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 1bjw_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRGLSRRVQA MKPSATVAVN AKALELRRQG VDLVALTAGE PDFDTPEHVK DATA SEQUENCE EAARRALAQG KTKYAPPAGI PELREALAEK FRRENGLSVT PEETIVTVGG DATA SEQUENCE KQALFNLFQA ILDPGDEVIV LSPYWVSYPE MVRFAGGVVV EVETLPEEGF DATA SEQUENCE VPDPERVRRA ITPRTKALVV NSPNNPTGAV YPKEVLEALA RLAVEHDFYL DATA SEQUENCE VSDEIYEHLL YEGEHFSPGR VAPEHTLTVN GAAXAFAMTG WRIGYACGPK DATA SEQUENCE EVIKAMASVS SQSTTSPDTI AQWATLEALT NQEASRAFVE MAREAYRRRR DATA SEQUENCE DLLLEGLTAL GLKAVRPSGA FYVLMDTSPI APDEVRAAER LLEAGVAVVP DATA SEQUENCE GTDFAAFGHV RLSYATSEEN LRKALERFAR VL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.002 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 2 R N 0.565 121.066 120.500 0.003 0.000 2.705 2 R HA 0.969 5.309 4.340 -0.000 0.000 0.246 2 R C -0.384 175.918 176.300 0.004 0.000 1.142 2 R CA -0.348 55.754 56.100 0.004 0.000 1.114 2 R CB 1.467 31.770 30.300 0.005 0.000 1.256 2 R HN 1.104 nan 8.270 nan 0.000 0.536 3 G N 0.093 108.896 108.800 0.005 0.000 2.428 3 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.681 3 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.681 3 G C -1.102 173.802 174.900 0.007 0.000 1.340 3 G CA -1.077 44.026 45.100 0.005 0.000 0.915 3 G HN 0.342 nan 8.290 nan 0.000 0.645 4 L N 0.776 122.004 121.223 0.009 0.000 2.466 4 L HA 0.558 4.898 4.340 -0.000 0.000 0.257 4 L C 1.634 178.507 176.870 0.005 0.000 1.189 4 L CA -0.237 54.611 54.840 0.013 0.000 0.813 4 L CB 1.045 43.116 42.059 0.020 0.000 1.118 4 L HN 0.919 nan 8.230 nan 0.000 0.471 5 S N 0.284 115.986 115.700 0.004 0.000 2.603 5 S HA 0.247 4.717 4.470 -0.000 0.000 0.268 5 S C 0.947 175.533 174.600 -0.024 0.000 1.317 5 S CA -0.690 57.500 58.200 -0.018 0.000 1.012 5 S CB 1.226 64.405 63.200 -0.035 0.000 0.926 5 S HN 0.574 nan 8.310 nan 0.000 0.539 6 R N 1.333 121.809 120.500 -0.041 0.000 2.096 6 R HA -0.179 4.161 4.340 -0.000 0.000 0.240 6 R C 2.654 178.922 176.300 -0.053 0.000 1.139 6 R CA 2.032 58.107 56.100 -0.041 0.000 0.952 6 R CB -0.567 29.703 30.300 -0.050 0.000 0.854 6 R HN 0.895 nan 8.270 nan 0.000 0.436 7 R N 0.397 120.829 120.500 -0.113 0.000 2.105 7 R HA -0.103 4.237 4.340 -0.000 0.000 0.239 7 R C 2.007 178.290 176.300 -0.029 0.000 1.135 7 R CA 1.764 57.754 56.100 -0.184 0.000 0.967 7 R CB -0.778 29.214 30.300 -0.514 0.000 0.861 7 R HN 0.115 nan 8.270 nan 0.000 0.442 8 V N 0.995 120.933 119.914 0.041 0.000 2.788 8 V HA -0.081 4.039 4.120 -0.000 0.000 0.251 8 V C 2.004 178.156 176.094 0.095 0.000 1.068 8 V CA 1.380 63.781 62.300 0.169 0.000 1.090 8 V CB -0.049 31.871 31.823 0.163 0.000 0.710 8 V HN 0.431 nan 8.190 nan 0.000 0.467 9 Q N -0.041 119.787 119.800 0.045 0.000 2.297 9 Q HA 0.072 4.412 4.340 -0.000 0.000 0.204 9 Q C 1.688 177.704 176.000 0.027 0.000 0.962 9 Q CA 1.129 56.949 55.803 0.029 0.000 0.879 9 Q CB -0.131 28.615 28.738 0.012 0.000 0.947 9 Q HN 0.627 nan 8.270 nan 0.000 0.462 10 A N 0.571 123.409 122.820 0.030 0.000 2.648 10 A HA 0.194 4.514 4.320 -0.000 0.000 0.269 10 A C 0.229 177.839 177.584 0.042 0.000 1.392 10 A CA 0.017 52.069 52.037 0.025 0.000 1.019 10 A CB -0.368 18.638 19.000 0.009 0.000 1.009 10 A HN 0.181 nan 8.150 nan 0.000 0.565 11 M N 1.360 120.989 119.600 0.047 0.000 2.047 11 M HA 0.196 4.676 4.480 -0.000 0.000 0.342 11 M C 0.246 176.554 176.300 0.012 0.000 1.058 11 M CA -0.206 55.117 55.300 0.039 0.000 0.991 11 M CB 1.187 33.817 32.600 0.051 0.000 1.474 11 M HN 0.307 nan 8.290 nan 0.000 0.419 12 K N 5.197 125.598 120.400 0.002 0.000 2.469 12 K HA 0.208 4.528 4.320 -0.000 0.000 0.274 12 K C -2.129 174.461 176.600 -0.016 0.000 0.983 12 K CA -0.815 55.470 56.287 -0.004 0.000 0.974 12 K CB 0.480 32.979 32.500 -0.001 0.000 0.913 12 K HN 0.361 nan 8.250 nan 0.000 0.493 13 P HA 0.041 nan 4.420 nan 0.000 0.285 13 P C -0.862 176.423 177.300 -0.026 0.000 1.259 13 P CA -0.471 62.618 63.100 -0.018 0.000 0.794 13 P CB 1.540 33.236 31.700 -0.007 0.000 0.940 14 S N 1.636 117.311 115.700 -0.042 0.000 2.580 14 S HA 0.369 4.839 4.470 -0.000 0.000 0.274 14 S C 1.334 175.916 174.600 -0.030 0.000 1.329 14 S CA 0.011 58.177 58.200 -0.057 0.000 1.036 14 S CB 0.437 63.587 63.200 -0.083 0.000 0.919 14 S HN 0.515 nan 8.310 nan 0.000 0.515 15 A N 3.763 126.567 122.820 -0.026 0.000 2.081 15 A HA 0.121 4.441 4.320 -0.000 0.000 0.214 15 A C 2.083 179.671 177.584 0.007 0.000 1.158 15 A CA 1.220 53.259 52.037 0.004 0.000 0.724 15 A CB -1.050 17.966 19.000 0.025 0.000 0.826 15 A HN 0.834 nan 8.150 nan 0.000 0.463 16 T N -0.350 114.197 114.554 -0.010 0.000 2.777 16 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 16 T C 1.867 176.572 174.700 0.008 0.000 1.040 16 T CA 1.540 63.645 62.100 0.009 0.000 1.141 16 T CB -0.302 68.562 68.868 -0.008 0.000 0.868 16 T HN 0.120 nan 8.240 nan 0.000 0.444 17 V N 1.619 121.527 119.914 -0.009 0.000 2.332 17 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 17 V C 2.834 178.931 176.094 0.005 0.000 1.055 17 V CA 1.807 64.104 62.300 -0.005 0.000 1.038 17 V CB -1.089 30.724 31.823 -0.017 0.000 0.651 17 V HN 0.535 nan 8.190 nan 0.000 0.450 18 A N -0.442 122.382 122.820 0.006 0.000 1.902 18 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 18 A C 2.331 179.926 177.584 0.018 0.000 1.181 18 A CA 2.156 54.200 52.037 0.012 0.000 0.623 18 A CB -0.617 18.391 19.000 0.013 0.000 0.818 18 A HN 0.371 nan 8.150 nan 0.000 0.443 19 V N 0.924 120.853 119.914 0.024 0.000 2.453 19 V HA -0.201 3.918 4.120 -0.000 0.000 0.247 19 V C 2.446 178.559 176.094 0.031 0.000 1.048 19 V CA 1.983 64.302 62.300 0.031 0.000 1.049 19 V CB -1.090 30.757 31.823 0.041 0.000 0.672 19 V HN 0.701 nan 8.190 nan 0.000 0.457 20 N N 1.273 119.991 118.700 0.029 0.000 2.104 20 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 20 N C 1.763 177.286 175.510 0.023 0.000 1.024 20 N CA 1.973 55.040 53.050 0.029 0.000 0.853 20 N CB -0.298 38.205 38.487 0.025 0.000 1.008 20 N HN 0.429 nan 8.380 nan 0.000 0.424 21 A N 0.634 123.465 122.820 0.018 0.000 1.933 21 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 21 A C 2.195 179.789 177.584 0.016 0.000 1.175 21 A CA 1.636 53.681 52.037 0.015 0.000 0.628 21 A CB -0.621 18.385 19.000 0.011 0.000 0.814 21 A HN 0.471 nan 8.150 nan 0.000 0.444 22 K N -0.216 120.195 120.400 0.019 0.000 2.097 22 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 22 K C 2.060 178.673 176.600 0.022 0.000 1.050 22 K CA 1.121 57.420 56.287 0.020 0.000 0.938 22 K CB -0.312 32.201 32.500 0.021 0.000 0.718 22 K HN 0.343 nan 8.250 nan 0.000 0.442 23 A N 1.297 124.132 122.820 0.026 0.000 1.933 23 A HA -0.094 4.225 4.320 -0.000 0.000 0.218 23 A C 2.052 179.650 177.584 0.023 0.000 1.175 23 A CA 1.152 53.206 52.037 0.028 0.000 0.628 23 A CB -0.478 18.543 19.000 0.034 0.000 0.814 23 A HN 0.315 nan 8.150 nan 0.000 0.444 24 L N -0.884 120.351 121.223 0.020 0.000 2.093 24 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 24 L C 2.519 179.397 176.870 0.014 0.000 1.085 24 L CA 1.417 56.267 54.840 0.016 0.000 0.755 24 L CB -0.640 41.428 42.059 0.014 0.000 0.904 24 L HN 0.437 nan 8.230 nan 0.000 0.435 25 E N 0.458 120.667 120.200 0.014 0.000 2.049 25 E HA -0.246 4.104 4.350 -0.000 0.000 0.198 25 E C 2.320 178.928 176.600 0.013 0.000 1.007 25 E CA 1.355 57.763 56.400 0.013 0.000 0.809 25 E CB -0.225 29.482 29.700 0.013 0.000 0.749 25 E HN 0.415 nan 8.360 nan 0.000 0.450 26 L N 0.443 121.675 121.223 0.016 0.000 1.994 26 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 26 L C 2.659 179.538 176.870 0.015 0.000 1.071 26 L CA 1.294 56.144 54.840 0.016 0.000 0.745 26 L CB -0.423 41.648 42.059 0.021 0.000 0.892 26 L HN 0.070 nan 8.230 nan 0.000 0.431 27 R N -0.231 120.278 120.500 0.015 0.000 2.096 27 R HA -0.227 4.113 4.340 -0.000 0.000 0.240 27 R C 2.428 178.735 176.300 0.011 0.000 1.139 27 R CA 1.726 57.834 56.100 0.013 0.000 0.952 27 R CB -0.403 29.905 30.300 0.014 0.000 0.854 27 R HN 0.257 nan 8.270 nan 0.000 0.436 28 R N 1.522 122.028 120.500 0.010 0.000 2.120 28 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 28 R C 1.546 177.851 176.300 0.008 0.000 1.123 28 R CA 1.690 57.795 56.100 0.008 0.000 0.975 28 R CB 0.086 30.391 30.300 0.008 0.000 0.866 28 R HN 0.380 nan 8.270 nan 0.000 0.446 29 Q N -1.212 118.593 119.800 0.009 0.000 2.217 29 Q HA 0.197 4.537 4.340 -0.000 0.000 0.226 29 Q C 0.419 176.424 176.000 0.008 0.000 0.875 29 Q CA 0.333 56.141 55.803 0.008 0.000 0.974 29 Q CB 0.767 29.511 28.738 0.009 0.000 1.079 29 Q HN 0.345 nan 8.270 nan 0.000 0.463 30 G N 0.345 109.150 108.800 0.008 0.000 2.153 30 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.252 30 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.252 30 G C 0.088 174.993 174.900 0.009 0.000 0.994 30 G CA 0.185 45.289 45.100 0.008 0.000 0.698 30 G HN 0.330 nan 8.290 nan 0.000 0.521 31 V N 0.657 120.577 119.914 0.011 0.000 2.530 31 V HA 0.381 4.501 4.120 -0.000 0.000 0.282 31 V C 0.597 176.698 176.094 0.012 0.000 1.048 31 V CA 0.093 62.401 62.300 0.013 0.000 0.997 31 V CB 1.638 33.471 31.823 0.017 0.000 0.987 31 V HN 0.429 nan 8.190 nan 0.000 0.477 32 D N 4.810 125.217 120.400 0.011 0.000 2.339 32 D HA 0.398 5.038 4.640 -0.000 0.000 0.241 32 D C -0.576 175.731 176.300 0.012 0.000 1.183 32 D CA -0.037 53.968 54.000 0.009 0.000 0.859 32 D CB 0.469 41.271 40.800 0.004 0.000 1.067 32 D HN 0.408 nan 8.370 nan 0.000 0.484 33 L N 3.751 124.982 121.223 0.014 0.000 2.329 33 L HA 0.488 4.828 4.340 -0.000 0.000 0.279 33 L C -0.513 176.364 176.870 0.012 0.000 1.014 33 L CA -1.306 53.546 54.840 0.020 0.000 0.814 33 L CB 2.036 44.111 42.059 0.028 0.000 1.257 33 L HN 0.196 nan 8.230 nan 0.000 0.424 34 V N 2.611 122.531 119.914 0.010 0.000 2.370 34 V HA 0.505 4.625 4.120 -0.000 0.000 0.279 34 V C 0.348 176.452 176.094 0.015 0.000 1.029 34 V CA -0.516 61.781 62.300 -0.006 0.000 0.870 34 V CB 1.395 33.195 31.823 -0.038 0.000 0.984 34 V HN 0.830 nan 8.190 nan 0.000 0.451 35 A N 6.212 129.041 122.820 0.016 0.000 2.274 35 A HA 0.757 5.077 4.320 -0.000 0.000 0.309 35 A C -0.070 177.538 177.584 0.040 0.000 1.226 35 A CA -0.380 51.679 52.037 0.036 0.000 0.853 35 A CB 0.372 19.392 19.000 0.034 0.000 1.146 35 A HN 0.868 nan 8.150 nan 0.000 0.518 36 L N 3.342 124.609 121.223 0.072 0.000 3.141 36 L HA 0.173 4.513 4.340 -0.000 0.000 0.263 36 L C 1.195 178.137 176.870 0.121 0.000 1.312 36 L CA 0.237 55.132 54.840 0.092 0.000 1.012 36 L CB 0.059 42.194 42.059 0.127 0.000 1.408 36 L HN 0.941 nan 8.230 nan 0.000 0.559 37 T N -4.081 110.537 114.554 0.108 0.000 2.990 37 T HA 0.264 4.614 4.350 -0.000 0.000 0.250 37 T C 1.045 175.844 174.700 0.165 0.000 1.041 37 T CA 0.181 62.361 62.100 0.134 0.000 1.010 37 T CB 0.431 69.364 68.868 0.109 0.000 1.003 37 T HN 0.214 nan 8.240 nan 0.000 0.499 38 A N 1.079 123.973 122.820 0.123 0.000 2.587 38 A HA 0.500 4.820 4.320 -0.000 0.000 0.235 38 A C 1.353 179.106 177.584 0.282 0.000 1.044 38 A CA 0.293 52.405 52.037 0.125 0.000 0.754 38 A CB -0.326 18.674 19.000 0.001 0.000 0.968 38 A HN 0.623 nan 8.150 nan 0.000 0.509 39 G N 1.459 110.458 108.800 0.331 0.000 3.690 39 G HA2 0.458 4.418 3.960 -0.000 0.000 0.283 39 G HA3 0.458 4.418 3.960 -0.000 0.000 0.283 39 G C 0.068 175.287 174.900 0.532 0.000 1.057 39 G CA 0.382 45.813 45.100 0.553 0.000 0.821 39 G HN 0.942 nan 8.290 nan 0.000 0.526 40 E N -0.081 120.306 120.200 0.311 0.000 2.390 40 E HA 0.460 4.810 4.350 -0.000 0.000 0.277 40 E C -3.217 173.350 176.600 -0.055 0.000 0.939 40 E CA -2.305 54.243 56.400 0.246 0.000 0.769 40 E CB 1.568 31.383 29.700 0.191 0.000 1.251 40 E HN -0.162 nan 8.360 nan 0.000 0.450 41 P HA -0.027 nan 4.420 nan 0.000 0.267 41 P C 0.052 177.371 177.300 0.031 0.000 1.200 41 P CA 0.114 63.255 63.100 0.068 0.000 0.772 41 P CB 0.512 32.463 31.700 0.418 0.000 0.855 42 D N 1.875 122.222 120.400 -0.088 0.000 2.289 42 D HA -0.067 4.573 4.640 -0.000 0.000 0.207 42 D C 0.380 176.614 176.300 -0.110 0.000 0.966 42 D CA 0.519 54.421 54.000 -0.164 0.000 0.868 42 D CB -0.331 40.291 40.800 -0.297 0.000 0.943 42 D HN 0.243 nan 8.370 nan 0.000 0.514 43 F N 1.722 121.746 119.950 0.124 0.000 2.496 43 F HA 0.186 4.713 4.527 -0.000 0.000 0.344 43 F C 1.280 177.206 175.800 0.210 0.000 1.155 43 F CA -0.493 57.616 58.000 0.182 0.000 1.302 43 F CB 0.321 39.486 39.000 0.275 0.000 1.159 43 F HN -0.248 nan 8.300 nan 0.000 0.595 44 D N 0.057 120.689 120.400 0.385 0.000 2.354 44 D HA 0.064 4.704 4.640 -0.000 0.000 0.247 44 D C -0.095 176.324 176.300 0.199 0.000 1.138 44 D CA -0.220 53.932 54.000 0.253 0.000 0.958 44 D CB 1.168 42.081 40.800 0.188 0.000 1.144 44 D HN 0.545 nan 8.370 nan 0.000 0.458 45 T N 1.023 115.651 114.554 0.125 0.000 2.928 45 T HA 0.226 4.576 4.350 -0.000 0.000 0.305 45 T C -2.219 172.366 174.700 -0.192 0.000 1.035 45 T CA -1.189 60.859 62.100 -0.086 0.000 1.145 45 T CB 0.738 69.596 68.868 -0.017 0.000 0.963 45 T HN 0.204 nan 8.240 nan 0.000 0.545 46 P HA 0.099 nan 4.420 nan 0.000 0.267 46 P C 0.776 177.982 177.300 -0.157 0.000 1.200 46 P CA -0.164 62.761 63.100 -0.290 0.000 0.772 46 P CB 0.661 32.134 31.700 -0.378 0.000 0.855 47 E N 1.620 121.825 120.200 0.009 0.000 2.160 47 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 47 E C 1.847 178.463 176.600 0.027 0.000 0.991 47 E CA 1.688 58.107 56.400 0.031 0.000 0.810 47 E CB -0.837 28.902 29.700 0.066 0.000 0.742 47 E HN 0.742 nan 8.360 nan 0.000 0.466 48 H N -1.242 117.783 