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 3mzb_1_A DATA FIRST_RESID 2 DATA SEQUENCE APDEITTAWP VNVGPLNPHL YTPNQMFAQS MVYEPLVKYQ ADGSVIPWLA DATA SEQUENCE KSWTHSEDGK TWTFTLRDDV KFSNGEPFDA EAAAENFRAV LDNRQRHAWL DATA SEQUENCE ELANQIVDVK ALSKTELQIT LKSAYYPFLQ ELALPRPFRF IAPSQFKNHE DATA SEQUENCE TMNGIKAPIG TGPWILQESK LNQYDVFVRN ENYWGEKPAI KKITFNVIPD DATA SEQUENCE PTTRAVAFET GDIDLLYGNE GLLPLDTFAR FSQNPAYHTQ LSQPIETVML DATA SEQUENCE ALNTAKAPTN ELAVREALNY AVNKKSLIDN ALYGTQQVAD TLFAPSVPYA DATA SEQUENCE NLGLKPSQYD PQKAKALLEK AGWTLPAGKD IREKNGQPLR IELSFIGTDA DATA SEQUENCE LSKSMAEIIQ ADMRQIGADV SLIGEEESSI YARQRDGRFG MIFHRTWGAP DATA SEQUENCE YDPHAFLSSM RVPSHADFQA QQGLADKPLI DKEIGEVLAT HDETQRQALY DATA SEQUENCE RDILTRLHDE AVYLPISYIS MMVVSKPELG NIPYAPIATE IPFEQIKP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.578 177.584 -0.010 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 3 P HA 0.041 nan 4.420 nan 0.000 0.239 3 P C 0.151 177.456 177.300 0.008 0.000 1.184 3 P CA 1.489 64.588 63.100 -0.002 0.000 0.760 3 P CB 0.100 31.800 31.700 -0.001 0.000 0.884 4 D N -1.579 118.828 120.400 0.012 0.000 2.440 4 D HA 0.035 4.704 4.640 0.048 0.000 0.216 4 D C -0.056 176.261 176.300 0.028 0.000 1.150 4 D CA -0.060 53.956 54.000 0.028 0.000 0.832 4 D CB -0.078 40.742 40.800 0.033 0.000 0.992 4 D HN 0.119 nan 8.370 nan 0.000 0.502 5 E N 0.714 120.916 120.200 0.003 0.000 2.210 5 E HA 0.540 4.919 4.350 0.048 0.000 0.266 5 E C -0.237 176.336 176.600 -0.045 0.000 0.883 5 E CA -0.897 55.491 56.400 -0.019 0.000 0.761 5 E CB 2.597 32.281 29.700 -0.026 0.000 1.156 5 E HN 0.310 nan 8.360 nan 0.000 0.412 6 I N -1.370 119.149 120.570 -0.085 0.000 2.846 6 I HA 0.654 4.853 4.170 0.048 0.000 0.307 6 I C -0.678 175.336 176.117 -0.172 0.000 1.053 6 I CA -0.602 60.633 61.300 -0.107 0.000 1.050 6 I CB 2.494 40.440 38.000 -0.090 0.000 1.239 6 I HN 0.185 nan 8.210 nan 0.000 0.439 7 T N 2.675 117.144 114.554 -0.142 0.000 2.824 7 T HA 0.576 4.955 4.350 0.048 0.000 0.282 7 T C -0.336 174.278 174.700 -0.142 0.000 0.993 7 T CA -0.397 61.606 62.100 -0.162 0.000 0.967 7 T CB 1.763 70.571 68.868 -0.100 0.000 0.960 7 T HN 0.885 nan 8.240 nan 0.000 0.441 8 T N 0.780 115.202 114.554 -0.220 0.000 2.591 8 T HA 0.863 5.242 4.350 0.048 0.000 0.274 8 T C -1.700 173.005 174.700 0.007 0.000 0.945 8 T CA -0.365 61.664 62.100 -0.118 0.000 1.087 8 T CB 1.289 70.033 68.868 -0.206 0.000 1.416 8 T HN 0.853 nan 8.240 nan 0.000 0.514 9 A N 0.302 123.221 122.820 0.166 0.000 2.572 9 A HA 0.724 5.073 4.320 0.048 0.000 0.295 9 A C -1.945 175.945 177.584 0.510 0.000 1.072 9 A CA -0.692 51.519 52.037 0.289 0.000 0.691 9 A CB 1.398 20.508 19.000 0.183 0.000 1.291 9 A HN 0.706 nan 8.150 nan 0.000 0.404 10 W N 2.141 123.578 121.300 0.227 0.000 3.107 10 W HA 0.424 5.112 4.660 0.048 0.000 0.331 10 W C -2.644 173.963 176.519 0.146 0.000 1.204 10 W CA -1.912 55.547 57.345 0.190 0.000 1.184 10 W CB 2.447 32.065 29.460 0.264 0.000 1.421 10 W HN 0.524 nan 8.180 nan 0.000 0.544 11 P HA -0.120 nan 4.420 nan 0.000 0.221 11 P C 0.287 177.616 177.300 0.047 0.000 1.150 11 P CA 1.495 64.515 63.100 -0.133 0.000 0.800 11 P CB 0.262 31.800 31.700 -0.272 0.000 0.787 12 V N -5.219 114.814 119.914 0.199 0.000 3.141 12 V HA 0.486 4.635 4.120 0.048 0.000 0.312 12 V C -0.269 176.034 176.094 0.350 0.000 1.157 12 V CA -1.613 60.833 62.300 0.244 0.000 1.041 12 V CB 1.165 33.107 31.823 0.199 0.000 1.071 12 V HN -0.271 nan 8.190 nan 0.000 0.441 13 N N 0.024 118.848 118.700 0.206 0.000 2.340 13 N HA 0.268 5.037 4.740 0.048 0.000 0.236 13 N C 1.166 176.747 175.510 0.117 0.000 1.296 13 N CA 0.454 53.593 53.050 0.149 0.000 0.896 13 N CB 1.077 39.599 38.487 0.058 0.000 1.127 13 N HN 0.886 nan 8.380 nan 0.000 0.442 14 V N -1.528 118.392 119.914 0.010 0.000 3.217 14 V HA 0.291 4.440 4.120 0.048 0.000 0.264 14 V C 1.071 177.108 176.094 -0.095 0.000 1.135 14 V CA 0.677 62.900 62.300 -0.128 0.000 1.142 14 V CB -1.633 30.054 31.823 -0.227 0.000 0.754 14 V HN 0.894 nan 8.190 nan 0.000 0.484 15 G N 0.542 109.319 108.800 -0.039 0.000 2.725 15 G HA2 -0.156 3.833 3.960 0.048 0.000 0.220 15 G HA3 -0.156 3.833 3.960 0.048 0.000 0.220 15 G C -1.435 173.436 174.900 -0.049 0.000 1.357 15 G CA -0.187 44.893 45.100 -0.034 0.000 0.866 15 G HN 0.339 nan 8.290 nan 0.000 0.548 16 P HA 0.140 nan 4.420 nan 0.000 0.226 16 P C 1.253 178.539 177.300 -0.023 0.000 1.153 16 P CA 1.141 64.218 63.100 -0.038 0.000 0.777 16 P CB -0.092 31.586 31.700 -0.037 0.000 0.794 17 L N -2.480 118.731 121.223 -0.019 0.000 3.634 17 L HA -0.203 4.166 4.340 0.048 0.000 0.423 17 L C 0.222 177.144 176.870 0.086 0.000 1.253 17 L CA -0.302 54.574 54.840 0.060 0.000 0.885 17 L CB -2.298 39.817 42.059 0.093 0.000 1.789 17 L HN 0.225 nan 8.230 nan 0.000 0.904 18 N N 2.504 121.167 118.700 -0.061 0.000 2.431 18 N HA 0.128 4.896 4.740 0.048 0.000 0.265 18 N C -0.810 174.483 175.510 -0.362 0.000 1.184 18 N CA -1.442 51.486 53.050 -0.204 0.000 0.943 18 N CB 1.164 39.545 38.487 -0.177 0.000 1.080 18 N HN 0.107 nan 8.380 nan 0.000 0.477 19 P HA -0.095 nan 4.420 nan 0.000 0.225 19 P C -0.062 176.927 177.300 -0.518 0.000 1.148 19 P CA 1.432 64.007 63.100 -0.874 0.000 0.779 19 P CB 0.079 30.870 31.700 -1.514 0.000 0.780 20 H N -2.078 116.736 119.070 -0.427 0.000 2.672 20 H HA 0.349 4.934 4.556 0.048 0.000 0.277 20 H C 0.861 175.981 175.328 -0.346 0.000 1.074 20 H CA -0.564 55.245 56.048 -0.398 0.000 1.173 20 H CB 0.447 30.008 29.762 -0.334 0.000 1.558 20 H HN 0.069 nan 8.280 nan 0.000 0.539 21 L N -0.472 120.563 121.223 -0.312 0.000 2.257 21 L HA 0.368 4.737 4.340 0.048 0.000 0.257 21 L C -0.644 175.919 176.870 -0.512 0.000 1.033 21 L CA -1.095 53.554 54.840 -0.319 0.000 0.835 21 L CB 1.504 43.494 42.059 -0.115 0.000 1.398 21 L HN 0.076 nan 8.230 nan 0.000 0.429 22 Y N -1.095 119.188 120.300 -0.028 0.000 3.263 22 Y HA 0.230 4.809 4.550 0.049 0.000 0.347 22 Y C 0.914 176.785 175.900 -0.049 0.000 1.338 22 Y CA -0.245 57.824 58.100 -0.052 0.000 0.884 22 Y CB -0.110 38.304 38.460 -0.077 0.000 1.199 22 Y HN 0.417 nan 8.280 nan 0.000 0.852 23 T N 3.734 118.374 114.554 0.142 0.000 2.923 23 T HA 0.017 4.396 4.350 0.048 0.000 0.304 23 T C -1.685 173.048 174.700 0.054 0.000 1.044 23 T CA -0.879 61.267 62.100 0.075 0.000 1.141 23 T CB 0.129 69.039 68.868 0.069 0.000 1.023 23 T HN 0.378 nan 8.240 nan 0.000 0.533 24 P HA 0.161 nan 4.420 nan 0.000 0.258 24 P C -0.277 177.036 177.300 0.022 0.000 1.416 24 P CA -0.336 62.790 63.100 0.044 0.000 0.927 24 P CB 0.069 31.792 31.700 0.040 0.000 1.444 25 N N 1.974 120.668 118.700 -0.009 0.000 2.483 25 N HA 0.038 4.807 4.740 0.048 0.000 0.264 25 N C 0.240 175.713 175.510 -0.061 0.000 1.197 25 N CA 0.348 53.363 53.050 -0.058 0.000 0.927 25 N CB 0.655 39.087 38.487 -0.093 0.000 1.065 25 N HN 0.186 nan 8.380 nan 0.000 0.461 26 Q N 2.581 122.295 119.800 -0.143 0.000 2.274 26 Q HA 0.216 4.585 4.340 0.048 0.000 0.256 26 Q C 1.212 177.005 176.000 -0.345 0.000 0.927 26 Q CA -0.218 55.474 55.803 -0.184 0.000 0.939 26 Q CB 1.578 30.149 28.738 -0.278 0.000 1.201 26 Q HN 0.562 nan 8.270 nan 0.000 0.426 27 M N 1.612 121.126 119.600 -0.143 0.000 2.108 27 M HA -0.196 4.313 4.480 0.048 0.000 0.261 27 M C 1.636 177.826 176.300 -0.184 0.000 1.066 27 M CA 1.881 57.115 55.300 -0.109 0.000 1.107 27 M CB -0.510 32.099 32.600 0.016 0.000 1.356 27 M HN 0.665 nan 8.290 nan 0.000 0.406 28 F N 0.261 120.103 119.950 -0.180 0.000 2.202 28 F HA -0.017 4.539 4.527 0.048 0.000 0.301 28 F C 2.199 177.833 175.800 -0.276 0.000 1.082 28 F CA 1.027 58.889 58.000 -0.231 0.000 1.313 28 F CB -1.027 37.756 39.000 -0.363 0.000 1.024 28 F HN 0.007 nan 8.300 nan 0.000 0.495 29 A N 0.412 122.330 122.820 -1.503 0.000 1.903 29 A HA -0.074 4.275 4.320 0.048 0.000 0.213 29 A C 2.228 179.546 177.584 -0.444 0.000 1.185 29 A CA 1.065 52.407 52.037 -1.157 0.000 0.628 29 A CB -0.843 17.388 19.000 -1.282 0.000 0.830 29 A HN 0.536 nan 8.150 nan 0.000 0.446 30 Q N -0.007 119.618 119.800 -0.292 0.000 2.112 30 Q HA -0.157 4.212 4.340 0.048 0.000 0.206 30 Q C 2.284 178.322 176.000 0.062 0.000 0.987 30 Q CA 1.961 57.773 55.803 0.015 0.000 0.858 30 Q CB -0.232 28.505 28.738 -0.001 0.000 0.905 30 Q HN 0.605 nan 8.270 nan 0.000 0.420 31 S N 0.070 115.756 115.700 -0.024 0.000 2.453 31 S HA -0.039 4.460 4.470 0.048 0.000 0.231 31 S C 1.738 176.377 174.600 0.064 0.000 1.005 31 S CA 0.772 58.998 58.200 0.043 0.000 0.949 31 S CB -0.029 63.195 63.200 0.040 0.000 0.774 31 S HN 0.322 nan 8.310 nan 0.000 0.510 32 M N 0.137 119.735 119.600 -0.004 0.000 2.254 32 M HA -0.017 4.492 4.480 0.048 0.000 0.265 32 M C 1.690 178.071 176.300 0.136 0.000 1.066 32 M CA 1.100 56.469 55.300 0.115 0.000 1.123 32 M CB -0.109 32.371 32.600 -0.200 0.000 1.388 32 M HN 0.168 nan 8.290 nan 0.000 0.425 33 V N -2.026 117.862 119.914 -0.044 0.000 2.922 33 V HA 0.011 4.160 4.120 0.048 0.000 0.242 33 V C 0.152 176.078 176.094 -0.281 0.000 1.094 33 V CA 0.572 62.737 62.300 -0.225 0.000 1.106 33 V CB -0.048 31.458 31.823 -0.528 0.000 0.799 33 V HN 0.206 nan 8.190 nan 0.000 0.474 34 Y N 0.146 120.527 120.300 0.134 0.000 2.446 34 Y HA 0.641 5.220 4.550 0.048 0.000 0.338 34 Y C 0.214 176.221 175.900 0.178 0.000 1.055 34 Y CA -0.820 57.373 58.100 0.154 0.000 1.101 34 Y CB 1.419 39.922 38.460 0.071 0.000 1.221 34 Y HN 0.087 nan 8.280 nan 0.000 0.460 35 E N 3.587 124.041 120.200 0.423 0.000 2.312 35 E HA 0.432 4.811 4.350 0.048 0.000 0.267 35 E C -2.781 174.067 176.600 0.413 0.000 0.894 35 E CA -2.303 54.355 56.400 0.430 0.000 0.773 35 E CB 2.602 32.664 29.700 0.605 0.000 1.241 35 E HN 0.257 nan 8.360 nan 0.000 0.432 36 P HA 0.240 nan 4.420 nan 0.000 0.285 36 P C 0.471 178.023 177.300 0.418 0.000 1.285 36 P CA -0.516 62.774 63.100 0.316 0.000 0.854 36 P CB 1.359 33.131 31.700 0.119 0.000 1.180 37 L N -0.282 121.144 121.223 0.338 0.000 2.083 37 L HA -0.020 4.349 4.340 0.048 0.000 0.209 37 L C 1.164 178.155 176.870 0.201 0.000 1.083 37 L CA 1.480 56.425 54.840 0.175 0.000 0.752 37 L CB -0.474 41.511 42.059 -0.124 0.000 0.899 37 L HN 0.264 nan 8.230 nan 0.000 0.433 38 V N -3.358 116.630 119.914 0.123 0.000 2.925 38 V HA 0.484 4.633 4.120 0.048 0.000 0.311 38 V C -0.732 175.417 176.094 0.091 0.000 1.104 38 V CA -1.096 61.286 62.300 0.138 0.000 0.954 38 V CB 2.151 33.899 31.823 -0.125 0.000 1.022 38 V HN 0.042 nan 8.190 nan 0.000 0.427 39 K N 2.603 123.062 120.400 0.099 0.000 2.244 39 K HA 0.509 4.858 4.320 0.048 0.000 0.260 39 K C -1.457 175.147 176.600 0.007 0.000 0.951 39 K CA -0.799 55.421 56.287 -0.112 0.000 0.826 39 K CB 1.678 33.867 32.500 -0.517 0.000 1.108 39 K HN 0.864 nan 8.250 nan 0.000 0.433 40 Y N 3.322 123.555 120.300 -0.110 0.000 2.359 40 Y HA 0.107 4.686 4.550 0.048 0.000 0.330 40 Y C -0.505 175.373 175.900 -0.037 0.000 1.143 40 Y CA 0.321 58.391 58.100 -0.051 0.000 1.318 40 Y CB 0.860 39.287 38.460 -0.055 0.000 1.234 40 Y HN 0.510 nan 8.280 nan 0.000 0.522 41 Q N 4.065 123.414 119.800 -0.752 0.000 2.348 41 Q HA 0.470 4.839 4.340 0.048 0.000 0.271 41 Q C 0.760 176.294 176.000 -0.777 0.000 1.067 41 Q CA -0.102 55.378 55.803 -0.538 0.000 0.839 41 Q CB 1.936 30.523 28.738 -0.251 0.000 1.354 41 Q HN 0.907 nan 8.270 nan 0.000 0.447 42 A N 1.725 124.336 122.820 -0.347 0.000 2.042 42 A HA -0.233 4.116 4.320 0.048 0.000 0.222 42 A C 1.192 178.675 177.584 -0.169 0.000 1.167 42 A CA 2.339 54.261 52.037 -0.192 0.000 0.649 42 A CB -0.436 18.531 19.000 -0.054 0.000 0.809 42 A HN 0.786 nan 8.150 nan 0.000 0.457 43 D N -2.382 117.910 120.400 -0.180 0.000 2.349 43 D HA 0.251 4.920 4.640 0.048 0.000 0.224 43 D C 1.211 177.469 176.300 -0.070 0.000 1.029 43 D CA 1.103 55.047 54.000 -0.093 0.000 0.879 43 D CB -0.529 40.239 40.800 -0.053 0.000 0.906 43 D HN 0.849 nan 8.370 nan 0.000 0.528 44 G N 0.178 108.890 108.800 -0.147 0.000 2.213 44 G HA2 -0.286 3.703 3.960 0.048 0.000 0.236 44 G HA3 -0.286 3.703 3.960 0.048 0.000 0.236 44 G C 0.451 175.420 174.900 0.116 0.000 0.991 44 G CA 0.424 45.578 45.100 0.090 0.000 0.629 44 G HN 0.834 nan 8.290 nan 0.000 0.517 45 S N -0.275 115.421 115.700 -0.007 0.000 2.645 45 S HA 0.766 5.265 4.470 0.048 0.000 0.266 45 S C 0.470 175.115 174.600 0.075 0.000 1.258 45 S CA 0.115 58.362 58.200 0.079 0.000 0.990 45 S CB 2.016 65.262 63.200 0.077 0.000 0.967 45 S HN 1.848 nan 8.310 nan 0.000 0.556 46 V N -0.260 119.763 119.914 0.182 0.000 2.769 46 V HA 0.809 4.958 4.120 0.048 0.000 0.312 46 V C -0.162 176.107 176.094 0.290 0.000 1.058 46 V CA -1.184 61.233 62.300 0.195 0.000 0.952 46 V CB 0.719 32.638 31.823 0.161 0.000 1.019 46 V HN 1.052 nan 8.190 nan 0.000 0.445 47 I N -0.376 120.367 120.570 0.289 0.000 2.863 47 I HA 0.781 4.980 4.170 0.048 0.000 0.311 47 I C -2.700 173.751 176.117 0.555 0.000 1.026 47 I CA -2.911 58.623 61.300 0.389 0.000 1.077 47 I CB 1.799 39.977 38.000 0.296 0.000 1.262 47 I HN 0.349 nan 8.210 nan 0.000 0.461 48 P HA -0.010 nan 4.420 nan 0.000 0.266 48 P C -0.938 176.742 177.300 0.634 0.000 1.195 48 P CA 0.222 63.699 63.100 0.628 0.000 0.768 48 P CB 0.519 32.450 31.700 0.384 0.000 0.838 49 W N 2.955 124.414 121.300 0.264 0.000 4.481 49 W HA 0.163 4.852 4.660 0.049 0.000 0.481 49 W C 1.370 177.869 176.519 -0.033 0.000 3.467 49 W CA -0.061 57.415 57.345 0.219 0.000 1.143 49 W CB -0.361 29.247 29.460 0.246 0.000 2.117 49 W HN 0.013 nan 8.180 nan 0.000 0.350 50 L N 1.658 122.887 121.223 0.010 0.000 2.201 50 L HA 0.034 4.403 4.340 0.048 0.000 0.212 50 L C 1.079 177.912 176.870 -0.062 0.000 1.105 50 L CA 0.746 55.387 54.840 -0.331 0.000 0.775 50 L CB -0.864 40.934 42.059 -0.435 0.000 0.913 50 L HN 0.004 nan 8.230 nan 0.000 0.440 51 A N 0.622 123.532 122.820 0.150 0.000 2.260 51 A HA 0.251 4.600 4.320 0.048 0.000 0.308 51 A C 1.189 178.983 177.584 0.350 0.000 1.254 51 A CA -0.619 51.602 52.037 0.306 0.000 0.874 51 A CB 0.486 19.793 19.000 0.511 0.000 1.153 51 A HN 0.315 nan 8.150 nan 0.000 0.527 52 K N 1.340 121.876 120.400 0.226 0.000 2.305 52 K HA 0.071 4.420 4.320 0.048 0.000 0.199 52 K C 0.382 177.074 176.600 0.152 0.000 1.047 52 K CA 1.238 57.620 56.287 0.159 0.000 0.976 52 K CB -0.087 32.439 32.500 0.043 0.000 0.765 52 K HN 0.748 nan 8.250 nan 0.000 0.474 53 S N -0.758 115.076 115.700 0.225 0.000 2.615 53 S HA 0.620 5.119 4.470 0.048 0.000 0.269 53 S C -1.872 172.897 174.600 0.282 0.000 1.161 53 S CA -1.087 57.111 58.200 -0.005 0.000 0.817 53 S CB 0.671 63.800 63.200 -0.119 0.000 1.131 53 S HN 0.506 nan 8.310 nan 0.000 0.467 54 W N -0.327 121.004 121.300 0.052 0.000 3.146 54 W HA 0.771 5.459 4.660 0.048 0.000 0.319 54 W C -1.083 175.369 176.519 -0.112 0.000 1.258 54 W CA -0.356 56.928 57.345 -0.101 0.000 1.189 54 W CB 0.489 29.759 29.460 -0.318 0.000 1.412 54 W HN 1.103 nan 8.180 nan 0.000 0.567 55 T N -0.997 113.581 114.554 0.039 0.000 2.883 55 T HA 0.787 5.166 4.350 0.048 0.000 0.296 55 T C -1.285 173.266 174.700 -0.249 0.000 1.117 55 T CA -0.749 61.262 62.100 -0.148 0.000 1.006 55 T CB 2.063 70.823 68.868 -0.180 0.000 1.191 55 T HN 1.182 nan 8.240 nan 0.000 0.508 56 H N -1.305 117.489 119.070 -0.460 0.000 2.895 56 H HA 0.761 5.346 4.556 0.049 0.000 0.373 56 H C 0.052 175.117 175.328 -0.437 0.000 1.174 56 H CA -0.626 54.974 56.048 -0.747 0.000 1.144 56 H CB 0.840 29.575 29.762 -1.712 0.000 1.793 56 H HN 0.836 nan 8.280 nan 0.000 0.551 57 S N 0.206 115.794 115.700 -0.186 0.000 2.587 57 S HA -0.075 4.424 4.470 0.048 0.000 0.260 57 S C 1.115 175.717 174.600 0.003 0.000 1.353 57 S CA 0.128 58.273 58.200 -0.092 0.000 0.995 57 S CB 0.838 63.999 63.200 -0.064 0.000 0.912 57 S HN 0.939 nan 8.310 nan 0.000 0.568 58 E N 0.582 120.771 120.200 -0.018 0.000 2.150 58 E HA -0.196 4.183 4.350 0.048 0.000 0.193 58 E C 1.089 177.707 176.600 0.029 0.000 0.985 58 E CA 1.390 57.796 56.400 0.010 0.000 0.814 58 E CB -0.229 29.460 29.700 -0.019 0.000 0.752 58 E HN 0.882 nan 8.360 nan 0.000 0.466 59 D N -1.024 119.387 120.400 0.018 0.000 2.363 59 D HA 0.001 4.670 4.640 0.048 0.000 0.226 59 D C 1.259 177.587 176.300 0.046 0.000 1.020 59 D CA 0.842 54.862 54.000 0.035 0.000 0.892 59 D CB -0.078 40.739 40.800 0.029 0.000 0.900 59 D HN 0.291 nan 8.370 nan 0.000 0.531 60 G N 0.667 109.469 108.800 0.004 0.000 2.155 60 G HA2 -0.382 3.607 3.960 0.048 0.000 0.257 60 G HA3 -0.382 3.607 3.960 0.048 0.000 0.257 60 G C 1.033 175.967 174.900 0.057 0.000 0.983 60 G CA 0.668 45.727 45.100 -0.069 0.000 0.676 60 G HN 0.485 nan 8.290 nan 0.000 0.528 61 K N -0.708 119.718 120.400 0.042 0.000 2.348 61 K HA 0.119 4.468 4.320 0.048 0.000 0.194 61 K C 0.442 177.106 176.600 0.106 0.000 1.052 61 K CA 0.734 57.070 56.287 0.081 0.000 1.004 61 K CB 0.557 33.082 32.500 0.040 0.000 0.873 61 K HN 0.311 nan 8.250 nan 0.000 0.523 62 T N 1.019 115.599 114.554 0.042 0.000 2.770 62 T HA 0.321 4.700 4.350 0.048 0.000 0.283 62 T C -1.311 173.394 174.700 0.007 0.000 0.988 62 T CA -0.503 61.632 62.100 0.058 0.000 0.957 62 T CB 0.716 69.588 68.868 0.008 0.000 0.930 62 T HN 0.049 nan 8.240 nan 0.000 0.443 63 W N 1.790 123.064 121.300 -0.044 0.000 2.702 63 W HA 0.535 5.224 4.660 0.048 0.000 0.331 63 W C -0.179 176.332 176.519 -0.013 0.000 1.049 63 W CA -0.596 56.739 57.345 -0.016 0.000 1.230 63 W CB 1.642 31.121 29.460 0.031 0.000 1.408 63 W HN 0.393 nan 8.180 nan 0.000 0.492 64 T N 3.729 118.335 114.554 0.086 0.000 2.840 64 T HA 0.511 4.890 