2.910 157 T HA 0.532 4.919 4.350 0.061 0.000 0.293 157 T C -0.246 174.466 174.700 0.020 0.000 1.015 157 T CA -0.256 61.864 62.100 0.034 0.000 1.094 157 T CB 1.366 70.253 68.868 0.031 0.000 0.968 157 T HN 0.419 nan 8.240 nan 0.000 0.521 158 V N 4.169 124.087 119.914 0.006 0.000 2.482 158 V HA 0.448 4.604 4.120 0.061 0.000 0.295 158 V C -0.868 175.190 176.094 -0.061 0.000 1.026 158 V CA -0.889 61.392 62.300 -0.033 0.000 0.856 158 V CB 1.290 33.062 31.823 -0.086 0.000 1.001 158 V HN 0.609 nan 8.190 nan 0.000 0.424 159 L N 3.889 125.102 121.223 -0.017 0.000 2.334 159 L HA 0.997 5.374 4.340 0.061 0.000 0.273 159 L C 0.169 177.036 176.870 -0.005 0.000 1.013 159 L CA -0.383 54.461 54.840 0.006 0.000 0.816 159 L CB 1.945 44.049 42.059 0.074 0.000 1.278 159 L HN 0.783 nan 8.230 nan 0.000 0.431 160 A N 1.330 124.146 122.820 -0.007 0.000 2.486 160 A HA 0.892 5.248 4.320 0.061 0.000 0.300 160 A C -0.651 176.965 177.584 0.054 0.000 1.048 160 A CA -0.498 51.549 52.037 0.016 0.000 0.696 160 A CB 1.390 20.353 19.000 -0.062 0.000 1.278 160 A HN 0.828 nan 8.150 nan 0.000 0.405 161 A N 0.856 123.722 122.820 0.077 0.000 2.477 161 A HA 0.516 4.873 4.320 0.061 0.000 0.246 161 A C 1.229 178.883 177.584 0.116 0.000 1.078 161 A CA 0.383 52.472 52.037 0.086 0.000 0.770 161 A CB 0.068 19.110 19.000 0.071 0.000 1.011 161 A HN 2.143 nan 8.150 nan 0.000 0.494 162 A N 2.079 124.978 122.820 0.132 0.000 2.208 162 A HA 0.498 4.855 4.320 0.061 0.000 0.209 162 A C 1.293 178.980 177.584 0.172 0.000 1.161 162 A CA 1.154 53.280 52.037 0.149 0.000 0.782 162 A CB -0.873 18.215 19.000 0.148 0.000 0.816 162 A HN 2.775 nan 8.150 nan 0.000 0.477 163 G N -1.227 107.679 108.800 0.177 0.000 2.484 163 G HA2 0.118 4.115 3.960 0.061 0.000 0.685 163 G HA3 0.118 4.115 3.960 0.061 0.000 0.685 163 G C -0.874 174.150 174.900 0.207 0.000 1.294 163 G CA -0.125 45.085 45.100 0.182 0.000 0.879 163 G HN 0.035 nan 8.290 nan 0.000 0.646 164 D N -0.163 120.350 120.400 0.188 0.000 2.501 164 D HA 0.280 4.956 4.640 0.061 0.000 0.224 164 D C 1.347 177.648 176.300 0.001 0.000 1.202 164 D CA 0.772 54.899 54.000 0.212 0.000 0.829 164 D CB 0.573 41.584 40.800 0.353 0.000 1.023 164 D HN 0.642 nan 8.370 nan 0.000 0.499 165 S N -0.293 115.411 115.700 0.007 0.000 2.558 165 S HA 0.551 5.058 4.470 0.061 0.000 0.238 165 S C 0.988 175.577 174.600 -0.019 0.000 1.183 165 S CA -0.336 57.847 58.200 -0.030 0.000 1.185 165 S CB 0.830 64.043 63.200 0.022 0.000 1.003 165 S HN 0.292 nan 8.310 nan 0.000 0.478 166 G N 2.874 111.631 108.800 -0.072 0.000 2.622 166 G HA2 -0.352 3.645 3.960 0.061 0.000 0.272 166 G HA3 -0.352 3.645 3.960 0.061 0.000 0.272 166 G C 0.941 175.914 174.900 0.122 0.000 1.308 166 G CA 0.157 45.252 45.100 -0.009 0.000 0.919 166 G HN 1.285 nan 8.290 nan 0.000 0.565 167 S N -1.474 114.339 115.700 0.189 0.000 2.474 167 S HA -0.052 4.454 4.470 0.061 0.000 0.235 167 S C 2.098 176.938 174.600 0.400 0.000 0.997 167 S CA 2.264 60.670 58.200 0.343 0.000 0.949 167 S CB -0.510 62.882 63.200 0.319 0.000 0.766 167 S HN 1.878 nan 8.310 nan 0.000 0.517 168 T N -2.133 112.580 114.554 0.265 0.000 3.081 168 T HA 0.178 4.565 4.350 0.061 0.000 0.250 168 T C 0.418 175.252 174.700 0.223 0.000 1.100 168 T CA 0.368 62.606 62.100 0.229 0.000 1.038 168 T CB -0.543 68.371 68.868 0.076 0.000 0.962 168 T HN 0.273 nan 8.240 nan 0.000 0.516 169 D N 1.508 122.017 120.400 0.182 0.000 2.811 169 D HA -0.151 4.525 4.640 0.061 0.000 0.231 169 D C 1.221 177.569 176.300 0.079 0.000 1.157 169 D CA 1.447 55.535 54.000 0.147 0.000 0.716 169 D CB -1.601 39.322 40.800 0.206 0.000 1.077 169 D HN 0.871 nan 8.370 nan 0.000 0.428 170 G N -0.738 108.093 108.800 0.052 0.000 2.148 170 G HA2 -0.346 3.651 3.960 0.061 0.000 0.254 170 G HA3 -0.346 3.651 3.960 0.061 0.000 0.254 170 G C 0.158 175.050 174.900 -0.015 0.000 0.981 170 G CA 0.583 45.695 45.100 0.020 0.000 0.670 170 G HN 0.551 nan 8.290 nan 0.000 0.528 171 E N -0.274 119.898 120.200 -0.047 0.000 2.248 171 E HA 0.477 4.864 4.350 0.061 0.000 0.272 171 E C 0.789 177.369 176.600 -0.034 0.000 1.008 171 E CA -0.376 55.962 56.400 -0.102 0.000 0.856 171 E CB 0.516 30.006 29.700 -0.351 0.000 1.120 171 E HN 0.540 nan 8.360 nan 0.000 0.397 172 Q N 0.813 120.598 119.800 -0.026 0.000 2.354 172 Q HA 0.146 4.522 4.340 0.061 0.000 0.372 172 Q C -0.821 175.179 176.000 -0.000 0.000 0.923 172 Q CA -0.157 55.639 55.803 -0.012 0.000 1.123 172 Q CB -0.127 28.602 28.738 -0.014 0.000 1.298 172 Q HN 0.445 nan 8.270 nan 0.000 0.419 173 D N -0.962 119.457 120.400 0.031 0.000 2.395 173 D HA 0.205 4.882 4.640 0.061 0.000 0.213 173 D C 1.239 177.550 176.300 0.019 0.000 1.110 173 D CA 0.401 54.429 54.000 0.046 0.000 0.835 173 D CB 0.576 41.439 40.800 0.106 0.000 0.965 173 D HN 0.392 nan 8.370 nan 0.000 0.505 174 G N -0.001 108.783 108.800 -0.026 0.000 2.234 174 G HA2 -0.287 3.709 3.960 0.061 0.000 0.260 174 G HA3 -0.287 3.709 3.960 0.061 0.000 0.260 174 G C 0.154 174.924 174.900 -0.216 0.000 0.987 174 G CA 0.566 45.604 45.100 -0.104 0.000 0.625 174 G HN 0.384 nan 8.290 nan 0.000 0.532 175 L N -0.750 120.377 121.223 -0.161 0.000 2.416 175 L HA 0.697 5.074 4.340 0.061 0.000 0.263 175 L C 0.567 177.116 176.870 -0.534 0.000 1.065 175 L CA -1.447 53.195 54.840 -0.330 0.000 0.798 175 L CB 0.601 42.485 42.059 -0.291 0.000 1.267 175 L HN 0.078 nan 8.230 nan 0.000 0.467 176 Y N -0.838 119.292 120.300 -0.282 0.000 2.387 176 Y HA 0.457 5.040 4.550 0.054 0.000 0.330 176 Y C 0.016 175.704 175.900 -0.355 0.000 1.133 176 Y CA -0.423 57.590 58.100 -0.145 0.000 1.152 176 Y CB 1.183 39.617 38.460 -0.044 0.000 1.215 176 Y HN 0.336 nan 8.280 nan 0.000 0.466 177 H N 0.966 120.210 119.070 0.289 0.000 2.974 177 H HA 0.501 5.089 4.556 0.052 0.000 0.366 177 H C -1.117 174.365 175.328 0.256 0.000 1.155 177 H CA -1.045 55.145 56.048 0.238 0.000 1.186 177 H CB 1.869 31.738 29.762 0.179 0.000 1.799 177 H HN 0.541 nan 8.280 nan 0.000 0.541 178 V N -0.523 119.604 119.914 0.355 0.000 2.834 178 V HA 0.410 4.566 4.120 0.061 0.000 0.313 178 V C -0.006 176.279 176.094 0.318 0.000 1.060 178 V CA -0.744 61.735 62.300 0.298 0.000 0.989 178 V CB 1.894 33.867 31.823 0.248 0.000 1.041 178 V HN 0.686 nan 8.190 nan 0.000 0.459 179 D N 0.867 121.442 120.400 0.291 0.000 2.253 179 D HA 0.528 5.205 4.640 0.061 0.000 0.249 179 D C -1.166 175.344 176.300 0.350 0.000 1.049 179 D CA -0.175 54.023 54.000 0.329 0.000 0.929 179 D CB 1.415 42.385 40.800 0.283 0.000 1.176 179 D HN 0.617 nan 8.370 nan 0.000 0.437 180 F N 3.000 123.094 119.950 0.240 0.000 2.522 180 F HA 0.451 5.041 4.527 0.105 0.000 0.324 180 F C -1.751 174.163 175.800 0.191 0.000 1.077 180 F CA -2.368 55.678 58.000 0.076 0.000 0.944 180 F CB 2.196 41.041 39.000 -0.258 0.000 1.175 180 F HN 0.237 nan 8.300 nan 0.000 0.468 181 P HA -0.014 nan 4.420 nan 0.000 0.242 181 P C 0.726 177.619 177.300 -0.678 0.000 1.197 181 P CA 1.018 63.288 63.100 -1.383 0.000 0.765 181 P