119.070 -0.076 0.000 2.421 48 H HA 0.002 4.558 4.556 -0.000 0.000 0.298 48 H C 2.012 177.274 175.328 -0.111 0.000 1.087 48 H CA 1.205 57.203 56.048 -0.083 0.000 1.330 48 H CB -0.299 29.405 29.762 -0.097 0.000 1.388 48 H HN -0.079 nan 8.280 nan 0.000 0.526 49 V N 1.197 120.722 119.914 -0.648 0.000 2.407 49 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 49 V C 2.316 178.263 176.094 -0.244 0.000 1.041 49 V CA 1.819 63.773 62.300 -0.578 0.000 1.040 49 V CB -0.360 30.958 31.823 -0.843 0.000 0.671 49 V HN 0.391 nan 8.190 nan 0.000 0.455 50 K N -0.102 120.236 120.400 -0.103 0.000 2.057 50 K HA -0.237 4.083 4.320 -0.000 0.000 0.207 50 K C 2.212 178.864 176.600 0.086 0.000 1.049 50 K CA 1.648 58.003 56.287 0.113 0.000 0.931 50 K CB -0.173 32.395 32.500 0.113 0.000 0.714 50 K HN 0.281 nan 8.250 nan 0.000 0.440 51 E N 0.932 121.152 120.200 0.032 0.000 2.110 51 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 51 E C 1.687 178.307 176.600 0.034 0.000 0.988 51 E CA 1.327 57.748 56.400 0.034 0.000 0.804 51 E CB -0.142 29.577 29.700 0.031 0.000 0.745 51 E HN 0.307 nan 8.360 nan 0.000 0.458 52 A N 0.259 123.092 122.820 0.022 0.000 1.969 52 A HA 0.036 4.356 4.320 -0.000 0.000 0.218 52 A C 2.329 179.965 177.584 0.087 0.000 1.169 52 A CA 1.655 53.716 52.037 0.040 0.000 0.635 52 A CB -0.622 18.388 19.000 0.016 0.000 0.810 52 A HN 0.320 nan 8.150 nan 0.000 0.445 53 A N 0.037 122.936 122.820 0.132 0.000 1.898 53 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 53 A C 2.222 179.867 177.584 0.102 0.000 1.181 53 A CA 1.321 53.477 52.037 0.199 0.000 0.620 53 A CB -0.419 18.798 19.000 0.362 0.000 0.819 53 A HN 0.528 nan 8.150 nan 0.000 0.442 54 R N -0.590 119.954 120.500 0.073 0.000 2.081 54 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 54 R C 2.450 178.752 176.300 0.003 0.000 1.131 54 R CA 1.542 57.661 56.100 0.031 0.000 0.960 54 R CB -0.304 30.013 30.300 0.028 0.000 0.856 54 R HN 0.470 nan 8.270 nan 0.000 0.436 55 R N 0.218 120.716 120.500 -0.003 0.000 2.081 55 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 55 R C 2.350 178.599 176.300 -0.085 0.000 1.131 55 R CA 1.321 57.396 56.100 -0.041 0.000 0.960 55 R CB -0.351 29.924 30.300 -0.042 0.000 0.856 55 R HN 0.212 nan 8.270 nan 0.000 0.436 56 A N 1.297 124.073 122.820 -0.072 0.000 1.902 56 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 56 A C 2.191 179.719 177.584 -0.094 0.000 1.181 56 A CA 1.112 53.066 52.037 -0.137 0.000 0.623 56 A CB -0.498 18.494 19.000 -0.013 0.000 0.818 56 A HN 0.170 nan 8.150 nan 0.000 0.443 57 L N -0.866 120.335 121.223 -0.037 0.000 2.017 57 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 57 L C 3.066 179.906 176.870 -0.050 0.000 1.073 57 L CA 1.178 55.999 54.840 -0.032 0.000 0.745 57 L CB -0.492 41.558 42.059 -0.016 0.000 0.894 57 L HN 0.436 nan 8.230 nan 0.000 0.432 58 A N -0.842 121.947 122.820 -0.052 0.000 2.067 58 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 58 A C 2.003 179.543 177.584 -0.074 0.000 1.158 58 A CA 1.187 53.191 52.037 -0.054 0.000 0.661 58 A CB -0.302 18.670 19.000 -0.046 0.000 0.801 58 A HN 0.524 nan 8.150 nan 0.000 0.452 59 Q N -1.245 118.492 119.800 -0.106 0.000 2.320 59 Q HA 0.291 4.630 4.340 -0.000 0.000 0.201 59 Q C 0.863 176.787 176.000 -0.127 0.000 0.910 59 Q CA 0.194 55.916 55.803 -0.134 0.000 0.946 59 Q CB 0.189 28.804 28.738 -0.204 0.000 1.062 59 Q HN 0.758 nan 8.270 nan 0.000 0.503 60 G N 2.214 110.956 108.800 -0.096 0.000 2.305 60 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.287 60 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.287 60 G C -0.187 174.666 174.900 -0.078 0.000 1.036 60 G CA 0.228 45.284 45.100 -0.074 0.000 0.887 60 G HN 0.265 nan 8.290 nan 0.000 0.505 61 K N 0.855 121.192 120.400 -0.106 0.000 2.502 61 K HA 0.319 4.639 4.320 -0.000 0.000 0.244 61 K C 1.341 177.953 176.600 0.020 0.000 1.249 61 K CA 0.536 56.776 56.287 -0.078 0.000 1.193 61 K CB 0.050 32.393 32.500 -0.262 0.000 1.674 61 K HN 0.407 nan 8.250 nan 0.000 0.302 62 T N -2.222 112.333 114.554 0.003 0.000 3.200 62 T HA 0.199 4.549 4.350 -0.000 0.000 0.284 62 T C 0.333 175.013 174.700 -0.034 0.000 1.009 62 T CA -0.676 61.421 62.100 -0.005 0.000 0.907 62 T CB 0.295 69.145 68.868 -0.031 0.000 1.120 62 T HN -0.053 nan 8.240 nan 0.000 0.534 63 K N 0.992 121.391 120.400 -0.003 0.000 2.168 63 K HA 0.437 4.757 4.320 -0.000 0.000 0.239 63 K C -0.576 176.046 176.600 0.036 0.000 0.999 63 K CA -1.000 55.266 56.287 -0.036 0.000 0.900 63 K CB 0.577 33.089 32.500 0.020 0.000 1.111 63 K HN 0.135 nan 8.250 nan 0.000 0.452 64 Y N 0.553 120.885 120.300 0.054 0.000 2.712 64 Y HA 0.067 4.617 4.550 -0.000 0.000 0.333 64 Y C 0.926 176.863 175.900 0.062 0.000 1.225 64 Y CA 0.187 58.319 58.100 0.052 0.000 1.499 64 Y CB 0.009 38.492 38.460 0.039 0.000 1.288 64 Y HN 0.541 nan 8.280 nan 0.000 0.575 65 A N 5.748 128.716 122.820 0.246 0.000 2.281 65 A HA 0.726 5.046 4.320 -0.000 0.000 0.329 65 A C -2.510 175.132 177.584 0.097 0.000 1.122 65 A CA -2.054 50.071 52.037 0.147 0.000 0.850 65 A CB 0.354 19.419 19.000 0.108 0.000 1.207 65 A HN 0.523 nan 8.150 nan 0.000 0.495 66 P HA 0.180 nan 4.420 nan 0.000 0.269 66 P C -2.023 175.288 177.300 0.020 0.000 1.215 66 P CA -0.933 62.184 63.100 0.029 0.000 0.780 66 P CB 0.060 31.772 31.700 0.020 0.000 0.898 67 P HA -0.189 nan 4.420 nan 0.000 0.216 67 P C 0.893 178.203 177.300 0.016 0.000 1.150 67 P CA 1.857 64.962 63.100 0.007 0.000 0.843 67 P CB -0.288 31.410 31.700 -0.003 0.000 0.787 68 A N -1.514 121.313 122.820 0.012 0.000 2.251 68 A HA 0.512 4.832 4.320 -0.000 0.000 0.209 68 A C 1.016 178.607 177.584 0.011 0.000 1.187 68 A CA 0.688 52.733 52.037 0.014 0.000 0.823 68 A CB -0.849 18.155 19.000 0.007 0.000 0.846 68 A HN 0.333 nan 8.150 nan 0.000 0.486 69 G N -1.168 107.635 108.800 0.004 0.000 2.570 69 G HA2 0.067 4.027 3.960 -0.000 0.000 0.686 69 G HA3 0.067 4.027 3.960 -0.000 0.000 0.686 69 G C -0.567 174.303 174.900 -0.049 0.000 1.257 69 G CA -0.529 44.559 45.100 -0.019 0.000 0.846 69 G HN 0.486 nan 8.290 nan 0.000 0.627 70 I N 3.081 123.587 120.570 -0.107 0.000 2.752 70 I HA 0.180 4.350 4.170 -0.000 0.000 0.289 70 I C 0.262 176.289 176.117 -0.151 0.000 1.197 70 I CA -1.013 60.193 61.300 -0.157 0.000 1.432 70 I CB 1.115 38.893 38.000 -0.369 0.000 1.359 70 I HN 0.436 nan 8.210 nan 0.000 0.571 71 P HA -0.230 nan 4.420 nan 0.000 0.216 71 P C 1.091 178.331 177.300 -0.100 0.000 1.153 71 P CA 1.553 64.613 63.100 -0.067 0.000 0.858 71 P CB 0.257 31.944 31.700 -0.021 0.000 0.789 72 E N 0.039 120.152 120.200 -0.145 0.000 2.058 72 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 72 E C 2.252 178.730 176.600 -0.204 0.000 0.997 72 E CA 0.853 57.157 56.400 -0.161 0.000 0.801 72 E CB -1.111 28.449 29.700 -0.234 0.000 0.746 72 E HN 0.202 nan 8.360 nan 0.000 0.450 73 L N 0.287 121.339 121.223 -0.285 0.000 2.093 73 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 73 L C 2.218 178.974 176.870 -0.190 0.000 1.085 73 L CA 1.164 55.846 54.840 -0.263 0.000 0.755 73 L CB -0.045 41.840 42.059 -0.290 0.000 0.904 73 L HN 0.117 nan 8.230 nan 0.000 0.435 74 R N -0.345 120.074 120.500 -0.136 0.000 2.120 74 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 74 R C 1.997 178.256 176.300 -0.067 0.000 1.123 74 R CA 1.335 57.387 56.100 -0.079 0.000 0.975 74 R CB -0.164 30.109 30.300 -0.045 0.000 0.866 74 R HN 0.506 nan 8.270 nan 0.000 0.446 75 E N 0.546 120.700 120.200 -0.077 0.000 2.072 75 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 75 E C 2.060 178.613 176.600 -0.080 0.000 0.982 75 E CA 0.994 57.359 56.400 -0.059 0.000 0.803 75 E CB -0.057 29.612 29.700 -0.050 0.000 0.755 75 E HN 0.330 nan 8.360 nan 0.000 0.453 76 A N 1.188 123.934 122.820 -0.122 0.000 1.972 76 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 76 A C 2.084 179.543 177.584 -0.208 0.000 1.169 76 A CA 0.913 52.857 52.037 -0.154 0.000 0.635 76 A CB -0.300 18.590 19.000 -0.185 0.000 0.810 76 A HN 0.097 nan 8.150 nan 0.000 0.446 77 L N -0.457 120.627 121.223 -0.232 0.000 2.056 77 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 77 L C 2.960 179.776 176.870 -0.089 0.000 1.078 77 L CA 1.854 56.511 54.840 -0.305 0.000 0.749 77 L CB -1.408 40.535 42.059 -0.193 0.000 0.901 77 L HN 0.409 nan 8.230 nan 0.000 0.433 78 A N -0.884 121.948 122.820 0.020 0.000 1.940 78 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 78 A C 2.122 179.736 177.584 0.051 0.000 1.176 78 A CA 1.458 53.549 52.037 0.090 0.000 0.631 78 A CB -0.313 18.712 19.000 0.042 0.000 0.814 78 A HN 0.418 nan 8.150 nan 0.000 0.446 79 E N 0.097 120.284 120.200 -0.021 0.000 2.072 79 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 79 E C 1.974 178.549 176.600 -0.042 0.000 0.985 79 E CA 1.221 57.604 56.400 -0.028 0.000 0.801 79 E CB -0.419 29.251 29.700 -0.050 0.000 0.750 79 E HN 0.647 nan 8.360 nan 0.000 0.452 80 K N 0.614 120.936 120.400 -0.129 0.000 2.026 80 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 80 K C 2.032 178.565 176.600 -0.113 0.000 1.048 80 K CA 0.978 57.156 56.287 -0.183 0.000 0.929 80 K CB -0.343 31.931 32.500 -0.378 0.000 0.713 80 K HN 0.033 nan 8.250 nan 0.000 0.439 81 F N 1.338 121.271 119.950 -0.028 0.000 2.216 81 F HA -0.031 4.496 4.527 -0.000 0.000 0.300 81 F C 2.793 178.583 175.800 -0.017 0.000 1.085 81 F CA 1.228 59.218 58.000 -0.015 0.000 1.326 81 F CB -0.405 38.582 39.000 -0.021 0.000 1.027 81 F HN 0.121 nan 8.300 nan 0.000 0.497 82 R N 0.211 120.803 120.500 0.153 0.000 2.066 82 R HA -0.062 4.278 4.340 -0.000 0.000 0.224 82 R C 2.524 178.857 176.300 0.055 0.000 1.122 82 R CA 0.910 57.059 56.100 0.083 0.000 0.974 82 R CB -0.187 30.146 30.300 0.054 0.000 0.871 82 R HN 0.119 nan 8.270 nan 0.000 0.435 83 R N 0.539 121.064 120.500 0.040 0.000 2.073 83 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 83 R C 1.573 177.900 176.300 0.044 0.000 1.134 83 R CA 1.951 58.070 56.100 0.030 0.000 0.952 83 R CB 0.014 30.322 30.300 0.013 0.000 0.850 83 R HN 0.347 nan 8.270 nan 0.000 0.433 84 E N -0.760 119.472 120.200 0.054 0.000 2.140 84 E HA -0.035 4.315 4.350 -0.000 0.000 0.191 84 E C 1.039 177.689 176.600 0.083 0.000 0.973 84 E CA 0.939 57.384 56.400 0.075 0.000 0.829 84 E CB 0.219 29.972 29.700 0.089 0.000 0.781 84 E HN 0.516 nan 8.360 nan 0.000 0.466 85 N N -0.682 118.076 118.700 0.097 0.000 2.205 85 N HA 0.109 4.848 4.740 -0.000 0.000 0.201 85 N C 0.652 176.165 175.510 0.005 0.000 1.128 85 N CA 0.371 53.469 53.050 0.081 0.000 0.867 85 N CB 1.527 40.112 38.487 0.164 0.000 0.996 85 N HN 0.131 nan 8.380 nan 0.000 0.503 86 G N 0.860 109.672 108.800 0.020 0.000 2.179 86 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.257 86 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.257 86 G C -0.449 174.436 174.900 -0.025 0.000 1.010 86 G CA -0.108 44.986 45.100 -0.011 0.000 0.736 86 G HN 0.104 nan 8.290 nan 0.000 0.513 87 L N 1.373 122.599 121.223 0.005 0.000 2.276 87 L HA 0.547 4.887 4.340 -0.000 0.000 0.286 87 L C 0.853 177.725 176.870 0.003 0.000 1.061 87 L CA -0.242 54.589 54.840 -0.016 0.000 0.807 87 L CB 1.652 43.699 42.059 -0.020 0.000 1.177 87 L HN 0.091 nan 8.230 nan 0.000 0.429 88 S N 3.304 118.995 115.700 -0.015 0.000 3.483 88 S HA 0.437 4.907 4.470 -0.000 0.000 0.274 88 S C -0.133 174.459 174.600 -0.013 0.000 1.289 88 S CA -0.549 57.648 58.200 -0.005 0.000 0.938 88 S CB -0.204 62.992 63.200 -0.006 0.000 1.453 88 S HN 0.417 nan 8.310 nan 0.000 0.494 89 V N 0.555 120.468 119.914 -0.001 0.000 2.823 89 V HA 0.857 4.976 4.120 -0.000 0.000 0.312 89 V C 0.169 176.269 176.094 0.011 0.000 1.072 89 V CA -1.053 61.241 62.300 -0.010 0.000 0.937 89 V CB 1.520 33.317 31.823 -0.042 0.000 1.013 89 V HN 0.554 nan 8.190 nan 0.000 0.430 90 T N 0.121 114.676 114.554 0.002 0.000 2.912 90 T HA 0.577 4.927 4.350 -0.000 0.000 0.280 90 T C -1.925 172.782 174.700 0.011 0.000 0.989 90 T CA -1.837 60.266 62.100 0.006 0.000 0.995 90 T CB 1.467 70.334 68.868 -0.001 0.000 1.077 90 T HN 0.514 nan 8.240 nan 0.000 0.531 91 P HA -0.016 nan 4.420 nan 0.000 0.219 91 P C 0.951 178.253 177.300 0.003 0.000 1.146 91 P CA 0.872 63.976 63.100 0.006 0.000 0.808 91 P CB 0.020 31.717 31.700 -0.005 0.000 0.779 92 E N -0.492 119.707 120.200 -0.001 0.000 2.427 92 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 92 E C 0.855 177.450 176.600 -0.009 0.000 1.028 92 E CA 0.676 57.073 56.400 -0.005 0.000 0.864 92 E CB -0.523 29.173 29.700 -0.006 0.000 0.813 92 E HN 0.427 nan 8.360 nan 0.000 0.514 93 E N -0.038 120.155 120.200 -0.011 0.000 2.423 93 E HA 0.135 4.485 4.350 -0.000 0.000 0.198 93 E C -0.441 176.140 176.600 -0.031 0.000 1.038 93 E CA 0.005 56.387 56.400 -0.030 0.000 1.011 93 E CB 0.733 30.408 29.700 -0.042 0.000 1.118 93 E HN -0.100 nan 8.360 nan 0.000 0.451 94 T N 0.761 115.319 114.554 0.006 0.000 2.900 94 T HA 0.616 4.966 4.350 -0.000 0.000 0.295 94 T C -1.236 173.494 174.700 0.051 0.000 1.044 94 T CA -0.494 61.638 62.100 0.054 0.000 0.995 94 T CB 1.527 70.451 68.868 0.092 0.000 1.072 94 T HN 0.095 nan 8.240 nan 0.000 0.473 95 I N 2.464 123.089 120.570 0.091 0.000 2.752 95 I HA 0.631 4.801 4.170 -0.000 0.000 0.295 95 I C -1.482 174.712 176.117 0.128 0.000 1.219 95 I CA -0.832 60.514 61.300 0.076 0.000 1.030 95 I CB 1.766 39.793 38.000 0.045 0.000 1.259 95 I HN 0.352 nan 8.210 nan 0.000 0.423 96 V N 5.359 125.331 119.914 0.097 0.000 2.472 96 V HA 0.650 4.770 4.120 -0.000 0.000 0.290 96 V C 