4.350 0.048 0.000 0.287 64 T C -1.082 173.633 174.700 0.024 0.000 0.991 64 T CA -0.543 61.616 62.100 0.099 0.000 0.964 64 T CB 0.404 69.308 68.868 0.059 0.000 0.954 64 T HN -0.016 nan 8.240 nan 0.000 0.438 65 F N 1.595 121.710 119.950 0.276 0.000 2.421 65 F HA 0.438 4.993 4.527 0.048 0.000 0.337 65 F C 1.099 177.014 175.800 0.192 0.000 1.105 65 F CA -0.788 57.395 58.000 0.305 0.000 1.049 65 F CB 1.511 40.674 39.000 0.272 0.000 1.139 65 F HN 0.320 nan 8.300 nan 0.000 0.479 66 T N 5.262 120.021 114.554 0.341 0.000 2.733 66 T HA 0.467 4.845 4.350 0.048 0.000 0.294 66 T C 0.015 174.836 174.700 0.202 0.000 0.956 66 T CA -0.519 61.700 62.100 0.197 0.000 0.987 66 T CB 0.143 69.079 68.868 0.113 0.000 0.920 66 T HN 0.275 nan 8.240 nan 0.000 0.470 67 L N 3.219 124.520 121.223 0.130 0.000 2.399 67 L HA 0.480 4.849 4.340 0.048 0.000 0.266 67 L C 1.178 178.056 176.870 0.014 0.000 1.114 67 L CA -1.127 53.768 54.840 0.091 0.000 0.804 67 L CB 0.619 42.699 42.059 0.035 0.000 1.146 67 L HN 0.443 nan 8.230 nan 0.000 0.451 68 R N 1.313 121.785 120.500 -0.047 0.000 2.697 68 R HA -0.061 4.308 4.340 0.048 0.000 0.265 68 R C 0.112 176.354 176.300 -0.097 0.000 1.009 68 R CA 0.175 56.191 56.100 -0.140 0.000 1.099 68 R CB 0.271 30.350 30.300 -0.368 0.000 0.965 68 R HN 0.687 nan 8.270 nan 0.000 0.428 69 D N 0.270 120.613 120.400 -0.095 0.000 2.431 69 D HA -0.054 4.615 4.640 0.048 0.000 0.213 69 D C 0.096 176.354 176.300 -0.070 0.000 1.130 69 D CA -0.033 53.925 54.000 -0.071 0.000 0.834 69 D CB 0.245 41.014 40.800 -0.051 0.000 0.985 69 D HN 0.564 nan 8.370 nan 0.000 0.504 70 D N 0.030 120.368 120.400 -0.103 0.000 2.501 70 D HA 0.074 4.743 4.640 0.048 0.000 0.224 70 D C -0.168 176.078 176.300 -0.090 0.000 1.202 70 D CA -0.457 53.496 54.000 -0.078 0.000 0.829 70 D CB 0.161 40.924 40.800 -0.062 0.000 1.023 70 D HN -0.034 nan 8.370 nan 0.000 0.499 71 V N 0.775 120.608 119.914 -0.136 0.000 2.394 71 V HA 0.331 4.480 4.120 0.048 0.000 0.282 71 V C 0.230 176.282 176.094 -0.070 0.000 1.031 71 V CA -0.626 61.564 62.300 -0.182 0.000 0.881 71 V CB 1.711 33.254 31.823 -0.468 0.000 0.982 71 V HN -0.025 nan 8.190 nan 0.000 0.451 72 K N 3.749 124.134 120.400 -0.024 0.000 2.259 72 K HA 0.585 4.934 4.320 0.048 0.000 0.249 72 K C -0.736 175.869 176.600 0.009 0.000 0.942 72 K CA -0.630 55.673 56.287 0.028 0.000 0.816 72 K CB 2.056 34.609 32.500 0.088 0.000 1.155 72 K HN 0.380 nan 8.250 nan 0.000 0.428 73 F N 0.774 120.822 119.950 0.164 0.000 2.535 73 F HA -0.145 4.411 4.527 0.048 0.000 0.332 73 F C 2.142 178.019 175.800 0.129 0.000 1.208 73 F CA 0.474 58.573 58.000 0.164 0.000 1.330 73 F CB 0.525 39.623 39.000 0.163 0.000 1.167 73 F HN 0.663 nan 8.300 nan 0.000 0.597 74 S N 0.301 116.197 115.700 0.326 0.000 2.442 74 S HA -0.222 4.277 4.470 0.048 0.000 0.236 74 S C 1.279 175.974 174.600 0.159 0.000 1.007 74 S CA 1.121 59.439 58.200 0.197 0.000 0.965 74 S CB -0.679 62.612 63.200 0.152 0.000 0.773 74 S HN 0.769 nan 8.310 nan 0.000 0.504 75 N N 1.181 119.989 118.700 0.180 0.000 2.383 75 N HA 0.226 4.995 4.740 0.048 0.000 0.192 75 N C 1.235 176.817 175.510 0.120 0.000 1.141 75 N CA 0.682 53.804 53.050 0.120 0.000 0.851 75 N CB -0.437 38.101 38.487 0.086 0.000 0.976 75 N HN 0.614 nan 8.380 nan 0.000 0.465 76 G N -0.465 108.428 108.800 0.154 0.000 2.195 76 G HA2 -0.290 3.699 3.960 0.048 0.000 0.246 76 G HA3 -0.290 3.699 3.960 0.048 0.000 0.246 76 G C -0.312 174.676 174.900 0.147 0.000 0.984 76 G CA 0.129 45.305 45.100 0.127 0.000 0.633 76 G HN 0.508 nan 8.290 nan 0.000 0.525 77 E N 2.249 122.569 120.200 0.200 0.000 2.383 77 E HA 0.377 4.756 4.350 0.048 0.000 0.264 77 E C -2.104 174.696 176.600 0.332 0.000 1.050 77 E CA -1.393 55.138 56.400 0.219 0.000 0.896 77 E CB 0.993 30.792 29.700 0.165 0.000 0.982 77 E HN 0.248 nan 8.360 nan 0.000 0.424 78 P HA -0.011 nan 4.420 nan 0.000 0.275 78 P C -0.979 176.484 177.300 0.273 0.000 1.227 78 P CA -0.077 63.134 63.100 0.184 0.000 0.781 78 P CB 0.366 32.114 31.700 0.081 0.000 0.906 79 F N 4.349 124.231 119.950 -0.113 0.000 2.424 79 F HA 0.335 4.891 4.527 0.048 0.000 0.356 79 F C -0.096 175.624 175.800 -0.132 0.000 1.110 79 F CA 0.331 58.187 58.000 -0.241 0.000 1.161 79 F CB 0.358 38.992 39.000 -0.611 0.000 1.115 79 F HN 0.324 nan 8.300 nan 0.000 0.507 80 D N 3.647 123.570 120.400 -0.794 0.000 2.752 80 D HA 0.407 5.076 4.640 0.048 0.000 0.313 80 D C 0.210 176.097 176.300 -0.688 0.000 1.225 80 D CA -0.248 53.375 54.000 -0.628 0.000 0.976 80 D CB 0.777 41.425 40.800 -0.253 0.000 1.443 80 D HN 0.469 nan 8.370 nan 0.000 0.515 81 A N -0.486 122.109 122.820 -0.374 0.000 1.972 81 A HA -0.166 4.183 4.320 0.048 0.000 0.219 81 A C 1.859 179.359 177.584 -0.140 0.000 1.169 81 A CA 2.083 53.977 52.037 -0.238 0.000 0.635 81 A CB -0.946 17.994 19.000 -0.101 0.000 0.810 81 A HN 0.701 nan 8.150 nan 0.000 0.446 82 E N -0.041 120.090 120.200 -0.114 0.000 2.047 82 E HA -0.087 4.292 4.350 0.048 0.000 0.191 82 E C 2.110 178.707 176.600 -0.004 0.000 0.987 82 E CA 1.007 57.386 56.400 -0.034 0.000 0.799 82 E CB -0.274 29.410 29.700 -0.027 0.000 0.752 82 E HN 0.516 nan 8.360 nan 0.000 0.449 83 A N 1.171 123.959 122.820 -0.053 0.000 1.933 83 A HA -0.095 4.254 4.320 0.048 0.000 0.218 83 A C 2.386 180.076 177.584 0.176 0.000 1.175 83 A CA 1.784 53.859 52.037 0.063 0.000 0.628 83 A CB -0.778 18.332 19.000 0.184 0.000 0.814 83 A HN 0.427 nan 8.150 nan 0.000 0.444 84 A N -0.065 122.738 122.820 -0.028 0.000 1.877 84 A HA 0.168 4.517 4.320 0.048 0.000 0.216 84 A C 2.530 180.414 177.584 0.499 0.000 1.186 84 A CA 2.098 54.214 52.037 0.132 0.000 0.620 84 A CB -1.106 17.771 19.000 -0.205 0.000 0.822 84 A HN 1.084 nan 8.150 nan 0.000 0.443 85 A N -0.457 122.544 122.820 0.303 0.000 1.908 85 A HA -0.180 4.169 4.320 0.048 0.000 0.218 85 A C 1.939 179.742 177.584 0.365 0.000 1.181 85 A CA 1.818 54.050 52.037 0.324 0.000 0.627 85 A CB -0.450 18.644 19.000 0.156 0.000 0.818 85 A HN 0.465 nan 8.150 nan 0.000 0.445 86 E N 0.202 120.593 120.200 0.318 0.000 2.110 86 E HA -0.171 4.208 4.350 0.048 0.000 0.193 86 E C 1.778 178.703 176.600 0.542 0.000 0.988 86 E CA 1.409 58.031 56.400 0.371 0.000 0.804 86 E CB -0.537 29.303 29.700 0.233 0.000 0.745 86 E HN 0.726 nan 8.360 nan 0.000 0.458 87 N N -0.010 119.036 118.700 0.576 0.000 2.120 87 N HA -0.118 4.651 4.740 0.048 0.000 0.188 87 N C 1.644 177.212 175.510 0.097 0.000 1.024 87 N CA 1.032 54.361 53.050 0.466 0.000 0.852 87 N CB -0.315 38.515 38.487 0.572 0.000 1.003 87 N HN 0.068 nan 8.380 nan 0.000 0.424 88 F N 0.882 120.969 119.950 0.229 0.000 2.134 88 F HA -0.044 4.511 4.527 0.048 0.000 0.299 88 F C 2.499 178.345 175.800 0.076 0.000 1.097 88 F CA 0.943 59.026 58.000 0.139 0.000 1.264 88 F CB -0.208 38.883 39.000 0.153 0.000 1.001 88 F HN -0.014 nan 8.300 nan 0.000 0.479 89 R N 0.627 121.302 120.500 0.292 0.000 2.083 89 R HA -0.198 4.171 4.340 0.048 0.000 0.237 89 R C 2.356 178.707 176.300 0.085 0.000 1.137 89 R CA 1.500 57.710 56.100 0.183 0.000 0.951 89 R CB -0.579 29.838 30.300 0.196 0.000 0.851 89 R HN 0.261 nan 8.270 nan 0.000 0.434 90 A N 0.271 123.110 122.820 0.031 0.000 1.908 90 A HA -0.117 4.231 4.320 0.048 0.000 0.218 90 A C 2.293 179.763 177.584 -0.190 0.000 1.181 90 A CA 1.709 53.658 52.037 -0.147 0.000 0.627 90 A CB -0.572 18.177 19.000 -0.419 0.000 0.818 90 A HN 0.251 nan 8.150 nan 0.000 0.445 91 V N -0.024 119.689 119.914 -0.335 0.000 2.295 91 V HA -0.233 3.916 4.120 0.048 0.000 0.246 91 V C 2.439 178.495 176.094 -0.064 0.000 1.049 91 V CA 2.003 64.078 62.300 -0.375 0.000 1.024 91 V CB -0.698 30.727 31.823 -0.664 0.000 0.648 91 V HN 0.574 nan 8.190 nan 0.000 0.447 92 L N -0.282 120.955 121.223 0.024 0.000 2.478 92 L HA -0.043 4.326 4.340 0.048 0.000 0.223 92 L C 1.897 178.816 176.870 0.082 0.000 1.140 92 L CA 0.617 55.518 54.840 0.101 0.000 0.842 92 L CB -0.577 41.565 42.059 0.138 0.000 0.953 92 L HN 0.304 nan 8.230 nan 0.000 0.452 93 D N 0.043 120.474 120.400 0.053 0.000 2.350 93 D HA -0.134 4.535 4.640 0.048 0.000 0.216 93 D C 1.125 177.447 176.300 0.037 0.000 0.968 93 D CA 0.945 54.969 54.000 0.040 0.000 0.894 93 D CB -0.095 40.720 40.800 0.024 0.000 0.909 93 D HN 0.158 nan 8.370 nan 0.000 0.520 94 N N 0.170 118.907 118.700 0.062 0.000 2.467 94 N HA 0.069 4.838 4.740 0.048 0.000 0.278 94 N C 1.099 176.646 175.510 0.062 0.000 1.306 94 N CA -0.193 52.883 53.050 0.043 0.000 0.905 94 N CB 0.117 38.624 38.487 0.033 0.000 1.236 94 N HN -0.074 nan 8.380 nan 0.000 0.509 95 R N -0.227 120.331 120.500 0.098 0.000 2.103 95 R HA -0.199 4.170 4.340 0.048 0.000 0.242 95 R C 1.478 177.812 176.300 0.057 0.000 1.142 95 R CA 1.620 57.796 56.100 0.126 0.000 0.960 95 R CB 0.157 30.504 30.300 0.080 0.000 0.858 95 R HN 0.189 nan 8.270 nan 0.000 0.439 96 Q N 0.532 120.334 119.800 0.003 0.000 2.170 96 Q HA -0.175 4.194 4.340 0.048 0.000 0.203 96 Q C 1.814 177.783 176.000 -0.053 0.000 0.976 96 Q CA 1.638 57.430 55.803 -0.018 0.000 0.858 96 Q CB -0.244 28.480 28.738 -0.022 0.000 0.907 96 Q HN 0.083 nan 8.270 nan 0.000 0.433 97 R N -0.493 119.921 120.500 -0.143 0.000 2.193 97 R HA -0.087 4.282 4.340 0.048 0.000 0.229 97 R C 0.838 176.999 176.300 -0.231 0.000 1.110 97 R CA 1.377 57.342 56.100 -0.226 0.000 0.988 97 R CB -0.278 29.837 30.300 -0.309 0.000 0.871 97 R HN 0.415 nan 8.270 nan 0.000 0.458 98 H N -1.271 117.852 119.070 0.088 0.000 2.520 98 H HA 0.348 4.932 4.556 0.048 0.000 0.284 98 H C 1.256 176.454 175.328 -0.217 0.000 1.037 98 H CA 0.492 56.519 56.048 -0.034 0.000 1.168 98 H CB 0.421 30.110 29.762 -0.123 0.000 1.497 98 H HN 0.247 nan 8.280 nan 0.000 0.547 99 A N 2.192 125.028 122.820 0.027 0.000 1.978 99 A HA -0.172 4.177 4.320 0.048 0.000 0.220 99 A C 2.203 179.808 177.584 0.035 0.000 1.170 99 A CA 1.272 53.322 52.037 0.021 0.000 0.636 99 A CB -1.063 17.970 19.000 0.055 0.000 0.810 99 A HN 0.725 nan 8.150 nan 0.000 0.448 100 W N -1.028 120.318 121.300 0.076 0.000 2.341 100 W HA 0.013 4.701 4.660 0.047 0.000 0.283 100 W C 0.247 176.850 176.519 0.139 0.000 1.215 100 W CA 0.565 57.963 57.345 0.088 0.000 1.211 100 W CB -0.816 28.646 29.460 0.003 0.000 1.131 100 W HN 0.274 nan 8.180 nan 0.000 0.552 101 L N 2.663 123.360 121.223 -0.877 0.000 2.277 101 L HA 0.202 4.571 4.340 0.048 0.000 0.284 101 L C 1.370 178.045 176.870 -0.326 0.000 1.028 101 L CA -0.181 54.157 54.840 -0.836 0.000 0.835 101 L CB 1.227 42.407 42.059 -1.464 0.000 1.215 101 L HN -0.156 nan 8.230 nan 0.000 0.425 102 E N 3.388 123.512 120.200 -0.127 0.000 2.209 102 E HA -0.232 4.147 4.350 0.048 0.000 0.196 102 E C 1.624 177.958 176.600 -0.442 0.000 0.993 102 E CA 1.445 57.729 56.400 -0.193 0.000 0.819 102 E CB -0.132 29.539 29.700 -0.048 0.000 0.745 102 E HN 0.686 nan 8.360 nan 0.000 0.477 103 L N 0.220 121.196 121.223 -0.412 0.000 2.081 103 L HA -0.118 4.251 4.340 0.048 0.000 0.212 103 L C 2.108 178.900 176.870 -0.130 0.000 1.080 103 L CA 2.209 56.838 54.840 -0.353 0.000 0.754 103 L CB -0.960 41.070 42.059 -0.049 0.000 0.893 103 L HN 0.190 nan 8.230 nan 0.000 0.433 104 A N -0.827 121.997 122.820 0.006 0.000 2.070 104 A HA -0.154 4.195 4.320 0.048 0.000 0.220 104 A C 1.898 179.484 177.584 0.004 0.000 1.159 104 A CA 1.624 53.721 52.037 0.100 0.000 0.656 104 A CB -0.621 18.414 19.000 0.059 0.000 0.800 104 A HN 0.637 nan 8.150 nan 0.000 0.453 105 N N -0.689 117.961 118.700 -0.084 0.000 2.422 105 N HA -0.019 4.750 4.740 0.048 0.000 0.181 105 N C 1.341 176.787 175.510 -0.106 0.000 1.080 105 N CA 0.481 53.484 53.050 -0.078 0.000 0.893 105 N CB 0.080 38.521 38.487 -0.077 0.000 0.973 105 N HN 0.489 nan 8.380 nan 0.000 0.456 106 Q N 0.329 120.024 119.800 -0.176 0.000 2.349 106 Q HA 0.239 4.608 4.340 0.048 0.000 0.209 106 Q C 0.619 176.536 176.000 -0.139 0.000 0.920 106 Q CA 0.050 55.736 55.803 -0.195 0.000 0.901 106 Q CB 0.878 29.394 28.738 -0.370 0.000 1.021 106 Q HN 0.340 nan 8.270 nan 0.000 0.519 107 I N 1.901 122.401 120.570 -0.117 0.000 2.505 107 I HA -0.073 4.126 4.170 0.048 0.000 0.287 107 I C 1.273 177.360 176.117 -0.050 0.000 1.104 107 I CA -0.160 61.082 61.300 -0.097 0.000 1.387 107 I CB 0.922 38.875 38.000 -0.078 0.000 1.404 107 I HN -0.149 nan 8.210 nan 0.000 0.528 108 V N 4.479 124.362 119.914 -0.052 0.000 2.685 108 V HA 0.022 4.171 4.120 0.048 0.000 0.244 108 V C 0.315 176.401 176.094 -0.013 0.000 1.054 108 V CA 1.093 63.379 62.300 -0.025 0.000 1.076 108 V CB -0.305 31.505 31.823 -0.022 0.000 0.725 108 V HN 0.884 nan 8.190 nan 0.000 0.467 109 D N -1.304 119.080 120.400 -0.027 0.000 2.663 109 D HA 0.474 5.143 4.640 0.048 0.000 0.233 109 D C -1.478 174.796 176.300 -0.043 0.000 1.240 109 D CA -0.218 53.773 54.000 -0.014 0.000 0.774 109 D CB 2.398 43.196 40.800 -0.003 0.000 1.443 109 D HN -0.021 nan 8.370 nan 0.000 0.441 110 V N 0.362 120.259 119.914 -0.028 0.000 2.569 110 V HA 0.678 4.827 4.120 0.048 0.000 0.301 110 V C -0.710 175.388 176.094 0.006 0.000 1.044 110 V CA -0.816 61.446 62.300 -0.064 0.000 0.874 110 V CB 1.524 33.256 31.823 -0.151 0.000 1.002 110 V HN 0.470 nan 8.190 nan 0.000 0.424 111 K N 2.719 123.125 120.400 0.010 0.000 2.427 111 K HA 0.819 5.168 4.320 0.048 0.000 0.252 111 K C -0.474 176.147 176.600 0.034 0.000 0.931 111 K CA -0.671 55.633 56.287 0.030 0.000 0.793 111 K CB 2.870 35.386 32.500 0.026 0.000 1.211 111 K HN 0.951 nan 8.250 nan 0.000 0.426 112 A N 4.241 127.080 122.820 0.032 0.000 2.376 112 A HA 0.216 4.565 4.320 0.048 0.000 0.298 112 A C 0.933 178.527 177.584 0.016 0.000 1.271 112 A CA -0.351 51.697 52.037 0.018 0.000 0.926 112 A CB -0.286 18.716 19.000 0.003 0.000 1.141 112 A HN 0.819 nan 8.150 nan 0.000 0.539 113 L N 2.058 123.294 121.223 0.021 0.000 2.240 113 L HA 0.042 4.411 4.340 0.048 0.000 0.211 113 L C 1.296 178.171 176.870 0.007 0.000 1.106 113 L CA 1.187 56.037 54.840 0.017 0.000 0.793 113 L CB -0.424 41.650 42.059 0.025 0.000 0.927 113 L HN 0.879 nan 8.230 nan 0.000 0.446 114 S N -2.581 113.120 115.700 0.002 0.000 2.757 114 S HA 0.260 4.759 4.470 0.048 0.000 0.285 114 S C 0.256 174.841 174.600 -0.025 0.000 1.196 114 S CA -0.886 57.308 58.200 -0.009 0.000 0.856 114 S CB 1.521 64.717 63.200 -0.006 0.000 1.212 114 S HN -0.108 nan 8.310 nan 0.000 0.516 115 K N 0.521 120.900 120.400 -0.035 0.000 2.209 115 K HA -0.040 4.309 4.320 0.048 0.000 0.204 115 K C 1.508 178.060 176.600 -0.080 0.000 1.048 115 K CA 1.869 58.119 56.287 -0.062 0.000 0.940 115 K CB -0.442 32.026 32.500 -0.053 0.000 0.729 115 K HN 0.815 nan 8.250 nan 0.000 0.451 116 T N -2.292 112.235 114.554 -0.044 0.000 3.010 116 T HA 0.142 4.521 4.350 0.048 0.000 0.257 116 T C 0.248 174.957 174.700 0.015 0.000 1.020 116 T CA -0.370 61.713 62.100 -0.029 0.000 0.938 116 T CB 0.445 69.304 68.868 -0.015 0.000 1.049 116 T HN -0.148 nan 8.240 nan 0.000 0.522 117 E N 1.486 121.699 120.200 0.021 0.000 2.129 117 E HA 0.525 4.904 4.350 0.048 0.000 0.268 117 E C -1.549 175.096 176.600 0.075 0.000 0.900 117 E CA -0.627 55.811 56.400 0.063 0.000 0.755 117 E CB 2.382 32.109 29.700 0.046 0.000 1.117 117 E HN 0.247 nan 8.360 nan 0.000 0.410 118 L N 2.936 124.246 121.223 0.145 0.000 2.325 118 L HA 0.313 4.682 4.340 0.048 0.000 0.281 118 L C -0.688 176.319 176.870 0.229 0.000 1.004 118 L CA -0.320 54.610 54.840 0.151 0.000 0.823 118 L CB 1.688 43.832 42.059 0.142 0.000 1.236 118 L HN 0.396 nan 8.230 nan 0.000 0.415 119 Q N 4.926 124.811 119.800 0.142 0.000 2.322 119 Q HA 0.643 5.012 4.340 0.048 0.000 0.265 119 Q C -1.543 174.514 176.000 0.095 0.000 0.985 119 Q CA -0.470 55.420 55.803 0.145 0.000 0.849 119 Q CB 1.463 30.252 28.738 0.084 0.000 1.274 119 Q HN 0.734 nan 8.270 nan 0.000 0.449 120 I N 3.252 123.911 120.570 0.149 0.000 2.418 120 I HA 0.340 4.539 4.170 0.048 0.000 0.287 120 I C -0.621 175.511 176.117 0.024 0.000 1.008 120 I CA -0.703 60.613 61.300 0.026 0.000 1.104 120 I CB 2.178 40.197 38.000 0.033 0.000 1.264 120 I HN 0.536 nan 8.210 nan 0.000 0.438 121 T N 7.027 121.561 114.554 -0.033 0.000 2.794 121 T HA 0.629 5.008 4.350 0.048 0.000 0.280 121 T C -0.108 174.545 174.700 -0.079 0.000 0.987 121 T CA -0.473 61.612 62.100 -0.025 0.000 0.993 121 T CB 1.346 70.209 68.868 -0.008 0.000 0.939 121 T HN 0.275 nan 8.240 nan 0.000 0.449 122 L N 2.398 123.573 121.223 -0.079 0.000 2.334 122 L HA 0.523 4.892 4.340 0.048 0.000 0.270 122 L C 1.697 178.539 176.870 -0.047 0.000 1.018 122 L CA -1.011 53.765 54.840 -0.106 0.000 0.811 122 L CB 1.372 43.337 42.059 -0.157 0.000 1.271 122 L HN 0.594 nan 8.230 nan 0.000 0.443 123 K N 0.471 120.840 120.400 -0.051 0.000 2.057 123 K HA -0.094 4.255 4.320 0.048 0.000 0.207 123 K C 0.524 177.123 176.600 -0.002 0.000 1.049 123 K CA 1.377 57.649 56.287 -0.025 0.000 0.931 123 K CB 0.223 32.701 32.500 -0.037 0.000 0.714 123 K HN 0.768 nan 8.250 nan 0.000 0.440 124 S N -2.180 113.525 115.700 0.009 0.000 2.651 124 S HA 0.586 5.085 4.470 0.048 0.000 0.279 124 S C -0.974 173.671 174.600 0.076 0.000 1.148 124 S CA -0.839 57.386 58.200 0.042 0.000 0.837 124 S CB 1.819 65.048 63.200 0.048 0.000 1.138 124 S HN 0.093 nan 8.310 nan 0.000 0.478 125 A N 1.463 124.336 122.820 0.088 0.000 2.906 125 A HA 0.360 4.709 4.320 0.048 0.000 0.289 125 A C -0.539 177.132 177.584 0.145 0.000 1.675 125 A CA -0.205 51.906 52.037 0.122 0.000 1.372 125 A CB -1.429 17.646 19.000 0.126 0.000 1.091 125 A HN 0.786 nan 8.150 nan 0.000 0.579 126 Y N 3.466 123.773 