CB -0.069 31.077 31.700 -0.924 0.000 0.936 182 A N 1.509 124.191 122.820 -0.230 0.000 1.917 182 A HA -0.139 4.218 4.320 0.061 0.000 0.219 182 A C 2.476 180.018 177.584 -0.070 0.000 1.182 182 A CA 2.111 54.089 52.037 -0.099 0.000 0.633 182 A CB -1.512 17.521 19.000 0.054 0.000 0.819 182 A HN 0.267 nan 8.150 nan 0.000 0.448 183 A N -0.375 122.481 122.820 0.060 0.000 2.024 183 A HA 0.036 4.392 4.320 0.061 0.000 0.220 183 A C 1.714 179.227 177.584 -0.118 0.000 1.164 183 A CA 1.262 53.400 52.037 0.168 0.000 0.643 183 A CB -0.986 18.299 19.000 0.475 0.000 0.806 183 A HN 0.769 nan 8.150 nan 0.000 0.451 184 S N 0.550 116.057 115.700 -0.321 0.000 2.563 184 S HA 0.124 4.630 4.470 0.061 0.000 0.294 184 S C -0.861 173.449 174.600 -0.484 0.000 1.279 184 S CA -0.428 57.364 58.200 -0.680 0.000 1.069 184 S CB 0.689 63.652 63.200 -0.395 0.000 0.828 184 S HN 0.337 nan 8.310 nan 0.000 0.497 185 P HA -0.028 nan 4.420 nan 0.000 0.233 185 P C 0.271 177.451 177.300 -0.200 0.000 1.167 185 P CA 0.950 63.901 63.100 -0.248 0.000 0.770 185 P CB -0.118 31.395 31.700 -0.311 0.000 0.837 186 Y N 0.117 120.325 120.300 -0.154 0.000 2.466 186 Y HA 0.094 4.676 4.550 0.054 0.000 0.272 186 Y C 1.535 177.259 175.900 -0.294 0.000 1.169 186 Y CA -0.272 57.632 58.100 -0.326 0.000 1.285 186 Y CB 0.107 38.346 38.460 -0.367 0.000 1.078 186 Y HN -0.177 nan 8.280 nan 0.000 0.523 187 V N -1.204 118.587 119.914 -0.205 0.000 2.769 187 V HA 0.435 4.592 4.120 0.061 0.000 0.312 187 V C -0.558 175.494 176.094 -0.069 0.000 1.058 187 V CA -1.313 60.830 62.300 -0.262 0.000 0.952 187 V CB 2.112 33.581 31.823 -0.591 0.000 1.019 187 V HN -0.071 nan 8.190 nan 0.000 0.445 188 L N 4.932 126.141 121.223 -0.023 0.000 2.295 188 L HA 0.629 5.005 4.340 0.061 0.000 0.288 188 L C 0.596 177.501 176.870 0.058 0.000 1.079 188 L CA 0.224 55.094 54.840 0.051 0.000 0.830 188 L CB 0.160 42.255 42.059 0.060 0.000 1.200 188 L HN 1.091 nan 8.230 nan 0.000 0.438 189 A N 5.587 128.461 122.820 0.089 0.000 2.404 189 A HA 0.318 4.675 4.320 0.061 0.000 0.273 189 A C 0.044 177.715 177.584 0.145 0.000 1.144 189 A CA -0.296 51.800 52.037 0.099 0.000 0.806 189 A CB -0.230 18.843 19.000 0.121 0.000 1.080 189 A HN 0.836 nan 8.150 nan 0.000 0.509 190 C N 3.748 123.131 119.300 0.139 0.000 2.223 190 C HA 0.630 5.127 4.460 0.061 0.000 0.324 190 C C 1.315 176.396 174.990 0.151 0.000 1.196 190 C CA -0.391 58.731 59.018 0.173 0.000 1.628 190 C CB -0.192 27.632 27.740 0.140 0.000 2.229 190 C HN 1.033 nan 8.230 nan 0.000 0.486 191 G N 2.092 110.989 108.800 0.163 0.000 2.543 191 G HA2 0.673 4.669 3.960 0.061 0.000 0.290 191 G HA3 0.673 4.669 3.960 0.061 0.000 0.290 191 G C -0.164 174.850 174.900 0.189 0.000 1.310 191 G CA -0.329 44.867 45.100 0.160 0.000 1.025 191 G HN 0.975 nan 8.290 nan 0.000 0.502 192 G N -1.119 107.830 108.800 0.249 0.000 2.542 192 G HA2 0.626 4.622 3.960 0.061 0.000 0.311 192 G HA3 0.626 4.622 3.960 0.061 0.000 0.311 192 G C -0.307 174.785 174.900 0.321 0.000 1.298 192 G CA 0.104 45.381 45.100 0.295 0.000 0.973 192 G HN 0.928 nan 8.290 nan 0.000 0.487 193 T N -1.411 113.292 114.554 0.248 0.000 2.926 193 T HA 0.692 5.079 4.350 0.061 0.000 0.289 193 T C -0.252 174.565 174.700 0.195 0.000 1.054 193 T CA -0.966 61.278 62.100 0.240 0.000 1.015 193 T CB 2.255 71.253 68.868 0.216 0.000 1.167 193 T HN 0.580 nan 8.240 nan 0.000 0.526 194 R N 0.984 121.601 120.500 0.195 0.000 2.246 194 R HA 0.585 4.961 4.340 0.061 0.000 0.332 194 R C -1.347 175.034 176.300 0.134 0.000 0.974 194 R CA -0.859 55.328 56.100 0.145 0.000 0.837 194 R CB 0.407 30.812 30.300 0.175 0.000 1.145 194 R HN 0.625 nan 8.270 nan 0.000 0.467 195 L N 5.300 126.593 121.223 0.115 0.000 2.296 195 L HA 0.443 4.820 4.340 0.061 0.000 0.286 195 L C -1.384 175.577 176.870 0.152 0.000 1.023 195 L CA -0.417 54.485 54.840 0.104 0.000 0.812 195 L CB 1.957 44.013 42.059 -0.006 0.000 1.223 195 L HN 0.390 nan 8.230 nan 0.000 0.421 196 V N 5.783 125.769 119.914 0.121 0.000 2.326 196 V HA 0.899 5.055 4.120 0.061 0.000 0.281 196 V C 0.025 176.165 176.094 0.076 0.000 1.015 196 V CA 0.110 62.498 62.300 0.146 0.000 0.823 196 V CB 0.583 32.461 31.823 0.092 0.000 1.009 196 V HN 1.026 nan 8.190 nan 0.000 0.436 197 A N 4.002 126.870 122.820 0.079 0.000 2.587 197 A HA 0.979 5.335 4.320 0.061 0.000 0.293 197 A C -0.298 177.284 177.584 -0.003 0.000 1.087 197 A CA -0.362 51.645 52.037 -0.050 0.000 0.692 197 A CB 2.189 21.049 19.000 -0.233 0.000 1.291 197 A HN 0.823 nan 8.150 nan 0.000 0.407 198 S N -0.201 115.477 115.700 -0.037 0.000 2.751 198 S HA 0.725 5.232 4.470 0.061 0.000 0.310 198 S C 1.065 175.625 174.600 -0.066 0.000 1.128 198 S CA -0.036 58.152 58.200 -0.020 0.000 0.931 198 S CB 1.387 64.583 63.200 -0.008 0.000 1.177 198 S HN 1.974 nan 8.310 nan 0.000 0.530 199 A N 0.299 123.087 122.820 -0.052 0.000 2.015 199 A HA 0.207 4.564 4.320 0.061 0.000 0.219 199 A C 1.929 179.480 177.584 -0.054 0.000 1.163 199 A CA 1.525 53.524 52.037 -0.064 0.000 0.646 199 A CB -1.523 17.450 19.000 -0.045 0.000 0.806 199 A HN 1.084 nan 8.150 nan 0.000 0.448 200 G N -0.811 107.964 108.800 -0.042 0.000 2.551 200 G HA2 0.311 4.307 3.960 0.061 0.000 0.216 200 G HA3 0.311 4.307 3.960 0.061 0.000 0.216 200 G C 0.596 175.471 174.900 -0.041 0.000 1.137 200 G CA 0.656 45.735 45.100 -0.034 0.000 0.798 200 G HN 0.756 nan 8.290 nan 0.000 0.536 201 R N -1.861 118.606 120.500 -0.053 0.000 2.780 201 R HA 0.442 4.819 4.340 0.061 0.000 0.280 201 R C -1.536 174.716 176.300 -0.080 0.000 1.016 201 R CA -0.914 55.147 56.100 -0.065 0.000 0.854 201 R CB 0.379 30.651 30.300 -0.048 0.000 1.293 201 R HN -0.072 nan 8.270 nan 0.000 0.483 202 I N 1.952 122.461 120.570 -0.101 0.000 2.297 202 I HA 0.183 4.390 4.170 0.061 0.000 0.291 202 I C 0.289 176.385 176.117 -0.034 0.000 1.033 202 I CA -0.357 60.887 61.300 -0.093 0.000 1.253 202 I CB 1.558 39.456 38.000 -0.171 0.000 1.396 202 I HN 0.707 nan 8.210 nan 0.000 0.476 203 E N 4.477 124.678 120.200 0.001 0.000 2.158 203 E HA 0.041 4.428 4.350 0.061 0.000 0.191 203 E C 0.402 177.036 176.600 0.058 0.000 0.982 203 E CA 0.769 57.184 56.400 0.026 0.000 0.823 203 E CB 0.260 29.977 29.700 0.027 0.000 0.766 203 E HN 0.447 nan 8.360 nan 0.000 0.468 204 R N -0.364 120.184 120.500 0.080 0.000 2.644 204 R HA 0.224 4.601 4.340 0.061 0.000 0.257 204 R C -1.881 174.510 176.300 0.151 0.000 1.082 204 R CA -0.333 55.836 56.100 0.116 0.000 0.927 204 R CB 1.104 31.455 30.300 0.085 0.000 1.258 204 R HN -0.015 nan 8.270 nan 0.000 0.459 205 E N 2.622 122.941 120.200 0.198 0.000 2.281 205 E HA 0.319 4.705 4.350 0.061 0.000 0.266 205 E C -1.484 175.200 176.600 0.140 0.000 0.893 205 E CA -0.490 56.034 56.400 0.207 0.000 0.798 205 E CB 1.677 31.580 29.700 0.338 0.000 1.245 205 E HN 0.695 nan 8.360 nan 0.000 0.410 206 T N -0.744 113.886 114.554 0.127 0.000 2.858 206 T HA 0.505 4.892 4.350 0.061 0.000 0.285 206 T C -0.028 174.746 174.700 0.123 0.000 1.052 206 