0.229 176.381 176.094 0.097 0.000 1.037 96 V CA -0.186 62.190 62.300 0.127 0.000 0.908 96 V CB 1.563 33.431 31.823 0.076 0.000 0.985 96 V HN 0.866 nan 8.190 nan 0.000 0.454 97 T N 0.459 115.074 114.554 0.102 0.000 2.864 97 T HA 0.570 4.920 4.350 -0.000 0.000 0.289 97 T C -0.523 174.217 174.700 0.065 0.000 1.082 97 T CA -0.757 61.388 62.100 0.075 0.000 1.009 97 T CB 1.684 70.593 68.868 0.070 0.000 1.234 97 T HN 0.178 nan 8.240 nan 0.000 0.526 98 V N 2.151 122.098 119.914 0.055 0.000 2.229 98 V HA 0.553 4.673 4.120 -0.000 0.000 0.245 98 V C 1.264 177.385 176.094 0.045 0.000 1.243 98 V CA 0.816 63.145 62.300 0.049 0.000 1.176 98 V CB -1.085 30.757 31.823 0.031 0.000 1.323 98 V HN 1.493 nan 8.190 nan 0.000 0.499 99 G N 3.684 112.509 108.800 0.042 0.000 2.733 99 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.686 99 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.686 99 G C 0.747 175.656 174.900 0.014 0.000 1.373 99 G CA -0.336 44.781 45.100 0.028 0.000 0.838 99 G HN 0.951 nan 8.290 nan 0.000 0.588 100 G N -0.080 108.706 108.800 -0.024 0.000 2.448 100 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.219 100 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.219 100 G C 1.551 176.512 174.900 0.102 0.000 1.127 100 G CA 1.672 46.762 45.100 -0.017 0.000 0.766 100 G HN 0.965 nan 8.290 nan 0.000 0.552 101 K N 0.046 120.551 120.400 0.175 0.000 2.097 101 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 101 K C 2.405 179.126 176.600 0.203 0.000 1.049 101 K CA 1.434 57.888 56.287 0.279 0.000 0.933 101 K CB -0.184 32.478 32.500 0.270 0.000 0.717 101 K HN 0.415 nan 8.250 nan 0.000 0.442 102 Q N -0.220 119.654 119.800 0.122 0.000 2.167 102 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 102 Q C 1.809 177.903 176.000 0.156 0.000 0.970 102 Q CA 1.126 57.002 55.803 0.122 0.000 0.855 102 Q CB -0.053 28.719 28.738 0.056 0.000 0.911 102 Q HN 0.433 nan 8.270 nan 0.000 0.438 103 A N 0.672 123.554 122.820 0.102 0.000 1.902 103 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 103 A C 1.990 179.581 177.584 0.012 0.000 1.181 103 A CA 1.048 53.117 52.037 0.053 0.000 0.623 103 A CB -0.565 18.455 19.000 0.032 0.000 0.818 103 A HN 0.414 nan 8.150 nan 0.000 0.443 104 L N -2.292 118.972 121.223 0.068 0.000 2.072 104 L HA -0.094 4.246 4.340 -0.000 0.000 0.205 104 L C 2.443 179.320 176.870 0.012 0.000 1.079 104 L CA 1.457 56.286 54.840 -0.018 0.000 0.752 104 L CB -0.501 41.714 42.059 0.260 0.000 0.906 104 L HN 0.514 nan 8.230 nan 0.000 0.436 105 F N 1.319 121.319 119.950 0.083 0.000 2.095 105 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 105 F C 2.318 178.165 175.800 0.078 0.000 1.104 105 F CA 1.791 59.873 58.000 0.137 0.000 1.232 105 F CB -0.228 38.821 39.000 0.081 0.000 0.987 105 F HN 0.098 nan 8.300 nan 0.000 0.475 106 N N 0.838 119.667 118.700 0.215 0.000 2.166 106 N HA -0.198 4.542 4.740 -0.000 0.000 0.186 106 N C 2.051 177.505 175.510 -0.094 0.000 1.019 106 N CA 1.406 54.500 53.050 0.074 0.000 0.856 106 N CB -0.720 37.831 38.487 0.108 0.000 0.993 106 N HN 0.450 nan 8.380 nan 0.000 0.426 107 L N -0.517 120.591 121.223 -0.192 0.000 1.994 107 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 107 L C 1.608 178.281 176.870 -0.329 0.000 1.071 107 L CA 1.457 56.093 54.840 -0.340 0.000 0.745 107 L CB -0.244 41.500 42.059 -0.525 0.000 0.892 107 L HN -0.022 nan 8.230 nan 0.000 0.431 108 F N 0.012 119.896 119.950 -0.110 0.000 2.171 108 F HA -0.204 4.323 4.527 -0.000 0.000 0.300 108 F C 2.776 178.483 175.800 -0.155 0.000 1.090 108 F CA 0.924 58.851 58.000 -0.121 0.000 1.293 108 F CB -0.850 38.083 39.000 -0.112 0.000 1.013 108 F HN 0.180 nan 8.300 nan 0.000 0.486 109 Q N -0.191 119.559 119.800 -0.084 0.000 2.226 109 Q HA -0.063 4.277 4.340 -0.000 0.000 0.204 109 Q C 2.407 178.377 176.000 -0.049 0.000 0.975 109 Q CA 1.341 57.074 55.803 -0.118 0.000 0.866 109 Q CB -0.652 27.956 28.738 -0.218 0.000 0.915 109 Q HN 0.434 nan 8.270 nan 0.000 0.440 110 A N 0.555 123.341 122.820 -0.057 0.000 2.072 110 A HA 0.025 4.345 4.320 -0.000 0.000 0.216 110 A C 1.823 179.390 177.584 -0.028 0.000 1.156 110 A CA 0.677 52.685 52.037 -0.048 0.000 0.701 110 A CB -0.136 18.817 19.000 -0.079 0.000 0.816 110 A HN 0.447 nan 8.150 nan 0.000 0.458 111 I N -4.528 116.039 120.570 -0.006 0.000 4.403 111 I HA 0.402 4.572 4.170 -0.000 0.000 0.331 111 I C -0.393 175.794 176.117 0.116 0.000 1.327 111 I CA -0.196 61.142 61.300 0.062 0.000 1.175 111 I CB 0.259 38.282 38.000 0.039 0.000 1.165 111 I HN -0.104 nan 8.210 nan 0.000 0.413 112 L N 3.188 124.469 121.223 0.098 0.000 2.282 112 L HA 0.533 4.873 4.340 -0.000 0.000 0.288 112 L C -0.899 175.991 176.870 0.032 0.000 1.033 112 L CA -0.353 54.533 54.840 0.076 0.000 0.807 112 L CB 1.175 43.276 42.059 0.070 0.000 1.209 112 L HN 0.094 nan 8.230 nan 0.000 0.423 113 D N 4.194 124.610 120.400 0.025 0.000 2.217 113 D HA 0.345 4.985 4.640 -0.000 0.000 0.248 113 D C -2.342 173.952 176.300 -0.008 0.000 1.008 113 D CA -1.307 52.696 54.000 0.006 0.000 0.914 113 D CB 1.869 42.676 40.800 0.011 0.000 1.182 113 D HN 0.219 nan 8.370 nan 0.000 0.451 114 P HA 0.025 nan 4.420 nan 0.000 0.262 114 P C 0.793 178.079 177.300 -0.024 0.000 1.182 114 P CA 0.532 63.613 63.100 -0.031 0.000 0.761 114 P CB 0.633 32.311 31.700 -0.036 0.000 0.795 115 G N 2.320 111.103 108.800 -0.029 0.000 2.234 115 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.235 115 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.235 115 G C -0.057 174.829 174.900 -0.023 0.000 0.997 115 G CA -0.219 44.866 45.100 -0.025 0.000 0.623 115 G HN 0.515 nan 8.290 nan 0.000 0.514 116 D N 1.906 122.295 120.400 -0.017 0.000 2.424 116 D HA 0.434 5.074 4.640 -0.000 0.000 0.244 116 D C 0.616 176.896 176.300 -0.034 0.000 1.134 116 D CA 0.452 54.446 54.000 -0.010 0.000 0.881 116 D CB 0.694 41.504 40.800 0.016 0.000 1.191 116 D HN 0.557 nan 8.370 nan 0.000 0.445 117 E N 0.539 120.713 120.200 -0.042 0.000 2.197 117 E HA 0.431 4.781 4.350 -0.000 0.000 0.281 117 E C -0.742 175.801 176.600 -0.095 0.000 0.995 117 E CA -0.773 55.583 56.400 -0.074 0.000 0.808 117 E CB 1.829 31.482 29.700 -0.079 0.000 1.093 117 E HN 0.069 nan 8.360 nan 0.000 0.394 118 V N 4.658 124.501 119.914 -0.118 0.000 2.487 118 V HA 0.323 4.443 4.120 -0.000 0.000 0.298 118 V C -0.155 175.857 176.094 -0.137 0.000 1.028 118 V CA -0.704 61.519 62.300 -0.128 0.000 0.860 118 V CB 1.391 33.114 31.823 -0.168 0.000 0.991 118 V HN 0.597 nan 8.190 nan 0.000 0.427 119 I N 5.069 125.551 120.570 -0.146 0.000 2.352 119 I HA 0.366 4.536 4.170 -0.000 0.000 0.290 119 I C -0.275 175.807 176.117 -0.058 0.000 1.036 119 I CA -0.222 61.012 61.300 -0.111 0.000 1.336 119 I CB 1.303 39.215 38.000 -0.147 0.000 1.407 119 I HN 0.270 nan 8.210 nan 0.000 0.497 120 V N 7.497 127.397 119.914 -0.023 0.000 2.628 120 V HA 0.436 4.556 4.120 -0.000 0.000 0.306 120 V C -0.039 176.147 176.094 0.153 0.000 1.045 120 V CA -0.725 61.596 62.300 0.036 0.000 0.905 120 V CB 2.143 33.927 31.823 -0.064 0.000 0.997 120 V HN 0.452 nan 8.190 nan 0.000 0.436 121 L N 4.144 125.507 121.223 0.232 0.000 2.280 121 L HA 0.532 4.872 4.340 -0.000 0.000 0.287 121 L C 0.426 177.492 176.870 0.328 0.000 1.023 121 L CA -0.244 54.739 54.840 0.238 0.000 0.819 121 L CB 1.558 43.735 42.059 0.197 0.000 1.212 121 L HN 0.759 nan 8.230 nan 0.000 0.420 122 S N 2.840 118.695 115.700 0.259 0.000 2.586 122 S HA 0.596 5.066 4.470 -0.000 0.000 0.274 122 S C -2.587 172.004 174.600 -0.014 0.000 1.281 122 S CA -1.543 56.691 58.200 0.057 0.000 1.035 122 S CB 1.169 64.340 63.200 -0.049 0.000 0.962 122 S HN 0.281 nan 8.310 nan 0.000 0.512 123 P HA 0.296 nan 4.420 nan 0.000 0.271 123 P C -1.076 176.146 177.300 -0.130 0.000 1.216 123 P CA -0.172 62.719 63.100 -0.349 0.000 0.776 123 P CB 0.043 31.462 31.700 -0.469 0.000 0.881 124 Y N -0.229 120.147 120.300 0.127 0.000 2.598 124 Y HA 0.615 5.165 4.550 -0.000 0.000 0.340 124 Y C -0.652 175.410 175.900 0.269 0.000 1.038 124 Y CA -2.261 55.981 58.100 0.236 0.000 1.100 124 Y CB 0.126 38.770 38.460 0.306 0.000 1.281 124 Y HN 0.342 nan 8.280 nan 0.000 0.488 125 W N 2.933 124.312 121.300 0.132 0.000 2.264 125 W HA 0.298 4.958 4.660 -0.000 0.000 0.331 125 W C 0.701 177.136 176.519 -0.140 0.000 1.364 125 W CA -0.718 56.551 57.345 -0.126 0.000 1.253 125 W CB 0.838 29.918 29.460 -0.633 0.000 1.215 125 W HN 0.571 nan 8.180 nan 0.000 0.561 126 V N 4.312 124.007 119.914 -0.365 0.000 2.370 126 V HA -0.369 3.751 4.120 -0.000 0.000 0.252 126 V C 2.158 177.941 176.094 -0.518 0.000 1.068 126 V CA 2.586 64.587 62.300 -0.498 0.000 1.061 126 V CB -1.170 30.237 31.823 -0.692 0.000 0.656 126 V HN 0.739 nan 8.190 nan 0.000 0.455 127 S N -1.537 113.614 115.700 -0.915 0.000 2.428 127 S HA -0.110 4.360 4.470 -0.000 0.000 0.230 127 S C 1.784 176.244 174.600 -0.233 0.000 1.014 127 S CA 1.014 58.800 58.200 -0.690 0.000 0.957 127 S CB -0.353 62.183 63.200 -1.107 0.000 0.784 127 S HN 0.617 nan 8.310 nan 0.000 0.499 128 Y N 1.995 122.245 120.300 -0.083 0.000 2.070 128 Y HA -0.074 4.476 4.550 -0.000 0.000 0.280 128 Y C -0.265 175.491 175.900 -0.241 0.000 1.148 128 Y CA 0.379 58.458 58.100 -0.037 0.000 1.125 128 Y CB -2.405 36.071 38.460 0.027 0.000 0.975 128 Y HN 0.277 nan 8.280 nan 0.000 0.492 129 P HA -0.132 nan 4.420 nan 0.000 0.220 129 P C 0.860 178.065 177.300 -0.159 0.000 1.148 129 P CA 1.696 64.645 63.100 -0.252 0.000 0.803 129 P CB 0.020 31.502 31.700 -0.363 0.000 0.782 130 E N -0.406 119.719 120.200 -0.126 0.000 2.072 130 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 130 E C 2.217 178.814 176.600 -0.006 0.000 0.982 130 E CA 1.107 57.467 56.400 -0.066 0.000 0.803 130 E CB -0.443 29.197 29.700 -0.101 0.000 0.755 130 E HN 0.253 nan 8.360 nan 0.000 0.453 131 M N 0.365 119.956 119.600 -0.015 0.000 2.175 131 M HA -0.125 4.355 4.480 -0.000 0.000 0.264 131 M C 2.408 178.650 176.300 -0.096 0.000 1.063 131 M CA 0.918 56.259 55.300 0.067 0.000 1.119 131 M CB -0.082 32.667 32.600 0.249 0.000 1.377 131 M HN -0.009 nan 8.290 nan 0.000 0.415 132 V N 0.583 120.291 119.914 -0.345 0.000 2.295 132 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 132 V C 2.340 178.322 176.094 -0.187 0.000 1.049 132 V CA 1.906 63.925 62.300 -0.470 0.000 1.024 132 V CB -0.702 30.813 31.823 -0.513 0.000 0.648 132 V HN 0.438 nan 8.190 nan 0.000 0.447 133 R N -1.202 119.237 120.500 -0.101 0.000 2.096 133 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 133 R C 2.218 178.536 176.300 0.029 0.000 1.127 133 R CA 1.694 57.772 56.100 -0.036 0.000 0.968 133 R CB -0.484 29.805 30.300 -0.018 0.000 0.861 133 R HN 0.481 nan 8.270 nan 0.000 0.440 134 F N 1.118 121.028 119.950 -0.067 0.000 2.216 134 F HA -0.127 4.400 4.527 -0.000 0.000 0.300 134 F C 1.965 177.736 175.800 -0.048 0.000 1.085 134 F CA 1.321 59.307 58.000 -0.023 0.000 1.326 134 F CB 0.012 39.040 39.000 0.046 0.000 1.027 134 F HN -0.028 nan 8.300 nan 0.000 0.497 135 A N -0.777 122.069 122.820 0.043 0.000 2.278 135 A HA 0.430 4.750 4.320 -0.000 0.000 0.212 135 A C 1.767 179.309 177.584 -0.070 0.000 1.213 135 A CA 0.664 52.677 52.037 -0.040 0.000 0.840 135 A CB -1.189 17.799 19.000 -0.020 0.000 0.866 135 A HN 0.808 nan 8.150 nan 0.000 0.489 136 G N -1.742 107.008 108.800 -0.084 0.000 2.176 136 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.253 136 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.253 136 G C 0.772 175.633 174.900 -0.064 0.000 0.979 136 G CA 0.315 45.369 45.100 -0.077 0.000 0.641 136 G HN 1.349 nan 8.290 nan 0.000 0.530 137 G N -1.242 107.513 108.800 -0.075 0.000 2.616 137 G HA2 0.597 4.557 3.960 -0.000 0.000 0.268 137 G HA3 0.597 4.557 3.960 -0.000 0.000 0.268 137 G C -0.278 174.570 174.900 -0.088 0.000 1.213 137 G CA 0.162 45.212 45.100 -0.084 0.000 0.926 137 G HN 0.988 nan 8.290 nan 0.000 0.523 138 V N 0.208 120.070 119.914 -0.087 0.000 2.444 138 V HA 0.265 4.385 4.120 -0.000 0.000 0.294 138 V C 0.039 176.075 176.094 -0.096 0.000 1.022 138 V CA -0.655 61.599 62.300 -0.078 0.000 0.850 138 V CB 1.609 33.398 31.823 -0.057 0.000 0.992 138 V HN 0.496 nan 8.190 nan 0.000 0.426 139 V N 6.058 125.913 119.914 -0.098 0.000 2.488 139 V HA 0.274 4.394 4.120 -0.000 0.000 0.277 139 V C 0.039 176.093 176.094 -0.067 0.000 1.046 139 V CA -0.134 62.101 62.300 -0.108 0.000 0.986 139 V CB 1.500 33.248 31.823 -0.125 0.000 0.989 139 V HN 0.607 nan 8.190 nan 0.000 0.475 140 V N 5.187 125.061 119.914 -0.067 0.000 2.349 140 V HA 0.327 4.447 4.120 -0.000 0.000 0.284 140 V C 0.141 176.227 176.094 -0.013 0.000 1.014 140 V CA -0.596 61.681 62.300 -0.039 0.000 0.826 140 V CB 1.387 33.174 31.823 -0.059 0.000 1.009 140 V HN 0.933 nan 8.190 nan 0.000 0.431 141 E N 3.633 123.854 120.200 0.035 0.000 2.313 141 E HA 0.545 4.895 4.350 -0.000 0.000 0.276 141 E C -1.404 175.246 176.600 0.083 0.000 1.031 141 E CA -0.295 56.162 56.400 0.095 0.000 0.857 141 E CB 1.821 31.627 29.700 0.177 0.000 1.040 141 E HN 0.448 nan 8.360 nan 0.000 0.408 142 V N 4.155 124.128 119.914 0.097 0.000 2.588 142 V HA 0.207 4.327 4.120 -0.000 0.000 0.304 142 V C -0.314 175.840 176.094 0.100 0.000 1.042 142 V CA -0.733 61.611 62.300 0.074 0.000 0.877 142 V CB 1.766 33.616 31.823 0.046 0.000 0.996 142 V HN 0.745 nan 8.190 nan 0.000 0.425 143 E N 2.429 122.680 120.200 0.086 0.000 2.283 143 E HA 0.506 4.856 4.350 -0.000 0.000 0.278 143 E C -0.255 176.396 176.600 0.085 0.000 1.027 143 E CA -0.359 56.098 56.400 