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 3c3v_1_A DATA FIRST_RESID 21 DATA SEQUENCE ISFRQQPEEN AcQFQRLNAQ RPDNRIESEG GYIETWNPNN QEFEcAGVAL DATA SEQUENCE SRLVLRRNAL RRPFYSNAPQ EIFIQQGRGY FGLIFPGcPS TYEEPAQXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXQQQ QDSHQKVHRF NEGDLIAVPT GVAFWLYNDH DATA SEQUENCE DTDVVAVSLT DTNNNDNQLD QFPRRFNLAG NHEQEFLRYQ QXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXG NIFSGFTPEF DATA SEQUENCE LAQAFQVDDR QIVQNLRGEN ESEEQGAIVT VRGGLRILSP XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXGIEET IcTATVKKNI GRNRSPDIYN DATA SEQUENCE PQAGSLKTAN ELNLLILRWL GLSAEYGNLY RNALFVPHYN TNAHSIIYAL DATA SEQUENCE RGRAHVQVVD SNGNRVYDEE LQEGHVLVVP QNFAVAGKSQ SDNFEYVAFK DATA SEQUENCE TDSRPSIANL AGENSVIDNL PEEVVANSYG LPREQARQLK NNNPFKFFVP DATA SEQUENCE P 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 21 I HA 0.000 nan 4.170 nan 0.000 0.288 21 I C 0.000 175.932 176.117 -0.309 0.000 1.063 21 I CA 0.000 61.135 61.300 -0.275 0.000 1.566 21 I CB 0.000 37.823 38.000 -0.295 0.000 1.214 22 S N 1.299 116.687 115.700 -0.520 0.000 2.565 22 S HA 0.876 5.346 4.470 -0.000 0.000 0.269 22 S C -1.634 172.564 174.600 -0.670 0.000 1.153 22 S CA -0.722 57.241 58.200 -0.395 0.000 0.835 22 S CB 1.488 64.600 63.200 -0.147 0.000 1.122 22 S HN 0.709 nan 8.310 nan 0.000 0.462 23 F N 0.677 120.635 119.950 0.014 0.000 2.612 23 F HA 0.640 5.167 4.527 0.000 0.000 0.332 23 F C 0.377 176.194 175.800 0.028 0.000 1.167 23 F CA -0.505 57.507 58.000 0.020 0.000 0.970 23 F CB 1.999 41.013 39.000 0.022 0.000 1.234 23 F HN 0.512 nan 8.300 nan 0.000 0.453 24 R N 1.046 121.634 120.500 0.146 0.000 2.771 24 R HA 0.461 4.801 4.340 -0.000 0.000 0.274 24 R C -1.169 175.187 176.300 0.095 0.000 0.987 24 R CA -1.460 54.705 56.100 0.109 0.000 0.908 24 R CB 2.137 32.484 30.300 0.079 0.000 1.213 24 R HN 0.467 nan 8.270 nan 0.000 0.468 25 Q N 1.766 121.613 119.800 0.079 0.000 2.311 25 Q HA 0.013 4.353 4.340 -0.000 0.000 0.272 25 Q C -0.643 175.392 176.000 0.059 0.000 1.012 25 Q CA 0.599 56.441 55.803 0.064 0.000 0.891 25 Q CB 0.795 29.564 28.738 0.052 0.000 1.201 25 Q HN 0.319 nan 8.270 nan 0.000 0.391 26 Q N 4.573 124.405 119.800 0.054 0.000 2.394 26 Q HA 0.246 4.586 4.340 -0.000 0.000 0.248 26 Q C -1.885 174.139 176.000 0.040 0.000 0.992 26 Q CA -1.599 54.236 55.803 0.053 0.000 0.888 26 Q CB 0.341 29.107 28.738 0.045 0.000 1.257 26 Q HN 0.587 nan 8.270 nan 0.000 0.462 27 P HA -0.033 nan 4.420 nan 0.000 0.274 27 P C -0.875 176.429 177.300 0.007 0.000 1.246 27 P CA -0.238 62.870 63.100 0.013 0.000 0.795 27 P CB 0.472 32.171 31.700 -0.002 0.000 1.006 28 E N -0.014 120.184 120.200 -0.004 0.000 2.425 28 E HA 0.000 4.350 4.350 -0.000 0.000 0.258 28 E C 0.003 176.595 176.600 -0.014 0.000 1.151 28 E CA -0.608 55.788 56.400 -0.006 0.000 0.958 28 E CB 0.338 30.033 29.700 -0.008 0.000 0.968 28 E HN 0.399 nan 8.360 nan 0.000 0.451 29 E N 1.059 121.253 120.200 -0.011 0.000 2.529 29 E HA -0.193 4.157 4.350 -0.000 0.000 0.259 29 E C -0.351 176.230 176.600 -0.033 0.000 0.966 29 E CA 0.513 56.904 56.400 -0.015 0.000 0.937 29 E CB 0.076 29.770 29.700 -0.010 0.000 0.923 29 E HN 0.632 nan 8.360 nan 0.000 0.468 30 N N 1.505 120.182 118.700 -0.038 0.000 2.936 30 N HA -0.292 4.448 4.740 -0.000 0.000 0.236 30 N C 0.649 176.081 175.510 -0.130 0.000 0.930 30 N CA 1.066 54.076 53.050 -0.067 0.000 0.966 30 N CB -1.538 36.911 38.487 -0.064 0.000 1.090 30 N HN 0.531 nan 8.380 nan 0.000 0.592 31 A N -0.286 122.462 122.820 -0.119 0.000 2.019 31 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 31 A C 2.040 179.418 177.584 -0.343 0.000 1.164 31 A CA 1.638 53.564 52.037 -0.186 0.000 0.644 31 A CB -0.272 18.666 19.000 -0.103 0.000 0.805 31 A HN 0.558 nan 8.150 nan 0.000 0.449 32 c N 0.075 118.544 118.600 -0.218 0.000 2.778 32 c HA 0.275 4.845 4.570 -0.000 0.000 0.294 32 c C 0.419 174.489 174.090 -0.033 0.000 1.331 32 c CA -0.587 55.669 56.329 -0.121 0.000 1.741 32 c CB -1.460 41.117 42.510 0.110 0.000 2.106 32 c HN 0.533 nan 8.230 nan 0.000 0.603 33 Q N 0.437 120.093 119.800 -0.240 0.000 2.398 33 Q HA 0.465 4.805 4.340 -0.000 0.000 0.251 33 Q C -1.226 174.628 176.000 -0.242 0.000 0.999 33 Q CA 0.253 56.003 55.803 -0.088 0.000 0.874 33 Q CB 0.991 29.698 28.738 -0.051 0.000 1.215 33 Q HN 0.400 nan 8.270 nan 0.000 0.470 34 F N 1.204 121.230 119.950 0.127 0.000 2.482 34 F HA 0.217 4.744 4.527 0.000 0.000 0.331 34 F C 1.182 177.027 175.800 0.075 0.000 1.115 34 F CA -0.455 57.608 58.000 0.106 0.000 0.955 34 F CB 1.802 40.899 39.000 0.162 0.000 1.136 34 F HN 0.481 nan 8.300 nan 0.000 0.452 35 Q N 1.725 121.655 119.800 0.217 0.000 2.062 35 Q HA 0.031 4.371 4.340 -0.000 0.000 0.196 35 Q C -0.115 175.989 176.000 0.174 0.000 0.967 35 Q CA 0.975 56.869 55.803 0.151 0.000 0.832 35 Q CB 0.246 29.039 28.738 0.092 0.000 0.899 35 Q HN 0.589 nan 8.270 nan 0.000 0.442 36 R N -0.740 119.892 120.500 0.221 0.000 2.698 36 R HA 0.541 4.881 4.340 -0.000 0.000 0.275 36 R C -1.560 174.870 176.300 0.217 0.000 1.001 36 R CA -0.610 55.600 56.100 0.184 0.000 0.896 36 R CB 0.893 31.265 30.300 0.120 0.000 1.218 36 R HN -0.117 nan 8.270 nan 0.000 0.462 37 L N 2.403 123.679 121.223 0.088 0.000 2.276 37 L HA 0.415 4.755 4.340 -0.000 0.000 0.286 37 L C -0.564 176.393 176.870 0.144 0.000 1.061 37 L CA -0.510 54.288 54.840 -0.069 0.000 0.807 37 L CB 1.334 43.228 42.059 -0.275 0.000 1.177 37 L HN 0.737 nan 8.230 nan 0.000 0.429 38 N N 2.070 120.831 118.700 0.102 0.000 2.430 38 N HA 0.529 5.269 4.740 -0.000 0.000 0.292 38 N C -0.342 175.243 175.510 0.124 0.000 1.051 38 N CA -0.518 52.637 53.050 0.176 0.000 0.917 38 N CB 1.726 40.308 38.487 0.158 0.000 1.164 38 N HN 0.667 nan 8.380 nan 0.000 0.484 39 A N 1.786 124.751 122.820 0.242 0.000 2.445 39 A HA 0.221 4.541 4.320 -0.000 0.000 0.242 39 A C -0.311 177.445 177.584 0.287 0.000 1.075 39 A CA 0.030 52.188 52.037 0.201 0.000 0.777 39 A CB 0.371 19.547 19.000 0.293 0.000 1.013 39 A HN 0.498 nan 8.150 nan 0.000 0.493 40 Q N 0.817 120.832 119.800 0.359 0.000 2.375 40 Q HA 0.484 4.824 4.340 -0.000 0.000 0.271 40 Q C -0.698 175.682 176.000 0.633 0.000 1.074 40 Q CA -0.408 55.688 55.803 0.489 0.000 0.808 40 Q CB 2.391 31.508 28.738 0.633 0.000 1.327 40 Q HN 0.802 nan 8.270 nan 0.000 0.441 41 R N 1.170 121.860 120.500 0.317 0.000 2.873 41 R HA 0.604 4.944 4.340 -0.000 0.000 0.264 41 R C -2.295 173.666 176.300 -0.565 0.000 1.026 41 R CA -2.034 54.030 56.100 -0.060 0.000 1.002 41 R CB 1.420 31.580 30.300 -0.233 0.000 1.174 41 R HN 0.346 nan 8.270 nan 0.000 0.488 42 P HA -0.018 nan 4.420 nan 0.000 0.268 42 P C -0.313 176.743 177.300 -0.408 0.000 1.208 42 P CA 0.305 62.777 63.100 -1.048 0.000 0.777 42 P CB 0.513 31.602 31.700 -1.018 0.000 0.875 43 D N -0.131 120.138 120.400 -0.217 0.000 2.500 43 D HA 0.048 4.688 4.640 -0.000 0.000 0.217 43 D C -0.330 175.946 176.300 -0.040 0.000 1.159 43 D CA 0.101 54.061 54.000 -0.066 0.000 0.828 43 D CB -0.111 40.716 40.800 0.046 0.000 1.039 43 D HN 0.308 nan 8.370 nan 0.000 0.512 44 N N -0.192 118.463 118.700 -0.075 0.000 2.367 44 N HA 0.326 5.066 4.740 -0.000 0.000 0.278 44 N C -1.741 173.700 175.510 -0.115 0.000 1.117 44 N CA -0.484 52.515 53.050 -0.085 0.000 0.867 44 N CB 2.507 40.948 38.487 -0.078 0.000 1.649 44 N HN -0.101 nan 8.380 nan 0.000 0.479 45 R N 3.161 123.589 120.500 -0.121 0.000 2.561 45 R HA 0.560 4.900 4.340 -0.000 0.000 0.297 45 R C -1.076 175.167 176.300 -0.094 0.000 0.969 45 R CA -0.405 55.628 56.100 -0.112 0.000 0.879 45 R CB 1.091 31.275 30.300 -0.192 0.000 1.178 45 R HN 0.470 nan 8.270 nan 0.000 0.445 46 I N 3.928 124.466 120.570 -0.055 0.000 2.355 46 I HA 0.277 4.447 4.170 -0.000 0.000 0.288 46 I C -0.118 175.990 176.117 -0.016 0.000 0.999 46 I CA -0.856 60.406 61.300 -0.063 0.000 1.163 46 I CB 1.663 39.605 38.000 -0.097 0.000 1.316 46 I HN 0.393 nan 8.210 nan 0.000 0.454 47 E N 5.113 125.295 120.200 -0.029 0.000 2.313 47 E HA 0.450 4.800 4.350 -0.000 0.000 0.276 47 E C -0.606 175.987 176.600 -0.012 0.000 1.031 47 E CA -0.076 56.324 56.400 0.001 0.000 0.857 47 E CB 1.726 31.411 29.700 -0.025 0.000 1.040 47 E HN 0.547 nan 8.360 nan 0.000 0.408 48 S N 1.261 116.971 115.700 0.016 0.000 2.732 48 S HA 0.172 4.642 4.470 -0.000 0.000 0.293 48 S C 1.077 175.689 174.600 0.019 0.000 1.159 48 S CA -0.882 57.313 58.200 -0.009 0.000 0.847 48 S CB 1.891 65.065 63.200 -0.044 0.000 1.169 48 S HN 0.648 nan 8.310 nan 0.000 0.501 49 E N 0.987 121.194 120.200 0.013 0.000 2.021 49 E HA -0.152 4.198 4.350 -0.000 0.000 0.200 49 E C 1.167 177.786 176.600 0.033 0.000 1.015 49 E CA 1.556 57.970 56.400 0.023 0.000 0.824 49 E CB -0.548 29.167 