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 6taa_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATPADWRSQS IYFLLTDRFA RTDGSTTATc NTADQKYcGG TWQGIIDKLD DATA SEQUENCE YIQGMGFTAI WITPVTAQLP QTTAYGDAYH GYWQQDIYSL NENYGTADDL DATA SEQUENCE KALSSALHER GMYLMVDVVA NHMGYDGAGS SVDYSVFKPF SSQDYFHPFc DATA SEQUENCE FIQNYEDQTQ VEDcWLGDNT VSLPDLDTTK DVVKNEWYDW VGSLVSNYSI DATA SEQUENCE DGLRIDTVKH VQKDFWPGYN KAAGVYCIGE VLDGDPAYTc PYQNVMDGVL DATA SEQUENCE NYPIYYPLLN AFKSTSGSMD DLYNMINTVK SDcPDSTLLG TFVENHDNPR DATA SEQUENCE FASYTNDIAL AKNVAAFIIL NDGIPIIYAG QEQHYAGGND PANREATWLS DATA SEQUENCE GYPTDSELYK LIASANAIRN YAISKDTGFV TYKNWPIYKD DTTIAMRKGT DATA SEQUENCE DGSQIVTILS NKGASGDSYT LSLSGAGYTA GQQLTEVIGc TTVTVGSDGN DATA SEQUENCE VPVPMAGGLP RVLYPTEKLA GSKIcS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.748 177.584 0.273 0.000 1.274 1 A CA 0.000 52.081 52.037 0.073 0.000 0.836 1 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 2 T N 2.645 117.306 114.554 0.178 0.000 2.902 2 T HA 0.334 4.684 4.350 0.001 0.000 0.301 2 T C -1.666 173.184 174.700 0.250 0.000 1.012 2 T CA -0.047 62.165 62.100 0.187 0.000 1.151 2 T CB 0.962 69.883 68.868 0.089 0.000 0.946 2 T HN 0.124 nan 8.240 nan 0.000 0.542 3 P HA -0.189 nan 4.420 nan 0.000 0.213 3 P C 1.715 179.014 177.300 -0.002 0.000 1.170 3 P CA 1.464 64.590 63.100 0.044 0.000 0.902 3 P CB -0.139 31.619 31.700 0.096 0.000 0.789 4 A N -0.296 122.545 122.820 0.036 0.000 1.948 4 A HA -0.282 4.038 4.320 0.001 0.000 0.220 4 A C 2.242 179.843 177.584 0.028 0.000 1.177 4 A CA 2.428 54.480 52.037 0.026 0.000 0.636 4 A CB -1.645 17.371 19.000 0.027 0.000 0.815 4 A HN 0.184 nan 8.150 nan 0.000 0.449 5 D N -2.142 118.289 120.400 0.052 0.000 2.234 5 D HA -0.092 4.548 4.640 0.001 0.000 0.205 5 D C 1.494 177.789 176.300 -0.008 0.000 0.962 5 D CA 0.503 54.518 54.000 0.026 0.000 0.855 5 D CB -0.296 40.531 40.800 0.045 0.000 0.951 5 D HN 0.634 nan 8.370 nan 0.000 0.500 6 W N 0.936 122.203 121.300 -0.055 0.000 2.800 6 W HA 0.182 4.843 4.660 0.001 0.000 0.249 6 W C 2.409 178.842 176.519 -0.143 0.000 1.294 6 W CA -0.036 57.248 57.345 -0.102 0.000 1.402 6 W CB 0.086 29.248 29.460 -0.497 0.000 1.126 6 W HN -0.090 nan 8.180 nan 0.000 0.652 7 R N -0.078 120.452 120.500 0.050 0.000 2.127 7 R HA -0.167 4.174 4.340 0.001 0.000 0.238 7 R C 2.121 178.462 176.300 0.068 0.000 1.134 7 R CA 1.770 57.897 56.100 0.045 0.000 0.975 7 R CB -0.508 29.812 30.300 0.034 0.000 0.865 7 R HN 0.140 nan 8.270 nan 0.000 0.447 8 S N -0.043 115.670 115.700 0.022 0.000 2.577 8 S HA 0.087 4.558 4.470 0.001 0.000 0.219 8 S C 0.324 174.902 174.600 -0.036 0.000 0.962 8 S CA -0.520 57.679 58.200 -0.002 0.000 0.921 8 S CB 0.357 63.527 63.200 -0.051 0.000 0.789 8 S HN 0.027 nan 8.310 nan 0.000 0.497 9 Q N 2.088 121.888 119.800 0.000 0.000 2.256 9 Q HA 0.555 4.896 4.340 0.001 0.000 0.232 9 Q C -0.332 175.760 176.000 0.154 0.000 0.965 9 Q CA -0.193 55.620 55.803 0.018 0.000 0.908 9 Q CB 1.383 30.136 28.738 0.026 0.000 1.209 9 Q HN 0.519 nan 8.270 nan 0.000 0.489 10 S N -0.166 115.651 115.700 0.195 0.000 2.619 10 S HA 0.681 5.151 4.470 0.001 0.000 0.280 10 S C -0.510 174.416 174.600 0.544 0.000 1.150 10 S CA -0.814 57.573 58.200 0.311 0.000 0.978 10 S CB 0.657 63.945 63.200 0.147 0.000 1.041 10 S HN 0.467 nan 8.310 nan 0.000 0.485 11 I N 2.927 123.836 120.570 0.565 0.000 2.460 11 I HA 0.395 4.565 4.170 0.001 0.000 0.298 11 I C -1.131 175.077 176.117 0.151 0.000 0.989 11 I CA -0.969 60.602 61.300 0.452 0.000 1.173 11 I CB 1.540 39.818 38.000 0.462 0.000 1.338 11 I HN 0.757 nan 8.210 nan 0.000 0.456 12 Y N 6.365 126.485 120.300 -0.301 0.000 2.369 12 Y HA 0.357 4.907 4.550 0.001 0.000 0.337 12 Y C -0.782 175.009 175.900 -0.180 0.000 0.961 12 Y CA -0.939 56.774 58.100 -0.645 0.000 1.186 12 Y CB 0.878 38.843 38.460 -0.825 0.000 1.139 12 Y HN 0.384 nan 8.280 nan 0.000 0.494 13 F N 8.707 128.338 119.950 -0.533 0.000 2.411 13 F HA 0.593 5.121 4.527 0.001 0.000 0.355 13 F C -1.596 173.813 175.800 -0.652 0.000 1.117 13 F CA -1.365 56.261 58.000 -0.624 0.000 1.139 13 F CB 0.225 38.656 39.000 -0.949 0.000 1.120 13 F HN 0.383 nan 8.300 nan 0.000 0.493 14 L N 5.051 125.806 121.223 -0.779 0.000 2.354 14 L HA 0.591 4.932 4.340 0.001 0.000 0.264 14 L C -1.714 174.799 176.870 -0.594 0.000 1.008 14 L CA -1.048 53.361 54.840 -0.719 0.000 0.819 14 L CB 1.804 43.562 42.059 -0.503 0.000 1.339 14 L HN 0.398 nan 8.230 nan 0.000 0.420 15 L N 2.251 123.237 121.223 -0.394 0.000 2.278 15 L HA 0.237 4.578 4.340 0.001 0.000 0.287 15 L C 1.138 177.963 176.870 -0.075 0.000 1.072 15 L CA 0.015 54.736 54.840 -0.198 0.000 0.819 15 L CB 1.349 43.378 42.059 -0.050 0.000 1.176 15 L HN 0.971 nan 8.230 nan 0.000 0.435 16 T N 1.379 115.848 114.554 -0.141 0.000 2.699 16 T HA -0.246 4.105 4.350 0.001 0.000 0.268 16 T C 1.429 176.089 174.700 -0.067 0.000 1.036 16 T CA 1.970 63.950 62.100 -0.200 0.000 1.147 16 T CB -0.061 68.382 68.868 -0.709 0.000 0.862 16 T HN 0.622 nan 8.240 nan 0.000 0.446 17 D N 0.451 120.846 120.400 -0.008 0.000 2.182 17 D HA -0.101 4.540 4.640 0.001 0.000 0.201 17 D C 1.924 178.391 176.300 0.279 0.000 0.986 17 D CA 0.848 55.008 54.000 0.266 0.000 0.847 17 D CB 0.157 41.228 40.800 0.450 0.000 0.942 17 D HN 0.099 nan 8.370 nan 0.000 0.467 18 R N -0.919 119.684 120.500 0.170 0.000 2.509 18 R HA 0.116 4.457 4.340 0.001 0.000 0.300 18 R C 0.813 177.138 176.300 0.041 0.000 0.985 18 R CA -0.204 55.900 56.100 0.007 0.000 1.092 18 R CB -0.205 30.037 30.300 -0.097 0.000 1.237 18 R HN 0.271 nan 8.270 nan 0.000 0.546 19 F N 0.805 120.836 119.950 0.135 0.000 2.222 19 F HA 0.420 4.948 4.527 0.001 0.000 0.285 19 F C 0.105 176.187 175.800 0.469 0.000 1.068 19 F CA 0.202 58.324 58.000 0.203 0.000 1.265 19 F CB 0.383 39.472 39.000 0.149 0.000 1.087 19 F HN -0.106 nan 8.300 nan 0.000 0.511 20 A N 0.671 123.652 122.820 0.269 0.000 2.513 20 A HA 0.604 4.925 4.320 0.001 0.000 0.296 20 A C -0.710 176.928 177.584 0.089 0.000 1.052 20 A CA -0.776 51.340 52.037 0.132 0.000 0.714 20 A CB 0.955 19.889 19.000 -0.109 0.000 1.279 20 A HN 0.254 nan 8.150 nan 0.000 0.397 21 R N 0.621 121.033 120.500 -0.146 0.000 2.577 21 R HA 0.494 4.835 4.340 0.001 0.000 0.269 21 R C 0.696 176.908 176.300 -0.145 0.000 1.084 21 R CA -0.161 55.781 56.100 -0.263 0.000 1.163 21 R CB 0.661 30.591 30.300 -0.617 0.000 1.100 21 R HN 0.713 nan 8.270 nan 0.000 0.547 22 T N 0.584 115.072 114.554 -0.111 0.000 2.985 22 T HA -0.100 4.251 4.350 0.001 0.000 0.266 22 T C 0.719 175.366 174.700 -0.088 0.000 1.076 22 T CA 1.349 63.412 62.100 -0.063 0.000 1.135 22 T CB -0.173 68.678 68.868 -0.028 0.000 0.890 22 T HN 0.678 nan 8.240 nan 0.000 0.480 23 D N 0.570 120.892 120.400 -0.130 0.000 2.319 23 D HA 0.216 4.856 4.640 0.001 0.000 0.230 23 D C 1.418 177.641 176.300 -0.128 0.000 1.094 23 D CA 0.287 54.218 54.000 -0.116 0.000 0.856 23 D CB -0.976 39.752 40.800 -0.121 0.000 0.915 23 D HN 0.285 nan 8.370 nan 0.000 0.517 24 G N 0.023 108.739 108.800 -0.141 0.000 2.269 24 G HA2 -0.347 3.613 3.960 0.001 0.000 0.277 24 G HA3 -0.347 3.613 3.960 0.001 0.000 0.277 24 G C 0.457 175.269 174.900 -0.148 0.000 1.008 24 G CA 0.635 45.660 45.100 -0.125 0.000 0.774 24 G HN 0.620 nan 8.290 nan 0.000 0.511 25 S N -0.802 114.740 115.700 -0.263 0.000 2.566 25 S HA 0.438 4.908 4.470 0.001 0.000 0.280 25 S C 1.661 176.094 174.600 -0.278 0.000 1.343 25 S CA 1.226 59.259 58.200 -0.278 0.000 1.036 25 S CB 0.510 63.484 63.200 -0.376 0.000 0.866 25 S HN 1.169 nan 8.310 nan 0.000 0.526 26 T N -0.981 113.511 114.554 -0.103 0.000 3.091 26 T HA 0.223 4.574 4.350 0.001 0.000 0.277 26 T C 0.814 175.604 174.700 0.149 0.000 0.996 26 T CA 0.277 62.411 62.100 0.057 0.000 0.897 26 T CB -0.045 68.858 68.868 0.057 0.000 1.109 26 T HN 0.652 nan 8.240 nan 0.000 0.534 27 T N -1.474 113.111 114.554 0.052 0.000 3.009 27 T HA 0.595 4.945 4.350 0.001 0.000 0.267 27 T C 1.020 175.793 174.700 0.121 0.000 0.942 27 T CA 0.182 62.341 62.100 0.099 0.000 0.883 27 T CB -0.118 68.770 68.868 0.034 0.000 1.192 27 T HN 0.527 nan 8.240 nan 0.000 0.524 28 A N 2.995 125.836 122.820 0.034 0.000 2.584 28 A HA 0.415 4.736 4.320 0.001 0.000 0.239 28 A C 0.806 178.545 177.584 0.258 0.000 1.043 28 A CA 0.104 52.175 52.037 0.055 0.000 0.756 28 A CB -0.524 18.382 19.000 -0.158 0.000 0.963 28 A HN 0.497 nan 8.150 nan 0.000 0.511 29 T N 0.986 115.635 114.554 0.158 0.000 2.932 29 T HA 0.297 4.648 4.350 0.001 0.000 0.312 29 T C 0.111 174.921 174.700 0.183 0.000 1.071 29 T CA 0.078 62.258 62.100 0.134 0.000 1.128 29 T CB 0.541 69.445 68.868 0.060 0.000 0.984 29 T HN 1.030 nan 8.240 nan 0.000 0.549 30 c N 4.866 123.511 118.600 0.076 0.000 3.233 30 c HA 0.383 4.954 4.570 0.001 0.000 0.299 30 c C -0.207 173.828 174.090 -0.092 0.000 1.060 30 c CA -1.127 55.197 56.329 -0.007 0.000 1.382 30 c CB -1.039 41.401 42.510 -0.117 0.000 1.828 30 c HN 0.925 nan 8.230 nan 0.000 0.530 31 N N 2.042 120.701 118.700 -0.068 0.000 2.444 31 N HA 0.156 4.896 4.740 0.001 0.000 0.271 31 N C 1.334 176.778 175.510 -0.110 0.000 1.069 31 N CA 0.693 53.694 53.050 -0.083 0.000 0.965 31 N CB 1.851 40.309 38.487 -0.048 0.000 1.092 31 N HN 0.760 nan 8.380 nan 0.000 0.476 32 T N 1.122 115.604 114.554 -0.119 0.000 2.904 32 T HA -0.042 4.309 4.350 0.001 0.000 0.267 32 T C 1.719 176.378 174.700 -0.068 0.000 1.059 32 T CA 0.981 63.010 62.100 -0.119 0.000 1.137 32 T CB -0.289 68.517 68.868 -0.103 0.000 0.879 32 T HN 0.447 nan 8.240 nan 0.000 0.467 33 A N 2.091 124.884 122.820 -0.046 0.000 2.019 33 A HA -0.083 4.238 4.320 0.001 0.000 0.219 33 A C 2.069 179.655 177.584 0.003 0.000 1.164 33 A CA 1.603 53.633 52.037 -0.011 0.000 0.644 33 A CB -0.666 18.328 19.000 -0.010 0.000 0.805 33 A HN 0.469 nan 8.150 nan 0.000 0.449 34 D N -0.660 119.729 120.400 -0.018 0.000 2.224 34 D HA -0.032 4.609 4.640 0.001 0.000 0.205 34 D C 0.291 176.602 176.300 0.018 0.000 0.965 34 D CA 0.764 54.765 54.000 0.002 0.000 0.852 34 D CB -0.324 40.465 40.800 -0.019 0.000 0.947 34 D HN 0.585 nan 8.370 nan 0.000 0.494 35 Q N -0.402 119.380 119.800 -0.030 0.000 2.451 35 Q HA -0.232 4.109 4.340 0.001 0.000 0.305 35 Q C -0.002 175.979 176.000 -0.032 0.000 1.345 35 Q CA 0.687 56.484 55.803 -0.011 0.000 0.854 35 Q CB -1.446 27.423 28.738 0.218 0.000 1.162 35 Q HN 0.290 nan 8.270 nan 0.000 0.440 36 K N -0.113 120.196 120.400 -0.151 0.000 2.295 36 K HA 0.431 4.751 4.320 0.001 0.000 0.239 36 K C -0.833 175.682 176.600 -0.143 0.000 0.991 36 K CA -0.836 55.412 56.287 -0.066 0.000 0.845 36 K CB 0.937 33.448 32.500 0.018 0.000 1.197 36 K HN 0.001 nan 8.250 nan 0.000 0.441 37 Y N 0.966 121.301 120.300 0.058 0.000 2.721 37 Y HA -0.092 4.459 4.550 0.001 0.000 0.329 37 Y C 1.042 176.968 175.900 0.043 0.000 1.211 37 Y CA 0.054 58.201 58.100 0.078 0.000 1.512 37 Y CB 0.375 38.884 38.460 0.082 0.000 1.249 37 Y HN 0.533 nan 8.280 nan 0.000 0.549 38 c N 1.259 120.001 118.600 0.237 0.000 2.780 38 c HA 0.294 4.864 4.570 0.001 0.000 0.267 38 c C 1.696 176.002 174.090 0.361 0.000 1.266 38 c CA 0.662 57.157 56.329 0.276 0.000 1.709 38 c CB -0.753 41.901 42.510 0.239 0.000 1.975 38 c HN 1.204 nan 8.230 nan 0.000 0.582 39 G N 0.228 109.215 108.800 0.311 0.000 2.148 39 G HA2 -0.040 3.921 3.960 0.001 0.000 0.203 39 G HA3 -0.040 3.921 3.960 0.001 0.000 0.203 39 G C 0.315 175.304 174.900 0.147 0.000 0.993 39 G CA -0.083 45.114 45.100 0.161 0.000 0.661 39 G HN 0.764 nan 8.290 nan 0.000 0.518 40 G N 0.038 109.029 108.800 0.319 0.000 2.544 40 G HA2 0.662 4.623 3.960 0.001 0.000 0.242 40 G HA3 0.662 4.623 3.960 0.001 0.000 0.242 40 G C 0.392 175.357 174.900 0.109 0.000 1.247 40 G CA 1.191 46.443 45.100 0.253 0.000 0.840 40 G HN 1.470 nan 8.290 nan 0.000 0.578 41 T N -2.159 112.422 114.554 0.045 0.000 2.865 41 T HA 0.349 4.700 4.350 0.001 0.000 0.294 41 T C 0.478 175.186 174.700 0.014 0.000 1.119 41 T CA -0.897 61.168 62.100 -0.058 0.000 1.007 41 T CB 1.379 70.245 68.868 -0.003 0.000 1.225 41 T HN 0.529 nan 8.240 nan 0.000 0.515 42 W N 0.175 121.551 121.300 0.127 0.000 2.611 42 W HA 0.056 4.716 4.660 0.001 0.000 0.251 42 W C 1.920 178.496 176.519 0.094 0.000 1.265 42 W CA 0.328 57.732 57.345 0.098 0.000 1.295 42 W CB -0.669 28.845 29.460 0.090 0.000 1.129 42 W HN 0.686 nan 8.180 nan 0.000 0.630 43 Q N 0.261 120.223 119.800 0.270 0.000 2.250 43 Q HA 0.068 4.409 4.340 0.001 0.000 0.200 43 Q C 2.377 178.457 176.000 0.133 0.000 0.941 43 Q CA 1.768 57.677 55.803 0.177 0.000 0.872 43 Q CB -0.809 28.006 28.738 0.128 0.000 0.965 43 Q HN 0.148 nan 8.270 nan 0.000 0.480 44 G N 0.674 109.551 108.800 0.128 0.000 2.422 44 G HA2 -0.178 3.782 3.960 0.001 0.000 0.218 44 G HA3 -0.178 3.782 3.960 0.001 0.000 0.218 44 G C 1.463 176.460 174.900 0.163 0.000 1.146 44 G CA 0.821 45.976 45.100 0.092 0.000 0.769 44 G HN 0.383 nan 8.290 nan 0.000 0.547 45 I N 0.361 121.092 120.570 0.269 0.000 2.113 45 I HA -0.143 4.028 4.170 0.001 0.000 0.238 45 I C 2.672 178.927 176.117 0.229 0.000 1.070 45 I CA 0.871 62.382 61.300 0.352 0.000 1.332 45 I CB -0.324 37.875 38.000 0.332 0.000 1.044 45 I HN 0.104 nan 8.210 nan 0.000 0.402 46 I N 1.110 121.786 120.570 0.177 0.000 2.145 46 I HA -0.375 3.796 4.170 0.001 0.000 0.244 46 I C 1.901 178.076 176.117 0.097 0.000 1.075 46 I CA 1.663 63.037 61.300 0.123 0.000 1.332 46 I CB -0.478 37.587 38.000 0.108 0.000 1.033 46 I HN 0.295 nan 8.210 nan 0.000 0.410 47 D N 0.325 120.773 120.400 0.080 0.000 2.351 47 D HA -0.137 4.503 4.640 0.001 0.000 0.216 47 D C 1.436 177.738 176.300 0.003 0.000 0.968 47 D CA 1.077 55.094 54.000 0.029 0.000 0.899 47 D CB -0.101 40.695 40.800 -0.007 0.000 0.907 47 D HN 0.185 nan 8.370 nan 0.000 0.514 48 K N -0.236 120.194 120.400 0.051 0.000 2.646 48 K HA 0.301 4.622 4.320 0.001 0.000 0.206 48 K C 1.421 178.117 176.600 0.160 0.000 1.069 48 K CA -0.129 56.167 56.287 0.015 0.000 1.067 48 K CB 0.236 32.644 32.500 -0.154 0.000 0.807 48 K HN -0.013 nan 8.250 nan 0.000 0.482 49 L N 0.224 121.524 121.223 0.128 0.000 2.079 49 L HA -0.228 4.112 4.340 0.001 0.000 0.210 49 L C 1.024 177.957 176.870 0.105 0.000 1.081 49 L CA 1.309 56.218 54.840 0.115 0.000 0.752 49 L CB -0.052 42.059 42.059 0.087 0.000 0.896 49 L HN 0.276 nan 8.230 nan 0.000 0.433 50 D N -1.119 119.338 120.400 0.096 0.000 2.144 50 D HA -0.243 4.397 4.640 0.001 0.000 0.199 50 D C 1.822 178.205 176.300 0.138 0.000 0.984 50 D CA 1.111 55.164 54.000 0.090 0.000 0.834 50 D CB -0.135 40.707 40.800 0.070 0.000 0.955 50 D HN 0.347 nan 8.370 nan 0.000 0.465 51 Y N 0.841 121.167 120.300 0.044 0.000 2.200 51 Y HA -0.130 4.421 4.550 0.001 0.000 0.290 51 Y C 2.002 177.972 175.900 0.117 0.000 1.137 51 Y CA 1.242 59.408 58.100 0.110 0.000 1.163 51 Y CB -0.176 38.320 38.460 0.059 0.000 0.988 51 Y HN -0.091 nan 8.280 nan 0.000 0.518 52 I N 0.206 120.830 120.570 0.090 0.000 2.094 52 I HA -0.329 3.841 4.170 0.001 0.000 0.234 52 I C 2.601 178.694 176.117 -0.040 0.000 1.063 52 I CA 1.804 62.997 61.300 -0.178 0.000 1.328 52 I CB -0.735 37.126 38.000 -0.232 0.000 1.058 52 I HN 0.185 nan 8.210 nan 0.000 0.400 53 Q N 0.836 120.648 119.800 0.021 0.000 2.156 53 Q HA -0.243 4.098 4.340 0.001 0.000 0.211 53 Q C 2.011 177.998 176.000 -0.021 0.000 0.995 53 Q CA 2.114 57.931 55.803 0.023 0.000 0.877 53 Q CB -0.412 28.345 28.738 0.032 0.000 0.920 53 Q HN 0.622 nan 8.270 nan 0.000 0.416 54 G N -0.462 108.336 108.800 -0.004 0.000 2.679 54 G HA2 -0.124 3.837 3.960 0.001 0.000 0.212 54 G HA3 -0.124 3.837 3.960 0.001 0.000 0.212 54 G C 1.084 175.905 174.900 -0.131 0.000 1.137 54 G CA 0.092 45.192 45.100 -0.000 0.000 0.787 54 G HN 0.307 nan 8.290 nan 0.000 0.534 55 M N -0.115 119.311 119.600 -0.290 0.000 2.556 55 M HA 0.212 4.693 4.480 0.001 0.000 0.245 55 M C 1.749 177.741 176.300 -0.514 0.000 1.128 55 M CA 0.822 55.790 55.300 -0.554 0.000 1.069 55 M CB 0.541 32.823 32.600 -0.530 0.000 1.469 55 M HN 0.348 nan 8.290 nan 0.000 0.494 56 G N 0.272 108.858 108.800 -0.356 0.000 2.144 56 G HA2 -0.225 3.736 3.960 0.001 0.000 0.218 56 G HA3 -0.225 3.736 3.960 0.001 0.000 0.218 56 G C -0.098 174.578 174.900 -0.374 0.000 0.988 56 G CA -0.622 44.277 45.100 -0.335 0.000 0.659 56 G HN 0.313 nan 8.290 nan 0.000 0.522 57 F N 0.931 120.813 119.950 -0.114 0.000 2.450 57 F HA 0.458 4.986 4.527 0.001 0.000 0.339 57 F C 2.011 177.785 175.800 -0.043 0.000 1.146 57 F CA 1.175 59.146 58.000 -0.049 0.000 1.267 57 F CB 1.290 40.277 39.000 -0.022 0.000 1.178 57 F HN 0.113 nan 8.300 nan 0.000 0.585 58 T N -1.152 113.507 114.554 0.174 0.000 3.010 58 T HA 0.698 5.049 4.350 0.001 0.000 0.257 58 T C 0.069 174.812 174.700 0.070 0.000 1.020 58 T CA 0.315 62.434 62.100 0.033 0.000 0.938 58 T CB -0.031 68.766 68.868 -0.118 0.000 1.049 58 T HN 0.717 nan 8.240 nan 0.000 0.522 