0.095 0.000 0.843 143 E CB 1.264 31.018 29.700 0.091 0.000 1.062 143 E HN 0.853 nan 8.360 nan 0.000 0.401 144 T N 1.821 116.447 114.554 0.120 0.000 2.859 144 T HA 0.544 4.894 4.350 -0.000 0.000 0.281 144 T C -0.167 174.640 174.700 0.179 0.000 1.005 144 T CA -0.887 61.292 62.100 0.132 0.000 1.025 144 T CB 0.673 69.650 68.868 0.181 0.000 0.977 144 T HN 0.303 nan 8.240 nan 0.000 0.458 145 L N 3.651 124.904 121.223 0.049 0.000 2.325 145 L HA 0.403 4.743 4.340 -0.000 0.000 0.278 145 L C -1.692 174.921 176.870 -0.428 0.000 1.023 145 L CA -2.856 51.935 54.840 -0.081 0.000 0.811 145 L CB 2.056 44.077 42.059 -0.063 0.000 1.249 145 L HN 0.395 nan 8.230 nan 0.000 0.431 146 P HA -0.199 nan 4.420 nan 0.000 0.216 146 P C 1.028 178.017 177.300 -0.518 0.000 1.150 146 P CA 1.085 63.529 63.100 -1.093 0.000 0.837 146 P CB 0.125 31.506 31.700 -0.533 0.000 0.786 147 E N 0.295 120.328 120.200 -0.278 0.000 2.418 147 E HA -0.143 4.207 4.350 -0.000 0.000 0.197 147 E C 0.796 177.315 176.600 -0.136 0.000 1.026 147 E CA 1.010 57.315 56.400 -0.157 0.000 0.862 147 E CB -0.619 29.026 29.700 -0.091 0.000 0.799 147 E HN 0.394 nan 8.360 nan 0.000 0.518 148 E N 0.216 120.315 120.200 -0.169 0.000 2.558 148 E HA 0.232 4.582 4.350 -0.000 0.000 0.205 148 E C 0.387 176.922 176.600 -0.108 0.000 1.006 148 E CA 0.100 56.436 56.400 -0.108 0.000 0.961 148 E CB 0.629 30.280 29.700 -0.081 0.000 1.044 148 E HN 0.387 nan 8.360 nan 0.000 0.465 149 G N 1.233 109.921 108.800 -0.187 0.000 2.225 149 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.267 149 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.267 149 G C 0.326 175.245 174.900 0.031 0.000 1.024 149 G CA 0.293 45.323 45.100 -0.116 0.000 0.784 149 G HN 0.383 nan 8.290 nan 0.000 0.507 150 F N -3.850 116.109 119.950 0.015 0.000 3.084 150 F HA -0.221 4.306 4.527 -0.000 0.000 0.286 150 F C 1.048 176.862 175.800 0.025 0.000 0.855 150 F CA 0.587 58.600 58.000 0.022 0.000 1.091 150 F CB -1.952 37.071 39.000 0.038 0.000 1.177 150 F HN 0.334 nan 8.300 nan 0.000 0.542 151 V N 2.363 122.318 119.914 0.069 0.000 2.439 151 V HA 0.394 4.513 4.120 -0.000 0.000 0.282 151 V C -1.379 174.573 176.094 -0.237 0.000 1.039 151 V CA -1.642 60.558 62.300 -0.167 0.000 0.913 151 V CB 1.566 33.346 31.823 -0.071 0.000 0.983 151 V HN -0.099 nan 8.190 nan 0.000 0.460 152 P HA 0.083 nan 4.420 nan 0.000 0.271 152 P C -0.936 176.276 177.300 -0.146 0.000 1.216 152 P CA -0.126 62.836 63.100 -0.230 0.000 0.776 152 P CB 0.886 32.432 31.700 -0.256 0.000 0.881 153 D N 3.769 124.123 120.400 -0.076 0.000 2.359 153 D HA 0.187 4.827 4.640 -0.000 0.000 0.230 153 D C -1.659 174.622 176.300 -0.032 0.000 1.118 153 D CA -2.459 51.512 54.000 -0.049 0.000 0.844 153 D CB 0.957 41.739 40.800 -0.030 0.000 1.059 153 D HN 0.053 nan 8.370 nan 0.000 0.493 154 P HA -0.140 nan 4.420 nan 0.000 0.218 154 P C 0.884 178.188 177.300 0.007 0.000 1.146 154 P CA 0.896 63.995 63.100 -0.002 0.000 0.813 154 P CB 0.480 32.181 31.700 0.001 0.000 0.778 155 E N -0.810 119.391 120.200 0.001 0.000 2.216 155 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 155 E C 2.006 178.607 176.600 0.002 0.000 0.988 155 E CA 0.835 57.237 56.400 0.005 0.000 0.834 155 E CB -0.273 29.429 29.700 0.003 0.000 0.772 155 E HN 0.092 nan 8.360 nan 0.000 0.479 156 R N -0.602 119.898 120.500 -0.001 0.000 2.119 156 R HA -0.002 4.338 4.340 -0.000 0.000 0.222 156 R C 2.108 178.407 176.300 -0.001 0.000 1.088 156 R CA 1.053 57.153 56.100 0.000 0.000 0.984 156 R CB -0.033 30.269 30.300 0.003 0.000 0.884 156 R HN 0.120 nan 8.270 nan 0.000 0.447 157 V N 0.966 120.880 119.914 0.000 0.000 2.453 157 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 157 V C 2.485 178.568 176.094 -0.018 0.000 1.048 157 V CA 1.268 63.568 62.300 -0.001 0.000 1.049 157 V CB -0.561 31.274 31.823 0.021 0.000 0.672 157 V HN 0.242 nan 8.190 nan 0.000 0.457 158 R N 0.686 121.179 120.500 -0.011 0.000 2.103 158 R HA -0.154 4.186 4.340 -0.000 0.000 0.242 158 R C 2.432 178.699 176.300 -0.055 0.000 1.142 158 R CA 1.692 57.772 56.100 -0.034 0.000 0.960 158 R CB -0.302 30.000 30.300 0.003 0.000 0.858 158 R HN 0.475 nan 8.270 nan 0.000 0.439 159 R N -0.658 119.824 120.500 -0.030 0.000 2.189 159 R HA -0.025 4.315 4.340 -0.000 0.000 0.223 159 R C 1.853 178.129 176.300 -0.040 0.000 1.092 159 R CA 1.024 57.108 56.100 -0.027 0.000 0.989 159 R CB -0.052 30.241 30.300 -0.011 0.000 0.876 159 R HN 0.149 nan 8.270 nan 0.000 0.457 160 A N 0.712 123.500 122.820 -0.053 0.000 2.275 160 A HA 0.160 4.480 4.320 -0.000 0.000 0.212 160 A C 0.792 178.312 177.584 -0.107 0.000 1.201 160 A CA -0.097 51.900 52.037 -0.065 0.000 0.843 160 A CB 0.114 19.081 19.000 -0.055 0.000 0.873 160 A HN 0.068 nan 8.150 nan 0.000 0.492 161 I N 1.794 122.284 120.570 -0.134 0.000 2.416 161 I HA 0.258 4.428 4.170 -0.000 0.000 0.288 161 I C 0.776 176.831 176.117 -0.103 0.000 1.051 161 I CA 0.025 61.221 61.300 -0.174 0.000 1.375 161 I CB 1.338 39.175 38.000 -0.271 0.000 1.407 161 I HN 0.313 nan 8.210 nan 0.000 0.516 162 T N 2.415 116.924 114.554 -0.075 0.000 2.864 162 T HA 0.458 4.808 4.350 -0.000 0.000 0.289 162 T C -2.326 172.379 174.700 0.008 0.000 1.082 162 T CA -1.802 60.283 62.100 -0.026 0.000 1.009 162 T CB 1.826 70.676 68.868 -0.030 0.000 1.234 162 T HN 0.203 nan 8.240 nan 0.000 0.526 163 P HA 0.134 nan 4.420 nan 0.000 0.230 163 P C 1.034 178.352 177.300 0.031 0.000 1.158 163 P CA 0.376 63.502 63.100 0.044 0.000 0.769 163 P CB 0.130 31.852 31.700 0.036 0.000 0.807 164 R N -1.586 118.918 120.500 0.007 0.000 2.334 164 R HA 0.160 4.500 4.340 -0.000 0.000 0.216 164 R C 0.212 176.502 176.300 -0.018 0.000 0.905 164 R CA 0.273 56.372 56.100 -0.001 0.000 1.064 164 R CB -0.616 29.676 30.300 -0.013 0.000 1.046 164 R HN 0.144 nan 8.270 nan 0.000 0.508 165 T N 1.913 116.444 114.554 -0.038 0.000 2.817 165 T HA 0.055 4.405 4.350 -0.000 0.000 0.295 165 T C 1.158 175.832 174.700 -0.045 0.000 0.958 165 T CA 0.277 62.303 62.100 -0.123 0.000 1.157 165 T CB 1.376 70.073 68.868 -0.285 0.000 0.898 165 T HN -0.099 nan 8.240 nan 0.000 0.536 166 K N 1.140 121.522 120.400 -0.031 0.000 2.287 166 K HA 0.443 4.763 4.320 -0.000 0.000 0.199 166 K C 0.554 177.279 176.600 0.209 0.000 1.061 166 K CA 0.267 56.618 56.287 0.106 0.000 0.976 166 K CB 0.705 33.285 32.500 0.133 0.000 0.898 166 K HN 0.732 nan 8.250 nan 0.000 0.492 167 A N 0.663 123.530 122.820 0.077 0.000 2.610 167 A HA 0.613 4.933 4.320 -0.000 0.000 0.291 167 A C -2.021 175.533 177.584 -0.049 0.000 1.086 167 A CA -0.709 51.434 52.037 0.178 0.000 0.677 167 A CB 1.306 20.492 19.000 0.311 0.000 1.278 167 A HN 0.052 nan 8.150 nan 0.000 0.414 168 L N 1.098 122.371 121.223 0.082 0.000 2.409 168 L HA 0.741 5.081 4.340 -0.000 0.000 0.272 168 L C -1.364 175.569 176.870 0.106 0.000 0.980 168 L CA -0.413 54.448 54.840 0.035 0.000 0.826 168 L CB 1.881 44.015 42.059 0.125 0.000 1.268 168 L HN 0.491 nan 8.230 nan 0.000 0.407 169 V N 5.788 125.723 119.914 0.035 0.000 2.407 169 V HA 0.612 4.732 4.120 -0.000 0.000 0.278 169 V C -0.246 175.865 176.094 0.029 0.000 1.037 169 V CA -0.510 61.772 62.300 -0.029 0.000 0.900 169 V CB 1.497 33.164 31.823 -0.261 0.000 0.983 169 V HN 0.578 nan 8.190 nan 0.000 0.459 170 V N 4.772 124.732 119.914 0.076 0.000 2.656 170 V HA 0.485 4.605 4.120 -0.000 0.000 0.307 170 V C -0.152 176.031 176.094 0.148 0.000 1.051 170 V CA -0.689 61.722 62.300 0.185 0.000 0.893 170 V CB 1.969 33.932 31.823 0.233 0.000 0.999 170 V HN 0.945 nan 8.190 nan 0.000 0.426 171 N N 2.372 121.180 118.700 0.179 0.000 2.617 171 N HA 0.400 5.140 4.740 -0.000 0.000 0.263 171 N C -1.394 174.040 175.510 -0.127 0.000 1.074 171 N CA 0.036 53.148 53.050 0.103 0.000 0.841 171 N CB 1.282 39.927 38.487 0.263 0.000 1.221 171 N HN 0.632 nan 8.380 nan 0.000 0.529 172 S N 3.687 119.284 115.700 -0.172 0.000 2.614 172 S HA 0.513 4.983 4.470 -0.000 0.000 0.288 172 S C -2.835 171.758 174.600 -0.012 0.000 1.137 172 S CA -1.132 56.865 58.200 -0.338 0.000 0.992 172 S CB 1.455 64.292 63.200 -0.605 0.000 1.026 172 S HN 0.347 nan 8.310 nan 0.000 0.486 173 P HA 0.134 nan 4.420 nan 0.000 0.269 173 P C -0.759 176.442 177.300 -0.165 0.000 1.209 173 P CA -0.257 62.761 63.100 -0.137 0.000 0.776 173 P CB 0.397 32.020 31.700 -0.129 0.000 0.876 174 N N 2.839 121.401 118.700 -0.230 0.000 2.498 174 N HA 0.105 4.845 4.740 -0.000 0.000 0.287 174 N C -0.820 174.549 175.510 -0.236 0.000 1.097 174 N CA -0.164 52.780 53.050 -0.177 0.000 0.973 174 N CB 0.360 38.779 38.487 -0.113 0.000 1.153 174 N HN 0.278 nan 8.380 nan 0.000 0.472 175 N N 3.483 122.059 118.700 -0.206 0.000 2.407 175 N HA 0.343 5.083 4.740 -0.000 0.000 0.277 175 N C -2.107 173.268 175.510 -0.225 0.000 0.995 175 N CA -2.038 50.813 53.050 -0.331 0.000 0.903 175 N CB 1.853 40.166 38.487 -0.291 0.000 1.218 175 N HN 0.374 nan 8.380 nan 0.000 0.487 176 P HA 0.059 nan 4.420 nan 0.000 0.251 176 P C 0.794 177.828 177.300 -0.442 0.000 1.223 176 P CA 0.514 63.213 63.100 -0.668 0.000 0.796 176 P CB 0.234 31.307 31.700 -1.045 0.000 1.068 177 T N -4.313 110.018 114.554 -0.372 0.000 2.985 177 T HA 0.166 4.516 4.350 -0.000 0.000 0.266 177 T C 1.706 176.369 174.700 -0.061 0.000 1.076 177 T CA 1.202 63.123 62.100 -0.300 0.000 1.135 177 T CB -1.225 67.377 68.868 -0.442 0.000 0.890 177 T HN 0.189 nan 8.240 nan 0.000 0.480 178 G N 1.334 110.090 108.800 -0.073 0.000 2.162 178 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.260 178 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.260 178 G C 0.264 175.177 174.900 0.022 0.000 0.976 178 G CA 0.084 45.166 45.100 -0.029 0.000 0.655 178 G HN 1.243 nan 8.290 nan 0.000 0.533 179 A N -0.464 122.387 122.820 0.052 0.000 2.388 179 A HA 0.713 5.033 4.320 -0.000 0.000 0.257 179 A C 0.285 177.874 177.584 0.009 0.000 1.095 179 A CA 0.180 52.296 52.037 0.131 0.000 0.791 179 A CB 1.277 20.468 19.000 0.319 0.000 1.029 179 A HN 1.123 nan 8.150 nan 0.000 0.489 180 V N 3.664 123.620 119.914 0.071 0.000 2.384 180 V HA 0.275 4.395 4.120 -0.000 0.000 0.287 180 V C -1.087 175.117 176.094 0.184 0.000 1.020 180 V CA -0.552 61.757 62.300 0.016 0.000 0.850 180 V CB 0.780 32.628 31.823 0.041 0.000 0.987 180 V HN 0.697 nan 8.190 nan 0.000 0.436 181 Y N 6.269 126.610 120.300 0.069 0.000 2.335 181 Y HA 0.391 4.941 4.550 -0.000 0.000 0.331 181 Y C -1.593 174.323 175.900 0.027 0.000 1.094 181 Y CA -3.601 54.530 58.100 0.052 0.000 1.253 181 Y CB 0.013 38.508 38.460 0.059 0.000 1.203 181 Y HN 0.440 nan 8.280 nan 0.000 0.508 182 P HA 0.043 nan 4.420 nan 0.000 0.269 182 P C 0.365 177.641 177.300 -0.041 0.000 1.215 182 P CA -0.333 62.794 63.100 0.045 0.000 0.780 182 P CB 1.242 32.951 31.700 0.016 0.000 0.898 183 K N 1.771 122.064 120.400 -0.178 0.000 2.103 183 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 183 K C 1.151 177.473 176.600 -0.463 0.000 1.048 183 K CA 1.698 57.651 56.287 -0.557 0.000 0.930 183 K CB -0.416 31.526 32.500 -0.930 0.000 0.716 183 K HN 0.199 nan 8.250 nan 0.000 0.444 184 E N 1.180 121.227 120.200 -0.255 0.000 2.110 184 E HA -0.110 4.239 4.350 -0.000 0.000 0.193 184 E C 2.041 178.574 176.600 -0.111 0.000 0.988 184 E CA 1.190 57.486 56.400 -0.173 0.000 0.804 184 E CB -0.172 29.462 29.700 -0.109 0.000 0.745 184 E HN 0.135 nan 8.360 nan 0.000 0.458 185 V N 0.453 120.323 119.914 -0.074 0.000 2.358 185 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 185 V C 1.941 178.036 176.094 0.002 0.000 1.047 185 V CA 1.055 63.334 62.300 -0.036 0.000 1.035 185 V CB -0.291 31.507 31.823 -0.040 0.000 0.658 185 V HN 0.240 nan 8.190 nan 0.000 0.452 186 L N 0.000 121.239 121.223 0.026 0.000 2.093 186 L HA -0.120 4.219 4.340 -0.000 0.000 0.208 186 L C 2.414 179.347 176.870 0.104 0.000 1.085 186 L CA 1.700 56.612 54.840 0.120 0.000 0.755 186 L CB -1.146 41.055 42.059 0.236 0.000 0.904 186 L HN 0.440 nan 8.230 nan 0.000 0.435 187 E N -0.924 119.268 120.200 -0.013 0.000 2.107 187 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 187 E C 2.247 178.851 176.600 0.008 0.000 0.982 187 E CA 0.977 57.382 56.400 0.008 0.000 0.809 187 E CB -0.128 29.515 29.700 -0.096 0.000 0.756 187 E HN 0.472 nan 8.360 nan 0.000 0.459 188 A N 1.377 124.192 122.820 -0.008 0.000 1.902 188 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 188 A C 2.196 179.797 177.584 0.028 0.000 1.181 188 A CA 1.016 53.054 52.037 0.001 0.000 0.623 188 A CB -0.607 18.389 19.000 -0.007 0.000 0.818 188 A HN 0.121 nan 8.150 nan 0.000 0.443 189 L N -0.878 120.376 121.223 0.051 0.000 2.046 189 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 189 L C 3.095 180.007 176.870 0.070 0.000 1.077 189 L CA 1.083 55.977 54.840 0.090 0.000 0.747 189 L CB -0.633 41.497 42.059 0.119 0.000 0.896 189 L HN 0.448 nan 8.230 nan 0.000 0.432 190 A N 0.224 123.074 122.820 0.050 0.000 1.933 190 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 190 A C 2.368 179.890 177.584 -0.103 0.000 1.175 190 A CA 1.349 53.382 52.037 -0.007 0.000 0.628 190 A CB -0.431 18.593 19.000 0.040 0.000 0.814 190 A HN 0.343 nan 8.150 nan 0.000 0.444 191 R N -0.573 119.889 120.500 -0.064 0.000 2.092 191 R HA 0.022 4.362 4.340 -0.000 0.000 0.231 191 R C 1.959 178.191 176.300 -0.113 0.000 1.119 191 R CA 1.193 57.235 56.100 -0.098 0.000 0.970 191 R CB -0.477 29.793 30.300 -0.051 0.000 0.864 191 R HN 0.488 nan 8.270 nan 0.000 0.440 192 L N 0.264 121.467 121.223 -0.034 0.000 2.046 192 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 192 L