T CA -0.765 61.393 62.100 0.098 0.000 1.009 206 T CB 1.079 70.000 68.868 0.088 0.000 1.241 206 T HN 0.141 nan 8.240 nan 0.000 0.542 207 V N 1.383 121.355 119.914 0.097 0.000 2.673 207 V HA 0.109 4.265 4.120 0.061 0.000 0.303 207 V C 0.044 176.259 176.094 0.202 0.000 1.046 207 V CA -0.351 62.020 62.300 0.118 0.000 1.126 207 V CB 0.008 31.865 31.823 0.056 0.000 0.934 207 V HN 0.843 nan 8.190 nan 0.000 0.487 208 W N 7.390 128.720 121.300 0.050 0.000 2.485 208 W HA 0.327 5.012 4.660 0.041 0.000 0.315 208 W C 0.073 176.622 176.519 0.049 0.000 1.304 208 W CA -0.735 56.642 57.345 0.054 0.000 1.345 208 W CB -0.185 29.314 29.460 0.064 0.000 1.368 208 W HN 0.614 nan 8.180 nan 0.000 0.497 209 N N 5.391 124.038 118.700 -0.088 0.000 2.621 209 N HA 0.068 4.845 4.740 0.061 0.000 0.271 209 N C -0.977 174.459 175.510 -0.124 0.000 1.181 209 N CA -0.144 52.734 53.050 -0.287 0.000 0.805 209 N CB 0.799 39.208 38.487 -0.130 0.000 1.351 209 N HN 0.346 nan 8.380 nan 0.000 0.539 210 D N 1.881 122.182 120.400 -0.164 0.000 2.427 210 D HA 0.284 4.960 4.640 0.061 0.000 0.224 210 D C 1.104 177.389 176.300 -0.025 0.000 1.157 210 D CA 0.424 54.438 54.000 0.023 0.000 0.828 210 D CB 0.111 41.024 40.800 0.188 0.000 0.974 210 D HN 0.864 nan 8.370 nan 0.000 0.498 211 G N 1.603 110.352 108.800 -0.085 0.000 2.828 211 G HA2 -0.241 3.755 3.960 0.061 0.000 0.463 211 G HA3 -0.241 3.755 3.960 0.061 0.000 0.463 211 G C -1.897 172.966 174.900 -0.062 0.000 1.394 211 G CA -0.718 44.347 45.100 -0.059 0.000 0.862 211 G HN -0.009 nan 8.290 nan 0.000 0.540 212 P HA -0.072 nan 4.420 nan 0.000 0.216 212 P C 1.232 178.525 177.300 -0.011 0.000 1.157 212 P CA 2.007 65.091 63.100 -0.027 0.000 0.880 212 P CB -0.009 31.683 31.700 -0.014 0.000 0.791 213 D N -1.620 118.782 120.400 0.003 0.000 2.194 213 D HA -0.014 4.662 4.640 0.061 0.000 0.204 213 D C 2.098 178.426 176.300 0.046 0.000 0.964 213 D CA 1.438 55.451 54.000 0.022 0.000 0.846 213 D CB -0.899 39.914 40.800 0.023 0.000 0.962 213 D HN 0.222 nan 8.370 nan 0.000 0.490 214 G N -0.744 108.087 108.800 0.052 0.000 2.887 214 G HA2 0.412 4.409 3.960 0.061 0.000 0.211 214 G HA3 0.412 4.409 3.960 0.061 0.000 0.211 214 G C 0.814 175.823 174.900 0.182 0.000 1.152 214 G CA 0.415 45.590 45.100 0.126 0.000 0.769 214 G HN 0.573 nan 8.290 nan 0.000 0.541 215 G N -1.361 107.433 108.800 -0.010 0.000 2.712 215 G HA2 0.340 4.337 3.960 0.061 0.000 0.683 215 G HA3 0.340 4.337 3.960 0.061 0.000 0.683 215 G C -0.467 173.899 174.900 -0.890 0.000 1.320 215 G CA 0.126 45.093 45.100 -0.223 0.000 0.847 215 G HN 1.388 nan 8.290 nan 0.000 0.553 216 S N -2.024 112.820 115.700 -1.426 0.000 2.597 216 S HA 0.649 5.156 4.470 0.061 0.000 0.274 216 S C -0.146 173.914 174.600 -0.901 0.000 1.132 216 S CA 0.935 58.235 58.200 -1.500 0.000 0.835 216 S CB 1.420 64.242 63.200 -0.631 0.000 1.092 216 S HN 2.035 nan 8.310 nan 0.000 0.457 217 T N 2.064 116.397 114.554 -0.368 0.000 2.930 217 T HA 0.493 4.880 4.350 0.061 0.000 0.306 217 T C 0.881 175.616 174.700 0.058 0.000 1.045 217 T CA 0.643 62.796 62.100 0.089 0.000 1.134 217 T CB -0.153 68.849 68.868 0.222 0.000 0.961 217 T HN 0.918 nan 8.240 nan 0.000 0.545 218 G N 1.486 110.363 108.800 0.129 0.000 2.606 218 G HA2 0.580 4.577 3.960 0.061 0.000 0.252 218 G HA3 0.580 4.577 3.960 0.061 0.000 0.252 218 G C 0.124 175.106 174.900 0.137 0.000 1.206 218 G CA -0.065 45.120 45.100 0.142 0.000 0.861 218 G HN 1.148 nan 8.290 nan 0.000 0.561 219 G N -1.830 107.065 108.800 0.157 0.000 2.376 219 G HA2 0.700 4.696 3.960 0.061 0.000 0.302 219 G HA3 0.700 4.696 3.960 0.061 0.000 0.302 219 G C -0.267 174.680 174.900 0.079 0.000 1.586 219 G CA 0.441 45.601 45.100 0.100 0.000 0.907 219 G HN 2.134 nan 8.290 nan 0.000 0.655 220 G N -1.703 107.022 108.800 -0.125 0.000 2.441 220 G HA2 0.553 4.550 3.960 0.061 0.000 0.222 220 G HA3 0.553 4.550 3.960 0.061 0.000 0.222 220 G C -1.662 173.065 174.900 -0.289 0.000 1.254 220 G CA 0.471 45.242 45.100 -0.548 0.000 0.959 220 G HN 1.722 nan 8.290 nan 0.000 0.474 221 V N 0.965 120.795 119.914 -0.140 0.000 2.483 221 V HA 0.666 4.823 4.120 0.061 0.000 0.297 221 V C 0.727 176.864 176.094 0.071 0.000 1.027 221 V CA -0.219 62.065 62.300 -0.027 0.000 0.855 221 V CB 1.185 32.992 31.823 -0.028 0.000 0.995 221 V HN 1.064 nan 8.190 nan 0.000 0.424 222 S N 3.461 119.212 115.700 0.085 0.000 2.568 222 S HA 0.177 4.683 4.470 0.061 0.000 0.282 222 S C 1.002 175.650 174.600 0.081 0.000 1.338 222 S CA 0.052 58.335 58.200 0.137 0.000 1.045 222 S CB 0.481 63.815 63.200 0.224 0.000 0.873 222 S HN 0.790 nan 8.310 nan 0.000 0.516 223 R N 2.279 122.821 120.500 0.070 0.000 2.365 223 R HA 0.251 4.628 4.340 0.061 0.000 0.223 223 R C 0.737 177.006 176.300 -0.051 0.000 0.899 223 R CA 0.172 56.284 56.100 0.020 0.000 1.059 223 R CB 0.011 30.335 30.300 0.040 0.000 1.086 223 R HN 0.624 nan 8.270 nan 0.000 0.522 224 I N -0.592 119.913 120.570 -0.109 0.000 2.899 224 I HA 0.150 4.357 4.170 0.061 0.000 0.257 224 I C 0.075 175.913 176.117 -0.465 0.000 1.115 224 I CA 0.427 61.507 61.300 -0.367 0.000 1.451 224 I CB -0.040 37.560 38.000 -0.667 0.000 1.251 224 I HN -0.150 nan 8.210 nan 0.000 0.456 225 F N 1.981 121.932 119.950 0.001 0.000 2.394 225 F HA 0.452 5.019 4.527 0.066 0.000 0.340 225 F C -2.023 173.738 175.800 -0.066 0.000 1.105 225 F CA -2.429 55.560 58.000 -0.019 0.000 1.124 225 F CB -0.123 38.878 39.000 0.001 0.000 1.145 225 F HN -0.146 nan 8.300 nan 0.000 0.505 226 P HA 0.033 nan 4.420 nan 0.000 0.274 226 P C -0.550 176.680 177.300 -0.116 0.000 1.246 226 P CA -0.559 62.519 63.100 -0.037 0.000 0.795 226 P CB 0.585 32.256 31.700 -0.049 0.000 1.006 227 L N 3.095 124.205 121.223 -0.189 0.000 2.559 227 L HA 0.105 4.481 4.340 0.061 0.000 0.274 227 L C -2.120 174.480 176.870 -0.449 0.000 1.205 227 L CA -1.065 53.576 54.840 -0.331 0.000 0.907 227 L CB -0.689 41.180 42.059 -0.316 0.000 1.153 227 L HN 0.287 nan 8.230 nan 0.000 0.490 228 P HA 0.100 nan 4.420 nan 0.000 0.272 228 P C 0.692 177.438 177.300 -0.923 0.000 1.223 228 P CA -0.163 62.350 63.100 -0.978 0.000 0.784 228 P CB 0.658 31.233 31.700 -1.876 0.000 0.923 229 S N 1.700 117.018 115.700 -0.637 0.000 2.399 229 S HA -0.143 4.363 4.470 0.061 0.000 0.231 229 S C 1.438 175.826 174.600 -0.352 0.000 1.022 229 S CA 0.729 58.706 58.200 -0.372 0.000 0.983 229 S CB -1.060 62.045 63.200 -0.160 0.000 0.803 229 S HN 0.688 nan 8.310 nan 0.000 0.480 230 W N 1.167 122.342 121.300 -0.208 0.000 3.077 230 W HA 0.313 4.994 4.660 0.035 0.000 0.245 230 W C 1.381 177.687 176.519 -0.355 0.000 1.316 230 W CA 0.304 57.512 57.345 -0.228 0.000 1.537 230 W CB -0.601 28.724 29.460 -0.226 0.000 1.131 230 W HN 0.450 nan 8.180 nan 0.000 0.695 231 Q N 0.972 120.324 119.800 -0.747 0.000 2.171 231 Q HA 0.029 4.406 4.340 0.061 0.000 0.218 231 Q C 1.212 176.900 176.000 -0.520 0.000 0.822 231 Q CA 0.001 55.331 55.803 -0.789 0.000 0.987 231 Q CB 0.231 28.172 28.738 -1.329 0.000 1.144 