29.700 0.024 0.000 0.762 49 E HN 0.768 nan 8.360 nan 0.000 0.454 50 G N -0.627 108.193 108.800 0.033 0.000 3.959 50 G HA2 0.505 4.465 3.960 -0.000 0.000 0.298 50 G HA3 0.505 4.465 3.960 -0.000 0.000 0.298 50 G C -0.054 174.861 174.900 0.025 0.000 1.211 50 G CA 0.215 45.335 45.100 0.033 0.000 1.001 50 G HN 0.546 nan 8.290 nan 0.000 0.561 51 G N -0.277 108.545 108.800 0.037 0.000 2.399 51 G HA2 0.530 4.490 3.960 -0.000 0.000 0.256 51 G HA3 0.530 4.490 3.960 -0.000 0.000 0.256 51 G C -1.374 173.581 174.900 0.092 0.000 1.236 51 G CA -0.078 45.026 45.100 0.008 0.000 0.914 51 G HN 0.845 nan 8.290 nan 0.000 0.482 52 Y N -1.956 118.331 120.300 -0.021 0.000 2.750 52 Y HA 0.824 5.374 4.550 -0.000 0.000 0.335 52 Y C -1.315 174.555 175.900 -0.050 0.000 1.252 52 Y CA -1.643 56.429 58.100 -0.047 0.000 1.064 52 Y CB 1.117 39.548 38.460 -0.048 0.000 1.321 52 Y HN 0.596 nan 8.280 nan 0.000 0.451 53 I N 1.761 122.413 120.570 0.136 0.000 2.499 53 I HA 0.376 4.546 4.170 -0.000 0.000 0.288 53 I C -1.083 175.081 176.117 0.078 0.000 1.048 53 I CA -0.681 60.635 61.300 0.027 0.000 1.062 53 I CB 2.142 40.095 38.000 -0.078 0.000 1.238 53 I HN 0.624 nan 8.210 nan 0.000 0.426 54 E N 4.058 124.302 120.200 0.074 0.000 2.195 54 E HA 0.546 4.896 4.350 -0.000 0.000 0.271 54 E C -0.829 175.728 176.600 -0.072 0.000 0.923 54 E CA -0.741 55.646 56.400 -0.021 0.000 0.790 54 E CB 2.433 32.107 29.700 -0.044 0.000 1.155 54 E HN 0.614 nan 8.360 nan 0.000 0.402 55 T N -1.231 113.253 114.554 -0.117 0.000 2.863 55 T HA 0.403 4.753 4.350 -0.000 0.000 0.285 55 T C -0.458 174.262 174.700 0.033 0.000 1.009 55 T CA -0.901 61.185 62.100 -0.023 0.000 0.989 55 T CB 0.947 69.692 68.868 -0.207 0.000 1.004 55 T HN 0.371 nan 8.240 nan 0.000 0.455 56 W N 2.081 123.352 121.300 -0.049 0.000 2.316 56 W HA 0.297 4.957 4.660 -0.000 0.000 0.321 56 W C 0.688 176.999 176.519 -0.348 0.000 1.203 56 W CA -0.716 56.549 57.345 -0.134 0.000 1.214 56 W CB 1.091 30.412 29.460 -0.232 0.000 1.169 56 W HN 0.656 nan 8.180 nan 0.000 0.561 57 N N 4.785 123.416 118.700 -0.114 0.000 2.438 57 N HA -0.011 4.729 4.740 -0.000 0.000 0.267 57 N C -1.322 173.962 175.510 -0.376 0.000 1.222 57 N CA -0.964 51.789 53.050 -0.494 0.000 0.930 57 N CB 1.042 39.486 38.487 -0.072 0.000 1.083 57 N HN 0.088 nan 8.380 nan 0.000 0.476 58 P HA 0.035 nan 4.420 nan 0.000 0.241 58 P C 0.124 177.389 177.300 -0.059 0.000 1.191 58 P CA 0.488 63.397 63.100 -0.318 0.000 0.771 58 P CB 0.491 31.963 31.700 -0.380 0.000 0.929 59 N N -0.033 118.637 118.700 -0.051 0.000 2.422 59 N HA 0.008 4.748 4.740 -0.000 0.000 0.181 59 N C 0.505 176.067 175.510 0.087 0.000 1.080 59 N CA 0.203 53.273 53.050 0.034 0.000 0.893 59 N CB -0.577 37.941 38.487 0.051 0.000 0.973 59 N HN 0.334 nan 8.380 nan 0.000 0.456 60 N N 0.962 119.751 118.700 0.149 0.000 2.479 60 N HA -0.041 4.699 4.740 -0.000 0.000 0.257 60 N C 1.158 176.764 175.510 0.160 0.000 1.232 60 N CA -0.117 53.044 53.050 0.184 0.000 0.920 60 N CB 1.044 39.697 38.487 0.276 0.000 1.105 60 N HN 0.126 nan 8.380 nan 0.000 0.444 61 Q N 1.108 120.985 119.800 0.128 0.000 2.135 61 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 61 Q C 0.783 176.869 176.000 0.145 0.000 0.981 61 Q CA 1.659 57.520 55.803 0.095 0.000 0.856 61 Q CB 0.163 28.945 28.738 0.074 0.000 0.902 61 Q HN 0.546 nan 8.270 nan 0.000 0.425 62 E N -0.240 120.039 120.200 0.132 0.000 2.085 62 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 62 E C 1.547 177.973 176.600 -0.289 0.000 0.994 62 E CA 1.402 57.748 56.400 -0.090 0.000 0.801 62 E CB -0.259 29.215 29.700 -0.376 0.000 0.743 62 E HN 0.373 nan 8.360 nan 0.000 0.453 63 F N 1.182 121.121 119.950 -0.018 0.000 2.234 63 F HA -0.025 4.502 4.527 0.000 0.000 0.296 63 F C 2.175 177.915 175.800 -0.100 0.000 1.089 63 F CA 0.822 58.771 58.000 -0.084 0.000 1.343 63 F CB -0.209 38.743 39.000 -0.081 0.000 1.040 63 F HN -0.047 nan 8.300 nan 0.000 0.498 64 E N -0.358 119.899 120.200 0.095 0.000 2.058 64 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 64 E C 2.472 179.044 176.600 -0.047 0.000 0.997 64 E CA 1.541 57.950 56.400 0.016 0.000 0.801 64 E CB -1.289 28.414 29.700 0.006 0.000 0.746 64 E HN 0.472 nan 8.360 nan 0.000 0.450 65 c N 1.284 119.842 118.600 -0.069 0.000 2.393 65 c HA -0.105 4.465 4.570 -0.000 0.000 0.276 65 c C 2.962 176.830 174.090 -0.369 0.000 1.215 65 c CA 1.650 57.903 56.329 -0.127 0.000 1.743 65 c CB -1.061 41.461 42.510 0.019 0.000 2.044 65 c HN 0.486 nan 8.230 nan 0.000 0.464 66 A N -0.843 121.686 122.820 -0.485 0.000 2.121 66 A HA 0.310 4.630 4.320 -0.000 0.000 0.218 66 A C 1.936 179.340 177.584 -0.301 0.000 1.154 66 A CA 1.731 53.339 52.037 -0.715 0.000 0.679 66 A CB -1.229 17.525 19.000 -0.410 0.000 0.795 66 A HN 1.879 nan 8.150 nan 0.000 0.458 67 G N -1.099 107.618 108.800 -0.139 0.000 2.246 67 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.273 67 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.273 67 G C 0.210 175.087 174.900 -0.037 0.000 1.055 67 G CA 0.899 45.969 45.100 -0.051 0.000 0.851 67 G HN 1.897 nan 8.290 nan 0.000 0.500 68 V N -4.219 115.685 119.914 -0.016 0.000 3.160 68 V HA 1.036 5.156 4.120 -0.000 0.000 0.310 68 V C 0.034 176.053 176.094 -0.125 0.000 1.181 68 V CA -0.576 61.692 62.300 -0.053 0.000 1.047 68 V CB 1.954 33.757 31.823 -0.034 0.000 1.068 68 V HN 1.906 nan 8.190 nan 0.000 0.441 69 A N 1.810 124.457 122.820 -0.289 0.000 2.413 69 A HA 0.972 5.292 4.320 -0.000 0.000 0.307 69 A C -1.405 175.951 177.584 -0.381 0.000 1.087 69 A CA -0.712 51.012 52.037 -0.522 0.000 0.750 69 A CB 1.741 20.188 19.000 -0.921 0.000 1.296 69 A HN 1.458 nan 8.150 nan 0.000 0.423 70 L N 1.285 122.312 121.223 -0.327 0.000 2.401 70 L HA 0.828 5.168 4.340 -0.000 0.000 0.266 70 L C -0.003 177.024 176.870 0.262 0.000 0.991 70 L CA 0.357 55.068 54.840 -0.215 0.000 0.818 70 L CB 2.297 43.993 42.059 -0.604 0.000 1.321 70 L HN 1.082 nan 8.230 nan 0.000 0.413 71 S N 3.235 119.077 115.700 0.236 0.000 2.638 71 S HA 0.823 5.293 4.470 -0.000 0.000 0.274 71 S C -1.030 173.750 174.600 0.301 0.000 1.157 71 S CA -0.972 57.442 58.200 0.357 0.000 0.826 71 S CB 2.088 65.389 63.200 0.169 0.000 1.139 71 S HN 0.723 nan 8.310 nan 0.000 0.474 72 R N 0.182 120.840 120.500 0.263 0.000 2.574 72 R HA 0.690 5.030 4.340 -0.000 0.000 0.288 72 R C -2.092 174.238 176.300 0.050 0.000 1.004 72 R CA -0.792 55.414 56.100 0.178 0.000 0.895 72 R CB 1.527 31.992 30.300 0.277 0.000 1.191 72 R HN 0.768 nan 8.270 nan 0.000 0.444 73 L N 4.443 125.660 121.223 -0.009 0.000 2.346 73 L HA 0.635 4.975 4.340 -0.000 0.000 0.276 73 L C -1.593 175.164 176.870 -0.189 0.000 1.006 73 L CA -0.523 54.261 54.840 -0.094 0.000 0.817 73 L CB 2.163 44.209 42.059 -0.022 0.000 1.272 73 L HN 0.385 nan 8.230 nan 0.000 0.421 74 V N 6.215 125.881 119.914 -0.413 0.000 2.487 74 V HA 0.499 4.619 4.120 -0.000 0.000 0.298 74 V C -0.367 175.570 176.094 -0.261 0.000 1.028 74 V CA -0.467 61.588 62.300 -0.408 0.000 0.860 74 V CB 1.600 32.956 31.823 -0.779 0.000 0.991 74 V HN 0.631 nan 8.190 nan 0.000 0.427 75 L N 5.535 126.691 121.223 -0.112 0.000 2.343 75 L HA 0.605 4.945 4.340 -0.000 0.000 0.278 75 L C 0.314 177.165 176.870 -0.032 0.000 0.996 75 L CA -0.547 54.266 54.840 -0.045 0.000 0.831 75 L CB 1.850 43.922 42.059 0.021 0.000 1.232 75 L HN 0.588 nan 8.230 nan 0.000 0.413 76 R N 1.415 121.898 120.500 -0.028 0.000 2.580 76 R HA 0.362 4.702 4.340 -0.000 0.000 0.267 76 R C 0.264 176.537 176.300 -0.046 0.000 1.125 76 R CA -0.875 55.214 56.100 -0.017 0.000 1.188 76 R CB 0.626 30.930 30.300 0.006 0.000 1.155 76 R HN 0.484 nan 8.270 nan 0.000 0.586 77 R N 1.446 121.922 120.500 -0.040 0.000 2.566 77 R HA -0.197 4.143 4.340 -0.000 0.000 0.273 77 R C -0.333 175.913 176.300 -0.090 0.000 0.981 77 R CA 0.615 56.670 56.100 -0.076 0.000 1.091 77 R CB 0.077 30.356 30.300 -0.034 0.000 0.924 77 R HN 0.645 nan 8.270 nan 0.000 0.411 78 N N -0.283 118.299 118.700 -0.198 0.000 2.753 78 N HA -0.221 4.519 4.740 -0.000 0.000 0.251 78 N C -1.151 174.365 175.510 0.010 0.000 1.097 78 N CA 1.430 54.420 53.050 -0.100 0.000 0.786 78 N CB -1.249 37.290 38.487 0.086 0.000 1.137 78 N HN 0.662 nan 8.380 nan 0.000 0.566 79 A N 0.037 122.804 122.820 -0.088 0.000 2.310 79 A HA 0.674 4.994 4.320 -0.000 0.000 0.299 79 A C 0.037 177.715 177.584 0.157 0.000 1.147 79 A CA -0.460 51.605 52.037 0.046 0.000 0.818 79 A CB 0.853 19.863 19.000 0.016 0.000 1.096 79 A HN 0.258 nan 8.150 nan 0.000 0.495 80 L N 2.071 123.440 121.223 0.243 0.000 2.325 80 L HA 0.688 5.028 4.340 -0.000 0.000 0.281 80 L C -0.028 176.972 176.870 0.216 0.000 1.004 80 L CA -0.563 54.472 54.840 0.326 0.000 0.823 80 L CB 