59 A N 1.295 124.252 122.820 0.228 0.000 2.610 59 A HA 0.764 5.084 4.320 0.001 0.000 0.291 59 A C -1.458 176.320 177.584 0.323 0.000 1.086 59 A CA -1.165 51.046 52.037 0.291 0.000 0.677 59 A CB 1.036 20.292 19.000 0.426 0.000 1.278 59 A HN 0.808 nan 8.150 nan 0.000 0.414 60 I N -2.638 118.122 120.570 0.317 0.000 2.689 60 I HA 0.868 5.039 4.170 0.001 0.000 0.299 60 I C -1.237 175.107 176.117 0.377 0.000 1.059 60 I CA -0.749 60.718 61.300 0.279 0.000 1.055 60 I CB 2.096 40.199 38.000 0.171 0.000 1.243 60 I HN 0.847 nan 8.210 nan 0.000 0.425 61 W N 8.595 129.996 121.300 0.167 0.000 2.475 61 W HA 0.768 5.428 4.660 0.001 0.000 0.317 61 W C -1.457 175.178 176.519 0.193 0.000 1.046 61 W CA -1.910 55.527 57.345 0.153 0.000 1.215 61 W CB 0.868 30.378 29.460 0.084 0.000 1.335 61 W HN 0.647 nan 8.180 nan 0.000 0.471 62 I N 4.053 124.939 120.570 0.527 0.000 2.740 62 I HA 0.702 4.873 4.170 0.001 0.000 0.303 62 I C 0.511 176.836 176.117 0.347 0.000 1.044 62 I CA -0.780 60.688 61.300 0.281 0.000 1.064 62 I CB 2.076 40.204 38.000 0.214 0.000 1.249 62 I HN 0.457 nan 8.210 nan 0.000 0.433 63 T N 1.694 116.353 114.554 0.176 0.000 2.766 63 T HA 0.373 4.723 4.350 0.001 0.000 0.295 63 T C -2.463 172.283 174.700 0.078 0.000 1.024 63 T CA -1.222 60.947 62.100 0.115 0.000 1.018 63 T CB -0.006 68.856 68.868 -0.010 0.000 1.002 63 T HN 0.511 nan 8.240 nan 0.000 0.532 64 P HA 0.087 nan 4.420 nan 0.000 0.264 64 P C 0.453 177.893 177.300 0.233 0.000 1.179 64 P CA -0.149 62.988 63.100 0.060 0.000 0.763 64 P CB 0.379 32.045 31.700 -0.057 0.000 0.806 65 V N 1.305 121.395 119.914 0.293 0.000 3.565 65 V HA -0.011 4.109 4.120 0.001 0.000 0.260 65 V C 1.094 177.414 176.094 0.376 0.000 1.231 65 V CA 1.159 63.716 62.300 0.428 0.000 1.100 65 V CB -0.381 31.578 31.823 0.226 0.000 0.807 65 V HN 0.689 nan 8.190 nan 0.000 0.454 66 T N 0.175 114.913 114.554 0.306 0.000 2.856 66 T HA 0.464 4.815 4.350 0.001 0.000 0.306 66 T C 0.285 175.122 174.700 0.229 0.000 1.062 66 T CA 0.067 62.329 62.100 0.270 0.000 1.083 66 T CB 1.208 70.222 68.868 0.243 0.000 0.984 66 T HN 0.412 nan 8.240 nan 0.000 0.542 67 A N 3.160 126.101 122.820 0.201 0.000 2.491 67 A HA 0.326 4.647 4.320 0.001 0.000 0.261 67 A C 0.699 178.394 177.584 0.186 0.000 1.101 67 A CA -0.538 51.597 52.037 0.163 0.000 0.772 67 A CB -0.146 18.948 19.000 0.156 0.000 1.043 67 A HN 0.784 nan 8.150 nan 0.000 0.501 68 Q N 0.903 120.811 119.800 0.180 0.000 2.260 68 Q HA 0.406 4.746 4.340 0.001 0.000 0.238 68 Q C 0.019 176.154 176.000 0.225 0.000 0.948 68 Q CA -0.798 55.144 55.803 0.230 0.000 0.895 68 Q CB 1.092 29.957 28.738 0.211 0.000 1.218 68 Q HN 0.779 nan 8.270 nan 0.000 0.470 69 L N 0.333 121.716 121.223 0.267 0.000 2.543 69 L HA 0.112 4.452 4.340 0.001 0.000 0.285 69 L C -1.606 175.355 176.870 0.153 0.000 1.236 69 L CA -0.293 54.653 54.840 0.176 0.000 0.871 69 L CB -0.546 41.609 42.059 0.160 0.000 1.121 69 L HN 0.391 nan 8.230 nan 0.000 0.501 70 P HA -0.025 nan 4.420 nan 0.000 0.227 70 P C 0.134 177.488 177.300 0.091 0.000 1.161 70 P CA 0.706 63.860 63.100 0.089 0.000 0.788 70 P CB 0.294 32.021 31.700 0.045 0.000 0.822 71 Q N 0.046 119.878 119.800 0.053 0.000 2.417 71 Q HA 0.249 4.590 4.340 0.001 0.000 0.241 71 Q C 0.066 176.123 176.000 0.094 0.000 1.008 71 Q CA 0.537 56.365 55.803 0.041 0.000 0.901 71 Q CB -0.155 28.564 28.738 -0.032 0.000 1.259 71 Q HN -0.102 nan 8.270 nan 0.000 0.489 72 T N 2.002 116.603 114.554 0.080 0.000 2.739 72 T HA 0.246 4.597 4.350 0.001 0.000 0.298 72 T C 0.129 174.872 174.700 0.071 0.000 0.929 72 T CA -0.481 61.681 62.100 0.103 0.000 1.014 72 T CB -0.087 68.836 68.868 0.091 0.000 0.914 72 T HN 0.714 nan 8.240 nan 0.000 0.509 73 T N 0.757 115.372 114.554 0.102 0.000 2.770 73 T HA 0.497 4.847 4.350 0.001 0.000 0.281 73 T C 1.873 176.581 174.700 0.013 0.000 0.981 73 T CA -0.321 61.787 62.100 0.013 0.000 0.955 73 T CB 0.622 69.477 68.868 -0.022 0.000 1.060 73 T HN 0.403 nan 8.240 nan 0.000 0.531 74 A N -0.265 122.484 122.820 -0.118 0.000 2.070 74 A HA 0.055 4.375 4.320 0.001 0.000 0.220 74 A C 1.280 178.887 177.584 0.039 0.000 1.159 74 A CA 0.833 52.794 52.037 -0.127 0.000 0.656 74 A CB -0.948 17.867 19.000 -0.308 0.000 0.800 74 A HN 0.813 nan 8.150 nan 0.000 0.453 75 Y N 0.090 120.479 120.300 0.148 0.000 2.683 75 Y HA 0.437 4.988 4.550 0.001 0.000 0.297 75 Y C 1.426 177.515 175.900 0.314 0.000 1.147 75 Y CA -0.417 57.822 58.100 0.233 0.000 1.274 75 Y CB -0.844 37.809 38.460 0.322 0.000 1.143 75 Y HN 0.475 nan 8.280 nan 0.000 0.527 76 G N 0.028 109.052 108.800 0.373 0.000 2.698 76 G HA2 -0.203 3.757 3.960 0.001 0.000 0.225 76 G HA3 -0.203 3.757 3.960 0.001 0.000 0.225 76 G C -0.845 174.258 174.900 0.339 0.000 1.345 76 G CA -0.869 44.420 45.100 0.316 0.000 0.871 76 G HN 0.109 nan 8.290 nan 0.000 0.540 77 D N 0.128 120.657 120.400 0.216 0.000 2.354 77 D HA 0.552 5.192 4.640 0.001 0.000 0.247 77 D C 1.130 177.333 176.300 -0.162 0.000 1.138 77 D CA 0.563 54.595 54.000 0.053 0.000 0.958 77 D CB 1.221 41.902 40.800 -0.199 0.000 1.144 77 D HN 1.064 nan 8.370 nan 0.000 0.458 78 A N 1.203 123.856 122.820 -0.278 0.000 2.648 78 A HA 0.007 4.328 4.320 0.001 0.000 0.269 78 A C 0.972 178.003 177.584 -0.922 0.000 1.392 78 A CA -0.252 51.425 52.037 -0.601 0.000 1.019 78 A CB -1.246 17.780 19.000 0.044 0.000 1.009 78 A HN 0.603 nan 8.150 nan 0.000 0.565 79 Y N -0.352 119.327 120.300 -1.035 0.000 2.315 79 Y HA -0.284 4.266 4.550 0.001 0.000 0.288 79 Y C 1.770 177.509 175.900 -0.268 0.000 1.154 79 Y CA 1.708 59.365 58.100 -0.738 0.000 1.229 79 Y CB -1.091 36.999 38.460 -0.617 0.000 0.980 79 Y HN 0.652 nan 8.280 nan 0.000 0.540 80 H N -1.446 117.135 119.070 -0.815 0.000 2.535 80 H HA 0.369 4.925 4.556 0.001 0.000 0.273 80 H C 1.909 177.050 175.328 -0.312 0.000 0.983 80 H CA -0.057 55.727 56.048 -0.440 0.000 1.238 80 H CB -0.514 29.005 29.762 -0.405 0.000 1.412 80 H HN 0.384 nan 8.280 nan 0.000 0.562 81 G N -0.154 108.535 108.800 -0.184 0.000 2.136 81 G HA2 -0.333 3.627 3.960 0.001 0.000 0.242 81 G HA3 -0.333 3.627 3.960 0.001 0.000 0.242 81 G C 0.058 174.923 174.900 -0.058 0.000 0.989 81 G CA 0.384 45.446 45.100 -0.063 0.000 0.682 81 G HN 0.548 nan 8.290 nan 0.000 0.522 82 Y N -1.419 119.028 120.300 0.244 0.000 2.493 82 Y HA 0.423 4.974 4.550 0.001 0.000 0.275 82 Y C 0.595 176.749 175.900 0.423 0.000 1.183 82 Y CA -0.685 57.539 58.100 0.206 0.000 1.258 82 Y CB 0.417 38.922 38.460 0.073 0.000 1.108 82 Y HN 0.356 nan 8.280 nan 0.000 0.521 83 W N 2.755 124.292 121.300 0.394 0.000 1.986 83 W HA 0.329 4.989 4.660 0.001 0.000 0.287 83 W C -0.220 176.451 176.519 0.254 0.000 0.866 83 W CA -1.647 55.892 57.345 0.325 0.000 2.056 83 W CB -0.328 29.313 29.460 0.301 0.000 2.290 83 W HN 0.124 nan 8.180 nan 0.000 0.396 84 Q N -0.135 119.912 119.800 0.412 0.000 2.354 84 Q HA 0.299 4.639 4.340 0.001 0.000 0.244 84 Q C 0.216 176.422 176.000 0.344 0.000 0.969 84 Q CA 0.205 56.197 55.803 0.315 0.000 0.885 84 Q CB 1.730 30.608 28.738 0.233 0.000 1.241 84 Q HN 0.411 nan 8.270 nan 0.000 0.461 85 Q N -0.053 119.951 119.800 0.340 0.000 2.404 85 Q HA 0.094 4.434 4.340 0.001 0.000 0.262 85 Q C -0.603 175.622 176.000 0.375 0.000 0.846 85 Q CA 0.146 56.230 55.803 0.468 0.000 0.978 85 Q CB 1.028 30.002 28.738 0.393 0.000 1.156 85 Q HN 0.659 nan 8.270 nan 0.000 0.548 86 D N 1.189 121.738 120.400 0.248 0.000 2.420 86 D HA 0.140 4.780 4.640 0.001 0.000 0.255 86 D C 0.466 176.848 176.300 0.137 0.000 1.185 86 D CA -0.298 53.815 54.000 0.188 0.000 0.904 86 D CB 0.896 41.805 40.800 0.182 0.000 1.102 86 D HN 0.254 nan 8.370 nan 0.000 0.534 87 I N 0.142 120.719 120.570 0.012 0.000 3.564 87 I HA 0.048 4.219 4.170 0.001 0.000 0.294 87 I C -0.126 175.950 176.117 -0.067 0.000 1.289 87 I CA 0.289 61.532 61.300 -0.095 0.000 1.325 87 I CB -0.202 37.446 38.000 -0.587 0.000 1.039 87 I HN 0.139 nan 8.210 nan 0.000 0.474 88 Y N 0.815 121.248 120.300 0.221 0.000 2.524 88 Y HA 0.373 4.924 4.550 0.001 0.000 0.266 88 Y C 0.997 177.037 175.900 0.234 0.000 1.180 88 Y CA -0.276 57.984 58.100 0.268 0.000 1.244 88 Y CB 0.293 38.854 38.460 0.169 0.000 1.125 88 Y HN 0.174 nan 8.280 nan 0.000 0.524 89 S N -0.201 115.678 115.700 0.299 0.000 2.599 89 S HA 0.695 5.165 4.470 0.001 0.000 0.287 89 S C -0.930 173.813 174.600 0.238 0.000 1.105 89 S CA -0.628 57.720 58.200 0.247 0.000 0.899 89 S CB 0.760 64.081 63.200 0.201 0.000 1.100 89 S HN 0.103 nan 8.310 nan 0.000 0.482 90 L N 2.594 123.955 121.223 0.230 0.000 2.375 90 L HA 0.520 4.861 4.340 0.001 0.000 0.268 90 L C 0.403 177.386 176.870 0.188 0.000 1.058 90 L CA -1.027 53.968 54.840 0.258 0.000 0.803 90 L CB 0.770 43.031 42.059 0.336 0.000 1.212 90 L HN 0.600 nan 8.230 nan 0.000 0.451 91 N N 1.422 120.225 118.700 0.171 0.000 2.406 91 N HA -0.045 4.695 4.740 0.001 0.000 0.265 91 N C 0.867 176.265 175.510 -0.187 0.000 1.203 91 N CA 0.065 53.070 53.050 -0.075 0.000 0.945 91 N CB 0.823 39.145 38.487 -0.275 0.000 1.165 91 N HN 0.676 nan 8.380 nan 0.000 0.485 92 E N 2.594 122.703 120.200 -0.152 0.000 2.338 92 E HA -0.183 4.167 4.350 0.001 0.000 0.197 92 E C 0.510 176.936 176.600 -0.290 0.000 1.007 92 E CA 1.058 57.379 56.400 -0.133 0.000 0.849 92 E CB -0.179 29.473 29.700 -0.080 0.000 0.774 92 E HN 0.551 nan 8.360 nan 0.000 0.506 93 N N -0.128 118.251 118.700 -0.535 0.000 2.289 93 N HA -0.156 4.584 4.740 0.001 0.000 0.184 93 N C 0.774 175.998 175.510 -0.477 0.000 1.016 93 N CA 1.279 53.950 53.050 -0.631 0.000 0.872 93 N CB -0.128 37.697 38.487 -1.102 0.000 0.973 93 N HN 0.249 nan 8.380 nan 0.000 0.433 94 Y N -0.499 119.464 120.300 -0.562 0.000 2.475 94 Y HA 0.313 4.864 4.550 0.001 0.000 0.289 94 Y C 1.676 177.139 175.900 -0.728 0.000 1.121 94 Y CA 0.218 57.736 58.100 -0.970 0.000 1.257 94 Y CB -0.272 37.020 38.460 -1.946 0.000 1.026 94 Y HN 0.044 nan 8.280 nan 0.000 0.555 95 G N -1.272 107.401 108.800 -0.212 0.000 2.347 95 G HA2 0.125 4.086 3.960 0.001 0.000 0.224 95 G HA3 0.125 4.086 3.960 0.001 0.000 0.224 95 G C -0.990 174.122 174.900 0.353 0.000 1.318 95 G CA -0.505 44.703 45.100 0.181 0.000 1.016 95 G HN -0.087 nan 8.290 nan 0.000 0.469 96 T N 0.259 115.078 114.554 0.443 0.000 2.908 96 T HA 0.613 4.963 4.350 0.001 0.000 0.290 96 T C 1.444 176.333 174.700 0.314 0.000 1.034 96 T CA 0.855 63.152 62.100 0.327 0.000 1.010 96 T CB 1.511 70.508 68.868 0.215 0.000 1.068 96 T HN 1.615 nan 8.240 nan 0.000 0.481 97 A N 1.390 124.366 122.820 0.260 0.000 2.194 97 A HA -0.100 4.220 4.320 0.001 0.000 0.220 97 A C 1.773 179.484 177.584 0.211 0.000 1.162 97 A CA 1.634 53.838 52.037 0.279 0.000 0.674 97 A CB -0.411 18.769 19.000 0.301 0.000 0.789 97 A HN 0.841 nan 8.150 nan 0.000 0.470 98 D N -0.179 120.320 120.400 0.165 0.000 2.137 98 D HA -0.096 4.545 4.640 0.001 0.000 0.202 98 D C 1.008 177.377 176.300 0.115 0.000 0.970 98 D CA 1.094 55.165 54.000 0.117 0.000 0.837 98 D CB -0.221 40.638 40.800 0.099 0.000 0.981 98 D HN 0.348 nan 8.370 nan 0.000 0.475 99 D N 1.243 121.741 120.400 0.162 0.000 2.104 99 D HA -0.113 4.528 4.640 0.001 0.000 0.194 99 D C 2.183 178.533 176.300 0.082 0.000 0.994 99 D CA 0.252 54.372 54.000 0.199 0.000 0.830 99 D CB -0.386 40.635 40.800 0.369 0.000 0.959 99 D HN 0.159 nan 8.370 nan 0.000 0.452 100 L N 0.131 121.292 121.223 -0.105 0.000 2.353 100 L HA -0.180 4.161 4.340 0.001 0.000 0.220 100 L C 1.993 178.790 176.870 -0.123 0.000 1.133 100 L CA 1.102 55.635 54.840 -0.511 0.000 0.798 100 L CB 0.067 41.646 42.059 -0.800 0.000 0.922 100 L HN -0.035 nan 8.230 nan 0.000 0.445 101 K N -0.885 119.530 120.400 0.024 0.000 2.099 101 K HA 0.052 4.373 4.320 0.001 0.000 0.203 101 K C 2.121 178.734 176.600 0.020 0.000 1.047 101 K CA 0.959 57.278 56.287 0.053 0.000 0.963 101 K CB -0.071 32.458 32.500 0.049 0.000 0.759 101 K HN 0.257 nan 8.250 nan 0.000 0.451 102 A N 1.802 124.644 122.820 0.037 0.000 1.865 102 A HA -0.201 4.119 4.320 0.001 0.000 0.217 102 A C 2.028 179.623 177.584 0.019 0.000 1.191 102 A CA 1.463 53.524 52.037 0.039 0.000 0.623 102 A CB -0.921 18.116 19.000 0.062 0.000 0.826 102 A HN 0.346 nan 8.150 nan 0.000 0.444 103 L N 0.036 121.266 121.223 0.011 0.000 1.990 103 L HA -0.201 4.140 4.340 0.001 0.000 0.213 103 L C 2.543 179.373 176.870 -0.066 0.000 1.072 103 L CA 2.724 57.562 54.840 -0.004 0.000 0.755 103 L CB -0.907 41.160 42.059 0.014 0.000 0.889 103 L HN 0.480 nan 8.230 nan 0.000 0.432 104 S N -1.305 114.320 115.700 -0.125 0.000 2.440 104 S HA -0.197 4.273 4.470 0.001 0.000 0.240 104 S C 2.166 176.579 174.600 -0.312 0.000 1.014 104 S CA 1.776 59.815 58.200 -0.269 0.000 0.980 104 S CB -0.181 62.925 63.200 -0.158 0.000 0.775 104 S HN 0.694 nan 8.310 nan 0.000 0.499 105 S N -0.178 115.468 115.700 -0.091 0.000 2.412 105 S HA 0.315 4.786 4.470 0.001 0.000 0.223 105 S C 2.068 176.686 174.600 0.031 0.000 1.048 105 S CA 0.775 58.981 58.200 0.009 0.000 0.954 105 S CB -0.589 62.628 63.200 0.028 0.000 0.840 105 S HN 0.640 nan 8.310 nan 0.000 0.503 106 A N 1.722 124.553 122.820 0.019 0.000 1.930 106 A HA 0.132 4.452 4.320 0.001 0.000 0.217 106 A C 2.116 179.729 177.584 0.048 0.000 1.175 106 A CA 1.206 53.267 52.037 0.040 0.000 0.627 106 A CB -0.817 18.210 19.000 0.046 0.000 0.815 106 A HN 0.554 nan 8.150 nan 0.000 0.443 107 L N -1.316 119.918 121.223 0.017 0.000 1.970 107 L HA -0.264 4.077 4.340 0.001 0.000 0.212 107 L C 2.576 179.539 176.870 0.156 0.000 1.071 107 L CA 2.036 56.904 54.840 0.048 0.000 0.751 107 L CB -0.972 41.076 42.059 -0.019 0.000 0.889 107 L HN 0.522 nan 8.230 nan 0.000 0.432 108 H N -1.065 118.050 119.070 0.074 0.000 2.387 108 H HA -0.225 4.332 4.556 0.001 0.000 0.299 108 H C 2.198 177.554 175.328 0.048 0.000 1.099 108 H CA 1.172 57.264 56.048 0.072 0.000 1.315 108 H CB 0.201 29.999 29.762 0.060 0.000 1.380 108 H HN 0.378 nan 8.280 nan 0.000 0.513 109 E N 1.196 121.494 120.200 0.164 0.000 2.268 109 E HA -0.102 4.249 4.350 0.001 0.000 0.195 109 E C 1.543 178.183 176.600 0.066 0.000 0.995 109 E CA 0.710 57.166 56.400 0.093 0.000 0.836 109 E CB 0.252 29.995 29.700 0.071 0.000 0.763 109 E HN 0.379 nan 8.360 nan 0.000 0.491 110 R N -1.288 119.255 120.500 0.073 0.000 2.397 110 R HA 0.246 4.587 4.340 0.001 0.000 0.241 110 R C 0.654 176.973 176.300 0.031 0.000 0.914 110 R CA 0.433 56.561 56.100 0.047 0.000 1.071 110 R CB 1.064 31.395 30.300 0.051 0.000 1.116 110 R HN 0.185 nan 8.270 nan 0.000 0.524 111 G N 1.796 110.622 108.800 0.043 0.000 2.171 111 G HA2 -0.276 3.684 3.960 0.001 0.000 0.238 111 G HA3 -0.276 3.684 3.960 0.001 0.000 0.238 111 G C 0.004 174.890 174.900 -0.023 0.000 1.039 111 G CA 0.031 45.132 45.100 0.001 0.000 0.759 111 G HN 0.134 nan 8.290 nan 0.000 0.501 112 M N -0.638 119.018 119.600 0.093 0.000 2.598 112 M HA 0.657 5.137 4.480 0.001 0.000 0.317 112 M C -0.243 176.252 176.300 0.326 0.000 1.201 112 M CA -1.008 54.356 55.300 0.106 0.000 0.971 112 M CB 1.404 34.072 32.600 0.115 0.000 1.657 112 M HN 0.035 nan 8.290 nan 0.000 0.470 113 Y N 1.250 121.598 120.300 0.081 0.000 2.457 113 Y HA 0.579 5.129 4.550 0.001 0.000 0.333 113 Y C -0.544 175.497 175.900 0.235 0.000 1.119 113 Y CA -1.621 56.560 58.100 0.135 0.000 1.143 113 Y CB 1.374 39.698 38.460 -0.227 0.000 1.230 113 Y HN 0.449 nan 8.280 nan 0.000 0.469 114 L N 4.789 126.249 121.223 0.395 0.000 2.287 114 L HA 0.599 4.939 4.340 0.001 0.000 0.287 114 L C -0.778 176.292 176.870 0.335 0.000 1.022 114 L CA -0.481 54.511 54.840 0.254 0.000 0.814 114 L CB 0.964 43.041 42.059 0.030 0.000 1.217 114 L HN 0.708 nan 8.230 nan 0.000 0.420 115 M N 5.596 125.396 119.600 0.332 0.000 2.364 115 M HA 0.708 5.189 4.480 0.001 0.000 0.334 115 M C -1.721 174.649 176.300 0.117 0.000 1.107 115 M CA -0.564 54.854 55.300 0.196 0.000 0.988 115 M CB 1.694 34.362 32.600 0.113 0.000 1.673 115 M HN 0.465 nan 8.290 nan 0.000 0.441 116 V N 3.304 123.227 119.914 0.014 0.000 2.656 116 V HA 0.347 4.467 4.120 0.001 0.000 0.307 116 V C -0.708 175.382 176.094 -0.007 0.000 1.051 116 V CA -0.796 61.535 62.300 0.051 0.000 0.893 116 V CB 1.983 33.818 31.823 0.020 0.000 0.999 116 V HN 0.831 nan 8.190 nan 0.000 0.426 117 D N 3.011 123.459 120.400 0.079 0.000 2.304 117 D HA 0.480 5.121 4.640 0.001 0.000 0.250 117 D C -0.492 175.856 176.300 0.081 0.000 1.107 117 D CA 0.175 54.196 54.000 0.036 0.000 0.885 117 D CB 1.709 42.674 40.800 0.276 0.000 1.192 117 D HN 0.477 nan 8.370 nan 0.000 0.436 118 V N 0.750 120.706 119.914 0.070 0.000 2.925 118 V HA 0.668 4.788 4.120 0.001 0.000 0.311 118 V C -0.477 175.652 176.094 0.058 0.000 1.104 118 V CA -0.968 61.421 62.300 0.149 0.000 0.954 118 V CB 1.643 33.646 31.823 0.299 0.000 1.022 118 V HN 0.272 nan 8.190 nan 0.000 0.427 119 V N 2.631 122.541 119.914 -0.008 0.000 2.547 119 V HA 0.818 4.938 4.120 0.001 0.000 0.299 119 