231 Q HN 0.283 nan 8.270 nan 0.000 0.494 232 E N -0.155 119.820 120.200 -0.375 0.000 2.418 232 E HA -0.109 4.278 4.350 0.061 0.000 0.197 232 E C 1.161 177.659 176.600 -0.170 0.000 1.026 232 E CA 0.468 56.709 56.400 -0.264 0.000 0.862 232 E CB 0.333 29.908 29.700 -0.209 0.000 0.799 232 E HN 0.081 nan 8.360 nan 0.000 0.518 233 R N -0.416 120.013 120.500 -0.119 0.000 2.362 233 R HA 0.186 4.563 4.340 0.061 0.000 0.227 233 R C 1.311 177.596 176.300 -0.025 0.000 0.905 233 R CA 0.278 56.349 56.100 -0.050 0.000 1.067 233 R CB 0.547 30.845 30.300 -0.003 0.000 1.078 233 R HN 0.004 nan 8.270 nan 0.000 0.516 234 A N 0.369 123.141 122.820 -0.081 0.000 2.238 234 A HA 0.061 4.418 4.320 0.061 0.000 0.208 234 A C 0.054 177.620 177.584 -0.029 0.000 1.177 234 A CA 0.137 52.151 52.037 -0.038 0.000 0.804 234 A CB -0.446 18.415 19.000 -0.232 0.000 0.823 234 A HN 0.528 nan 8.150 nan 0.000 0.482 235 N N -1.265 117.390 118.700 -0.076 0.000 2.740 235 N HA -0.131 4.646 4.740 0.061 0.000 0.248 235 N C -0.460 175.032 175.510 -0.029 0.000 1.062 235 N CA 0.538 53.571 53.050 -0.029 0.000 0.704 235 N CB -1.567 36.950 38.487 0.050 0.000 0.968 235 N HN 0.227 nan 8.380 nan 0.000 0.547 236 V N 0.429 120.207 119.914 -0.226 0.000 2.655 236 V HA 0.204 4.360 4.120 0.061 0.000 0.300 236 V C -1.140 174.901 176.094 -0.087 0.000 1.044 236 V CA -0.635 61.508 62.300 -0.261 0.000 1.095 236 V CB 0.555 32.029 31.823 -0.583 0.000 0.952 236 V HN 0.143 nan 8.190 nan 0.000 0.485 237 P HA 0.418 nan 4.420 nan 0.000 0.282 237 P C -2.704 174.595 177.300 -0.002 0.000 1.287 237 P CA -1.694 61.420 63.100 0.025 0.000 0.792 237 P CB -0.035 31.718 31.700 0.088 0.000 1.163 238 P HA 0.091 nan 4.420 nan 0.000 0.281 238 P C -0.197 177.144 177.300 0.068 0.000 1.249 238 P CA -0.251 62.859 63.100 0.016 0.000 0.810 238 P CB 0.667 32.374 31.700 0.012 0.000 1.008 239 S N 0.969 116.713 115.700 0.074 0.000 2.558 239 S HA 0.076 4.583 4.470 0.061 0.000 0.287 239 S C 1.528 176.211 174.600 0.139 0.000 1.321 239 S CA 0.224 58.513 58.200 0.149 0.000 1.048 239 S CB -0.242 63.029 63.200 0.118 0.000 0.844 239 S HN 0.511 nan 8.310 nan 0.000 0.512 240 A N 4.252 127.157 122.820 0.142 0.000 2.167 240 A HA 0.141 4.497 4.320 0.061 0.000 0.214 240 A C 0.773 178.407 177.584 0.083 0.000 1.151 240 A CA 0.158 52.176 52.037 -0.032 0.000 0.735 240 A CB -0.710 17.986 19.000 -0.506 0.000 0.802 240 A HN 0.907 nan 8.150 nan 0.000 0.467 241 N N 1.692 120.481 118.700 0.148 0.000 2.452 241 N HA 0.244 5.020 4.740 0.061 0.000 0.266 241 N C -2.751 172.801 175.510 0.070 0.000 1.175 241 N CA -1.259 51.869 53.050 0.131 0.000 0.945 241 N CB 0.374 38.915 38.487 0.090 0.000 1.063 241 N HN 0.044 nan 8.380 nan 0.000 0.472 242 P HA -0.103 nan 4.420 nan 0.000 0.255 242 P C 0.738 178.053 177.300 0.025 0.000 1.161 242 P CA 0.945 64.065 63.100 0.033 0.000 0.768 242 P CB 0.296 32.011 31.700 0.025 0.000 0.746 243 G N 3.224 112.037 108.800 0.022 0.000 3.211 243 G HA2 0.049 4.046 3.960 0.061 0.000 0.202 243 G HA3 0.049 4.046 3.960 0.061 0.000 0.202 243 G C 0.568 175.477 174.900 0.015 0.000 1.035 243 G CA 0.389 45.498 45.100 0.015 0.000 0.846 243 G HN 0.726 nan 8.290 nan 0.000 0.464 244 A N -0.025 122.809 122.820 0.025 0.000 2.771 244 A HA 0.222 4.578 4.320 0.061 0.000 0.294 244 A C 1.762 179.354 177.584 0.014 0.000 1.500 244 A CA 1.831 53.882 52.037 0.025 0.000 0.829 244 A CB -1.725 17.285 19.000 0.017 0.000 0.998 244 A HN 2.335 nan 8.150 nan 0.000 0.526 245 G N -0.299 108.508 108.800 0.012 0.000 2.491 245 G HA2 0.467 4.463 3.960 0.061 0.000 0.238 245 G HA3 0.467 4.463 3.960 0.061 0.000 0.238 245 G C 0.325 175.219 174.900 -0.009 0.000 1.277 245 G CA 0.748 45.847 45.100 -0.002 0.000 0.851 245 G HN 1.441 nan 8.290 nan 0.000 0.573 246 S N -0.153 115.530 115.700 -0.029 0.000 2.617 246 S HA 0.788 5.295 4.470 0.061 0.000 0.269 246 S C 0.453 175.018 174.600 -0.059 0.000 1.292 246 S CA 0.419 58.587 58.200 -0.053 0.000 1.010 246 S CB 0.916 64.074 63.200 -0.070 0.000 0.944 246 S HN 1.753 nan 8.310 nan 0.000 0.536 247 G N 2.344 111.091 108.800 -0.087 0.000 2.338 247 G HA2 0.289 4.286 3.960 0.061 0.000 0.295 247 G HA3 0.289 4.286 3.960 0.061 0.000 0.295 247 G C -1.367 173.458 174.900 -0.126 0.000 1.461 247 G CA -1.025 44.029 45.100 -0.077 0.000 0.817 247 G HN 0.712 nan 8.290 nan 0.000 0.556 248 R N 0.312 120.750 120.500 -0.102 0.000 2.494 248 R HA 0.231 4.607 4.340 0.061 0.000 0.291 248 R C 0.615 176.843 176.300 -0.120 0.000 0.953 248 R CA 0.708 56.707 56.100 -0.169 0.000 1.098 248 R CB -0.125 30.133 30.300 -0.070 0.000 0.911 248 R HN 0.916 nan 8.270 nan 0.000 0.407 249 G N 3.003 111.661 108.800 -0.236 0.000 2.372 249 G HA2 0.433 4.430 3.960 0.061 0.000 0.283 249 G HA3 0.433 4.430 3.960 0.061 0.000 0.283 249 G C -0.774 174.294 174.900 0.280 0.000 1.177 249 G CA -0.570 44.492 45.100 -0.063 0.000 0.842 249 G HN 0.442 nan 8.290 nan 0.000 0.503 250 V N 5.014 125.130 119.914 0.336 0.000 2.513 250 V HA 0.554 4.711 4.120 0.061 0.000 0.299 250 V C -1.761 174.477 176.094 0.239 0.000 1.035 250 V CA -1.331 61.145 62.300 0.294 0.000 0.889 250 V CB 2.269 34.202 31.823 0.183 0.000 0.988 250 V HN 0.718 nan 8.190 nan 0.000 0.440 251 P HA 0.451 nan 4.420 nan 0.000 0.325 251 P C -0.463 177.054 177.300 0.362 0.000 1.298 251 P CA -0.310 62.922 63.100 0.220 0.000 0.771 251 P CB 2.032 33.809 31.700 0.129 0.000 1.389 252 D N -1.620 118.970 120.400 0.318 0.000 2.324 252 D HA 0.164 4.840 4.640 0.061 0.000 0.212 252 D C 0.501 176.852 176.300 0.085 0.000 0.984 252 D CA 0.900 55.136 54.000 0.393 0.000 0.885 252 D CB 0.638 41.654 40.800 0.361 0.000 0.996 252 D HN 0.047 nan 8.370 nan 0.000 0.505 253 V N -0.255 119.704 119.914 0.075 0.000 3.202 253 V HA 0.758 4.914 4.120 0.061 0.000 0.306 253 V C -1.214 174.971 176.094 0.151 0.000 1.283 253 V CA -0.970 61.353 62.300 0.039 0.000 1.065 253 V CB 2.347 34.195 31.823 0.041 0.000 1.079 253 V HN 0.148 nan 8.190 nan 0.000 0.448 254 A N 0.041 122.983 122.820 0.204 0.000 2.587 254 A HA 1.034 5.390 4.320 0.061 0.000 0.293 254 A C -0.472 177.332 177.584 0.367 0.000 1.087 254 A CA -0.026 52.165 52.037 0.257 0.000 0.692 254 A CB 2.100 21.177 19.000 0.129 0.000 1.291 254 A HN 1.769 nan 8.150 nan 0.000 0.407 255 G N -0.164 108.810 108.800 0.289 0.000 2.677 255 G HA2 0.473 4.469 3.960 0.061 0.000 0.291 255 G HA3 0.473 4.469 3.960 0.061 0.000 0.291 255 G C -0.940 174.122 174.900 0.271 0.000 1.435 255 G CA -0.746 44.545 45.100 0.318 0.000 0.826 255 G HN 1.017 nan 8.290 nan 0.000 0.491 256 N N -0.271 118.648 118.700 0.365 0.000 2.223 256 N HA 0.268 5.044 4.740 0.061 0.000 0.271 256 N C 0.858 176.423 175.510 0.092 0.000 1.315 256 N CA 1.265 54.405 53.050 0.149 0.000 0.835 256 N CB 0.938 39.406 38.487 -0.032 0.000 1.066 256 N HN 0.832 nan 8.380 nan 0.000 0.486 257 A N 2.848 125.617 122.820 -0.086 0.000 2.334 257 A HA 0.093 4.450 4.320 0.061 0.000 0.184 257 A C 0.137 177.177 177.584 -0.907 0.000 1.594 257 A CA -0.290 51.552 52.037 -0.325 0.000 1.162 257 A CB -0.089 18.756 19.000 -0.258 0.000 1.426 257 A HN 0.658 nan 8.150 nan 0.000 0.494 258 D N 2.038 121.906 120.400 -0.886 0.000 2.389 258 D HA 0.112 4.788 4.640 0.061 0.000 0.263 258 D C -1.369 174.652 176.300 -0.465 0.000 1.255 258 D CA -1.481 51.927 54.000 -0.987 0.000 0.914 258 D CB 1.218 41.851 40.800 -0.278 0.000 1.116 258 D HN 0.138 nan 8.370 nan 0.000 0.502 259 P HA -0.114 nan 4.420 nan 0.000 0.223 259 P C 0.715 177.955 177.300 -0.100 0.000 1.144 259 P CA 0.633 63.634 63.100 -0.166 0.000 0.783 259 P CB 0.148 31.803 31.700 -0.076 0.000 0.771 260 A N -0.126 122.655 122.820 -0.065 0.000 2.206 260 A HA 0.051 4.407 4.320 0.061 0.000 0.211 260 A C 1.344 178.866 177.584 -0.103 0.000 1.158 260 A CA 1.415 53.425 52.037 -0.045 0.000 0.761 260 A CB -0.941 18.069 19.000 0.017 0.000 0.801 260 A HN 0.338 nan 8.150 nan 0.000 0.473 261 T N -3.877 110.591 114.554 -0.144 0.000 3.672 261 T HA 0.484 4.871 4.350 0.061 0.000 0.296 261 T C 0.660 175.221 174.700 -0.233 0.000 0.979 261 T CA 0.201 62.180 62.100 -0.202 0.000 1.013 261 T CB -0.082 68.755 68.868 -0.051 0.000 1.184 261 T HN 0.364 nan 8.240 nan 0.000 0.477 262 G N 0.724 109.384 108.800 -0.233 0.000 2.525 262 G HA2 0.493 4.489 3.960 0.061 0.000 0.276 262 G HA3 0.493 4.489 3.960 0.061 0.000 0.276 262 G C -1.024 173.711 174.900 -0.275 0.000 1.388 262 G CA -0.686 44.276 45.100 -0.229 0.000 1.050 262 G HN 0.475 nan 8.290 nan 0.000 0.520 263 Y N -0.573 119.706 120.300 -0.035 0.000 2.341 263 Y HA 0.343 4.929 4.550 0.059 0.000 0.337 263 Y C 0.540 176.437 175.900 -0.005 0.000 1.014 263 Y CA -0.673 57.427 58.100 -0.001 0.000 1.111 263 Y CB 1.696 40.141 38.460 -0.026 0.000 1.194 263 Y HN 0.364 nan 8.280 nan 0.000 0.462 264 E N 4.312 124.622 120.200 0.182 0.000 2.194 264 E HA 0.457 4.844 4.350 0.061 0.000 0.284 264 E C -1.226 175.514 176.600 0.234 0.000 1.035 264 E CA -0.223 56.264 56.400 0.145 0.000 0.836 264 E CB 0.797 30.561 29.700 0.106 0.000 1.070 264 E HN 0.596 nan 8.360 nan 0.000 0.401 265 V N 0.970 120.947 119.914 0.106 0.000 3.167 265 V HA 0.628 4.784 4.120 0.061 0.000 0.310 265 V C -0.704 175.356 176.094 -0.055 0.000 1.207 265 V CA -1.000 61.233 62.300 -0.110 0.000 1.059 265 V CB 1.970 33.600 31.823 -0.321 0.000 1.079 265 V HN 0.287 nan 8.190 nan 0.000 0.446 266 V N 2.888 122.693 119.914 -0.182 0.000 2.376 266 V HA 0.532 4.689 4.120 0.061 0.000 0.287 266 V C -0.801 175.226 176.094 -0.113 0.000 1.015 266 V CA -0.261 62.006 62.300 -0.056 0.000 0.834 266 V CB 1.236 33.091 31.823 0.055 0.000 1.001 266 V HN 0.670 nan 8.190 nan 0.000 0.428 267 I N 3.688 124.218 120.570 -0.067 0.000 2.355 267 I HA 0.446 4.653 4.170 0.061 0.000 0.288 267 I C 0.099 176.203 176.117 -0.022 0.000 0.999 267 I CA -0.526 60.742 61.300 -0.054 0.000 1.163 267 I CB 1.104 39.076 38.000 -0.047 0.000 1.316 267 I HN 0.616 nan 8.210 nan 0.000 0.454 268 D N 5.530 125.924 120.400 -0.009 0.000 2.735 268 D HA -0.170 4.507 4.640 0.061 0.000 0.235 268 D C 1.371 177.671 176.300 0.001 0.000 1.175 268 D CA 1.555 55.557 54.000 0.003 0.000 0.683 268 D CB -0.971 39.831 40.800 0.004 0.000 1.008 268 D HN 1.117 nan 8.370 nan 0.000 0.416 269 G N 0.099 108.900 108.800 0.002 0.000 2.196 269 G HA2 -0.389 3.608 3.960 0.061 0.000 0.268 269 G HA3 -0.389 3.608 3.960 0.061 0.000 0.268 269 G C 0.195 175.099 174.900 0.006 0.000 0.975 269 G CA 0.805 45.910 45.100 0.007 0.000 0.648 269 G HN 0.674 nan 8.290 nan 0.000 0.538 270 E N 0.858 121.058 120.200 -0.000 0.000 2.151 270 E HA 0.514 4.900 4.350 0.061 0.000 0.275 270 E C -0.217 176.385 176.600 0.002 0.000 0.936 270 E CA -0.435 55.966 56.400 0.001 0.000 0.777 270 E CB 0.675 30.373 29.700 -0.003 0.000 1.108 270 E HN 0.089 nan 8.360 nan 0.000 0.401 271 T N 3.932 118.494 114.554 0.012 0.000 2.794 271 T HA 0.329 4.715 4.350 0.061 0.000 0.296 271 T C -0.367 174.340 174.700 0.012 0.000 0.949 271 T CA -0.113 62.002 62.100 0.024 0.000 1.101 271 T CB 1.127 70.013 68.868 0.029 0.000 0.905 271 T HN 0.596 nan 8.240 nan 0.000 0.516 272 T N 0.585 115.146 114.554 0.012 0.000 2.637 272 T HA 0.569 4.956 4.350 0.061 0.000 0.303 272 T C -1.060 173.643 174.700 0.006 0.000 1.288 272 T CA -0.696 61.405 62.100 0.001 0.000 1.040 272 T CB 0.951 69.814 68.868 -0.009 0.000 1.644 272 T HN 0.320 nan 8.240 nan 0.000 0.480 273 V N 1.075 120.987 119.914 -0.003 0.000 2.483 273 V HA 0.631 4.787 4.120 0.061 0.000 0.297 273 V C -0.901 175.191 176.094 -0.002 0.000 1.027 273 V CA -0.596 61.703 62.300 -0.001 0.000 0.855 273 V CB 1.205 33.012 31.823 -0.026 0.000 0.995 273 V HN 0.686 nan 8.190 nan 0.000 0.424 274 I N 2.830 123.411 120.570 0.018 0.000 2.828 274 I HA 0.870 5.076 4.170 0.061 0.000 0.302 274 I C 0.616 176.757 176.117 0.040 0.000 1.101 274 I CA -0.368 60.932 61.300 -0.001 0.000 1.031 274 I CB 2.612 40.591 38.000 -0.034 0.000 1.231 274 I HN 0.756 nan 8.210 nan 0.000 0.427 275 G N 1.752 110.534 108.800 -0.029 0.000 3.107 275 G HA2 0.774 4.771 3.960 0.061 0.000 0.233 275 G HA3 0.774 4.771 3.960 0.061 0.000 0.233 275 G C -0.384 174.411 174.900 -0.174 0.000 1.168 275 G CA -0.403 44.654 45.100 -0.071 0.000 0.801 275 G HN 1.136 nan 8.290 nan 0.000 0.605 276 G N -2.136 106.412 108.800 -0.420 0.000 2.712 276 G HA2 0.248 4.245 3.960 0.061 0.000 0.683 276 G HA3 0.248 4.245 3.960 0.061 0.000 0.683 276 G C 0.910 175.735 174.900 -0.125 0.000 1.320 276 G CA 0.621 45.539 45.100 -0.303 0.000 0.847 276 G HN 1.847 nan 8.290 nan 0.000 0.553 277 T N -1.990 112.606 114.554 0.069 0.000 3.035 277 T HA 0.063 4.449 4.350 0.061 0.000 0.268 277 T C 2.521 177.217 174.700 -0.007 0.000 1.109 277 T CA 2.032 64.175 62.100 0.071 0.000 1.119 277 T CB -0.336 68.630 68.868 0.163 0.000 0.900 277 T HN 1.803 nan 8.240 nan 0.000 0.503 278 S N 1.373 117.050 115.700 -0.038 0.000 2.555 278 S HA 0.311 4.818 4.470 0.061 0.000 0.230 278 S C 2.147 176.665 174.600 -0.136 0.000 0.978 278 S CA 0.292 58.443 58.200 -0.081 0.000 0.934 278 S CB -0.439 62.685 63.200 -0.127 0.000 0.766 278 S HN 0.678 nan 8.310 nan 0.000 0.533 279 A N 1.202 123.913 122.820 -0.181 0.000 2.081 279 A HA 0.332 4.688 4.320 0.061 0.000 0.214 279 A C 2.131 179.515 177.584 -0.333 0.000 1.158 279 A CA 0.623 52.461 52.037 -0.333 0.000 0.724 279 A CB -0.503 18.199 19.000 -0.496 0.000 0.826 279 A HN 0.402 nan 8.150 nan 0.000 0.463 280 V N -0.020 119.755 119.914 -0.232 0.000 2.453 280 V HA -0.181 3.975 4.120 0.061 0.000 0.247 280 V C 2.965 178.850 176.094 -0.348 0.000 1.048 280 V CA 1.685 63.784 62.300 -0.336 0.000 1.049 280 V CB -1.129 30.556 31.823 -0.231 0.000 0.672 280 V HN 0.556 nan 8.190 nan 0.000 0.457 281 A N 1.153 123.885 122.820 -0.145 0.000 1.877 281 A HA -0.070 4.287 4.320 0.061 0.000 0.216 281 A C 0.758 178.327 177.584 -0.024 0.000 1.186 281 A CA 1.909 53.923 52.037 -0.038 0.000 0.620 281 A CB -1.740 17.266 19.000 0.011 0.000 0.822 281 A HN 0.576 nan 8.150 nan 0.000 0.443 282 P HA -0.107 nan 4.420 nan 0.000 0.220 282 