1.552 43.766 42.059 0.258 0.000 1.236 80 L HN 0.728 nan 8.230 nan 0.000 0.415 81 R N 4.557 125.202 120.500 0.242 0.000 2.210 81 R HA 0.430 4.770 4.340 -0.000 0.000 0.338 81 R C -0.450 176.017 176.300 0.278 0.000 1.062 81 R CA -0.094 56.133 56.100 0.213 0.000 0.902 81 R CB 0.338 30.765 30.300 0.213 0.000 1.050 81 R HN 0.668 nan 8.270 nan 0.000 0.461 82 R N 5.018 125.664 120.500 0.243 0.000 2.641 82 R HA 0.197 4.537 4.340 -0.000 0.000 0.269 82 R C -2.035 174.479 176.300 0.356 0.000 1.074 82 R CA -1.596 54.644 56.100 0.233 0.000 1.133 82 R CB 0.177 30.589 30.300 0.186 0.000 1.029 82 R HN 0.548 nan 8.270 nan 0.000 0.488 83 P HA 0.001 nan 4.420 nan 0.000 0.269 83 P C -1.059 176.509 177.300 0.446 0.000 1.209 83 P CA 0.323 63.645 63.100 0.370 0.000 0.776 83 P CB 0.348 32.229 31.700 0.301 0.000 0.876 84 F N 0.787 120.915 119.950 0.296 0.000 2.713 84 F HA 0.729 5.256 4.527 -0.000 0.000 0.311 84 F C -1.693 174.296 175.800 0.315 0.000 1.141 84 F CA -1.521 56.621 58.000 0.236 0.000 0.939 84 F CB 0.929 40.038 39.000 0.181 0.000 1.325 84 F HN 0.402 nan 8.300 nan 0.000 0.453 85 Y N -0.401 120.038 120.300 0.232 0.000 2.605 85 Y HA 0.859 5.409 4.550 -0.000 0.000 0.343 85 Y C -0.989 175.122 175.900 0.351 0.000 1.036 85 Y CA -1.333 56.810 58.100 0.071 0.000 1.065 85 Y CB 1.594 40.033 38.460 -0.034 0.000 1.288 85 Y HN 0.907 nan 8.280 nan 0.000 0.481 86 S N 0.230 116.162 115.700 0.387 0.000 2.569 86 S HA 0.267 4.737 4.470 -0.000 0.000 0.280 86 S C 0.156 174.917 174.600 0.268 0.000 1.111 86 S CA -0.596 57.823 58.200 0.366 0.000 0.887 86 S CB 0.907 64.293 63.200 0.309 0.000 1.095 86 S HN 0.929 nan 8.310 nan 0.000 0.476 87 N N 2.079 120.936 118.700 0.260 0.000 2.453 87 N HA 0.048 4.788 4.740 -0.000 0.000 0.183 87 N C 0.320 175.881 175.510 0.087 0.000 1.041 87 N CA 0.558 53.701 53.050 0.155 0.000 0.900 87 N CB -0.256 38.338 38.487 0.178 0.000 0.961 87 N HN 0.552 nan 8.380 nan 0.000 0.443 88 A N 0.887 123.752 122.820 0.075 0.000 2.365 88 A HA 0.661 4.981 4.320 -0.000 0.000 0.318 88 A C -2.748 174.858 177.584 0.037 0.000 1.091 88 A CA -1.767 50.293 52.037 0.038 0.000 0.763 88 A CB 1.313 20.314 19.000 0.002 0.000 1.248 88 A HN -0.027 nan 8.150 nan 0.000 0.442 89 P HA 0.289 nan 4.420 nan 0.000 0.269 89 P C -0.858 176.434 177.300 -0.014 0.000 1.209 89 P CA 0.178 63.289 63.100 0.018 0.000 0.776 89 P CB 0.456 32.181 31.700 0.042 0.000 0.876 90 Q N 0.616 120.390 119.800 -0.045 0.000 2.413 90 Q HA 0.486 4.826 4.340 -0.000 0.000 0.276 90 Q C -0.677 175.268 176.000 -0.092 0.000 1.099 90 Q CA -0.748 55.005 55.803 -0.083 0.000 0.814 90 Q CB 2.529 31.208 28.738 -0.099 0.000 1.379 90 Q HN 0.382 nan 8.270 nan 0.000 0.436 91 E N 1.705 121.856 120.200 -0.082 0.000 2.210 91 E HA 0.497 4.847 4.350 -0.000 0.000 0.266 91 E C -1.040 175.573 176.600 0.020 0.000 0.883 91 E CA -0.435 55.970 56.400 0.008 0.000 0.761 91 E CB 1.936 31.748 29.700 0.187 0.000 1.156 91 E HN 0.396 nan 8.360 nan 0.000 0.412 92 I N 3.007 123.569 120.570 -0.014 0.000 2.406 92 I HA 0.331 4.501 4.170 -0.000 0.000 0.290 92 I C -0.867 175.313 176.117 0.105 0.000 0.999 92 I CA -0.881 60.416 61.300 -0.004 0.000 1.124 92 I CB 1.078 38.941 38.000 -0.228 0.000 1.289 92 I HN 0.426 nan 8.210 nan 0.000 0.441 93 F N 7.434 127.432 119.950 0.080 0.000 2.436 93 F HA 0.539 5.066 4.527 0.000 0.000 0.340 93 F C -0.365 175.415 175.800 -0.032 0.000 1.113 93 F CA -0.850 57.157 58.000 0.012 0.000 1.022 93 F CB 0.979 39.988 39.000 0.015 0.000 1.128 93 F HN 0.158 nan 8.300 nan 0.000 0.466 94 I N 6.891 126.936 120.570 -0.874 0.000 2.281 94 I HA 0.094 4.264 4.170 -0.000 0.000 0.293 94 I C 1.048 176.693 176.117 -0.788 0.000 1.085 94 I CA 0.206 61.155 61.300 -0.586 0.000 1.257 94 I CB 0.633 38.429 38.000 -0.339 0.000 1.430 94 I HN 0.831 nan 8.210 nan 0.000 0.489 95 Q N 5.979 125.598 119.800 -0.302 0.000 2.123 95 Q HA -0.087 4.253 4.340 -0.000 0.000 0.199 95 Q C 0.101 176.107 176.000 0.011 0.000 0.966 95 Q CA 1.173 56.990 55.803 0.025 0.000 0.845 95 Q CB 0.571 29.478 28.738 0.282 0.000 0.907 95 Q HN 0.801 nan 8.270 nan 0.000 0.439 96 Q N -2.314 117.485 119.800 -0.003 0.000 2.435 96 Q HA 0.596 4.936 4.340 -0.000 0.000 0.282 96 Q C -0.619 175.401 176.000 0.034 0.000 1.020 96 Q CA -0.672 55.140 55.803 0.015 0.000 0.820 96 Q CB 1.744 30.512 28.738 0.050 0.000 1.436 96 Q HN 0.196 nan 8.270 nan 0.000 0.395 97 G N 0.704 109.512 108.800 0.014 0.000 2.655 97 G HA2 0.050 4.010 3.960 -0.000 0.000 0.680 97 G HA3 0.050 4.010 3.960 -0.000 0.000 0.680 97 G C -1.313 173.578 174.900 -0.015 0.000 1.302 97 G CA -0.348 44.762 45.100 0.017 0.000 0.872 97 G HN 1.160 nan 8.290 nan 0.000 0.540 98 R N -0.324 120.084 120.500 -0.153 0.000 2.692 98 R HA 0.848 5.188 4.340 -0.000 0.000 0.269 98 R C 0.149 176.016 176.300 -0.721 0.000 1.030 98 R CA 0.005 55.806 56.100 -0.499 0.000 0.882 98 R CB 1.413 31.470 30.300 -0.404 0.000 1.250 98 R HN 2.611 nan 8.270 nan 0.000 0.465 99 G N 0.417 108.408 108.800 -1.348 0.000 2.335 99 G HA2 0.335 4.295 3.960 -0.000 0.000 0.291 99 G HA3 0.335 4.295 3.960 -0.000 0.000 0.291 99 G C -2.237 172.082 174.900 -0.968 0.000 1.261 99 G CA -0.684 43.797 45.100 -1.031 0.000 0.871 99 G HN 0.344 nan 8.290 nan 0.000 0.491 100 Y N -0.335 120.026 120.300 0.101 0.000 2.499 100 Y HA 0.772 5.322 4.550 0.000 0.000 0.347 100 Y C -0.099 176.060 175.900 0.431 0.000 0.987 100 Y CA -0.953 57.317 58.100 0.283 0.000 1.044 100 Y CB 2.224 40.873 38.460 0.315 0.000 1.245 100 Y HN 0.711 nan 8.280 nan 0.000 0.461 101 F N -0.741 119.291 119.950 0.136 0.000 2.613 101 F HA 0.979 5.506 4.527 0.000 0.000 0.310 101 F C -0.520 174.784 175.800 -0.826 0.000 1.085 101 F CA -1.477 56.204 58.000 -0.532 0.000 0.945 101 F CB 1.462 40.312 39.000 -0.250 0.000 1.298 101 F HN 0.577 nan 8.300 nan 0.000 0.455 102 G N 2.272 110.111 108.800 -1.603 0.000 2.482 102 G HA2 0.669 4.629 3.960 -0.000 0.000 0.317 102 G HA3 0.669 4.629 3.960 -0.000 0.000 0.317 102 G C -2.041 172.698 174.900 -0.268 0.000 1.241 102 G CA -1.065 43.543 45.100 -0.820 0.000 0.967 102 G HN 0.832 nan 8.290 nan 0.000 0.482 103 L N 1.245 122.517 121.223 0.083 0.000 2.346 103 L HA 0.482 4.822 4.340 -0.000 0.000 0.276 103 L C -0.892 176.009 176.870 0.051 0.000 1.006 103 L CA -0.914 53.987 54.840 0.102 0.000 0.817 103 L CB 2.168 44.333 42.059 0.177 0.000 1.272 103 L HN 0.316 nan 8.230 nan 0.000 0.421 104 I N 3.269 123.811 120.570 -0.047 0.000 2.330 104 I HA 0.248 4.418 4.170 -0.000 0.000 0.286 104 I C -0.470 175.543 176.117 -0.174 0.000 1.025 104 I CA 0.104 61.406 61.300 0.004 0.000 1.197 104 I CB 0.490 38.539 38.000 0.081 0.000 1.358 104 I HN 0.197 nan 8.210 nan 0.000 0.467 105 F N 8.154 128.123 119.950 0.032 0.000 2.421 105 F HA 0.359 4.886 4.527 -0.000 0.000 0.358 105 F C -1.591 174.198 175.800 -0.019 0.000 1.115 105 F CA -2.160 55.838 58.000 -0.004 0.000 1.160 105 F CB 0.418 39.417 39.000 -0.002 0.000 1.123 105 F HN 0.321 nan 8.300 nan 0.000 0.508 106 P HA 0.102 nan 4.420 nan 0.000 0.267 106 P C 0.734 178.057 177.300 0.038 0.000 1.205 106 P CA 0.643 63.757 63.100 0.023 0.000 0.765 106 P CB 1.037 32.713 31.700 -0.040 0.000 0.828 107 G N 2.090 110.906 108.800 0.027 0.000 2.212 107 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.266 107 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.266 107 G C 0.311 175.227 174.900 0.027 0.000 0.978 107 G CA -0.012 45.098 45.100 0.016 0.000 0.632 107 G HN 0.684 nan 8.290 nan 0.000 0.537 108 c N 3.870 122.503 118.600 0.055 0.000 2.648 108 c HA 0.468 5.038 4.570 -0.000 0.000 0.419 108 c C -0.513 173.603 174.090 0.044 0.000 1.352 108 c CA -0.775 55.583 56.329 0.048 0.000 1.816 108 c CB 0.436 42.995 42.510 0.081 0.000 2.598 108 c HN 0.513 nan 8.230 nan 0.000 0.598 109 P HA 0.095 nan 4.420 nan 0.000 0.272 109 P C -0.346 176.975 177.300 0.035 0.000 1.230 109 P CA 0.012 63.127 63.100 0.025 0.000 0.788 109 P CB 0.403 32.110 31.700 0.012 0.000 0.949 110 S N 0.302 116.023 115.700 0.035 0.000 2.549 110 S HA 0.163 4.633 4.470 -0.000 0.000 0.286 110 S C 1.262 175.881 174.600 0.030 0.000 1.314 110 S CA 0.311 58.532 58.200 0.036 0.000 1.062 110 S CB -0.237 62.980 63.200 0.029 0.000 0.865 110 S HN 0.674 nan 8.310 nan 0.000 0.498 111 T N -0.318 114.270 114.554 0.056 0.000 3.043 111 T HA 0.275 4.625 4.350 -0.000 0.000 0.272 111 T C -0.407 174.404 174.700 0.184 0.000 0.990 111 T CA -0.088 62.070 62.100 0.097 0.000 0.897 111 T CB -0.076 68.865 68.868 0.121 0.000 1.111 111 T HN 0.410 nan 8.240 nan 0.000 0.529 112 Y N 3.193 123.364 120.300 -0.215 0.000 2.331 112 Y HA 0.632 5.182 4.550 -0.000 0.000 0.338 112 Y C 0.190 175.855 175.900 -0.392 0.000 0.976 112 Y CA -2.114 55.785 58.100 -0.335 0.000 1.137 