V C 0.895 176.730 176.094 -0.431 0.000 1.040 119 V CA 0.538 62.748 62.300 -0.151 0.000 0.913 119 V CB 1.324 33.066 31.823 -0.134 0.000 0.992 119 V HN 1.326 nan 8.190 nan 0.000 0.449 120 A N 3.059 125.578 122.820 -0.502 0.000 2.340 120 A HA 0.154 4.474 4.320 0.001 0.000 0.213 120 A C 1.584 178.911 177.584 -0.429 0.000 1.299 120 A CA 0.556 52.070 52.037 -0.873 0.000 0.994 120 A CB -0.211 18.140 19.000 -1.082 0.000 1.132 120 A HN 0.777 nan 8.150 nan 0.000 0.519 121 N N 0.702 119.225 118.700 -0.295 0.000 2.188 121 N HA -0.079 4.662 4.740 0.001 0.000 0.184 121 N C 0.531 176.015 175.510 -0.043 0.000 1.018 121 N CA 1.665 54.642 53.050 -0.123 0.000 0.858 121 N CB -0.034 38.521 38.487 0.113 0.000 0.989 121 N HN 0.747 nan 8.380 nan 0.000 0.426 122 H N -3.673 115.377 119.070 -0.033 0.000 2.948 122 H HA 0.306 4.862 4.556 0.001 0.000 0.315 122 H C -0.904 174.427 175.328 0.005 0.000 1.360 122 H CA -0.995 55.019 56.048 -0.057 0.000 1.125 122 H CB 0.482 30.206 29.762 -0.062 0.000 1.844 122 H HN -0.189 nan 8.280 nan 0.000 0.529 123 M N 0.678 120.334 119.600 0.093 0.000 2.753 123 M HA 0.521 5.001 4.480 0.001 0.000 0.299 123 M C 0.569 176.979 176.300 0.184 0.000 1.219 123 M CA -0.513 54.809 55.300 0.037 0.000 0.900 123 M CB 1.765 34.098 32.600 -0.445 0.000 1.628 123 M HN 0.823 nan 8.290 nan 0.000 0.502 124 G N -0.048 108.926 108.800 0.290 0.000 2.482 124 G HA2 0.654 4.615 3.960 0.001 0.000 0.317 124 G HA3 0.654 4.615 3.960 0.001 0.000 0.317 124 G C -2.404 172.698 174.900 0.336 0.000 1.241 124 G CA -0.215 45.028 45.100 0.238 0.000 0.967 124 G HN 0.611 nan 8.290 nan 0.000 0.482 125 Y N 0.974 121.283 120.300 0.015 0.000 2.482 125 Y HA 0.371 4.922 4.550 0.001 0.000 0.334 125 Y C -1.219 174.618 175.900 -0.105 0.000 1.091 125 Y CA -1.044 57.066 58.100 0.017 0.000 1.027 125 Y CB 2.497 41.010 38.460 0.088 0.000 1.306 125 Y HN 0.565 nan 8.280 nan 0.000 0.446 126 D N 3.705 123.770 120.400 -0.559 0.000 2.470 126 D HA 0.507 5.148 4.640 0.001 0.000 0.226 126 D C 0.079 176.238 176.300 -0.236 0.000 1.196 126 D CA 1.453 55.236 54.000 -0.362 0.000 0.979 126 D CB -0.233 40.367 40.800 -0.333 0.000 1.059 126 D HN 0.968 nan 8.370 nan 0.000 0.515 127 G N 0.972 109.760 108.800 -0.020 0.000 2.341 127 G HA2 0.453 4.414 3.960 0.001 0.000 0.293 127 G HA3 0.453 4.414 3.960 0.001 0.000 0.293 127 G C -1.181 173.787 174.900 0.114 0.000 1.298 127 G CA -0.351 44.788 45.100 0.066 0.000 0.868 127 G HN 0.490 nan 8.290 nan 0.000 0.540 128 A N -0.331 122.516 122.820 0.046 0.000 2.440 128 A HA 0.592 4.913 4.320 0.001 0.000 0.251 128 A C 1.770 179.235 177.584 -0.198 0.000 1.089 128 A CA 1.199 53.223 52.037 -0.022 0.000 0.779 128 A CB 0.560 19.539 19.000 -0.035 0.000 1.022 128 A HN 2.293 nan 8.150 nan 0.000 0.492 129 G N 1.070 109.606 108.800 -0.440 0.000 2.479 129 G HA2 -0.155 3.806 3.960 0.001 0.000 0.220 129 G HA3 -0.155 3.806 3.960 0.001 0.000 0.220 129 G C 1.568 175.870 174.900 -0.997 0.000 1.115 129 G CA 1.274 45.879 45.100 -0.824 0.000 0.757 129 G HN 0.675 nan 8.290 nan 0.000 0.560 130 S N 0.133 115.276 115.700 -0.929 0.000 2.423 130 S HA -0.068 4.403 4.470 0.001 0.000 0.231 130 S C 2.365 176.780 174.600 -0.309 0.000 1.014 130 S CA 1.412 59.280 58.200 -0.553 0.000 0.965 130 S CB -0.125 62.862 63.200 -0.355 0.000 0.785 130 S HN 0.593 nan 8.310 nan 0.000 0.495 131 S N 0.515 116.058 115.700 -0.263 0.000 2.575 131 S HA 0.280 4.751 4.470 0.001 0.000 0.237 131 S C 0.243 174.683 174.600 -0.267 0.000 0.975 131 S CA -0.536 57.560 58.200 -0.175 0.000 0.960 131 S CB -0.092 63.062 63.200 -0.076 0.000 0.822 131 S HN 0.052 nan 8.310 nan 0.000 0.472 132 V N 2.673 122.282 119.914 -0.508 0.000 2.872 132 V HA 0.158 4.279 4.120 0.001 0.000 0.307 132 V C 0.375 175.968 176.094 -0.836 0.000 1.072 132 V CA 0.103 61.749 62.300 -1.090 0.000 1.148 132 V CB 0.742 31.828 31.823 -1.229 0.000 0.954 132 V HN 0.503 nan 8.190 nan 0.000 0.490 133 D N 2.745 122.614 120.400 -0.886 0.000 2.477 133 D HA 0.222 4.862 4.640 0.001 0.000 0.239 133 D C 0.402 176.411 176.300 -0.484 0.000 1.102 133 D CA -0.404 53.373 54.000 -0.373 0.000 0.901 133 D CB 0.343 41.084 40.800 -0.099 0.000 1.026 133 D HN 0.481 nan 8.370 nan 0.000 0.515 134 Y N 1.210 121.347 120.300 -0.273 0.000 2.651 134 Y HA -0.140 4.410 4.550 0.001 0.000 0.296 134 Y C 2.538 178.396 175.900 -0.070 0.000 1.150 134 Y CA 0.891 58.919 58.100 -0.120 0.000 1.348 134 Y CB -0.109 38.391 38.460 0.067 0.000 0.983 134 Y HN 0.372 nan 8.280 nan 0.000 0.555 135 S N -1.001 114.700 115.700 0.001 0.000 2.561 135 S HA -0.061 4.409 4.470 0.001 0.000 0.225 135 S C 1.566 176.135 174.600 -0.051 0.000 0.977 135 S CA 0.803 59.021 58.200 0.030 0.000 0.926 135 S CB -0.655 62.564 63.200 0.031 0.000 0.769 135 S HN 0.202 nan 8.310 nan 0.000 0.533 136 V N 0.037 119.788 119.914 -0.272 0.000 2.951 136 V HA 0.265 4.385 4.120 0.001 0.000 0.255 136 V C 0.705 176.724 176.094 -0.126 0.000 1.088 136 V CA 0.044 62.203 62.300 -0.236 0.000 1.109 136 V CB -1.210 30.433 31.823 -0.300 0.000 0.724 136 V HN 0.377 nan 8.190 nan 0.000 0.471 137 F N 1.801 121.865 119.950 0.189 0.000 2.518 137 F HA 0.432 4.959 4.527 0.001 0.000 0.359 137 F C 0.546 176.432 175.800 0.143 0.000 1.118 137 F CA -0.640 57.489 58.000 0.214 0.000 1.287 137 F CB 0.199 39.419 39.000 0.366 0.000 1.132 137 F HN -0.022 nan 8.300 nan 0.000 0.587 138 K N 5.412 125.987 120.400 0.291 0.000 2.579 138 K HA 0.344 4.665 4.320 0.001 0.000 0.250 138 K C -2.519 174.061 176.600 -0.035 0.000 0.952 138 K CA -1.597 54.755 56.287 0.108 0.000 0.857 138 K CB 2.125 34.703 32.500 0.131 0.000 1.123 138 K HN 0.220 nan 8.250 nan 0.000 0.433 139 P HA 0.139 nan 4.420 nan 0.000 0.266 139 P C -0.630 176.335 177.300 -0.558 0.000 1.381 139 P CA -0.212 62.639 63.100 -0.415 0.000 0.940 139 P CB 0.016 31.438 31.700 -0.465 0.000 1.435 140 F N 0.440 120.283 119.950 -0.178 0.000 2.606 140 F HA 0.268 4.795 4.527 0.001 0.000 0.347 140 F C 1.717 177.824 175.800 0.511 0.000 1.207 140 F CA -0.063 57.779 58.000 -0.264 0.000 1.306 140 F CB -0.456 38.213 39.000 -0.551 0.000 1.657 140 F HN -0.147 nan 8.300 nan 0.000 0.606 141 S N 0.021 116.069 115.700 0.580 0.000 2.660 141 S HA 0.054 4.524 4.470 0.001 0.000 0.228 141 S C 0.494 175.378 174.600 0.474 0.000 0.966 141 S CA 0.198 58.694 58.200 0.492 0.000 0.940 141 S CB -0.233 63.143 63.200 0.293 0.000 0.773 141 S HN 0.381 nan 8.310 nan 0.000 0.535 142 S N 0.329 116.380 115.700 0.584 0.000 2.549 142 S HA 0.248 4.719 4.470 0.001 0.000 0.280 142 S C 0.400 175.042 174.600 0.069 0.000 1.109 142 S CA -0.981 57.353 58.200 0.223 0.000 0.905 142 S CB 1.816 64.992 63.200 -0.039 0.000 1.081 142 S HN 0.365 nan 8.310 nan 0.000 0.477 143 Q N 0.554 120.067 119.800 -0.477 0.000 2.488 143 Q HA 0.004 4.345 4.340 0.001 0.000 0.211 143 Q C 0.391 176.299 176.000 -0.154 0.000 0.967 143 Q CA 1.328 56.577 55.803 -0.924 0.000 0.926 143 Q CB -0.251 27.635 28.738 -1.421 0.000 0.992 143 Q HN 0.537 nan 8.270 nan 0.000 0.506 144 D N -0.013 120.305 120.400 -0.137 0.000 2.219 144 D HA -0.128 4.513 4.640 0.001 0.000 0.205 144 D C 0.572 176.783 176.300 -0.149 0.000 0.970 144 D CA 0.919 54.816 54.000 -0.173 0.000 0.851 144 D CB 0.002 40.643 40.800 -0.265 0.000 0.943 144 D HN 0.404 nan 8.370 nan 0.000 0.488 145 Y N -0.765 119.557 120.300 0.036 0.000 2.578 145 Y HA 0.086 4.636 4.550 0.001 0.000 0.297 145 Y C 0.175 175.779 175.900 -0.493 0.000 1.176 145 Y CA 0.170 58.148 58.100 -0.203 0.000 1.315 145 Y CB -0.254 38.066 38.460 -0.234 0.000 1.031 145 Y HN -0.202 nan 8.280 nan 0.000 0.524 146 F N -1.955 117.963 119.950 -0.052 0.000 2.551 146 F HA 0.374 4.902 4.527 0.001 0.000 0.316 146 F C 0.210 176.011 175.800 0.000 0.000 1.089 146 F CA -1.845 56.120 58.000 -0.057 0.000 0.915 146 F CB 0.733 39.784 39.000 0.084 0.000 1.186 146 F HN -0.173 nan 8.300 nan 0.000 0.456 147 H N 1.824 121.063 119.070 0.282 0.000 2.852 147 H HA 0.154 4.711 4.556 0.001 0.000 0.362 147 H C -2.145 173.433 175.328 0.418 0.000 1.122 147 H CA -0.637 55.572 56.048 0.269 0.000 1.419 147 H CB 0.201 30.113 29.762 0.250 0.000 1.401 147 H HN 0.269 nan 8.280 nan 0.000 0.609 148 P HA -0.064 nan 4.420 nan 0.000 0.272 148 P C -0.590 176.782 177.300 0.119 0.000 1.223 148 P CA -0.221 63.032 63.100 0.256 0.000 0.784 148 P CB 0.396 32.161 31.700 0.109 0.000 0.923 149 F N 3.979 123.727 119.950 -0.337 0.000 2.571 149 F HA 0.220 4.747 4.527 0.001 0.000 0.390 149 F C 0.314 175.694 175.800 -0.701 0.000 1.043 149 F CA 0.306 57.705 58.000 -1.002 0.000 1.164 149 F CB -0.592 37.812 39.000 -0.993 0.000 1.049 149 F HN 0.466 nan 8.300 nan 0.000 0.552 150 c N 4.237 121.830 118.600 -1.678 0.000 3.303 150 c HA 0.644 5.215 4.570 0.001 0.000 0.340 150 c C -1.430 172.046 174.090 -1.022 0.000 1.274 150 c CA -1.559 54.071 56.329 -1.166 0.000 1.234 150 c CB 0.580 42.791 42.510 -0.499 0.000 1.532 150 c HN 0.617 nan 8.230 nan 0.000 0.483 151 F N 1.102 120.732 119.950 -0.533 0.000 2.480 151 F HA 0.705 5.233 4.527 0.001 0.000 0.329 151 F C 0.413 176.118 175.800 -0.158 0.000 1.091 151 F CA -1.547 56.309 58.000 -0.240 0.000 0.972 151 F CB 1.462 40.350 39.000 -0.187 0.000 1.150 151 F HN 0.522 nan 8.300 nan 0.000 0.467 152 I N 3.399 124.022 120.570 0.090 0.000 2.494 152 I HA 0.047 4.218 4.170 0.001 0.000 0.289 152 I C 1.077 177.148 176.117 -0.077 0.000 1.106 152 I CA 0.630 61.859 61.300 -0.118 0.000 1.369 152 I CB 0.464 38.229 38.000 -0.392 0.000 1.410 152 I HN 0.656 nan 8.210 nan 0.000 0.523 153 Q N 3.457 123.219 119.800 -0.063 0.000 2.259 153 Q HA 0.074 4.415 4.340 0.001 0.000 0.201 153 Q C 0.405 176.413 176.000 0.013 0.000 0.938 153 Q CA 0.571 56.373 55.803 -0.001 0.000 0.872 153 Q CB 0.279 29.017 28.738 0.000 0.000 0.971 153 Q HN 0.598 nan 8.270 nan 0.000 0.494 154 N N -0.729 117.942 118.700 -0.048 0.000 2.448 154 N HA 0.083 4.823 4.740 0.001 0.000 0.279 154 N C -0.862 174.592 175.510 -0.093 0.000 1.025 154 N CA -0.249 52.798 53.050 -0.006 0.000 0.898 154 N CB 0.719 39.203 38.487 -0.005 0.000 1.303 154 N HN -0.047 nan 8.380 nan 0.000 0.495 155 Y N 1.137 121.430 120.300 -0.012 0.000 2.544 155 Y HA 0.090 4.640 4.550 0.001 0.000 0.286 155 Y C 1.424 177.292 175.900 -0.054 0.000 1.141 155 Y CA 0.580 58.663 58.100 -0.027 0.000 1.299 155 Y CB 0.554 38.984 38.460 -0.050 0.000 1.030 155 Y HN 0.566 nan 8.280 nan 0.000 0.543 156 E N -0.478 119.772 120.200 0.083 0.000 2.371 156 E HA -0.089 4.262 4.350 0.001 0.000 0.194 156 E C 0.025 176.638 176.600 0.022 0.000 1.012 156 E CA 0.435 56.855 56.400 0.032 0.000 0.860 156 E CB -0.166 29.545 29.700 0.019 0.000 0.811 156 E HN 0.285 nan 8.360 nan 0.000 0.502 157 D N 1.470 121.870 120.400 0.001 0.000 2.411 157 D HA 0.016 4.656 4.640 0.001 0.000 0.225 157 D C 0.839 177.130 176.300 -0.013 0.000 1.156 157 D CA -0.193 53.801 54.000 -0.011 0.000 0.874 157 D CB 1.224 42.006 40.800 -0.029 0.000 1.034 157 D HN -0.204 nan 8.370 nan 0.000 0.502 158 Q N 2.223 122.041 119.800 0.030 0.000 2.369 158 Q HA -0.067 4.274 4.340 0.001 0.000 0.206 158 Q C 1.513 177.526 176.000 0.023 0.000 0.963 158 Q CA 1.285 57.121 55.803 0.055 0.000 0.894 158 Q CB 0.036 28.849 28.738 0.125 0.000 0.965 158 Q HN 0.449 nan 8.270 nan 0.000 0.475 159 T N -0.890 113.664 114.554 -0.000 0.000 2.978 159 T HA -0.070 4.281 4.350 0.001 0.000 0.262 159 T C 1.445 176.114 174.700 -0.052 0.000 1.063 159 T CA 1.111 63.201 62.100 -0.016 0.000 1.140 159 T CB -0.028 68.834 68.868 -0.010 0.000 0.886 159 T HN 0.498 nan 8.240 nan 0.000 0.470 160 Q N 0.250 120.012 119.800 -0.064 0.000 2.172 160 Q HA -0.024 4.317 4.340 0.001 0.000 0.200 160 Q C 2.139 178.074 176.000 -0.107 0.000 0.964 160 Q CA 0.979 56.726 55.803 -0.092 0.000 0.855 160 Q CB -0.058 28.623 28.738 -0.096 0.000 0.918 160 Q HN 0.364 nan 8.270 nan 0.000 0.444 161 V N 1.385 121.231 119.914 -0.114 0.000 2.626 161 V HA -0.195 3.925 4.120 0.001 0.000 0.252 161 V C 1.541 177.672 176.094 0.062 0.000 1.067 161 V CA 1.968 64.198 62.300 -0.116 0.000 1.081 161 V CB -0.216 31.534 31.823 -0.122 0.000 0.686 161 V HN 0.392 nan 8.190 nan 0.000 0.468 162 E N -1.244 118.969 120.200 0.022 0.000 2.364 162 E HA -0.046 4.304 4.350 0.001 0.000 0.196 162 E C 1.212 177.755 176.600 -0.095 0.000 0.990 162 E CA 0.485 56.906 56.400 0.035 0.000 0.886 162 E CB 0.202 29.913 29.700 0.018 0.000 0.866 162 E HN 0.472 nan 8.360 nan 0.000 0.493 163 D N -0.471 119.810 120.400 -0.198 0.000 2.423 163 D HA 0.081 4.722 4.640 0.001 0.000 0.212 163 D C 0.315 176.462 176.300 -0.255 0.000 1.060 163 D CA 0.137 53.815 54.000 -0.537 0.000 0.872 163 D CB 0.413 40.968 40.800 -0.408 0.000 1.012 163 D HN 0.027 nan 8.370 nan 0.000 0.503 164 c N 0.573 119.148 118.600 -0.042 0.000 2.345 164 c HA 0.364 4.934 4.570 0.001 0.000 0.369 164 c C -0.019 174.252 174.090 0.302 0.000 1.273 164 c CA -0.857 55.538 56.329 0.109 0.000 2.310 164 c CB 0.142 42.639 42.510 -0.021 0.000 2.219 164 c HN 0.223 nan 8.230 nan 0.000 0.587 165 W N 1.354 122.652 121.300 -0.003 0.000 2.316 165 W HA 0.618 5.278 4.660 0.001 0.000 0.321 165 W C 0.110 176.729 176.519 0.167 0.000 1.203 165 W CA -0.548 56.862 57.345 0.108 0.000 1.214 165 W CB -0.226 29.329 29.460 0.159 0.000 1.169 165 W HN 0.407 nan 8.180 nan 0.000 0.561 166 L N 2.377 123.735 121.223 0.224 0.000 2.490 166 L HA 0.745 5.085 4.340 0.001 0.000 0.245 166 L C 1.330 178.321 176.870 0.203 0.000 1.185 166 L CA 0.217 55.113 54.840 0.093 0.000 0.813 166 L CB -0.108 41.827 42.059 -0.206 0.000 1.233 166 L HN 0.710 nan 8.230 nan 0.000 0.489 167 G N 0.536 109.383 108.800 0.078 0.000 2.615 167 G HA2 -0.101 3.860 3.960 0.001 0.000 0.218 167 G HA3 -0.101 3.860 3.960 0.001 0.000 0.218 167 G C -1.326 173.542 174.900 -0.054 0.000 1.339 167 G CA 0.018 45.178 45.100 0.099 0.000 0.884 167 G HN 0.965 nan 8.290 nan 0.000 0.559 168 D N -2.507 117.914 120.400 0.034 0.000 3.057 168 D HA 0.315 4.956 4.640 0.001 0.000 0.328 168 D C 1.324 177.817 176.300 0.321 0.000 1.317 168 D CA 0.116 53.949 54.000 -0.279 0.000 0.973 168 D CB -0.488 40.183 40.800 -0.215 0.000 1.424 168 D HN 0.557 nan 8.370 nan 0.000 0.569 169 N N -0.780 118.063 118.700 0.238 0.000 2.381 169 N HA -0.099 4.641 4.740 0.001 0.000 0.182 169 N C 0.818 176.384 175.510 0.094 0.000 1.025 169 N CA 1.218 54.415 53.050 0.245 0.000 0.888 169 N CB -0.259 38.337 38.487 0.182 0.000 0.965 169 N HN 0.373 nan 8.380 nan 0.000 0.438 170 T N 0.600 115.170 114.554 0.027 0.000 2.980 170 T HA 0.138 4.489 4.350 0.001 0.000 0.239 170 T C 0.780 175.376 174.700 -0.173 0.000 1.011 170 T CA 0.249 62.263 62.100 -0.143 0.000 1.171 170 T CB 0.359 68.996 68.868 -0.386 0.000 0.873 170 T HN -0.060 nan 8.240 nan 0.000 0.431 171 V N 3.316 123.170 119.914 -0.101 0.000 2.376 171 V HA 0.490 4.611 4.120 0.001 0.000 0.287 171 V C -0.357 175.745 176.094 0.013 0.000 1.015 171 V CA -0.953 61.254 62.300 -0.155 0.000 0.834 171 V CB 1.383 32.996 31.823 -0.350 0.000 1.001 171 V HN 0.506 nan 8.190 nan 0.000 0.428 172 S N 5.992 121.749 115.700 0.096 0.000 2.578 172 S HA 0.801 5.272 4.470 0.001 0.000 0.283 172 S C -0.652 174.049 174.600 0.169 0.000 1.195 172 S CA -0.767 57.625 58.200 0.320 0.000 1.050 172 S CB 1.554 65.035 63.200 0.469 0.000 1.012 172 S HN 0.500 nan 8.310 nan 0.000 0.511 173 L N 2.046 123.379 121.223 0.183 0.000 2.384 173 L HA 0.400 4.740 4.340 0.001 0.000 0.261 173 L C -2.713 173.940 176.870 -0.362 0.000 1.024 173 L CA -2.258 52.547 54.840 -0.058 0.000 0.899 173 L CB 1.195 43.147 42.059 -0.177 0.000 1.243 173 L HN 0.402 nan 8.230 nan 0.000 0.449 174 P HA -0.098 nan 4.420 nan 0.000 0.256 174 P C -0.644 176.294 177.300 -0.603 0.000 1.173 174 P CA 0.342 62.717 63.100 -1.209 0.000 0.768 174 P CB 0.358 31.558 31.700 -0.833 0.000 0.758 175 D N 3.365 123.223 120.400 -0.903 0.000 2.316 175 D HA 0.225 4.865 4.640 0.001 0.000 0.245 175 D C -0.220 176.073 176.300 -0.011 0.000 1.171 175 D CA -0.326 53.526 54.000 -0.246 0.000 0.856 175 D CB 0.233 40.938 40.800 -0.157 0.000 1.090 175 D HN 0.141 nan 8.370 nan 0.000 0.476 176 L N 3.065 124.167 121.223 -0.202 0.000 2.461 176 L HA 0.157 4.497 4.340 0.001 0.000 0.272 176 L C 0.597 177.263 176.870 -0.340 0.000 1.197 176 L CA 0.082 54.621 54.840 -0.503 0.000 0.836 176 L CB 0.529 42.146 42.059 -0.737 0.000 1.105 176 L HN 0.444 nan 8.230 nan 0.000 0.477 177 D N 0.632 120.673 120.400 -0.598 0.000 2.500 177 D HA 0.061 4.702 4.640 0.001 0.000 0.219 177 D C 1.043 177.114 176.300 -0.381 0.000 1.137 177 D CA -0.231 53.296 54.000 -0.788 0.000 0.946 177 D CB 0.760 41.044 40.800 -0.860 0.000 1.022 177 D HN 0.624 nan 8.370 nan 0.000 0.518 178 T N -0.646 113.741 114.554 -0.277 0.000 3.118 178 T HA -0.071 4.279 4.350 0.001 0.000 0.260 178 T C 1.697 176.368 174.700 -0.048 0.000 1.139 178 T CA 0.435 62.387 62.100 -0.247 0.000 1.085 178 T CB -0.055 68.429 68.868 -0.639 0.000 0.934 178 