120.300 0.011 0.000 2.584 126 Y HA 0.231 4.810 4.550 0.048 0.000 0.351 126 Y C 1.026 176.952 175.900 0.043 0.000 1.030 126 Y CA -0.584 57.511 58.100 -0.008 0.000 1.332 126 Y CB 0.061 38.477 38.460 -0.074 0.000 1.148 126 Y HN 0.722 nan 8.280 nan 0.000 0.528 127 Y N 6.673 126.746 120.300 -0.378 0.000 2.181 127 Y HA 0.081 4.659 4.550 0.048 0.000 0.288 127 Y C -1.245 174.468 175.900 -0.313 0.000 1.146 127 Y CA 0.367 58.322 58.100 -0.241 0.000 1.164 127 Y CB -1.765 36.592 38.460 -0.172 0.000 0.982 127 Y HN 0.412 nan 8.280 nan 0.000 0.515 128 P HA 0.026 nan 4.420 nan 0.000 0.258 128 P C 1.142 178.211 177.300 -0.385 0.000 1.403 128 P CA 0.214 62.690 63.100 -1.040 0.000 0.826 128 P CB -0.923 29.828 31.700 -1.582 0.000 1.414 129 F N 1.183 120.917 119.950 -0.359 0.000 2.027 129 F HA -0.297 4.259 4.527 0.048 0.000 0.297 129 F C 1.819 177.433 175.800 -0.310 0.000 1.129 129 F CA 1.629 59.471 58.000 -0.263 0.000 1.195 129 F CB -0.397 38.266 39.000 -0.563 0.000 0.960 129 F HN -0.201 nan 8.300 nan 0.000 0.485 130 L N -0.083 120.815 121.223 -0.541 0.000 2.046 130 L HA -0.245 4.124 4.340 0.048 0.000 0.208 130 L C 2.574 179.248 176.870 -0.327 0.000 1.077 130 L CA 1.336 55.828 54.840 -0.580 0.000 0.747 130 L CB -0.964 40.886 42.059 -0.348 0.000 0.896 130 L HN 0.316 nan 8.230 nan 0.000 0.432 131 Q N 0.001 119.686 119.800 -0.193 0.000 2.135 131 Q HA -0.233 4.136 4.340 0.048 0.000 0.204 131 Q C 2.036 177.961 176.000 -0.125 0.000 0.981 131 Q CA 1.572 57.303 55.803 -0.120 0.000 0.856 131 Q CB -0.077 28.589 28.738 -0.120 0.000 0.902 131 Q HN 0.608 nan 8.270 nan 0.000 0.425 132 E N 0.371 120.511 120.200 -0.100 0.000 2.158 132 E HA -0.076 4.302 4.350 0.048 0.000 0.191 132 E C 2.068 178.660 176.600 -0.012 0.000 0.982 132 E CA 0.330 56.734 56.400 0.007 0.000 0.823 132 E CB 0.036 29.821 29.700 0.142 0.000 0.766 132 E HN 0.318 nan 8.360 nan 0.000 0.468 133 L N 0.634 121.735 121.223 -0.203 0.000 2.191 133 L HA -0.147 4.222 4.340 0.048 0.000 0.212 133 L C 2.413 179.232 176.870 -0.084 0.000 1.103 133 L CA 0.839 55.560 54.840 -0.199 0.000 0.769 133 L CB -0.335 41.444 42.059 -0.468 0.000 0.908 133 L HN 0.128 nan 8.230 nan 0.000 0.438 134 A N -0.427 122.335 122.820 -0.097 0.000 2.167 134 A HA 0.113 4.462 4.320 0.048 0.000 0.214 134 A C 1.199 178.753 177.584 -0.051 0.000 1.151 134 A CA 0.046 52.052 52.037 -0.052 0.000 0.735 134 A CB -0.299 18.692 19.000 -0.014 0.000 0.802 134 A HN 0.226 nan 8.150 nan 0.000 0.467 135 L N -0.548 120.640 121.223 -0.058 0.000 2.483 135 L HA 0.072 4.441 4.340 0.048 0.000 0.275 135 L C -1.321 175.555 176.870 0.010 0.000 1.220 135 L CA -1.394 53.415 54.840 -0.052 0.000 0.833 135 L CB 0.188 42.246 42.059 -0.001 0.000 1.102 135 L HN 0.048 nan 8.230 nan 0.000 0.490 136 P HA -0.138 nan 4.420 nan 0.000 0.217 136 P C -0.661 176.637 177.300 -0.003 0.000 1.148 136 P CA 1.431 64.557 63.100 0.044 0.000 0.828 136 P CB 0.174 31.919 31.700 0.075 0.000 0.783 137 R N -3.183 117.319 120.500 0.003 0.000 2.663 137 R HA 0.358 4.727 4.340 0.048 0.000 0.267 137 R C -2.882 173.366 176.300 -0.087 0.000 1.038 137 R CA -1.549 54.482 56.100 -0.115 0.000 0.886 137 R CB 0.195 30.384 30.300 -0.186 0.000 1.249 137 R HN -0.245 nan 8.270 nan 0.000 0.463 138 P HA 0.189 nan 4.420 nan 0.000 0.267 138 P C -0.322 176.535 177.300 -0.738 0.000 1.289 138 P CA 0.085 62.803 63.100 -0.636 0.000 0.866 138 P CB 0.231 31.345 31.700 -0.976 0.000 1.309 139 F N 1.148 120.849 119.950 -0.416 0.000 2.954 139 F HA 0.281 4.836 4.527 0.048 0.000 0.300 139 F C 1.292 176.587 175.800 -0.843 0.000 1.206 139 F CA -0.431 57.163 58.000 -0.676 0.000 1.345 139 F CB 0.029 38.727 39.000 -0.503 0.000 1.206 139 F HN -0.304 nan 8.300 nan 0.000 0.537 140 R N -0.330 119.790 120.500 -0.633 0.000 2.923 140 R HA 0.627 4.996 4.340 0.048 0.000 0.252 140 R C -1.382 174.501 176.300 -0.696 0.000 1.130 140 R CA -1.019 54.681 56.100 -0.667 0.000 1.043 140 R CB 1.690 31.903 30.300 -0.145 0.000 1.205 140 R HN 0.001 nan 8.270 nan 0.000 0.495 141 F N 1.144 121.226 119.950 0.220 0.000 2.427 141 F HA 0.464 5.020 4.527 0.048 0.000 0.348 141 F C 0.245 176.371 175.800 0.543 0.000 1.125 141 F CA -0.688 57.544 58.000 0.386 0.000 0.989 141 F CB 1.256 40.561 39.000 0.509 0.000 1.165 141 F HN 0.219 nan 8.300 nan 0.000 0.442 142 I N 2.654 123.487 120.570 0.437 0.000 2.488 142 I HA 0.704 4.903 4.170 0.048 0.000 0.299 142 I C 0.070 176.184 176.117 -0.006 0.000 0.984 142 I CA -0.796 60.700 61.300 0.327 0.000 1.250 142 I CB 1.295 39.319 38.000 0.040 0.000 1.389 142 I HN 0.716 nan 8.210 nan 0.000 0.488 143 A N 7.812 130.231 122.820 -0.668 0.000 2.548 143 A HA 0.231 4.580 4.320 0.048 0.000 0.247 143 A C -1.942 175.291 177.584 -0.586 0.000 1.067 143 A CA -0.785 50.469 52.037 -1.305 0.000 0.757 143 A CB -0.418 17.989 19.000 -0.988 0.000 0.996 143 A HN 0.669 nan 8.150 nan 0.000 0.504 144 P HA -0.149 nan 4.420 nan 0.000 0.225 144 P C 1.617 178.478 177.300 -0.732 0.000 1.148 144 P CA 1.620 64.057 63.100 -1.105 0.000 0.779 144 P CB 0.094 31.287 31.700 -0.844 0.000 0.780 145 S N -1.105 114.354 115.700 -0.402 0.000 2.465 145 S HA -0.170 4.329 4.470 0.048 0.000 0.241 145 S C 1.591 176.104 174.600 -0.145 0.000 1.000 145 S CA 0.968 59.029 58.200 -0.231 0.000 0.964 145 S CB -0.846 62.259 63.200 -0.159 0.000 0.763 145 S HN 0.138 nan 8.310 nan 0.000 0.512 146 Q N 0.141 119.876 119.800 -0.109 0.000 2.282 146 Q HA 0.394 4.763 4.340 0.048 0.000 0.206 146 Q C -0.083 176.019 176.000 0.169 0.000 0.878 146 Q CA -0.263 55.549 55.803 0.016 0.000 0.944 146 Q CB -0.183 28.563 28.738 0.014 0.000 1.100 146 Q HN 0.647 nan 8.270 nan 0.000 0.509 147 F N 1.611 121.507 119.950 -0.091 0.000 2.539 147 F HA 0.032 4.588 4.527 0.048 0.000 0.340 147 F C 1.003 176.743 175.800 -0.099 0.000 1.185 147 F CA -0.048 57.906 58.000 -0.077 0.000 1.333 147 F CB 0.633 39.596 39.000 -0.061 0.000 1.152 147 F HN -0.308 nan 8.300 nan 0.000 0.602 148 K N 1.662 122.116 120.400 0.088 0.000 2.265 148 K HA 0.106 4.455 4.320 0.048 0.000 0.267 148 K C -0.186 176.426 176.600 0.021 0.000 0.994 148 K CA -0.710 55.589 56.287 0.020 0.000 0.860 148 K CB 1.071 33.571 32.500 0.001 0.000 1.099 148 K HN 0.556 nan 8.250 nan 0.000 0.448 149 N N 3.085 121.775 118.700 -0.015 0.000 2.707 149 N HA -0.259 4.510 4.740 0.048 0.000 0.253 149 N C -0.692 174.925 175.510 0.179 0.000 0.998 149 N CA 1.080 54.162 53.050 0.053 0.000 0.751 149 N CB -1.262 37.280 38.487 0.092 0.000 0.920 149 N HN 0.906 nan 8.380 nan 0.000 0.539 150 H N -3.062 116.126 119.070 0.197 0.000 2.992 150 H HA -0.185 4.400 4.556 0.048 0.000 0.266 150 H C -0.362 175.134 175.328 0.279 0.000 1.200 150 H CA 1.507 57.750 56.048 0.325 0.000 1.135 150 H CB -1.146 28.736 29.762 0.199 0.000 1.282 150 H HN 0.532 nan 8.280 nan 0.000 0.351 151 E N -0.244 120.027 120.200 0.117 0.000 2.410 151 E HA 0.384 4.763 4.350 0.048 0.000 0.269 151 E C 1.231 177.590 176.600 -0.402 0.000 0.937 151 E CA 0.166 56.469 56.400 -0.162 0.000 0.793 151 E CB 1.525 31.197 29.700 -0.048 0.000 1.314 151 E HN 0.230 nan 8.360 nan 0.000 0.447 152 T N -3.434 110.863 114.554 -0.430 0.000 2.975 152 T HA 0.042 4.421 4.350 0.048 0.000 0.257 152 T C 1.643 176.259 174.700 -0.141 0.000 1.003 152 T CA 0.062 61.979 62.100 -0.305 0.000 0.932 152 T CB -0.098 68.591 68.868 -0.299 0.000 1.087 152 T HN 0.479 nan 8.240 nan 0.000 0.512 153 M N 0.933 120.474 119.600 -0.099 0.000 2.460 153 M HA 0.193 4.702 4.480 0.048 0.000 0.263 153 M C 0.705 176.980 176.300 -0.041 0.000 1.071 153 M CA 1.228 56.499 55.300 -0.048 0.000 1.096 153 M CB -0.651 31.933 32.600 -0.027 0.000 1.408 153 M HN -0.027 nan 8.290 nan 0.000 0.463 154 N N 1.456 120.129 118.700 -0.045 0.000 2.251 154 N HA 0.348 5.117 4.740 0.048 0.000 0.217 154 N C 0.391 175.880 175.510 -0.035 0.000 1.124 154 N CA 0.878 53.910 53.050 -0.030 0.000 0.843 154 N CB 1.156 39.632 38.487 -0.018 0.000 1.024 154 N HN 0.619 nan 8.380 nan 0.000 0.501 155 G N 1.022 109.791 108.800 -0.052 0.000 2.497 155 G HA2 -0.034 3.955 3.960 0.048 0.000 0.686 155 G HA3 -0.034 3.955 3.960 0.048 0.000 0.686 155 G C -0.887 173.977 174.900 -0.059 0.000 1.288 155 G CA -0.638 44.431 45.100 -0.052 0.000 0.899 155 G HN 0.192 nan 8.290 nan 0.000 0.608 156 I N -2.696 117.845 120.570 -0.048 0.000 3.206 156 I HA 0.831 5.030 4.170 0.048 0.000 0.313 156 I C 0.689 176.803 176.117 -0.006 0.000 1.103 156 I CA -1.416 59.869 61.300 -0.024 0.000 0.985 156 I CB 1.818 39.796 38.000 -0.037 0.000 1.240 156 I HN 0.665 nan 8.210 nan 0.000 0.464 157 K N 1.414 121.821 120.400 0.012 0.000 3.215 157 K HA 0.577 4.926 4.320 0.048 0.000 0.171 157 K C 0.364 176.968 176.600 0.007 0.000 1.127 157 K CA -0.045 56.245 56.287 0.004 0.000 1.421 157 K CB -0.239 32.263 32.500 0.003 0.000 1.962 157 K HN 0.725 nan 8.250 nan 0.000 0.478 158 A N 2.728 125.555 122.820 0.011 0.000 2.354 158 A HA 0.265 4.614 4.320 0.048 0.000 0.269 158 A C -2.286 175.328 177.584 0.050 0.000 1.109 158 A CA -1.339 50.707 52.037 0.016 0.000 0.800 158 A CB -0.030 18.976 19.000 0.009 0.000 1.045 158 A HN 0.254 nan 8.150 nan 0.000 0.489 159 P HA 0.154 nan 4.420 nan 0.000 0.237 159 P C -0.816 176.557 177.300 0.122 0.000 1.788 159 P CA 0.124 63.312 63.100 0.147 0.000 1.061 159 P CB -0.255 31.498 31.700 0.088 0.000 1.967 160 I N 2.045 122.721 120.570 0.177 0.000 2.291 160 I HA 0.346 4.545 4.170 0.048 0.000 0.290 160 I C 1.215 177.544 176.117 0.352 0.000 1.050 160 I CA -0.146 61.254 61.300 0.166 0.000 1.245 160 I CB 0.733 38.787 38.000 0.090 0.000 1.405 160 I HN 0.156 nan 8.210 nan 0.000 0.478 161 G N 3.722 112.678 108.800 0.260 0.000 2.820 161 G HA2 0.475 4.464 3.960 0.048 0.000 0.291 161 G HA3 0.475 4.464 3.960 0.048 0.000 0.291 161 G C 0.617 175.782 174.900 0.442 0.000 1.323 161 G CA -0.059 45.288 45.100 0.412 0.000 1.055 161 G HN 0.519 nan 8.290 nan 0.000 0.520 162 T N -2.746 111.997 114.554 0.316 0.000 3.086 162 T HA 0.342 4.721 4.350 0.048 0.000 0.250 162 T C 1.209 176.108 174.700 0.333 0.000 1.074 162 T CA 0.547 62.758 62.100 0.186 0.000 0.988 162 T CB 0.122 68.944 68.868 -0.077 0.000 0.988 162 T HN 0.725 nan 8.240 nan 0.000 0.530 163 G N 2.467 111.394 108.800 0.211 0.000 2.651 163 G HA2 0.432 4.421 3.960 0.048 0.000 0.260 163 G HA3 0.432 4.421 3.960 0.048 0.000 0.260 163 G C -1.298 173.396 174.900 -0.344 0.000 1.216 163 G CA -1.310 43.829 45.100 0.066 0.000 0.913 163 G HN 0.092 nan 8.290 nan 0.000 0.535 164 P HA 0.017 nan 4.420 nan 0.000 0.233 164 P C -0.560 176.112 177.300 -1.046 0.000 1.167 164 P CA 0.679 62.954 63.100 -1.377 0.000 0.770 164 P CB 0.223 30.973 31.700 -1.584 0.000 0.837 165 W N 0.193 121.388 121.300 -0.175 0.000 2.736 165 W HA 0.559 5.248 4.660 0.048 0.000 0.335 165 W C -0.114 176.435 176.519 0.049 0.000 1.059 165 W CA -0.867 56.461 57.345 -0.028 0.000 1.226 165 W CB 1.346 30.790 29.460 -0.027 0.000 1.416 165 W HN -0.349 nan 8.180 nan 0.000 0.505 166 I N 3.422 124.205 120.570 0.355 0.000 2.433 166 I HA 0.236 4.435 4.170 0.048 0.000 0.292 166 I C -0.537 175.666 176.117 0.144 0.000 1.001 166 I CA -1.314 60.103 61.300 0.194 0.000 1.119 166 I CB 1.480 39.543 38.000 0.104 0.000 1.289 166 I HN 0.147 nan 8.210 nan 0.000 0.438 167 L N 5.934 127.113 121.223 -0.073 0.000 2.462 167 L HA 0.058 4.427 4.340 0.048 0.000 0.272 167 L C 1.105 177.820 176.870 -0.258 0.000 1.166 167 L CA 0.914 55.460 54.840 -0.490 0.000 0.880 167 L CB 0.642 42.390 42.059 -0.519 0.000 1.142 167 L HN 0.737 nan 8.230 nan 0.000 0.473 168 Q N 3.523 123.170 119.800 -0.256 0.000 2.107 168 Q HA 0.068 4.437 4.340 0.048 0.000 0.195 168 Q C -0.519 175.421 176.000 -0.101 0.000 0.964 168 Q CA 1.145 56.882 55.803 -0.111 0.000 0.833 168 Q CB 0.436 29.146 28.738 -0.046 0.000 0.910 168 Q HN 0.858 nan 8.270 nan 0.000 0.465 169 E N -1.102 119.028 120.200 -0.118 0.000 2.401 169 E HA 0.516 4.895 4.350 0.048 0.000 0.280 169 E C -1.607 174.951 176.600 -0.071 0.000 1.039 169 E CA -0.872 55.491 56.400 -0.061 0.000 0.814 169 E CB 1.718 31.434 29.700 0.027 0.000 1.275 169 E HN -0.064 nan 8.360 nan 0.000 0.448 170 S N 0.540 116.184 115.700 -0.093 0.000 2.547 170 S HA 0.483 4.982 4.470 0.048 0.000 0.281 170 S C -1.198 173.281 174.600 -0.202 0.000 1.118 170 S CA -1.103 57.022 58.200 -0.125 0.000 0.947 170 S CB 1.227 64.355 63.200 -0.120 0.000 1.053 170 S HN 0.391 nan 8.310 nan 0.000 0.482 171 K N 2.101 122.292 120.400 -0.349 0.000 2.483 171 K HA 0.327 4.676 4.320 0.048 0.000 0.256 171 K C -1.080 175.378 176.600 -0.236 0.000 0.961 171 K CA -0.912 55.145 56.287 -0.384 0.000 0.873 171 K CB 1.812 33.850 32.500 -0.771 0.000 1.107 171 K HN 0.435 nan 8.250 nan 0.000 0.432 172 L N 3.863 125.005 121.223 -0.135 0.000 2.615 172 L HA -0.071 4.298 4.340 0.048 0.000 0.271 172 L C 0.541 177.377 176.870 -0.056 0.000 1.183 172 L CA 1.304 56.102 54.840 -0.071 0.000 0.933 172 L CB -0.755 41.275 42.059 -0.048 0.000 1.199 172 L HN 0.867 nan 8.230 nan 0.000 0.487 173 N N 1.763 120.451 118.700 -0.019 0.000 2.965 173 N HA -0.238 4.531 4.740 0.048 0.000 0.232 173 N C 0.572 176.090 175.510 0.013 0.000 0.913 173 N CA 1.760 54.814 53.050 0.007 0.000 0.981 173 N CB -0.704 37.784 38.487 0.001 0.000 1.077 173 N HN 0.886 nan 8.380 nan 0.000 0.589 174 Q N -1.752 118.029 119.800 -0.032 0.000 2.642 174 Q HA 0.403 4.772 4.340 0.048 0.000 0.202 174 Q C -0.387 175.700 176.000 0.145 0.000 0.845 174 Q CA 1.113 56.918 55.803 0.002 0.000 0.873 174 Q CB 0.575 29.213 28.738 -0.167 0.000 1.190 174 Q HN 0.542 nan 8.270 nan 0.000 0.642 175 Y N -2.729 117.623 120.300 0.086 0.000 2.741 175 Y HA 0.635 5.214 4.550 0.048 0.000 0.339 175 Y C -2.105 173.857 175.900 0.103 0.000 1.226 175 Y CA -1.613 56.558 58.100 0.119 0.000 1.072 175 Y CB 0.862 39.381 38.460 0.099 0.000 1.331 175 Y HN -0.173 nan 8.280 nan 0.000 0.453 176 D N 0.937 121.612 120.400 0.458 0.000 2.819 176 D HA 0.598 5.267 4.640 0.048 0.000 0.232 176 D C -1.389 175.121 176.300 0.351 0.000 1.160 176 D CA -0.458 53.715 54.000 0.290 0.000 0.858 176 D CB 3.169 44.070 40.800 0.168 0.000 1.610 176 D HN 0.488 nan 8.370 nan 0.000 0.481 177 V N 2.084 122.069 119.914 0.119 0.000 2.487 177 V HA 0.481 4.630 4.120 0.048 0.000 0.298 177 V C -0.774 175.248 176.094 -0.121 0.000 1.028 177 V CA -0.690 61.666 62.300 0.094 0.000 0.860 177 V CB 1.260 33.112 31.823 0.049 0.000 0.991 177 V HN 0.364 nan 8.190 nan 0.000 0.427 178 F N 3.599 123.578 119.950 0.048 0.000 2.492 178 F HA 0.807 5.363 4.527 0.048 0.000 0.327 178 F C 0.198 176.043 175.800 0.076 0.000 1.079 178 F CA -0.784 57.239 58.000 0.038 0.000 0.967 178 F CB 2.171 41.147 39.000 -0.041 0.000 1.169 178 F HN 0.412 nan 8.300 nan 0.000 0.472 179 V N -0.134 119.980 119.914 0.334 0.000 3.001 179 V HA 0.633 4.782 4.120 0.048 0.000 0.314 179 V C -0.338 176.011 176.094 0.425 0.000 1.099 179 V CA -1.410 61.081 62.300 0.319 0.000 0.989 179 V CB 1.735 33.652 31.823 0.157 0.000 1.040 179 V HN 0.831 nan 8.190 nan 0.000 0.434 180 R N 2.335 123.018 120.500 0.306 0.000 2.570 180 R HA 0.114 4.483 4.340 0.048 0.000 0.277 180 R C 0.072 176.340 176.300 -0.055 0.000 1.039 180 R CA -0.097 55.977 56.100 -0.043 0.000 1.065 180 R CB 0.262 30.488 30.300 -0.124 0.000 0.964 180 R HN 0.948 nan 8.270 nan 0.000 0.428 181 N N 3.267 121.866 118.700 -0.169 0.000 2.399 181 N HA -0.047 4.722 4.740 0.048 0.000 0.259 181 N C -0.069 175.415 175.510 -0.044 0.000 1.160 181 N CA 0.137 53.145 53.050 -0.070 0.000 0.946 181 N CB 0.948 39.389 38.487 -0.077 0.000 1.156 181 N HN 0.561 nan 8.380 nan 0.000 0.489 182 E N 2.106 122.304 120.200 -0.004 0.000 2.482 182 E HA -0.002 4.377 4.350 0.048 0.000 0.196 182 E C -0.223 176.389 176.600 0.020 0.000 1.047 182 E CA 0.480 56.881 56.400 0.001 0.000 0.869 182 E CB 0.131 29.836 29.700 0.007 0.000 0.836 182 E HN 0.580 nan 8.360 nan 0.000 0.520 183 N N 0.369 119.096 118.700 0.046 0.000 2.401 183 N HA -0.020 4.749 4.740 0.048 0.000 0.264 183 N C -0.430 175.134 175.510 0.091 0.000 1.238 183 N CA -0.223 52.861 53.050 0.057 0.000 0.889 183 N CB 0.306 38.831 38.487 0.062 0.000 1.196 183 N HN 0.084 nan 8.380 nan 0.000 0.511 184 Y N 2.180 122.431 120.300 -0.081 0.000 2.511 184 Y HA -0.042 4.537 4.550 0.048 0.000 0.332 184 Y C 1.699 177.521 175.900 -0.130 0.000 1.177 184 Y CA -0.769 57.247 58.100 -0.140 0.000 1.422 184 Y CB 0.437 38.731 38.460 -0.276 0.000 1.271 184 Y HN 0.218 nan 8.280 nan 0.000 0.550 185 W N 4.780 125.639 121.300 -0.736 0.000 2.374 185 W HA 0.064 4.753 4.660 0.048 0.000 0.288 185 W C 0.387 176.462 176.519 -0.740 0.000 1.218 185 W CA 0.807 57.764 57.345 -0.646 0.000 1.245 185 W CB -1.137 27.988 29.460 -0.557 0.000 1.126 185 W HN 0.659 nan 8.180 nan 0.000 0.545 186 G N 1.097 108.619 108.800 -2.129 0.000 2.773 186 G HA2 0.223 4.212 3.960 0.048 0.000 0.186 186 G HA3 0.223 4.212 3.960 0.048 0.000 0.186 186 G C -0.732 173.825 174.900 -0.572 0.000 1.411 186 G CA -0.863 43.356 45.100 -1.468 0.000 1.054 186 G HN 0.113 nan 8.290 nan 0.000 0.579 187 E N 0.871 120.912 120.200 -0.265 0.000 2.360 187 E HA 0.181 4.560 4.350 0.048 0.000 0.269 187 E C -0.549 176.046 176.600 -0.009 0.000 1.022 187 E CA -0.409 55.938 56.400 -0.088 0.000 0.887 187 E CB 0.785 30.456 29.700 -0.048 0.000 0.990 187 E HN 0.034 nan 8.360 nan 0.000 0.426 188 K N 3.486 123.861 120.400 -0.042 0.000 2.379 188 K HA 0.224 4.573 4.320 0.048 0.000 0.284 188 K C -2.341 174.194 176.600 -0.108 0.000 1.044 188 K CA -2.424 53.816 56.287 -0.078 0.000 0.974 