112 Y CB 1.168 39.323 38.460 -0.508 0.000 1.172 112 Y HN 0.422 nan 8.280 nan 0.000 0.478 113 E N 2.081 122.183 120.200 -0.163 0.000 2.412 113 E HA 0.610 4.960 4.350 -0.000 0.000 0.279 113 E C -1.782 174.759 176.600 -0.097 0.000 0.984 113 E CA -1.209 55.118 56.400 -0.122 0.000 0.788 113 E CB 2.747 32.401 29.700 -0.076 0.000 1.277 113 E HN 0.593 nan 8.360 nan 0.000 0.455 114 E N 0.437 120.601 120.200 -0.059 0.000 2.340 114 E HA 0.518 4.868 4.350 -0.000 0.000 0.273 114 E C -2.873 173.708 176.600 -0.032 0.000 0.891 114 E CA -2.700 53.673 56.400 -0.046 0.000 0.757 114 E CB 1.981 31.662 29.700 -0.031 0.000 1.231 114 E HN 0.157 nan 8.360 nan 0.000 0.439 115 P HA 0.035 nan 4.420 nan 0.000 0.266 115 P C -0.576 176.713 177.300 -0.019 0.000 1.195 115 P CA -0.000 63.085 63.100 -0.024 0.000 0.768 115 P CB 0.564 32.249 31.700 -0.025 0.000 0.838 116 A N 4.061 126.871 122.820 -0.016 0.000 2.561 116 A HA 0.004 4.324 4.320 -0.000 0.000 0.251 116 A C 0.529 178.105 177.584 -0.014 0.000 1.062 116 A CA 0.221 52.250 52.037 -0.013 0.000 0.761 116 A CB -0.843 18.150 19.000 -0.012 0.000 0.986 116 A HN 0.652 nan 8.150 nan 0.000 0.510 139 Q N 0.922 120.713 119.800 -0.014 0.000 2.458 139 Q HA 0.472 4.812 4.340 -0.000 0.000 0.282 139 Q C -1.458 174.534 176.000 -0.014 0.000 1.106 139 Q CA -0.438 55.357 55.803 -0.013 0.000 0.814 139 Q CB 2.035 30.767 28.738 -0.011 0.000 1.425 139 Q HN 0.549 nan 8.270 nan 0.000 0.437 140 Q N 1.237 121.029 119.800 -0.013 0.000 2.257 140 Q HA 0.193 4.533 4.340 -0.000 0.000 0.255 140 Q C -0.238 175.756 176.000 -0.010 0.000 0.920 140 Q CA -0.105 55.690 55.803 -0.014 0.000 0.927 140 Q CB 1.480 30.210 28.738 -0.013 0.000 1.229 140 Q HN 0.768 nan 8.270 nan 0.000 0.433 141 Q N 3.123 122.917 119.800 -0.010 0.000 1.967 141 Q HA 0.000 4.340 4.340 -0.000 0.000 0.196 141 Q C -0.519 175.483 176.000 0.004 0.000 0.978 141 Q CA 1.328 57.128 55.803 -0.005 0.000 0.833 141 Q CB 0.408 29.142 28.738 -0.007 0.000 0.898 141 Q HN 0.617 nan 8.270 nan 0.000 0.446 142 D N -0.943 119.465 120.400 0.013 0.000 2.601 142 D HA 0.477 5.117 4.640 -0.000 0.000 0.230 142 D C -1.734 174.583 176.300 0.029 0.000 1.106 142 D CA -0.405 53.619 54.000 0.040 0.000 0.873 142 D CB 2.133 42.979 40.800 0.076 0.000 1.515 142 D HN 0.348 nan 8.370 nan 0.000 0.468 143 S N 0.840 116.567 115.700 0.044 0.000 2.556 143 S HA 0.888 5.358 4.470 -0.000 0.000 0.271 143 S C -1.163 173.476 174.600 0.065 0.000 1.135 143 S CA -0.765 57.420 58.200 -0.025 0.000 0.858 143 S CB 1.812 65.001 63.200 -0.019 0.000 1.114 143 S HN 0.774 nan 8.310 nan 0.000 0.468 144 H N -1.232 117.879 119.070 0.068 0.000 2.950 144 H HA 0.549 5.105 4.556 -0.000 0.000 0.307 144 H C -1.218 174.132 175.328 0.036 0.000 1.403 144 H CA -0.991 55.088 56.048 0.051 0.000 1.145 144 H CB 0.266 30.051 29.762 0.039 0.000 1.844 144 H HN 0.657 nan 8.280 nan 0.000 0.515 145 Q N 0.788 120.718 119.800 0.217 0.000 2.417 145 Q HA 0.106 4.446 4.340 -0.000 0.000 0.241 145 Q C -0.188 175.750 176.000 -0.103 0.000 1.008 145 Q CA -0.591 55.257 55.803 0.075 0.000 0.901 145 Q CB 0.901 29.705 28.738 0.111 0.000 1.259 145 Q HN 0.561 nan 8.270 nan 0.000 0.489 146 K N 0.849 121.004 120.400 -0.408 0.000 2.543 146 K HA -0.066 4.254 4.320 -0.000 0.000 0.279 146 K C -1.151 174.979 176.600 -0.782 0.000 1.001 146 K CA 0.040 55.713 56.287 -1.023 0.000 1.088 146 K CB 0.286 32.388 32.500 -0.664 0.000 0.863 146 K HN 0.276 nan 8.250 nan 0.000 0.488 147 V N 5.390 124.760 119.914 -0.907 0.000 2.398 147 V HA 0.181 4.301 4.120 -0.000 0.000 0.286 147 V C -0.710 175.161 176.094 -0.371 0.000 1.026 147 V CA -0.695 61.363 62.300 -0.403 0.000 0.868 147 V CB 1.185 32.935 31.823 -0.122 0.000 0.982 147 V HN 0.784 nan 8.190 nan 0.000 0.443 148 H N 3.662 122.476 119.070 -0.426 0.000 2.458 148 H HA 0.498 5.054 4.556 0.000 0.000 0.330 148 H C 0.218 175.500 175.328 -0.076 0.000 1.111 148 H CA -0.643 55.170 56.048 -0.392 0.000 1.245 148 H CB 0.965 30.067 29.762 -1.100 0.000 1.456 148 H HN 0.433 nan 8.280 nan 0.000 0.488 149 R N 2.702 123.331 120.500 0.215 0.000 2.491 149 R HA 0.148 4.488 4.340 -0.000 0.000 0.283 149 R C -0.709 175.756 176.300 0.276 0.000 1.072 149 R CA -0.112 56.047 56.100 0.099 0.000 1.048 149 R CB 0.327 30.641 30.300 0.023 0.000 0.983 149 R HN 0.549 nan 8.270 nan 0.000 0.450 150 F N 0.584 120.636 119.950 0.169 0.000 2.579 150 F HA 0.582 5.108 4.527 -0.000 0.000 0.324 150 F C -0.532 175.275 175.800 0.012 0.000 1.058 150 F CA -1.095 57.006 58.000 0.168 0.000 0.944 150 F CB 1.527 40.669 39.000 0.236 0.000 1.245 150 F HN 0.232 nan 8.300 nan 0.000 0.477 151 N N 0.531 119.350 118.700 0.200 0.000 2.455 151 N HA 0.194 4.934 4.740 -0.000 0.000 0.278 151 N C -1.602 173.927 175.510 0.032 0.000 1.291 151 N CA -0.893 52.171 53.050 0.022 0.000 0.780 151 N CB 2.009 40.476 38.487 -0.034 0.000 1.520 151 N HN 0.765 nan 8.380 nan 0.000 0.486 152 E N -0.229 119.937 120.200 -0.056 0.000 2.529 152 E HA 0.162 4.512 4.350 -0.000 0.000 0.259 152 E C 0.795 177.256 176.600 -0.231 0.000 0.966 152 E CA 1.253 57.566 56.400 -0.145 0.000 0.937 152 E CB 0.144 29.777 29.700 -0.111 0.000 0.923 152 E HN 0.840 nan 8.360 nan 0.000 0.468 153 G N 3.343 111.865 108.800 -0.463 0.000 2.213 153 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.236 153 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.236 153 G C -0.179 174.507 174.900 -0.357 0.000 0.991 153 G CA -0.069 44.770 45.100 -0.435 0.000 0.629 153 G HN 0.575 nan 8.290 nan 0.000 0.517 154 D N 0.211 120.405 120.400 -0.342 0.000 2.382 154 D HA 0.501 5.141 4.640 -0.000 0.000 0.245 154 D C 0.198 176.380 176.300 -0.197 0.000 1.120 154 D CA 0.071 53.967 54.000 -0.173 0.000 0.890 154 D CB 1.652 42.413 40.800 -0.064 0.000 1.201 154 D HN 0.327 nan 8.370 nan 0.000 0.433 155 L N 3.387 124.595 121.223 -0.025 0.000 2.325 155 L HA 0.479 4.819 4.340 -0.000 0.000 0.281 155 L C -1.124 175.719 176.870 -0.046 0.000 1.004 155 L CA -0.373 54.497 54.840 0.049 0.000 0.823 155 L CB 0.905 43.053 42.059 0.148 0.000 1.236 155 L HN 0.284 nan 8.230 nan 0.000 0.415 156 I N 4.817 125.304 120.570 -0.139 0.000 2.441 156 I HA 0.682 4.852 4.170 -0.000 0.000 0.295 156 I C -0.042 175.957 176.117 -0.197 0.000 0.994 156 I CA -0.650 60.496 61.300 -0.258 0.000 1.144 156 I CB 1.956 39.587 38.000 -0.616 0.000 1.314 156 I HN 0.729 nan 8.210 nan 0.000 0.445 157 A N 6.202 128.948 122.820 -0.123 0.000 2.288 157 A HA 0.734 5.054 4.320 -0.000 0.000 0.320 157 A C -0.628 176.891 177.584 -0.108 0.000 1.217 157 A CA -0.470 51.530 52.037 -0.063 0.000 0.840 157 A CB 0.893 19.918 19.000 0.042 0.000 1.179 157 A HN 0.471 nan 8.150 nan 0.000 0.504 158 V N 5.572 125.389 119.914 -0.162 0.000 2.304 158 V HA 0.290 4.410 4.120 -0.000 0.000 0.278 158 V C -2.372 173.664 176.094 -0.096 0.000 1.018 158 V CA -1.586 60.587 62.300 -0.211 0.000 0.814 158 V CB 1.101 32.684 31.823 -0.401 0.000 1.021 158 V HN 0.767 nan 8.190 nan 0.000 0.440 159 P HA 0.104 nan 4.420 nan 0.000 0.270 159 P C 0.353 177.637 177.300 -0.027 0.000 1.223 159 P CA 0.039 63.147 63.100 0.013 0.000 0.785 159 P CB 0.261 32.008 31.700 0.079 0.000 0.923 160 T N 1.989 116.550 114.554 0.011 0.000 2.905 160 T HA 0.235 4.585 4.350 -0.000 0.000 0.299 160 T C 1.461 176.143 174.700 -0.030 0.000 1.024 160 T CA 1.765 63.873 62.100 0.014 0.000 1.151 160 T CB -0.764 68.122 68.868 0.030 0.000 0.987 160 T HN 0.840 nan 8.240 nan 0.000 0.535 161 G N 2.450 111.245 108.800 -0.008 0.000 2.168 161 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.263 161 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.263 161 G C 0.253 175.022 174.900 -0.219 0.000 0.977 161 G CA 0.090 45.119 45.100 -0.118 0.000 0.659 161 G HN 0.776 nan 8.290 nan 0.000 0.533 162 V N 1.307 121.116 119.914 -0.174 0.000 2.461 162 V HA 0.662 4.782 4.120 -0.000 0.000 0.275 162 V C 0.989 176.984 176.094 -0.164 0.000 1.047 162 V CA -0.200 61.929 62.300 -0.286 0.000 0.955 162 V CB 1.268 32.790 31.823 -0.502 0.000 0.988 162 V HN 0.984 nan 8.190 nan 0.000 0.471 163 A N 5.612 128.362 122.820 -0.117 0.000 2.401 163 A HA 0.644 4.964 4.320 -0.000 0.000 0.259 163 A C -0.833 176.771 177.584 0.032 0.000 1.103 163 A CA 0.004 52.053 52.037 0.020 0.000 0.789 163 A CB 0.101 19.169 19.000 0.113 0.000 1.035 163 A HN 0.740 nan 8.150 nan 0.000 0.491 164 F N 4.176 123.970 119.950 -0.261 0.000 2.556 164 F HA 0.753 5.280 4.527 -0.000 0.000 0.314 164 F C -0.890 174.905 175.800 -0.009 0.000 1.106 164 F CA -1.106 56.745 58.000 -0.250 0.000 0.911 164 F CB 1.378 40.097 39.000 -0.468 0.000 1.190 164 F HN 0.760 nan 8.300 nan 0.000 0.448 165 W N 6.727 127.710 121.300 -0.529 0.000 3.031 165 W HA 0.798 5.458 4.660 0.000 0.000 0.337 