C 2.683 179.407 176.870 -0.244 0.000 1.077 192 L CA 1.231 56.114 54.840 0.071 0.000 0.747 192 L CB -0.585 41.599 42.059 0.208 0.000 0.896 192 L HN 0.248 nan 8.230 nan 0.000 0.432 193 A N -0.442 122.035 122.820 -0.572 0.000 1.902 193 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 193 A C 2.290 179.386 177.584 -0.813 0.000 1.181 193 A CA 1.754 53.071 52.037 -1.200 0.000 0.623 193 A CB -0.713 17.915 19.000 -0.619 0.000 0.818 193 A HN 0.216 nan 8.150 nan 0.000 0.443 194 V N -0.244 119.240 119.914 -0.716 0.000 2.453 194 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 194 V C 2.350 178.228 176.094 -0.361 0.000 1.048 194 V CA 2.123 63.969 62.300 -0.757 0.000 1.049 194 V CB -0.722 30.752 31.823 -0.580 0.000 0.672 194 V HN 0.621 nan 8.190 nan 0.000 0.457 195 E N -0.509 119.500 120.200 -0.319 0.000 2.072 195 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 195 E C 1.830 178.175 176.600 -0.424 0.000 0.982 195 E CA 1.280 57.477 56.400 -0.338 0.000 0.803 195 E CB -0.049 29.429 29.700 -0.370 0.000 0.755 195 E HN 0.751 nan 8.360 nan 0.000 0.453 196 H N -0.538 118.448 119.070 -0.140 0.000 2.586 196 H HA 0.093 4.649 4.556 -0.000 0.000 0.273 196 H C -0.467 174.861 175.328 0.000 0.000 0.997 196 H CA 0.231 56.276 56.048 -0.006 0.000 1.177 196 H CB 0.512 30.392 29.762 0.197 0.000 1.471 196 H HN -0.022 nan 8.280 nan 0.000 0.538 197 D N 0.378 120.739 120.400 -0.064 0.000 2.956 197 D HA -0.198 4.442 4.640 -0.000 0.000 0.240 197 D C -0.968 175.355 176.300 0.039 0.000 1.141 197 D CA 0.750 54.751 54.000 0.001 0.000 0.820 197 D CB -1.271 39.538 40.800 0.016 0.000 0.988 197 D HN 0.410 nan 8.370 nan 0.000 0.417 198 F N -1.200 118.784 119.950 0.056 0.000 2.726 198 F HA 0.732 5.259 4.527 -0.000 0.000 0.324 198 F C -0.881 174.904 175.800 -0.025 0.000 1.140 198 F CA -1.558 56.406 58.000 -0.061 0.000 0.964 198 F CB 0.611 39.628 39.000 0.028 0.000 1.399 198 F HN -0.176 nan 8.300 nan 0.000 0.491 199 Y N 1.888 122.459 120.300 0.451 0.000 2.310 199 Y HA 0.509 5.059 4.550 -0.000 0.000 0.326 199 Y C -0.052 176.070 175.900 0.371 0.000 1.151 199 Y CA -1.028 57.245 58.100 0.288 0.000 1.195 199 Y CB 1.207 39.763 38.460 0.159 0.000 1.210 199 Y HN 0.513 nan 8.280 nan 0.000 0.483 200 L N 4.702 126.175 121.223 0.415 0.000 2.287 200 L HA 0.515 4.855 4.340 -0.000 0.000 0.287 200 L C -1.244 175.741 176.870 0.192 0.000 1.022 200 L CA -0.752 54.272 54.840 0.307 0.000 0.814 200 L CB 1.050 43.239 42.059 0.217 0.000 1.217 200 L HN 0.412 nan 8.230 nan 0.000 0.420 201 V N 4.649 124.649 119.914 0.143 0.000 2.318 201 V HA 0.267 4.387 4.120 -0.000 0.000 0.271 201 V C 0.472 176.589 176.094 0.037 0.000 1.030 201 V CA -0.318 62.008 62.300 0.042 0.000 0.844 201 V CB 1.285 33.109 31.823 0.002 0.000 1.015 201 V HN 0.880 nan 8.190 nan 0.000 0.460 202 S N 3.526 119.242 115.700 0.027 0.000 2.420 202 S HA 0.261 4.731 4.470 -0.000 0.000 0.313 202 S C -0.416 174.205 174.600 0.035 0.000 1.079 202 S CA -0.605 57.621 58.200 0.043 0.000 1.104 202 S CB 0.469 63.693 63.200 0.040 0.000 0.969 202 S HN 0.797 nan 8.310 nan 0.000 0.471 203 D N 4.005 124.435 120.400 0.051 0.000 2.456 203 D HA 0.188 4.828 4.640 -0.000 0.000 0.219 203 D C 0.272 176.593 176.300 0.036 0.000 1.126 203 D CA -0.214 53.814 54.000 0.046 0.000 0.890 203 D CB 0.665 41.535 40.800 0.117 0.000 1.025 203 D HN 0.651 nan 8.370 nan 0.000 0.511 204 E N 2.757 122.975 120.200 0.029 0.000 2.437 204 E HA 0.050 4.400 4.350 -0.000 0.000 0.195 204 E C 1.448 177.964 176.600 -0.140 0.000 1.029 204 E CA -0.081 56.341 56.400 0.036 0.000 0.948 204 E CB 0.212 30.022 29.700 0.183 0.000 1.082 204 E HN 0.517 nan 8.360 nan 0.000 0.456 205 I N -1.592 118.837 120.570 -0.235 0.000 2.530 205 I HA -0.252 3.918 4.170 -0.000 0.000 0.257 205 I C 1.300 177.083 176.117 -0.558 0.000 1.179 205 I CA 1.384 62.434 61.300 -0.417 0.000 1.440 205 I CB -0.864 36.800 38.000 -0.561 0.000 1.087 205 I HN 0.084 nan 8.210 nan 0.000 0.440 206 Y N 1.873 122.004 120.300 -0.281 0.000 2.470 206 Y HA 0.126 4.676 4.550 -0.000 0.000 0.284 206 Y C 2.130 177.802 175.900 -0.379 0.000 1.188 206 Y CA -0.008 57.904 58.100 -0.314 0.000 1.269 206 Y CB -0.879 37.385 38.460 -0.326 0.000 1.094 206 Y HN 0.408 nan 8.280 nan 0.000 0.518 207 E N -0.572 119.352 120.200 -0.459 0.000 2.147 207 E HA -0.310 4.040 4.350 -0.000 0.000 0.199 207 E C 0.773 177.033 176.600 -0.565 0.000 1.005 207 E CA 2.312 58.212 56.400 -0.833 0.000 0.810 207 E CB -0.596 28.379 29.700 -1.208 0.000 0.736 207 E HN 0.626 nan 8.360 nan 0.000 0.460 208 H N 0.035 118.955 119.070 -0.251 0.000 2.548 208 H HA 0.223 4.779 4.556 -0.000 0.000 0.265 208 H C 0.221 175.469 175.328 -0.133 0.000 0.969 208 H CA -0.007 55.938 56.048 -0.173 0.000 1.155 208 H CB 0.288 29.939 29.762 -0.185 0.000 1.394 208 H HN 0.093 nan 8.280 nan 0.000 0.570 209 L N 1.965 123.157 121.223 -0.053 0.000 2.556 209 L HA 0.262 4.602 4.340 -0.000 0.000 0.245 209 L C -1.033 175.582 176.870 -0.425 0.000 1.174 209 L CA -0.431 54.350 54.840 -0.098 0.000 1.117 209 L CB 0.255 42.319 42.059 0.008 0.000 1.409 209 L HN 0.114 nan 8.230 nan 0.000 0.411 210 L N 0.715 121.660 121.223 -0.463 0.000 2.381 210 L HA 0.390 4.730 4.340 -0.000 0.000 0.274 210 L C -0.205 176.357 176.870 -0.512 0.000 0.988 210 L CA -0.142 54.400 54.840 -0.497 0.000 0.824 210 L CB 1.698 43.651 42.059 -0.177 0.000 1.263 210 L HN 0.132 nan 8.230 nan 0.000 0.410 211 Y N 1.724 122.074 120.300 0.084 0.000 2.522 211 Y HA 0.362 4.912 4.550 -0.000 0.000 0.277 211 Y C 0.479 176.418 175.900 0.065 0.000 1.104 211 Y CA -0.270 57.879 58.100 0.081 0.000 1.260 211 Y CB 0.235 38.749 38.460 0.089 0.000 1.151 211 Y HN 0.532 nan 8.280 nan 0.000 0.539 212 E N -0.259 120.024 120.200 0.138 0.000 2.390 212 E HA 0.532 4.882 4.350 -0.000 0.000 0.277 212 E C 0.113 176.757 176.600 0.074 0.000 0.939 212 E CA -0.393 56.070 56.400 0.105 0.000 0.769 212 E CB 2.256 32.023 29.700 0.112 0.000 1.251 212 E HN 0.235 nan 8.360 nan 0.000 0.450 213 G N 1.593 110.434 108.800 0.069 0.000 2.660 213 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.247 213 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.247 213 G C -1.075 173.868 174.900 0.071 0.000 1.328 213 G CA -0.310 44.829 45.100 0.066 0.000 0.884 213 G HN 0.629 nan 8.290 nan 0.000 0.531 214 E N -0.655 119.595 120.200 0.084 0.000 2.256 214 E HA 0.464 4.814 4.350 -0.000 0.000 0.267 214 E C -0.917 175.769 176.600 0.144 0.000 0.892 214 E CA -0.857 55.609 56.400 0.110 0.000 0.775 214 E CB 1.956 31.723 29.700 0.111 0.000 1.207 214 E HN 0.621 nan 8.360 nan 0.000 0.420 215 H N 2.221 121.329 119.070 0.064 0.000 2.705 215 H HA 0.244 4.800 4.556 -0.000 0.000 0.291 215 H C -1.562 173.840 175.328 0.124 0.000 1.085 215 H CA -0.359 55.724 56.048 0.058 0.000 1.357 215 H CB 0.006 29.757 29.762 -0.018 0.000 1.419 215 H HN 0.321 nan 8.280 nan 0.000 0.462 216 F N 3.713 123.432 119.950 -0.386 0.000 2.422 216 F HA 0.478 5.005 4.527 -0.000 0.000 0.333 216 F C -0.561 175.013 175.800 -0.377 0.000 1.095 216 F CA -0.486 57.359 58.000 -0.258 0.000 1.038 216 F CB 1.374 40.303 39.000 -0.117 0.000 1.156 216 F HN 0.430 nan 8.300 nan 0.000 0.483 217 S N 7.391 122.582 115.700 -0.848 0.000 2.433 217 S HA 0.278 4.748 4.470 -0.000 0.000 0.310 217 S C -1.988 172.237 174.600 -0.626 0.000 1.097 217 S CA -1.046 56.840 58.200 -0.522 0.000 1.103 217 S CB 1.648 64.673 63.200 -0.292 0.000 0.992 217 S HN 0.496 nan 8.310 nan 0.000 0.469 218 P HA -0.053 nan 4.420 nan 0.000 0.221 218 P C 1.506 178.770 177.300 -0.059 0.000 1.145 218 P CA 0.660 63.764 63.100 0.006 0.000 0.795 218 P CB -0.011 31.749 31.700 0.100 0.000 0.775 219 G N -0.096 108.636 108.800 -0.114 0.000 2.498 219 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 219 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 219 G C 1.548 176.388 174.900 -0.099 0.000 1.119 219 G CA 0.142 45.190 45.100 -0.087 0.000 0.766 219 G HN 0.261 nan 8.290 nan 0.000 0.552 220 R N -0.321 120.072 120.500 -0.180 0.000 2.120 220 R HA -0.044 4.296 4.340 -0.000 0.000 0.234 220 R C 2.487 178.766 176.300 -0.034 0.000 1.123 220 R CA 1.606 57.620 56.100 -0.144 0.000 0.975 220 R CB -0.192 29.939 30.300 -0.282 0.000 0.866 220 R HN 0.510 nan 8.270 nan 0.000 0.446 221 V N -4.612 115.307 119.914 0.008 0.000 3.523 221 V HA 0.442 4.562 4.120 -0.000 0.000 0.255 221 V C 0.760 176.865 176.094 0.019 0.000 1.226 221 V CA 0.511 62.838 62.300 0.045 0.000 1.092 221 V CB 0.890 32.776 31.823 0.106 0.000 0.817 221 V HN 0.077 nan 8.190 nan 0.000 0.458 222 A N 1.520 124.350 122.820 0.016 0.000 3.355 222 A HA 0.654 4.974 4.320 -0.000 0.000 0.290 222 A C -1.253 176.376 177.584 0.075 0.000 0.973 222 A CA -0.743 51.312 52.037 0.031 0.000 0.933 222 A CB 0.231 19.210 19.000 -0.035 0.000 1.138 222 A HN 0.335 nan 8.150 nan 0.000 0.490 223 P HA -0.193 nan 4.420 nan 0.000 0.218 223 P C 0.782 178.110 177.300 0.047 0.000 1.148 223 P CA 1.326 64.440 63.100 0.024 0.000 0.822 223 P CB 0.349 32.047 31.700 -0.003 0.000 0.784 224 E N -1.680 118.570 120.200 0.083 0.000 2.482 224 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 224 E C 1.100 177.687 176.600 -0.022 0.000 1.047 224 E CA 0.445 56.860 56.400 0.026 0.000 0.869 224 E CB -0.289 29.401 29.700 -0.016 0.000 0.836 224 E HN 0.511 nan 8.360 nan 0.000 0.520 225 H N -1.473 117.624 119.070 0.046 0.000 2.874 225 H HA 0.175 4.731 4.556 -0.000 0.000 0.264 225 H C -0.262 175.165 175.328 0.164 0.000 1.007 225 H CA 0.310 56.411 56.048 0.088 0.000 1.207 225 H CB 1.005 30.748 29.762 -0.031 0.000 1.487 225 H HN -0.136 nan 8.280 nan 0.000 0.505 226 T N 1.438 116.105 114.554 0.189 0.000 2.794 226 T HA 0.464 4.814 4.350 -0.000 0.000 0.280 226 T C -0.277 174.431 174.700 0.012 0.000 0.987 226 T CA -0.615 61.548 62.100 0.105 0.000 0.993 226 T CB 1.583 70.480 68.868 0.049 0.000 0.939 226 T HN 0.047 nan 8.240 nan 0.000 0.449 227 L N 3.394 124.605 121.223 -0.021 0.000 2.295 227 L HA 0.359 4.699 4.340 -0.000 0.000 0.281 227 L C 0.269 177.078 176.870 -0.101 0.000 1.018 227 L CA -0.566 54.209 54.840 -0.108 0.000 0.841 227 L CB 1.127 43.082 42.059 -0.174 0.000 1.218 227 L HN 0.643 nan 8.230 nan 0.000 0.424 228 T N 2.921 117.386 114.554 -0.147 0.000 2.743 228 T HA 0.395 4.744 4.350 -0.000 0.000 0.293 228 T C 0.061 174.712 174.700 -0.081 0.000 0.945 228 T CA -0.322 61.701 62.100 -0.127 0.000 1.030 228 T CB 1.210 69.942 68.868 -0.227 0.000 0.912 228 T HN 0.119 nan 8.240 nan 0.000 0.483 229 V N 5.119 125.029 119.914 -0.007 0.000 2.483 229 V HA 0.623 4.743 4.120 -0.000 0.000 0.295 229 V C 0.255 176.381 176.094 0.053 0.000 1.035 229 V CA -0.741 61.573 62.300 0.024 0.000 0.896 229 V CB 1.746 33.565 31.823 -0.005 0.000 0.986 229 V HN 0.821 nan 8.190 nan 0.000 0.447 230 N N 1.274 120.006 118.700 0.053 0.000 3.449 230 N HA 0.762 5.502 4.740 -0.000 0.000 0.312 230 N C -0.572 174.703 175.510 -0.392 0.000 1.582 230 N CA 0.393 53.413 53.050 -0.050 0.000 0.850 230 N CB 2.301 40.925 38.487 0.229 0.000 1.822 230 N HN 0.963 nan 8.380 nan 0.000 0.577 231 G N -1.491 106.884 108.800 -0.708 0.000 2.316 231 G HA2 0.489 4.449 3.960 -0.000 0.000 0.296 231 G HA3 0.489 4.449 3.960 -0.000 0.000 0.296 231 G C -0.592 173.976 174.900 -0.553 0.000 1.399 231 G CA 0.271 44.735 45.100 -1.060 0.000 0.833 231 G HN 0.620 nan 8.290 nan 0.000 0.565 232 A N -0.639 122.010 122.820 -0.285 0.000 2.147 232 A HA 0.739 5.059 4.320 -0.000 0.000 0.211 232 A C 1.847 179.459 177.584 0.047 0.000 1.160 232 A CA 1.883 53.996 52.037 0.127 0.000 0.781 232 A CB -0.706 18.402 19.000 0.179 0.000 0.842 232 A HN 2.366 nan 8.150 nan 0.000 0.475 236 F N 0.595 120.638 119.950 0.155 0.000 2.735 236 F HA 0.637 5.164 4.527 -0.000 0.000 0.304 236 F C 1.365 177.104 175.800 -0.103 0.000 1.119 236 F CA -0.203 57.787 58.000 -0.018 0.000 1.280 236 F CB 0.677 39.553 39.000 -0.207 0.000 0.994 236 F HN 0.686 nan 8.300 nan 0.000 0.520 237 A N 0.726 123.699 122.820 0.255 0.000 2.640 237 A HA -0.275 4.045 4.320 -0.000 0.000 0.300 237 A C 0.688 178.373 177.584 0.168 0.000 1.499 237 A CA 1.113 53.309 52.037 0.265 0.000 0.759 237 A CB -2.128 17.105 19.000 0.388 0.000 1.048 237 A HN 0.494 nan 8.150 nan 0.000 0.450 238 M N 0.200 119.878 119.600 0.130 0.000 2.869 238 M HA 0.059 4.538 4.480 -0.000 0.000 0.353 238 M C 1.752 178.224 176.300 0.287 0.000 1.224 238 M CA 0.602 55.981 55.300 0.131 0.000 0.917 238 M CB 0.132 32.588 32.600 -0.239 0.000 1.322 238 M HN 0.755 nan 8.290 nan 0.000 0.516 239 T N -2.599 112.107 114.554 0.254 0.000 2.720 239 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 239 T C 1.838 176.669 174.700 0.218 0.000 1.037 239 T CA 1.839 64.063 62.100 0.207 0.000 1.144 239 T CB -0.635 68.343 68.868 0.183 0.000 0.864 239 T HN 0.572 nan 8.240 nan 0.000 0.444 240 G N -0.677 108.267 108.800 0.241 0.000 2.598 240 G HA2 0.047 4.007 3.960 -0.000 0.000 0.215 240 G HA3 0.047 4.007 3.960 -0.000 0.000 0.215 240 G C 0.973 175.922 174.900 0.081 0.000 1.131 240 G CA -0.031 45.138 45.100 0.115 0.000 0.785 240 G HN 0.617 nan 8.290 nan 0.000 0.539 241 W N -0.023 121.293 121.300 0.027 0.000 2.518 241 W HA 0.246 4.906 4.660 -0.000 0.000 0.273 241 W C 0.753 177.285 176.519 0.022 0.000 1.247 241 W CA -0.060 57.298 57.345 0.022 0.000 1.288 241 W CB 0.343 29.815 29.460 0.020 0.000 1.107 241 W HN -0.027 nan 8.180 nan 0.000 0.586 242 R N 0.069 120.715 120.500 0.244 0.000 3.201 242 R HA -0.168 4.172 4.340 -0.000 0.000 0.254 242 R C -1.030 175.345 176.300 0.125 0.000 0.978 242 R CA 0.573 56.757 56.100 0.140 