188 K CB -0.483 31.981 32.500 -0.060 0.000 0.962 188 K HN 0.257 nan 8.250 nan 0.000 0.474 189 P HA 0.069 nan 4.420 nan 0.000 0.269 189 P C 0.264 177.543 177.300 -0.036 0.000 1.209 189 P CA -0.123 62.889 63.100 -0.146 0.000 0.776 189 P CB 0.787 32.258 31.700 -0.382 0.000 0.876 190 A N 3.261 126.104 122.820 0.038 0.000 1.930 190 A HA -0.034 4.314 4.320 0.048 0.000 0.217 190 A C 1.050 178.686 177.584 0.087 0.000 1.175 190 A CA 0.883 52.950 52.037 0.050 0.000 0.627 190 A CB -0.839 18.192 19.000 0.051 0.000 0.815 190 A HN 0.541 nan 8.150 nan 0.000 0.443 191 I N -0.166 120.509 120.570 0.175 0.000 2.441 191 I HA 0.076 4.275 4.170 0.048 0.000 0.287 191 I C 1.325 177.612 176.117 0.282 0.000 1.049 191 I CA -0.067 61.368 61.300 0.225 0.000 1.381 191 I CB 1.382 39.549 38.000 0.278 0.000 1.409 191 I HN 0.262 nan 8.210 nan 0.000 0.523 192 K N 5.413 125.925 120.400 0.186 0.000 2.308 192 K HA 0.161 4.510 4.320 0.048 0.000 0.197 192 K C 0.421 177.152 176.600 0.219 0.000 1.049 192 K CA 0.540 56.930 56.287 0.170 0.000 0.991 192 K CB 0.518 33.068 32.500 0.083 0.000 0.836 192 K HN 0.512 nan 8.250 nan 0.000 0.500 193 K N 0.825 121.312 120.400 0.146 0.000 2.525 193 K HA 0.359 4.708 4.320 0.048 0.000 0.254 193 K C -1.730 174.828 176.600 -0.071 0.000 0.934 193 K CA -0.608 55.721 56.287 0.071 0.000 0.802 193 K CB 1.524 34.041 32.500 0.030 0.000 1.295 193 K HN -0.021 nan 8.250 nan 0.000 0.433 194 I N 2.689 123.169 120.570 -0.151 0.000 2.478 194 I HA 0.234 4.433 4.170 0.048 0.000 0.287 194 I C -0.728 175.254 176.117 -0.225 0.000 1.042 194 I CA -0.659 60.414 61.300 -0.378 0.000 1.067 194 I CB 2.352 39.852 38.000 -0.834 0.000 1.233 194 I HN 0.477 nan 8.210 nan 0.000 0.431 195 T N 5.893 120.280 114.554 -0.278 0.000 2.771 195 T HA 0.518 4.897 4.350 0.048 0.000 0.281 195 T C -0.573 173.985 174.700 -0.236 0.000 0.982 195 T CA -0.268 61.756 62.100 -0.127 0.000 0.978 195 T CB 0.533 69.323 68.868 -0.130 0.000 0.930 195 T HN 0.102 nan 8.240 nan 0.000 0.447 196 F N 2.888 122.891 119.950 0.089 0.000 2.334 196 F HA 0.336 4.892 4.527 0.048 0.000 0.367 196 F C 1.072 176.993 175.800 0.201 0.000 1.115 196 F CA -0.900 57.191 58.000 0.151 0.000 1.116 196 F CB 0.384 39.520 39.000 0.227 0.000 1.230 196 F HN 0.470 nan 8.300 nan 0.000 0.484 197 N N 2.018 120.879 118.700 0.269 0.000 2.497 197 N HA 0.240 5.009 4.740 0.048 0.000 0.271 197 N C -0.865 174.815 175.510 0.284 0.000 1.142 197 N CA -0.485 52.715 53.050 0.250 0.000 0.965 197 N CB 1.360 39.936 38.487 0.147 0.000 1.077 197 N HN 0.211 nan 8.380 nan 0.000 0.462 198 V N 4.785 124.857 119.914 0.263 0.000 2.387 198 V HA 0.174 4.323 4.120 0.048 0.000 0.260 198 V C 0.224 176.409 176.094 0.151 0.000 1.054 198 V CA 0.192 62.625 62.300 0.222 0.000 0.967 198 V CB -0.490 31.440 31.823 0.179 0.000 1.036 198 V HN 0.552 nan 8.190 nan 0.000 0.481 199 I N 8.017 128.665 120.570 0.129 0.000 2.542 199 I HA 0.298 4.497 4.170 0.048 0.000 0.278 199 I C -1.672 174.463 176.117 0.030 0.000 1.069 199 I CA -1.463 59.883 61.300 0.077 0.000 1.100 199 I CB 2.510 40.558 38.000 0.081 0.000 1.204 199 I HN 0.387 nan 8.210 nan 0.000 0.470 200 P HA -0.051 nan 4.420 nan 0.000 0.222 200 P C 0.176 177.453 177.300 -0.038 0.000 1.153 200 P CA 0.880 63.969 63.100 -0.019 0.000 0.798 200 P CB 0.230 31.927 31.700 -0.006 0.000 0.796 201 D N -0.089 120.299 120.400 -0.020 0.000 2.225 201 D HA 0.150 4.819 4.640 0.048 0.000 0.248 201 D C -1.527 174.753 176.300 -0.032 0.000 1.096 201 D CA -2.500 51.484 54.000 -0.026 0.000 0.863 201 D CB 1.362 42.155 40.800 -0.011 0.000 1.156 201 D HN -0.170 nan 8.370 nan 0.000 0.450 202 P HA -0.120 nan 4.420 nan 0.000 0.216 202 P C 1.114 178.389 177.300 -0.040 0.000 1.150 202 P CA 1.136 64.199 63.100 -0.062 0.000 0.837 202 P CB 0.150 31.799 31.700 -0.085 0.000 0.786 203 T N -1.025 113.509 114.554 -0.032 0.000 2.746 203 T HA -0.157 4.222 4.350 0.048 0.000 0.267 203 T C 1.913 176.623 174.700 0.017 0.000 1.039 203 T CA 2.200 64.290 62.100 -0.016 0.000 1.142 203 T CB -1.191 67.668 68.868 -0.016 0.000 0.866 203 T HN 0.277 nan 8.240 nan 0.000 0.444 204 T N 1.442 116.007 114.554 0.018 0.000 2.951 204 T HA -0.041 4.338 4.350 0.048 0.000 0.268 204 T C 2.003 176.738 174.700 0.058 0.000 1.073 204 T CA 0.755 62.877 62.100 0.038 0.000 1.134 204 T CB -0.185 68.703 68.868 0.032 0.000 0.884 204 T HN 0.309 nan 8.240 nan 0.000 0.479 205 R N 0.555 121.084 120.500 0.048 0.000 2.073 205 R HA 0.053 4.422 4.340 0.048 0.000 0.234 205 R C 2.951 179.329 176.300 0.130 0.000 1.134 205 R CA 1.407 57.551 56.100 0.074 0.000 0.952 205 R CB -0.715 29.607 30.300 0.036 0.000 0.850 205 R HN 0.519 nan 8.270 nan 0.000 0.433 206 A N 0.770 123.659 122.820 0.116 0.000 1.883 206 A HA -0.132 4.217 4.320 0.048 0.000 0.217 206 A C 2.389 180.149 177.584 0.294 0.000 1.186 206 A CA 1.542 53.714 52.037 0.225 0.000 0.624 206 A CB -0.635 18.412 19.000 0.078 0.000 0.822 206 A HN 0.123 nan 8.150 nan 0.000 0.444 207 V N -0.063 119.956 119.914 0.175 0.000 2.332 207 V HA -0.281 3.868 4.120 0.048 0.000 0.248 207 V C 3.055 179.217 176.094 0.113 0.000 1.055 207 V CA 2.004 64.388 62.300 0.140 0.000 1.038 207 V CB -1.311 30.564 31.823 0.086 0.000 0.651 207 V HN 0.629 nan 8.190 nan 0.000 0.450 208 A N -0.681 122.204 122.820 0.109 0.000 1.940 208 A HA -0.256 4.093 4.320 0.048 0.000 0.219 208 A C 2.106 179.729 177.584 0.065 0.000 1.176 208 A CA 2.107 54.190 52.037 0.077 0.000 0.631 208 A CB -0.687 18.364 19.000 0.085 0.000 0.814 208 A HN 0.553 nan 8.150 nan 0.000 0.446 209 F N 0.776 120.719 119.950 -0.012 0.000 2.163 209 F HA -0.077 4.479 4.527 0.049 0.000 0.297 209 F C 2.165 177.848 175.800 -0.196 0.000 1.094 209 F CA 1.952 59.887 58.000 -0.108 0.000 1.290 209 F CB -0.214 38.719 39.000 -0.113 0.000 1.017 209 F HN 0.339 nan 8.300 nan 0.000 0.483 210 E N -0.627 119.533 120.200 -0.066 0.000 2.153 210 E HA -0.196 4.183 4.350 0.048 0.000 0.194 210 E C 2.037 178.554 176.600 -0.139 0.000 0.988 210 E CA 1.706 58.041 56.400 -0.108 0.000 0.811 210 E CB -0.327 29.453 29.700 0.133 0.000 0.746 210 E HN 0.534 nan 8.360 nan 0.000 0.466 211 T N -3.211 111.279 114.554 -0.107 0.000 3.088 211 T HA 0.157 4.536 4.350 0.048 0.000 0.259 211 T C 1.589 176.203 174.700 -0.143 0.000 1.122 211 T CA 0.563 62.611 62.100 -0.087 0.000 1.095 211 T CB 0.436 69.282 68.868 -0.037 0.000 0.930 211 T HN 0.282 nan 8.240 nan 0.000 0.508 212 G N 1.245 109.893 108.800 -0.253 0.000 2.157 212 G HA2 -0.235 3.753 3.960 0.048 0.000 0.248 212 G HA3 -0.235 3.753 3.960 0.048 0.000 0.248 212 G C 0.490 175.285 174.900 -0.175 0.000 0.979 212 G CA 0.283 45.222 45.100 -0.269 0.000 0.650 212 G HN 0.502 nan 8.290 nan 0.000 0.529 213 D N 0.154 120.482 120.400 -0.121 0.000 2.224 213 D HA 0.111 4.780 4.640 0.048 0.000 0.205 213 D C 1.658 177.930 176.300 -0.048 0.000 0.965 213 D CA 1.503 55.465 54.000 -0.064 0.000 0.852 213 D CB 0.136 40.920 40.800 -0.026 0.000 0.947 213 D HN 0.884 nan 8.370 nan 0.000 0.494 214 I N -3.071 117.475 120.570 -0.041 0.000 2.892 214 I HA 0.393 4.592 4.170 0.048 0.000 0.306 214 I C -0.236 175.901 176.117 0.033 0.000 1.078 214 I CA -0.801 60.509 61.300 0.016 0.000 1.032 214 I CB 2.495 40.549 38.000 0.089 0.000 1.229 214 I HN -0.440 nan 8.210 nan 0.000 0.435 215 D N 2.494 122.933 120.400 0.065 0.000 2.423 215 D HA 0.282 4.951 4.640 0.048 0.000 0.208 215 D C -0.193 176.244 176.300 0.228 0.000 1.068 215 D CA 0.777 54.836 54.000 0.099 0.000 0.860 215 D CB 1.296 42.113 40.800 0.028 0.000 0.992 215 D HN 0.382 nan 8.370 nan 0.000 0.504 216 L N 0.569 121.908 121.223 0.193 0.000 2.513 216 L HA 0.420 4.789 4.340 0.048 0.000 0.261 216 L C -2.187 174.761 176.870 0.131 0.000 0.945 216 L CA -0.521 54.409 54.840 0.151 0.000 0.848 216 L CB 1.984 44.117 42.059 0.123 0.000 1.334 216 L HN -0.237 nan 8.230 nan 0.000 0.407 217 L N 4.903 126.178 121.223 0.087 0.000 2.386 217 L HA 0.584 4.953 4.340 0.048 0.000 0.271 217 L C -1.704 175.261 176.870 0.158 0.000 0.993 217 L CA -0.679 54.224 54.840 0.106 0.000 0.819 217 L CB 2.210 44.283 42.059 0.025 0.000 1.294 217 L HN 0.727 nan 8.230 nan 0.000 0.414 218 Y N 2.201 122.529 120.300 0.047 0.000 2.362 218 Y HA 0.704 5.283 4.550 0.048 0.000 0.326 218 Y C -0.220 175.719 175.900 0.066 0.000 1.083 218 Y CA -0.265 57.857 58.100 0.037 0.000 1.073 218 Y CB 1.992 40.445 38.460 -0.011 0.000 1.211 218 Y HN 0.653 nan 8.280 nan 0.000 0.433 219 G N 3.904 112.704 108.800 -0.000 0.000 2.348 219 G HA2 0.182 4.171 3.960 0.048 0.000 0.296 219 G HA3 0.182 4.171 3.960 0.048 0.000 0.296 219 G C -1.594 173.230 174.900 -0.126 0.000 1.258 219 G CA -0.707 44.413 45.100 0.035 0.000 0.868 219 G HN 0.799 nan 8.290 nan 0.000 0.488 220 N N -0.563 118.073 118.700 -0.106 0.000 2.547 220 N HA 0.228 4.996 4.740 0.048 0.000 0.301 220 N C 1.355 176.743 175.510 -0.203 0.000 1.328 220 N CA 0.414 53.376 53.050 -0.147 0.000 0.932 220 N CB 0.058 38.490 38.487 -0.092 0.000 1.104 220 N HN 0.596 nan 8.380 nan 0.000 0.548 221 E N -1.437 118.647 120.200 -0.193 0.000 2.401 221 E HA -0.077 4.302 4.350 0.048 0.000 0.199 221 E C 1.090 177.569 176.600 -0.202 0.000 1.023 221 E CA 1.321 57.591 56.400 -0.218 0.000 0.859 221 E CB -1.012 28.579 29.700 -0.182 0.000 0.780 221 E HN 0.754 nan 8.360 nan 0.000 0.523 222 G N 0.985 109.678 108.800 -0.179 0.000 3.141 222 G HA2 0.060 4.049 3.960 0.048 0.000 0.218 222 G HA3 0.060 4.049 3.960 0.048 0.000 0.218 222 G C 1.288 176.082 174.900 -0.176 0.000 1.170 222 G CA 0.174 45.173 45.100 -0.168 0.000 0.769 222 G HN 0.247 nan 8.290 nan 0.000 0.546 223 L N 0.381 121.490 121.223 -0.190 0.000 2.017 223 L HA 0.271 4.640 4.340 0.048 0.000 0.208 223 L C 0.939 177.725 176.870 -0.140 0.000 1.073 223 L CA 1.687 56.425 54.840 -0.171 0.000 0.745 223 L CB -0.118 41.841 42.059 -0.167 0.000 0.894 223 L HN 0.328 nan 8.230 nan 0.000 0.432 224 L N -6.213 114.919 121.223 -0.152 0.000 2.600 224 L HA 0.617 4.986 4.340 0.048 0.000 0.257 224 L C -2.723 174.050 176.870 -0.161 0.000 1.048 224 L CA -1.990 52.770 54.840 -0.133 0.000 0.869 224 L CB 0.848 42.840 42.059 -0.112 0.000 1.482 224 L HN -0.363 nan 8.230 nan 0.000 0.408 225 P HA 0.216 nan 4.420 nan 0.000 0.265 225 P C 0.544 177.708 177.300 -0.227 0.000 1.193 225 P CA -0.046 62.944 63.100 -0.182 0.000 0.765 225 P CB 0.705 32.296 31.700 -0.182 0.000 0.823 226 L N 1.942 123.034 121.223 -0.217 0.000 2.217 226 L HA -0.116 4.253 4.340 0.048 0.000 0.211 226 L C 2.050 178.651 176.870 -0.449 0.000 1.107 226 L CA 1.194 55.913 54.840 -0.203 0.000 0.783 226 L CB -0.691 41.328 42.059 -0.066 0.000 0.919 226 L HN 0.460 nan 8.230 nan 0.000 0.442 227 D N -0.843 119.014 120.400 -0.905 0.000 2.117 227 D HA -0.186 4.483 4.640 0.048 0.000 0.197 227 D C 1.776 177.744 176.300 -0.553 0.000 0.987 227 D CA 1.889 55.165 54.000 -1.207 0.000 0.829 227 D CB -0.569 39.568 40.800 -1.105 0.000 0.961 227 D HN 0.166 nan 8.370 nan 0.000 0.460 228 T N 0.056 114.333 114.554 -0.461 0.000 2.777 228 T HA -0.081 4.298 4.350 0.048 0.000 0.266 228 T C 1.539 175.823 174.700 -0.692 0.000 1.040 228 T CA 0.966 62.736 62.100 -0.551 0.000 1.141 228 T CB -0.658 67.857 68.868 -0.588 0.000 0.868 228 T HN 0.179 nan 8.240 nan 0.000 0.444 229 F N 2.396 121.995 119.950 -0.586 0.000 2.095 229 F HA -0.086 4.470 4.527 0.049 0.000 0.298 229 F C 2.456 178.139 175.800 -0.193 0.000 1.104 229 F CA 1.137 58.908 58.000 -0.382 0.000 1.232 229 F CB -0.666 38.179 39.000 -0.258 0.000 0.987 229 F HN 0.145 nan 8.300 nan 0.000 0.475 230 A N 0.474 123.209 122.820 -0.142 0.000 1.908 230 A HA -0.243 4.106 4.320 0.048 0.000 0.218 230 A C 2.355 179.855 177.584 -0.139 0.000 1.181 230 A CA 1.881 53.840 52.037 -0.129 0.000 0.627 230 A CB -0.939 18.052 19.000 -0.015 0.000 0.818 230 A HN 0.499 nan 8.150 nan 0.000 0.445 231 R N -1.656 118.769 120.500 -0.125 0.000 2.081 231 R HA -0.140 4.229 4.340 0.048 0.000 0.235 231 R C 1.752 178.127 176.300 0.126 0.000 1.131 231 R CA 1.819 57.913 56.100 -0.010 0.000 0.960 231 R CB -0.406 29.898 30.300 0.007 0.000 0.856 231 R HN 0.410 nan 8.270 nan 0.000 0.436 232 F N 0.808 120.694 119.950 -0.106 0.000 2.216 232 F HA -0.078 4.478 4.527 0.049 0.000 0.300 232 F C 2.472 178.186 175.800 -0.143 0.000 1.085 232 F CA 1.036 59.031 58.000 -0.009 0.000 1.326 232 F CB -0.765 38.213 39.000 -0.037 0.000 1.027 232 F HN 0.025 nan 8.300 nan 0.000 0.497 233 S N -0.715 114.900 115.700 -0.142 0.000 2.447 233 S HA -0.167 4.332 4.470 0.048 0.000 0.233 233 S C 1.723 176.262 174.600 -0.100 0.000 1.006 233 S CA 0.834 58.895 58.200 -0.231 0.000 0.957 233 S CB -0.284 62.706 63.200 -0.350 0.000 0.773 233 S HN 0.520 nan 8.310 nan 0.000 0.507 234 Q N 0.534 120.298 119.800 -0.060 0.000 2.356 234 Q HA 0.176 4.545 4.340 0.048 0.000 0.205 234 Q C 0.156 176.117 176.000 -0.065 0.000 0.901 234 Q CA -0.209 55.566 55.803 -0.047 0.000 0.938 234 Q CB 0.116 28.835 28.738 -0.033 0.000 1.081 234 Q HN 0.246 nan 8.270 nan 0.000 0.517 235 N N 2.360 121.005 118.700 -0.092 0.000 2.401 235 N HA 0.038 4.807 4.740 0.048 0.000 0.255 235 N C -1.809 173.578 175.510 -0.205 0.000 1.110 235 N CA -1.508 51.403 53.050 -0.232 0.000 0.949 235 N CB 1.233 39.409 38.487 -0.519 0.000 1.110 235 N HN -0.009 nan 8.380 nan 0.000 0.490 236 P HA -0.038 nan 4.420 nan 0.000 0.230 236 P C 0.561 177.817 177.300 -0.073 0.000 1.158 236 P CA 0.575 63.624 63.100 -0.084 0.000 0.769 236 P CB 0.273 31.932 31.700 -0.068 0.000 0.807 237 A N -1.955 120.760 122.820 -0.176 0.000 2.169 237 A HA 0.050 4.399 4.320 0.048 0.000 0.212 237 A C 0.514 178.220 177.584 0.203 0.000 1.153 237 A CA 0.607 52.598 52.037 -0.077 0.000 0.756 237 A CB -0.577 18.306 19.000 -0.195 0.000 0.813 237 A HN 0.050 nan 8.150 nan 0.000 0.471 238 Y N -1.638 118.675 120.300 0.021 0.000 2.602 238 Y HA 0.613 5.192 4.550 0.048 0.000 0.330 238 Y C 0.007 175.976 175.900 0.115 0.000 1.114 238 Y CA -2.188 55.965 58.100 0.088 0.000 1.182 238 Y CB 0.474 38.934 38.460 0.001 0.000 1.305 238 Y HN 0.293 nan 8.280 nan 0.000 0.502 239 H N -0.030 119.159 119.070 0.199 0.000 2.495 239 H HA 0.656 5.241 4.556 0.048 0.000 0.348 239 H C -0.899 174.449 175.328 0.034 0.000 1.113 239 H CA -0.469 55.632 56.048 0.089 0.000 1.195 239 H CB 1.447 31.254 29.762 0.075 0.000 1.521 239 H HN 0.704 nan 8.280 nan 0.000 0.509 240 T N 2.039 116.268 114.554 -0.542 0.000 2.896 240 T HA 0.622 5.001 4.350 0.048 0.000 0.297 240 T C -0.870 173.578 174.700 -0.420 0.000 1.108 240 T CA -1.050 60.822 62.100 -0.380 0.000 1.004 240 T CB 2.200 70.832 68.868 -0.393 0.000 1.159 240 T HN 0.667 nan 8.240 nan 0.000 0.499 241 Q N 0.269 120.037 119.800 -0.054 0.000 2.416 241 Q HA 0.726 5.095 4.340 0.048 0.000 0.281 241 Q C -1.982 174.155 176.000 0.228 0.000 1.067 241 Q CA -1.082 54.764 55.803 0.073 0.000 0.809 241 Q CB 2.947 31.747 28.738 0.104 0.000 1.418 241 Q HN 0.626 nan 8.270 nan 0.000 0.411 242 L N 1.336 122.663 121.223 0.175 0.000 2.439 242 L HA 0.477 4.846 4.340 0.048 0.000 0.270 242 L C -0.540 176.326 176.870 -0.006 0.000 0.972 242 L CA -0.105 54.770 54.840 0.057 0.000 0.836 242 L CB 2.070 44.188 42.059 0.098 0.000 1.255 242 L HN 0.824 nan 8.230 nan 0.000 0.404 243 S N 3.343 118.922 115.700 -0.201 0.000 2.634 243 S HA 0.465 4.964 4.470 0.048 0.000 0.261 243 S C 0.112 174.584 174.600 -0.213 0.000 1.271 243 S CA -0.542 57.420 58.200 -0.396 0.000 0.985 243 S CB 0.551 63.158 63.200 -0.989 0.000 0.968 243 S HN 0.727 nan 8.310 nan 0.000 0.568 244 Q N 0.942 120.631 119.800 -0.185 0.000 2.417 244 Q HA 0.293 4.662 4.340 0.048 0.000 0.241 244 Q C -2.267 173.655 176.000 -0.130 0.000 1.008 244 Q CA -1.537 54.200 55.803 -0.110 0.000 0.901 244 Q CB -0.202 28.492 28.738 -0.073 0.000 1.259 244 Q HN 0.482 nan 8.270 nan 0.000 0.489 245 P HA -0.050 nan 4.420 nan 0.000 0.269 245 P C -0.098 177.157 177.300 -0.074 0.000 1.215 245 P CA 0.500 63.564 63.100 -0.060 0.000 0.780 245 P CB 0.394 32.095 31.700 0.002 0.000 0.898 246 I N -0.727 119.810 120.570 -0.055 0.000 4.312 246 I HA 0.374 4.573 4.170 0.048 0.000 0.324 246 I C 0.420 176.538 176.117 0.002 0.000 1.298 246 I CA 0.138 61.417 61.300 -0.035 0.000 1.231 246 I CB 0.228 38.204 38.000 -0.040 0.000 1.152 246 I HN 0.299 nan 8.210 nan 0.000 0.421 247 E N 0.889 121.099 120.200 0.016 0.000 2.432 247 E HA 0.350 4.729 4.350 0.048 0.000 0.279 247 E C -1.372 175.272 176.600 0.073 0.000 1.099 247 E CA -0.818 55.599 56.400 0.027 0.000 0.859 247 E CB 1.212 30.916 29.700 0.007 0.000 1.402 247 E HN -0.058 nan 8.360 nan 0.000 0.451 248 T N 0.821 115.381 114.554 0.010 0.000 2.829 248 T HA 0.478 4.857 4.350 0.048 0.000 0.282 248 T C -0.391 174.234 174.700 -0.125 0.000 0.990 248 T CA -0.562 61.538 62.100 -0.001 0.000 1.028 248 T CB 1.369 70.189 68.868 -0.081 0.000 0.951 248 T HN 0.313 nan 8.240 nan 0.000 0.460 249 V N 5.323 125.170 119.914 -0.112 0.000 2.483 249 V HA 0.728 4.877 4.120 0.048 0.000 0.295 249 V C 0.087 176.145 176.094 -0.060 0.000 1.035 249 V CA -0.647 61.607 62.300 -0.077 0.000 0.896 249 V CB 1.230 33.016 31.823 -0.061 0.000 0.986 249 V HN 0.943 nan 8.190 nan 0.000 0.447 250 M N 4.603 124.217 119.600 0.023 0.000 2.813 250 M HA 0.671 5.180 4.480 0.048 0.000 0.270 250 M C -2.264 174.112 176.300 0.126 0.000 1.267 250 M CA -0.828 54.498 55.300 0.042 0.000 0.822 250 M CB 2.269 34.863 32.600 -0.010 0.000 1.671 250 M HN 0.309 nan 8.290 nan 0.000 0.468 251 L N 1.806 123.067 121.223 0.063 0.000 2.343 251 L HA 0.814 5.183 4.340 0.048 0.000 0.275 