P C 1.859 179.159 177.300 0.000 0.000 1.152 282 P CA 0.595 63.681 63.100 -0.024 0.000 0.812 282 P CB -0.155 31.507 31.700 -0.063 0.000 0.792 283 L N -1.022 120.142 121.223 -0.098 0.000 1.990 283 L HA -0.189 4.188 4.340 0.061 0.000 0.213 283 L C 2.346 179.376 176.870 0.267 0.000 1.072 283 L CA 2.244 57.070 54.840 -0.022 0.000 0.755 283 L CB -0.768 41.126 42.059 -0.274 0.000 0.889 283 L HN -0.100 nan 8.230 nan 0.000 0.432 284 F N -0.163 119.890 119.950 0.171 0.000 2.456 284 F HA 0.046 4.600 4.527 0.045 0.000 0.298 284 F C 2.555 178.381 175.800 0.043 0.000 1.104 284 F CA 0.415 58.473 58.000 0.097 0.000 1.435 284 F CB -1.394 37.632 39.000 0.043 0.000 1.078 284 F HN 0.101 nan 8.300 nan 0.000 0.546 285 A N 0.190 123.140 122.820 0.217 0.000 1.933 285 A HA 0.004 4.361 4.320 0.061 0.000 0.218 285 A C 2.456 180.113 177.584 0.121 0.000 1.175 285 A CA 1.636 53.752 52.037 0.130 0.000 0.628 285 A CB -1.033 18.023 19.000 0.093 0.000 0.814 285 A HN 0.254 nan 8.150 nan 0.000 0.444 286 A N -0.585 122.338 122.820 0.172 0.000 2.014 286 A HA 0.085 4.442 4.320 0.061 0.000 0.218 286 A C 2.124 179.808 177.584 0.166 0.000 1.163 286 A CA 1.166 53.312 52.037 0.182 0.000 0.652 286 A CB -0.455 18.691 19.000 0.242 0.000 0.808 286 A HN 0.519 nan 8.150 nan 0.000 0.449 287 L N -0.096 121.209 121.223 0.137 0.000 2.017 287 L HA -0.138 4.238 4.340 0.061 0.000 0.208 287 L C 2.384 179.170 176.870 -0.140 0.000 1.073 287 L CA 1.604 56.312 54.840 -0.220 0.000 0.745 287 L CB -0.276 41.532 42.059 -0.419 0.000 0.894 287 L HN 0.260 nan 8.230 nan 0.000 0.432 288 V N 0.299 120.184 119.914 -0.049 0.000 2.407 288 V HA -0.277 3.879 4.120 0.061 0.000 0.248 288 V C 2.830 178.910 176.094 -0.023 0.000 1.055 288 V CA 1.589 63.862 62.300 -0.045 0.000 1.049 288 V CB -1.027 30.793 31.823 -0.004 0.000 0.662 288 V HN 0.582 nan 8.190 nan 0.000 0.455 289 A N 0.055 122.881 122.820 0.011 0.000 1.908 289 A HA -0.234 4.122 4.320 0.061 0.000 0.218 289 A C 2.400 179.987 177.584 0.005 0.000 1.181 289 A CA 1.847 53.895 52.037 0.018 0.000 0.627 289 A CB -0.468 18.556 19.000 0.041 0.000 0.818 289 A HN 0.522 nan 8.150 nan 0.000 0.445 290 R N -1.064 119.436 120.500 0.000 0.000 2.075 290 R HA -0.081 4.296 4.340 0.061 0.000 0.232 290 R C 1.920 178.199 176.300 -0.035 0.000 1.126 290 R CA 1.462 57.557 56.100 -0.008 0.000 0.963 290 R CB -0.526 29.773 30.300 -0.001 0.000 0.858 290 R HN 0.476 nan 8.270 nan 0.000 0.435 291 I N 1.613 122.145 120.570 -0.064 0.000 2.179 291 I HA -0.269 3.937 4.170 0.061 0.000 0.242 291 I C 1.844 177.934 176.117 -0.045 0.000 1.088 291 I CA 1.422 62.680 61.300 -0.070 0.000 1.357 291 I CB -0.588 37.354 38.000 -0.097 0.000 1.051 291 I HN 0.083 nan 8.210 nan 0.000 0.409 292 N N 0.201 118.880 118.700 -0.034 0.000 2.104 292 N HA -0.251 4.526 4.740 0.061 0.000 0.190 292 N C 1.821 177.323 175.510 -0.015 0.000 1.024 292 N CA 1.187 54.224 53.050 -0.021 0.000 0.853 292 N CB -0.410 38.071 38.487 -0.010 0.000 1.008 292 N HN 0.518 nan 8.380 nan 0.000 0.424 293 Q N 0.694 120.487 119.800 -0.011 0.000 2.002 293 Q HA -0.217 4.160 4.340 0.061 0.000 0.204 293 Q C 1.857 177.851 176.000 -0.011 0.000 0.988 293 Q CA 1.766 57.565 55.803 -0.007 0.000 0.843 293 Q CB -0.064 28.672 28.738 -0.002 0.000 0.908 293 Q HN 0.022 nan 8.270 nan 0.000 0.420 294 K N 0.438 120.828 120.400 -0.017 0.000 2.020 294 K HA -0.077 4.280 4.320 0.061 0.000 0.212 294 K C 0.643 177.231 176.600 -0.020 0.000 1.050 294 K CA 1.100 57.376 56.287 -0.019 0.000 0.929 294 K CB -0.657 31.827 32.500 -0.027 0.000 0.714 294 K HN 0.223 nan 8.250 nan 0.000 0.443 295 L N -0.463 120.745 121.223 -0.025 0.000 2.464 295 L HA 0.125 4.502 4.340 0.061 0.000 0.264 295 L C 1.766 178.626 176.870 -0.016 0.000 1.199 295 L CA 0.095 54.921 54.840 -0.023 0.000 0.818 295 L CB 0.695 42.737 42.059 -0.029 0.000 1.102 295 L HN 0.373 nan 8.230 nan 0.000 0.473 296 G N 0.957 109.748 108.800 -0.014 0.000 2.421 296 G HA2 -0.092 3.904 3.960 0.061 0.000 0.217 296 G HA3 -0.092 3.904 3.960 0.061 0.000 0.217 296 G C 0.573 175.469 174.900 -0.008 0.000 1.143 296 G CA 0.372 45.467 45.100 -0.009 0.000 0.784 296 G HN 0.564 nan 8.290 nan 0.000 0.541 297 K N 0.518 120.912 120.400 -0.010 0.000 2.352 297 K HA 0.480 4.837 4.320 0.061 0.000 0.240 297 K C -3.243 173.351 176.600 -0.008 0.000 1.017 297 K CA -2.444 53.839 56.287 -0.007 0.000 0.851 297 K CB 1.375 33.872 32.500 -0.006 0.000 1.261 297 K HN -0.140 nan 8.250 nan 0.000 0.451 298 P HA 0.049 nan 4.420 nan 0.000 0.271 298 P C 0.877 178.173 177.300 -0.007 0.000 1.216 298 P CA -0.373 62.725 63.100 -0.004 0.000 0.771 298 P CB 1.087 32.788 31.700 0.002 0.000 0.864 299 V N 3.161 123.067 119.914 -0.014 0.000 2.759 299 V HA -0.088 4.069 4.120 0.061 0.000 0.256 299 V C 1.757 177.847 176.094 -0.006 0.000 1.080 299 V CA 2.365 64.651 62.300 -0.023 0.000 1.101 299 V CB -1.432 30.367 31.823 -0.039 0.000 0.698 299 V HN 1.083 nan 8.190 nan 0.000 0.477 300 G N -0.980 107.828 108.800 0.013 0.000 2.627 300 G HA2 -0.397 3.600 3.960 0.061 0.000 0.312 300 G HA3 -0.397 3.600 3.960 0.061 0.000 0.312 300 G C 0.195 175.151 174.900 0.093 0.000 1.299 300 G CA 0.649 45.777 45.100 0.047 0.000 0.989 300 G HN 0.575 nan 8.290 nan 0.000 0.547 301 Y N 0.679 120.954 120.300 -0.041 0.000 2.713 301 Y HA 0.249 4.829 4.550 0.050 0.000 0.341 301 Y C 1.516 177.348 175.900 -0.114 0.000 1.167 301 Y CA -0.324 57.740 58.100 -0.061 0.000 1.503 301 Y CB 0.253 38.699 38.460 -0.024 0.000 1.199 301 Y HN 0.459 nan 8.280 nan 0.000 0.525 302 L N 6.143 127.268 121.223 -0.163 0.000 2.470 302 L HA 0.005 4.382 4.340 0.061 0.000 0.219 302 L C 1.571 178.155 176.870 -0.477 0.000 1.071 302 L CA 0.968 55.642 54.840 -0.277 0.000 0.850 302 L CB -0.700 41.278 42.059 -0.134 0.000 1.040 302 L HN 0.721 nan 8.230 nan 0.000 0.475 303 N N 0.633 118.923 118.700 -0.684 0.000 2.027 303 N HA -0.244 4.533 4.740 0.061 0.000 0.200 303 N C -0.962 173.944 175.510 -1.006 0.000 1.042 303 N CA 2.033 54.575 53.050 -0.848 0.000 0.871 303 N CB -1.231 36.517 38.487 -1.231 0.000 1.063 303 N HN 0.274 nan 8.380 nan 0.000 0.438 304 P HA -0.122 nan 4.420 nan 0.000 0.216 304 P C 1.291 178.384 177.300 -0.345 0.000 1.153 304 P CA 1.626 64.191 63.100 -0.892 0.000 0.858 304 P CB -0.112 31.135 31.700 -0.755 0.000 0.789 305 T N -0.507 113.847 114.554 -0.334 0.000 2.777 305 T HA -0.071 4.316 4.350 0.061 0.000 0.266 305 T C 1.765 176.408 174.700 -0.095 0.000 1.040 305 T CA 0.955 62.954 62.100 -0.168 0.000 1.141 305 T CB -0.907 67.863 68.868 -0.164 0.000 0.868 305 T HN 0.037 nan 8.240 nan 0.000 0.444 306 L N -0.256 120.898 121.223 -0.115 0.000 1.989 306 L HA -0.146 4.231 4.340 0.061 0.000 0.211 306 L C 2.312 179.130 176.870 -0.086 0.000 1.071 306 L CA 1.698 56.501 54.840 -0.062 0.000 0.749 306 L CB -0.715 41.280 42.059 -0.108 0.000 0.890 306 L HN 0.291 nan 8.230 nan 0.000 0.431 307 Y N -0.176 120.067 120.300 -0.095 0.000 2.651 307 Y HA -0.202 4.376 4.550 0.046 0.000 0.296 307 Y C 