0.000 0.661 242 R CB -3.107 27.248 30.300 0.092 0.000 1.170 242 R HN 0.125 nan 8.270 nan 0.000 0.430 243 I N 0.032 120.669 120.570 0.111 0.000 2.439 243 I HA 0.502 4.672 4.170 -0.000 0.000 0.283 243 I C 1.107 177.197 176.117 -0.045 0.000 1.023 243 I CA -0.373 60.974 61.300 0.078 0.000 1.100 243 I CB 1.811 39.881 38.000 0.118 0.000 1.238 243 I HN 0.319 nan 8.210 nan 0.000 0.445 244 G N 5.975 114.739 108.800 -0.060 0.000 2.600 244 G HA2 0.819 4.779 3.960 -0.000 0.000 0.303 244 G HA3 0.819 4.779 3.960 -0.000 0.000 0.303 244 G C -1.806 173.039 174.900 -0.091 0.000 1.253 244 G CA -0.404 44.554 45.100 -0.236 0.000 0.974 244 G HN 0.473 nan 8.290 nan 0.000 0.483 245 Y N -2.395 117.952 120.300 0.080 0.000 2.609 245 Y HA 0.814 5.364 4.550 -0.000 0.000 0.336 245 Y C -0.094 175.918 175.900 0.186 0.000 1.129 245 Y CA -1.429 56.745 58.100 0.125 0.000 1.040 245 Y CB 1.390 39.930 38.460 0.134 0.000 1.310 245 Y HN 0.947 nan 8.280 nan 0.000 0.460 246 A N 0.473 123.505 122.820 0.353 0.000 2.594 246 A HA 0.913 5.233 4.320 -0.000 0.000 0.291 246 A C -1.087 176.485 177.584 -0.020 0.000 1.105 246 A CA -0.374 51.747 52.037 0.140 0.000 0.694 246 A CB 1.082 20.096 19.000 0.023 0.000 1.291 246 A HN 1.708 nan 8.150 nan 0.000 0.410 247 C N -0.899 118.211 119.300 -0.315 0.000 3.090 247 C HA 1.086 5.546 4.460 -0.000 0.000 0.305 247 C C 0.327 175.147 174.990 -0.283 0.000 1.292 247 C CA 0.196 58.991 59.018 -0.372 0.000 1.482 247 C CB 1.099 28.392 27.740 -0.745 0.000 1.897 247 C HN 2.693 nan 8.230 nan 0.000 0.469 248 G N 0.757 109.441 108.800 -0.194 0.000 2.344 248 G HA2 0.554 4.513 3.960 -0.000 0.000 0.282 248 G HA3 0.554 4.513 3.960 -0.000 0.000 0.282 248 G C -3.574 171.272 174.900 -0.090 0.000 1.281 248 G CA -0.711 44.307 45.100 -0.137 0.000 0.877 248 G HN 0.600 nan 8.290 nan 0.000 0.494 249 P HA 0.149 nan 4.420 nan 0.000 0.262 249 P C 0.769 178.044 177.300 -0.042 0.000 1.182 249 P CA 0.235 63.316 63.100 -0.033 0.000 0.761 249 P CB 0.942 32.645 31.700 0.005 0.000 0.795 250 K N 3.518 123.900 120.400 -0.031 0.000 2.059 250 K HA -0.285 4.035 4.320 -0.000 0.000 0.212 250 K C 1.768 178.353 176.600 -0.025 0.000 1.050 250 K CA 1.939 58.210 56.287 -0.027 0.000 0.927 250 K CB -0.153 32.336 32.500 -0.018 0.000 0.714 250 K HN 0.496 nan 8.250 nan 0.000 0.447 251 E N -0.129 120.061 120.200 -0.017 0.000 2.118 251 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 251 E C 1.767 178.350 176.600 -0.028 0.000 0.992 251 E CA 1.513 57.905 56.400 -0.012 0.000 0.804 251 E CB 0.139 29.842 29.700 0.004 0.000 0.741 251 E HN 0.185 nan 8.360 nan 0.000 0.458 252 V N 1.434 121.316 119.914 -0.052 0.000 2.379 252 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 252 V C 2.421 178.458 176.094 -0.094 0.000 1.044 252 V CA 1.058 63.294 62.300 -0.106 0.000 1.036 252 V CB -0.353 31.347 31.823 -0.206 0.000 0.664 252 V HN 0.364 nan 8.190 nan 0.000 0.453 253 I N 0.610 121.134 120.570 -0.077 0.000 2.286 253 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 253 I C 2.490 178.585 176.117 -0.036 0.000 1.115 253 I CA 1.807 63.072 61.300 -0.058 0.000 1.392 253 I CB -1.071 36.900 38.000 -0.048 0.000 1.065 253 I HN 0.444 nan 8.210 nan 0.000 0.418 254 K N 1.654 122.036 120.400 -0.030 0.000 2.025 254 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 254 K C 2.181 178.771 176.600 -0.017 0.000 1.049 254 K CA 1.655 57.931 56.287 -0.018 0.000 0.933 254 K CB -0.018 32.473 32.500 -0.015 0.000 0.714 254 K HN 0.182 nan 8.250 nan 0.000 0.438 255 A N 1.464 124.269 122.820 -0.025 0.000 1.933 255 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 255 A C 2.189 179.760 177.584 -0.020 0.000 1.175 255 A CA 1.682 53.706 52.037 -0.022 0.000 0.628 255 A CB -0.475 18.507 19.000 -0.029 0.000 0.814 255 A HN 0.399 nan 8.150 nan 0.000 0.444 256 M N -0.557 119.023 119.600 -0.033 0.000 2.159 256 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 256 M C 2.438 178.742 176.300 0.007 0.000 1.063 256 M CA 1.418 56.705 55.300 -0.021 0.000 1.110 256 M CB -0.327 32.249 32.600 -0.040 0.000 1.374 256 M HN 0.483 nan 8.290 nan 0.000 0.411 257 A N -0.767 122.054 122.820 0.003 0.000 1.969 257 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 257 A C 2.241 179.832 177.584 0.012 0.000 1.169 257 A CA 1.792 53.835 52.037 0.011 0.000 0.635 257 A CB -0.588 18.415 19.000 0.004 0.000 0.810 257 A HN 0.421 nan 8.150 nan 0.000 0.445 258 S N -0.387 115.318 115.700 0.008 0.000 2.383 258 S HA -0.102 4.368 4.470 -0.000 0.000 0.227 258 S C 1.859 176.473 174.600 0.024 0.000 1.026 258 S CA 1.355 59.561 58.200 0.010 0.000 0.981 258 S CB -0.315 62.889 63.200 0.006 0.000 0.818 258 S HN 0.365 nan 8.310 nan 0.000 0.472 259 V N 1.554 121.488 119.914 0.034 0.000 2.358 259 V HA -0.126 3.994 4.120 -0.000 0.000 0.246 259 V C 2.381 178.521 176.094 0.078 0.000 1.047 259 V CA 1.728 64.066 62.300 0.065 0.000 1.035 259 V CB -0.914 30.957 31.823 0.079 0.000 0.658 259 V HN 0.409 nan 8.190 nan 0.000 0.452 260 S N 0.837 116.576 115.700 0.064 0.000 2.382 260 S HA -0.211 4.259 4.470 -0.000 0.000 0.228 260 S C 2.277 176.897 174.600 0.034 0.000 1.027 260 S CA 1.729 59.962 58.200 0.057 0.000 0.991 260 S CB -0.424 62.804 63.200 0.046 0.000 0.823 260 S HN 0.828 nan 8.310 nan 0.000 0.469 261 S N 1.764 117.476 115.700 0.019 0.000 2.382 261 S HA -0.167 4.303 4.470 -0.000 0.000 0.228 261 S C 1.627 176.226 174.600 -0.001 0.000 1.027 261 S CA 1.033 59.230 58.200 -0.004 0.000 0.991 261 S CB -0.489 62.703 63.200 -0.012 0.000 0.823 261 S HN 0.591 nan 8.310 nan 0.000 0.469 262 Q N 0.766 120.578 119.800 0.021 0.000 2.403 262 Q HA 0.144 4.484 4.340 -0.000 0.000 0.203 262 Q C 1.966 177.991 176.000 0.042 0.000 0.932 262 Q CA 0.872 56.692 55.803 0.028 0.000 0.945 262 Q CB 0.197 28.959 28.738 0.040 0.000 1.045 262 Q HN 0.885 nan 8.270 nan 0.000 0.511 263 S N -1.375 114.353 115.700 0.048 0.000 3.148 263 S HA -0.005 4.465 4.470 -0.000 0.000 0.246 263 S C 1.850 176.469 174.600 0.031 0.000 1.041 263 S CA 0.527 58.758 58.200 0.051 0.000 0.813 263 S CB -0.081 63.168 63.200 0.081 0.000 0.813 263 S HN 0.245 nan 8.310 nan 0.000 0.546 264 T N -2.137 112.436 114.554 0.031 0.000 3.003 264 T HA 0.376 4.726 4.350 -0.000 0.000 0.261 264 T C 0.985 175.707 174.700 0.038 0.000 1.003 264 T CA 0.871 62.989 62.100 0.031 0.000 0.917 264 T CB 0.127 69.011 68.868 0.028 0.000 1.084 264 T HN 0.381 nan 8.240 nan 0.000 0.522 265 T N 0.706 115.269 114.554 0.015 0.000 13.540 265 T HA -0.224 4.126 4.350 -0.000 0.000 0.419 265 T C 0.203 174.911 174.700 0.014 0.000 1.443 265 T CA 1.537 63.626 62.100 -0.019 0.000 2.355 265 T CB -1.780 67.052 68.868 -0.060 0.000 2.789 265 T HN 0.898 nan 8.240 nan 0.000 0.530 266 S N 1.267 117.002 115.700 0.058 0.000 2.565 266 S HA 0.577 5.047 4.470 -0.000 0.000 0.274 266 S C -3.120 171.532 174.600 0.086 0.000 1.144 266 S CA -1.079 57.162 58.200 0.069 0.000 0.849 266 S CB 1.830 65.078 63.200 0.079 0.000 1.103 266 S HN 0.230 nan 8.310 nan 0.000 0.455 267 P HA 0.147 nan 4.420 nan 0.000 0.270 267 P C -0.935 176.421 177.300 0.094 0.000 1.223 267 P CA -0.230 62.918 63.100 0.080 0.000 0.785 267 P CB 0.282 32.029 31.700 0.078 0.000 0.923 268 D N 0.736 121.192 120.400 0.095 0.000 2.658 268 D HA -0.084 4.556 4.640 -0.000 0.000 0.230 268 D C 0.638 177.013 176.300 0.125 0.000 1.118 268 D CA 0.844 54.904 54.000 0.099 0.000 0.848 268 D CB 0.530 41.381 40.800 0.085 0.000 1.160 268 D HN 0.247 nan 8.370 nan 0.000 0.497 269 T N 4.500 119.137 114.554 0.138 0.000 2.788 269 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 269 T C 1.961 176.841 174.700 0.300 0.000 1.044 269 T CA 0.915 63.134 62.100 0.199 0.000 1.139 269 T CB -0.003 68.996 68.868 0.219 0.000 0.867 269 T HN 0.456 nan 8.240 nan 0.000 0.454 270 I N 1.604 122.321 120.570 0.245 0.000 2.315 270 I HA -0.086 4.084 4.170 -0.000 0.000 0.248 270 I C 2.729 179.044 176.117 0.330 0.000 1.117 270 I CA 1.035 62.500 61.300 0.275 0.000 1.404 270 I CB -0.545 37.553 38.000 0.163 0.000 1.071 270 I HN 0.158 nan 8.210 nan 0.000 0.419 271 A N -0.246 122.758 122.820 0.306 0.000 1.930 271 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 271 A C 2.283 179.985 177.584 0.196 0.000 1.175 271 A CA 1.403 53.681 52.037 0.401 0.000 0.627 271 A CB -0.537 18.696 19.000 0.388 0.000 0.815 271 A HN 0.488 nan 8.150 nan 0.000 0.443 272 Q N -1.533 118.331 119.800 0.107 0.000 2.050 272 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 272 Q C 1.977 177.878 176.000 -0.165 0.000 0.980 272 Q CA 1.706 57.469 55.803 -0.066 0.000 0.840 272 Q CB -0.263 28.379 28.738 -0.160 0.000 0.898 272 Q HN 0.889 nan 8.270 nan 0.000 0.424 273 W N 0.548 121.867 121.300 0.031 0.000 2.363 273 W HA -0.143 4.517 4.660 0.000 0.000 0.296 273 W C 2.504 179.002 176.519 -0.035 0.000 1.212 273 W CA 1.029 58.375 57.345 0.001 0.000 1.260 273 W CB -0.253 29.216 29.460 0.016 0.000 1.131 273 W HN 0.167 nan 8.180 nan 0.000 0.530 274 A N -0.481 122.442 122.820 0.171 0.000 1.930 274 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 274 A C 1.857 179.315 177.584 -0.210 0.000 1.175 274 A CA 2.180 54.203 52.037 -0.023 0.000 0.627 274 A CB -1.150 17.823 19.000 -0.044 0.000 0.815 274 A HN 0.223 nan 8.150 nan 0.000 0.443 275 T N 0.035 114.481 114.554 -0.181 0.000 2.904 275 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 275 T C 1.797 176.363 174.700 -0.224 0.000 1.059 275 T CA 1.270 63.235 62.100 -0.225 0.000 1.137 275 T CB -0.314 68.499 68.868 -0.091 0.000 0.879 275 T HN 0.338 nan 8.240 nan 0.000 0.467 276 L N 1.822 122.936 121.223 -0.182 0.000 2.042 276 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 276 L C 2.362 179.150 176.870 -0.136 0.000 1.076 276 L CA 1.946 56.680 54.840 -0.177 0.000 0.749 276 L CB -0.556 41.400 42.059 -0.171 0.000 0.893 276 L HN 0.146 nan 8.230 nan 0.000 0.432 277 E N -0.265 119.871 120.200 -0.107 0.000 2.150 277 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 277 E C 2.050 178.563 176.600 -0.146 0.000 0.985 277 E CA 1.268 57.618 56.400 -0.084 0.000 0.814 277 E CB -0.278 29.387 29.700 -0.057 0.000 0.752 277 E HN 0.560 nan 8.360 nan 0.000 0.466 278 A N 0.286 122.909 122.820 -0.328 0.000 1.933 278 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 278 A C 2.175 179.511 177.584 -0.415 0.000 1.175 278 A CA 1.307 53.026 52.037 -0.530 0.000 0.628 278 A CB -0.481 17.978 19.000 -0.902 0.000 0.814 278 A HN 0.351 nan 8.150 nan 0.000 0.444 279 L N -0.604 120.439 121.223 -0.299 0.000 2.249 279 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 279 L C 2.897 179.679 176.870 -0.146 0.000 1.090 279 L CA 1.540 56.248 54.840 -0.219 0.000 0.802 279 L CB -0.593 41.317 42.059 -0.249 0.000 0.947 279 L HN 0.619 nan 8.230 nan 0.000 0.453 280 T N -3.696 110.786 114.554 -0.120 0.000 2.937 280 T HA -0.069 4.281 4.350 -0.000 0.000 0.260 280 T C 1.211 175.873 174.700 -0.063 0.000 1.051 280 T CA 0.317 62.370 62.100 -0.077 0.000 1.141 280 T CB -0.291 68.546 68.868 -0.052 0.000 0.879 280 T HN 0.032 nan 8.240 nan 0.000 0.459 281 N N 1.926 120.591 118.700 -0.059 0.000 2.868 281 N HA 0.180 4.920 4.740 -0.000 0.000 0.252 281 N C 0.918 176.361 175.510 -0.111 0.000 1.130 281 N CA -0.131 52.874 53.050 -0.075 0.000 1.026 281 N CB 0.537 38.988 38.487 -0.060 0.000 1.335 281 N HN 0.510 nan 8.380 nan 0.000 0.516 282 Q N 0.592 120.341 119.800 -0.085 0.000 2.170 282 Q HA -0.173 4.167 4.340 -0.000 0.000 0.203 282 Q C 1.304 177.256 176.000 -0.080 0.000 0.976 282 Q CA 1.231 56.992 55.803 -0.069 0.000 0.858 282 Q CB 0.182 28.893 28.738 -0.045 0.000 0.907 282 Q HN 0.676 nan 8.270 nan 0.000 0.433 283 E N 0.423 120.565 120.200 -0.098 0.000 2.031 283 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 283 E C 1.891 178.401 176.600 -0.150 0.000 0.994 283 E CA 1.070 57.409 56.400 -0.101 0.000 0.800 283 E CB -0.066 29.580 29.700 -0.091 0.000 0.752 283 E HN 0.344 nan 8.360 nan 0.000 0.447 284 A N 0.295 122.947 122.820 -0.280 0.000 1.930 284 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 284 A C 2.346 179.714 177.584 -0.361 0.000 1.175 284 A CA 1.616 53.372 52.037 -0.469 0.000 0.627 284 A CB -0.417 18.004 19.000 -0.965 0.000 0.815 284 A HN 0.262 nan 8.150 nan 0.000 0.443 285 S N -0.882 114.671 115.700 -0.244 0.000 2.368 285 S HA -0.121 4.349 4.470 -0.000 0.000 0.224 285 S C 2.098 176.791 174.600 0.155 0.000 1.029 285 S CA 1.120 59.379 58.200 0.098 0.000 0.988 285 S CB -0.314 62.913 63.200 0.045 0.000 0.838 285 S HN 0.622 nan 8.310 nan 0.000 0.462 286 R N 1.173 121.690 120.500 0.027 0.000 2.081 286 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 286 R C 2.388 178.686 176.300 -0.004 0.000 1.131 286 R CA 1.362 57.461 56.100 -0.001 0.000 0.960 286 R CB -0.481 29.804 30.300 -0.025 0.000 0.856 286 R HN 0.396 nan 8.270 nan 0.000 0.436 287 A N 0.382 123.197 122.820 -0.008 0.000 1.902 287 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 287 A C 1.961 179.542 177.584 -0.005 0.000 1.181 287 A CA 1.334 53.360 52.037 -0.018 0.000 0.623 287 A CB -0.747 18.238 19.000 -0.026 0.000 0.818 287 A HN 0.503 nan 8.150 nan 0.000 0.443 288 F N 0.485 120.402 119.950 -0.056 0.000 2.113 288 F HA -0.120 4.407 4.527 -0.000 0.000 0.297 288 F C 2.283 178.008 175.800 -0.124 0.000 1.103 288 F CA 1.878 59.837 58.000 -0.069 0.000 1.248 288 F CB -0.353 38.680 39.000 0.055 0.000 0.999 288 F HN 0.019 nan 8.300 nan 0.000 0.475 289 V N 0.664 120.551 119.914 -0.046 0.000 2.332 289 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 289 V C 