165 W C -2.613 173.544 176.519 -0.604 0.000 1.187 165 W CA -1.363 55.728 57.345 -0.424 0.000 1.166 165 W CB 1.503 30.901 29.460 -0.102 0.000 1.437 165 W HN 0.693 nan 8.180 nan 0.000 0.551 166 L N 2.471 123.711 121.223 0.027 0.000 2.422 166 L HA 0.563 4.903 4.340 -0.000 0.000 0.264 166 L C -1.766 175.412 176.870 0.514 0.000 0.984 166 L CA -0.814 54.075 54.840 0.082 0.000 0.819 166 L CB 2.955 44.974 42.059 -0.067 0.000 1.330 166 L HN 0.485 nan 8.230 nan 0.000 0.410 167 Y N 3.154 123.750 120.300 0.493 0.000 2.457 167 Y HA 0.493 5.043 4.550 0.000 0.000 0.343 167 Y C -1.037 175.078 175.900 0.358 0.000 0.994 167 Y CA -0.912 57.443 58.100 0.425 0.000 1.031 167 Y CB 1.682 40.447 38.460 0.508 0.000 1.246 167 Y HN 0.569 nan 8.280 nan 0.000 0.449 168 N N 3.941 122.415 118.700 -0.376 0.000 2.425 168 N HA 0.193 4.933 4.740 -0.000 0.000 0.268 168 N C -0.569 174.522 175.510 -0.698 0.000 0.991 168 N CA -0.490 52.361 53.050 -0.332 0.000 0.931 168 N CB 1.017 39.422 38.487 -0.137 0.000 1.130 168 N HN 0.764 nan 8.380 nan 0.000 0.493 169 D N 1.348 121.507 120.400 -0.402 0.000 2.424 169 D HA 0.092 4.732 4.640 -0.000 0.000 0.220 169 D C -0.503 175.531 176.300 -0.443 0.000 1.150 169 D CA 0.080 53.892 54.000 -0.313 0.000 0.831 169 D CB -0.216 40.587 40.800 0.007 0.000 0.981 169 D HN 0.500 nan 8.370 nan 0.000 0.500 170 H N -0.974 118.018 119.070 -0.129 0.000 2.907 170 H HA 0.252 4.808 4.556 0.000 0.000 0.361 170 H C -0.010 175.278 175.328 -0.066 0.000 1.194 170 H CA -0.751 55.247 56.048 -0.084 0.000 1.152 170 H CB 2.173 31.875 29.762 -0.099 0.000 1.867 170 H HN -0.220 nan 8.280 nan 0.000 0.561 171 D N -0.188 120.282 120.400 0.118 0.000 2.117 171 D HA -0.081 4.559 4.640 -0.000 0.000 0.197 171 D C -0.036 176.288 176.300 0.039 0.000 0.987 171 D CA 1.004 55.036 54.000 0.054 0.000 0.829 171 D CB 0.145 40.974 40.800 0.049 0.000 0.961 171 D HN 0.464 nan 8.370 nan 0.000 0.460 172 T N 1.795 116.372 114.554 0.039 0.000 2.902 172 T HA 0.019 4.369 4.350 -0.000 0.000 0.301 172 T C -0.407 174.308 174.700 0.024 0.000 1.012 172 T CA -0.274 61.839 62.100 0.022 0.000 1.151 172 T CB 0.665 69.532 68.868 -0.001 0.000 0.946 172 T HN 0.063 nan 8.240 nan 0.000 0.542 173 D N 2.182 122.598 120.400 0.027 0.000 2.443 173 D HA 0.130 4.770 4.640 -0.000 0.000 0.239 173 D C 0.147 176.467 176.300 0.034 0.000 1.136 173 D CA -0.116 53.897 54.000 0.022 0.000 0.879 173 D CB 0.636 41.449 40.800 0.023 0.000 1.195 173 D HN 0.145 nan 8.370 nan 0.000 0.443 174 V N 2.558 122.498 119.914 0.044 0.000 2.546 174 V HA 0.242 4.362 4.120 -0.000 0.000 0.284 174 V C 0.275 176.392 176.094 0.038 0.000 1.050 174 V CA -0.434 61.923 62.300 0.095 0.000 0.981 174 V CB 1.651 33.600 31.823 0.209 0.000 0.990 174 V HN 0.226 nan 8.190 nan 0.000 0.474 175 V N 4.193 124.131 119.914 0.039 0.000 2.531 175 V HA 0.825 4.945 4.120 -0.000 0.000 0.301 175 V C 0.053 176.157 176.094 0.016 0.000 1.034 175 V CA -0.515 61.800 62.300 0.025 0.000 0.865 175 V CB 1.628 33.497 31.823 0.076 0.000 0.995 175 V HN 0.980 nan 8.190 nan 0.000 0.424 176 A N 4.414 127.234 122.820 0.001 0.000 2.356 176 A HA 0.897 5.217 4.320 -0.000 0.000 0.310 176 A C -1.016 176.591 177.584 0.039 0.000 1.075 176 A CA -0.585 51.443 52.037 -0.015 0.000 0.746 176 A CB 1.853 20.814 19.000 -0.065 0.000 1.221 176 A HN 0.654 nan 8.150 nan 0.000 0.443 177 V N 1.873 121.846 119.914 0.099 0.000 2.417 177 V HA 0.521 4.641 4.120 -0.000 0.000 0.291 177 V C 0.190 176.331 176.094 0.078 0.000 1.024 177 V CA -0.326 62.004 62.300 0.051 0.000 0.861 177 V CB 1.690 33.463 31.823 -0.084 0.000 0.985 177 V HN 0.852 nan 8.190 nan 0.000 0.436 178 S N 4.964 120.628 115.700 -0.060 0.000 2.474 178 S HA 0.619 5.089 4.470 -0.000 0.000 0.321 178 S C -0.605 173.794 174.600 -0.335 0.000 1.080 178 S CA -0.346 57.779 58.200 -0.124 0.000 1.106 178 S CB 1.115 64.311 63.200 -0.006 0.000 0.984 178 S HN 0.603 nan 8.310 nan 0.000 0.464 179 L N 4.461 125.344 121.223 -0.567 0.000 2.272 179 L HA 0.548 4.888 4.340 -0.000 0.000 0.289 179 L C -0.374 176.317 176.870 -0.299 0.000 1.032 179 L CA 0.199 54.673 54.840 -0.610 0.000 0.810 179 L CB 1.315 42.774 42.059 -1.000 0.000 1.205 179 L HN 0.478 nan 8.230 nan 0.000 0.422 180 T N 3.121 117.541 114.554 -0.223 0.000 2.772 180 T HA 0.178 4.528 4.350 -0.000 0.000 0.288 180 T C -0.717 173.900 174.700 -0.139 0.000 0.994 180 T CA -0.240 61.775 62.100 -0.142 0.000 0.951 180 T CB 0.684 69.471 68.868 -0.135 0.000 0.933 180 T HN 0.488 nan 8.240 nan 0.000 0.447 181 D N 2.802 123.153 120.400 -0.081 0.000 2.517 181 D HA 0.161 4.801 4.640 -0.000 0.000 0.220 181 D C 1.291 177.571 176.300 -0.032 0.000 1.158 181 D CA -0.140 53.831 54.000 -0.047 0.000 0.992 181 D CB 0.506 41.301 40.800 -0.007 0.000 1.058 181 D HN 0.375 nan 8.370 nan 0.000 0.516 182 T N 1.909 116.427 114.554 -0.060 0.000 2.833 182 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 182 T C 1.284 175.982 174.700 -0.004 0.000 1.054 182 T CA 0.963 63.035 62.100 -0.047 0.000 1.135 182 T CB 0.003 68.822 68.868 -0.082 0.000 0.869 182 T HN 0.300 nan 8.240 nan 0.000 0.466 183 N N 1.224 119.926 118.700 0.004 0.000 2.398 183 N HA 0.082 4.822 4.740 -0.000 0.000 0.188 183 N C 0.340 175.880 175.510 0.051 0.000 1.122 183 N CA -0.061 53.007 53.050 0.029 0.000 0.866 183 N CB -0.290 38.215 38.487 0.030 0.000 0.970 183 N HN 0.342 nan 8.380 nan 0.000 0.462 184 N N 1.190 119.921 118.700 0.051 0.000 2.458 184 N HA -0.034 4.706 4.740 -0.000 0.000 0.258 184 N C 0.410 175.971 175.510 0.085 0.000 1.219 184 N CA 0.212 53.307 53.050 0.076 0.000 0.902 184 N CB 0.508 39.035 38.487 0.068 0.000 1.076 184 N HN 0.054 nan 8.380 nan 0.000 0.455 185 N N 2.059 120.829 118.700 0.117 0.000 2.550 185 N HA -0.076 4.664 4.740 -0.000 0.000 0.186 185 N C 0.248 175.802 175.510 0.074 0.000 1.110 185 N CA 0.450 53.558 53.050 0.097 0.000 0.912 185 N CB 0.071 38.627 38.487 0.113 0.000 0.968 185 N HN 0.571 nan 8.380 nan 0.000 0.448 186 D N -0.039 120.411 120.400 0.084 0.000 2.264 186 D HA -0.105 4.535 4.640 -0.000 0.000 0.208 186 D C 0.446 176.777 176.300 0.051 0.000 0.966 186 D CA 0.637 54.677 54.000 0.067 0.000 0.864 186 D CB -0.225 40.624 40.800 0.081 0.000 0.933 186 D HN 0.185 nan 8.370 nan 0.000 0.499 187 N N 1.431 120.162 118.700 0.052 0.000 2.415 187 N HA -0.005 4.735 4.740 -0.000 0.000 0.246 187 N C 0.322 175.859 175.510 0.046 0.000 1.078 187 N CA 0.115 53.194 53.050 0.048 0.000 0.942 187 N CB 0.585 39.097 38.487 0.042 0.000 1.140 187 N HN -0.062 nan 8.380 nan 0.000 0.501 188 Q N 2.382 122.208 119.800 0.043 0.000 2.319 188 Q HA 0.219 4.559 4.340 -0.000 0.000 0.202 188 Q C 0.075 176.104 176.000 0.048 0.000 0.896 188 Q CA 0.129 55.956 55.803 0.040 0.000 0.942 188 Q CB 0.493 29.249 28.738 0.030 0.000 1.083 188 Q HN 0.577 nan 8.270 nan 0.000 0.510 189 L N 0.456 121.714 121.223 0.058 0.000 2.544 189 L HA 0.233 4.573 4.340 -0.000 0.000 0.256 189 L C 0.426 177.336 176.870 0.067 0.000 1.097 189 L CA -1.065 53.816 54.840 0.069 0.000 0.812 189 L CB 0.381 42.493 42.059 0.088 0.000 1.440 189 L HN 0.100 nan 8.230 nan 0.000 0.496 190 D N -1.324 119.125 120.400 0.081 0.000 2.393 190 D HA 0.007 4.647 4.640 -0.000 0.000 0.246 190 D C -0.428 175.928 176.300 0.092 0.000 1.275 190 D CA -0.358 53.693 54.000 0.085 0.000 0.979 190 D CB 0.272 41.133 40.800 0.102 0.000 1.101 190 D HN 0.383 nan 8.370 nan 0.000 0.505 191 Q N -0.567 119.286 119.800 0.089 0.000 2.938 191 Q HA 0.158 4.498 4.340 -0.000 0.000 0.343 191 Q C -1.019 175.060 176.000 0.132 0.000 1.185 191 Q CA -0.395 55.452 55.803 0.074 0.000 0.939 191 Q CB -0.309 28.453 28.738 0.041 0.000 1.480 191 Q HN 0.362 nan 8.270 nan 0.000 0.442 192 F N 2.913 122.852 119.950 -0.018 0.000 2.402 192 F HA 0.460 4.987 4.527 -0.000 0.000 0.355 192 F C -2.687 173.087 175.800 -0.043 0.000 1.123 192 F CA -3.675 54.309 58.000 -0.027 0.000 1.021 192 F CB 1.264 40.267 39.000 0.004 0.000 1.160 192 F HN 0.001 nan 8.300 nan 0.000 0.451 193 P HA 0.229 nan 4.420 nan 0.000 0.279 193 P C -0.847 176.298 177.300 -0.259 0.000 1.318 193 P CA 0.027 63.027 63.100 -0.167 0.000 0.819 193 P CB 0.366 31.843 31.700 -0.373 0.000 0.927 194 R N 2.876 123.089 120.500 -0.477 0.000 2.532 194 R HA 0.564 4.904 4.340 -0.000 0.000 0.272 194 R C 0.148 176.332 176.300 -0.193 0.000 1.032 194 R CA -0.718 55.000 56.100 -0.637 0.000 1.089 194 R CB 0.973 30.741 30.300 -0.885 0.000 1.098 194 R HN 0.272 nan 8.270 nan 0.000 0.526 195 R N 1.419 121.790 120.500 -0.215 0.000 2.409 195 R HA 0.268 4.608 4.340 -0.000 0.000 0.313 195 R C -1.324 174.854 176.300 -0.203 0.000 0.953 195 R CA -0.289 55.784 56.100 -0.045 0.000 0.849 195 R CB 0.694 30.926 30.300 -0.113 0.000 1.171 195 R HN 0.399 nan 