T HN 0.159 nan 8.240 nan 0.000 0.518 179 T N 1.825 116.355 114.554 -0.040 0.000 2.833 179 T HA -0.011 4.340 4.350 0.001 0.000 0.269 179 T C 0.891 175.591 174.700 0.001 0.000 1.054 179 T CA 0.893 63.000 62.100 0.012 0.000 1.135 179 T CB -0.197 68.687 68.868 0.028 0.000 0.869 179 T HN 0.685 nan 8.240 nan 0.000 0.466 180 K N 1.656 122.033 120.400 -0.038 0.000 2.201 180 K HA 0.138 4.459 4.320 0.001 0.000 0.278 180 K C 0.129 176.731 176.600 0.003 0.000 1.027 180 K CA -0.348 55.928 56.287 -0.018 0.000 0.909 180 K CB 0.964 33.442 32.500 -0.035 0.000 1.062 180 K HN -0.065 nan 8.250 nan 0.000 0.465 181 D N 2.502 122.910 120.400 0.012 0.000 2.322 181 D HA -0.140 4.501 4.640 0.001 0.000 0.210 181 D C 1.447 177.757 176.300 0.018 0.000 0.983 181 D CA 1.231 55.238 54.000 0.012 0.000 0.902 181 D CB 0.326 41.139 40.800 0.022 0.000 0.905 181 D HN 0.450 nan 8.370 nan 0.000 0.483 182 V N 0.094 120.035 119.914 0.044 0.000 2.346 182 V HA -0.165 3.955 4.120 0.001 0.000 0.244 182 V C 2.660 178.815 176.094 0.100 0.000 1.037 182 V CA 0.653 63.010 62.300 0.095 0.000 1.029 182 V CB -0.663 31.259 31.823 0.165 0.000 0.663 182 V HN 0.008 nan 8.190 nan 0.000 0.454 183 V N 0.101 120.055 119.914 0.067 0.000 2.219 183 V HA -0.367 3.753 4.120 0.001 0.000 0.248 183 V C 2.556 178.694 176.094 0.072 0.000 1.053 183 V CA 2.620 64.897 62.300 -0.039 0.000 1.009 183 V CB -0.773 30.933 31.823 -0.194 0.000 0.636 183 V HN 0.460 nan 8.190 nan 0.000 0.445 184 K N 0.149 120.586 120.400 0.062 0.000 2.030 184 K HA -0.268 4.053 4.320 0.001 0.000 0.222 184 K C 1.976 178.291 176.600 -0.474 0.000 1.056 184 K CA 2.435 58.606 56.287 -0.192 0.000 0.957 184 K CB -0.566 31.760 32.500 -0.291 0.000 0.727 184 K HN 0.422 nan 8.250 nan 0.000 0.452 185 N N 0.254 118.836 118.700 -0.196 0.000 2.021 185 N HA -0.213 4.528 4.740 0.001 0.000 0.198 185 N C 1.717 177.269 175.510 0.070 0.000 1.041 185 N CA 1.705 54.724 53.050 -0.050 0.000 0.862 185 N CB -0.454 38.043 38.487 0.017 0.000 1.048 185 N HN 0.232 nan 8.380 nan 0.000 0.427 186 E N -0.161 120.095 120.200 0.092 0.000 2.058 186 E HA -0.130 4.220 4.350 0.001 0.000 0.194 186 E C 2.037 178.844 176.600 0.345 0.000 0.997 186 E CA 1.399 57.883 56.400 0.139 0.000 0.801 186 E CB -0.475 29.209 29.700 -0.026 0.000 0.746 186 E HN 0.495 nan 8.360 nan 0.000 0.450 187 W N -0.719 120.752 121.300 0.285 0.000 2.335 187 W HA -0.268 4.393 4.660 0.001 0.000 0.311 187 W C 1.972 178.774 176.519 0.472 0.000 1.213 187 W CA 0.793 58.402 57.345 0.439 0.000 1.274 187 W CB -0.265 29.527 29.460 0.554 0.000 1.148 187 W HN 0.194 nan 8.180 nan 0.000 0.498 188 Y N -0.055 120.472 120.300 0.379 0.000 2.224 188 Y HA -0.264 4.287 4.550 0.001 0.000 0.289 188 Y C 2.252 178.225 175.900 0.122 0.000 1.146 188 Y CA 1.033 59.198 58.100 0.109 0.000 1.182 188 Y CB -1.615 36.857 38.460 0.019 0.000 0.983 188 Y HN 0.112 nan 8.280 nan 0.000 0.524 189 D N -0.943 119.685 120.400 0.379 0.000 2.084 189 D HA -0.238 4.402 4.640 0.001 0.000 0.194 189 D C 2.117 178.598 176.300 0.302 0.000 0.990 189 D CA 1.416 55.585 54.000 0.282 0.000 0.826 189 D CB -0.363 40.600 40.800 0.271 0.000 0.971 189 D HN 0.423 nan 8.370 nan 0.000 0.453 190 W N 1.600 123.059 121.300 0.264 0.000 2.333 190 W HA -0.238 4.422 4.660 0.001 0.000 0.316 190 W C 2.285 178.912 176.519 0.180 0.000 1.215 190 W CA 1.951 59.448 57.345 0.253 0.000 1.278 190 W CB -0.889 28.760 29.460 0.315 0.000 1.154 190 W HN -0.132 nan 8.180 nan 0.000 0.486 191 V N 1.632 121.637 119.914 0.151 0.000 2.250 191 V HA -0.274 3.847 4.120 0.001 0.000 0.250 191 V C 2.322 178.227 176.094 -0.315 0.000 1.060 191 V CA 2.857 65.002 62.300 -0.258 0.000 1.030 191 V CB -1.528 30.139 31.823 -0.259 0.000 0.643 191 V HN 0.401 nan 8.190 nan 0.000 0.445 192 G N -1.016 107.687 108.800 -0.162 0.000 2.469 192 G HA2 -0.286 3.674 3.960 0.001 0.000 0.219 192 G HA3 -0.286 3.674 3.960 0.001 0.000 0.219 192 G C 1.732 176.562 174.900 -0.118 0.000 1.150 192 G CA 1.396 46.425 45.100 -0.118 0.000 0.763 192 G HN 0.632 nan 8.290 nan 0.000 0.561 193 S N 0.526 116.157 115.700 -0.115 0.000 2.395 193 S HA 0.060 4.531 4.470 0.001 0.000 0.225 193 S C 2.113 176.619 174.600 -0.156 0.000 1.027 193 S CA 0.571 58.714 58.200 -0.094 0.000 0.965 193 S CB -0.245 62.949 63.200 -0.009 0.000 0.812 193 S HN 0.238 nan 8.310 nan 0.000 0.482 194 L N 2.546 123.572 121.223 -0.327 0.000 2.042 194 L HA -0.051 4.290 4.340 0.001 0.000 0.210 194 L C 2.211 179.039 176.870 -0.071 0.000 1.076 194 L CA 1.682 56.356 54.840 -0.277 0.000 0.749 194 L CB -1.145 40.437 42.059 -0.795 0.000 0.893 194 L HN 0.202 nan 8.230 nan 0.000 0.432 195 V N 0.131 119.958 119.914 -0.145 0.000 2.255 195 V HA -0.289 3.832 4.120 0.001 0.000 0.247 195 V C 2.763 178.836 176.094 -0.035 0.000 1.051 195 V CA 1.981 64.241 62.300 -0.067 0.000 1.018 195 V CB -0.466 31.302 31.823 -0.090 0.000 0.641 195 V HN 0.509 nan 8.190 nan 0.000 0.445 196 S N 0.616 116.274 115.700 -0.069 0.000 2.370 196 S HA -0.218 4.253 4.470 0.001 0.000 0.226 196 S C 1.766 176.306 174.600 -0.099 0.000 1.033 196 S CA 1.777 59.936 58.200 -0.068 0.000 1.011 196 S CB -0.525 62.634 63.200 -0.070 0.000 0.852 196 S HN 0.621 nan 8.310 nan 0.000 0.457 197 N N 0.147 118.749 118.700 -0.164 0.000 2.396 197 N HA 0.007 4.748 4.740 0.001 0.000 0.180 197 N C 0.620 175.803 175.510 -0.545 0.000 1.028 197 N CA 0.921 53.741 53.050 -0.383 0.000 0.893 197 N CB -0.146 38.042 38.487 -0.497 0.000 0.967 197 N HN 0.530 nan 8.380 nan 0.000 0.440 198 Y N -0.442 119.818 120.300 -0.066 0.000 2.527 198 Y HA 0.265 4.816 4.550 0.001 0.000 0.247 198 Y C 0.159 176.031 175.900 -0.046 0.000 1.138 198 Y CA -0.418 57.637 58.100 -0.075 0.000 1.228 198 Y CB 0.118 38.505 38.460 -0.122 0.000 1.252 198 Y HN -0.196 nan 8.280 nan 0.000 0.531 199 S N 1.531 117.280 115.700 0.082 0.000 3.727 199 S HA -0.166 4.305 4.470 0.001 0.000 0.444 199 S C -0.223 174.489 174.600 0.186 0.000 0.867 199 S CA 0.587 58.861 58.200 0.125 0.000 1.324 199 S CB -2.646 60.671 63.200 0.195 0.000 0.890 199 S HN 0.539 nan 8.310 nan 0.000 0.599 200 I N -2.129 118.514 120.570 0.123 0.000 2.707 200 I HA 0.563 4.733 4.170 0.001 0.000 0.309 200 I C 0.499 176.700 176.117 0.140 0.000 1.001 200 I CA -0.880 60.502 61.300 0.136 0.000 1.129 200 I CB 1.334 39.380 38.000 0.077 0.000 1.308 200 I HN 0.041 nan 8.210 nan 0.000 0.466 201 D N 2.937 123.460 120.400 0.205 0.000 2.346 201 D HA 0.243 4.883 4.640 0.001 0.000 0.206 201 D C 0.777 177.365 176.300 0.479 0.000 1.001 201 D CA 0.583 54.692 54.000 0.182 0.000 0.871 201 D CB 1.235 41.925 40.800 -0.184 0.000 0.943 201 D HN 0.843 nan 8.370 nan 0.000 0.518 202 G N 0.055 109.049 108.800 0.323 0.000 2.623 202 G HA2 0.560 4.520 3.960 0.001 0.000 0.290 202 G HA3 0.560 4.520 3.960 0.001 0.000 0.290 202 G C -1.829 172.968 174.900 -0.172 0.000 1.437 202 G CA -0.684 44.396 45.100 -0.033 0.000 0.798 202 G HN -0.007 nan 8.290 nan 0.000 0.488 203 L N 0.691 121.712 121.223 -0.337 0.000 2.386 203 L HA 0.645 4.986 4.340 0.001 0.000 0.271 203 L C -0.028 176.532 176.870 -0.516 0.000 0.993 203 L CA -1.083 53.574 54.840 -0.304 0.000 0.819 203 L CB 2.319 44.282 42.059 -0.160 0.000 1.294 203 L HN 0.397 nan 8.230 nan 0.000 0.414 204 R N 3.749 123.920 120.500 -0.548 0.000 2.294 204 R HA 0.601 4.942 4.340 0.001 0.000 0.319 204 R C -1.268 174.758 176.300 -0.456 0.000 0.984 204 R CA -0.466 55.177 56.100 -0.762 0.000 0.861 204 R CB 1.052 30.514 30.300 -1.397 0.000 1.104 204 R HN 0.606 nan 8.270 nan 0.000 0.451 205 I N 3.207 123.516 120.570 -0.435 0.000 2.378 205 I HA 0.182 4.353 4.170 0.001 0.000 0.291 205 I C 0.224 176.173 176.117 -0.280 0.000 0.992 205 I CA -0.814 60.291 61.300 -0.325 0.000 1.154 205 I CB 1.861 39.591 38.000 -0.450 0.000 1.315 205 I HN 0.530 nan 8.210 nan 0.000 0.448 206 D N 3.280 123.606 120.400 -0.123 0.000 2.383 206 D HA 0.167 4.808 4.640 0.001 0.000 0.248 206 D C 0.574 176.833 176.300 -0.070 0.000 1.170 206 D CA 0.381 54.349 54.000 -0.053 0.000 0.977 206 D CB 0.823 41.692 40.800 0.115 0.000 1.120 206 D HN 0.775 nan 8.370 nan 0.000 0.481 207 T N -1.377 113.174 114.554 -0.005 0.000 3.703 207 T HA -0.225 4.125 4.350 0.001 0.000 0.363 207 T C 1.348 176.109 174.700 0.101 0.000 0.761 207 T CA 0.626 62.803 62.100 0.129 0.000 1.855 207 T CB -2.339 66.662 68.868 0.223 0.000 1.827 207 T HN 0.225 nan 8.240 nan 0.000 0.732 208 V N 1.235 121.076 119.914 -0.121 0.000 2.380 208 V HA -0.289 3.831 4.120 0.001 0.000 0.251 208 V C 2.669 178.722 176.094 -0.068 0.000 1.063 208 V CA 2.470 64.636 62.300 -0.223 0.000 1.055 208 V CB -0.712 30.704 31.823 -0.678 0.000 0.657 208 V HN 1.007 nan 8.190 nan 0.000 0.455 209 K N -1.011 119.278 120.400 -0.184 0.000 2.555 209 K HA -0.117 4.204 4.320 0.001 0.000 0.193 209 K C 1.596 178.157 176.600 -0.066 0.000 1.032 209 K CA 1.286 57.502 56.287 -0.118 0.000 1.004 209 K CB -0.250 32.208 32.500 -0.070 0.000 0.804 209 K HN 0.537 nan 8.250 nan 0.000 0.496 210 H N 0.039 119.200 119.070 0.152 0.000 2.592 210 H HA 0.182 4.738 4.556 0.001 0.000 0.265 210 H C -0.177 175.215 175.328 0.107 0.000 0.955 210 H CA 0.053 56.178 56.048 0.128 0.000 1.175 210 H CB 0.783 30.618 29.762 0.120 0.000 1.433 210 H HN -0.033 nan 8.280 nan 0.000 0.537 211 V N 4.282 124.340 119.914 0.241 0.000 2.435 211 V HA 0.054 4.175 4.120 0.001 0.000 0.290 211 V C 0.515 176.712 176.094 0.170 0.000 1.030 211 V CA -0.912 61.442 62.300 0.089 0.000 0.881 211 V CB 2.006 33.784 31.823 -0.075 0.000 0.983 211 V HN 0.301 nan 8.190 nan 0.000 0.445 212 Q N 4.335 124.175 119.800 0.067 0.000 2.428 212 Q HA 0.026 4.367 4.340 0.001 0.000 0.276 212 Q C 0.773 176.867 176.000 0.157 0.000 1.059 212 Q CA 0.179 56.048 55.803 0.110 0.000 0.923 212 Q CB 0.738 29.517 28.738 0.067 0.000 1.283 212 Q HN 0.622 nan 8.270 nan 0.000 0.447 213 K N 1.569 122.070 120.400 0.169 0.000 2.059 213 K HA -0.263 4.058 4.320 0.001 0.000 0.212 213 K C 1.440 178.156 176.600 0.193 0.000 1.050 213 K CA 2.543 58.946 56.287 0.192 0.000 0.927 213 K CB -0.277 32.232 32.500 0.015 0.000 0.714 213 K HN 0.907 nan 8.250 nan 0.000 0.447 214 D N -0.595 119.874 120.400 0.116 0.000 2.263 214 D HA -0.210 4.431 4.640 0.001 0.000 0.208 214 D C 1.684 178.063 176.300 0.131 0.000 0.971 214 D CA 0.725 54.791 54.000 0.110 0.000 0.867 214 D CB -0.366 40.483 40.800 0.082 0.000 0.929 214 D HN 0.299 nan 8.370 nan 0.000 0.492 215 F N -0.052 119.819 119.950 -0.131 0.000 2.186 215 F HA -0.003 4.525 4.527 0.001 0.000 0.299 215 F C 1.554 177.273 175.800 -0.135 0.000 1.090 215 F CA 0.933 58.819 58.000 -0.189 0.000 1.307 215 F CB -0.352 38.364 39.000 -0.473 0.000 1.019 215 F HN -0.072 nan 8.300 nan 0.000 0.489 216 W N 1.101 122.577 121.300 0.294 0.000 2.342 216 W HA -0.167 4.494 4.660 0.001 0.000 0.297 216 W C -0.431 176.111 176.519 0.038 0.000 1.213 216 W CA 1.004 58.448 57.345 0.164 0.000 1.251 216 W CB -2.018 27.541 29.460 0.164 0.000 1.136 216 W HN 0.096 nan 8.180 nan 0.000 0.526 217 P HA -0.166 nan 4.420 nan 0.000 0.214 217 P C 1.767 179.018 177.300 -0.082 0.000 1.163 217 P CA 2.632 65.775 63.100 0.071 0.000 0.883 217 P CB -0.570 31.165 31.700 0.059 0.000 0.788 218 G N -2.042 106.618 108.800 -0.233 0.000 2.470 218 G HA2 -0.283 3.678 3.960 0.001 0.000 0.220 218 G HA3 -0.283 3.678 3.960 0.001 0.000 0.220 218 G C 1.544 175.842 174.900 -1.003 0.000 1.121 218 G CA 0.336 45.053 45.100 -0.638 0.000 0.766 218 G HN 0.196 nan 8.290 nan 0.000 0.553 219 Y N 1.194 121.003 120.300 -0.818 0.000 2.114 219 Y HA -0.148 4.402 4.550 0.001 0.000 0.284 219 Y C 2.620 178.419 175.900 -0.169 0.000 1.143 219 Y CA 2.123 59.964 58.100 -0.432 0.000 1.135 219 Y CB -0.435 38.079 38.460 0.091 0.000 0.980 219 Y HN 0.318 nan 8.280 nan 0.000 0.499 220 N N -0.271 118.488 118.700 0.099 0.000 2.120 220 N HA -0.245 4.496 4.740 0.001 0.000 0.188 220 N C 2.032 177.494 175.510 -0.080 0.000 1.024 220 N CA 1.112 54.184 53.050 0.037 0.000 0.852 220 N CB -0.210 38.331 38.487 0.091 0.000 1.003 220 N HN 0.301 nan 8.380 nan 0.000 0.424 221 K N 0.409 120.732 120.400 -0.129 0.000 2.057 221 K HA -0.058 4.262 4.320 0.001 0.000 0.206 221 K C 1.917 178.421 176.600 -0.160 0.000 1.050 221 K CA 1.152 57.364 56.287 -0.125 0.000 0.935 221 K CB -0.128 32.295 32.500 -0.129 0.000 0.715 221 K HN 0.205 nan 8.250 nan 0.000 0.439 222 A N 1.052 123.715 122.820 -0.262 0.000 1.933 222 A HA -0.086 4.235 4.320 0.001 0.000 0.218 222 A C 2.333 179.810 177.584 -0.178 0.000 1.175 222 A CA 1.746 53.655 52.037 -0.213 0.000 0.628 222 A CB -0.862 17.978 19.000 -0.267 0.000 0.814 222 A HN 0.474 nan 8.150 nan 0.000 0.444 223 A N -1.346 121.331 122.820 -0.238 0.000 1.892 223 A HA 0.204 4.525 4.320 0.001 0.000 0.218 223 A C 2.296 179.813 177.584 -0.112 0.000 1.188 223 A CA 2.133 54.053 52.037 -0.196 0.000 0.631 223 A CB -1.343 17.541 19.000 -0.193 0.000 0.822 223 A HN 2.064 nan 8.150 nan 0.000 0.447 224 G N -2.133 106.617 108.800 -0.084 0.000 2.160 224 G HA2 -0.016 3.945 3.960 0.001 0.000 0.251 224 G HA3 -0.016 3.945 3.960 0.001 0.000 0.251 224 G C 0.323 175.221 174.900 -0.004 0.000 1.008 224 G CA 0.908 45.983 45.100 -0.042 0.000 0.724 224 G HN 2.037 nan 8.290 nan 0.000 0.514 225 V N -4.390 115.532 119.914 0.012 0.000 3.226 225 V HA 0.795 4.916 4.120 0.001 0.000 0.304 225 V C 0.073 176.225 176.094 0.096 0.000 1.336 225 V CA -1.831 60.518 62.300 0.082 0.000 1.066 225 V CB 1.402 33.277 31.823 0.087 0.000 1.087 225 V HN 1.149 nan 8.190 nan 0.000 0.451 226 Y N 0.959 121.263 120.300 0.007 0.000 2.511 226 Y HA 0.538 5.089 4.550 0.001 0.000 0.332 226 Y C -0.042 175.692 175.900 -0.277 0.000 1.177 226 Y CA -0.445 57.569 58.100 -0.144 0.000 1.422 226 Y CB 0.424 38.717 38.460 -0.277 0.000 1.271 226 Y HN 0.875 nan 8.280 nan 0.000 0.550 227 C N 8.753 127.707 119.300 -0.576 0.000 2.345 227 C HA 0.533 4.994 4.460 0.001 0.000 0.323 227 C C -0.107 174.306 174.990 -0.962 0.000 1.276 227 C CA -1.338 57.289 59.018 -0.652 0.000 1.543 227 C CB -0.359 27.207 27.740 -0.290 0.000 2.211 227 C HN 0.870 nan 8.230 nan 0.000 0.493 228 I N 3.141 123.115 120.570 -0.994 0.000 2.389 228 I HA 0.688 4.859 4.170 0.001 0.000 0.288 228 I C 0.258 176.025 176.117 -0.583 0.000 0.999 228 I CA 0.253 61.080 61.300 -0.789 0.000 1.129 228 I CB 1.156 38.665 38.000 -0.818 0.000 1.288 228 I HN 0.778 nan 8.210 nan 0.000 0.444 229 G N 5.357 113.881 108.800 -0.460 0.000 2.417 229 G HA2 0.269 4.230 3.960 0.001 0.000 0.334 229 G HA3 0.269 4.230 3.960 0.001 0.000 0.334 229 G C -1.088 173.607 174.900 -0.342 0.000 1.150 229 G CA -0.515 44.305 45.100 -0.466 0.000 0.923 229 G HN 0.685 nan 8.290 nan 0.000 0.485 230 E N 1.224 121.234 120.200 -0.317 0.000 2.052 230 E HA 0.279 4.630 4.350 0.001 0.000 0.283 230 E C -0.788 175.692 176.600 -0.199 0.000 1.071 230 E CA -0.280 56.013 56.400 -0.178 0.000 0.851 230 E CB 0.923 30.543 29.700 -0.132 0.000 1.066 230 E HN 0.076 nan 8.360 nan 0.000 0.396 231 V N 7.427 127.253 119.914 -0.147 0.000 2.275 231 V HA 0.161 4.282 4.120 0.001 0.000 0.272 231 V C 0.383 176.423 176.094 -0.090 0.000 1.028 231 V CA -0.491 61.695 62.300 -0.190 0.000 0.810 231 V CB 0.932 32.576 31.823 -0.298 0.000 1.043 231 V HN 0.690 nan 8.190 nan 0.000 0.453 232 L N 4.706 125.808 121.223 -0.202 0.000 2.395 232 L HA 0.441 4.781 4.340 0.001 0.000 0.268 232 L C -0.379 176.311 176.870 -0.300 0.000 1.223 232 L CA 0.461 55.036 54.840 -0.442 0.000 1.093 232 L CB -0.151 41.669 42.059 -0.398 0.000 1.349 232 L HN 0.639 nan 8.230 nan 0.000 0.427 233 D N 1.341 121.637 120.400 -0.172 0.000 2.937 233 D HA 0.169 4.809 4.640 0.001 0.000 0.215 233 D C 0.421 176.843 176.300 0.203 0.000 1.274 233 D CA -0.247 53.732 54.000 -0.034 0.000 0.869 233 D CB 2.245 43.025 40.800 -0.034 0.000 1.675 233 D HN 0.360 nan 8.370 nan 0.000 0.538 234 G N 1.748 110.664 108.800 0.193 0.000 2.777 234 G HA2 -0.045 3.916 3.960 0.001 0.000 0.211 234 G HA3 -0.045 3.916 3.960 0.001 0.000 0.211 234 G C 0.560 175.584 174.900 0.207 0.000 1.149 234 G CA 0.060 45.355 45.100 0.326 0.000 0.785 234 G HN 0.387 nan 8.290 nan 0.000 0.536 235 D N 0.804 121.288 120.400 0.140 0.000 2.325 235 D HA 0.204 4.845 4.640 0.001 0.000 0.251 235 D C -1.138 175.279 176.300 0.195 0.000 1.196 235 D CA -2.409 51.675 54.000 0.139 0.000 0.866 235 D CB 2.101 42.961 40.800 0.100 0.000 1.101 235 D HN 0.002 nan 8.370 nan 0.000 0.476 236 P HA -0.093 nan 4.420 nan 0.000 0.217 236 P C 1.047 178.433 177.300 0.144 0.000 1.150 236 P CA 1.102 64.296 63.100 0.156 0.000 0.832 236 P CB 0.067 31.839 31.700 0.120 0.000 0.787 237 A N -1.331 121.567 122.820 0.130 0.000 1.978 237 A HA -0.221 4.099 4.320 0.001 0.000 0.220 237 A C 2.269 179.948 177.584 0.159 0.000 1.170 237 A CA 1.565 53.670 52.037 0.113 0.000 0.636 237 A CB -1.728 17.329 19.000 0.095 0.000 0.810 237 A HN 0.239 nan 8.150 nan 0.000 0.448 238 Y N -0.179 120.172 