2.354 178.321 176.094 -0.211 0.000 1.055 289 V CA 2.140 64.341 62.300 -0.166 0.000 1.038 289 V CB -0.608 31.143 31.823 -0.120 0.000 0.651 289 V HN 0.315 nan 8.190 nan 0.000 0.450 290 E N -0.636 119.470 120.200 -0.157 0.000 2.152 290 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 290 E C 2.031 178.514 176.600 -0.195 0.000 0.983 290 E CA 1.241 57.566 56.400 -0.125 0.000 0.818 290 E CB -0.408 29.248 29.700 -0.073 0.000 0.758 290 E HN 0.632 nan 8.360 nan 0.000 0.467 291 M N 0.537 119.955 119.600 -0.304 0.000 2.099 291 M HA -0.106 4.374 4.480 -0.000 0.000 0.262 291 M C 2.148 178.117 176.300 -0.551 0.000 1.067 291 M CA 1.860 56.934 55.300 -0.377 0.000 1.124 291 M CB -0.044 32.292 32.600 -0.440 0.000 1.353 291 M HN 0.068 nan 8.290 nan 0.000 0.410 292 A N 0.741 123.050 122.820 -0.851 0.000 1.898 292 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 292 A C 2.252 179.467 177.584 -0.615 0.000 1.181 292 A CA 1.816 53.225 52.037 -1.046 0.000 0.620 292 A CB -0.829 17.501 19.000 -1.116 0.000 0.819 292 A HN 0.668 nan 8.150 nan 0.000 0.442 293 R N 0.051 120.417 120.500 -0.223 0.000 2.081 293 R HA -0.190 4.150 4.340 -0.000 0.000 0.235 293 R C 2.146 178.535 176.300 0.148 0.000 1.131 293 R CA 1.890 58.076 56.100 0.143 0.000 0.960 293 R CB -0.310 30.066 30.300 0.128 0.000 0.856 293 R HN 0.711 nan 8.270 nan 0.000 0.436 294 E N -0.012 120.184 120.200 -0.007 0.000 2.072 294 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 294 E C 1.780 178.374 176.600 -0.010 0.000 0.985 294 E CA 1.231 57.632 56.400 0.002 0.000 0.801 294 E CB -0.141 29.537 29.700 -0.036 0.000 0.750 294 E HN 0.452 nan 8.360 nan 0.000 0.452 295 A N 0.239 123.022 122.820 -0.062 0.000 1.877 295 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 295 A C 1.928 179.561 177.584 0.081 0.000 1.186 295 A CA 1.431 53.465 52.037 -0.004 0.000 0.620 295 A CB -0.944 18.094 19.000 0.064 0.000 0.822 295 A HN 0.428 nan 8.150 nan 0.000 0.443 296 Y N -0.230 120.175 120.300 0.176 0.000 2.224 296 Y HA -0.148 4.402 4.550 -0.000 0.000 0.289 296 Y C 2.505 178.361 175.900 -0.073 0.000 1.146 296 Y CA 1.164 59.394 58.100 0.217 0.000 1.182 296 Y CB -0.726 37.978 38.460 0.406 0.000 0.983 296 Y HN 0.338 nan 8.280 nan 0.000 0.524 297 R N 0.694 121.145 120.500 -0.082 0.000 2.073 297 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 297 R C 2.276 178.449 176.300 -0.212 0.000 1.134 297 R CA 1.589 57.473 56.100 -0.360 0.000 0.952 297 R CB -0.116 30.091 30.300 -0.155 0.000 0.850 297 R HN 0.277 nan 8.270 nan 0.000 0.433 298 R N -0.097 120.347 120.500 -0.094 0.000 2.083 298 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 298 R C 2.532 178.767 176.300 -0.109 0.000 1.137 298 R CA 1.942 57.995 56.100 -0.079 0.000 0.951 298 R CB -0.289 29.990 30.300 -0.035 0.000 0.851 298 R HN 0.254 nan 8.270 nan 0.000 0.434 299 R N 0.081 120.533 120.500 -0.080 0.000 2.081 299 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 299 R C 2.448 178.526 176.300 -0.369 0.000 1.131 299 R CA 1.323 57.360 56.100 -0.105 0.000 0.960 299 R CB -0.304 30.056 30.300 0.101 0.000 0.856 299 R HN 0.186 nan 8.270 nan 0.000 0.436 300 R N 0.977 121.080 120.500 -0.662 0.000 2.073 300 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 300 R C 1.196 177.229 176.300 -0.446 0.000 1.134 300 R CA 2.084 57.607 56.100 -0.962 0.000 0.952 300 R CB -0.170 29.584 30.300 -0.910 0.000 0.850 300 R HN 0.154 nan 8.270 nan 0.000 0.433 301 D N 0.978 121.201 120.400 -0.295 0.000 2.117 301 D HA -0.201 4.439 4.640 -0.000 0.000 0.197 301 D C 1.924 178.144 176.300 -0.133 0.000 0.987 301 D CA 1.011 54.908 54.000 -0.171 0.000 0.829 301 D CB -0.337 40.390 40.800 -0.123 0.000 0.961 301 D HN 0.268 nan 8.370 nan 0.000 0.460 302 L N 0.391 121.533 121.223 -0.135 0.000 1.989 302 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 302 L C 2.372 179.187 176.870 -0.091 0.000 1.071 302 L CA 1.141 55.924 54.840 -0.096 0.000 0.749 302 L CB -0.242 41.764 42.059 -0.088 0.000 0.890 302 L HN 0.069 nan 8.230 nan 0.000 0.431 303 L N -0.324 120.824 121.223 -0.126 0.000 1.989 303 L HA -0.283 4.057 4.340 -0.000 0.000 0.211 303 L C 2.614 179.455 176.870 -0.048 0.000 1.071 303 L CA 1.754 56.543 54.840 -0.086 0.000 0.749 303 L CB -0.311 41.678 42.059 -0.117 0.000 0.890 303 L HN 0.387 nan 8.230 nan 0.000 0.431 304 L N -0.501 120.674 121.223 -0.080 0.000 2.042 304 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 304 L C 2.450 179.311 176.870 -0.016 0.000 1.076 304 L CA 1.442 56.261 54.840 -0.036 0.000 0.749 304 L CB -0.539 41.489 42.059 -0.052 0.000 0.893 304 L HN 0.339 nan 8.230 nan 0.000 0.432 305 E N 0.023 120.206 120.200 -0.030 0.000 2.058 305 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 305 E C 2.200 178.800 176.600 -0.001 0.000 0.997 305 E CA 1.174 57.564 56.400 -0.016 0.000 0.801 305 E CB -0.315 29.370 29.700 -0.025 0.000 0.746 305 E HN 0.541 nan 8.360 nan 0.000 0.450 306 G N 1.031 109.830 108.800 -0.001 0.000 2.446 306 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 306 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 306 G C 1.552 176.483 174.900 0.051 0.000 1.168 306 G CA 0.617 45.728 45.100 0.018 0.000 0.771 306 G HN 0.095 nan 8.290 nan 0.000 0.551 307 L N 0.387 121.650 121.223 0.067 0.000 2.012 307 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 307 L C 3.225 180.128 176.870 0.055 0.000 1.073 307 L CA 1.788 56.681 54.840 0.089 0.000 0.748 307 L CB -1.058 41.055 42.059 0.089 0.000 0.891 307 L HN 0.200 nan 8.230 nan 0.000 0.431 308 T N 0.031 114.607 114.554 0.036 0.000 2.720 308 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 308 T C 1.968 176.681 174.700 0.022 0.000 1.037 308 T CA 1.403 63.517 62.100 0.024 0.000 1.144 308 T CB -0.288 68.589 68.868 0.015 0.000 0.864 308 T HN 0.472 nan 8.240 nan 0.000 0.444 309 A N 0.954 123.788 122.820 0.023 0.000 1.972 309 A HA 0.062 4.382 4.320 -0.000 0.000 0.219 309 A C 2.167 179.766 177.584 0.026 0.000 1.169 309 A CA 1.095 53.144 52.037 0.020 0.000 0.635 309 A CB -0.666 18.345 19.000 0.018 0.000 0.810 309 A HN 0.512 nan 8.150 nan 0.000 0.446 310 L N -1.722 119.524 121.223 0.038 0.000 2.558 310 L HA 0.177 4.517 4.340 -0.000 0.000 0.225 310 L C 1.804 178.689 176.870 0.025 0.000 1.128 310 L CA 0.578 55.442 54.840 0.040 0.000 0.868 310 L CB -0.117 41.984 42.059 0.069 0.000 1.006 310 L HN 0.589 nan 8.230 nan 0.000 0.454 311 G N 0.341 109.153 108.800 0.021 0.000 2.176 311 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.253 311 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.253 311 G C 0.252 175.156 174.900 0.006 0.000 0.979 311 G CA -0.261 44.845 45.100 0.011 0.000 0.641 311 G HN 0.193 nan 8.290 nan 0.000 0.530 312 L N 0.995 122.224 121.223 0.010 0.000 2.416 312 L HA 0.338 4.678 4.340 -0.000 0.000 0.272 312 L C 0.990 177.868 176.870 0.014 0.000 1.161 312 L CA 0.040 54.878 54.840 -0.002 0.000 0.845 312 L CB 0.682 42.737 42.059 -0.006 0.000 1.119 312 L HN 0.028 nan 8.230 nan 0.000 0.464 313 K N 2.728 123.134 120.400 0.009 0.000 2.143 313 K HA 0.773 5.092 4.320 -0.000 0.000 0.272 313 K C -0.703 175.942 176.600 0.074 0.000 1.001 313 K CA -0.502 55.805 56.287 0.034 0.000 0.915 313 K CB 1.781 34.297 32.500 0.026 0.000 1.047 313 K HN 0.684 nan 8.250 nan 0.000 0.458 314 A N 2.002 124.878 122.820 0.093 0.000 2.532 314 A HA 0.286 4.606 4.320 -0.000 0.000 0.296 314 A C -1.024 176.634 177.584 0.124 0.000 1.058 314 A CA -0.742 51.378 52.037 0.139 0.000 0.729 314 A CB 1.042 20.116 19.000 0.123 0.000 1.285 314 A HN 0.378 nan 8.150 nan 0.000 0.396 315 V N 2.925 122.939 119.914 0.166 0.000 2.572 315 V HA 0.198 4.318 4.120 -0.000 0.000 0.291 315 V C 1.187 177.364 176.094 0.138 0.000 1.039 315 V CA -0.055 62.320 62.300 0.125 0.000 1.055 315 V CB 0.944 32.850 31.823 0.138 0.000 0.969 315 V HN 0.895 nan 8.190 nan 0.000 0.482 316 R N 7.657 128.215 120.500 0.097 0.000 2.458 316 R HA 0.138 4.478 4.340 -0.000 0.000 0.303 316 R C -2.177 174.200 176.300 0.128 0.000 1.013 316 R CA -0.941 55.214 56.100 0.092 0.000 1.026 316 R CB 0.466 30.804 30.300 0.064 0.000 0.948 316 R HN 0.540 nan 8.270 nan 0.000 0.417 317 P HA 0.105 nan 4.420 nan 0.000 0.282 317 P C -0.696 176.735 177.300 0.218 0.000 1.249 317 P CA -0.360 62.850 63.100 0.184 0.000 0.806 317 P CB 1.868 33.702 31.700 0.224 0.000 0.984 318 S N 0.323 116.138 115.700 0.190 0.000 2.524 318 S HA 0.362 4.832 4.470 -0.000 0.000 0.215 318 S C 0.769 175.438 174.600 0.115 0.000 0.986 318 S CA 0.187 58.507 58.200 0.200 0.000 0.911 318 S CB 0.197 63.471 63.200 0.124 0.000 0.805 318 S HN 0.828 nan 8.310 nan 0.000 0.501 319 G N -0.359 108.470 108.800 0.047 0.000 2.649 319 G HA2 0.676 4.636 3.960 -0.000 0.000 0.290 319 G HA3 0.676 4.636 3.960 -0.000 0.000 0.290 319 G C -0.457 174.321 174.900 -0.204 0.000 1.426 319 G CA 0.049 45.027 45.100 -0.203 0.000 0.794 319 G HN 0.696 nan 8.290 nan 0.000 0.483 320 A N -1.179 121.392 122.820 -0.415 0.000 6.088 320 A HA 0.223 4.543 4.320 -0.000 0.000 0.261 320 A C 0.220 177.371 177.584 -0.722 0.000 2.138 320 A CA 1.698 53.212 52.037 -0.872 0.000 0.708 320 A CB -1.473 16.743 19.000 -1.306 0.000 1.068 320 A HN 2.387 nan 8.150 nan 0.000 0.364 321 F N -3.243 116.056 119.950 -1.086 0.000 2.677 321 F HA 0.727 5.254 4.527 -0.000 0.000 0.388 321 F C -0.520 174.313 175.800 -1.612 0.000 1.400 321 F CA -0.963 56.082 58.000 -1.592 0.000 1.162 321 F CB -0.544 37.484 39.000 -1.620 0.000 1.135 321 F HN 0.508 nan 8.300 nan 0.000 0.516 322 Y N -0.453 119.616 120.300 -0.385 0.000 2.570 322 Y HA 0.794 5.344 4.550 -0.000 0.000 0.345 322 Y C -0.500 175.450 175.900 0.083 0.000 1.014 322 Y CA -2.149 55.874 58.100 -0.128 0.000 1.063 322 Y CB 2.295 40.610 38.460 -0.241 0.000 1.272 322 Y HN -0.107 nan 8.280 nan 0.000 0.477 323 V N 3.272 123.357 119.914 0.285 0.000 2.686 323 V HA 0.342 4.462 4.120 -0.000 0.000 0.306 323 V C -0.812 175.358 176.094 0.127 0.000 1.065 323 V CA -0.946 61.484 62.300 0.216 0.000 0.894 323 V CB 2.246 34.211 31.823 0.237 0.000 1.004 323 V HN 0.598 nan 8.190 nan 0.000 0.424 324 L N 5.203 126.481 121.223 0.092 0.000 2.257 324 L HA 0.545 4.884 4.340 -0.000 0.000 0.290 324 L C -0.119 176.887 176.870 0.227 0.000 1.044 324 L CA -0.019 54.865 54.840 0.074 0.000 0.810 324 L CB 1.179 43.192 42.059 -0.076 0.000 1.193 324 L HN 0.655 nan 8.230 nan 0.000 0.425 325 M N 4.144 123.856 119.600 0.187 0.000 2.180 325 M HA 0.226 4.706 4.480 -0.000 0.000 0.350 325 M C -0.407 175.916 176.300 0.040 0.000 1.125 325 M CA -0.611 54.770 55.300 0.136 0.000 1.031 325 M CB 1.295 33.931 32.600 0.060 0.000 1.623 325 M HN 0.397 nan 8.290 nan 0.000 0.451 326 D N 3.083 123.447 120.400 -0.060 0.000 2.458 326 D HA 0.021 4.661 4.640 -0.000 0.000 0.243 326 D C 0.598 176.767 176.300 -0.219 0.000 1.146 326 D CA 0.401 54.179 54.000 -0.370 0.000 0.877 326 D CB 1.181 41.837 40.800 -0.240 0.000 1.176 326 D HN 0.764 nan 8.370 nan 0.000 0.461 327 T N -0.369 114.048 114.554 -0.228 0.000 3.105 327 T HA 0.071 4.421 4.350 -0.000 0.000 0.253 327 T C 1.745 176.380 174.700 -0.108 0.000 1.047 327 T CA -0.230 61.785 62.100 -0.143 0.000 0.944 327 T CB 0.126 68.932 68.868 -0.104 0.000 1.016 327 T HN 0.167 nan 8.240 nan 0.000 0.544 328 S N 3.337 118.971 115.700 -0.111 0.000 2.368 328 S HA -0.069 4.401 4.470 -0.000 0.000 0.226 328 S C -0.162 174.405 174.600 -0.056 0.000 1.044 328 S CA 1.721 59.878 58.200 -0.071 0.000 1.062 328 S CB -1.169 61.993 63.200 -0.064 0.000 0.931 328 S HN 0.603 nan 8.310 nan 0.000 0.440 329 P HA 0.108 nan 4.420 nan 0.000 0.242 329 P C 0.809 178.078 177.300 -0.052 0.000 1.197 329 P CA 0.796 63.867 63.100 -0.048 0.000 0.765 329 P CB -0.136 31.536 31.700 -0.046 0.000 0.936 330 I N -1.331 119.199 120.570 -0.066 0.000 3.039 330 I HA 0.264 4.434 4.170 -0.000 0.000 0.270 330 I C 1.114 177.205 176.117 -0.044 0.000 1.150 330 I CA 0.175 61.436 61.300 -0.065 0.000 1.448 330 I CB 0.203 38.143 38.000 -0.101 0.000 1.197 330 I HN -0.115 nan 8.210 nan 0.000 0.450 331 A N 0.459 123.255 122.820 -0.040 0.000 2.601 331 A HA 0.482 4.802 4.320 -0.000 0.000 0.291 331 A C -2.258 175.314 177.584 -0.020 0.000 1.075 331 A CA -0.658 51.365 52.037 -0.024 0.000 0.671 331 A CB 0.253 19.242 19.000 -0.017 0.000 1.277 331 A HN -0.120 nan 8.150 nan 0.000 0.417 332 P HA 0.024 nan 4.420 nan 0.000 0.230 332 P C -0.213 177.090 177.300 0.005 0.000 1.158 332 P CA 1.754 64.850 63.100 -0.005 0.000 0.769 332 P CB -0.233 31.465 31.700 -0.004 0.000 0.807 333 D N -3.191 117.216 120.400 0.011 0.000 2.622 333 D HA 0.135 4.775 4.640 -0.000 0.000 0.255 333 D C 0.447 176.770 176.300 0.038 0.000 1.246 333 D CA -0.781 53.241 54.000 0.037 0.000 0.795 333 D CB 0.603 41.431 40.800 0.046 0.000 1.369 333 D HN -0.396 nan 8.370 nan 0.000 0.425 334 E N 0.094 120.336 120.200 0.070 0.000 2.070 334 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 334 E C 1.927 178.559 176.600 0.054 0.000 1.004 334 E CA 1.682 58.120 56.400 0.064 0.000 0.805 334 E CB -0.504 29.259 29.700 0.104 0.000 0.744 334 E HN 0.381 nan 8.360 nan 0.000 0.451 335 V N 1.004 120.956 119.914 0.064 0.000 2.307 335 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 335 V C 2.268 178.382 176.094 0.034 0.000 1.045 335 V CA 2.023 64.353 62.300 0.052 0.000 1.024 335 V CB -0.566 31.290 31.823 0.055 0.000 0.651 335 V HN 0.173 nan 8.190 nan 0.000 0.449 336 R N 0.322 120.838 120.500 0.027 0.000 2.091 336 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 336 R C 2.489 178.794 176.300 0.008 0.000 