8.270 nan 0.000 0.458 196 F N 2.565 122.338 119.950 -0.295 0.000 2.377 196 F HA 0.323 4.850 4.527 -0.000 0.000 0.360 196 F C 0.507 176.126 175.800 -0.302 0.000 1.147 196 F CA -0.499 57.200 58.000 -0.501 0.000 1.170 196 F CB 0.481 38.732 39.000 -1.249 0.000 1.339 196 F HN 0.243 nan 8.300 nan 0.000 0.552 197 N N 4.379 123.083 118.700 0.007 0.000 2.458 197 N HA 0.156 4.896 4.740 -0.000 0.000 0.270 197 N C 1.074 176.668 175.510 0.141 0.000 1.102 197 N CA -0.206 52.915 53.050 0.119 0.000 0.967 197 N CB 1.770 40.265 38.487 0.013 0.000 1.078 197 N HN 0.611 nan 8.380 nan 0.000 0.471 198 L N 0.636 122.004 121.223 0.242 0.000 2.395 198 L HA 0.093 4.433 4.340 -0.000 0.000 0.218 198 L C 0.869 177.955 176.870 0.359 0.000 1.130 198 L CA 0.664 55.679 54.840 0.291 0.000 0.826 198 L CB -0.219 42.054 42.059 0.357 0.000 0.941 198 L HN 0.505 nan 8.230 nan 0.000 0.451 199 A N -1.488 121.482 122.820 0.251 0.000 2.593 199 A HA 0.685 5.005 4.320 -0.000 0.000 0.290 199 A C 0.019 177.688 177.584 0.143 0.000 1.126 199 A CA 0.132 52.288 52.037 0.199 0.000 0.695 199 A CB 1.272 20.372 19.000 0.167 0.000 1.290 199 A HN 0.247 nan 8.150 nan 0.000 0.414 200 G N -1.309 107.562 108.800 0.120 0.000 2.760 200 G HA2 0.439 4.399 3.960 -0.000 0.000 0.246 200 G HA3 0.439 4.399 3.960 -0.000 0.000 0.246 200 G C -0.173 174.738 174.900 0.019 0.000 1.359 200 G CA 0.428 45.603 45.100 0.125 0.000 0.861 200 G HN 2.564 nan 8.290 nan 0.000 0.541 201 N N -0.364 118.344 118.700 0.014 0.000 2.605 201 N HA 0.629 5.369 4.740 -0.000 0.000 0.265 201 N C -0.192 175.314 175.510 -0.007 0.000 1.625 201 N CA 1.062 54.092 53.050 -0.032 0.000 0.862 201 N CB 0.003 38.500 38.487 0.016 0.000 1.415 201 N HN 1.654 nan 8.380 nan 0.000 0.513 202 H N -2.648 116.420 119.070 -0.002 0.000 2.927 202 H HA 0.692 5.248 4.556 0.000 0.000 0.316 202 H C -0.046 175.263 175.328 -0.032 0.000 1.403 202 H CA -0.779 55.259 56.048 -0.018 0.000 1.288 202 H CB 0.511 30.262 29.762 -0.017 0.000 1.944 202 H HN 0.211 nan 8.280 nan 0.000 0.629 203 E N 0.843 121.177 120.200 0.223 0.000 2.415 203 E HA -0.039 4.311 4.350 -0.000 0.000 0.260 203 E C -0.487 176.202 176.600 0.148 0.000 1.016 203 E CA -0.295 56.169 56.400 0.107 0.000 0.924 203 E CB 0.464 30.188 29.700 0.039 0.000 0.961 203 E HN 0.497 nan 8.360 nan 0.000 0.459 204 Q N 3.129 122.956 119.800 0.045 0.000 2.274 204 Q HA -0.071 4.269 4.340 -0.000 0.000 0.280 204 Q C 0.460 176.482 176.000 0.038 0.000 1.047 204 Q CA -0.211 55.622 55.803 0.050 0.000 0.907 204 Q CB 0.836 29.622 28.738 0.080 0.000 1.171 204 Q HN 0.646 nan 8.270 nan 0.000 0.381 205 E N 2.127 122.319 120.200 -0.013 0.000 2.086 205 E HA -0.232 4.118 4.350 -0.000 0.000 0.205 205 E C 0.584 177.039 176.600 -0.243 0.000 1.027 205 E CA 1.863 58.152 56.400 -0.184 0.000 0.830 205 E CB -0.168 29.364 29.700 -0.281 0.000 0.751 205 E HN 0.588 nan 8.360 nan 0.000 0.456 206 F N -0.097 119.964 119.950 0.185 0.000 2.660 206 F HA 0.264 4.791 4.527 -0.000 0.000 0.302 206 F C 1.668 177.553 175.800 0.142 0.000 1.103 206 F CA -0.241 57.936 58.000 0.296 0.000 1.340 206 F CB 0.086 39.310 39.000 0.373 0.000 1.048 206 F HN -0.036 nan 8.300 nan 0.000 0.551 207 L N 1.134 122.436 121.223 0.133 0.000 2.046 207 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 207 L C 2.812 179.557 176.870 -0.209 0.000 1.077 207 L CA 1.387 56.171 54.840 -0.093 0.000 0.747 207 L CB -0.297 41.742 42.059 -0.033 0.000 0.896 207 L HN 0.251 nan 8.230 nan 0.000 0.432 208 R N -1.143 119.186 120.500 -0.286 0.000 2.261 208 R HA -0.230 4.110 4.340 -0.000 0.000 0.236 208 R C 1.472 177.540 176.300 -0.387 0.000 1.141 208 R CA 1.749 57.611 56.100 -0.397 0.000 1.001 208 R CB -0.751 29.220 30.300 -0.548 0.000 0.866 208 R HN 0.390 nan 8.270 nan 0.000 0.468 209 Y N 1.052 121.319 120.300 -0.055 0.000 2.500 209 Y HA 0.192 4.742 4.550 0.000 0.000 0.270 209 Y C 0.769 176.602 175.900 -0.113 0.000 1.134 209 Y CA -0.330 57.746 58.100 -0.040 0.000 1.293 209 Y CB 0.044 38.532 38.460 0.046 0.000 1.063 209 Y HN -0.031 nan 8.280 nan 0.000 0.534 210 Q N 1.281 121.008 119.800 -0.121 0.000 2.394 210 Q HA 0.068 4.408 4.340 -0.000 0.000 0.248 210 Q C 0.242 176.170 176.000 -0.120 0.000 0.992 210 Q CA 0.029 55.702 55.803 -0.218 0.000 0.888 210 Q CB 0.621 29.052 28.738 -0.511 0.000 1.257 210 Q HN 0.436 nan 8.270 nan 0.000 0.462 261 N N -0.698 117.973 118.700 -0.047 0.000 2.405 261 N HA 0.449 5.189 4.740 -0.000 0.000 0.269 261 N C 1.294 176.821 175.510 0.028 0.000 1.249 261 N CA -0.658 52.391 53.050 -0.003 0.000 0.974 261 N CB 1.059 39.600 38.487 0.090 0.000 1.204 261 N HN 0.353 nan 8.380 nan 0.000 0.565 262 I N -0.933 119.648 120.570 0.018 0.000 2.208 262 I HA -0.101 4.069 4.170 -0.000 0.000 0.245 262 I C 1.232 177.378 176.117 0.047 0.000 1.097 262 I CA 1.340 62.631 61.300 -0.014 0.000 1.363 262 I CB -0.404 37.571 38.000 -0.042 0.000 1.051 262 I HN 0.567 nan 8.210 nan 0.000 0.413 263 F N 0.080 120.204 119.950 0.291 0.000 2.325 263 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 263 F C 2.828 178.794 175.800 0.277 0.000 1.090 263 F CA 1.177 59.410 58.000 0.389 0.000 1.392 263 F CB -1.233 37.927 39.000 0.267 0.000 1.053 263 F HN 0.209 nan 8.300 nan 0.000 0.521 264 S N -0.387 115.486 115.700 0.289 0.000 2.453 264 S HA -0.030 4.440 4.470 -0.000 0.000 0.231 264 S C 2.247 176.890 174.600 0.071 0.000 1.005 264 S CA 0.990 59.285 58.200 0.158 0.000 0.949 264 S CB -0.940 62.310 63.200 0.083 0.000 0.774 264 S HN 0.310 nan 8.310 nan 0.000 0.510 265 G N -0.159 108.623 108.800 -0.030 0.000 2.712 265 G HA2 0.232 4.192 3.960 -0.000 0.000 0.212 265 G HA3 0.232 4.192 3.960 -0.000 0.000 0.212 265 G C 0.096 174.820 174.900 -0.295 0.000 1.142 265 G CA -0.238 44.742 45.100 -0.200 0.000 0.789 265 G HN 0.466 nan 8.290 nan 0.000 0.535 266 F N 1.490 121.504 119.950 0.106 0.000 2.379 266 F HA 0.402 4.929 4.527 -0.000 0.000 0.332 266 F C 1.238 177.076 175.800 0.063 0.000 1.096 266 F CA -0.950 57.108 58.000 0.096 0.000 1.105 266 F CB 1.078 40.221 39.000 0.238 0.000 1.189 266 F HN -0.119 nan 8.300 nan 0.000 0.515 267 T N -0.275 114.382 114.554 0.173 0.000 2.898 267 T HA 0.184 4.534 4.350 -0.000 0.000 0.301 267 T C -2.068 172.742 174.700 0.184 0.000 1.049 267 T CA -1.570 60.581 62.100 0.085 0.000 1.095 267 T CB 1.218 70.057 68.868 -0.049 0.000 0.976 267 T HN 0.294 nan 8.240 nan 0.000 0.539 268 P HA -0.138 nan 4.420 nan 0.000 0.218 268 P C 1.409 178.814 177.300 0.175 0.000 1.148 268 P CA 1.311 64.497 63.100 0.144 0.000 0.822 268 P CB 0.022 31.776 31.700 0.090 0.000 0.784 269 E N -1.668 118.646 120.200 0.189 0.000 2.152 269 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 269 E C 1.490 178.293 176.600 0.338 0.000 0.983 269 E CA 1.026 57.560 56.400 0.223 0.000 0.818 269 E CB -1.337 28.481 29.700 0.197 0.000 0.758 269 E HN 0.080 nan 8.360 nan 0.000 0.467 270 F N 0.912 120.921 119.950 0.099 0.000 2.102 270 F HA -0.020 4.507 4.527 -0.000 0.000 0.298 270 F C 1.901 177.739 175.800 0.064 0.000 1.105 270 F CA 0.867 58.912 58.000 0.075 0.000 1.239 270 F CB -0.565 38.504 39.000 0.115 0.000 0.991 270 F HN 0.041 nan 8.300 nan 0.000 0.474 271 L N -0.526 120.892 121.223 0.326 0.000 2.156 271 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 271 L C 2.558 179.595 176.870 0.278 0.000 1.095 271 L CA 1.461 56.494 54.840 0.320 0.000 0.770 271 L CB -1.509 40.744 42.059 0.323 0.000 0.914 271 L HN 0.057 nan 8.230 nan 0.000 0.439 272 A N -0.725 122.203 122.820 0.181 0.000 1.898 272 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 272 A C 2.352 179.993 177.584 0.095 0.000 1.181 272 A CA 1.718 53.832 52.037 0.128 0.000 0.620 272 A CB -0.547 18.508 19.000 0.091 0.000 0.819 272 A HN 0.485 nan 8.150 nan 0.000 0.442 273 Q N -0.583 119.253 119.800 0.060 0.000 2.050 273 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 273 Q C 2.231 178.191 176.000 -0.066 0.000 0.980 273 Q CA 1.586 57.379 55.803 -0.017 0.000 0.840 273 Q CB -0.361 28.334 28.738 -0.071 0.000 0.898 273 Q HN 0.593 nan 8.270 nan 0.000 0.424 274 A N -0.280 122.483 122.820 -0.095 0.000 1.908 274 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 274 A C 1.430 178.795 177.584 -0.365 0.000 1.181 274 A CA 1.408 53.286 52.037 -0.264 0.000 0.627 274 A CB -0.554 18.246 19.000 -0.333 0.000 0.818 274 A HN 0.504 nan 8.150 nan 0.000 0.445 275 F N -0.865 119.053 119.950 -0.053 0.000 2.678 275 F HA 0.174 4.701 4.527 -0.000 0.000 0.305 275 F C 0.464 176.237 175.800 -0.046 0.000 1.090 275 F CA 0.190 58.157 58.000 -0.056 0.000 1.272 275 F CB 0.372 39.325 39.000 -0.080 0.000 1.060 275 F HN 0.193 nan 8.300 nan 0.000 0.576 276 Q N 0.963 120.816 119.800 0.089 0.000 2.439 276 Q HA -0.165 4.175 