120.300 0.084 0.000 2.389 238 Y HA 0.012 4.563 4.550 0.001 0.000 0.292 238 Y C 2.487 178.503 175.900 0.192 0.000 1.117 238 Y CA 1.808 59.974 58.100 0.111 0.000 1.195 238 Y CB -0.040 38.483 38.460 0.103 0.000 1.076 238 Y HN 0.240 nan 8.280 nan 0.000 0.548 239 T N -0.753 114.013 114.554 0.352 0.000 2.894 239 T HA -0.129 4.221 4.350 0.001 0.000 0.258 239 T C 1.978 176.832 174.700 0.257 0.000 1.043 239 T CA 1.383 63.676 62.100 0.322 0.000 1.141 239 T CB -0.823 68.240 68.868 0.325 0.000 0.873 239 T HN 0.428 nan 8.240 nan 0.000 0.449 240 c N 1.899 120.598 118.600 0.164 0.000 2.413 240 c HA -0.026 4.545 4.570 0.001 0.000 0.277 240 c C -0.214 173.914 174.090 0.063 0.000 1.265 240 c CA 0.632 57.027 56.329 0.110 0.000 1.752 240 c CB -1.331 41.231 42.510 0.087 0.000 1.998 240 c HN 0.475 nan 8.230 nan 0.000 0.489 241 P HA -0.110 nan 4.420 nan 0.000 0.219 241 P C 0.796 178.010 177.300 -0.144 0.000 1.146 241 P CA 1.403 64.445 63.100 -0.098 0.000 0.808 241 P CB -0.298 31.299 31.700 -0.172 0.000 0.779 242 Y N -0.227 120.024 120.300 -0.081 0.000 2.483 242 Y HA -0.122 4.428 4.550 0.001 0.000 0.291 242 Y C 2.538 178.411 175.900 -0.045 0.000 1.143 242 Y CA 1.029 59.085 58.100 -0.073 0.000 1.289 242 Y CB -1.090 37.301 38.460 -0.114 0.000 0.983 242 Y HN 0.073 nan 8.280 nan 0.000 0.556 243 Q N 0.258 120.111 119.800 0.088 0.000 2.439 243 Q HA -0.147 4.193 4.340 0.001 0.000 0.211 243 Q C 1.119 177.141 176.000 0.037 0.000 0.978 243 Q CA 0.750 56.589 55.803 0.060 0.000 0.897 243 Q CB -0.031 28.741 28.738 0.057 0.000 0.956 243 Q HN 0.437 nan 8.270 nan 0.000 0.483 244 N N -0.873 117.832 118.700 0.008 0.000 2.461 244 N HA -0.041 4.699 4.740 0.001 0.000 0.188 244 N C 0.576 176.099 175.510 0.023 0.000 1.134 244 N CA 0.398 53.449 53.050 0.000 0.000 0.878 244 N CB 0.934 39.403 38.487 -0.029 0.000 0.972 244 N HN 0.072 nan 8.380 nan 0.000 0.456 245 V N 0.115 120.060 119.914 0.052 0.000 3.398 245 V HA 0.328 4.449 4.120 0.001 0.000 0.298 245 V C -0.111 176.063 176.094 0.134 0.000 1.496 245 V CA 0.130 62.497 62.300 0.112 0.000 1.044 245 V CB 0.394 32.297 31.823 0.134 0.000 0.880 245 V HN 0.173 nan 8.190 nan 0.000 0.443 246 M N -1.830 117.814 119.600 0.072 0.000 2.534 246 M HA 0.365 4.845 4.480 0.001 0.000 0.280 246 M C -0.536 175.768 176.300 0.006 0.000 1.217 246 M CA -0.464 54.847 55.300 0.020 0.000 0.893 246 M CB 1.788 34.346 32.600 -0.069 0.000 1.730 246 M HN -0.094 nan 8.290 nan 0.000 0.483 247 D N 2.033 122.441 120.400 0.013 0.000 2.126 247 D HA 0.023 4.663 4.640 0.001 0.000 0.190 247 D C 0.879 177.254 176.300 0.125 0.000 1.001 247 D CA 2.256 56.320 54.000 0.107 0.000 0.841 247 D CB -0.048 40.910 40.800 0.263 0.000 0.949 247 D HN 0.754 nan 8.370 nan 0.000 0.446 248 G N -1.468 107.347 108.800 0.025 0.000 2.708 248 G HA2 0.566 4.526 3.960 0.001 0.000 0.289 248 G HA3 0.566 4.526 3.960 0.001 0.000 0.289 248 G C -1.184 173.666 174.900 -0.083 0.000 1.416 248 G CA -0.238 44.891 45.100 0.048 0.000 0.829 248 G HN 0.179 nan 8.290 nan 0.000 0.480 249 V N -2.121 117.776 119.914 -0.029 0.000 3.130 249 V HA 0.797 4.918 4.120 0.001 0.000 0.310 249 V C -0.796 175.310 176.094 0.020 0.000 1.158 249 V CA -1.298 60.971 62.300 -0.051 0.000 1.029 249 V CB 1.688 33.508 31.823 -0.005 0.000 1.057 249 V HN 0.674 nan 8.190 nan 0.000 0.436 250 L N 2.045 123.284 121.223 0.025 0.000 2.397 250 L HA 0.371 4.711 4.340 0.001 0.000 0.271 250 L C 0.981 177.986 176.870 0.226 0.000 1.148 250 L CA 0.338 55.246 54.840 0.114 0.000 0.825 250 L CB 0.111 42.179 42.059 0.014 0.000 1.117 250 L HN 0.942 nan 8.230 nan 0.000 0.456 251 N N 2.484 121.320 118.700 0.227 0.000 3.059 251 N HA -0.084 4.656 4.740 0.001 0.000 0.321 251 N C 0.401 175.941 175.510 0.049 0.000 1.224 251 N CA 0.070 53.202 53.050 0.136 0.000 1.197 251 N CB 0.000 38.538 38.487 0.085 0.000 1.453 251 N HN 0.498 nan 8.380 nan 0.000 0.544 252 Y N 0.892 121.336 120.300 0.241 0.000 2.181 252 Y HA -0.114 4.436 4.550 0.001 0.000 0.288 252 Y C -0.662 175.378 175.900 0.234 0.000 1.146 252 Y CA 1.109 59.347 58.100 0.231 0.000 1.164 252 Y CB -0.983 37.660 38.460 0.305 0.000 0.982 252 Y HN 0.487 nan 8.280 nan 0.000 0.515 253 P HA -0.218 nan 4.420 nan 0.000 0.216 253 P C 1.567 178.989 177.300 0.202 0.000 1.153 253 P CA 1.617 64.887 63.100 0.284 0.000 0.858 253 P CB 0.003 31.832 31.700 0.216 0.000 0.789 254 I N -2.261 118.379 120.570 0.118 0.000 2.439 254 I HA -0.203 3.967 4.170 0.001 0.000 0.251 254 I C 2.305 178.388 176.117 -0.057 0.000 1.139 254 I CA 1.222 62.553 61.300 0.052 0.000 1.438 254 I CB -1.179 36.873 38.000 0.086 0.000 1.085 254 I HN -0.037 nan 8.210 nan 0.000 0.427 255 Y N 1.951 122.042 120.300 -0.347 0.000 2.053 255 Y HA -0.349 4.201 4.550 0.001 0.000 0.277 255 Y C 2.584 178.258 175.900 -0.377 0.000 1.159 255 Y CA 1.856 59.609 58.100 -0.578 0.000 1.125 255 Y CB -1.019 36.866 38.460 -0.958 0.000 0.969 255 Y HN 0.103 nan 8.280 nan 0.000 0.492 256 Y N 0.395 120.573 120.300 -0.203 0.000 2.070 256 Y HA -0.194 4.357 4.550 0.001 0.000 0.280 256 Y C -0.042 175.717 175.900 -0.235 0.000 1.148 256 Y CA 2.147 60.086 58.100 -0.268 0.000 1.125 256 Y CB -2.296 36.140 38.460 -0.040 0.000 0.975 256 Y HN 0.225 nan 8.280 nan 0.000 0.492 257 P HA -0.121 nan 4.420 nan 0.000 0.221 257 P C 1.793 179.019 177.300 -0.124 0.000 1.150 257 P CA 1.080 64.148 63.100 -0.053 0.000 0.800 257 P CB -0.019 31.678 31.700 -0.006 0.000 0.787 258 L N 0.029 121.141 121.223 -0.185 0.000 1.976 258 L HA -0.118 4.223 4.340 0.001 0.000 0.209 258 L C 2.432 179.268 176.870 -0.058 0.000 1.071 258 L CA 1.631 56.352 54.840 -0.199 0.000 0.746 258 L CB -1.729 40.129 42.059 -0.334 0.000 0.890 258 L HN -0.165 nan 8.230 nan 0.000 0.432 259 L N 0.344 121.440 121.223 -0.211 0.000 2.013 259 L HA -0.266 4.074 4.340 0.001 0.000 0.212 259 L C 2.166 178.970 176.870 -0.111 0.000 1.073 259 L CA 1.986 56.733 54.840 -0.156 0.000 0.753 259 L CB -1.132 40.611 42.059 -0.526 0.000 0.890 259 L HN 0.422 nan 8.230 nan 0.000 0.432 260 N N -0.155 118.448 118.700 -0.162 0.000 2.309 260 N HA -0.052 4.689 4.740 0.001 0.000 0.182 260 N C 1.735 177.169 175.510 -0.127 0.000 1.018 260 N CA 1.274 54.243 53.050 -0.135 0.000 0.876 260 N CB -0.346 38.078 38.487 -0.106 0.000 0.972 260 N HN 0.562 nan 8.380 nan 0.000 0.434 261 A N -0.687 122.044 122.820 -0.149 0.000 2.016 261 A HA 0.090 4.410 4.320 0.001 0.000 0.217 261 A C 1.121 178.405 177.584 -0.499 0.000 1.162 261 A CA 0.691 52.507 52.037 -0.368 0.000 0.662 261 A CB -0.272 18.419 19.000 -0.514 0.000 0.812 261 A HN 0.205 nan 8.150 nan 0.000 0.450 262 F N -0.520 119.438 119.950 0.014 0.000 2.688 262 F HA 0.185 4.713 4.527 0.001 0.000 0.310 262 F C 1.810 177.762 175.800 0.254 0.000 1.098 262 F CA 0.288 58.368 58.000 0.135 0.000 1.228 262 F CB 0.552 39.617 39.000 0.107 0.000 1.042 262 F HN 0.266 nan 8.300 nan 0.000 0.557 263 K N -1.064 119.446 120.400 0.183 0.000 2.400 263 K HA 0.206 4.527 4.320 0.001 0.000 0.194 263 K C 0.555 177.145 176.600 -0.015 0.000 1.033 263 K CA 0.380 56.657 56.287 -0.017 0.000 1.021 263 K CB 0.459 32.793 32.500 -0.276 0.000 0.808 263 K HN 0.067 nan 8.250 nan 0.000 0.505 264 S N -0.004 115.703 115.700 0.013 0.000 2.595 264 S HA 0.171 4.641 4.470 0.001 0.000 0.281 264 S C 0.307 174.912 174.600 0.009 0.000 1.117 264 S CA -0.578 57.627 58.200 0.008 0.000 0.873 264 S CB 1.866 65.054 63.200 -0.019 0.000 1.108 264 S HN 0.337 nan 8.310 nan 0.000 0.477 265 T N -0.303 114.261 114.554 0.016 0.000 3.163 265 T HA 0.026 4.376 4.350 0.001 0.000 0.260 265 T C 0.904 175.591 174.700 -0.022 0.000 1.156 265 T CA 0.929 63.035 62.100 0.010 0.000 1.072 265 T CB -0.341 68.543 68.868 0.027 0.000 0.937 265 T HN 0.422 nan 8.240 nan 0.000 0.528 266 S N 0.086 115.767 115.700 -0.033 0.000 2.650 266 S HA 0.487 4.958 4.470 0.001 0.000 0.240 266 S C 1.194 175.749 174.600 -0.075 0.000 1.007 266 S CA -0.567 57.604 58.200 -0.048 0.000 0.984 266 S CB 0.185 63.364 63.200 -0.035 0.000 0.910 266 S HN 0.677 nan 8.310 nan 0.000 0.509 267 G N 1.730 110.470 108.800 -0.100 0.000 2.562 267 G HA2 0.290 4.251 3.960 0.001 0.000 0.233 267 G HA3 0.290 4.251 3.960 0.001 0.000 0.233 267 G C -0.199 174.603 174.900 -0.163 0.000 1.266 267 G CA -0.202 44.813 45.100 -0.142 0.000 0.852 267 G HN 0.336 nan 8.290 nan 0.000 0.581 268 S N 1.352 116.964 115.700 -0.146 0.000 2.416 268 S HA 0.199 4.670 4.470 0.001 0.000 0.287 268 S C 1.347 175.853 174.600 -0.155 0.000 1.139 268 S CA -0.652 57.471 58.200 -0.128 0.000 1.058 268 S CB 0.679 63.826 63.200 -0.088 0.000 0.967 268 S HN 0.481 nan 8.310 nan 0.000 0.495 269 M N 4.063 123.569 119.600 -0.157 0.000 2.349 269 M HA 0.056 4.537 4.480 0.001 0.000 0.266 269 M C 1.329 177.591 176.300 -0.063 0.000 1.076 269 M CA 1.340 56.557 55.300 -0.138 0.000 1.126 269 M CB -0.246 32.275 32.600 -0.132 0.000 1.392 269 M HN 0.614 nan 8.290 nan 0.000 0.440 270 D N 0.452 120.804 120.400 -0.080 0.000 2.123 270 D HA -0.187 4.453 4.640 0.001 0.000 0.196 270 D C 1.458 177.778 176.300 0.033 0.000 0.992 270 D CA 1.361 55.327 54.000 -0.056 0.000 0.833 270 D CB -0.317 40.438 40.800 -0.076 0.000 0.954 270 D HN 0.355 nan 8.370 nan 0.000 0.455 271 D N -0.025 120.374 120.400 -0.003 0.000 2.178 271 D HA -0.113 4.528 4.640 0.001 0.000 0.201 271 D C 2.121 178.449 176.300 0.047 0.000 0.980 271 D CA 0.279 54.290 54.000 0.019 0.000 0.842 271 D CB -0.139 40.655 40.800 -0.010 0.000 0.948 271 D HN 0.186 nan 8.370 nan 0.000 0.472 272 L N -0.410 120.833 121.223 0.033 0.000 2.049 272 L HA -0.091 4.249 4.340 0.001 0.000 0.203 272 L C 2.265 179.221 176.870 0.144 0.000 1.074 272 L CA 1.308 56.172 54.840 0.040 0.000 0.749 272 L CB -0.965 41.071 42.059 -0.039 0.000 0.907 272 L HN -0.019 nan 8.230 nan 0.000 0.439 273 Y N 0.843 121.160 120.300 0.027 0.000 2.102 273 Y HA -0.350 4.201 4.550 0.000 0.000 0.280 273 Y C 2.420 178.360 175.900 0.066 0.000 1.178 273 Y CA 2.350 60.489 58.100 0.065 0.000 1.146 273 Y CB -0.503 37.975 38.460 0.030 0.000 0.968 273 Y HN 0.379 nan 8.280 nan 0.000 0.504 274 N N 0.071 118.995 118.700 0.373 0.000 2.069 274 N HA -0.224 4.516 4.740 0.001 0.000 0.191 274 N C 1.895 177.469 175.510 0.107 0.000 1.031 274 N CA 1.913 55.096 53.050 0.222 0.000 0.852 274 N CB -0.607 37.984 38.487 0.173 0.000 1.018 274 N HN 0.485 nan 8.380 nan 0.000 0.423 275 M N 0.812 120.470 119.600 0.097 0.000 2.229 275 M HA 0.063 4.544 4.480 0.001 0.000 0.264 275 M C 1.735 178.082 176.300 0.079 0.000 1.063 275 M CA 0.995 56.344 55.300 0.083 0.000 1.114 275 M CB -0.253 32.396 32.600 0.081 0.000 1.387 275 M HN 0.037 nan 8.290 nan 0.000 0.420 276 I N 0.136 120.755 120.570 0.082 0.000 2.264 276 I HA -0.364 3.806 4.170 0.001 0.000 0.248 276 I C 1.898 178.031 176.117 0.026 0.000 1.111 276 I CA 1.721 63.072 61.300 0.085 0.000 1.382 276 I CB -0.616 37.444 38.000 0.100 0.000 1.060 276 I HN 0.468 nan 8.210 nan 0.000 0.418 277 N N -0.574 118.113 118.700 -0.023 0.000 2.171 277 N HA -0.134 4.606 4.740 0.001 0.000 0.184 277 N C 1.744 177.254 175.510 0.000 0.000 1.021 277 N CA 1.522 54.549 53.050 -0.037 0.000 0.854 277 N CB 0.001 38.443 38.487 -0.075 0.000 0.994 277 N HN 0.222 nan 8.380 nan 0.000 0.426 278 T N 0.533 115.102 114.554 0.025 0.000 2.684 278 T HA -0.107 4.244 4.350 0.001 0.000 0.267 278 T C 2.032 176.756 174.700 0.039 0.000 1.036 278 T CA 0.966 63.088 62.100 0.037 0.000 1.148 278 T CB -0.233 68.667 68.868 0.054 0.000 0.863 278 T HN -0.003 nan 8.240 nan 0.000 0.436 279 V N 1.637 121.582 119.914 0.052 0.000 2.515 279 V HA -0.099 4.021 4.120 0.001 0.000 0.250 279 V C 2.455 178.571 176.094 0.037 0.000 1.058 279 V CA 1.412 63.747 62.300 0.059 0.000 1.064 279 V CB -0.521 31.351 31.823 0.081 0.000 0.675 279 V HN 0.449 nan 8.190 nan 0.000 0.461 280 K N 0.253 120.665 120.400 0.021 0.000 2.097 280 K HA -0.132 4.189 4.320 0.001 0.000 0.205 280 K C 2.147 178.736 176.600 -0.019 0.000 1.050 280 K CA 1.801 58.085 56.287 -0.005 0.000 0.938 280 K CB -0.018 32.469 32.500 -0.023 0.000 0.718 280 K HN 0.508 nan 8.250 nan 0.000 0.442 281 S N 0.967 116.658 115.700 -0.016 0.000 2.421 281 S HA -0.024 4.447 4.470 0.001 0.000 0.224 281 S C 0.937 175.533 174.600 -0.006 0.000 1.035 281 S CA 0.934 59.122 58.200 -0.020 0.000 0.953 281 S CB 0.068 63.256 63.200 -0.019 0.000 0.810 281 S HN 0.348 nan 8.310 nan 0.000 0.497 282 D N -0.049 120.357 120.400 0.011 0.000 2.367 282 D HA 0.228 4.869 4.640 0.001 0.000 0.207 282 D C -0.006 176.309 176.300 0.025 0.000 1.034 282 D CA 0.044 54.055 54.000 0.018 0.000 0.861 282 D CB 0.102 40.919 40.800 0.029 0.000 0.943 282 D HN 0.227 nan 8.370 nan 0.000 0.515 283 c N 0.749 119.367 118.600 0.029 0.000 2.366 283 c HA 0.271 4.841 4.570 0.001 0.000 0.345 283 c C -0.919 173.185 174.090 0.025 0.000 1.209 283 c CA -1.677 54.675 56.329 0.038 0.000 2.050 283 c CB 1.744 44.288 42.510 0.056 0.000 2.359 283 c HN 0.141 nan 8.230 nan 0.000 0.527 284 P HA -0.107 nan 4.420 nan 0.000 0.214 284 P C -0.202 177.108 177.300 0.017 0.000 1.163 284 P CA 1.667 64.778 63.100 0.018 0.000 0.889 284 P CB 0.180 31.894 31.700 0.022 0.000 0.790 285 D N -2.334 118.083 120.400 0.029 0.000 2.328 285 D HA 0.078 4.719 4.640 0.001 0.000 0.243 285 D C 0.693 177.016 176.300 0.038 0.000 1.324 285 D CA -0.152 53.864 54.000 0.026 0.000 0.966 285 D CB 0.287 41.105 40.800 0.029 0.000 1.324 285 D HN -0.123 nan 8.370 nan 0.000 0.549 286 S N 1.115 116.832 115.700 0.028 0.000 2.465 286 S HA -0.186 4.284 4.470 0.001 0.000 0.241 286 S C 1.626 176.251 174.600 0.041 0.000 1.000 286 S CA 1.528 59.751 58.200 0.039 0.000 0.964 286 S CB -0.599 62.618 63.200 0.028 0.000 0.763 286 S HN 0.477 nan 8.310 nan 0.000 0.512 287 T N -0.957 113.614 114.554 0.029 0.000 3.215 287 T HA 0.329 4.680 4.350 0.001 0.000 0.254 287 T C 0.941 175.669 174.700 0.047 0.000 1.149 287 T CA 0.081 62.199 62.100 0.031 0.000 1.042 287 T CB -0.426 68.450 68.868 0.013 0.000 0.966 287 T HN 0.464 nan 8.240 nan 0.000 0.534 288 L N 0.247 121.511 121.223 0.068 0.000 3.184 288 L HA 0.469 4.810 4.340 0.001 0.000 0.283 288 L C 0.148 177.118 176.870 0.167 0.000 1.218 288 L CA -0.315 54.585 54.840 0.100 0.000 1.028 288 L CB 0.440 42.562 42.059 0.106 0.000 1.400 288 L HN 0.232 nan 8.230 nan 0.000 0.591 289 L N -0.062 121.239 121.223 0.130 0.000 2.439 289 L HA 0.495 4.836 4.340 0.001 0.000 0.259 289 L C 0.684 177.647 176.870 0.155 0.000 1.129 289 L CA -0.401 54.519 54.840 0.132 0.000 0.803 289 L CB 0.810 42.936 42.059 0.112 0.000 1.161 289 L HN 0.008 nan 8.230 nan 0.000 0.462 290 G N 0.023 108.920 108.800 0.162 0.000 2.370 290 G HA2 0.492 4.452 3.960 0.001 0.000 0.317 290 G HA3 0.492 4.452 3.960 0.001 0.000 0.317 290 G C -0.434 174.610 174.900 0.240 0.000 1.162 290 G CA -0.227 44.993 45.100 0.199 0.000 0.922 290 G HN 0.494 nan 8.290 nan 0.000 0.454 291 T N 1.760 116.443 114.554 0.214 0.000 2.889 291 T HA 0.621 4.971 4.350 0.001 0.000 0.291 291 T C -0.495 174.363 174.700 0.264 0.000 0.995 291 T CA 0.130 62.339 62.100 0.181 0.000 1.092 291 T CB 0.655 69.604 68.868 0.134 0.000 0.954 291 T HN 0.642 nan 8.240 nan 0.000 0.506 292 F N -0.483 119.522 119.950 0.093 0.000 2.693 292 F HA 0.691 5.218 4.527 0.001 0.000 0.309 292 F C -0.448 175.429 175.800 0.128 0.000 1.129 292 F CA -1.288 56.756 58.000 0.073 0.000 0.948 292 F CB 0.939 39.929 39.000 -0.016 0.000 1.315 292 F HN 0.249 nan 8.300 nan 0.000 0.447 293 V N 0.243 120.308 119.914 0.252 0.000 3.485 293 V HA 0.404 4.525 4.120 0.001 0.000 0.280 293 V C -0.385 176.024 176.094 0.526 0.000 1.495 293 V CA 0.509 62.986 62.300 0.294 0.000 1.018 293 V CB 0.323 32.212 31.823 0.109 0.000 0.818 293 V HN 0.817 nan 8.190 nan 0.000 0.436 294 E N 1.368 121.877 120.200 0.514 0.000 2.340 294 E HA 0.495 4.845 4.350 0.001 0.000 0.273 294 E C -1.358 175.431 176.600 0.315 0.000 0.891 294 E CA -0.519 56.158 56.400 0.462 0.000 0.757 294 E CB 2.290 32.271 29.700 0.469 0.000 1.231 294 E HN 0.557 nan 8.360 nan 0.000 0.439 295 N N -1.023 117.762 118.700 0.142 0.000 3.344 295 N HA 0.087 4.828 4.740 0.001 0.000 0.296 295 N C -0.295 175.084 175.510 -0.217 0.000 1.571 295 N CA -0.725 52.215 53.050 -0.182 0.000 0.844 295 N CB -0.088 38.224 38.487 -0.292 0.000 1.718 295 N HN 0.607 nan 8.380 nan 0.000 0.589 296 H N -3.356 115.379 119.070 -0.560 0.000 2.543 296 H HA 0.406 4.962 4.556 0.001 0.000 0.269 296 H C -0.687 174.577 175.328 -0.105 0.000 1.005 296 H CA -0.224 55.645 56.048 -0.299 0.000 1.146 296 H CB -0.028 29.573 29.762 -0.267 0.000 1.353 296 H HN 0.363 nan 8.280 nan 0.000 0.595 297 D N 0.074 120.333 120.400 -0.234 0.000 2.469 297 D HA 0.133 4.774 4.640 0.001 0.000 0.215 297 D C -0.213 176.065 176.300 -0.038 0.000 1.154 297 D CA 0.033 53.897 54.000 -0.226 0.000 0.832 297 D CB 0.528 41.133 40.800 -0.325 0.000 1.008 297 D HN 0.379 nan 8.370 nan 0.000 0.506 298 N N 0.734 119.468 