2.452 178.350 175.900 -0.004 0.000 1.150 307 Y CA 0.938 59.026 58.100 -0.020 0.000 1.348 307 Y CB -0.250 38.268 38.460 0.096 0.000 0.983 307 Y HN 0.364 nan 8.280 nan 0.000 0.555 308 Q N 0.135 119.987 119.800 0.087 0.000 2.179 308 Q HA 0.150 4.527 4.340 0.061 0.000 0.213 308 Q C -0.434 175.585 176.000 0.033 0.000 0.833 308 Q CA 0.088 55.926 55.803 0.058 0.000 0.990 308 Q CB 0.040 28.805 28.738 0.045 0.000 1.132 308 Q HN 0.417 nan 8.270 nan 0.000 0.493 309 L N 3.101 124.346 121.223 0.037 0.000 2.439 309 L HA 0.427 4.804 4.340 0.061 0.000 0.261 309 L C -1.748 175.156 176.870 0.058 0.000 1.153 309 L CA -1.940 52.927 54.840 0.046 0.000 0.808 309 L CB 0.370 42.476 42.059 0.078 0.000 1.126 309 L HN 0.127 nan 8.230 nan 0.000 0.460 310 P HA 0.123 nan 4.420 nan 0.000 0.272 310 P C -2.216 175.129 177.300 0.075 0.000 1.230 310 P CA -1.313 61.812 63.100 0.042 0.000 0.788 310 P CB 0.104 31.815 31.700 0.020 0.000 0.949 311 P HA -0.213 nan 4.420 nan 0.000 0.216 311 P C 1.282 178.637 177.300 0.093 0.000 1.150 311 P CA 1.662 64.813 63.100 0.084 0.000 0.843 311 P CB -0.085 31.646 31.700 0.052 0.000 0.787 312 E N -0.034 120.194 120.200 0.048 0.000 2.267 312 E HA -0.104 4.283 4.350 0.061 0.000 0.197 312 E C 1.556 178.140 176.600 -0.027 0.000 0.998 312 E CA 0.551 56.961 56.400 0.018 0.000 0.830 312 E CB -0.431 29.267 29.700 -0.003 0.000 0.751 312 E HN 0.292 nan 8.360 nan 0.000 0.491 313 V N 1.383 121.268 119.914 -0.048 0.000 3.078 313 V HA -0.066 4.090 4.120 0.061 0.000 0.265 313 V C 0.096 175.835 176.094 -0.591 0.000 1.122 313 V CA -0.053 62.077 62.300 -0.283 0.000 1.141 313 V CB -0.640 31.006 31.823 -0.294 0.000 0.735 313 V HN -0.153 nan 8.190 nan 0.000 0.498 314 F N -1.579 118.331 119.950 -0.066 0.000 2.565 314 F HA 0.442 5.005 4.527 0.060 0.000 0.313 314 F C 0.082 175.892 175.800 0.017 0.000 1.091 314 F CA -1.404 56.558 58.000 -0.063 0.000 0.915 314 F CB 1.161 40.094 39.000 -0.111 0.000 1.208 314 F HN -0.718 nan 8.300 nan 0.000 0.453 315 H N 3.031 122.164 119.070 0.104 0.000 2.782 315 H HA 0.080 4.672 4.556 0.060 0.000 0.285 315 H C -0.819 174.558 175.328 0.082 0.000 1.093 315 H CA -0.615 55.480 56.048 0.077 0.000 1.410 315 H CB 0.670 30.477 29.762 0.075 0.000 1.439 315 H HN 0.541 nan 8.280 nan 0.000 0.469 316 D N 5.241 125.526 120.400 -0.192 0.000 2.401 316 D HA 0.035 4.711 4.640 0.061 0.000 0.254 316 D C -0.304 175.787 176.300 -0.348 0.000 1.192 316 D CA -0.159 53.713 54.000 -0.213 0.000 0.885 316 D CB 0.367 41.095 40.800 -0.119 0.000 1.147 316 D HN 0.417 nan 8.370 nan 0.000 0.478 317 I N 2.998 123.431 120.570 -0.229 0.000 2.315 317 I HA 0.108 4.314 4.170 0.061 0.000 0.291 317 I C 1.573 177.615 176.117 -0.125 0.000 1.006 317 I CA 0.031 61.228 61.300 -0.173 0.000 1.265 317 I CB 1.545 39.492 38.000 -0.088 0.000 1.387 317 I HN 0.420 nan 8.210 nan 0.000 0.475 318 T N 1.050 115.549 114.554 -0.092 0.000 3.043 318 T HA 0.368 4.755 4.350 0.061 0.000 0.272 318 T C 0.442 175.123 174.700 -0.032 0.000 0.990 318 T CA -0.215 61.849 62.100 -0.061 0.000 0.897 318 T CB -0.039 68.800 68.868 -0.048 0.000 1.111 318 T HN 0.444 nan 8.240 nan 0.000 0.529 319 E N 0.815 121.004 120.200 -0.019 0.000 2.183 319 E HA 0.596 4.983 4.350 0.061 0.000 0.271 319 E C 0.085 176.692 176.600 0.011 0.000 0.919 319 E CA -0.594 55.807 56.400 0.002 0.000 0.781 319 E CB 1.757 31.467 29.700 0.016 0.000 1.140 319 E HN 0.574 nan 8.360 nan 0.000 0.402 320 G N 2.504 111.311 108.800 0.012 0.000 2.462 320 G HA2 -0.081 3.916 3.960 0.061 0.000 0.685 320 G HA3 -0.081 3.916 3.960 0.061 0.000 0.685 320 G C -1.252 173.653 174.900 0.007 0.000 1.295 320 G CA -0.552 44.558 45.100 0.016 0.000 0.941 320 G HN 0.743 nan 8.290 nan 0.000 0.554 321 N N -1.525 117.179 118.700 0.006 0.000 2.708 321 N HA 0.600 5.377 4.740 0.061 0.000 0.257 321 N C -0.199 175.309 175.510 -0.003 0.000 1.373 321 N CA -0.321 52.733 53.050 0.005 0.000 0.843 321 N CB 1.302 39.788 38.487 -0.002 0.000 1.503 321 N HN 0.848 nan 8.380 nan 0.000 0.504 322 N N -0.625 118.082 118.700 0.012 0.000 2.458 322 N HA 0.117 4.894 4.740 0.061 0.000 0.274 322 N C -1.255 174.256 175.510 0.001 0.000 1.242 322 N CA -0.241 52.803 53.050 -0.010 0.000 0.904 322 N CB 0.017 38.519 38.487 0.026 0.000 1.206 322 N HN 0.621 nan 8.380 nan 0.000 0.510 323 D N 1.251 121.648 120.400 -0.005 0.000 2.317 323 D HA 0.191 4.868 4.640 0.061 0.000 0.234 323 D C 1.075 177.372 176.300 -0.005 0.000 1.112 323 D CA -0.540 53.473 54.000 0.021 0.000 0.840 323 D CB 1.016 41.827 40.800 0.018 0.000 1.078 323 D HN 0.432 nan 8.370 nan 0.000 0.486 324 I N 0.633 121.201 120.570 -0.004 0.000 4.081 324 I HA 0.408 4.614 4.170 0.061 0.000 0.333 324 I C 1.004 177.114 176.117 -0.012 0.000 1.413 324 I CA -0.462 60.821 61.300 -0.029 0.000 1.110 324 I CB 0.803 38.764 38.000 -0.064 0.000 1.082 324 I HN 0.212 nan 8.210 nan 0.000 0.402 325 A N 1.922 124.744 122.820 0.005 0.000 1.993 325 A HA 0.298 4.654 4.320 0.061 0.000 0.207 325 A C 0.887 178.466 177.584 -0.009 0.000 1.224 325 A CA 0.517 52.547 52.037 -0.011 0.000 0.749 325 A CB -0.027 18.950 19.000 -0.037 0.000 0.884 325 A HN 0.639 nan 8.150 nan 0.000 0.467 326 N N -2.503 116.203 118.700 0.010 0.000 3.418 326 N HA 0.291 5.067 4.740 0.061 0.000 0.316 326 N C -0.696 174.823 175.510 0.016 0.000 1.601 326 N CA -0.852 52.204 53.050 0.010 0.000 0.805 326 N CB 0.486 38.982 38.487 0.014 0.000 1.873 326 N HN -0.141 nan 8.380 nan 0.000 0.615 327 R N -0.581 119.926 120.500 0.013 0.000 2.334 327 R HA 0.258 4.635 4.340 0.061 0.000 0.216 327 R C 1.221 177.526 176.300 0.007 0.000 0.905 327 R CA 0.143 56.248 56.100 0.008 0.000 1.064 327 R CB -0.690 29.613 30.300 0.004 0.000 1.046 327 R HN 0.700 nan 8.270 nan 0.000 0.508 328 A N 1.352 124.181 122.820 0.016 0.000 2.209 328 A HA -0.062 4.295 4.320 0.061 0.000 0.212 328 A C 0.518 178.086 177.584 -0.027 0.000 1.158 328 A CA 0.081 52.119 52.037 0.003 0.000 0.742 328 A CB -0.288 18.728 19.000 0.026 0.000 0.790 328 A HN 0.321 nan 8.150 nan 0.000 0.472 329 R N -1.395 119.092 120.500 -0.022 0.000 3.322 329 R HA -0.167 4.209 4.340 0.061 0.000 0.253 329 R C -0.813 175.425 176.300 -0.103 0.000 0.987 329 R CA 0.722 56.798 56.100 -0.039 0.000 0.666 329 R CB -2.191 28.095 30.300 -0.024 0.000 1.072 329 R HN 0.576 nan 8.270 nan 0.000 0.447 330 I N 1.387 121.839 120.570 -0.196 0.000 2.452 330 I HA 0.041 4.248 4.170 0.061 0.000 0.287 330 I C 0.425 176.225 176.117 -0.528 0.000 1.079 330 I CA 0.229 61.217 61.300 -0.520 0.000 1.387 330 I CB 0.170 37.541 38.000 -1.048 0.000 1.404 330 I HN 0.220 nan 8.210 nan 0.000 0.522 331 Y N 3.864 124.065 120.300 -0.164 0.000 2.822 331 Y HA -0.195 4.394 4.550 0.066 0.000 0.039 331 Y C 0.054 175.908 175.900 -0.077 0.000 2.087 331 Y CA -0.373 57.663 58.100 -0.108 0.000 1.180 331 Y CB -0.528 37.872 38.460 -0.099 0.000 1.859 331 Y HN 0.620 nan 8.280 nan 0.000 0.292 332 Q N 2.067 121.924 119.800 0.096 0.000 2.297 332 Q HA 0.880 5.256 4.340 0.061 0.000 0.268 332 