4.340 -0.000 0.000 0.325 276 Q C -0.551 175.487 176.000 0.063 0.000 1.372 276 Q CA 0.691 56.524 55.803 0.049 0.000 0.909 276 Q CB -2.234 26.515 28.738 0.018 0.000 1.167 276 Q HN 0.329 nan 8.270 nan 0.000 0.418 277 V N -4.208 115.754 119.914 0.080 0.000 2.448 277 V HA 0.662 4.782 4.120 -0.000 0.000 0.295 277 V C 0.866 176.979 176.094 0.033 0.000 1.025 277 V CA 0.232 62.557 62.300 0.043 0.000 0.859 277 V CB 1.679 33.512 31.823 0.017 0.000 0.988 277 V HN 0.231 nan 8.190 nan 0.000 0.431 278 D N 2.462 122.873 120.400 0.019 0.000 2.249 278 D HA -0.074 4.566 4.640 -0.000 0.000 0.205 278 D C 0.824 177.130 176.300 0.010 0.000 0.962 278 D CA 0.849 54.859 54.000 0.017 0.000 0.860 278 D CB 0.023 40.830 40.800 0.012 0.000 0.955 278 D HN 0.806 nan 8.370 nan 0.000 0.505 279 D N -0.237 120.163 120.400 -0.001 0.000 2.346 279 D HA 0.052 4.692 4.640 -0.000 0.000 0.267 279 D C 1.348 177.641 176.300 -0.011 0.000 1.320 279 D CA -0.249 53.745 54.000 -0.009 0.000 0.951 279 D CB 0.918 41.706 40.800 -0.020 0.000 1.079 279 D HN 0.319 nan 8.370 nan 0.000 0.509 280 R N 3.153 123.652 120.500 -0.002 0.000 2.193 280 R HA -0.203 4.137 4.340 -0.000 0.000 0.229 280 R C 1.785 178.080 176.300 -0.009 0.000 1.110 280 R CA 1.574 57.676 56.100 0.003 0.000 0.988 280 R CB 0.066 30.373 30.300 0.012 0.000 0.871 280 R HN 0.372 nan 8.270 nan 0.000 0.458 281 Q N 0.092 119.882 119.800 -0.017 0.000 2.331 281 Q HA 0.036 4.376 4.340 -0.000 0.000 0.203 281 Q C 1.626 177.598 176.000 -0.046 0.000 0.944 281 Q CA 1.125 56.913 55.803 -0.025 0.000 0.892 281 Q CB 0.020 28.745 28.738 -0.021 0.000 0.983 281 Q HN 0.499 nan 8.270 nan 0.000 0.482 282 I N -0.689 119.845 120.570 -0.059 0.000 2.179 282 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 282 I C 1.876 177.913 176.117 -0.133 0.000 1.088 282 I CA 0.882 62.122 61.300 -0.100 0.000 1.357 282 I CB -0.217 37.720 38.000 -0.105 0.000 1.051 282 I HN 0.092 nan 8.210 nan 0.000 0.409 283 V N 0.350 120.204 119.914 -0.100 0.000 2.515 283 V HA -0.256 3.864 4.120 -0.000 0.000 0.250 283 V C 2.385 178.447 176.094 -0.054 0.000 1.058 283 V CA 1.604 63.849 62.300 -0.092 0.000 1.064 283 V CB -0.572 31.241 31.823 -0.018 0.000 0.675 283 V HN 0.462 nan 8.190 nan 0.000 0.461 284 Q N -0.228 119.552 119.800 -0.034 0.000 2.084 284 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 284 Q C 2.159 178.144 176.000 -0.025 0.000 0.978 284 Q CA 1.896 57.690 55.803 -0.015 0.000 0.844 284 Q CB -0.195 28.536 28.738 -0.011 0.000 0.898 284 Q HN 0.610 nan 8.270 nan 0.000 0.426 285 N N 0.556 119.226 118.700 -0.051 0.000 2.109 285 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 285 N C 1.628 177.098 175.510 -0.067 0.000 1.034 285 N CA 0.599 53.618 53.050 -0.052 0.000 0.846 285 N CB -0.387 38.059 38.487 -0.067 0.000 1.010 285 N HN 0.115 nan 8.380 nan 0.000 0.425 286 L N 1.078 122.219 121.223 -0.138 0.000 2.030 286 L HA -0.271 4.069 4.340 -0.000 0.000 0.222 286 L C 1.682 178.529 176.870 -0.038 0.000 1.082 286 L CA 1.671 56.385 54.840 -0.211 0.000 0.785 286 L CB -0.162 41.649 42.059 -0.412 0.000 0.895 286 L HN 0.298 nan 8.230 nan 0.000 0.439 287 R N -0.431 120.079 120.500 0.016 0.000 2.339 287 R HA -0.005 4.335 4.340 -0.000 0.000 0.199 287 R C 1.257 177.601 176.300 0.074 0.000 1.018 287 R CA 0.684 56.844 56.100 0.099 0.000 1.036 287 R CB -0.256 30.103 30.300 0.098 0.000 0.899 287 R HN 0.663 nan 8.270 nan 0.000 0.473 288 G N 1.505 110.332 108.800 0.044 0.000 2.143 288 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.248 288 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.248 288 G C 0.516 175.431 174.900 0.025 0.000 0.991 288 G CA 0.438 45.561 45.100 0.038 0.000 0.689 288 G HN 0.441 nan 8.290 nan 0.000 0.522 289 E N 0.354 120.565 120.200 0.018 0.000 2.274 289 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 289 E C 2.022 178.628 176.600 0.009 0.000 0.996 289 E CA 0.829 57.236 56.400 0.013 0.000 0.840 289 E CB -0.092 29.615 29.700 0.011 0.000 0.772 289 E HN 0.735 nan 8.360 nan 0.000 0.491 290 N N 1.272 119.976 118.700 0.006 0.000 2.413 290 N HA -0.079 4.661 4.740 -0.000 0.000 0.207 290 N C -0.459 175.056 175.510 0.009 0.000 1.206 290 N CA 0.345 53.397 53.050 0.003 0.000 0.832 290 N CB -0.039 38.446 38.487 -0.004 0.000 1.037 290 N HN 0.283 nan 8.380 nan 0.000 0.467 291 E N -1.351 118.858 120.200 0.015 0.000 2.388 291 E HA 0.324 4.674 4.350 -0.000 0.000 0.280 291 E C -1.403 175.212 176.600 0.025 0.000 1.019 291 E CA -0.989 55.424 56.400 0.022 0.000 0.806 291 E CB 0.820 30.539 29.700 0.032 0.000 1.246 291 E HN 0.064 nan 8.360 nan 0.000 0.443 292 S N 1.031 116.746 115.700 0.025 0.000 2.632 292 S HA 0.176 4.646 4.470 -0.000 0.000 0.267 292 S C 0.784 175.408 174.600 0.040 0.000 1.276 292 S CA -0.697 57.517 58.200 0.024 0.000 0.998 292 S CB 1.172 64.381 63.200 0.016 0.000 0.953 292 S HN 0.667 nan 8.310 nan 0.000 0.547 293 E N 0.295 120.517 120.200 0.037 0.000 2.393 293 E HA -0.134 4.216 4.350 -0.000 0.000 0.201 293 E C 0.390 177.021 176.600 0.051 0.000 1.025 293 E CA 0.790 57.224 56.400 0.057 0.000 0.856 293 E CB 0.021 29.741 29.700 0.032 0.000 0.771 293 E HN 0.557 nan 8.360 nan 0.000 0.526 294 E N 0.062 120.279 120.200 0.029 0.000 2.496 294 E HA 0.029 4.379 4.350 -0.000 0.000 0.202 294 E C 0.719 177.328 176.600 0.014 0.000 1.021 294 E CA 0.044 56.452 56.400 0.012 0.000 1.015 294 E CB 0.735 30.436 29.700 0.002 0.000 1.102 294 E HN 0.154 nan 8.360 nan 0.000 0.452 295 Q N -0.228 119.589 119.800 0.029 0.000 2.339 295 Q HA 0.183 4.523 4.340 -0.000 0.000 0.205 295 Q C 0.896 176.900 176.000 0.007 0.000 0.925 295 Q CA 0.743 56.562 55.803 0.027 0.000 0.898 295 Q CB 0.517 29.281 28.738 0.043 0.000 1.013 295 Q HN 0.386 nan 8.270 nan 0.000 0.504 296 G N -0.090 108.705 108.800 -0.009 0.000 2.752 296 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.234 296 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.234 296 G C 0.655 175.361 174.900 -0.324 0.000 1.367 296 G CA 0.009 44.996 45.100 -0.189 0.000 0.879 296 G HN 0.510 nan 8.290 nan 0.000 0.563 297 A N -0.758 121.658 122.820 -0.674 0.000 2.019 297 A HA 0.364 4.684 4.320 -0.000 0.000 0.219 297 A C 1.329 178.876 177.584 -0.062 0.000 1.164 297 A CA 1.764 53.570 52.037 -0.385 0.000 0.644 297 A CB -0.206 18.574 19.000 -0.367 0.000 0.805 297 A HN 0.984 nan 8.150 nan 0.000 0.449 298 I N 0.680 121.215 120.570 -0.058 0.000 2.378 298 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 298 I C -0.375 175.761 176.117 0.031 0.000 0.992 298 I CA -0.921 60.389 61.300 0.017 0.000 1.154 298 I CB 2.039 40.042 38.000 0.004 0.000 1.315 298 I HN 0.085 nan 8.210 nan 0.000 0.448 299 V N 1.632 121.583 119.914 0.062 0.000 2.769 299 V HA 0.651 4.771 4.120 -0.000 0.000 0.312 299 V C -0.032 176.108 176.094 0.076 0.000 1.058 299 V CA -0.352 61.983 62.300 0.059 0.000 0.952 299 V CB 1.694 33.549 31.823 0.053 0.000 1.019 299 V HN 0.659 nan 8.190 nan 0.000 0.445 300 T N 2.888 117.480 114.554 0.063 0.000 2.837 300 T HA 0.548 4.898 4.350 -0.000 0.000 0.285 300 T C -0.207 174.544 174.700 0.085 0.000 0.984 300 T CA -0.248 61.898 62.100 0.077 0.000 1.049 300 T CB 1.382 70.281 68.868 0.052 0.000 0.947 300 T HN 0.704 nan 8.240 nan 0.000 0.472 301 V N 4.521 124.515 119.914 0.134 0.000 2.334 301 V HA 0.322 4.442 4.120 -0.000 0.000 0.267 301 V C 0.714 176.859 176.094 0.084 0.000 1.040 301 V CA -0.760 61.603 62.300 0.106 0.000 0.866 301 V CB 0.499 32.402 31.823 0.133 0.000 1.019 301 V HN 0.693 nan 8.190 nan 0.000 0.468 302 R N 3.715 124.242 120.500 0.045 0.000 2.449 302 R HA 0.401 4.741 4.340 -0.000 0.000 0.296 302 R C 1.329 177.647 176.300 0.030 0.000 1.047 302 R CA 1.172 57.292 56.100 0.034 0.000 1.018 302 R CB 0.116 30.427 30.300 0.019 0.000 0.962 302 R HN 1.057 nan 8.270 nan 0.000 0.428 303 G N 2.268 111.089 108.800 0.036 0.000 2.205 303 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.261 303 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.261 303 G C 0.494 175.423 174.900 0.048 0.000 0.980 303 G CA -0.050 45.069 45.100 0.031 0.000 0.632 303 G HN 1.452 nan 8.290 nan 0.000 0.533 304 G N -1.215 107.636 108.800 0.085 0.000 2.733 304 G HA2 0.075 4.035 3.960 -0.000 0.000 0.686 304 G HA3 0.075 4.035 3.960 -0.000 0.000 0.686 304 G C -0.204 174.721 174.900 0.041 0.000 1.373 304 G CA -0.191 45.003 45.100 0.157 0.000 0.838 304 G HN 1.206 nan 8.290 nan 0.000 0.588 305 L N 0.680 121.866 121.223 -0.061 0.000 2.380 305 L HA 0.472 4.812 4.340 -0.000 0.000 0.273 305 L C 1.099 177.848 176.870 -0.202 0.000 1.138 305 L CA -0.322 54.324 54.840 -0.324 0.000 0.832 305 L CB 0.743 42.252 42.059 -0.917 0.000 1.124 305 L HN 0.626 nan 8.230 nan 0.000 0.454 306 R N 5.260 