251 L C 0.053 176.999 176.870 0.126 0.000 1.056 251 L CA -0.794 54.044 54.840 -0.002 0.000 0.804 251 L CB 1.660 43.643 42.059 -0.126 0.000 1.203 251 L HN 0.888 nan 8.230 nan 0.000 0.440 252 A N 4.297 127.174 122.820 0.095 0.000 2.292 252 A HA 0.729 5.078 4.320 0.048 0.000 0.319 252 A C -0.623 176.988 177.584 0.044 0.000 1.206 252 A CA -0.511 51.585 52.037 0.098 0.000 0.835 252 A CB 0.514 19.561 19.000 0.079 0.000 1.164 252 A HN 0.639 nan 8.150 nan 0.000 0.505 253 L N 2.420 123.629 121.223 -0.023 0.000 2.295 253 L HA 0.347 4.716 4.340 0.048 0.000 0.285 253 L C 0.213 177.083 176.870 0.001 0.000 1.035 253 L CA -0.917 53.922 54.840 -0.002 0.000 0.806 253 L CB 1.271 43.282 42.059 -0.081 0.000 1.214 253 L HN 0.699 nan 8.230 nan 0.000 0.426 254 N N 1.571 120.271 118.700 0.000 0.000 2.415 254 N HA 0.012 4.781 4.740 0.048 0.000 0.250 254 N C 1.070 176.484 175.510 -0.159 0.000 1.127 254 N CA -0.089 52.860 53.050 -0.167 0.000 0.945 254 N CB 1.145 39.373 38.487 -0.432 0.000 1.196 254 N HN 0.725 nan 8.380 nan 0.000 0.499 255 T N 0.114 114.575 114.554 -0.154 0.000 3.098 255 T HA 0.007 4.386 4.350 0.048 0.000 0.266 255 T C 1.195 175.820 174.700 -0.124 0.000 1.145 255 T CA 0.791 62.813 62.100 -0.131 0.000 1.092 255 T CB 0.068 68.854 68.868 -0.136 0.000 0.908 255 T HN 0.357 nan 8.240 nan 0.000 0.526 256 A N 0.060 122.788 122.820 -0.152 0.000 2.348 256 A HA 0.450 4.799 4.320 0.048 0.000 0.224 256 A C 0.719 178.231 177.584 -0.119 0.000 1.227 256 A CA -0.420 51.539 52.037 -0.130 0.000 0.885 256 A CB 0.094 19.008 19.000 -0.143 0.000 0.933 256 A HN 0.459 nan 8.150 nan 0.000 0.506 257 K N 0.556 120.879 120.400 -0.128 0.000 2.397 257 K HA 0.637 4.986 4.320 0.048 0.000 0.253 257 K C -0.383 176.178 176.600 -0.064 0.000 0.932 257 K CA -0.610 55.613 56.287 -0.106 0.000 0.795 257 K CB 1.724 34.131 32.500 -0.156 0.000 1.159 257 K HN 0.160 nan 8.250 nan 0.000 0.424 258 A N 4.380 127.185 122.820 -0.026 0.000 2.498 258 A HA 0.196 4.545 4.320 0.048 0.000 0.239 258 A C -1.732 175.850 177.584 -0.004 0.000 1.068 258 A CA -0.739 51.309 52.037 0.018 0.000 0.766 258 A CB -0.085 18.952 19.000 0.061 0.000 1.003 258 A HN 0.704 nan 8.150 nan 0.000 0.497 259 P HA 0.035 nan 4.420 nan 0.000 0.267 259 P C 0.880 178.145 177.300 -0.058 0.000 1.289 259 P CA 0.739 63.838 63.100 -0.002 0.000 0.866 259 P CB 0.008 31.601 31.700 -0.179 0.000 1.309 260 T N -2.224 112.283 114.554 -0.078 0.000 3.163 260 T HA -0.086 4.293 4.350 0.048 0.000 0.260 260 T C 1.510 176.170 174.700 -0.066 0.000 1.156 260 T CA 0.465 62.514 62.100 -0.084 0.000 1.072 260 T CB -1.042 67.775 68.868 -0.086 0.000 0.937 260 T HN 0.170 nan 8.240 nan 0.000 0.528 261 N N 1.521 120.195 118.700 -0.043 0.000 2.459 261 N HA -0.092 4.676 4.740 0.048 0.000 0.181 261 N C 0.148 175.653 175.510 -0.009 0.000 1.046 261 N CA 0.346 53.374 53.050 -0.036 0.000 0.904 261 N CB -0.154 38.319 38.487 -0.023 0.000 0.964 261 N HN 0.546 nan 8.380 nan 0.000 0.444 262 E N 0.689 120.900 120.200 0.018 0.000 2.194 262 E HA 0.066 4.445 4.350 0.048 0.000 0.284 262 E C 0.751 177.360 176.600 0.014 0.000 1.035 262 E CA -0.505 55.924 56.400 0.049 0.000 0.836 262 E CB 1.876 31.659 29.700 0.139 0.000 1.070 262 E HN 0.050 nan 8.360 nan 0.000 0.401 263 L N 4.581 125.811 121.223 0.012 0.000 2.013 263 L HA -0.246 4.123 4.340 0.048 0.000 0.212 263 L C 2.049 178.925 176.870 0.011 0.000 1.073 263 L CA 2.529 57.368 54.840 -0.001 0.000 0.753 263 L CB -0.534 41.527 42.059 0.004 0.000 0.890 263 L HN 0.694 nan 8.230 nan 0.000 0.432 264 A N -1.197 121.648 122.820 0.040 0.000 1.940 264 A HA -0.161 4.187 4.320 0.048 0.000 0.219 264 A C 2.269 179.867 177.584 0.023 0.000 1.176 264 A CA 2.052 54.121 52.037 0.054 0.000 0.631 264 A CB -1.137 17.919 19.000 0.093 0.000 0.814 264 A HN 0.351 nan 8.150 nan 0.000 0.446 265 V N 0.001 119.907 119.914 -0.013 0.000 2.295 265 V HA -0.267 3.882 4.120 0.048 0.000 0.246 265 V C 2.638 178.679 176.094 -0.088 0.000 1.049 265 V CA 2.242 64.474 62.300 -0.113 0.000 1.024 265 V CB -0.796 30.904 31.823 -0.205 0.000 0.648 265 V HN 0.543 nan 8.190 nan 0.000 0.447 266 R N -0.137 120.322 120.500 -0.069 0.000 2.096 266 R HA -0.164 4.204 4.340 0.048 0.000 0.235 266 R C 2.275 178.534 176.300 -0.068 0.000 1.127 266 R CA 1.609 57.663 56.100 -0.077 0.000 0.968 266 R CB -0.309 29.941 30.300 -0.084 0.000 0.861 266 R HN 0.630 nan 8.270 nan 0.000 0.440 267 E N 0.685 120.864 120.200 -0.034 0.000 2.077 267 E HA -0.162 4.217 4.350 0.048 0.000 0.193 267 E C 2.081 178.726 176.600 0.076 0.000 0.989 267 E CA 1.177 57.575 56.400 -0.005 0.000 0.800 267 E CB -0.109 29.634 29.700 0.073 0.000 0.746 267 E HN 0.351 nan 8.360 nan 0.000 0.452 268 A N 1.242 124.111 122.820 0.082 0.000 1.902 268 A HA -0.147 4.202 4.320 0.048 0.000 0.217 268 A C 2.200 179.823 177.584 0.064 0.000 1.181 268 A CA 0.999 53.103 52.037 0.111 0.000 0.623 268 A CB -0.629 18.385 19.000 0.024 0.000 0.818 268 A HN 0.128 nan 8.150 nan 0.000 0.443 269 L N -0.212 121.003 121.223 -0.014 0.000 2.083 269 L HA -0.190 4.179 4.340 0.048 0.000 0.209 269 L C 2.125 178.976 176.870 -0.031 0.000 1.083 269 L CA 1.154 55.974 54.840 -0.033 0.000 0.752 269 L CB -0.646 41.371 42.059 -0.069 0.000 0.899 269 L HN 0.445 nan 8.230 nan 0.000 0.433 270 N N -0.802 117.849 118.700 -0.082 0.000 2.453 270 N HA -0.150 4.619 4.740 0.048 0.000 0.183 270 N C 1.261 176.639 175.510 -0.220 0.000 1.041 270 N CA 1.090 54.034 53.050 -0.175 0.000 0.900 270 N CB 0.147 38.462 38.487 -0.286 0.000 0.961 270 N HN 0.383 nan 8.380 nan 0.000 0.443 271 Y N -0.233 120.062 120.300 -0.008 0.000 2.449 271 Y HA 0.296 4.866 4.550 0.033 0.000 0.254 271 Y C 1.922 177.846 175.900 0.040 0.000 1.140 271 Y CA -0.233 57.866 58.100 -0.001 0.000 1.272 271 Y CB 0.244 38.676 38.460 -0.046 0.000 1.114 271 Y HN -0.026 nan 8.280 nan 0.000 0.525 272 A N -0.497 122.434 122.820 0.185 0.000 2.178 272 A HA 0.223 4.572 4.320 0.048 0.000 0.211 272 A C 0.488 178.246 177.584 0.290 0.000 1.157 272 A CA 0.392 52.548 52.037 0.198 0.000 0.780 272 A CB -0.186 18.872 19.000 0.098 0.000 0.828 272 A HN 0.011 nan 8.150 nan 0.000 0.476 273 V N 1.999 122.044 119.914 0.218 0.000 2.347 273 V HA 0.194 4.343 4.120 0.048 0.000 0.280 273 V C -0.293 175.804 176.094 0.005 0.000 1.021 273 V CA -0.943 61.402 62.300 0.075 0.000 0.847 273 V CB 1.208 33.034 31.823 0.005 0.000 0.990 273 V HN 0.459 nan 8.190 nan 0.000 0.444 274 N N 4.617 123.121 118.700 -0.326 0.000 2.448 274 N HA 0.150 4.919 4.740 0.048 0.000 0.250 274 N C 0.991 176.368 175.510 -0.222 0.000 1.136 274 N CA 0.004 52.770 53.050 -0.474 0.000 0.953 274 N CB 0.801 38.741 38.487 -0.912 0.000 1.251 274 N HN 0.592 nan 8.380 nan 0.000 0.502 275 K N 2.492 122.821 120.400 -0.119 0.000 2.148 275 K HA -0.126 4.223 4.320 0.048 0.000 0.204 275 K C 1.594 178.132 176.600 -0.103 0.000 1.050 275 K CA 0.914 57.141 56.287 -0.099 0.000 0.942 275 K CB 0.309 32.758 32.500 -0.084 0.000 0.724 275 K HN 0.424 nan 8.250 nan 0.000 0.446 276 K N 0.919 121.260 120.400 -0.097 0.000 2.057 276 K HA -0.091 4.258 4.320 0.048 0.000 0.206 276 K C 2.023 178.561 176.600 -0.104 0.000 1.050 276 K CA 1.507 57.743 56.287 -0.084 0.000 0.935 276 K CB 0.079 32.542 32.500 -0.061 0.000 0.715 276 K HN -0.050 nan 8.250 nan 0.000 0.439 277 S N 1.403 117.021 115.700 -0.138 0.000 2.368 277 S HA -0.144 4.355 4.470 0.048 0.000 0.225 277 S C 1.785 176.304 174.600 -0.135 0.000 1.030 277 S CA 1.217 59.329 58.200 -0.146 0.000 0.999 277 S CB -0.282 62.806 63.200 -0.187 0.000 0.844 277 S HN 0.374 nan 8.310 nan 0.000 0.459 278 L N 1.239 122.384 121.223 -0.130 0.000 2.012 278 L HA -0.099 4.270 4.340 0.048 0.000 0.210 278 L C 2.035 178.841 176.870 -0.106 0.000 1.073 278 L CA 1.527 56.301 54.840 -0.109 0.000 0.748 278 L CB -0.268 41.737 42.059 -0.091 0.000 0.891 278 L HN 0.278 nan 8.230 nan 0.000 0.431 279 I N -0.118 120.392 120.570 -0.100 0.000 2.315 279 I HA -0.271 3.927 4.170 0.048 0.000 0.248 279 I C 1.783 177.841 176.117 -0.098 0.000 1.117 279 I CA 1.193 62.440 61.300 -0.088 0.000 1.404 279 I CB -0.385 37.569 38.000 -0.077 0.000 1.071 279 I HN 0.302 nan 8.210 nan 0.000 0.419 280 D N 0.154 120.486 120.400 -0.114 0.000 2.269 280 D HA -0.128 4.541 4.640 0.048 0.000 0.208 280 D C 1.843 178.007 176.300 -0.227 0.000 0.963 280 D CA 0.718 54.633 54.000 -0.141 0.000 0.864 280 D CB -0.241 40.490 40.800 -0.115 0.000 0.936 280 D HN 0.283 nan 8.370 nan 0.000 0.505 281 N N 0.433 119.013 118.700 -0.201 0.000 2.245 281 N HA 0.001 4.770 4.740 0.048 0.000 0.185 281 N C 1.485 176.849 175.510 -0.243 0.000 1.036 281 N CA 1.273 54.188 53.050 -0.225 0.000 0.857 281 N CB 0.194 38.589 38.487 -0.154 0.000 1.015 281 N HN 0.042 nan 8.380 nan 0.000 0.436 282 A N 0.349 123.078 122.820 -0.152 0.000 1.997 282 A HA 0.264 4.612 4.320 0.048 0.000 0.212 282 A C 1.776 179.358 177.584 -0.003 0.000 1.178 282 A CA 0.347 52.333 52.037 -0.085 0.000 0.698 282 A CB -0.070 18.878 19.000 -0.087 0.000 0.842 282 A HN 0.298 nan 8.150 nan 0.000 0.458 283 L N -2.763 118.447 121.223 -0.021 0.000 2.857 283 L HA 0.275 4.643 4.340 0.048 0.000 0.249 283 L C -0.173 176.789 176.870 0.152 0.000 1.172 283 L CA -0.359 54.509 54.840 0.046 0.000 0.980 283 L CB -0.175 41.863 42.059 -0.034 0.000 1.299 283 L HN 0.351 nan 8.230 nan 0.000 0.535 284 Y N 0.895 121.164 120.300 -0.051 0.000 3.721 284 Y HA -0.281 4.298 4.550 0.048 0.000 0.218 284 Y C 1.608 177.497 175.900 -0.017 0.000 1.188 284 Y CA 0.887 58.970 58.100 -0.029 0.000 1.607 284 Y CB -1.952 36.500 38.460 -0.014 0.000 1.496 284 Y HN 0.469 nan 8.280 nan 0.000 0.626 285 G N -0.980 107.835 108.800 0.026 0.000 2.168 285 G HA2 -0.365 3.623 3.960 0.048 0.000 0.257 285 G HA3 -0.365 3.623 3.960 0.048 0.000 0.257 285 G C 0.825 175.747 174.900 0.038 0.000 0.997 285 G CA 1.088 46.197 45.100 0.016 0.000 0.708 285 G HN 1.124 nan 8.290 nan 0.000 0.520 286 T N -3.360 111.221 114.554 0.045 0.000 3.107 286 T HA 0.454 4.833 4.350 0.048 0.000 0.249 286 T C 0.784 175.471 174.700 -0.021 0.000 1.096 286 T CA 1.066 63.184 62.100 0.030 0.000 1.012 286 T CB 0.504 69.378 68.868 0.010 0.000 0.977 286 T HN 0.396 nan 8.240 nan 0.000 0.527 287 Q N 0.585 120.369 119.800 -0.028 0.000 2.552 287 Q HA 0.525 4.894 4.340 0.048 0.000 0.289 287 Q C -0.916 175.069 176.000 -0.025 0.000 1.097 287 Q CA -0.709 55.070 55.803 -0.040 0.000 0.812 287 Q CB 1.639 30.337 28.738 -0.067 0.000 1.460 287 Q HN 0.437 nan 8.270 nan 0.000 0.452 288 Q N 0.102 119.896 119.800 -0.010 0.000 2.266 288 Q HA 0.512 4.881 4.340 0.048 0.000 0.261 288 Q C -0.488 175.472 176.000 -0.067 0.000 0.985 288 Q CA -0.834 54.975 55.803 0.009 0.000 0.873 288 Q CB 2.203 31.001 28.738 0.100 0.000 1.306 288 Q HN 0.278 nan 8.270 nan 0.000 0.447 289 V N 1.631 121.503 119.914 -0.070 0.000 2.673 289 V HA 0.149 4.298 4.120 0.048 0.000 0.303 289 V C -0.025 175.895 176.094 -0.289 0.000 1.046 289 V CA 0.191 62.406 62.300 -0.141 0.000 1.126 289 V CB 0.652 32.435 31.823 -0.067 0.000 0.934 289 V HN 0.811 nan 8.190 nan 0.000 0.487 290 A N 3.652 126.168 122.820 -0.507 0.000 2.303 290 A HA 0.597 4.946 4.320 0.048 0.000 0.320 290 A C 0.268 177.681 177.584 -0.285 0.000 1.192 290 A CA -0.545 50.996 52.037 -0.827 0.000 0.821 290 A CB 0.642 18.865 19.000 -1.295 0.000 1.188 290 A HN 0.833 nan 8.150 nan 0.000 0.492 291 D N 1.060 121.421 120.400 -0.065 0.000 2.433 291 D HA 0.099 4.768 4.640 0.048 0.000 0.211 291 D C 0.238 176.611 176.300 0.122 0.000 1.114 291 D CA 1.065 55.080 54.000 0.024 0.000 0.837 291 D CB 0.895 41.731 40.800 0.061 0.000 0.984 291 D HN 0.690 nan 8.370 nan 0.000 0.505 292 T N -1.739 112.904 114.554 0.148 0.000 2.906 292 T HA 0.272 4.651 4.350 0.048 0.000 0.295 292 T C 1.005 175.757 174.700 0.085 0.000 1.061 292 T CA -0.746 61.456 62.100 0.170 0.000 1.000 292 T CB 2.387 71.323 68.868 0.113 0.000 1.103 292 T HN -0.216 nan 8.240 nan 0.000 0.486 293 L N 0.637 121.841 121.223 -0.031 0.000 1.997 293 L HA 0.165 4.534 4.340 0.048 0.000 0.216 293 L C 0.032 176.587 176.870 -0.524 0.000 1.074 293 L CA 1.774 56.382 54.840 -0.388 0.000 0.763 293 L CB -0.772 40.964 42.059 -0.539 0.000 0.890 293 L HN 0.733 nan 8.230 nan 0.000 0.434 294 F N -0.601 119.336 119.950 -0.021 0.000 2.469 294 F HA 0.601 5.155 4.527 0.046 0.000 0.332 294 F C 0.772 176.519 175.800 -0.088 0.000 1.103 294 F CA -0.842 57.114 58.000 -0.074 0.000 0.979 294 F CB 0.786 39.720 39.000 -0.109 0.000 1.137 294 F HN 0.000 nan 8.300 nan 0.000 0.463 295 A N 3.906 126.628 122.820 -0.165 0.000 2.466 295 A HA 0.228 4.577 4.320 0.048 0.000 0.238 295 A C -1.783 175.688 177.584 -0.188 0.000 1.074 295 A CA -1.005 50.709 52.037 -0.537 0.000 0.774 295 A CB -0.148 18.191 19.000 -1.101 0.000 1.015 295 A HN 0.630 nan 8.150 nan 0.000 0.498 296 P HA -0.123 nan 4.420 nan 0.000 0.223 296 P C 1.286 178.528 177.300 -0.098 0.000 1.144 296 P CA 1.734 64.790 63.100 -0.074 0.000 0.783 296 P CB 0.096 31.768 31.700 -0.046 0.000 0.771 297 S N -2.399 113.218 115.700 -0.138 0.000 2.562 297 S HA 0.045 4.544 4.470 0.048 0.000 0.221 297 S C 0.790 175.313 174.600 -0.128 0.000 0.975 297 S CA -0.144 57.983 58.200 -0.122 0.000 0.918 297 S CB -0.979 62.148 63.200 -0.122 0.000 0.772 297 S HN -0.137 nan 8.310 nan 0.000 0.531 298 V N 3.978 123.806 119.914 -0.144 0.000 2.637 298 V HA 0.255 4.404 4.120 0.048 0.000 0.296 298 V C -2.146 173.827 176.094 -0.202 0.000 1.046 298 V CA -1.803 60.392 62.300 -0.175 0.000 1.066 298 V CB 0.400 32.091 31.823 -0.220 0.000 0.968 298 V HN 0.228 nan 8.190 nan 0.000 0.483 299 P HA 0.025 nan 4.420 nan 0.000 0.264 299 P C -0.337 176.784 177.300 -0.298 0.000 1.183 299 P CA 0.544 63.453 63.100 -0.319 0.000 0.763 299 P CB -0.046 31.497 31.700 -0.263 0.000 0.807 300 Y N 0.402 120.587 120.300 -0.191 0.000 4.916 300 Y HA -0.292 4.286 4.550 0.046 0.000 0.247 300 Y C 1.358 177.171 175.900 -0.146 0.000 0.962 300 Y CA 1.119 59.101 58.100 -0.196 0.000 1.933 300 Y CB -2.587 35.602 38.460 -0.451 0.000 1.451 300 Y HN 0.478 nan 8.280 nan 0.000 0.539 301 A N -0.526 122.268 122.820 -0.042 0.000 2.470 301 A HA 0.209 4.558 4.320 0.048 0.000 0.251 301 A C 0.801 178.389 177.584 0.007 0.000 1.245 301 A CA -0.004 52.037 52.037 0.006 0.000 0.932 301 A CB 0.032 19.032 19.000 -0.000 0.000 1.037 301 A HN 0.404 nan 8.150 nan 0.000 0.522 302 N N 1.395 120.086 118.700 -0.015 0.000 2.663 302 N HA 0.283 5.052 4.740 0.048 0.000 0.250 302 N C -0.051 175.462 175.510 0.006 0.000 1.129 302 N CA -0.011 53.031 53.050 -0.014 0.000 0.995 302 N CB 0.268 38.737 38.487 -0.031 0.000 1.324 302 N HN 0.391 nan 8.380 nan 0.000 0.512 303 L N 1.197 122.425 121.223 0.008 0.000 2.858 303 L HA 0.300 4.669 4.340 0.048 0.000 0.251 303 L C 1.336 178.206 176.870 -0.000 0.000 1.149 303 L CA -0.080 54.770 54.840 0.017 0.000 0.955 303 L CB 0.400 42.477 42.059 0.030 0.000 1.289 303 L HN 0.537 nan 8.230 nan 0.000 0.542 304 G N 1.553 110.347 108.800 -0.011 0.000 2.198 304 G HA2 -0.285 3.704 3.960 0.048 0.000 0.260 304 G HA3 -0.285 3.704 3.960 0.048 0.000 0.260 304 G C 0.233 175.112 174.900 -0.034 0.000 1.025 304 G CA -0.052 45.041 45.100 -0.011 0.000 0.769 304 G HN 0.239 nan 8.290 nan 0.000 0.507 305 L N -0.337 120.826 121.223 -0.100 0.000 2.485 305 L HA 0.191 4.560 4.340 0.048 0.000 0.275 305 L C 1.237 178.031 176.870 -0.128 0.000 1.207 305 L CA 0.089 54.794 54.840 -0.225 0.000 0.855 305 L CB 0.584 42.274 42.059 -0.615 0.000 1.114 305 L HN 0.244 nan 8.230 nan 0.000 0.485 306 K N 5.139 125.543 120.400 0.007 0.000 2.349 306 K HA 0.245 4.594 4.320 0.048 0.000 0.289 306 K C -2.255 174.482 176.600 0.228 0.000 1.064 306 K CA -1.506 54.853 56.287 0.120 0.000 0.947 306 K CB 0.733 33.318 32.500 0.141 0.000 1.007 306 K HN 0.210 nan 8.250 nan 0.000 0.478 307 P HA 0.039 nan 4.420 nan 0.000 0.271 307 P C -1.090 176.253 177.300 0.073 0.000 1.218 307 P CA -0.310 62.869 63.100 0.132 0.000 0.780 307 P CB 1.003 32.757 31.700 0.089 0.000 0.901 308 S N 2.328 117.989 115.700 -0.066 0.000 2.473 308 S HA 0.140 4.639 4.470 0.048 0.000 0.312 308 S C 0.270 174.826 174.600 -0.075 0.000 1.087 308 S CA -0.548 57.477 58.200 -0.292 0.000 1.077 308 S CB -0.284 62.363 63.200 -0.922 0.000 1.065 308 S HN 0.330 nan 8.310 nan 0.000 0.510 309 Q N 1.528 121.406 119.800 0.130 0.000 2.421 309 Q HA 0.082 4.451 4.340 0.048 0.000 0.255 309 Q C -0.176 175.971 176.000 0.246 0.000 1.013 309 Q CA -0.261 55.640 55.803 0.164 0.000 0.895 309 Q CB 0.466 29.294 28.738 0.150 0.000 1.271 309 Q HN 0.679 nan 8.270 nan 0.000 0.460 310 Y N 2.189 122.546 120.300 0.095 0.000 2.802 310 Y HA -0.101 4.479 4.550 0.049 0.000 0.333 310 Y C -0.566 175.401 175.900 0.112 0.000 1.244 310 Y CA 0.695 58.853 58.100 0.095 0.000 1.558 310 Y CB 0.260 38.744 38.460 0.041 0.000 1.233 310 Y HN 0.490 nan 8.280 nan 0.000 0.547 311 D N 9.009 129.171 120.400 -0.396 0.000 2.584 311 D HA 0.165 4.834 4.640 0.048 0.000 0.238 311 D C -2.374 173.702 176.300 -0.373 0.000 1.302 311 D CA -1.427 52.330 54.000 -0.405 0.000 0.884 311 D CB 1.161 41.835 40.800 -0.209 0.000 1.456 311 D HN 0.330 nan 8.370 nan 0.000 0.528 312 P HA -0.148 nan 4.420 nan 0.000 0.221 312 P C 1.424 178.629 177.300 -0.159 0.000 1.150 312 P CA 0.741 63.703 63.100 -0.229 0.000 0.800 312 P CB 0.651 32.249 31.700 -0.170 0.000 0.787 313 Q N 0.840 120.530 119.800 -0.184 0.000 2.050 313 Q HA -0.193 4.176 4.340 0.048 0.000 0.202 313 Q C 2.447 178.351 176.000 -0.160 0.000 0.980 313 Q CA 1.807 57.526 