118.700 0.056 0.000 2.329 298 N HA 0.304 5.044 4.740 0.001 0.000 0.282 298 N C -2.866 172.772 175.510 0.214 0.000 1.198 298 N CA -1.290 51.868 53.050 0.181 0.000 0.790 298 N CB 2.835 41.494 38.487 0.286 0.000 1.579 298 N HN -0.289 nan 8.380 nan 0.000 0.475 299 P HA 0.048 nan 4.420 nan 0.000 0.266 299 P C 0.036 177.505 177.300 0.282 0.000 1.195 299 P CA 0.239 63.428 63.100 0.148 0.000 0.768 299 P CB 0.701 32.379 31.700 -0.036 0.000 0.838 300 R N 1.849 122.486 120.500 0.229 0.000 2.774 300 R HA 0.071 4.411 4.340 0.001 0.000 0.269 300 R C 1.168 177.693 176.300 0.375 0.000 1.068 300 R CA -0.241 56.051 56.100 0.321 0.000 1.180 300 R CB -0.176 30.275 30.300 0.251 0.000 1.077 300 R HN 0.445 nan 8.270 nan 0.000 0.513 301 F N 1.713 121.846 119.950 0.305 0.000 2.069 301 F HA -0.208 4.320 4.527 0.001 0.000 0.298 301 F C 2.106 178.074 175.800 0.281 0.000 1.113 301 F CA 2.216 60.417 58.000 0.335 0.000 1.214 301 F CB -0.300 38.856 39.000 0.260 0.000 0.978 301 F HN 0.644 nan 8.300 nan 0.000 0.474 302 A N -0.715 122.217 122.820 0.186 0.000 2.248 302 A HA -0.067 4.254 4.320 0.001 0.000 0.210 302 A C 2.145 179.663 177.584 -0.110 0.000 1.174 302 A CA 1.283 53.289 52.037 -0.052 0.000 0.750 302 A CB -1.207 17.608 19.000 -0.309 0.000 0.780 302 A HN 0.514 nan 8.150 nan 0.000 0.478 303 S N -1.761 113.877 115.700 -0.103 0.000 2.446 303 S HA -0.063 4.407 4.470 0.001 0.000 0.225 303 S C 1.633 176.056 174.600 -0.295 0.000 1.016 303 S CA 0.856 58.932 58.200 -0.207 0.000 0.943 303 S CB -0.635 62.407 63.200 -0.262 0.000 0.786 303 S HN 0.559 nan 8.310 nan 0.000 0.508 304 Y N 1.809 122.003 120.300 -0.176 0.000 2.397 304 Y HA 0.367 4.918 4.550 0.001 0.000 0.292 304 Y C 1.340 177.111 175.900 -0.214 0.000 1.115 304 Y CA 0.710 58.688 58.100 -0.205 0.000 1.208 304 Y CB 0.207 38.483 38.460 -0.306 0.000 1.046 304 Y HN 0.377 nan 8.280 nan 0.000 0.552 305 T N -1.142 113.352 114.554 -0.100 0.000 3.159 305 T HA 0.185 4.535 4.350 0.001 0.000 0.343 305 T C -0.364 174.332 174.700 -0.006 0.000 1.364 305 T CA -0.696 61.371 62.100 -0.056 0.000 1.102 305 T CB 0.738 69.577 68.868 -0.049 0.000 1.263 305 T HN -0.088 nan 8.240 nan 0.000 0.477 306 N N 2.398 121.130 118.700 0.053 0.000 2.398 306 N HA 0.081 4.821 4.740 0.001 0.000 0.188 306 N C -0.012 175.664 175.510 0.276 0.000 1.122 306 N CA -0.014 53.113 53.050 0.129 0.000 0.866 306 N CB 0.175 38.708 38.487 0.075 0.000 0.970 306 N HN 0.674 nan 8.380 nan 0.000 0.462 307 D N 0.728 121.265 120.400 0.228 0.000 2.401 307 D HA -0.034 4.607 4.640 0.001 0.000 0.254 307 D C 1.391 177.841 176.300 0.250 0.000 1.192 307 D CA -0.233 53.896 54.000 0.215 0.000 0.885 307 D CB 0.815 41.724 40.800 0.182 0.000 1.147 307 D HN 0.138 nan 8.370 nan 0.000 0.478 308 I N 2.804 123.457 120.570 0.139 0.000 2.676 308 I HA 0.005 4.175 4.170 0.001 0.000 0.259 308 I C 2.154 178.311 176.117 0.066 0.000 1.194 308 I CA 0.547 61.861 61.300 0.023 0.000 1.473 308 I CB -0.517 37.431 38.000 -0.088 0.000 1.096 308 I HN 0.312 nan 8.210 nan 0.000 0.443 309 A N 1.393 124.274 122.820 0.103 0.000 1.873 309 A HA -0.024 4.297 4.320 0.001 0.000 0.215 309 A C 2.134 179.803 177.584 0.141 0.000 1.186 309 A CA 1.379 53.478 52.037 0.103 0.000 0.616 309 A CB -0.864 18.201 19.000 0.108 0.000 0.823 309 A HN 0.359 nan 8.150 nan 0.000 0.442 310 L N -0.212 121.143 121.223 0.219 0.000 2.046 310 L HA -0.119 4.222 4.340 0.001 0.000 0.208 310 L C 2.976 179.974 176.870 0.212 0.000 1.077 310 L CA 1.878 56.910 54.840 0.321 0.000 0.747 310 L CB -1.255 41.075 42.059 0.452 0.000 0.896 310 L HN 0.415 nan 8.230 nan 0.000 0.432 311 A N -0.837 122.138 122.820 0.259 0.000 1.902 311 A HA -0.245 4.076 4.320 0.001 0.000 0.217 311 A C 2.353 179.881 177.584 -0.093 0.000 1.181 311 A CA 1.780 53.859 52.037 0.072 0.000 0.623 311 A CB -0.422 18.720 19.000 0.235 0.000 0.818 311 A HN 0.388 nan 8.150 nan 0.000 0.443 312 K N -0.184 120.197 120.400 -0.033 0.000 2.032 312 K HA -0.151 4.169 4.320 0.001 0.000 0.209 312 K C 1.926 178.464 176.600 -0.104 0.000 1.048 312 K CA 1.463 57.718 56.287 -0.053 0.000 0.927 312 K CB -0.288 32.201 32.500 -0.018 0.000 0.712 312 K HN 0.486 nan 8.250 nan 0.000 0.441 313 N N 0.707 119.334 118.700 -0.121 0.000 2.069 313 N HA -0.158 4.582 4.740 0.001 0.000 0.191 313 N C 2.038 177.240 175.510 -0.513 0.000 1.031 313 N CA 1.984 54.887 53.050 -0.245 0.000 0.852 313 N CB -0.225 38.183 38.487 -0.132 0.000 1.018 313 N HN 0.124 nan 8.380 nan 0.000 0.423 314 V N -0.656 118.872 119.914 -0.643 0.000 2.515 314 V HA -0.027 4.093 4.120 0.001 0.000 0.250 314 V C 2.421 178.338 176.094 -0.296 0.000 1.058 314 V CA 1.700 63.613 62.300 -0.645 0.000 1.064 314 V CB -1.148 30.231 31.823 -0.739 0.000 0.675 314 V HN 0.167 nan 8.190 nan 0.000 0.461 315 A N 0.841 123.532 122.820 -0.214 0.000 1.898 315 A HA 0.114 4.434 4.320 0.001 0.000 0.216 315 A C 2.465 180.015 177.584 -0.057 0.000 1.181 315 A CA 2.248 54.234 52.037 -0.084 0.000 0.620 315 A CB -1.012 17.959 19.000 -0.048 0.000 0.819 315 A HN 0.910 nan 8.150 nan 0.000 0.442 316 A N -1.425 121.346 122.820 -0.083 0.000 1.968 316 A HA 0.055 4.376 4.320 0.001 0.000 0.217 316 A C 1.994 179.553 177.584 -0.041 0.000 1.169 316 A CA 1.324 53.325 52.037 -0.059 0.000 0.638 316 A CB -0.666 18.303 19.000 -0.053 0.000 0.812 316 A HN 0.631 nan 8.150 nan 0.000 0.446 317 F N 1.454 121.296 119.950 -0.179 0.000 2.069 317 F HA -0.243 4.285 4.527 0.001 0.000 0.298 317 F C 1.987 177.751 175.800 -0.060 0.000 1.113 317 F CA 2.172 60.094 58.000 -0.130 0.000 1.214 317 F CB -0.325 38.549 39.000 -0.210 0.000 0.978 317 F HN 0.317 nan 8.300 nan 0.000 0.474 318 I N -0.065 120.555 120.570 0.082 0.000 2.226 318 I HA -0.242 3.928 4.170 0.001 0.000 0.245 318 I C 1.940 178.048 176.117 -0.015 0.000 1.100 318 I CA 1.702 63.035 61.300 0.056 0.000 1.374 318 I CB -0.875 37.216 38.000 0.151 0.000 1.057 318 I HN 0.123 nan 8.210 nan 0.000 0.413 319 I N 0.870 121.432 120.570 -0.012 0.000 2.361 319 I HA -0.187 3.984 4.170 0.001 0.000 0.251 319 I C 2.283 178.385 176.117 -0.025 0.000 1.133 319 I CA 1.592 62.883 61.300 -0.014 0.000 1.413 319 I CB -1.217 36.753 38.000 -0.051 0.000 1.073 319 I HN 0.400 nan 8.210 nan 0.000 0.424 320 L N -0.542 120.628 121.223 -0.088 0.000 2.616 320 L HA 0.132 4.472 4.340 0.001 0.000 0.229 320 L C 1.214 177.979 176.870 -0.175 0.000 1.110 320 L CA -0.005 54.799 54.840 -0.059 0.000 0.884 320 L CB -0.215 41.816 42.059 -0.047 0.000 1.115 320 L HN 0.267 nan 8.230 nan 0.000 0.481 321 N N 0.129 118.621 118.700 -0.347 0.000 2.347 321 N HA -0.010 4.731 4.740 0.001 0.000 0.253 321 N C -0.540 174.865 175.510 -0.175 0.000 1.274 321 N CA -0.594 52.202 53.050 -0.423 0.000 0.941 321 N CB 0.792 38.903 38.487 -0.628 0.000 1.200 321 N HN -0.078 nan 8.380 nan 0.000 0.514 322 D N -0.510 119.815 120.400 -0.126 0.000 2.382 322 D HA 0.375 5.016 4.640 0.001 0.000 0.240 322 D C 0.605 176.906 176.300 0.002 0.000 1.146 322 D CA 1.211 55.178 54.000 -0.056 0.000 0.897 322 D CB 0.690 41.474 40.800 -0.027 0.000 1.197 322 D HN 0.804 nan 8.370 nan 0.000 0.432 323 G N 0.399 109.222 108.800 0.039 0.000 2.526 323 G HA2 -0.152 3.809 3.960 0.001 0.000 0.250 323 G HA3 -0.152 3.809 3.960 0.001 0.000 0.250 323 G C -0.685 174.285 174.900 0.116 0.000 1.289 323 G CA -0.694 44.456 45.100 0.084 0.000 0.947 323 G HN 0.486 nan 8.290 nan 0.000 0.517 324 I N 2.633 123.298 120.570 0.159 0.000 2.301 324 I HA 0.313 4.483 4.170 0.001 0.000 0.292 324 I C -1.921 174.328 176.117 0.221 0.000 1.046 324 I CA -1.901 59.526 61.300 0.212 0.000 1.282 324 I CB 1.694 39.863 38.000 0.281 0.000 1.409 324 I HN 0.166 nan 8.210 nan 0.000 0.484 325 P HA 0.158 nan 4.420 nan 0.000 0.264 325 P C -0.691 176.798 177.300 0.316 0.000 1.193 325 P CA 0.395 63.630 63.100 0.225 0.000 0.763 325 P CB 0.331 32.149 31.700 0.196 0.000 0.810 326 I N 4.100 124.864 120.570 0.322 0.000 2.447 326 I HA 0.440 4.610 4.170 0.001 0.000 0.287 326 I C 0.033 176.328 176.117 0.296 0.000 1.023 326 I CA -0.740 60.760 61.300 0.333 0.000 1.083 326 I CB 1.894 40.094 38.000 0.334 0.000 1.245 326 I HN 0.084 nan 8.210 nan 0.000 0.434 327 I N 5.484 126.198 120.570 0.240 0.000 2.433 327 I HA 0.241 4.412 4.170 0.001 0.000 0.292 327 I C -0.932 175.178 176.117 -0.012 0.000 1.001 327 I CA -0.813 60.593 61.300 0.178 0.000 1.119 327 I CB 2.188 40.371 38.000 0.305 0.000 1.289 327 I HN 0.497 nan 8.210 nan 0.000 0.438 328 Y N 6.228 126.462 120.300 -0.110 0.000 2.404 328 Y HA 0.488 5.039 4.550 0.001 0.000 0.344 328 Y C 0.557 176.181 175.900 -0.460 0.000 0.995 328 Y CA -1.404 56.526 58.100 -0.283 0.000 1.201 328 Y CB 0.792 39.211 38.460 -0.069 0.000 1.151 328 Y HN 0.664 nan 8.280 nan 0.000 0.517 329 A N 4.691 126.912 122.820 -0.997 0.000 2.600 329 A HA 0.329 4.649 4.320 0.001 0.000 0.253 329 A C 1.466 178.603 177.584 -0.746 0.000 0.997 329 A CA 1.489 53.032 52.037 -0.823 0.000 0.820 329 A CB -1.233 17.400 19.000 -0.612 0.000 0.888 329 A HN 1.984 nan 8.150 nan 0.000 0.508 330 G N 1.197 109.690 108.800 -0.512 0.000 2.313 330 G HA2 -0.315 3.645 3.960 0.001 0.000 0.215 330 G HA3 -0.315 3.645 3.960 0.001 0.000 0.215 330 G C 1.163 175.811 174.900 -0.421 0.000 1.023 330 G CA 0.877 45.475 45.100 -0.837 0.000 0.626 330 G HN 0.907 nan 8.290 nan 0.000 0.503 331 Q N 0.590 120.265 119.800 -0.208 0.000 2.096 331 Q HA -0.165 4.176 4.340 0.001 0.000 0.204 331 Q C 2.475 178.529 176.000 0.090 0.000 0.982 331 Q CA 2.199 58.020 55.803 0.029 0.000 0.850 331 Q CB -0.128 28.661 28.738 0.084 0.000 0.901 331 Q HN 0.710 nan 8.270 nan 0.000 0.422 332 E N -0.454 119.793 120.200 0.079 0.000 2.347 332 E HA -0.168 4.183 4.350 0.001 0.000 0.196 332 E C 0.981 177.667 176.600 0.143 0.000 1.008 332 E CA 0.784 57.274 56.400 0.150 0.000 0.852 332 E CB 0.028 29.868 29.700 0.232 0.000 0.783 332 E HN 0.348 nan 8.360 nan 0.000 0.505 333 Q N 0.155 119.973 119.800 0.030 0.000 2.220 333 Q HA 0.087 4.427 4.340 0.001 0.000 0.205 333 Q C -0.337 175.794 176.000 0.218 0.000 0.865 333 Q CA -0.085 55.747 55.803 0.048 0.000 0.960 333 Q CB -0.555 28.099 28.738 -0.139 0.000 1.097 333 Q HN 0.561 nan 8.270 nan 0.000 0.493 334 H N -0.553 118.576 119.070 0.098 0.000 2.862 334 H HA -0.204 4.352 4.556 0.001 0.000 0.290 334 H C -0.790 174.706 175.328 0.279 0.000 1.211 334 H CA -0.259 55.899 56.048 0.184 0.000 1.140 334 H CB -0.515 29.350 29.762 0.171 0.000 1.341 334 H HN 0.133 nan 8.280 nan 0.000 0.392 335 Y N 0.022 120.355 120.300 0.055 0.000 2.578 335 Y HA 0.193 4.743 4.550 0.001 0.000 0.339 335 Y C 1.130 176.997 175.900 -0.055 0.000 1.231 335 Y CA 0.459 58.540 58.100 -0.032 0.000 1.461 335 Y CB 0.690 39.113 38.460 -0.062 0.000 1.323 335 Y HN 0.392 nan 8.280 nan 0.000 0.590 336 A N 2.264 125.093 122.820 0.014 0.000 2.610 336 A HA 0.451 4.771 4.320 0.001 0.000 0.290 336 A C 0.822 178.374 177.584 -0.054 0.000 1.001 336 A CA 0.075 52.088 52.037 -0.040 0.000 1.004 336 A CB -0.623 18.310 19.000 -0.112 0.000 1.220 336 A HN 0.813 nan 8.150 nan 0.000 0.507 337 G N -0.265 108.517 108.800 -0.030 0.000 2.491 337 G HA2 0.439 4.399 3.960 0.001 0.000 0.238 337 G HA3 0.439 4.399 3.960 0.001 0.000 0.238 337 G C 0.611 175.499 174.900 -0.020 0.000 1.277 337 G CA 0.375 45.452 45.100 -0.038 0.000 0.851 337 G HN 0.618 nan 8.290 nan 0.000 0.573 338 G N 0.295 109.070 108.800 -0.042 0.000 2.882 338 G HA2 0.285 4.245 3.960 0.001 0.000 0.164 338 G HA3 0.285 4.245 3.960 0.001 0.000 0.164 338 G C 0.313 175.208 174.900 -0.007 0.000 1.429 338 G CA -0.800 44.267 45.100 -0.055 0.000 1.059 338 G HN 0.711 nan 8.290 nan 0.000 0.581 339 N N 0.229 118.920 118.700 -0.014 0.000 2.340 339 N HA 0.177 4.918 4.740 0.001 0.000 0.236 339 N C -0.210 175.305 175.510 0.008 0.000 1.296 339 N CA -0.039 53.015 53.050 0.007 0.000 0.896 339 N CB 0.495 38.980 38.487 -0.005 0.000 1.127 339 N HN 0.506 nan 8.380 nan 0.000 0.442 340 D N 0.715 121.120 120.400 0.008 0.000 2.583 340 D HA -0.059 4.582 4.640 0.001 0.000 0.232 340 D C -1.633 174.670 176.300 0.005 0.000 1.128 340 D CA -0.939 53.068 54.000 0.012 0.000 0.859 340 D CB 0.618 41.400 40.800 -0.030 0.000 1.169 340 D HN 0.346 nan 8.370 nan 0.000 0.481 341 P HA 0.159 nan 4.420 nan 0.000 0.257 341 P C 0.617 177.942 177.300 0.043 0.000 1.281 341 P CA -0.019 63.124 63.100 0.071 0.000 0.826 341 P CB 0.355 32.109 31.700 0.091 0.000 1.237 342 A N 2.215 125.045 122.820 0.016 0.000 2.015 342 A HA -0.155 4.165 4.320 0.001 0.000 0.219 342 A C 1.679 179.271 177.584 0.014 0.000 1.163 342 A CA 1.392 53.423 52.037 -0.010 0.000 0.646 342 A CB -1.131 17.854 19.000 -0.026 0.000 0.806 342 A HN 0.352 nan 8.150 nan 0.000 0.448 343 N N -0.715 118.028 118.700 0.072 0.000 2.362 343 N HA 0.077 4.817 4.740 0.001 0.000 0.211 343 N C 0.106 175.751 175.510 0.224 0.000 1.170 343 N CA 0.052 53.192 53.050 0.151 0.000 0.828 343 N CB -0.195 38.406 38.487 0.190 0.000 1.034 343 N HN 0.293 nan 8.380 nan 0.000 0.475 344 R N 0.281 120.868 120.500 0.145 0.000 2.903 344 R HA 0.225 4.565 4.340 0.001 0.000 0.363 344 R C -0.726 175.572 176.300 -0.004 0.000 1.161 344 R CA -0.454 55.743 56.100 0.163 0.000 1.109 344 R CB 0.226 30.668 30.300 0.238 0.000 1.399 344 R HN 0.273 nan 8.270 nan 0.000 0.587 345 E N 0.901 121.070 120.200 -0.051 0.000 2.398 345 E HA 0.236 4.586 4.350 0.001 0.000 0.263 345 E C 0.002 176.476 176.600 -0.210 0.000 1.046 345 E CA -0.029 56.265 56.400 -0.178 0.000 0.908 345 E CB 0.585 30.120 29.700 -0.276 0.000 0.963 345 E HN 0.295 nan 8.360 nan 0.000 0.431 346 A N 2.504 125.053 122.820 -0.450 0.000 2.409 346 A HA 0.158 4.479 4.320 0.001 0.000 0.267 346 A C 0.983 178.260 177.584 -0.512 0.000 1.127 346 A CA -0.421 51.137 52.037 -0.799 0.000 0.795 346 A CB 0.142 18.062 19.000 -1.799 0.000 1.061 346 A HN 0.703 nan 8.150 nan 0.000 0.502 347 T N 2.066 116.411 114.554 -0.347 0.000 2.788 347 T HA -0.210 4.141 4.350 0.001 0.000 0.268 347 T C 1.517 175.884 174.700 -0.555 0.000 1.044 347 T CA 2.108 64.049 62.100 -0.266 0.000 1.139 347 T CB -0.448 68.403 68.868 -0.030 0.000 0.867 347 T HN 1.017 nan 8.240 nan 0.000 0.454 348 W N 2.311 123.224 121.300 -0.644 0.000 2.325 348 W HA -0.049 4.612 4.660 0.001 0.000 0.299 348 W C 1.401 177.587 176.519 -0.554 0.000 1.215 348 W CA 0.324 57.127 57.345 -0.904 0.000 1.244 348 W CB -1.412 27.834 29.460 -0.357 0.000 1.140 348 W HN 0.150 nan 8.180 nan 0.000 0.523 349 L N 1.983 123.035 121.223 -0.284 0.000 2.349 349 L HA -0.218 4.123 4.340 0.001 0.000 0.220 349 L C 2.784 179.605 176.870 -0.082 0.000 1.130 349 L CA 1.801 56.575 54.840 -0.108 0.000 0.791 349 L CB -0.875 41.059 42.059 -0.209 0.000 0.918 349 L HN 0.312 nan 8.230 nan 0.000 0.444 350 S N -1.325 114.312 115.700 -0.105 0.000 2.470 350 S HA 0.104 4.574 4.470 0.001 0.000 0.225 350 S C 1.667 176.225 174.600 -0.069 0.000 1.006 350 S CA 0.498 58.698 58.200 -0.000 0.000 0.934 350 S CB 0.401 63.643 63.200 0.070 0.000 0.778 350 S HN 0.511 nan 8.310 nan 0.000 0.517 351 G N 0.253 108.937 108.800 -0.192 0.000 2.194 351 G HA2 -0.275 3.685 3.960 0.001 0.000 0.236 351 G HA3 -0.275 3.685 3.960 0.001 0.000 0.236 351 G C 0.253 175.172 174.900 0.031 0.000 0.987 351 G CA -0.183 44.875 45.100 -0.069 0.000 0.635 351 G HN 0.703 nan 8.290 nan 0.000 0.520 352 Y N -1.189 119.068 120.300 -0.072 0.000 3.234 352 Y HA -0.152 4.398 4.550 0.001 0.000 0.207 352 Y C -1.559 174.390 175.900 0.082 0.000 1.316 352 Y CA 0.147 58.167 58.100 -0.134 0.000 1.309 352 Y CB -2.510 35.667 38.460 -0.471 0.000 1.408 352 Y HN 0.472 nan 8.280 nan 0.000 0.544 353 P HA 0.091 nan 4.420 nan 0.000 0.271 353 P C 0.886 178.122 177.300 -0.107 0.000 1.226 353 P CA 0.460 63.596 63.100 0.059 0.000 0.765 353 P CB 1.230 32.957 31.700 0.046 0.000 0.835 354 T N -2.265 112.082 114.554 -0.345 0.000 3.122 354 T HA 0.019 4.370 4.350 0.001 0.000 0.250 354 T C 0.539 174.961 174.700 -0.464 0.000 1.067 354 T CA 0.017 61.538 62.100 -0.963 0.000 0.966 354 T CB -0.492 67.977 68.868 -0.665 0.000 1.002 354 T HN 0.376 nan 8.240 nan 0.000 0.542 355 D N 1.090 121.373 120.400 -0.194 0.000 2.538 355 D HA 0.119 4.760 4.640 0.001 0.000 0.231 355 D C 0.534 176.841 176.300 0.011 0.000 1.229 355 D CA -0.383 53.586 54.000 -0.051 0.000 0.828 355 D CB -0.076 40.708 40.800 -0.027 0.000 1.035 355 D HN 0.410 nan 8.370 nan 0.000 0.495 356 S N -0.369 115.351 115.700 0.033 0.000 2.585 356 S HA 0.080 4.550 4.470 0.001 0.000 0.273 356 S C 1.162 175.828 174.600 0.111 0.000 1.339 356 S CA -0.403 57.853 58.200 0.093 0.000 1.028 356 S CB 1.932 65.214 63.200 0.137 0.000 0.906 356 S HN 0.054 nan 8.310 nan 0.000 0.528 357 E N 0.898 121.139 120.200 0.069 0.000 2.058 357 E HA -0.118 4.232 4.350 0.001 0.000 0.194 357 E C 1.693 178.320 176.600 0.045 0.000 0.997 357 E CA 1.212 57.636 56.400 0.040 0.000 0.801 357 E CB -0.160 29.540 29.700 0.000 0.000 0.746 357 E HN 0.627 nan 8.360 nan 0.000 