Q C -0.418 175.586 176.000 0.007 0.000 1.045 332 Q CA -0.305 55.517 55.803 0.031 0.000 0.861 332 Q CB 2.103 30.851 28.738 0.017 0.000 1.344 332 Q HN 0.607 nan 8.270 nan 0.000 0.452 333 A N 0.586 123.394 122.820 -0.019 0.000 2.271 333 A HA 0.844 5.201 4.320 0.061 0.000 0.288 333 A C -0.044 177.516 177.584 -0.039 0.000 1.094 333 A CA 0.464 52.467 52.037 -0.057 0.000 0.828 333 A CB 0.885 19.850 19.000 -0.057 0.000 1.091 333 A HN 0.794 nan 8.150 nan 0.000 0.493 334 G N -0.639 108.129 108.800 -0.054 0.000 2.619 334 G HA2 0.666 4.663 3.960 0.061 0.000 0.305 334 G HA3 0.666 4.663 3.960 0.061 0.000 0.305 334 G C -3.310 171.568 174.900 -0.036 0.000 1.330 334 G CA -0.826 44.257 45.100 -0.027 0.000 0.789 334 G HN 0.589 nan 8.290 nan 0.000 0.487 335 P HA 0.451 nan 4.420 nan 0.000 0.275 335 P C 0.725 178.021 177.300 -0.006 0.000 1.227 335 P CA 1.402 64.492 63.100 -0.017 0.000 0.781 335 P CB 1.163 32.862 31.700 -0.002 0.000 0.906 336 G N 2.577 111.366 108.800 -0.019 0.000 2.741 336 G HA2 -0.236 3.761 3.960 0.061 0.000 0.222 336 G HA3 -0.236 3.761 3.960 0.061 0.000 0.222 336 G C -1.008 173.897 174.900 0.007 0.000 1.364 336 G CA -0.420 44.686 45.100 0.010 0.000 0.866 336 G HN 0.640 nan 8.290 nan 0.000 0.555 337 W N 2.043 123.294 121.300 -0.082 0.000 2.314 337 W HA 0.417 5.094 4.660 0.028 0.000 0.339 337 W C 0.682 177.174 176.519 -0.046 0.000 1.293 337 W CA 1.359 58.660 57.345 -0.074 0.000 1.288 337 W CB 0.252 29.704 29.460 -0.013 0.000 1.186 337 W HN 0.943 nan 8.180 nan 0.000 0.566 338 D N 3.994 123.819 120.400 -0.958 0.000 2.596 338 D HA 0.361 5.038 4.640 0.061 0.000 0.234 338 D C -2.624 172.874 176.300 -1.336 0.000 1.181 338 D CA -1.992 51.559 54.000 -0.748 0.000 0.856 338 D CB 1.817 42.420 40.800 -0.327 0.000 1.498 338 D HN 0.036 nan 8.370 nan 0.000 0.446 339 P HA 0.199 nan 4.420 nan 0.000 0.258 339 P C -0.086 177.055 177.300 -0.265 0.000 1.403 339 P CA 0.110 62.940 63.100 -0.450 0.000 0.826 339 P CB -0.086 31.352 31.700 -0.437 0.000 1.414 340 C N -2.738 116.387 119.300 -0.291 0.000 2.683 340 C HA 0.129 4.626 4.460 0.061 0.000 0.491 340 C C 1.844 176.756 174.990 -0.130 0.000 1.342 340 C CA 1.047 59.992 59.018 -0.121 0.000 2.476 340 C CB -0.394 27.306 27.740 -0.067 0.000 3.150 340 C HN 0.285 nan 8.230 nan 0.000 0.551 341 T N -2.449 111.950 114.554 -0.259 0.000 3.087 341 T HA 0.473 4.860 4.350 0.061 0.000 0.283 341 T C 1.121 175.606 174.700 -0.358 0.000 0.956 341 T CA 1.145 63.122 62.100 -0.204 0.000 0.894 341 T CB 0.225 69.015 68.868 -0.130 0.000 1.160 341 T HN 0.865 nan 8.240 nan 0.000 0.532 342 G N 2.982 111.338 108.800 -0.740 0.000 2.634 342 G HA2 -0.332 3.665 3.960 0.061 0.000 0.309 342 G HA3 -0.332 3.665 3.960 0.061 0.000 0.309 342 G C 0.693 175.125 174.900 -0.779 0.000 1.265 342 G CA 0.431 44.872 45.100 -1.099 0.000 0.998 342 G HN 0.563 nan 8.290 nan 0.000 0.551 343 L N 2.522 123.435 121.223 -0.516 0.000 2.551 343 L HA 0.374 4.751 4.340 0.061 0.000 0.228 343 L C 1.903 178.484 176.870 -0.480 0.000 1.153 343 L CA 0.985 55.434 54.840 -0.651 0.000 0.851 343 L CB -1.351 39.934 42.059 -1.290 0.000 0.959 343 L HN 1.891 nan 8.230 nan 0.000 0.451 344 G N -0.159 108.482 108.800 -0.266 0.000 2.472 344 G HA2 -0.210 3.787 3.960 0.061 0.000 0.205 344 G HA3 -0.210 3.787 3.960 0.061 0.000 0.205 344 G C -0.336 174.609 174.900 0.075 0.000 1.270 344 G CA -0.297 44.763 45.100 -0.066 0.000 0.974 344 G HN 0.278 nan 8.290 nan 0.000 0.542 345 S N 1.756 117.506 115.700 0.083 0.000 2.499 345 S HA 0.736 5.243 4.470 0.061 0.000 0.279 345 S C -1.948 172.568 174.600 -0.140 0.000 1.219 345 S CA -0.539 57.598 58.200 -0.105 0.000 1.062 345 S CB 2.230 65.249 63.200 -0.301 0.000 0.978 345 S HN 0.786 nan 8.310 nan 0.000 0.489 346 P HA 0.348 nan 4.420 nan 0.000 0.274 346 P C -0.813 176.214 177.300 -0.454 0.000 1.237 346 P CA -0.591 62.096 63.100 -0.688 0.000 0.793 346 P CB 0.602 31.813 31.700 -0.816 0.000 0.977 347 I N 2.898 123.202 120.570 -0.445 0.000 2.371 347 I HA 0.221 4.428 4.170 0.061 0.000 0.282 347 I C 2.121 178.090 176.117 -0.246 0.000 1.031 347 I CA -0.775 60.400 61.300 -0.209 0.000 1.180 347 I CB 1.037 38.942 38.000 -0.158 0.000 1.336 347 I HN 0.299 nan 8.210 nan 0.000 0.467 348 G N 7.554 116.244 108.800 -0.183 0.000 2.766 348 G HA2 -0.282 3.714 3.960 0.061 0.000 0.222 348 G HA3 -0.282 3.714 3.960 0.061 0.000 0.222 348 G C 1.734 176.522 174.900 -0.188 0.000 1.225 348 G CA 1.565 46.518 45.100 -0.244 0.000 0.784 348 G HN 0.530 nan 8.290 nan 0.000 0.631 349 I N -0.323 120.185 120.570 -0.104 0.000 2.264 349 I HA -0.218 3.989 4.170 0.061 0.000 0.248 349 I C 3.014 179.067 176.117 -0.106 0.000 1.111 349 I CA 1.381 62.631 61.300 -0.083 0.000 1.382 349 I CB -0.242 37.731 38.000 -0.044 0.000 1.060 349 I HN 0.049 nan 8.210 nan 0.000 0.418 350 R N 1.023 121.446 120.500 -0.128 0.000 2.115 350 R HA -0.052 4.325 4.340 0.061 0.000 0.226 350 R C 2.329 178.521 176.300 -0.179 0.000 1.100 350 R CA 1.117 57.135 56.100 -0.137 0.000 0.980 350 R CB -0.172 30.046 30.300 -0.138 0.000 0.875 350 R HN 0.060 nan 8.270 nan 0.000 0.445 351 L N 1.509 122.584 121.223 -0.247 0.000 2.072 351 L HA -0.159 nan 4.340 nan 0.000 0.205 351 L C 1.077 177.834 176.870 -0.188 0.000 1.079 351 L CA 2.414 57.090 54.840 -0.272 0.000 0.752 351 L CB -0.005 41.830 42.059 -0.373 0.000 0.906 351 L HN -0.102 7.881 8.230 -0.262 0.090 0.436 352 L N -1.720 119.400 121.223 -0.170 0.000 2.017 352 L HA -0.499 nan 4.340 nan 0.000 0.208 352 L C 1.540 178.352 176.870 -0.097 0.000 1.073 352 L CA 3.385 58.150 54.840 -0.126 0.000 0.745 352 L CB -0.423 41.570 42.059 -0.110 0.000 0.894 352 L HN 0.119 8.236 8.230 -0.188 0.000 0.432 353 Q N -2.297 117.449 119.800 -0.091 0.000 2.061 353 Q HA -0.327 nan 4.340 nan 0.000 0.204 353 Q C 2.797 178.758 176.000 -0.066 0.000 0.984 353 Q CA 3.008 58.769 55.803 -0.070 0.000 0.846 353 Q CB 0.053 28.752 28.738 -0.064 0.000 0.902 353 Q HN 0.118 8.209 8.270 -0.103 0.117 0.421 354 A N -0.300 122.472 122.820 -0.080 0.000 2.019 354 A HA -0.158 nan 4.320 nan 0.000 0.219 354 A C 0.991 178.537 177.584 -0.063 0.000 1.164 354 A CA 2.554 54.550 52.037 -0.069 0.000 0.644 354 A CB -0.249 18.704 19.000 -0.079 0.000 0.805 354 A HN -0.186 7.904 8.150 -0.100 0.000 0.449 355 L N -4.450 116.728 121.223 -0.074 0.000 2.741 355 L HA 0.080 nan 4.340 nan 0.000 0.237 355 L C 0.054 176.892 176.870 -0.055 0.000 1.178 355 L CA -0.247 54.553 54.840 -0.066 0.000 0.973 355 L CB 0.373 42.384 42.059 -0.080 0.000 1.255 355 L HN -0.543 7.539 8.230 -0.088 0.095 0.498 356 L N -0.440 120.753 121.223 -0.050 0.000 2.888 356 L HA 0.123 nan 4.340 nan 0.000 0.237 356 L C -1.600 175.251 176.870 -0.031 0.000 1.288 356 L CA -0.801 54.015 54.840 -0.040 0.000 1.110 356 L CB -1.086 40.949 42.059 -0.039 0.000 1.441 356 L HN -0.608 7.417 8.230 -0.053 0.173 0.474 357 P HA 0.000 nan 4.420 nan 0.000 0.216 357 P CA 0.000 63.086 63.100 -0.024 0.000 0.800 357 P CB 0.000 31.687 31.700 -0.021 0.000 0.726