55.803 -0.140 0.000 0.840 313 Q CB -0.277 28.381 28.738 -0.132 0.000 0.898 313 Q HN 0.076 nan 8.270 nan 0.000 0.424 314 K N -0.441 119.812 120.400 -0.246 0.000 2.057 314 K HA -0.129 4.220 4.320 0.048 0.000 0.206 314 K C 1.946 178.393 176.600 -0.255 0.000 1.050 314 K CA 1.120 57.205 56.287 -0.336 0.000 0.935 314 K CB -0.242 31.862 32.500 -0.661 0.000 0.715 314 K HN 0.276 nan 8.250 nan 0.000 0.439 315 A N 1.520 124.236 122.820 -0.173 0.000 1.883 315 A HA -0.209 4.139 4.320 0.048 0.000 0.217 315 A C 1.916 179.482 177.584 -0.030 0.000 1.186 315 A CA 1.858 53.879 52.037 -0.027 0.000 0.624 315 A CB -0.420 18.600 19.000 0.034 0.000 0.822 315 A HN 0.328 nan 8.150 nan 0.000 0.444 316 K N -0.468 119.905 120.400 -0.045 0.000 2.057 316 K HA -0.043 4.306 4.320 0.048 0.000 0.207 316 K C 2.300 178.892 176.600 -0.013 0.000 1.049 316 K CA 1.108 57.383 56.287 -0.021 0.000 0.931 316 K CB -0.310 32.175 32.500 -0.025 0.000 0.714 316 K HN 0.448 nan 8.250 nan 0.000 0.440 317 A N 1.341 124.136 122.820 -0.042 0.000 1.930 317 A HA -0.102 4.246 4.320 0.048 0.000 0.217 317 A C 2.111 179.689 177.584 -0.010 0.000 1.175 317 A CA 1.091 53.109 52.037 -0.033 0.000 0.627 317 A CB -0.556 18.407 19.000 -0.062 0.000 0.815 317 A HN 0.142 nan 8.150 nan 0.000 0.443 318 L N -0.595 120.618 121.223 -0.016 0.000 2.012 318 L HA -0.205 4.164 4.340 0.048 0.000 0.210 318 L C 2.582 179.493 176.870 0.067 0.000 1.073 318 L CA 1.232 56.086 54.840 0.022 0.000 0.748 318 L CB -0.502 41.575 42.059 0.032 0.000 0.891 318 L HN 0.390 nan 8.230 nan 0.000 0.431 319 L N -0.946 120.319 121.223 0.070 0.000 2.056 319 L HA -0.181 4.188 4.340 0.048 0.000 0.207 319 L C 2.744 179.734 176.870 0.200 0.000 1.078 319 L CA 1.055 55.981 54.840 0.143 0.000 0.749 319 L CB -0.612 41.492 42.059 0.075 0.000 0.901 319 L HN 0.280 nan 8.230 nan 0.000 0.433 320 E N 0.470 120.736 120.200 0.111 0.000 2.058 320 E HA -0.290 4.089 4.350 0.048 0.000 0.194 320 E C 2.109 178.748 176.600 0.064 0.000 0.997 320 E CA 1.311 57.761 56.400 0.082 0.000 0.801 320 E CB -0.174 29.550 29.700 0.041 0.000 0.746 320 E HN 0.393 nan 8.360 nan 0.000 0.450 321 K N 0.554 120.987 120.400 0.055 0.000 2.147 321 K HA -0.073 4.276 4.320 0.048 0.000 0.205 321 K C 1.730 178.358 176.600 0.047 0.000 1.049 321 K CA 1.111 57.420 56.287 0.037 0.000 0.936 321 K CB -0.010 32.507 32.500 0.029 0.000 0.722 321 K HN 0.036 nan 8.250 nan 0.000 0.446 322 A N -0.105 122.776 122.820 0.101 0.000 2.278 322 A HA 0.222 4.571 4.320 0.048 0.000 0.212 322 A C 1.158 178.747 177.584 0.010 0.000 1.213 322 A CA 0.705 52.814 52.037 0.120 0.000 0.840 322 A CB -0.284 18.878 19.000 0.271 0.000 0.866 322 A HN 0.531 nan 8.150 nan 0.000 0.489 323 G N -2.534 106.252 108.800 -0.023 0.000 2.157 323 G HA2 -0.264 3.725 3.960 0.048 0.000 0.248 323 G HA3 -0.264 3.725 3.960 0.048 0.000 0.248 323 G C -0.218 174.533 174.900 -0.248 0.000 0.979 323 G CA 0.030 45.032 45.100 -0.163 0.000 0.650 323 G HN 0.471 nan 8.290 nan 0.000 0.529 324 W N 2.027 123.322 121.300 -0.009 0.000 2.367 324 W HA 0.573 5.260 4.660 0.044 0.000 0.329 324 W C 0.919 177.433 176.519 -0.008 0.000 1.066 324 W CA 0.154 57.494 57.345 -0.008 0.000 1.435 324 W CB 0.808 30.264 29.460 -0.007 0.000 1.296 324 W HN 0.390 nan 8.180 nan 0.000 0.401 325 T N 0.073 114.718 114.554 0.152 0.000 2.930 325 T HA 0.701 5.080 4.350 0.048 0.000 0.290 325 T C -0.621 174.132 174.700 0.089 0.000 1.052 325 T CA -1.061 61.095 62.100 0.094 0.000 1.017 325 T CB 1.236 70.126 68.868 0.036 0.000 1.137 325 T HN 0.157 nan 8.240 nan 0.000 0.511 326 L N 2.244 123.504 121.223 0.062 0.000 2.281 326 L HA 0.424 4.793 4.340 0.048 0.000 0.285 326 L C -2.031 174.860 176.870 0.035 0.000 1.074 326 L CA -1.970 52.901 54.840 0.052 0.000 0.817 326 L CB 0.511 42.593 42.059 0.040 0.000 1.168 326 L HN 0.534 nan 8.230 nan 0.000 0.434 327 P HA 0.174 nan 4.420 nan 0.000 0.272 327 P C -0.660 176.651 177.300 0.018 0.000 1.230 327 P CA -0.449 62.664 63.100 0.022 0.000 0.788 327 P CB 0.675 32.390 31.700 0.024 0.000 0.949 328 A N 1.144 123.972 122.820 0.012 0.000 2.354 328 A HA 0.535 4.884 4.320 0.048 0.000 0.269 328 A C 0.759 178.349 177.584 0.011 0.000 1.109 328 A CA 0.048 52.092 52.037 0.010 0.000 0.800 328 A CB -0.166 18.838 19.000 0.007 0.000 1.045 328 A HN 0.607 nan 8.150 nan 0.000 0.489 329 G N 2.577 111.383 108.800 0.011 0.000 3.963 329 G HA2 0.481 4.470 3.960 0.048 0.000 0.315 329 G HA3 0.481 4.470 3.960 0.048 0.000 0.315 329 G C -0.195 174.713 174.900 0.013 0.000 1.254 329 G CA -0.391 44.716 45.100 0.011 0.000 1.395 329 G HN 0.440 nan 8.290 nan 0.000 0.538 330 K N 0.397 120.808 120.400 0.017 0.000 2.166 330 K HA 0.424 4.773 4.320 0.048 0.000 0.245 330 K C -0.082 176.531 176.600 0.023 0.000 0.967 330 K CA -1.022 55.277 56.287 0.020 0.000 0.863 330 K CB 2.074 34.589 32.500 0.025 0.000 1.107 330 K HN 0.046 nan 8.250 nan 0.000 0.436 331 D N -0.042 120.371 120.400 0.022 0.000 2.389 331 D HA 0.105 4.774 4.640 0.048 0.000 0.206 331 D C 0.131 176.446 176.300 0.025 0.000 1.055 331 D CA 0.291 54.304 54.000 0.021 0.000 0.856 331 D CB 0.529 41.339 40.800 0.016 0.000 0.957 331 D HN 0.201 nan 8.370 nan 0.000 0.509 332 I N 1.818 122.407 120.570 0.032 0.000 2.321 332 I HA 0.229 4.428 4.170 0.048 0.000 0.291 332 I C 0.838 176.998 176.117 0.070 0.000 0.998 332 I CA -0.705 60.618 61.300 0.038 0.000 1.227 332 I CB 0.992 39.011 38.000 0.032 0.000 1.368 332 I HN -0.336 nan 8.210 nan 0.000 0.466 333 R N 4.312 124.868 120.500 0.093 0.000 2.784 333 R HA 0.265 4.634 4.340 0.048 0.000 0.266 333 R C -0.220 176.244 176.300 0.273 0.000 1.044 333 R CA 0.011 56.217 56.100 0.178 0.000 1.151 333 R CB 0.722 31.161 30.300 0.231 0.000 1.037 333 R HN 0.558 nan 8.270 nan 0.000 0.478 334 E N 0.619 120.981 120.200 0.270 0.000 2.340 334 E HA 0.305 4.684 4.350 0.048 0.000 0.273 334 E C -1.252 175.347 176.600 -0.001 0.000 0.891 334 E CA -0.904 55.619 56.400 0.204 0.000 0.757 334 E CB 2.682 32.433 29.700 0.085 0.000 1.231 334 E HN 0.266 nan 8.360 nan 0.000 0.439 335 K N 2.244 122.473 120.400 -0.286 0.000 2.565 335 K HA 0.216 4.565 4.320 0.048 0.000 0.249 335 K C -0.980 175.385 176.600 -0.391 0.000 0.958 335 K CA -0.446 55.467 56.287 -0.624 0.000 0.806 335 K CB 0.658 32.175 32.500 -1.638 0.000 1.194 335 K HN 0.537 nan 8.250 nan 0.000 0.434 336 N N 2.811 121.359 118.700 -0.253 0.000 2.735 336 N HA -0.196 4.573 4.740 0.048 0.000 0.248 336 N C 0.507 175.961 175.510 -0.094 0.000 1.083 336 N CA 1.540 54.497 53.050 -0.154 0.000 0.703 336 N CB -1.436 36.958 38.487 -0.155 0.000 1.005 336 N HN 1.124 nan 8.380 nan 0.000 0.550 337 G N -1.005 107.751 108.800 -0.074 0.000 2.175 337 G HA2 -0.368 3.621 3.960 0.048 0.000 0.265 337 G HA3 -0.368 3.621 3.960 0.048 0.000 0.265 337 G C -0.088 174.814 174.900 0.002 0.000 0.979 337 G CA 0.879 45.963 45.100 -0.028 0.000 0.663 337 G HN 0.576 nan 8.290 nan 0.000 0.533 338 Q N 0.449 120.252 119.800 0.006 0.000 2.271 338 Q HA 0.439 4.808 4.340 0.048 0.000 0.258 338 Q C -2.506 173.609 176.000 0.193 0.000 0.936 338 Q CA -2.003 53.845 55.803 0.075 0.000 0.909 338 Q CB 2.077 30.859 28.738 0.073 0.000 1.253 338 Q HN 0.178 nan 8.270 nan 0.000 0.440 339 P HA 0.012 nan 4.420 nan 0.000 0.275 339 P C -0.857 176.590 177.300 0.246 0.000 1.228 339 P CA -0.582 62.637 63.100 0.198 0.000 0.786 339 P CB 0.507 32.266 31.700 0.099 0.000 0.927 340 L N 3.777 125.102 121.223 0.170 0.000 2.448 340 L HA 0.195 4.564 4.340 0.048 0.000 0.278 340 L C 0.303 177.091 176.870 -0.136 0.000 1.201 340 L CA 0.485 55.201 54.840 -0.207 0.000 1.036 340 L CB -1.299 40.511 42.059 -0.415 0.000 1.325 340 L HN 0.267 nan 8.230 nan 0.000 0.441 341 R N 4.929 125.376 120.500 -0.088 0.000 2.561 341 R HA 0.701 5.070 4.340 0.048 0.000 0.297 341 R C -1.483 174.778 176.300 -0.065 0.000 0.969 341 R CA -0.666 55.403 56.100 -0.052 0.000 0.879 341 R CB 1.147 31.445 30.300 -0.003 0.000 1.178 341 R HN 0.607 nan 8.270 nan 0.000 0.445 342 I N 2.686 123.220 120.570 -0.060 0.000 2.533 342 I HA 0.275 4.474 4.170 0.048 0.000 0.290 342 I C -0.499 175.607 176.117 -0.018 0.000 1.056 342 I CA -0.737 60.532 61.300 -0.052 0.000 1.057 342 I CB 2.420 40.372 38.000 -0.079 0.000 1.240 342 I HN 0.503 nan 8.210 nan 0.000 0.423 343 E N 4.998 125.200 120.200 0.002 0.000 2.200 343 E HA 0.372 4.751 4.350 0.048 0.000 0.283 343 E C -1.134 175.493 176.600 0.046 0.000 1.015 343 E CA -0.804 55.613 56.400 0.028 0.000 0.819 343 E CB 2.080 31.800 29.700 0.033 0.000 1.081 343 E HN 0.243 nan 8.360 nan 0.000 0.397 344 L N 3.007 124.265 121.223 0.059 0.000 2.277 344 L HA 0.298 4.667 4.340 0.048 0.000 0.284 344 L C -0.799 176.182 176.870 0.185 0.000 1.028 344 L CA -0.136 54.745 54.840 0.068 0.000 0.835 344 L CB 1.260 43.322 42.059 0.005 0.000 1.215 344 L HN 0.263 nan 8.230 nan 0.000 0.425 345 S N 5.879 121.660 115.700 0.135 0.000 2.513 345 S HA 0.771 5.270 4.470 0.048 0.000 0.276 345 S C -0.617 174.129 174.600 0.244 0.000 1.254 345 S CA -0.219 58.041 58.200 0.100 0.000 1.053 345 S CB 0.311 63.550 63.200 0.065 0.000 0.958 345 S HN 0.544 nan 8.310 nan 0.000 0.491 346 F N -0.369 119.634 119.950 0.088 0.000 2.741 346 F HA 0.617 5.173 4.527 0.048 0.000 0.313 346 F C -1.253 174.585 175.800 0.063 0.000 1.153 346 F CA -1.543 56.547 58.000 0.150 0.000 0.931 346 F CB 0.558 39.740 39.000 0.303 0.000 1.335 346 F HN 0.284 nan 8.300 nan 0.000 0.460 347 I N 2.392 123.064 120.570 0.170 0.000 2.494 347 I HA 0.178 4.377 4.170 0.048 0.000 0.289 347 I C 1.440 177.591 176.117 0.056 0.000 1.106 347 I CA 0.390 61.697 61.300 0.012 0.000 1.369 347 I CB 0.816 38.819 38.000 0.004 0.000 1.410 347 I HN 1.014 nan 8.210 nan 0.000 0.523 348 G N 3.842 112.565 108.800 -0.130 0.000 2.443 348 G HA2 -0.206 3.783 3.960 0.048 0.000 0.219 348 G HA3 -0.206 3.783 3.960 0.048 0.000 0.219 348 G C 1.350 176.287 174.900 0.062 0.000 1.131 348 G CA 1.072 46.119 45.100 -0.089 0.000 0.775 348 G HN 0.673 nan 8.290 nan 0.000 0.547 349 T N -2.205 112.363 114.554 0.023 0.000 3.107 349 T HA 0.129 4.508 4.350 0.048 0.000 0.249 349 T C 0.454 175.169 174.700 0.026 0.000 1.096 349 T CA 0.059 62.171 62.100 0.020 0.000 1.012 349 T CB 0.385 69.246 68.868 -0.012 0.000 0.977 349 T HN 0.091 nan 8.240 nan 0.000 0.527 350 D N 1.389 121.823 120.400 0.057 0.000 2.411 350 D HA 0.525 5.194 4.640 0.048 0.000 0.225 350 D C 1.276 177.582 176.300 0.010 0.000 1.156 350 D CA -0.276 53.734 54.000 0.018 0.000 0.874 350 D CB 1.137 41.946 40.800 0.015 0.000 1.034 350 D HN 0.166 nan 8.370 nan 0.000 0.502 351 A N 4.223 127.031 122.820 -0.020 0.000 1.940 351 A HA -0.185 4.164 4.320 0.048 0.000 0.219 351 A C 1.900 179.437 177.584 -0.080 0.000 1.176 351 A CA 0.891 52.910 52.037 -0.031 0.000 0.631 351 A CB -0.420 18.562 19.000 -0.031 0.000 0.814 351 A HN 0.586 nan 8.150 nan 0.000 0.446 352 L N 0.001 121.156 121.223 -0.112 0.000 2.017 352 L HA -0.098 4.271 4.340 0.048 0.000 0.208 352 L C 2.578 179.283 176.870 -0.276 0.000 1.073 352 L CA 2.540 57.280 54.840 -0.166 0.000 0.745 352 L CB -0.837 41.120 42.059 -0.170 0.000 0.894 352 L HN 0.309 nan 8.230 nan 0.000 0.432 353 S N -0.506 115.000 115.700 -0.323 0.000 2.370 353 S HA -0.257 4.242 4.470 0.048 0.000 0.226 353 S C 1.997 176.267 174.600 -0.550 0.000 1.033 353 S CA 1.667 59.535 58.200 -0.553 0.000 1.011 353 S CB -0.349 62.674 63.200 -0.296 0.000 0.852 353 S HN 0.427 nan 8.310 nan 0.000 0.457 354 K N 0.893 121.075 120.400 -0.365 0.000 2.057 354 K HA -0.077 4.271 4.320 0.048 0.000 0.207 354 K C 2.478 178.916 176.600 -0.271 0.000 1.049 354 K CA 1.377 57.426 56.287 -0.398 0.000 0.931 354 K CB -0.321 32.166 32.500 -0.022 0.000 0.714 354 K HN 0.271 nan 8.250 nan 0.000 0.440 355 S N 0.511 116.102 115.700 -0.183 0.000 2.356 355 S HA -0.149 4.350 4.470 0.048 0.000 0.223 355 S C 1.979 176.500 174.600 -0.131 0.000 1.032 355 S CA 1.430 59.554 58.200 -0.127 0.000 1.005 355 S CB -0.121 63.022 63.200 -0.095 0.000 0.867 355 S HN 0.291 nan 8.310 nan 0.000 0.449 356 M N 0.791 120.287 119.600 -0.172 0.000 2.117 356 M HA -0.076 4.433 4.480 0.048 0.000 0.262 356 M C 2.481 178.800 176.300 0.033 0.000 1.065 356 M CA 1.486 56.738 55.300 -0.081 0.000 1.114 356 M CB -0.597 31.906 32.600 -0.161 0.000 1.361 356 M HN 0.497 nan 8.290 nan 0.000 0.408 357 A N 0.273 123.082 122.820 -0.019 0.000 1.883 357 A HA -0.169 4.180 4.320 0.048 0.000 0.217 357 A C 2.001 179.537 177.584 -0.080 0.000 1.186 357 A CA 1.563 53.557 52.037 -0.073 0.000 0.624 357 A CB -0.584 18.116 19.000 -0.500 0.000 0.822 357 A HN 0.407 nan 8.150 nan 0.000 0.444 358 E N -0.062 120.080 120.200 -0.097 0.000 2.085 358 E HA -0.182 4.197 4.350 0.048 0.000 0.194 358 E C 1.978 178.554 176.600 -0.040 0.000 0.994 358 E CA 1.239 57.609 56.400 -0.051 0.000 0.801 358 E CB -0.445 29.227 29.700 -0.046 0.000 0.743 358 E HN 0.748 nan 8.360 nan 0.000 0.453 359 I N 0.700 121.242 120.570 -0.047 0.000 2.179 359 I HA -0.256 3.943 4.170 0.048 0.000 0.242 359 I C 2.460 178.555 176.117 -0.037 0.000 1.088 359 I CA 0.864 62.136 61.300 -0.046 0.000 1.357 359 I CB -0.222 37.743 38.000 -0.057 0.000 1.051 359 I HN 0.021 nan 8.210 nan 0.000 0.409 360 I N 0.253 120.807 120.570 -0.026 0.000 2.208 360 I HA -0.350 3.849 4.170 0.048 0.000 0.245 360 I C 2.711 178.808 176.117 -0.033 0.000 1.097 360 I CA 1.479 62.760 61.300 -0.032 0.000 1.363 360 I CB -0.390 37.583 38.000 -0.045 0.000 1.051 360 I HN 0.356 nan 8.210 nan 0.000 0.413 361 Q N 1.033 120.816 119.800 -0.029 0.000 2.061 361 Q HA -0.262 4.107 4.340 0.048 0.000 0.204 361 Q C 2.337 178.328 176.000 -0.014 0.000 0.984 361 Q CA 2.138 57.930 55.803 -0.019 0.000 0.846 361 Q CB -0.144 28.591 28.738 -0.005 0.000 0.902 361 Q HN 0.546 nan 8.270 nan 0.000 0.421 362 A N 1.111 123.922 122.820 -0.016 0.000 1.883 362 A HA -0.236 4.113 4.320 0.048 0.000 0.217 362 A C 1.705 179.286 177.584 -0.006 0.000 1.186 362 A CA 1.905 53.935 52.037 -0.012 0.000 0.624 362 A CB -0.766 18.223 19.000 -0.019 0.000 0.822 362 A HN 0.508 nan 8.150 nan 0.000 0.444 363 D N -0.441 119.953 120.400 -0.010 0.000 2.123 363 D HA -0.143 4.526 4.640 0.048 0.000 0.196 363 D C 1.961 178.276 176.300 0.024 0.000 0.992 363 D CA 1.489 55.495 54.000 0.011 0.000 0.833 363 D CB -0.360 40.440 40.800 -0.001 0.000 0.954 363 D HN 0.501 nan 8.370 nan 0.000 0.455 364 M N -0.317 119.283 119.600 0.000 0.000 2.319 364 M HA -0.022 4.487 4.480 0.048 0.000 0.265 364 M C 2.188 178.482 176.300 -0.011 0.000 1.068 364 M CA 0.584 55.878 55.300 -0.010 0.000 1.118 364 M CB 0.088 32.668 32.600 -0.034 0.000 1.395 364 M HN -0.124 nan 8.290 nan 0.000 0.435 365 R N 0.297 120.793 120.500 -0.006 0.000 2.120 365 R HA -0.143 4.226 4.340 0.048 0.000 0.234 365 R C 2.041 178.345 176.300 0.007 0.000 1.123 365 R CA 1.212 57.311 56.100 -0.003 0.000 0.975 365 R CB 0.050 30.350 30.300 0.000 0.000 0.866 365 R HN 0.328 nan 8.270 nan 0.000 0.446 366 Q N 0.372 120.183 119.800 0.017 0.000 2.291 366 Q HA -0.135 4.234 4.340 0.048 0.000 0.206 366 Q C 1.768 177.782 176.000 0.024 0.000 0.976 366 Q CA 1.252 57.072 55.803 0.028 0.000 0.875 366 Q CB 0.062 28.830 28.738 0.050 0.000 0.927 366 Q HN 0.611 nan 8.270 nan 0.000 0.450 367 I N -5.022 115.557 120.570 0.016 0.000 3.941 367 I HA 0.439 4.638 4.170 0.048 0.000 0.335 367 I C 0.865 176.978 176.117 -0.006 0.000 1.402 367 I CA 0.407 61.709 61.300 0.005 0.000 1.112 367 I CB 0.428 38.430 38.000 0.004 0.000 1.043 367 I HN 0.044 nan 8.210 nan 0.000 0.395 368 G N 1.309 110.106 108.800 -0.005 0.000 2.132 368 G HA2 -0.123 3.866 3.960 0.048 0.000 0.234 368 G HA3 -0.123 3.866 3.960 0.048 0.000 0.234 368 G C 0.194 175.075 174.900 -0.031 0.000 0.989 368 G CA -0.092 45.007 45.100 -0.003 0.000 0.676 368 G HN 0.953 nan 8.290 nan 0.000 0.522 369 A N -0.051 122.735 122.820 -0.056 0.000 2.292 369 A HA 0.649 4.998 4.320 0.048 0.000 0.319 369 A C -0.291 177.258 177.584 -0.058 0.000 1.206 369 A CA -0.038 51.942 52.037 -0.095 0.000 0.835 369 A CB 1.056 19.980 19.000 -0.127 0.000 1.164 369 A HN 0.341 nan 8.150 nan 0.000 0.505 370 D N 2.563 122.930 120.400 -0.054 0.000 2.396 370 D HA 0.391 5.060 4.640 0.048 0.000 0.225 370 D C -0.724 175.557 176.300 -0.031 0.000 1.121 370 D CA 0.094 54.077 54.000 -0.028 0.000 0.853 370 D CB 0.944 41.738 40.800 -0.010 0.000 1.043 370 D HN 0.139 nan 8.370 nan 0.000 0.500 371 V N 3.655 123.556 119.914 -0.022 0.000 2.406 371 V HA 0.295 4.444 4.120 0.048 0.000 0.272 371 V C 0.498 176.599 176.094 0.012 0.000 1.043 371 V CA -0.666 61.625 62.300 -0.015 0.000 0.915 371 V CB 1.108 32.917 31.823 -0.024 0.000 0.988 371 V HN 0.654 nan 8.190 nan 0.000 0.466 372 S N 6.779 122.491 115.700 0.021 0.000 2.442 372 S HA 0.582 5.081 4.470 0.048 0.000 0.297 372 S C -0.769 173.878 174.600 0.079 0.000 1.131 372 S CA -0.708 57.516 58.200 0.041 0.000 1.092 372 S CB 0.938 64.155 63.200 0.027 0.000 0.998 372 S HN 0.392 nan 8.310 nan 0.000 0.478 373 L N 4.995 126.291 121.223 0.121 0.000 2.278 373 L HA 0.449 4.818 4.340 0.048 0.000 0.287 373 L C -0.302 176.648 176.870 0.134 0.000 1.072 373 L CA -0.255 54.734 54.840 0.249 0.000 0.819 373 L CB 0.736 42.996 42.059 0.334 0.000 1.176 373 L HN 0.672 nan 8.230 nan 0.000 0.435 374 I N 3.796 124.394 120.570 0.047 0.000 2.428 374 I HA 0.318 4.517 4.170 0.048 0.000 0.279 374 I C 0.758 176.579 176.117 -0.494 0.000 1.040 374 I CA -0.378 60.840 61.300 -0.136 0.000 1.171 374 I CB 0.998 38.960 38.000 -0.063 0.000 1.312 374 I HN 0.569 nan 8.210 nan 