0.450 358 L N -0.266 120.988 121.223 0.053 0.000 2.240 358 L HA -0.122 4.219 4.340 0.001 0.000 0.211 358 L C 2.271 179.188 176.870 0.079 0.000 1.106 358 L CA 0.998 55.866 54.840 0.045 0.000 0.793 358 L CB -1.119 40.968 42.059 0.045 0.000 0.927 358 L HN 0.201 nan 8.230 nan 0.000 0.446 359 Y N 1.565 121.872 120.300 0.013 0.000 2.114 359 Y HA -0.269 4.282 4.550 0.001 0.000 0.284 359 Y C 2.721 178.599 175.900 -0.036 0.000 1.143 359 Y CA 1.859 59.954 58.100 -0.007 0.000 1.135 359 Y CB 0.063 38.516 38.460 -0.013 0.000 0.980 359 Y HN 0.029 nan 8.280 nan 0.000 0.499 360 K N -0.260 120.251 120.400 0.185 0.000 2.026 360 K HA -0.195 4.126 4.320 0.001 0.000 0.208 360 K C 2.031 178.618 176.600 -0.022 0.000 1.048 360 K CA 1.335 57.670 56.287 0.079 0.000 0.929 360 K CB -0.533 32.011 32.500 0.073 0.000 0.713 360 K HN 0.305 nan 8.250 nan 0.000 0.439 361 L N 1.899 123.109 121.223 -0.021 0.000 2.012 361 L HA -0.196 4.145 4.340 0.001 0.000 0.210 361 L C 2.017 178.830 176.870 -0.096 0.000 1.073 361 L CA 1.786 56.596 54.840 -0.051 0.000 0.748 361 L CB -0.728 41.311 42.059 -0.034 0.000 0.891 361 L HN 0.220 nan 8.230 nan 0.000 0.431 362 I N 0.198 120.698 120.570 -0.117 0.000 2.226 362 I HA -0.270 3.900 4.170 0.001 0.000 0.245 362 I C 2.762 178.714 176.117 -0.274 0.000 1.100 362 I CA 1.153 62.349 61.300 -0.172 0.000 1.374 362 I CB -0.475 37.443 38.000 -0.137 0.000 1.057 362 I HN 0.322 nan 8.210 nan 0.000 0.413 363 A N 0.085 122.730 122.820 -0.291 0.000 1.873 363 A HA -0.224 4.096 4.320 0.001 0.000 0.215 363 A C 2.464 179.919 177.584 -0.215 0.000 1.186 363 A CA 2.097 53.954 52.037 -0.300 0.000 0.616 363 A CB -0.760 18.105 19.000 -0.226 0.000 0.823 363 A HN 0.457 nan 8.150 nan 0.000 0.442 364 S N -0.531 115.074 115.700 -0.158 0.000 2.489 364 S HA 0.238 4.708 4.470 0.001 0.000 0.228 364 S C 1.834 176.345 174.600 -0.149 0.000 0.995 364 S CA 1.113 59.230 58.200 -0.138 0.000 0.934 364 S CB -0.258 62.882 63.200 -0.099 0.000 0.771 364 S HN 0.751 nan 8.310 nan 0.000 0.522 365 A N 1.789 124.517 122.820 -0.155 0.000 1.975 365 A HA 0.155 4.476 4.320 0.001 0.000 0.215 365 A C 2.126 179.602 177.584 -0.181 0.000 1.170 365 A CA 0.819 52.769 52.037 -0.145 0.000 0.656 365 A CB -0.577 18.353 19.000 -0.117 0.000 0.821 365 A HN 0.550 nan 8.150 nan 0.000 0.449 366 N N 0.710 119.268 118.700 -0.237 0.000 2.216 366 N HA -0.064 4.677 4.740 0.001 0.000 0.183 366 N C 1.925 177.293 175.510 -0.237 0.000 1.017 366 N CA 1.336 54.218 53.050 -0.280 0.000 0.861 366 N CB -0.419 37.812 38.487 -0.427 0.000 0.986 366 N HN 0.417 nan 8.380 nan 0.000 0.428 367 A N 1.149 123.836 122.820 -0.222 0.000 1.873 367 A HA -0.168 4.153 4.320 0.001 0.000 0.218 367 A C 2.253 179.711 177.584 -0.210 0.000 1.193 367 A CA 1.303 53.219 52.037 -0.201 0.000 0.629 367 A CB -0.797 18.088 19.000 -0.193 0.000 0.826 367 A HN 0.240 nan 8.150 nan 0.000 0.447 368 I N -0.297 120.137 120.570 -0.227 0.000 2.252 368 I HA -0.171 3.999 4.170 0.001 0.000 0.245 368 I C 2.451 178.384 176.117 -0.307 0.000 1.102 368 I CA 1.784 62.914 61.300 -0.283 0.000 1.385 368 I CB -0.534 37.303 38.000 -0.273 0.000 1.064 368 I HN 0.453 nan 8.210 nan 0.000 0.414 369 R N 0.470 120.808 120.500 -0.270 0.000 2.080 369 R HA -0.223 4.117 4.340 0.001 0.000 0.236 369 R C 2.153 178.235 176.300 -0.362 0.000 1.137 369 R CA 2.375 58.267 56.100 -0.347 0.000 0.943 369 R CB -0.663 29.518 30.300 -0.199 0.000 0.846 369 R HN 0.495 nan 8.270 nan 0.000 0.431 370 N N -0.944 117.607 118.700 -0.248 0.000 2.036 370 N HA -0.256 4.484 4.740 0.001 0.000 0.195 370 N C 1.796 177.201 175.510 -0.174 0.000 1.037 370 N CA 1.700 54.631 53.050 -0.199 0.000 0.855 370 N CB -0.288 38.102 38.487 -0.161 0.000 1.033 370 N HN 0.240 nan 8.380 nan 0.000 0.423 371 Y N 1.602 121.726 120.300 -0.294 0.000 2.145 371 Y HA -0.165 4.385 4.550 0.001 0.000 0.286 371 Y C 2.373 178.098 175.900 -0.290 0.000 1.145 371 Y CA 1.417 59.357 58.100 -0.266 0.000 1.148 371 Y CB -0.529 37.771 38.460 -0.266 0.000 0.981 371 Y HN 0.053 nan 8.280 nan 0.000 0.507 372 A N 0.700 123.333 122.820 -0.312 0.000 1.927 372 A HA -0.290 4.031 4.320 0.001 0.000 0.220 372 A C 2.250 179.608 177.584 -0.376 0.000 1.185 372 A CA 2.286 54.112 52.037 -0.353 0.000 0.639 372 A CB -1.569 17.139 19.000 -0.488 0.000 0.820 372 A HN 0.758 nan 8.150 nan 0.000 0.451 373 I N -2.238 118.045 120.570 -0.478 0.000 2.830 373 I HA -0.074 4.096 4.170 0.001 0.000 0.263 373 I C 1.994 177.983 176.117 -0.213 0.000 1.230 373 I CA 1.750 62.866 61.300 -0.307 0.000 1.480 373 I CB -0.109 37.731 38.000 -0.267 0.000 1.095 373 I HN 0.106 nan 8.210 nan 0.000 0.455 374 S N 1.242 116.779 115.700 -0.272 0.000 2.382 374 S HA -0.073 4.397 4.470 0.001 0.000 0.228 374 S C 1.692 176.141 174.600 -0.252 0.000 1.027 374 S CA 1.368 59.410 58.200 -0.264 0.000 0.991 374 S CB -0.096 62.854 63.200 -0.417 0.000 0.823 374 S HN 0.494 nan 8.310 nan 0.000 0.469 375 K N 0.464 120.686 120.400 -0.296 0.000 2.360 375 K HA 0.276 4.596 4.320 0.001 0.000 0.196 375 K C -0.331 176.220 176.600 -0.082 0.000 1.049 375 K CA 0.179 56.343 56.287 -0.205 0.000 1.049 375 K CB 0.139 32.470 32.500 -0.282 0.000 0.881 375 K HN 0.162 nan 8.250 nan 0.000 0.542 376 D N 1.113 121.487 120.400 -0.043 0.000 2.375 376 D HA 0.027 4.667 4.640 0.001 0.000 0.259 376 D C 0.743 177.088 176.300 0.076 0.000 1.235 376 D CA -0.161 53.867 54.000 0.047 0.000 0.924 376 D CB 1.063 41.935 40.800 0.121 0.000 1.143 376 D HN 0.037 nan 8.370 nan 0.000 0.529 377 T N -0.206 114.375 114.554 0.045 0.000 3.077 377 T HA -0.012 4.339 4.350 0.001 0.000 0.269 377 T C 1.588 176.345 174.700 0.094 0.000 1.146 377 T CA 0.998 63.128 62.100 0.050 0.000 1.091 377 T CB -0.004 68.880 68.868 0.026 0.000 0.892 377 T HN 0.297 nan 8.240 nan 0.000 0.533 378 G N -0.567 108.310 108.800 0.129 0.000 2.887 378 G HA2 0.170 4.130 3.960 0.001 0.000 0.211 378 G HA3 0.170 4.130 3.960 0.001 0.000 0.211 378 G C 0.876 175.906 174.900 0.216 0.000 1.152 378 G CA -0.097 45.095 45.100 0.154 0.000 0.769 378 G HN 0.457 nan 8.290 nan 0.000 0.541 379 F N 2.580 122.570 119.950 0.065 0.000 2.025 379 F HA -0.237 4.291 4.527 0.001 0.000 0.297 379 F C 2.722 178.571 175.800 0.081 0.000 1.132 379 F CA 2.393 60.432 58.000 0.065 0.000 1.191 379 F CB -0.497 38.516 39.000 0.022 0.000 0.963 379 F HN 0.061 nan 8.300 nan 0.000 0.481 380 V N -1.234 118.908 119.914 0.380 0.000 2.794 380 V HA -0.222 3.899 4.120 0.001 0.000 0.260 380 V C 1.541 177.672 176.094 0.062 0.000 1.103 380 V CA 2.344 64.762 62.300 0.198 0.000 1.125 380 V CB -1.945 29.996 31.823 0.197 0.000 0.702 380 V HN 0.617 nan 8.190 nan 0.000 0.494 381 T N -4.290 110.304 114.554 0.067 0.000 3.044 381 T HA 0.243 4.594 4.350 0.001 0.000 0.260 381 T C 0.419 175.128 174.700 0.015 0.000 1.019 381 T CA -0.108 62.009 62.100 0.028 0.000 0.921 381 T CB -0.388 68.492 68.868 0.021 0.000 1.053 381 T HN 0.511 nan 8.240 nan 0.000 0.533 382 Y N 3.025 123.269 120.300 -0.095 0.000 2.465 382 Y HA 0.474 5.024 4.550 0.001 0.000 0.331 382 Y C 0.245 176.070 175.900 -0.124 0.000 1.102 382 Y CA -1.427 56.614 58.100 -0.098 0.000 1.358 382 Y CB 0.490 38.895 38.460 -0.093 0.000 1.213 382 Y HN -0.140 nan 8.280 nan 0.000 0.525 383 K N 5.976 126.241 120.400 -0.225 0.000 2.349 383 K HA 0.067 4.388 4.320 0.001 0.000 0.289 383 K C 0.019 176.686 176.600 0.112 0.000 1.064 383 K CA 0.087 56.328 56.287 -0.077 0.000 0.947 383 K CB -0.038 32.355 32.500 -0.178 0.000 1.007 383 K HN 0.809 nan 8.250 nan 0.000 0.478 384 N N 2.358 121.119 118.700 0.101 0.000 2.232 384 N HA -0.121 4.620 4.740 0.001 0.000 0.251 384 N C -1.181 174.477 175.510 0.248 0.000 1.242 384 N CA 0.390 53.526 53.050 0.142 0.000 0.837 384 N CB 0.322 38.822 38.487 0.021 0.000 1.079 384 N HN 0.402 nan 8.380 nan 0.000 0.461 385 W N 7.305 128.629 121.300 0.040 0.000 2.756 385 W HA 0.459 5.120 4.660 0.001 0.000 0.333 385 W C -2.841 173.685 176.519 0.011 0.000 1.025 385 W CA -2.638 54.712 57.345 0.008 0.000 1.246 385 W CB 0.914 30.410 29.460 0.059 0.000 1.358 385 W HN 0.361 nan 8.180 nan 0.000 0.444 386 P HA 0.109 nan 4.420 nan 0.000 0.270 386 P C 0.774 178.039 177.300 -0.058 0.000 1.242 386 P CA 0.282 63.382 63.100 0.001 0.000 0.768 386 P CB 0.481 32.097 31.700 -0.139 0.000 0.820 387 I N 0.501 120.975 120.570 -0.160 0.000 3.941 387 I HA 0.352 4.522 4.170 0.001 0.000 0.321 387 I C -0.056 176.155 176.117 0.157 0.000 1.284 387 I CA 0.102 61.278 61.300 -0.207 0.000 1.226 387 I CB -0.021 37.687 38.000 -0.486 0.000 1.045 387 I HN 0.104 nan 8.210 nan 0.000 0.420 388 Y N 1.693 122.048 120.300 0.091 0.000 2.592 388 Y HA 0.603 5.153 4.550 0.001 0.000 0.334 388 Y C -1.490 174.483 175.900 0.123 0.000 1.136 388 Y CA -1.320 56.837 58.100 0.095 0.000 1.042 388 Y CB 1.437 39.913 38.460 0.027 0.000 1.325 388 Y HN 0.032 nan 8.280 nan 0.000 0.457 389 K N 3.505 123.343 120.400 -0.937 0.000 2.557 389 K HA 0.495 4.815 4.320 0.001 0.000 0.261 389 K C -2.308 173.949 176.600 -0.572 0.000 0.932 389 K CA -0.527 55.462 56.287 -0.496 0.000 0.829 389 K CB 1.902 34.148 32.500 -0.423 0.000 1.358 389 K HN 0.788 nan 8.250 nan 0.000 0.430 390 D N 0.602 120.856 120.400 -0.244 0.000 2.636 390 D HA 0.240 4.881 4.640 0.001 0.000 0.275 390 D C 0.024 176.275 176.300 -0.082 0.000 1.130 390 D CA -0.562 53.362 54.000 -0.126 0.000 1.031 390 D CB 0.732 41.555 40.800 0.038 0.000 1.451 390 D HN 0.421 nan 8.370 nan 0.000 0.505 391 D N -0.929 119.435 120.400 -0.060 0.000 2.309 391 D HA -0.078 4.563 4.640 0.001 0.000 0.212 391 D C 1.101 177.368 176.300 -0.054 0.000 0.968 391 D CA 1.810 55.771 54.000 -0.066 0.000 0.882 391 D CB -0.094 40.670 40.800 -0.060 0.000 0.918 391 D HN 0.609 nan 8.370 nan 0.000 0.503 392 T N -2.785 111.762 114.554 -0.011 0.000 3.145 392 T HA 0.203 4.554 4.350 0.001 0.000 0.281 392 T C 0.256 174.988 174.700 0.053 0.000 1.003 392 T CA -0.392 61.709 62.100 0.001 0.000 0.901 392 T CB 0.504 69.385 68.868 0.022 0.000 1.112 392 T HN -0.213 nan 8.240 nan 0.000 0.535 393 T N 1.911 116.507 114.554 0.071 0.000 2.909 393 T HA 0.712 5.063 4.350 0.001 0.000 0.299 393 T C -1.354 173.436 174.700 0.150 0.000 1.073 393 T CA -0.672 61.522 62.100 0.158 0.000 0.999 393 T CB 2.291 71.333 68.868 0.291 0.000 1.098 393 T HN 0.410 nan 8.240 nan 0.000 0.477 394 I N 1.329 122.027 120.570 0.213 0.000 2.730 394 I HA 0.822 4.992 4.170 0.001 0.000 0.298 394 I C -1.557 174.729 176.117 0.281 0.000 1.089 394 I CA -0.981 60.459 61.300 0.233 0.000 1.041 394 I CB 1.581 39.725 38.000 0.241 0.000 1.235 394 I HN 0.842 nan 8.210 nan 0.000 0.423 395 A N 7.894 130.884 122.820 0.284 0.000 2.449 395 A HA 0.853 5.174 4.320 0.001 0.000 0.302 395 A C -1.007 176.654 177.584 0.129 0.000 1.048 395 A CA -0.722 51.437 52.037 0.204 0.000 0.708 395 A CB 1.743 20.860 19.000 0.194 0.000 1.274 395 A HN 0.709 nan 8.150 nan 0.000 0.410 396 M N 1.089 120.730 119.600 0.069 0.000 2.690 396 M HA 0.768 5.249 4.480 0.001 0.000 0.302 396 M C -0.312 175.939 176.300 -0.081 0.000 1.234 396 M CA -0.773 54.526 55.300 -0.002 0.000 0.853 396 M CB 2.243 34.873 32.600 0.051 0.000 1.748 396 M HN 0.750 nan 8.290 nan 0.000 0.469 397 R N 1.380 121.804 120.500 -0.126 0.000 2.574 397 R HA 0.662 5.003 4.340 0.001 0.000 0.288 397 R C -1.948 174.305 176.300 -0.080 0.000 1.004 397 R CA -0.641 55.362 56.100 -0.161 0.000 0.895 397 R CB 2.355 32.436 30.300 -0.365 0.000 1.191 397 R HN 0.894 nan 8.270 nan 0.000 0.444 398 K N 2.898 123.178 120.400 -0.200 0.000 2.535 398 K HA 0.601 4.922 4.320 0.001 0.000 0.251 398 K C -1.531 174.762 176.600 -0.510 0.000 0.942 398 K CA -0.089 55.970 56.287 -0.380 0.000 0.798 398 K CB 2.034 34.356 32.500 -0.296 0.000 1.267 398 K HN 0.922 nan 8.250 nan 0.000 0.434 399 G N 1.424 109.742 108.800 -0.803 0.000 2.465 399 G HA2 -0.082 3.878 3.960 0.001 0.000 0.681 399 G HA3 -0.082 3.878 3.960 0.001 0.000 0.681 399 G C -0.837 173.795 174.900 -0.447 0.000 1.340 399 G CA -0.881 44.048 45.100 -0.284 0.000 0.884 399 G HN 0.508 nan 8.290 nan 0.000 0.650 400 T N 2.332 116.846 114.554 -0.066 0.000 2.946 400 T HA 0.247 4.598 4.350 0.001 0.000 0.312 400 T C 0.616 175.300 174.700 -0.026 0.000 1.066 400 T CA 0.504 62.618 62.100 0.024 0.000 1.138 400 T CB 0.246 69.159 68.868 0.076 0.000 1.014 400 T HN 0.533 nan 8.240 nan 0.000 0.544 401 D N 1.642 122.067 120.400 0.043 0.000 2.571 401 D HA 0.213 4.853 4.640 0.001 0.000 0.231 401 D C 1.461 177.761 176.300 -0.001 0.000 1.133 401 D CA 1.648 55.657 54.000 0.016 0.000 0.862 401 D CB 0.383 41.223 40.800 0.067 0.000 1.179 401 D HN 0.870 nan 8.370 nan 0.000 0.474 402 G N 1.579 110.367 108.800 -0.020 0.000 2.336 402 G HA2 -0.303 3.658 3.960 0.001 0.000 0.233 402 G HA3 -0.303 3.658 3.960 0.001 0.000 0.233 402 G C 0.904 175.792 174.900 -0.020 0.000 1.053 402 G CA 0.355 45.455 45.100 -0.001 0.000 0.625 402 G HN 0.477 nan 8.290 nan 0.000 0.511 403 S N 1.697 117.377 115.700 -0.033 0.000 2.749 403 S HA 0.276 4.747 4.470 0.001 0.000 0.246 403 S C 0.563 175.176 174.600 0.022 0.000 1.023 403 S CA 0.271 58.431 58.200 -0.067 0.000 1.012 403 S CB 0.589 63.800 63.200 0.018 0.000 0.942 403 S HN 0.883 nan 8.310 nan 0.000 0.531 404 Q N 1.725 121.535 119.800 0.017 0.000 2.314 404 Q HA 0.332 4.673 4.340 0.001 0.000 0.258 404 Q C -0.615 175.512 176.000 0.212 0.000 0.954 404 Q CA 0.140 55.949 55.803 0.010 0.000 0.890 404 Q CB 0.634 29.243 28.738 -0.215 0.000 1.210 404 Q HN 0.366 nan 8.270 nan 0.000 0.410 405 I N 2.437 123.155 120.570 0.248 0.000 2.353 405 I HA 0.276 4.446 4.170 0.001 0.000 0.293 405 I C -0.510 175.699 176.117 0.154 0.000 0.992 405 I CA -1.111 60.372 61.300 0.305 0.000 1.268 405 I CB 1.749 39.952 38.000 0.340 0.000 1.387 405 I HN 0.374 nan 8.210 nan 0.000 0.478 406 V N 5.234 125.256 119.914 0.181 0.000 2.378 406 V HA 0.314 4.435 4.120 0.001 0.000 0.288 406 V C 0.044 176.190 176.094 0.086 0.000 1.016 406 V CA -0.402 61.950 62.300 0.087 0.000 0.840 406 V CB 1.731 33.614 31.823 0.101 0.000 0.994 406 V HN 0.736 nan 8.190 nan 0.000 0.431 407 T N 6.556 121.146 114.554 0.059 0.000 2.795 407 T HA 0.688 5.039 4.350 0.001 0.000 0.282 407 T C -0.295 174.456 174.700 0.085 0.000 0.980 407 T CA -0.082 62.058 62.100 0.066 0.000 1.012 407 T CB 0.982 69.881 68.868 0.052 0.000 0.936 407 T HN 0.390 nan 8.240 nan 0.000 0.457 408 I N 4.055 124.676 120.570 0.084 0.000 2.382 408 I HA 0.393 4.563 4.170 0.001 0.000 0.285 408 I C -0.438 175.762 176.117 0.138 0.000 1.007 408 I CA -0.434 60.931 61.300 0.109 0.000 1.142 408 I CB 1.010 39.047 38.000 0.061 0.000 1.289 408 I HN 0.323 nan 8.210 nan 0.000 0.453 409 L N 5.069 126.419 121.223 0.212 0.000 2.334 409 L HA 0.766 5.107 4.340 0.001 0.000 0.272 409 L C 0.158 177.225 176.870 0.329 0.000 1.020 409 L CA -0.481 54.525 54.840 0.275 0.000 0.812 409 L CB 1.995 44.278 42.059 0.374 0.000 1.264 409 L HN 0.676 nan 8.230 nan 0.000 0.439 410 S N 0.057 115.972 115.700 0.359 0.000 2.579 410 S HA 0.337 4.808 4.470 0.001 0.000 0.272 410 S C -0.471 174.308 174.600 0.298 0.000 1.141 410 S CA -0.838 57.529 58.200 0.278 0.000 0.843 410 S CB 1.777 65.101 63.200 0.207 0.000 1.122 410 S HN 0.810 nan 8.310 nan 0.000 0.468 411 N N 0.841 119.612 118.700 0.118 0.000 2.275 411 N HA 0.206 4.946 4.740 0.001 0.000 0.236 411 N C 0.729 176.294 175.510 0.092 0.000 1.154 411 N CA -0.739 52.366 53.050 0.092 0.000 0.866 411 N CB 0.192 38.599 38.487 -0.133 0.000 1.093 411 N HN 0.442 nan 8.380 nan 0.000 0.515 412 K N 0.828 121.294 120.400 0.109 0.000 2.283 412 K HA 0.003 4.324 4.320 0.001 0.000 0.202 412 K C 1.051 177.713 176.600 0.103 0.000 1.048 412 K CA 0.999 57.344 56.287 0.096 0.000 0.948 412 K CB -0.160 32.413 32.500 0.122 0.000 0.742 412 K HN 0.466 nan 8.250 nan 0.000 0.458 413 G N -0.358 108.519 108.800 0.129 0.000 2.698 413 G HA2 -0.243 3.718 3.960 0.001 0.000 0.225 413 G HA3 -0.243 3.718 3.960 0.001 0.000 0.225 413 G C 0.464 175.429 174.900 0.107 0.000 1.345 413 G CA -0.225 44.949 45.100 0.124 0.000 0.871 413 G HN 0.192 nan 8.290 nan 0.000 0.540 414 A N -0.513 122.366 122.820 0.098 0.000 2.168 414 A HA 0.395 4.716 4.320 0.001 0.000 0.215 414 A C 2.370 179.996 177.584 0.071 0.000 1.152 414 A CA 2.488 54.574 52.037 0.082 0.000 0.716 414 A CB -0.462 18.585 19.000 0.079 0.000 0.794 414 A HN 1.418 nan 8.150 nan 0.000 0.465 415 S N -0.766 114.976 115.700 0.070 0.000 2.327 415 S HA 0.460 4.930 4.470 0.001 0.000 0.157 415 S C 1.092 175.737 174.600 0.075 0.000 1.227 415 S CA 0.254 58.491 58.200 0.062 0.000 1.907 415 S CB -1.000 62.232 63.200 0.052 0.000 0.563 415 S HN 1.770 nan 8.310 nan 0.000 0.377 416 G N 3.830 112.675 108.800 0.076 0.000 3.138 416 G HA2 -0.113 3.848 3.960 0.001 0.000 0.685 416 G HA3 -0.113 3.848 3.960 0.001 0.000 0.685 416 G C -0.603 174.364 174.900 0.112 0.000 0.995 416 G CA -0.040 45.121 45.100 0.101 0.000 0.849 416 G HN 0.645 nan 