1.136 336 R CA 1.529 57.639 56.100 0.015 0.000 0.959 336 R CB -0.681 29.625 30.300 0.010 0.000 0.856 336 R HN 0.545 nan 8.270 nan 0.000 0.437 337 A N 1.384 124.206 122.820 0.002 0.000 1.883 337 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 337 A C 2.413 179.990 177.584 -0.012 0.000 1.186 337 A CA 1.794 53.820 52.037 -0.018 0.000 0.624 337 A CB -0.724 18.257 19.000 -0.032 0.000 0.822 337 A HN 0.409 nan 8.150 nan 0.000 0.444 338 A N -0.318 122.508 122.820 0.010 0.000 1.908 338 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 338 A C 1.919 179.521 177.584 0.030 0.000 1.181 338 A CA 1.855 53.907 52.037 0.026 0.000 0.627 338 A CB -0.563 18.463 19.000 0.042 0.000 0.818 338 A HN 0.650 nan 8.150 nan 0.000 0.445 339 E N -0.785 119.430 120.200 0.025 0.000 2.072 339 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 339 E C 2.371 178.985 176.600 0.023 0.000 0.985 339 E CA 0.942 57.357 56.400 0.025 0.000 0.801 339 E CB -0.137 29.576 29.700 0.021 0.000 0.750 339 E HN 0.495 nan 8.360 nan 0.000 0.452 340 R N 0.359 120.867 120.500 0.015 0.000 2.081 340 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 340 R C 2.419 178.734 176.300 0.025 0.000 1.131 340 R CA 0.938 57.046 56.100 0.013 0.000 0.960 340 R CB -0.269 30.031 30.300 -0.001 0.000 0.856 340 R HN 0.207 nan 8.270 nan 0.000 0.436 341 L N 0.617 121.855 121.223 0.024 0.000 2.131 341 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 341 L C 2.425 179.347 176.870 0.087 0.000 1.092 341 L CA 0.965 55.842 54.840 0.062 0.000 0.759 341 L CB -0.371 41.719 42.059 0.051 0.000 0.903 341 L HN 0.261 nan 8.230 nan 0.000 0.435 342 L N -0.440 120.821 121.223 0.063 0.000 2.017 342 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 342 L C 2.703 179.604 176.870 0.051 0.000 1.073 342 L CA 1.194 56.069 54.840 0.059 0.000 0.745 342 L CB -0.395 41.692 42.059 0.046 0.000 0.894 342 L HN 0.316 nan 8.230 nan 0.000 0.432 343 E N -0.067 120.159 120.200 0.043 0.000 2.204 343 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 343 E C 1.911 178.537 176.600 0.043 0.000 0.989 343 E CA 1.129 57.551 56.400 0.036 0.000 0.824 343 E CB -0.040 29.677 29.700 0.028 0.000 0.756 343 E HN 0.439 nan 8.360 nan 0.000 0.477 344 A N -0.106 122.749 122.820 0.058 0.000 2.251 344 A HA 0.346 4.666 4.320 -0.000 0.000 0.209 344 A C 1.582 179.210 177.584 0.073 0.000 1.187 344 A CA 0.901 52.980 52.037 0.070 0.000 0.823 344 A CB 0.035 19.093 19.000 0.097 0.000 0.846 344 A HN 0.252 nan 8.150 nan 0.000 0.486 345 G N -1.877 106.963 108.800 0.067 0.000 2.144 345 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.218 345 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.218 345 G C -0.084 174.856 174.900 0.065 0.000 0.988 345 G CA 0.015 45.147 45.100 0.054 0.000 0.659 345 G HN 0.901 nan 8.290 nan 0.000 0.522 346 V N 0.729 120.710 119.914 0.112 0.000 2.407 346 V HA 0.799 4.919 4.120 -0.000 0.000 0.291 346 V C 0.519 176.699 176.094 0.143 0.000 1.018 346 V CA -0.438 61.948 62.300 0.145 0.000 0.842 346 V CB 1.538 33.547 31.823 0.311 0.000 0.996 346 V HN 1.158 nan 8.190 nan 0.000 0.426 347 A N 5.331 128.215 122.820 0.107 0.000 2.309 347 A HA 0.816 5.136 4.320 -0.000 0.000 0.290 347 A C -0.127 177.529 177.584 0.120 0.000 1.206 347 A CA -0.294 51.801 52.037 0.097 0.000 0.850 347 A CB 0.789 19.832 19.000 0.072 0.000 1.118 347 A HN 1.387 nan 8.150 nan 0.000 0.523 348 V N 0.603 120.588 119.914 0.118 0.000 3.141 348 V HA 0.821 4.941 4.120 -0.000 0.000 0.312 348 V C -0.425 175.732 176.094 0.105 0.000 1.157 348 V CA -0.864 61.511 62.300 0.125 0.000 1.041 348 V CB 1.616 33.516 31.823 0.129 0.000 1.071 348 V HN 0.544 nan 8.190 nan 0.000 0.441 349 V N 3.329 123.308 119.914 0.108 0.000 2.370 349 V HA 0.449 4.569 4.120 -0.000 0.000 0.279 349 V C -2.113 174.056 176.094 0.125 0.000 1.029 349 V CA -1.550 60.828 62.300 0.128 0.000 0.870 349 V CB 1.269 33.193 31.823 0.168 0.000 0.984 349 V HN 0.922 nan 8.190 nan 0.000 0.451 350 P HA 0.115 nan 4.420 nan 0.000 0.271 350 P C 0.860 178.267 177.300 0.179 0.000 1.218 350 P CA 0.013 63.183 63.100 0.116 0.000 0.780 350 P CB 1.115 32.870 31.700 0.092 0.000 0.901 351 G N 1.596 110.470 108.800 0.124 0.000 2.848 351 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.208 351 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.208 351 G C 1.168 176.096 174.900 0.047 0.000 1.152 351 G CA 0.354 45.530 45.100 0.127 0.000 0.789 351 G HN 0.436 nan 8.290 nan 0.000 0.531 352 T N 1.531 116.105 114.554 0.034 0.000 2.597 352 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 352 T C 1.841 176.464 174.700 -0.129 0.000 1.053 352 T CA 1.631 63.722 62.100 -0.014 0.000 1.165 352 T CB -0.265 68.666 68.868 0.105 0.000 0.863 352 T HN 0.237 nan 8.240 nan 0.000 0.427 353 D N 0.679 120.979 120.400 -0.167 0.000 2.263 353 D HA -0.026 4.614 4.640 -0.000 0.000 0.208 353 D C 1.431 177.467 176.300 -0.439 0.000 0.971 353 D CA 0.809 54.613 54.000 -0.326 0.000 0.867 353 D CB -0.353 40.143 40.800 -0.507 0.000 0.929 353 D HN 0.475 nan 8.370 nan 0.000 0.492 354 F N -0.125 119.658 119.950 -0.277 0.000 2.765 354 F HA 0.384 4.911 4.527 -0.000 0.000 0.302 354 F C 1.487 176.745 175.800 -0.903 0.000 1.111 354 F CA 0.213 57.939 58.000 -0.457 0.000 1.359 354 F CB -0.041 38.739 39.000 -0.367 0.000 1.097 354 F HN -0.124 nan 8.300 nan 0.000 0.577 355 A N 0.488 122.894 122.820 -0.690 0.000 2.996 355 A HA -0.041 4.279 4.320 -0.000 0.000 0.257 355 A C 0.754 177.783 177.584 -0.925 0.000 1.394 355 A CA 0.546 52.005 52.037 -0.963 0.000 0.820 355 A CB -2.049 16.514 19.000 -0.729 0.000 1.054 355 A HN 0.701 nan 8.150 nan 0.000 0.619 356 A N 0.015 122.389 122.820 -0.742 0.000 3.158 356 A HA 0.652 4.972 4.320 -0.000 0.000 0.319 356 A C -0.023 177.399 177.584 -0.270 0.000 1.204 356 A CA -0.480 51.300 52.037 -0.428 0.000 0.992 356 A CB -0.503 18.288 19.000 -0.349 0.000 1.110 356 A HN 0.870 nan 8.150 nan 0.000 0.519 357 F N 0.296 120.308 119.950 0.103 0.000 2.506 357 F HA 0.415 4.942 4.527 -0.000 0.000 0.351 357 F C 1.661 177.582 175.800 0.202 0.000 1.136 357 F CA 1.186 59.257 58.000 0.119 0.000 1.298 357 F CB 0.439 39.485 39.000 0.076 0.000 1.145 357 F HN 0.649 nan 8.300 nan 0.000 0.593 358 G N 0.703 109.666 108.800 0.271 0.000 2.184 358 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.264 358 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.264 358 G C -0.277 174.541 174.900 -0.138 0.000 0.975 358 G CA 0.198 45.348 45.100 0.084 0.000 0.642 358 G HN 0.852 nan 8.290 nan 0.000 0.536 359 H N -2.045 117.050 119.070 0.041 0.000 2.894 359 H HA 0.794 5.350 4.556 -0.000 0.000 0.368 359 H C -0.624 174.694 175.328 -0.017 0.000 1.181 359 H CA -0.374 55.678 56.048 0.007 0.000 1.146 359 H CB 2.408 32.167 29.762 -0.005 0.000 1.839 359 H HN 0.375 nan 8.280 nan 0.000 0.557 360 V N 1.121 121.093 119.914 0.097 0.000 2.789 360 V HA 0.410 4.530 4.120 -0.000 0.000 0.311 360 V C -0.789 175.313 176.094 0.013 0.000 1.073 360 V CA -0.809 61.516 62.300 0.042 0.000 0.921 360 V CB 1.948 33.784 31.823 0.022 0.000 1.009 360 V HN 0.704 nan 8.190 nan 0.000 0.426 361 R N 5.591 126.062 120.500 -0.049 0.000 2.254 361 R HA 0.584 4.924 4.340 -0.000 0.000 0.318 361 R C -1.364 174.966 176.300 0.050 0.000 1.031 361 R CA -0.461 55.581 56.100 -0.097 0.000 0.905 361 R CB 0.758 30.842 30.300 -0.360 0.000 1.050 361 R HN 0.689 nan 8.270 nan 0.000 0.456 362 L N 2.471 123.770 121.223 0.128 0.000 2.325 362 L HA 0.366 4.706 4.340 -0.000 0.000 0.278 362 L C 0.036 177.062 176.870 0.261 0.000 1.023 362 L CA -0.647 54.314 54.840 0.202 0.000 0.811 362 L CB 1.920 44.121 42.059 0.237 0.000 1.249 362 L HN 0.576 nan 8.230 nan 0.000 0.431 363 S N 1.400 117.239 115.700 0.232 0.000 2.478 363 S HA 0.402 4.872 4.470 -0.000 0.000 0.312 363 S C -0.235 174.413 174.600 0.079 0.000 1.094 363 S CA -0.612 57.686 58.200 0.163 0.000 1.081 363 S CB 0.611 63.931 63.200 0.200 0.000 1.007 363 S HN 0.475 nan 8.310 nan 0.000 0.475 364 Y N 2.669 122.954 120.300 -0.027 0.000 2.746 364 Y HA 0.656 5.206 4.550 -0.000 0.000 0.312 364 Y C 0.645 176.464 175.900 -0.135 0.000 1.117 364 Y CA -0.756 57.309 58.100 -0.058 0.000 1.324 364 Y CB -0.519 37.929 38.460 -0.020 0.000 1.173 364 Y HN 0.630 nan 8.280 nan 0.000 0.529 365 A N 1.193 123.801 122.820 -0.352 0.000 3.202 365 A HA 0.539 4.859 4.320 -0.000 0.000 0.258 365 A C 0.180 177.627 177.584 -0.229 0.000 1.572 365 A CA 0.093 51.858 52.037 -0.453 0.000 1.241 365 A CB -1.145 17.194 19.000 -1.101 0.000 1.127 365 A HN 0.452 nan 8.150 nan 0.000 0.648 366 T N -1.747 112.744 114.554 -0.104 0.000 2.812 366 T HA 0.615 4.965 4.350 -0.000 0.000 0.294 366 T C 0.183 174.838 174.700 -0.075 0.000 1.159 366 T CA -0.197 61.848 62.100 -0.092 0.000 1.008 366 T CB 0.988 69.826 68.868 -0.051 0.000 1.289 366 T HN 0.591 nan 8.240 nan 0.000 0.514 367 S N -0.090 115.562 115.700 -0.081 0.000 2.593 367 S HA 0.229 4.699 4.470 -0.000 0.000 0.269 367 S C 0.940 175.514 174.600 -0.043 0.000 1.334 367 S CA -0.690 57.468 58.200 -0.070 0.000 1.015 367 S CB 0.509 63.668 63.200 -0.068 0.000 0.912 367 S HN 0.741 nan 8.310 nan 0.000 0.541 368 E N 1.050 121.227 120.200 -0.037 0.000 2.110 368 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 368 E C 1.676 178.251 176.600 -0.042 0.000 0.988 368 E CA 1.448 57.827 56.400 -0.035 0.000 0.804 368 E CB -0.221 29.461 29.700 -0.031 0.000 0.745 368 E HN 0.744 nan 8.360 nan 0.000 0.458 369 E N 0.948 121.124 120.200 -0.041 0.000 2.118 369 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 369 E C 1.716 178.286 176.600 -0.050 0.000 0.992 369 E CA 0.834 57.210 56.400 -0.041 0.000 0.804 369 E CB -0.143 29.536 29.700 -0.035 0.000 0.741 369 E HN 0.151 nan 8.360 nan 0.000 0.458 370 N N -0.087 118.582 118.700 -0.052 0.000 2.270 370 N HA -0.025 4.715 4.740 -0.000 0.000 0.181 370 N C 1.653 177.115 175.510 -0.080 0.000 1.016 370 N CA 0.626 53.641 53.050 -0.059 0.000 0.870 370 N CB -0.028 38.429 38.487 -0.050 0.000 0.979 370 N HN 0.188 nan 8.380 nan 0.000 0.431 371 L N 0.529 121.709 121.223 -0.072 0.000 2.141 371 L HA -0.034 4.306 4.340 -0.000 0.000 0.209 371 L C 2.223 179.020 176.870 -0.121 0.000 1.094 371 L CA 0.864 55.650 54.840 -0.090 0.000 0.763 371 L CB -0.128 41.897 42.059 -0.056 0.000 0.908 371 L HN 0.075 nan 8.230 nan 0.000 0.437 372 R N -0.060 120.384 120.500 -0.094 0.000 2.119 372 R HA -0.080 4.260 4.340 -0.000 0.000 0.222 372 R C 2.236 178.471 176.300 -0.109 0.000 1.088 372 R CA 0.790 56.835 56.100 -0.091 0.000 0.984 372 R CB -0.098 30.165 30.300 -0.061 0.000 0.884 372 R HN 0.261 nan 8.270 nan 0.000 0.447 373 K N 0.573 120.910 120.400 -0.106 0.000 2.097 373 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 373 K C 2.138 178.635 176.600 -0.171 0.000 1.050 373 K CA 1.284 57.508 56.287 -0.105 0.000 0.938 373 K CB -0.073 32.380 32.500 -0.079 0.000 0.718 373 K HN 0.132 nan 8.250 nan 0.000 0.442 374 A N 1.254 123.920 122.820 -0.258 0.000 1.902 374 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 374 A C 2.057 179.162 177.584 -0.798 0.000 1.181 374 A CA 1.190 52.919 52.037 -0.514 0.000 0.623 374 A CB -0.562 18.111 19.000 -0.544 0.000 0.818 374 A HN 0.167 nan 8.150 nan 0.000 0.443 375 L N -0.775 120.152 121.223 -0.494 0.000 2.141 375 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 375 L C 2.570 179.375 176.870 -0.108 0.000 1.094 375 L CA 1.406 56.072 54.840 -0.291 0.000 0.763 375 L CB -0.487 41.495 42.059 -0.128 0.000 0.908 375 L HN 0.496 nan 8.230 nan 0.000 0.437 376 E N -0.244 119.892 120.200 -0.106 0.000 2.028 376 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 376 E C 2.317 178.924 176.600 0.010 0.000 0.988 376 E CA 0.828 57.209 56.400 -0.033 0.000 0.799 376 E CB 0.019 29.696 29.700 -0.039 0.000 0.755 376 E HN 0.370 nan 8.360 nan 0.000 0.447 377 R N 0.252 120.745 120.500 -0.012 0.000 2.120 377 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 377 R C 2.173 178.609 176.300 0.225 0.000 1.123 377 R CA 0.866 57.009 56.100 0.072 0.000 0.975 377 R CB -0.520 29.812 30.300 0.054 0.000 0.866 377 R HN 0.203 nan 8.270 nan 0.000 0.446 378 F N 1.298 121.254 119.950 0.009 0.000 2.171 378 F HA -0.022 4.505 4.527 -0.000 0.000 0.300 378 F C 2.604 178.408 175.800 0.007 0.000 1.090 378 F CA 0.466 58.472 58.000 0.010 0.000 1.293 378 F CB -1.143 37.864 39.000 0.011 0.000 1.013 378 F HN 0.045 nan 8.300 nan 0.000 0.486 379 A N 0.272 123.215 122.820 0.206 0.000 1.930 379 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 379 A C 2.409 180.041 177.584 0.079 0.000 1.175 379 A CA 1.236 53.340 52.037 0.111 0.000 0.627 379 A CB -0.571 18.472 19.000 0.072 0.000 0.815 379 A HN 0.287 nan 8.150 nan 0.000 0.443 380 R N -0.677 119.872 120.500 0.081 0.000 2.080 380 R HA -0.113 4.227 4.340 -0.000 0.000 0.236 380 R C 1.967 178.298 176.300 0.052 0.000 1.137 380 R CA 1.549 57.684 56.100 0.057 0.000 0.943 380 R CB -0.941 29.393 30.300 0.057 0.000 0.846 380 R HN 0.336 nan 8.270 nan 0.000 0.431 381 V N 1.965 121.918 119.914 0.066 0.000 2.546 381 V HA -0.188 3.932 4.120 -0.000 0.000 0.254 381 V C 1.585 177.690 176.094 0.018 0.000 1.076 381 V CA 1.389 63.711 62.300 0.038 0.000 1.087 381 V CB -0.426 31.415 31.823 0.030 0.000 0.674 381 V HN 0.148 nan 8.190 nan 0.000 0.470 382 L N 0.000 121.239 121.223 0.027 0.000 2.949 382 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 382 L CA 0.000 54.849 54.840 0.015 0.000 0.813 382 L CB 0.000 42.071 42.059 0.019 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502