0.000 0.470 375 G N 5.656 114.079 108.800 -0.628 0.000 2.329 375 G HA2 0.593 4.582 3.960 0.048 0.000 0.309 375 G HA3 0.593 4.582 3.960 0.048 0.000 0.309 375 G C -0.225 174.414 174.900 -0.435 0.000 1.110 375 G CA -0.188 44.341 45.100 -0.952 0.000 0.923 375 G HN 0.566 nan 8.290 nan 0.000 0.430 376 E N 0.524 120.502 120.200 -0.370 0.000 2.423 376 E HA 0.238 4.617 4.350 0.048 0.000 0.269 376 E C -0.267 176.230 176.600 -0.171 0.000 0.948 376 E CA -0.847 55.428 56.400 -0.207 0.000 0.802 376 E CB 2.038 31.642 29.700 -0.159 0.000 1.339 376 E HN 0.739 nan 8.360 nan 0.000 0.445 377 E N 0.760 120.880 120.200 -0.133 0.000 2.408 377 E HA -0.042 4.337 4.350 0.048 0.000 0.259 377 E C 0.587 177.075 176.600 -0.186 0.000 1.110 377 E CA -0.096 56.225 56.400 -0.132 0.000 0.929 377 E CB 0.921 30.561 29.700 -0.102 0.000 0.971 377 E HN 0.664 nan 8.360 nan 0.000 0.438 378 E N 1.872 121.931 120.200 -0.235 0.000 2.065 378 E HA -0.267 4.112 4.350 0.048 0.000 0.201 378 E C 1.742 178.025 176.600 -0.528 0.000 1.016 378 E CA 2.119 58.250 56.400 -0.448 0.000 0.818 378 E CB -0.085 29.360 29.700 -0.424 0.000 0.749 378 E HN 0.588 nan 8.360 nan 0.000 0.453 379 S N -0.060 115.476 115.700 -0.274 0.000 2.370 379 S HA -0.155 4.344 4.470 0.048 0.000 0.226 379 S C 2.114 176.671 174.600 -0.072 0.000 1.033 379 S CA 1.264 59.384 58.200 -0.132 0.000 1.011 379 S CB -0.218 62.948 63.200 -0.058 0.000 0.852 379 S HN 0.268 nan 8.310 nan 0.000 0.457 380 S N 1.190 116.838 115.700 -0.087 0.000 2.383 380 S HA 0.027 4.526 4.470 0.048 0.000 0.227 380 S C 1.756 176.343 174.600 -0.021 0.000 1.026 380 S CA 0.716 58.889 58.200 -0.044 0.000 0.981 380 S CB -0.260 62.906 63.200 -0.057 0.000 0.818 380 S HN 0.341 nan 8.310 nan 0.000 0.472 381 I N 0.714 121.240 120.570 -0.073 0.000 2.252 381 I HA -0.106 4.093 4.170 0.048 0.000 0.245 381 I C 2.030 178.245 176.117 0.162 0.000 1.102 381 I CA 1.303 62.602 61.300 -0.002 0.000 1.385 381 I CB -1.459 36.507 38.000 -0.057 0.000 1.064 381 I HN 0.260 nan 8.210 nan 0.000 0.414 382 Y N 1.392 121.698 120.300 0.011 0.000 2.181 382 Y HA -0.125 4.454 4.550 0.048 0.000 0.288 382 Y C 2.759 178.668 175.900 0.014 0.000 1.146 382 Y CA 0.715 58.824 58.100 0.014 0.000 1.164 382 Y CB -1.452 37.013 38.460 0.008 0.000 0.982 382 Y HN 0.137 nan 8.280 nan 0.000 0.515 383 A N 0.223 123.147 122.820 0.173 0.000 1.933 383 A HA -0.206 4.143 4.320 0.048 0.000 0.218 383 A C 2.410 180.058 177.584 0.107 0.000 1.175 383 A CA 1.582 53.679 52.037 0.100 0.000 0.628 383 A CB -0.578 18.458 19.000 0.060 0.000 0.814 383 A HN 0.390 nan 8.150 nan 0.000 0.444 384 R N -0.628 119.947 120.500 0.125 0.000 2.081 384 R HA -0.144 4.225 4.340 0.048 0.000 0.235 384 R C 2.481 178.948 176.300 0.279 0.000 1.131 384 R CA 1.706 57.913 56.100 0.177 0.000 0.960 384 R CB -0.332 30.069 30.300 0.168 0.000 0.856 384 R HN 0.691 nan 8.270 nan 0.000 0.436 385 Q N -0.109 119.806 119.800 0.191 0.000 2.119 385 Q HA -0.146 4.223 4.340 0.048 0.000 0.201 385 Q C 2.181 178.303 176.000 0.203 0.000 0.972 385 Q CA 1.082 56.975 55.803 0.150 0.000 0.847 385 Q CB -0.127 28.619 28.738 0.012 0.000 0.903 385 Q HN 0.261 nan 8.270 nan 0.000 0.433 386 R N 0.686 121.257 120.500 0.118 0.000 2.092 386 R HA -0.134 4.235 4.340 0.048 0.000 0.231 386 R C 0.495 176.833 176.300 0.063 0.000 1.119 386 R CA 1.519 57.641 56.100 0.036 0.000 0.970 386 R CB 0.270 30.555 30.300 -0.025 0.000 0.864 386 R HN 0.208 nan 8.270 nan 0.000 0.440 387 D N -1.644 118.814 120.400 0.097 0.000 2.398 387 D HA 0.146 4.815 4.640 0.048 0.000 0.210 387 D C 0.696 177.032 176.300 0.059 0.000 1.094 387 D CA 0.781 54.819 54.000 0.064 0.000 0.839 387 D CB 1.063 41.887 40.800 0.041 0.000 0.963 387 D HN 0.441 nan 8.370 nan 0.000 0.506 388 G N 2.062 110.934 108.800 0.119 0.000 2.160 388 G HA2 -0.349 3.640 3.960 0.048 0.000 0.251 388 G HA3 -0.349 3.640 3.960 0.048 0.000 0.251 388 G C 0.403 175.141 174.900 -0.269 0.000 1.008 388 G CA -0.357 44.664 45.100 -0.131 0.000 0.724 388 G HN 0.301 nan 8.290 nan 0.000 0.514 389 R N -0.037 120.468 120.500 0.008 0.000 4.138 389 R HA 0.483 4.852 4.340 0.048 0.000 0.206 389 R C -0.012 176.370 176.300 0.137 0.000 1.667 389 R CA 0.369 56.477 56.100 0.014 0.000 1.481 389 R CB -0.535 29.795 30.300 0.051 0.000 1.388 389 R HN 0.606 nan 8.270 nan 0.000 0.776 390 F N -4.431 115.510 119.950 -0.014 0.000 2.693 390 F HA 0.559 5.114 4.527 0.046 0.000 0.309 390 F C 0.504 176.283 175.800 -0.035 0.000 1.129 390 F CA -1.293 56.694 58.000 -0.021 0.000 0.948 390 F CB 0.625 39.616 39.000 -0.016 0.000 1.315 390 F HN -0.023 nan 8.300 nan 0.000 0.447 391 G N 0.817 109.722 108.800 0.174 0.000 2.524 391 G HA2 0.356 4.345 3.960 0.048 0.000 0.210 391 G HA3 0.356 4.345 3.960 0.048 0.000 0.210 391 G C -0.106 174.913 174.900 0.198 0.000 1.187 391 G CA -0.024 45.121 45.100 0.075 0.000 0.825 391 G HN 0.492 nan 8.290 nan 0.000 0.558 392 M N 0.586 120.302 119.600 0.194 0.000 2.518 392 M HA 0.569 5.078 4.480 0.048 0.000 0.300 392 M C -1.285 174.994 176.300 -0.036 0.000 1.175 392 M CA -0.703 54.651 55.300 0.090 0.000 0.890 392 M CB 2.883 35.445 32.600 -0.063 0.000 1.710 392 M HN 0.232 nan 8.290 nan 0.000 0.453 393 I N -2.114 118.324 120.570 -0.221 0.000 2.865 393 I HA 0.641 4.840 4.170 0.048 0.000 0.302 393 I C -1.187 174.787 176.117 -0.239 0.000 1.140 393 I CA -0.936 60.191 61.300 -0.287 0.000 1.021 393 I CB 1.824 39.513 38.000 -0.519 0.000 1.233 393 I HN 0.466 nan 8.210 nan 0.000 0.427 394 F N 2.290 122.249 119.950 0.014 0.000 2.459 394 F HA 0.437 4.993 4.527 0.049 0.000 0.346 394 F C 0.363 176.238 175.800 0.124 0.000 1.128 394 F CA 0.798 58.828 58.000 0.051 0.000 1.268 394 F CB 0.398 39.425 39.000 0.045 0.000 1.161 394 F HN 0.572 nan 8.300 nan 0.000 0.583 395 H N 1.548 120.737 119.070 0.198 0.000 3.042 395 H HA 0.637 5.221 4.556 0.047 0.000 0.346 395 H C -1.354 174.026 175.328 0.088 0.000 1.294 395 H CA -1.320 54.807 56.048 0.131 0.000 1.141 395 H CB 1.407 31.241 29.762 0.120 0.000 1.872 395 H HN 0.608 nan 8.280 nan 0.000 0.541 396 R N 0.411 120.713 120.500 -0.330 0.000 2.808 396 R HA 0.525 4.894 4.340 0.048 0.000 0.272 396 R C -0.345 175.660 176.300 -0.491 0.000 0.995 396 R CA -0.760 55.171 56.100 -0.281 0.000 0.917 396 R CB 1.711 31.954 30.300 -0.095 0.000 1.217 396 R HN 0.756 nan 8.270 nan 0.000 0.471 397 T N -2.621 111.594 114.554 -0.566 0.000 2.771 397 T HA 0.221 4.600 4.350 0.048 0.000 0.290 397 T C 0.070 174.683 174.700 -0.144 0.000 1.005 397 T CA -0.359 61.218 62.100 -0.871 0.000 0.944 397 T CB 0.625 68.916 68.868 -0.962 0.000 1.147 397 T HN 0.610 nan 8.240 nan 0.000 0.534 398 W N 0.208 121.382 121.300 -0.209 0.000 2.998 398 W HA 0.509 5.200 4.660 0.053 0.000 0.336 398 W C 1.303 177.820 176.519 -0.004 0.000 1.112 398 W CA 0.040 57.298 57.345 -0.144 0.000 1.682 398 W CB -1.276 28.044 29.460 -0.233 0.000 1.065 398 W HN 1.391 nan 8.180 nan 0.000 0.570 399 G N 1.113 110.055 108.800 0.237 0.000 2.828 399 G HA2 0.102 4.091 3.960 0.048 0.000 0.463 399 G HA3 0.102 4.091 3.960 0.048 0.000 0.463 399 G C -0.068 174.986 174.900 0.256 0.000 1.394 399 G CA -0.616 44.604 45.100 0.200 0.000 0.862 399 G HN 0.439 nan 8.290 nan 0.000 0.540 400 A N 0.522 123.437 122.820 0.159 0.000 2.407 400 A HA 0.710 5.059 4.320 0.048 0.000 0.248 400 A C -0.528 177.012 177.584 -0.073 0.000 1.082 400 A CA -0.168 51.908 52.037 0.066 0.000 0.785 400 A CB 0.642 19.733 19.000 0.152 0.000 1.020 400 A HN 0.769 nan 8.150 nan 0.000 0.489 401 P HA 0.094 nan 4.420 nan 0.000 0.261 401 P C 0.183 177.389 177.300 -0.156 0.000 1.352 401 P CA 0.452 63.258 63.100 -0.490 0.000 0.891 401 P CB -0.097 30.978 31.700 -1.041 0.000 1.383 402 Y N 0.178 120.500 120.300 0.037 0.000 2.242 402 Y HA -0.069 4.510 4.550 0.047 0.000 0.291 402 Y C 0.933 176.858 175.900 0.041 0.000 1.137 402 Y CA 0.766 58.942 58.100 0.126 0.000 1.181 402 Y CB -0.767 37.946 38.460 0.421 0.000 0.989 402 Y HN -0.047 nan 8.280 nan 0.000 0.527 403 D N 0.990 121.497 120.400 0.177 0.000 2.277 403 D HA 0.107 4.776 4.640 0.048 0.000 0.249 403 D C -1.609 174.542 176.300 -0.248 0.000 1.134 403 D CA -1.863 52.086 54.000 -0.085 0.000 0.863 403 D CB 1.251 42.010 40.800 -0.068 0.000 1.143 403 D HN 0.115 nan 8.370 nan 0.000 0.458 404 P HA -0.037 nan 4.420 nan 0.000 0.252 404 P C 1.199 178.494 177.300 -0.008 0.000 1.211 404 P CA 0.485 63.237 63.100 -0.581 0.000 0.824 404 P CB 0.242 31.417 31.700 -0.875 0.000 1.077 405 H N 0.748 119.875 119.070 0.096 0.000 2.357 405 H HA 0.075 4.659 4.556 0.048 0.000 0.301 405 H C 1.515 177.007 175.328 0.273 0.000 1.082 405 H CA 1.668 57.867 56.048 0.252 0.000 1.342 405 H CB -0.749 29.126 29.762 0.188 0.000 1.389 405 H HN 0.008 nan 8.280 nan 0.000 0.511 406 A N 0.856 123.267 122.820 -0.682 0.000 1.930 406 A HA -0.032 4.317 4.320 0.048 0.000 0.215 406 A C 2.379 180.080 177.584 0.195 0.000 1.176 406 A CA 0.693 52.667 52.037 -0.105 0.000 0.632 406 A CB -1.150 17.965 19.000 0.192 0.000 0.819 406 A HN 0.417 nan 8.150 nan 0.000 0.445 407 F N 0.710 120.606 119.950 -0.089 0.000 2.134 407 F HA -0.154 4.401 4.527 0.046 0.000 0.299 407 F C 1.968 177.679 175.800 -0.148 0.000 1.097 407 F CA 1.641 59.363 58.000 -0.464 0.000 1.264 407 F CB -0.055 38.717 39.000 -0.379 0.000 1.001 407 F HN 0.122 nan 8.300 nan 0.000 0.479 408 L N -1.139 120.193 121.223 0.182 0.000 2.056 408 L HA -0.217 4.152 4.340 0.048 0.000 0.207 408 L C 2.715 179.654 176.870 0.116 0.000 1.078 408 L CA 1.505 56.459 54.840 0.189 0.000 0.749 408 L CB -1.134 41.130 42.059 0.341 0.000 0.901 408 L HN 0.184 nan 8.230 nan 0.000 0.433 409 S N -0.628 115.167 115.700 0.158 0.000 2.374 409 S HA -0.252 4.247 4.470 0.048 0.000 0.227 409 S C 2.214 176.901 174.600 0.144 0.000 1.037 409 S CA 1.999 60.306 58.200 0.179 0.000 1.024 409 S CB -0.191 63.154 63.200 0.242 0.000 0.861 409 S HN 0.369 nan 8.310 nan 0.000 0.456 410 S N 0.040 115.803 115.700 0.105 0.000 2.474 410 S HA 0.104 4.603 4.470 0.048 0.000 0.235 410 S C 1.663 176.281 174.600 0.030 0.000 0.997 410 S CA 0.778 59.038 58.200 0.100 0.000 0.949 410 S CB -0.397 62.867 63.200 0.108 0.000 0.766 410 S HN 0.602 nan 8.310 nan 0.000 0.517 411 M N 0.249 119.840 119.600 -0.015 0.000 2.460 411 M HA 0.019 4.528 4.480 0.048 0.000 0.263 411 M C 1.887 178.335 176.300 0.245 0.000 1.071 411 M CA 0.957 56.298 55.300 0.070 0.000 1.096 411 M CB -0.139 32.495 32.600 0.057 0.000 1.408 411 M HN 0.184 nan 8.290 nan 0.000 0.463 412 R N -0.265 120.363 120.500 0.213 0.000 2.275 412 R HA 0.109 4.478 4.340 0.048 0.000 0.199 412 R C 0.196 176.584 176.300 0.147 0.000 0.989 412 R CA 0.154 56.403 56.100 0.248 0.000 1.016 412 R CB -0.009 30.388 30.300 0.162 0.000 0.918 412 R HN 0.129 nan 8.270 nan 0.000 0.473 413 V N 3.363 123.357 119.914 0.133 0.000 2.405 413 V HA 0.072 4.221 4.120 0.048 0.000 0.264 413 V C -1.608 174.387 176.094 -0.166 0.000 1.048 413 V CA -1.064 61.263 62.300 0.046 0.000 0.966 413 V CB 1.251 33.242 31.823 0.280 0.000 1.015 413 V HN -0.017 nan 8.190 nan 0.000 0.477 414 P HA -0.084 nan 4.420 nan 0.000 0.220 414 P C 1.146 178.245 177.300 -0.334 0.000 1.148 414 P CA 0.962 63.428 63.100 -1.057 0.000 0.803 414 P CB 0.148 31.261 31.700 -0.979 0.000 0.782 415 S N -2.028 113.524 115.700 -0.246 0.000 2.667 415 S HA 0.148 4.647 4.470 0.048 0.000 0.251 415 S C -0.012 174.368 174.600 -0.367 0.000 1.075 415 S CA -0.388 57.665 58.200 -0.246 0.000 1.130 415 S CB -1.224 61.801 63.200 -0.292 0.000 0.795 415 S HN 0.221 nan 8.310 nan 0.000 0.462 416 H N -1.375 117.724 119.070 0.048 0.000 2.928 416 H HA 0.667 5.252 4.556 0.048 0.000 0.371 416 H C 1.127 176.528 175.328 0.122 0.000 1.186 416 H CA -0.478 55.613 56.048 0.072 0.000 1.134 416 H CB 1.463 31.270 29.762 0.076 0.000 1.824 416 H HN 0.130 nan 8.280 nan 0.000 0.554 417 A N 0.709 123.646 122.820 0.195 0.000 1.917 417 A HA -0.227 4.122 4.320 0.048 0.000 0.219 417 A C 1.567 179.221 177.584 0.117 0.000 1.182 417 A CA 2.266 54.338 52.037 0.058 0.000 0.633 417 A CB -0.411 18.371 19.000 -0.364 0.000 0.819 417 A HN 0.821 nan 8.150 nan 0.000 0.448 418 D N -1.427 119.037 120.400 0.107 0.000 2.117 418 D HA -0.118 4.551 4.640 0.048 0.000 0.198 418 D C 1.726 178.122 176.300 0.160 0.000 0.982 418 D CA 1.387 55.479 54.000 0.153 0.000 0.828 418 D CB -0.340 40.515 40.800 0.091 0.000 0.967 418 D HN 0.502 nan 8.370 nan 0.000 0.464 419 F N 2.299 122.293 119.950 0.073 0.000 2.095 419 F HA -0.222 4.337 4.527 0.052 0.000 0.298 419 F C 2.468 178.296 175.800 0.047 0.000 1.104 419 F CA 1.412 59.448 58.000 0.060 0.000 1.232 419 F CB -0.091 38.950 39.000 0.068 0.000 0.987 419 F HN -0.201 nan 8.300 nan 0.000 0.475 420 Q N 0.517 120.510 119.800 0.321 0.000 2.096 420 Q HA -0.174 4.195 4.340 0.048 0.000 0.204 420 Q C 2.507 178.501 176.000 -0.011 0.000 0.982 420 Q CA 1.620 57.531 55.803 0.180 0.000 0.850 420 Q CB -1.121 27.774 28.738 0.262 0.000 0.901 420 Q HN 0.565 nan 8.270 nan 0.000 0.422 421 A N 0.711 123.600 122.820 0.115 0.000 1.969 421 A HA -0.170 4.179 4.320 0.048 0.000 0.218 421 A C 1.851 179.344 177.584 -0.151 0.000 1.169 421 A CA 1.208 53.258 52.037 0.021 0.000 0.635 421 A CB -0.253 18.796 19.000 0.080 0.000 0.810 421 A HN 0.387 nan 8.150 nan 0.000 0.445 422 Q N -1.089 118.592 119.800 -0.198 0.000 2.360 422 Q HA 0.014 4.383 4.340 0.048 0.000 0.202 422 Q C 1.885 177.688 176.000 -0.328 0.000 0.915 422 Q CA 0.088 55.743 55.803 -0.247 0.000 0.943 422 Q CB 0.132 28.743 28.738 -0.211 0.000 1.064 422 Q HN 0.630 nan 8.270 nan 0.000 0.511 423 Q N 0.469 120.030 119.800 -0.398 0.000 2.170 423 Q HA -0.117 4.252 4.340 0.048 0.000 0.203 423 Q C 1.644 177.498 176.000 -0.243 0.000 0.976 423 Q CA 1.602 57.137 55.803 -0.446 0.000 0.858 423 Q CB -0.094 28.442 28.738 -0.337 0.000 0.907 423 Q HN 0.478 nan 8.270 nan 0.000 0.433 424 G N 0.149 108.838 108.800 -0.185 0.000 2.848 424 G HA2 0.076 4.065 3.960 0.048 0.000 0.208 424 G HA3 0.076 4.065 3.960 0.048 0.000 0.208 424 G C 0.538 175.376 174.900 -0.103 0.000 1.152 424 G CA -0.296 44.729 45.100 -0.124 0.000 0.789 424 G HN 0.197 nan 8.290 nan 0.000 0.531 425 L N 0.902 122.054 121.223 -0.119 0.000 2.367 425 L HA 0.301 4.670 4.340 0.048 0.000 0.275 425 L C 1.944 178.776 176.870 -0.062 0.000 1.129 425 L CA -0.510 54.280 54.840 -0.084 0.000 0.839 425 L CB 1.309 43.317 42.059 -0.084 0.000 1.133 425 L HN 0.117 nan 8.230 nan 0.000 0.453 426 A N 2.501 125.297 122.820 -0.039 0.000 1.978 426 A HA -0.197 4.152 4.320 0.048 0.000 0.220 426 A C 1.487 179.060 177.584 -0.017 0.000 1.170 426 A CA 1.803 53.826 52.037 -0.024 0.000 0.636 426 A CB -0.435 18.557 19.000 -0.013 0.000 0.810 426 A HN 0.918 nan 8.150 nan 0.000 0.448 427 D N -1.168 119.222 120.400 -0.016 0.000 2.336 427 D HA 0.046 4.715 4.640 0.048 0.000 0.228 427 D C 1.182 177.477 176.300 -0.008 0.000 1.120 427 D CA 0.383 54.381 54.000 -0.004 0.000 0.839 427 D CB 0.068 40.873 40.800 0.009 0.000 0.932 427 D HN 0.252 nan 8.370 nan 0.000 0.509 428 K N 1.528 121.908 120.400 -0.034 0.000 2.032 428 K HA -0.073 4.276 4.320 0.048 0.000 0.209 428 K C -0.852 175.745 176.600 -0.005 0.000 1.048 428 K CA 1.281 57.537 56.287 -0.051 0.000 0.927 428 K CB -1.232 31.186 32.500 -0.137 0.000 0.712 428 K HN 0.137 nan 8.250 nan 0.000 0.441 429 P HA -0.131 nan 4.420 nan 0.000 0.216 429 P C 1.264 178.587 177.300 0.038 0.000 1.150 429 P CA 0.849 63.972 63.100 0.038 0.000 0.837 429 P CB -0.022 31.698 31.700 0.033 0.000 0.786 430 L N -0.612 120.627 121.223 0.028 0.000 2.017 430 L HA -0.125 4.244 4.340 0.048 0.000 0.208 430 L C 2.202 179.094 176.870 0.037 0.000 1.073 430 L CA 1.694 56.552 54.840 0.030 0.000 0.745 430 L CB -1.296 40.778 42.059 0.025 0.000 0.894 430 L HN -0.133 nan 8.230 nan 0.000 0.432 431 I N -0.250 120.344 120.570 0.040 0.000 2.163 431 I HA -0.331 3.868 4.170 0.048 0.000 0.243 431 I C 2.025 178.182 176.117 0.067 0.000 1.085 431 I CA 1.641 62.975 61.300 0.056 0.000 1.347 431 I CB -0.505 37.529 38.000 0.055 0.000 1.044 431 I HN 0.296 nan 8.210 nan 0.000 0.408 432 D N 0.509 120.952 120.400 0.072 0.000 2.144 432 D HA -0.180 4.489 4.640 0.048 0.000 0.200 432 D C 2.076 178.421 176.300 0.074 0.000 0.978 432 D CA 0.972 55.028 54.000 0.094 0.000 0.833 432 D CB -0.192 40.684 40.800 0.126 0.000 0.961 432 D HN 0.260 nan 8.370 nan 0.000 0.470 433 K N 0.919 121.353 120.400 0.057 0.000 2.026 433 K HA -0.156 4.193 4.320 0.048 0.000 0.208 433 K C 1.751 178.368 176.600 0.029 0.000 1.048 433 K CA 1.176 57.488 56.287 0.041 0.000 0.929 433 K CB 0.089 32.608 32.500 0.033 0.000 0.713 433 K HN 0.108 nan 8.250 nan 0.000 0.439 434 E N 0.408 120.623 120.200 0.026 0.000 2.106 434 E HA -0.154 4.225 4.350 0.048 0.000 0.192 434 E C 2.088 178.682 176.600 -0.011 0.000 0.984 434 E CA 1.082 57.483 56.400 0.003 0.000 0.806 434 E CB -0.067 29.639 29.700 0.009 0.000 0.750 434 E HN 0.369 nan 8.360 nan 0.000 0.458 435 I N 0.885 121.473 120.570 0.030 0.000 2.179 435 I HA -0.193 4.006 4.170 0.048 0.000 0.242 435 I C 2.576 178.722 176.117 0.047 0.000 1.088 435 I CA 1.210 62.538 61.300 0.047 0.000 1.357 435 I CB -0.544 37.518 38.000 0.103 0.000 1.051 435 I HN 0.156 nan 8.210 nan 0.000 0.409 436 G N 0.308 109.141 108.800 0.056 0.000 2.440 436 G HA2 -0.240 3.749 3.960 0.048 0.000 0.218 436 G HA3 -0.240 3.749 3.960 0.048 0.000 0.218 436 G C 1.527 176.447 174.900 0.034 0.000 1.154 436 G CA 0.681 45.819 45.100 0.063 0.000 0.767 436 G HN 0.416 nan 8.290 nan 0.000 0.552 437 E N -0.416 