8.290 nan 0.000 0.537 417 D N 0.446 120.917 120.400 0.119 0.000 2.363 417 D HA 0.457 5.097 4.640 0.001 0.000 0.240 417 D C 0.766 177.206 176.300 0.234 0.000 1.236 417 D CA 0.271 54.349 54.000 0.130 0.000 0.927 417 D CB 0.874 41.709 40.800 0.059 0.000 1.150 417 D HN 1.153 nan 8.370 nan 0.000 0.458 418 S N -0.342 115.480 115.700 0.202 0.000 2.449 418 S HA 0.616 5.086 4.470 0.001 0.000 0.310 418 S C -0.841 173.923 174.600 0.273 0.000 1.096 418 S CA -0.825 57.484 58.200 0.182 0.000 1.095 418 S CB 0.510 63.761 63.200 0.086 0.000 1.007 418 S HN 0.631 nan 8.310 nan 0.000 0.474 419 Y N -1.355 118.952 120.300 0.013 0.000 2.725 419 Y HA 0.800 5.350 4.550 0.001 0.000 0.333 419 Y C -0.694 175.210 175.900 0.006 0.000 1.242 419 Y CA -1.195 56.911 58.100 0.010 0.000 1.059 419 Y CB 0.837 39.304 38.460 0.012 0.000 1.306 419 Y HN 0.599 nan 8.280 nan 0.000 0.454 420 T N 1.824 116.405 114.554 0.045 0.000 2.823 420 T HA 0.614 4.964 4.350 0.001 0.000 0.279 420 T C -1.667 172.986 174.700 -0.078 0.000 0.998 420 T CA -0.562 61.471 62.100 -0.112 0.000 0.994 420 T CB 0.708 69.553 68.868 -0.038 0.000 0.960 420 T HN 0.798 nan 8.240 nan 0.000 0.448 421 L N 4.689 125.806 121.223 -0.177 0.000 2.282 421 L HA 0.622 4.963 4.340 0.001 0.000 0.288 421 L C -0.249 176.566 176.870 -0.091 0.000 1.033 421 L CA 0.085 54.876 54.840 -0.082 0.000 0.807 421 L CB 1.697 43.670 42.059 -0.143 0.000 1.209 421 L HN 0.671 nan 8.230 nan 0.000 0.423 422 S N 6.313 121.973 115.700 -0.066 0.000 2.415 422 S HA 0.432 4.903 4.470 0.001 0.000 0.313 422 S C -0.470 174.040 174.600 -0.149 0.000 1.067 422 S CA -0.432 57.722 58.200 -0.076 0.000 1.099 422 S CB 0.450 63.630 63.200 -0.034 0.000 0.991 422 S HN 0.543 nan 8.310 nan 0.000 0.491 423 L N 4.607 125.721 121.223 -0.181 0.000 2.281 423 L HA 0.490 4.831 4.340 0.001 0.000 0.285 423 L C 0.077 176.857 176.870 -0.149 0.000 1.074 423 L CA 0.240 54.918 54.840 -0.270 0.000 0.817 423 L CB 0.677 42.593 42.059 -0.239 0.000 1.168 423 L HN 0.599 nan 8.230 nan 0.000 0.434 424 S N 2.536 118.147 115.700 -0.147 0.000 2.593 424 S HA 0.838 5.308 4.470 0.001 0.000 0.297 424 S C 0.627 175.202 174.600 -0.042 0.000 1.112 424 S CA -0.213 57.957 58.200 -0.051 0.000 1.043 424 S CB 1.628 64.829 63.200 0.001 0.000 1.054 424 S HN 1.422 nan 8.310 nan 0.000 0.516 425 G N -0.116 108.659 108.800 -0.042 0.000 2.134 425 G HA2 -0.052 3.908 3.960 0.001 0.000 0.209 425 G HA3 -0.052 3.908 3.960 0.001 0.000 0.209 425 G C 0.660 175.444 174.900 -0.194 0.000 0.993 425 G CA 0.094 45.146 45.100 -0.079 0.000 0.669 425 G HN 1.273 nan 8.290 nan 0.000 0.519 426 A N -0.121 122.590 122.820 -0.181 0.000 1.935 426 A HA 0.562 4.883 4.320 0.001 0.000 0.214 426 A C 2.613 179.907 177.584 -0.484 0.000 1.178 426 A CA 2.063 53.914 52.037 -0.311 0.000 0.640 426 A CB -0.457 18.469 19.000 -0.124 0.000 0.825 426 A HN 2.443 nan 8.150 nan 0.000 0.447 427 G N -1.960 106.668 108.800 -0.287 0.000 2.212 427 G HA2 -0.230 3.731 3.960 0.001 0.000 0.255 427 G HA3 -0.230 3.731 3.960 0.001 0.000 0.255 427 G C -0.289 174.457 174.900 -0.258 0.000 1.062 427 G CA 0.286 45.253 45.100 -0.221 0.000 0.815 427 G HN 0.392 nan 8.290 nan 0.000 0.497 428 Y N 0.394 120.672 120.300 -0.037 0.000 2.376 428 Y HA 0.658 5.209 4.550 0.001 0.000 0.325 428 Y C 1.368 177.250 175.900 -0.031 0.000 1.199 428 Y CA -0.408 57.665 58.100 -0.045 0.000 1.206 428 Y CB 1.209 39.636 38.460 -0.056 0.000 1.229 428 Y HN 0.363 nan 8.280 nan 0.000 0.480 429 T N -0.645 113.995 114.554 0.143 0.000 2.788 429 T HA 0.666 5.016 4.350 0.001 0.000 0.287 429 T C 0.249 174.981 174.700 0.054 0.000 1.007 429 T CA -0.740 61.401 62.100 0.069 0.000 1.005 429 T CB 0.718 69.612 68.868 0.043 0.000 1.012 429 T HN 0.842 nan 8.240 nan 0.000 0.530 430 A N 0.285 123.125 122.820 0.033 0.000 2.462 430 A HA 0.536 4.856 4.320 0.001 0.000 0.243 430 A C 1.706 179.294 177.584 0.006 0.000 1.076 430 A CA 0.145 52.193 52.037 0.019 0.000 0.773 430 A CB -1.271 17.738 19.000 0.015 0.000 1.010 430 A HN 2.339 nan 8.150 nan 0.000 0.493 431 G N 0.470 109.269 108.800 -0.002 0.000 2.189 431 G HA2 -0.312 3.648 3.960 0.001 0.000 0.267 431 G HA3 -0.312 3.648 3.960 0.001 0.000 0.267 431 G C 0.433 175.319 174.900 -0.024 0.000 0.975 431 G CA 0.876 45.969 45.100 -0.013 0.000 0.644 431 G HN 1.234 nan 8.290 nan 0.000 0.537 432 Q N 0.319 120.104 119.800 -0.025 0.000 2.332 432 Q HA 0.498 4.838 4.340 0.001 0.000 0.263 432 Q C 0.386 176.328 176.000 -0.096 0.000 0.979 432 Q CA -0.067 55.703 55.803 -0.055 0.000 0.885 432 Q CB 0.379 29.088 28.738 -0.048 0.000 1.218 432 Q HN 0.494 nan 8.270 nan 0.000 0.405 433 Q N 3.607 123.343 119.800 -0.106 0.000 2.274 433 Q HA 0.442 4.783 4.340 0.001 0.000 0.256 433 Q C -1.431 174.464 176.000 -0.174 0.000 0.927 433 Q CA -0.305 55.429 55.803 -0.114 0.000 0.939 433 Q CB 0.648 29.338 28.738 -0.080 0.000 1.201 433 Q HN 0.628 nan 8.270 nan 0.000 0.426 434 L N 2.514 123.624 121.223 -0.189 0.000 2.354 434 L HA 0.587 4.927 4.340 0.001 0.000 0.269 434 L C -0.418 176.376 176.870 -0.128 0.000 1.005 434 L CA -0.997 53.702 54.840 -0.235 0.000 0.819 434 L CB 2.334 44.174 42.059 -0.365 0.000 1.311 434 L HN 0.546 nan 8.230 nan 0.000 0.423 435 T N 0.846 115.350 114.554 -0.084 0.000 2.771 435 T HA 0.165 4.515 4.350 0.001 0.000 0.281 435 T C -0.210 174.470 174.700 -0.033 0.000 0.982 435 T CA -0.411 61.662 62.100 -0.045 0.000 0.978 435 T CB 1.385 70.244 68.868 -0.015 0.000 0.930 435 T HN 0.367 nan 8.240 nan 0.000 0.447 436 E N 3.462 123.639 120.200 -0.039 0.000 2.070 436 E HA 0.094 4.445 4.350 0.001 0.000 0.282 436 E C 1.073 177.652 176.600 -0.035 0.000 1.104 436 E CA -0.295 56.086 56.400 -0.030 0.000 0.876 436 E CB 0.695 30.375 29.700 -0.035 0.000 1.055 436 E HN 0.570 nan 8.360 nan 0.000 0.401 437 V N 3.059 122.951 119.914 -0.037 0.000 3.573 437 V HA -0.024 4.096 4.120 0.001 0.000 0.270 437 V C 1.473 177.527 176.094 -0.067 0.000 1.221 437 V CA 0.172 62.434 62.300 -0.063 0.000 1.163 437 V CB -0.456 31.312 31.823 -0.092 0.000 0.847 437 V HN 0.451 nan 8.190 nan 0.000 0.468 438 I N 2.446 122.986 120.570 -0.050 0.000 2.364 438 I HA 0.182 4.353 4.170 0.001 0.000 0.241 438 I C 2.488 178.581 176.117 -0.041 0.000 1.082 438 I CA 1.884 63.156 61.300 -0.047 0.000 1.401 438 I CB -1.596 36.384 38.000 -0.035 0.000 1.126 438 I HN 0.439 nan 8.210 nan 0.000 0.429 439 G N -0.845 107.934 108.800 -0.035 0.000 3.042 439 G HA2 0.009 3.969 3.960 0.001 0.000 0.212 439 G HA3 0.009 3.969 3.960 0.001 0.000 0.212 439 G C 0.708 175.586 174.900 -0.035 0.000 1.166 439 G CA 0.198 45.279 45.100 -0.031 0.000 0.767 439 G HN 0.488 nan 8.290 nan 0.000 0.546 440 c N 0.754 119.329 118.600 -0.043 0.000 3.514 440 c HA -0.099 4.472 4.570 0.001 0.000 0.286 440 c C 0.925 174.991 174.090 -0.039 0.000 1.302 440 c CA 0.692 56.994 56.329 -0.045 0.000 2.239 440 c CB -2.980 39.501 42.510 -0.048 0.000 1.429 440 c HN 0.527 nan 8.230 nan 0.000 0.565 441 T N 0.129 114.659 114.554 -0.039 0.000 2.930 441 T HA 0.836 5.186 4.350 0.001 0.000 0.290 441 T C 0.150 174.824 174.700 -0.044 0.000 1.052 441 T CA 0.502 62.579 62.100 -0.038 0.000 1.017 441 T CB 1.794 70.641 68.868 -0.036 0.000 1.137 441 T HN 0.743 nan 8.240 nan 0.000 0.511 442 T N -0.558 113.969 114.554 -0.045 0.000 2.912 442 T HA 0.789 5.140 4.350 0.001 0.000 0.288 442 T C -0.416 174.250 174.700 -0.058 0.000 1.030 442 T CA -0.677 61.391 62.100 -0.054 0.000 1.020 442 T CB 1.339 70.178 68.868 -0.050 0.000 1.056 442 T HN 0.908 nan 8.240 nan 0.000 0.480 443 V N -0.584 119.287 119.914 -0.070 0.000 3.049 443 V HA 0.856 4.977 4.120 0.001 0.000 0.309 443 V C -1.066 174.980 176.094 -0.079 0.000 1.148 443 V CA -0.594 61.666 62.300 -0.068 0.000 0.990 443 V CB 2.099 33.881 31.823 -0.068 0.000 1.039 443 V HN 1.122 nan 8.190 nan 0.000 0.430 444 T N 3.597 118.113 114.554 -0.063 0.000 2.792 444 T HA 0.517 4.868 4.350 0.001 0.000 0.280 444 T C -0.329 174.343 174.700 -0.046 0.000 0.990 444 T CA -0.338 61.727 62.100 -0.060 0.000 0.960 444 T CB 1.370 70.212 68.868 -0.043 0.000 0.939 444 T HN 0.828 nan 8.240 nan 0.000 0.439 445 V N 4.609 124.496 119.914 -0.046 0.000 2.458 445 V HA 0.144 4.265 4.120 0.001 0.000 0.287 445 V C 1.969 178.060 176.094 -0.005 0.000 1.009 445 V CA 0.836 63.128 62.300 -0.013 0.000 1.091 445 V CB -0.027 31.801 31.823 0.007 0.000 0.960 445 V HN 1.171 nan 8.190 nan 0.000 0.476 446 G N 4.586 113.385 108.800 -0.002 0.000 3.051 446 G HA2 -0.414 3.547 3.960 0.001 0.000 0.266 446 G HA3 -0.414 3.547 3.960 0.001 0.000 0.266 446 G C 1.168 176.068 174.900 0.001 0.000 1.060 446 G CA 2.552 47.651 45.100 -0.001 0.000 0.757 446 G HN 1.709 nan 8.290 nan 0.000 0.926 447 S N -2.413 113.291 115.700 0.006 0.000 2.254 447 S HA -0.156 4.315 4.470 0.001 0.000 0.183 447 S C 0.873 175.479 174.600 0.010 0.000 0.611 447 S CA 1.250 59.454 58.200 0.006 0.000 1.225 447 S CB -1.364 61.837 63.200 0.003 0.000 0.789 447 S HN 0.941 nan 8.310 nan 0.000 0.483 448 D N 1.524 121.930 120.400 0.010 0.000 2.363 448 D HA 0.459 5.100 4.640 0.001 0.000 0.214 448 D C 1.537 177.847 176.300 0.016 0.000 1.093 448 D CA 1.033 55.041 54.000 0.013 0.000 0.837 448 D CB -0.014 40.792 40.800 0.011 0.000 0.948 448 D HN 1.473 nan 8.370 nan 0.000 0.507 449 G N 0.516 109.328 108.800 0.019 0.000 2.225 449 G HA2 -0.299 3.662 3.960 0.001 0.000 0.254 449 G HA3 -0.299 3.662 3.960 0.001 0.000 0.254 449 G C 0.102 175.015 174.900 0.022 0.000 0.988 449 G CA -0.059 45.057 45.100 0.027 0.000 0.625 449 G HN 0.481 nan 8.290 nan 0.000 0.527 450 N N 0.231 118.937 118.700 0.009 0.000 2.520 450 N HA 0.389 5.130 4.740 0.001 0.000 0.273 450 N C -0.043 175.465 175.510 -0.004 0.000 1.155 450 N CA 0.087 53.134 53.050 -0.005 0.000 0.967 450 N CB 1.330 39.809 38.487 -0.013 0.000 1.092 450 N HN 0.087 nan 8.380 nan 0.000 0.457 451 V N 4.123 124.030 119.914 -0.011 0.000 2.333 451 V HA 0.252 4.373 4.120 0.001 0.000 0.274 451 V C -2.133 173.933 176.094 -0.046 0.000 1.028 451 V CA -1.750 60.540 62.300 -0.016 0.000 0.851 451 V CB 0.954 32.783 31.823 0.009 0.000 1.000 451 V HN 0.586 nan 8.190 nan 0.000 0.456 452 P HA 0.212 nan 4.420 nan 0.000 0.273 452 P C -0.432 176.826 177.300 -0.070 0.000 1.428 452 P CA -0.027 63.041 63.100 -0.053 0.000 0.995 452 P CB 0.733 32.410 31.700 -0.039 0.000 1.286 453 V N 7.143 127.001 119.914 -0.094 0.000 2.407 453 V HA 0.293 4.414 4.120 0.001 0.000 0.278 453 V C -2.017 173.985 176.094 -0.154 0.000 1.037 453 V CA -1.946 60.289 62.300 -0.109 0.000 0.900 453 V CB 1.335 33.095 31.823 -0.105 0.000 0.983 453 V HN 0.379 nan 8.190 nan 0.000 0.459 454 P HA 0.387 nan 4.420 nan 0.000 0.287 454 P C -0.736 176.455 177.300 -0.181 0.000 1.307 454 P CA -0.211 62.803 63.100 -0.143 0.000 0.777 454 P CB 0.605 32.253 31.700 -0.086 0.000 0.883 455 M N 2.596 122.019 119.600 -0.294 0.000 2.528 455 M HA 0.850 5.331 4.480 0.001 0.000 0.321 455 M C -0.254 175.968 176.300 -0.131 0.000 1.153 455 M CA -0.713 54.418 55.300 -0.282 0.000 0.951 455 M CB 2.241 34.476 32.600 -0.608 0.000 1.705 455 M HN 0.397 nan 8.290 nan 0.000 0.451 456 A N 0.418 123.226 122.820 -0.020 0.000 2.581 456 A HA 0.583 4.903 4.320 0.001 0.000 0.294 456 A C 0.267 177.883 177.584 0.053 0.000 1.035 456 A CA -0.074 51.987 52.037 0.039 0.000 0.684 456 A CB 0.319 19.328 19.000 0.016 0.000 1.282 456 A HN 1.404 nan 8.150 nan 0.000 0.417 457 G N 0.102 108.942 108.800 0.067 0.000 2.258 457 G HA2 0.168 4.129 3.960 0.001 0.000 0.274 457 G HA3 0.168 4.129 3.960 0.001 0.000 0.274 457 G C 1.924 176.871 174.900 0.079 0.000 1.021 457 G CA 1.605 46.744 45.100 0.065 0.000 0.798 457 G HN 2.969 nan 8.290 nan 0.000 0.507 458 G N -2.076 106.783 108.800 0.099 0.000 2.296 458 G HA2 -0.153 3.808 3.960 0.001 0.000 0.282 458 G HA3 -0.153 3.808 3.960 0.001 0.000 0.282 458 G C 0.409 175.371 174.900 0.104 0.000 1.014 458 G CA 0.509 45.681 45.100 0.120 0.000 0.812 458 G HN 1.176 nan 8.290 nan 0.000 0.508 459 L N 1.332 122.598 121.223 0.071 0.000 2.426 459 L HA 0.378 4.719 4.340 0.001 0.000 0.271 459 L C -1.119 175.781 176.870 0.049 0.000 1.169 459 L CA -2.220 52.650 54.840 0.050 0.000 0.836 459 L CB 0.305 42.380 42.059 0.026 0.000 1.112 459 L HN 0.042 nan 8.230 nan 0.000 0.465 460 P HA 0.207 nan 4.420 nan 0.000 0.271 460 P C -0.679 176.635 177.300 0.022 0.000 1.218 460 P CA -0.507 62.618 63.100 0.042 0.000 0.780 460 P CB 0.804 32.514 31.700 0.017 0.000 0.901 461 R N 1.618 122.132 120.500 0.023 0.000 2.534 461 R HA 0.571 4.912 4.340 0.001 0.000 0.301 461 R C -1.058 175.252 176.300 0.017 0.000 0.961 461 R CA -1.093 55.011 56.100 0.007 0.000 0.871 461 R CB 1.403 31.700 30.300 -0.005 0.000 1.170 461 R HN 0.219 nan 8.270 nan 0.000 0.446 462 V N 5.124 125.045 119.914 0.012 0.000 2.380 462 V HA 0.428 4.549 4.120 0.001 0.000 0.286 462 V C -0.027 176.093 176.094 0.043 0.000 1.015 462 V CA -0.704 61.613 62.300 0.029 0.000 0.834 462 V CB 1.698 33.524 31.823 0.006 0.000 1.009 462 V HN 0.492 nan 8.190 nan 0.000 0.428 463 L N 4.925 126.196 121.223 0.080 0.000 2.325 463 L HA 0.671 5.012 4.340 0.001 0.000 0.279 463 L C -0.874 176.093 176.870 0.161 0.000 1.054 463 L CA -0.624 54.258 54.840 0.070 0.000 0.804 463 L CB 1.530 43.640 42.059 0.085 0.000 1.200 463 L HN 0.662 nan 8.230 nan 0.000 0.436 464 Y N 3.400 123.644 120.300 -0.093 0.000 2.558 464 Y HA 0.374 4.924 4.550 0.001 0.000 0.333 464 Y C -2.617 173.191 175.900 -0.153 0.000 1.125 464 Y CA -2.115 55.950 58.100 -0.058 0.000 1.039 464 Y CB 2.384 40.843 38.460 -0.002 0.000 1.331 464 Y HN 0.335 nan 8.280 nan 0.000 0.456 465 P HA 0.061 nan 4.420 nan 0.000 0.261 465 P C 0.416 177.618 177.300 -0.162 0.000 1.203 465 P CA 0.748 63.621 63.100 -0.380 0.000 0.767 465 P CB 0.850 32.317 31.700 -0.388 0.000 0.785 466 T N 2.802 117.288 114.554 -0.112 0.000 2.699 466 T HA -0.240 4.111 4.350 0.001 0.000 0.268 466 T C 1.577 176.269 174.700 -0.012 0.000 1.036 466 T CA 1.909 63.987 62.100 -0.036 0.000 1.147 466 T CB -0.424 68.413 68.868 -0.052 0.000 0.862 466 T HN 0.601 nan 8.240 nan 0.000 0.446 467 E N 2.021 122.198 120.200 -0.040 0.000 2.049 467 E HA -0.244 4.107 4.350 0.001 0.000 0.198 467 E C 1.905 178.519 176.600 0.023 0.000 1.007 467 E CA 1.239 57.627 56.400 -0.018 0.000 0.809 467 E CB -0.382 29.296 29.700 -0.036 0.000 0.749 467 E HN 0.391 nan 8.360 nan 0.000 0.450 468 K N 0.537 120.942 120.400 0.008 0.000 2.442 468 K HA 0.016 4.337 4.320 0.001 0.000 0.198 468 K C 0.630 177.444 176.600 0.356 0.000 1.044 468 K CA 0.408 56.768 56.287 0.123 0.000 0.948 468 K CB -0.215 32.279 32.500 -0.009 0.000 0.762 468 K HN 0.257 nan 8.250 nan 0.000 0.472 469 L N 0.436 121.821 121.223 0.269 0.000 2.319 469 L HA 0.111 4.451 4.340 0.001 0.000 0.280 469 L C 0.723 177.645 176.870 0.086 0.000 1.099 469 L CA -0.346 54.582 54.840 0.147 0.000 0.828 469 L CB 1.320 43.401 42.059 0.037 0.000 1.150 469 L HN 0.047 nan 8.230 nan 0.000 0.442 470 A N 2.599 125.471 122.820 0.087 0.000 1.730 470 A HA 0.371 4.691 4.320 0.001 0.000 0.160 470 A C 1.178 178.780 177.584 0.031 0.000 1.746 470 A CA 0.566 52.644 52.037 0.068 0.000 1.283 470 A CB -0.430 18.641 19.000 0.119 0.000 0.995 470 A HN 0.629 nan 8.150 nan 0.000 0.764 471 G N 0.953 109.797 108.800 0.073 0.000 3.943 471 G HA2 0.443 4.404 3.960 0.001 0.000 0.275 471 G HA3 0.443 4.404 3.960 0.001 0.000 0.275 471 G C 0.005 174.918 174.900 0.021 0.000 1.234 471 G CA 0.844 45.967 45.100 0.038 0.000 1.522 471 G HN 0.564 nan 8.290 nan 0.000 0.636 472 S N -0.265 115.395 115.700 -0.067 0.000 2.537 472 S HA 0.453 4.923 4.470 0.001 0.000 0.301 472 S C 0.756 175.229 174.600 -0.212 0.000 1.092 472 S CA -0.748 57.292 58.200 -0.267 0.000 1.048 472 S CB 1.928 64.751 63.200 -0.629 0.000 1.053 472 S HN 0.266 nan 8.310 nan 0.000 0.501 473 K N 3.114 123.367 120.400 -0.244 0.000 2.358 473 K HA 0.299 4.620 4.320 0.001 0.000 0.197 473 K C 1.295 177.778 176.600 -0.194 0.000 1.025 473 K CA 0.036 56.221 56.287 -0.170 0.000 1.104 473 K CB -0.027 32.392 32.500 -0.134 0.000 0.855 473 K HN 0.707 nan 8.250 nan 0.000 0.531 474 I N 0.569 120.970 120.570 -0.281 0.000 2.076 474 I HA -0.309 3.862 4.170 0.001 0.000 0.237 474 I C 0.556 176.576 176.117 -0.161 0.000 1.059 474 I CA 1.101 62.256 61.300 -0.242 0.000 1.317 474 I CB 0.102 37.915 38.000 -0.312 0.000 1.037 474 I HN 0.105 nan 8.210 nan 0.000 0.398 475 c N 0.516 119.035 118.600 -0.135 0.000 2.321 475 c HA 0.497 5.067 4.570 0.001 0.000 0.323 475 c C 0.519 174.562 174.090 -0.079 0.000 1.191 475 c CA -0.771 55.502 56.329 -0.094 0.000 1.455 475 c CB 0.219 42.680 42.510 -0.081 0.000 2.083 475 c HN 0.264 nan 8.230 nan 0.000 0.442 476 S N 0.000 115.659 115.700 -0.069 0.000 2.498 476 S HA 0.000 4.471 4.470 0.001 0.000 0.327 476 S CA 0.000 58.166 58.200 -0.058 0.000 1.107 476 S CB 0.000 63.167 63.200 -0.056 0.000 0.593 476 S HN 0.000 nan 8.310 nan 0.000 0.517