119.783 120.200 -0.002 0.000 2.110 437 E HA -0.064 4.315 4.350 0.048 0.000 0.193 437 E C 2.557 179.110 176.600 -0.077 0.000 0.988 437 E CA 0.782 57.161 56.400 -0.036 0.000 0.804 437 E CB -0.190 29.486 29.700 -0.041 0.000 0.745 437 E HN 0.260 nan 8.360 nan 0.000 0.458 438 V N 0.962 120.801 119.914 -0.125 0.000 2.515 438 V HA -0.179 3.970 4.120 0.048 0.000 0.250 438 V C 1.824 177.867 176.094 -0.085 0.000 1.058 438 V CA 1.120 63.266 62.300 -0.256 0.000 1.064 438 V CB -0.064 31.409 31.823 -0.583 0.000 0.675 438 V HN 0.202 nan 8.190 nan 0.000 0.461 439 L N 0.080 121.311 121.223 0.013 0.000 2.217 439 L HA 0.146 4.515 4.340 0.048 0.000 0.211 439 L C 2.295 179.188 176.870 0.039 0.000 1.107 439 L CA 2.042 56.907 54.840 0.043 0.000 0.783 439 L CB -1.207 40.937 42.059 0.141 0.000 0.919 439 L HN 0.406 nan 8.230 nan 0.000 0.442 440 A N -2.568 120.277 122.820 0.043 0.000 2.343 440 A HA 0.122 4.471 4.320 0.048 0.000 0.223 440 A C 1.233 178.740 177.584 -0.129 0.000 1.214 440 A CA 0.109 52.150 52.037 0.007 0.000 0.900 440 A CB -0.188 18.821 19.000 0.014 0.000 0.942 440 A HN 0.247 nan 8.150 nan 0.000 0.507 441 T N 0.085 114.554 114.554 -0.141 0.000 2.907 441 T HA 0.325 4.703 4.350 0.048 0.000 0.298 441 T C 1.072 175.652 174.700 -0.200 0.000 1.017 441 T CA 0.039 61.983 62.100 -0.259 0.000 1.118 441 T CB 0.362 69.129 68.868 -0.167 0.000 0.948 441 T HN 0.588 nan 8.240 nan 0.000 0.531 442 H N 1.432 120.494 119.070 -0.013 0.000 2.595 442 H HA 0.332 4.916 4.556 0.048 0.000 0.265 442 H C 0.548 175.860 175.328 -0.026 0.000 0.953 442 H CA -0.390 55.652 56.048 -0.010 0.000 1.197 442 H CB -0.129 29.641 29.762 0.013 0.000 1.438 442 H HN 0.408 nan 8.280 nan 0.000 0.531 443 D N 2.230 122.764 120.400 0.223 0.000 2.344 443 D HA -0.028 4.641 4.640 0.048 0.000 0.253 443 D C 0.650 176.963 176.300 0.021 0.000 1.255 443 D CA 0.016 54.081 54.000 0.109 0.000 0.894 443 D CB 0.804 41.669 40.800 0.110 0.000 1.067 443 D HN 0.278 nan 8.370 nan 0.000 0.492 444 E N 2.070 122.282 120.200 0.020 0.000 2.110 444 E HA -0.122 4.257 4.350 0.048 0.000 0.193 444 E C 1.565 178.182 176.600 0.028 0.000 0.988 444 E CA 1.098 57.504 56.400 0.011 0.000 0.804 444 E CB 0.030 29.756 29.700 0.044 0.000 0.745 444 E HN 0.537 nan 8.360 nan 0.000 0.458 445 T N 1.365 115.938 114.554 0.032 0.000 2.708 445 T HA -0.198 4.181 4.350 0.048 0.000 0.266 445 T C 1.942 176.654 174.700 0.021 0.000 1.037 445 T CA 1.646 63.768 62.100 0.036 0.000 1.146 445 T CB -0.177 68.711 68.868 0.032 0.000 0.865 445 T HN 0.063 nan 8.240 nan 0.000 0.435 446 Q N 1.235 121.037 119.800 0.002 0.000 2.084 446 Q HA -0.014 4.355 4.340 0.048 0.000 0.202 446 Q C 2.298 178.256 176.000 -0.071 0.000 0.978 446 Q CA 1.479 57.270 55.803 -0.021 0.000 0.844 446 Q CB -0.246 28.483 28.738 -0.016 0.000 0.898 446 Q HN 0.402 nan 8.270 nan 0.000 0.426 447 R N -0.409 120.024 120.500 -0.112 0.000 2.073 447 R HA -0.183 4.186 4.340 0.048 0.000 0.234 447 R C 2.244 178.443 176.300 -0.168 0.000 1.134 447 R CA 1.974 57.928 56.100 -0.243 0.000 0.952 447 R CB -0.123 29.976 30.300 -0.335 0.000 0.850 447 R HN 0.446 nan 8.270 nan 0.000 0.433 448 Q N -0.504 119.300 119.800 0.005 0.000 2.084 448 Q HA -0.138 4.231 4.340 0.048 0.000 0.202 448 Q C 2.112 178.184 176.000 0.121 0.000 0.978 448 Q CA 1.679 57.579 55.803 0.163 0.000 0.844 448 Q CB -0.124 28.738 28.738 0.207 0.000 0.898 448 Q HN 0.427 nan 8.270 nan 0.000 0.426 449 A N 0.721 123.573 122.820 0.054 0.000 1.933 449 A HA -0.147 4.202 4.320 0.048 0.000 0.218 449 A C 2.054 179.657 177.584 0.032 0.000 1.175 449 A CA 1.044 53.109 52.037 0.046 0.000 0.628 449 A CB -0.574 18.442 19.000 0.027 0.000 0.814 449 A HN 0.269 nan 8.150 nan 0.000 0.444 450 L N -2.269 118.936 121.223 -0.030 0.000 2.027 450 L HA -0.183 4.186 4.340 0.048 0.000 0.206 450 L C 2.577 179.430 176.870 -0.028 0.000 1.074 450 L CA 1.516 56.313 54.840 -0.072 0.000 0.745 450 L CB -0.671 41.280 42.059 -0.181 0.000 0.898 450 L HN 0.496 nan 8.230 nan 0.000 0.433 451 Y N -0.246 120.047 120.300 -0.011 0.000 2.165 451 Y HA -0.338 4.240 4.550 0.045 0.000 0.286 451 Y C 2.942 178.889 175.900 0.077 0.000 1.155 451 Y CA 1.330 59.447 58.100 0.028 0.000 1.164 451 Y CB -0.182 38.269 38.460 -0.015 0.000 0.978 451 Y HN 0.108 nan 8.280 nan 0.000 0.513 452 R N 0.583 121.221 120.500 0.230 0.000 2.083 452 R HA -0.240 4.129 4.340 0.048 0.000 0.237 452 R C 1.786 178.169 176.300 0.137 0.000 1.137 452 R CA 2.339 58.536 56.100 0.162 0.000 0.951 452 R CB -0.481 29.891 30.300 0.120 0.000 0.851 452 R HN 0.323 nan 8.270 nan 0.000 0.434 453 D N -0.273 120.194 120.400 0.111 0.000 2.117 453 D HA -0.112 4.557 4.640 0.048 0.000 0.198 453 D C 1.926 178.294 176.300 0.114 0.000 0.982 453 D CA 1.420 55.476 54.000 0.093 0.000 0.828 453 D CB 0.040 40.877 40.800 0.063 0.000 0.967 453 D HN 0.311 nan 8.370 nan 0.000 0.464 454 I N 0.014 120.664 120.570 0.133 0.000 2.142 454 I HA -0.247 3.952 4.170 0.048 0.000 0.240 454 I C 2.279 178.515 176.117 0.198 0.000 1.078 454 I CA 0.845 62.241 61.300 0.160 0.000 1.343 454 I CB -0.205 37.908 38.000 0.189 0.000 1.046 454 I HN 0.110 nan 8.210 nan 0.000 0.405 455 L N -0.323 121.038 121.223 0.231 0.000 2.156 455 L HA -0.137 4.232 4.340 0.048 0.000 0.208 455 L C 2.547 179.539 176.870 0.204 0.000 1.095 455 L CA 1.178 56.163 54.840 0.242 0.000 0.770 455 L CB -0.815 41.402 42.059 0.262 0.000 0.914 455 L HN 0.261 nan 8.230 nan 0.000 0.439 456 T N -0.646 114.007 114.554 0.165 0.000 2.777 456 T HA -0.134 4.245 4.350 0.048 0.000 0.266 456 T C 2.039 176.837 174.700 0.164 0.000 1.040 456 T CA 1.073 63.264 62.100 0.153 0.000 1.141 456 T CB -0.104 68.831 68.868 0.111 0.000 0.868 456 T HN 0.276 nan 8.240 nan 0.000 0.444 457 R N 0.619 121.200 120.500 0.135 0.000 2.073 457 R HA 0.039 4.408 4.340 0.048 0.000 0.234 457 R C 2.461 178.832 176.300 0.119 0.000 1.134 457 R CA 1.124 57.289 56.100 0.109 0.000 0.952 457 R CB -0.590 29.761 30.300 0.085 0.000 0.850 457 R HN 0.342 nan 8.270 nan 0.000 0.433 458 L N -0.867 120.453 121.223 0.161 0.000 2.083 458 L HA -0.196 4.173 4.340 0.048 0.000 0.209 458 L C 2.493 179.476 176.870 0.189 0.000 1.083 458 L CA 1.395 56.344 54.840 0.182 0.000 0.752 458 L CB -0.502 41.726 42.059 0.281 0.000 0.899 458 L HN 0.272 nan 8.230 nan 0.000 0.433 459 H N 0.297 119.436 119.070 0.114 0.000 2.276 459 H HA -0.171 4.405 4.556 0.034 0.000 0.301 459 H C 1.859 177.216 175.328 0.048 0.000 1.073 459 H CA 1.996 58.093 56.048 0.082 0.000 1.311 459 H CB 0.082 29.890 29.762 0.077 0.000 1.379 459 H HN 0.170 nan 8.280 nan 0.000 0.494 460 D N 0.264 120.738 120.400 0.123 0.000 2.218 460 D HA -0.110 4.559 4.640 0.048 0.000 0.204 460 D C 1.371 177.664 176.300 -0.011 0.000 0.976 460 D CA 1.084 55.112 54.000 0.047 0.000 0.853 460 D CB -0.144 40.714 40.800 0.095 0.000 0.939 460 D HN 0.631 nan 8.370 nan 0.000 0.481 461 E N -0.082 120.115 120.200 -0.005 0.000 2.489 461 E HA 0.264 4.643 4.350 0.048 0.000 0.193 461 E C 0.555 177.112 176.600 -0.072 0.000 1.057 461 E CA 0.252 56.634 56.400 -0.030 0.000 0.866 461 E CB 0.271 29.959 29.700 -0.020 0.000 0.916 461 E HN 0.117 nan 8.360 nan 0.000 0.500 462 A N 0.678 123.436 122.820 -0.103 0.000 2.745 462 A HA -0.217 4.132 4.320 0.048 0.000 0.296 462 A C 1.430 178.930 177.584 -0.140 0.000 1.500 462 A CA 0.583 52.539 52.037 -0.136 0.000 0.766 462 A CB -2.362 16.558 19.000 -0.132 0.000 1.030 462 A HN 0.216 nan 8.150 nan 0.000 0.489 463 V N -1.958 117.851 119.914 -0.175 0.000 2.427 463 V HA -0.101 4.048 4.120 0.048 0.000 0.248 463 V C 1.239 177.024 176.094 -0.515 0.000 1.051 463 V CA 2.097 64.167 62.300 -0.384 0.000 1.048 463 V CB -0.568 30.921 31.823 -0.555 0.000 0.666 463 V HN 0.669 nan 8.190 nan 0.000 0.456 464 Y N -1.699 118.581 120.300 -0.033 0.000 2.567 464 Y HA 0.645 5.222 4.550 0.045 0.000 0.333 464 Y C -0.153 175.704 175.900 -0.072 0.000 1.106 464 Y CA -1.070 57.011 58.100 -0.032 0.000 1.157 464 Y CB 1.634 40.081 38.460 -0.022 0.000 1.277 464 Y HN -0.157 nan 8.280 nan 0.000 0.490 465 L N 4.403 125.686 121.223 0.100 0.000 2.408 465 L HA 0.497 4.866 4.340 0.048 0.000 0.257 465 L C -2.807 174.064 176.870 0.001 0.000 1.053 465 L CA -2.035 52.808 54.840 0.004 0.000 0.922 465 L CB 1.088 43.126 42.059 -0.035 0.000 1.261 465 L HN 0.360 nan 8.230 nan 0.000 0.458 466 P HA 0.137 nan 4.420 nan 0.000 0.268 466 P C 0.293 177.520 177.300 -0.122 0.000 1.204 466 P CA 0.322 63.368 63.100 -0.091 0.000 0.768 466 P CB 1.224 32.863 31.700 -0.101 0.000 0.842 467 I N 0.493 120.973 120.570 -0.149 0.000 3.345 467 I HA 0.080 4.279 4.170 0.048 0.000 0.258 467 I C 0.751 176.731 176.117 -0.229 0.000 1.134 467 I CA 0.626 61.846 61.300 -0.134 0.000 1.457 467 I CB 0.227 38.200 38.000 -0.046 0.000 1.425 467 I HN 0.395 nan 8.210 nan 0.000 0.461 468 S N -1.063 114.461 115.700 -0.293 0.000 2.565 468 S HA 0.502 5.001 4.470 0.048 0.000 0.269 468 S C -1.585 172.774 174.600 -0.401 0.000 1.153 468 S CA -0.693 57.294 58.200 -0.355 0.000 0.835 468 S CB 1.311 64.401 63.200 -0.183 0.000 1.122 468 S HN 0.058 nan 8.310 nan 0.000 0.462 469 Y N 1.849 122.111 120.300 -0.064 0.000 2.353 469 Y HA 0.587 5.164 4.550 0.046 0.000 0.340 469 Y C 0.425 176.277 175.900 -0.080 0.000 0.972 469 Y CA -1.360 56.697 58.100 -0.072 0.000 1.157 469 Y CB 0.586 39.012 38.460 -0.057 0.000 1.157 469 Y HN 0.808 nan 8.280 nan 0.000 0.495 470 I N -0.626 119.972 120.570 0.046 0.000 2.664 470 I HA 0.792 4.991 4.170 0.048 0.000 0.308 470 I C -0.034 176.046 176.117 -0.061 0.000 0.984 470 I CA -0.382 60.895 61.300 -0.037 0.000 1.213 470 I CB 1.709 39.664 38.000 -0.075 0.000 1.379 470 I HN 0.305 nan 8.210 nan 0.000 0.501 471 S N 4.181 119.811 115.700 -0.118 0.000 2.607 471 S HA 0.637 5.136 4.470 0.048 0.000 0.303 471 S C -0.232 174.231 174.600 -0.228 0.000 1.086 471 S CA -0.837 57.262 58.200 -0.169 0.000 0.995 471 S CB 1.312 64.412 63.200 -0.168 0.000 1.084 471 S HN 0.562 nan 8.310 nan 0.000 0.507 472 M N 2.219 121.641 119.600 -0.297 0.000 2.242 472 M HA 0.390 4.899 4.480 0.048 0.000 0.344 472 M C -0.395 175.695 176.300 -0.351 0.000 1.140 472 M CA 0.762 55.855 55.300 -0.345 0.000 1.160 472 M CB -0.038 32.298 32.600 -0.440 0.000 1.491 472 M HN 0.542 nan 8.290 nan 0.000 0.459 473 M N 1.783 121.161 119.600 -0.369 0.000 2.530 473 M HA 0.678 5.187 4.480 0.048 0.000 0.307 473 M C -1.046 175.112 176.300 -0.235 0.000 1.161 473 M CA -0.919 54.166 55.300 -0.360 0.000 0.903 473 M CB 2.592 34.795 32.600 -0.663 0.000 1.711 473 M HN 0.299 nan 8.290 nan 0.000 0.451 474 V N 2.215 122.113 119.914 -0.027 0.000 2.789 474 V HA 0.684 4.833 4.120 0.048 0.000 0.311 474 V C -0.905 175.247 176.094 0.096 0.000 1.073 474 V CA -0.766 61.542 62.300 0.013 0.000 0.921 474 V CB 2.527 34.367 31.823 0.028 0.000 1.009 474 V HN 0.671 nan 8.190 nan 0.000 0.426 475 V N 3.225 123.134 119.914 -0.008 0.000 2.638 475 V HA 0.846 4.994 4.120 0.048 0.000 0.306 475 V C -0.294 175.645 176.094 -0.259 0.000 1.052 475 V CA -0.300 61.874 62.300 -0.210 0.000 0.885 475 V CB 2.051 33.634 31.823 -0.399 0.000 0.999 475 V HN 1.074 nan 8.190 nan 0.000 0.424 476 S N 3.174 118.806 115.700 -0.113 0.000 2.579 476 S HA 0.626 5.125 4.470 0.048 0.000 0.272 476 S C -1.070 173.754 174.600 0.372 0.000 1.141 476 S CA -1.237 57.067 58.200 0.173 0.000 0.843 476 S CB 1.796 65.119 63.200 0.206 0.000 1.122 476 S HN 0.541 nan 8.310 nan 0.000 0.468 477 K N 1.436 122.056 120.400 0.366 0.000 2.412 477 K HA 0.181 4.530 4.320 0.048 0.000 0.281 477 K C -1.863 174.823 176.600 0.144 0.000 1.027 477 K CA -1.612 54.799 56.287 0.207 0.000 0.989 477 K CB 0.199 32.738 32.500 0.066 0.000 0.935 477 K HN 0.350 nan 8.250 nan 0.000 0.475 478 P HA -0.267 nan 4.420 nan 0.000 0.217 478 P C 0.855 178.148 177.300 -0.012 0.000 1.148 478 P CA 1.326 64.454 63.100 0.046 0.000 0.828 478 P CB 0.103 31.838 31.700 0.059 0.000 0.783 479 E N -0.101 120.103 120.200 0.006 0.000 2.267 479 E HA -0.160 4.219 4.350 0.048 0.000 0.197 479 E C 1.685 178.278 176.600 -0.011 0.000 0.998 479 E CA 0.908 57.303 56.400 -0.007 0.000 0.830 479 E CB -1.135 28.563 29.700 -0.004 0.000 0.751 479 E HN 0.274 nan 8.360 nan 0.000 0.491 480 L N 0.717 121.940 121.223 -0.000 0.000 2.376 480 L HA 0.054 4.423 4.340 0.048 0.000 0.219 480 L C 1.382 178.233 176.870 -0.032 0.000 1.133 480 L CA 0.628 55.470 54.840 0.003 0.000 0.816 480 L CB -0.886 41.196 42.059 0.038 0.000 0.933 480 L HN 0.447 nan 8.230 nan 0.000 0.449 481 G N 0.540 109.286 108.800 -0.091 0.000 2.681 481 G HA2 -0.326 3.663 3.960 0.048 0.000 0.220 481 G HA3 -0.326 3.663 3.960 0.048 0.000 0.220 481 G C -0.309 174.467 174.900 -0.206 0.000 1.353 481 G CA -0.155 44.858 45.100 -0.146 0.000 0.872 481 G HN 0.377 nan 8.290 nan 0.000 0.557 482 N N 0.044 118.648 118.700 -0.160 0.000 2.483 482 N HA 0.358 5.127 4.740 0.048 0.000 0.264 482 N C 0.412 175.895 175.510 -0.045 0.000 1.197 482 N CA -0.271 52.725 53.050 -0.090 0.000 0.927 482 N CB 0.190 38.649 38.487 -0.046 0.000 1.065 482 N HN 0.547 nan 8.380 nan 0.000 0.461 483 I N 5.409 125.972 120.570 -0.012 0.000 2.304 483 I HA 0.316 4.515 4.170 0.048 0.000 0.291 483 I C -1.924 174.049 176.117 -0.240 0.000 1.018 483 I CA -2.290 58.976 61.300 -0.057 0.000 1.260 483 I CB 0.638 38.661 38.000 0.039 0.000 1.390 483 I HN 0.519 nan 8.210 nan 0.000 0.475 484 P HA 0.220 nan 4.420 nan 0.000 0.274 484 P C -1.274 175.845 177.300 -0.301 0.000 1.246 484 P CA -0.075 62.868 63.100 -0.261 0.000 0.795 484 P CB 0.597 32.245 31.700 -0.087 0.000 1.006 485 Y N -0.732 119.644 120.300 0.126 0.000 2.420 485 Y HA 0.535 5.115 4.550 0.049 0.000 0.334 485 Y C 0.948 176.914 175.900 0.110 0.000 1.094 485 Y CA -1.223 56.980 58.100 0.172 0.000 1.126 485 Y CB 1.272 39.801 38.460 0.115 0.000 1.217 485 Y HN 0.367 nan 8.280 nan 0.000 0.462 486 A N 3.322 126.315 122.820 0.288 0.000 2.354 486 A HA 0.367 4.716 4.320 0.048 0.000 0.269 486 A C -1.766 175.931 177.584 0.188 0.000 1.109 486 A CA -1.406 50.730 52.037 0.165 0.000 0.800 486 A CB 0.228 19.289 19.000 0.102 0.000 1.045 486 A HN 0.657 nan 8.150 nan 0.000 0.489 487 P HA -0.088 nan 4.420 nan 0.000 0.215 487 P C 0.065 177.546 177.300 0.301 0.000 1.153 487 P CA 1.027 64.243 63.100 0.193 0.000 0.853 487 P CB -0.043 31.718 31.700 0.102 0.000 0.788 488 I N -0.346 120.380 120.570 0.260 0.000 2.396 488 I HA 0.106 4.305 4.170 0.048 0.000 0.289 488 I C 1.560 177.791 176.117 0.189 0.000 1.056 488 I CA -0.496 60.920 61.300 0.195 0.000 1.365 488 I CB 1.270 39.345 38.000 0.126 0.000 1.407 488 I HN -0.084 nan 8.210 nan 0.000 0.509 489 A N 4.472 127.409 122.820 0.195 0.000 2.032 489 A HA -0.183 4.166 4.320 0.048 0.000 0.221 489 A C 1.998 179.699 177.584 0.195 0.000 1.165 489 A CA 2.270 54.414 52.037 0.179 0.000 0.645 489 A CB -0.795 18.298 19.000 0.155 0.000 0.807 489 A HN 0.823 nan 8.150 nan 0.000 0.453 490 T N -2.409 112.268 114.554 0.204 0.000 3.107 490 T HA 0.246 4.625 4.350 0.048 0.000 0.249 490 T C 0.351 175.165 174.700 0.190 0.000 1.096 490 T CA -0.016 62.203 62.100 0.198 0.000 1.012 490 T CB 0.003 68.973 68.868 0.170 0.000 0.977 490 T HN 0.545 nan 8.240 nan 0.000 0.527 491 E N 0.758 121.052 120.200 0.156 0.000 2.227 491 E HA 0.633 5.012 4.350 0.048 0.000 0.268 491 E C -0.870 175.718 176.600 -0.021 0.000 0.990 491 E CA -0.894 55.561 56.400 0.092 0.000 0.856 491 E CB 1.848 31.592 29.700 0.074 0.000 1.159 491 E HN 0.340 nan 8.360 nan 0.000 0.401 492 I N 2.639 123.089 120.570 -0.200 0.000 2.418 492 I HA 0.221 4.420 4.170 0.048 0.000 0.287 492 I C -2.126 173.617 176.117 -0.624 0.000 1.008 492 I CA -2.122 58.741 61.300 -0.727 0.000 1.104 492 I CB 1.969 39.244 38.000 -1.208 0.000 1.264 492 I HN 0.242 nan 8.210 nan 0.000 0.438 493 P HA 0.152 nan 4.420 nan 0.000 0.218 493 P C 0.643 177.840 177.300 -0.171 0.000 1.793 493 P CA -0.120 62.852 63.100 -0.212 0.000 0.941 493 P CB -0.320 31.317 31.700 -0.104 0.000 1.919 494 F N 1.704 121.635 119.950 -0.032 0.000 2.202 494 F HA -0.193 4.363 4.527 0.049 0.000 0.301 494 F C 2.418 178.387 175.800 0.282 0.000 1.082 494 F CA 1.219 59.220 58.000 0.001 0.000 1.313 494 F CB -0.492 38.332 39.000 -0.293 0.000 1.024 494 F HN 0.177 nan 8.300 nan 0.000 0.495 495 E N 0.392 120.924 120.200 0.553 0.000 2.478 495 E HA -0.178 4.201 4.350 0.048 0.000 0.198 495 E C 1.206 177.908 176.600 0.169 0.000 1.046 495 E CA 0.932 57.542 56.400 0.351 0.000 0.870 495 E CB -0.358 29.416 29.700 0.125 0.000 0.818 495 E HN 0.440 nan 8.360 nan 0.000 0.527 496 Q N 0.292 120.172 119.800 0.133 0.000 2.281 496 Q HA 0.308 4.677 4.340 0.048 0.000 0.215 496 Q C 0.643 176.676 176.000 0.055 0.000 0.867 496 Q CA -0.173 55.670 55.803 0.068 0.000 0.940 496 Q CB 0.828 29.587 28.738 0.036 0.000 1.111 496 Q HN 0.350 nan 8.270 nan 0.000 0.513 497 I N 1.857 122.476 120.570 0.082 0.000 2.533 497 I HA 0.037 4.236 4.170 0.048 0.000 0.284 497 I C 0.687 176.843 176.117 0.066 0.000 1.109 497 I CA 0.370 61.708 61.300 0.063 0.000 1.412 497 I CB 0.418 38.468 38.000 0.084 0.000 1.396 497 I HN -0.349 nan 8.210 nan 0.000 0.543 498 K N 7.942 128.363 120.400 0.035 0.000 2.756 498 K HA 0.405 4.754 4.320 0.048 0.000 0.218 498 K C -2.480 174.127 176.600 0.012 0.000 1.057 498 K CA -1.380 54.923 56.287 0.027 0.000 1.056 498 K CB 1.270 33.782 32.500 0.020 0.000 1.235 498 K HN 0.316 nan 8.250 nan 0.000 0.547 499 P HA 0.000 nan 4.420 nan 0.000 0.216 499 P CA 0.000 63.102 63.100 0.003 0.000 0.800 499 P CB 0.000 31.705 31.700 0.009 0.000 0.726