125.652 120.500 -0.180 0.000 2.343 306 R HA 0.576 4.916 4.340 -0.000 0.000 0.320 306 R C -0.612 175.581 176.300 -0.178 0.000 0.956 306 R CA -0.423 55.596 56.100 -0.135 0.000 0.836 306 R CB 1.449 31.703 30.300 -0.076 0.000 1.151 306 R HN 0.461 nan 8.270 nan 0.000 0.450 307 I N -0.600 119.857 120.570 -0.188 0.000 3.074 307 I HA 0.436 4.606 4.170 -0.000 0.000 0.310 307 I C -1.073 175.023 176.117 -0.035 0.000 1.153 307 I CA -1.235 59.963 61.300 -0.169 0.000 0.993 307 I CB 1.607 39.423 38.000 -0.306 0.000 1.237 307 I HN 0.307 nan 8.210 nan 0.000 0.443 308 L N 2.668 124.016 121.223 0.208 0.000 2.361 308 L HA 0.514 4.854 4.340 -0.000 0.000 0.278 308 L C 0.420 177.456 176.870 0.277 0.000 1.113 308 L CA 0.625 55.606 54.840 0.235 0.000 0.849 308 L CB 0.175 42.394 42.059 0.266 0.000 1.155 308 L HN 0.895 nan 8.230 nan 0.000 0.452 309 S N 4.701 120.471 115.700 0.116 0.000 2.604 309 S HA 0.648 5.118 4.470 -0.000 0.000 0.296 309 S C -2.471 172.177 174.600 0.080 0.000 1.097 309 S CA -0.896 57.399 58.200 0.159 0.000 0.883 309 S CB 1.162 64.455 63.200 0.155 0.000 1.081 309 S HN 0.603 nan 8.310 nan 0.000 0.448 347 I N -0.761 119.795 120.570 -0.024 0.000 2.676 347 I HA 0.185 4.355 4.170 -0.000 0.000 0.259 347 I C 1.904 178.001 176.117 -0.033 0.000 1.194 347 I CA 1.910 63.190 61.300 -0.033 0.000 1.473 347 I CB -0.351 37.628 38.000 -0.034 0.000 1.096 347 I HN 0.427 nan 8.210 nan 0.000 0.443 348 E N 1.855 122.043 120.200 -0.021 0.000 2.047 348 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 348 E C 1.952 178.544 176.600 -0.013 0.000 0.987 348 E CA 1.511 57.903 56.400 -0.013 0.000 0.799 348 E CB -0.388 29.311 29.700 -0.002 0.000 0.752 348 E HN 0.738 nan 8.360 nan 0.000 0.449 349 E N 1.030 121.223 120.200 -0.011 0.000 2.465 349 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 349 E C 0.860 177.451 176.600 -0.015 0.000 1.053 349 E CA 0.790 57.186 56.400 -0.007 0.000 0.869 349 E CB 0.069 29.768 29.700 -0.001 0.000 0.977 349 E HN 0.340 nan 8.360 nan 0.000 0.483 350 T N -0.932 113.605 114.554 -0.029 0.000 2.435 350 T HA 0.170 4.520 4.350 -0.000 0.000 0.177 350 T C 2.127 176.786 174.700 -0.067 0.000 0.716 350 T CA 0.397 62.476 62.100 -0.036 0.000 1.523 350 T CB -1.035 67.814 68.868 -0.031 0.000 2.878 350 T HN 0.126 nan 8.240 nan 0.000 0.405 351 I N 0.602 121.119 120.570 -0.089 0.000 2.335 351 I HA -0.050 4.120 4.170 -0.000 0.000 0.251 351 I C 2.313 178.305 176.117 -0.209 0.000 1.129 351 I CA 1.413 62.625 61.300 -0.147 0.000 1.402 351 I CB -1.001 36.910 38.000 -0.148 0.000 1.069 351 I HN 0.364 nan 8.210 nan 0.000 0.424 352 c N 1.401 119.910 118.600 -0.152 0.000 2.500 352 c HA 0.059 4.629 4.570 -0.000 0.000 0.273 352 c C 2.112 176.109 174.090 -0.155 0.000 1.428 352 c CA 1.133 57.363 56.329 -0.164 0.000 1.766 352 c CB -1.578 40.892 42.510 -0.067 0.000 1.817 352 c HN 0.751 nan 8.230 nan 0.000 0.543 353 T N -2.086 112.402 114.554 -0.111 0.000 3.331 353 T HA 0.561 4.911 4.350 -0.000 0.000 0.282 353 T C 0.261 174.936 174.700 -0.042 0.000 1.010 353 T CA 0.109 62.176 62.100 -0.055 0.000 0.928 353 T CB -0.090 68.774 68.868 -0.007 0.000 1.154 353 T HN 0.316 nan 8.240 nan 0.000 0.516 354 A N 1.407 124.154 122.820 -0.122 0.000 2.507 354 A HA 0.491 4.811 4.320 -0.000 0.000 0.235 354 A C 0.789 178.381 177.584 0.013 0.000 1.070 354 A CA -0.105 51.888 52.037 -0.073 0.000 0.768 354 A CB -0.215 18.700 19.000 -0.141 0.000 1.011 354 A HN 0.474 nan 8.150 nan 0.000 0.502 355 T N 0.599 115.189 114.554 0.059 0.000 2.919 355 T HA 0.358 4.708 4.350 -0.000 0.000 0.302 355 T C 1.226 175.992 174.700 0.110 0.000 1.031 355 T CA 0.596 62.759 62.100 0.105 0.000 1.127 355 T CB 0.685 69.611 68.868 0.097 0.000 0.952 355 T HN 1.304 nan 8.240 nan 0.000 0.540 356 V N -0.085 119.898 119.914 0.115 0.000 3.398 356 V HA 0.450 4.570 4.120 -0.000 0.000 0.298 356 V C 0.041 176.182 176.094 0.078 0.000 1.496 356 V CA -0.365 62.007 62.300 0.120 0.000 1.044 356 V CB -0.688 31.245 31.823 0.184 0.000 0.880 356 V HN 0.882 nan 8.190 nan 0.000 0.443 357 K N 0.558 121.010 120.400 0.086 0.000 2.533 357 K HA 0.821 5.141 4.320 -0.000 0.000 0.272 357 K C -1.355 175.288 176.600 0.072 0.000 0.985 357 K CA -0.970 55.354 56.287 0.062 0.000 0.876 357 K CB 2.610 35.163 32.500 0.089 0.000 1.452 357 K HN 0.036 nan 8.250 nan 0.000 0.439 358 K N 0.990 121.421 120.400 0.051 0.000 2.535 358 K HA 0.246 4.566 4.320 -0.000 0.000 0.251 358 K C -1.569 175.050 176.600 0.032 0.000 0.942 358 K CA -0.567 55.748 56.287 0.048 0.000 0.798 358 K CB 1.795 34.322 32.500 0.045 0.000 1.267 358 K HN 0.691 nan 8.250 nan 0.000 0.434 359 N N 4.712 123.424 118.700 0.020 0.000 2.470 359 N HA 0.151 4.891 4.740 -0.000 0.000 0.268 359 N C 0.387 175.890 175.510 -0.011 0.000 1.136 359 N CA 0.157 53.201 53.050 -0.010 0.000 0.961 359 N CB 0.525 38.998 38.487 -0.024 0.000 1.067 359 N HN 0.739 nan 8.380 nan 0.000 0.468 360 I N 0.511 121.079 120.570 -0.004 0.000 4.592 360 I HA 0.390 4.560 4.170 -0.000 0.000 0.329 360 I C 1.479 177.495 176.117 -0.168 0.000 1.309 360 I CA -0.278 61.010 61.300 -0.019 0.000 1.243 360 I CB 0.443 38.468 38.000 0.043 0.000 1.241 360 I HN 0.382 nan 8.210 nan 0.000 0.434 361 G N 1.490 110.123 108.800 -0.277 0.000 2.492 361 G HA2 0.023 3.983 3.960 -0.000 0.000 0.214 361 G HA3 0.023 3.983 3.960 -0.000 0.000 0.214 361 G C 1.568 176.098 174.900 -0.617 0.000 1.147 361 G CA 0.025 44.574 45.100 -0.919 0.000 0.809 361 G HN 0.090 nan 8.290 nan 0.000 0.533 362 R N 0.418 120.743 120.500 -0.292 0.000 2.362 362 R HA 0.138 4.478 4.340 -0.000 0.000 0.227 362 R C 0.920 177.150 176.300 -0.117 0.000 0.905 362 R CA 0.138 56.133 56.100 -0.176 0.000 1.067 362 R CB -1.230 28.992 30.300 -0.131 0.000 1.078 362 R HN 0.414 nan 8.270 nan 0.000 0.516 363 N N 1.358 119.987 118.700 -0.118 0.000 2.492 363 N HA -0.015 4.725 4.740 -0.000 0.000 0.262 363 N C 0.975 176.439 175.510 -0.076 0.000 1.202 363 N CA -0.083 52.921 53.050 -0.077 0.000 0.926 363 N CB 0.372 38.823 38.487 -0.060 0.000 1.078 363 N HN 0.105 nan 8.380 nan 0.000 0.454 364 R N 0.155 120.610 120.500 -0.074 0.000 2.307 364 R HA 0.068 4.408 4.340 -0.000 0.000 0.199 364 R C -0.227 175.997 176.300 -0.126 0.000 1.000 364 R CA 0.788 56.831 56.100 -0.095 0.000 1.023 364 R CB 0.165 30.419 30.300 -0.076 0.000 0.908 364 R HN 0.507 nan 8.270 nan 0.000 0.473 365 S N 2.430 118.071 115.700 -0.098 0.000 2.130 365 S HA 0.320 4.790 4.470 -0.000 0.000 0.165 365 S C -2.570 171.982 174.600 -0.080 0.000 1.677 365 S CA -1.220 56.924 58.200 -0.095 0.000 1.227 365 S CB 1.475 64.638 63.200 -0.061 0.000 1.115 365 S HN 0.177 nan 8.310 nan 0.000 0.452 366 P HA 0.214 nan 4.420 nan 0.000 0.271 366 P C -0.069 177.203 177.300 -0.046 0.000 1.233 366 P CA -0.178 62.885 63.100 -0.062 0.000 0.789 366 P CB 0.897 32.559 31.700 -0.065 0.000 0.951 367 D N -0.079 120.292 120.400 -0.049 0.000 2.137 367 D HA 0.032 4.672 4.640 -0.000 0.000 0.202 367 D C 0.637 176.886 176.300 -0.084 0.000 0.970 367 D CA 1.475 55.435 54.000 -0.066 0.000 0.837 367 D CB 0.100 40.846 40.800 -0.091 0.000 0.981 367 D HN 0.227 nan 8.370 nan 0.000 0.475 368 I N 0.266 120.770 120.570 -0.110 0.000 2.433 368 I HA 0.291 4.461 4.170 -0.000 0.000 0.292 368 I C -0.868 175.322 176.117 0.122 0.000 1.001 368 I CA -1.081 60.152 61.300 -0.111 0.000 1.119 368 I CB 1.175 38.900 38.000 -0.459 0.000 1.289 368 I HN -0.119 nan 8.210 nan 0.000 0.438 369 Y N 6.228 126.519 120.300 -0.015 0.000 2.442 369 Y HA 0.489 5.039 4.550 0.000 0.000 0.330 369 Y C -1.298 174.605 175.900 0.005 0.000 1.100 369 Y CA -1.032 57.053 58.100 -0.026 0.000 1.034 369 Y CB 1.565 40.010 38.460 -0.025 0.000 1.285 369 Y HN 0.628 nan 8.280 nan 0.000 0.440 370 N N 7.955 126.320 118.700 -0.560 0.000 2.519 370 N HA 0.380 5.120 4.740 -0.000 0.000 0.286 370 N C -2.546 172.504 175.510 -0.767 0.000 1.079 370 N CA -2.307 50.392 53.050 -0.586 0.000 0.878 370 N CB 2.803 41.116 38.487 -0.289 0.000 1.375 370 N HN 0.399 nan 8.380 nan 0.000 0.514 371 P HA -0.081 nan 4.420 nan 0.000 0.225 371 P C 0.302 177.587 177.300 -0.025 0.000 1.148 371 P CA 1.119 63.988 63.100 -0.386 0.000 0.779 371 P CB 0.583 32.156 31.700 -0.212 0.000 0.780 372 Q N -1.426 118.312 119.800 -0.104 0.000 2.319 372 Q HA 0.330 4.670 4.340 -0.000 0.000 0.202 372 Q C 1.543 177.547 176.000 0.007 0.000 0.896 372 Q CA 0.356 56.145 55.803 -0.023 0.000 0.942 372 Q CB 0.334 29.017 28.738 -0.092 0.000 1.083 372 Q HN 0.217 nan 8.270 nan 0.000 0.510 373 A N -0.959 121.783 122.820 -0.131 0.000 1.817 373 A HA 0.656 4.976 4.320 -0.000 0.000 0.204 373 A C 0.722 177.765 177.584 -0.902 0.000 1.741 373 A CA 0.567 52.413 52.037 -0.318 0.000 1.196 373 A CB 0.770 19.606 19.000 -0.273 0.000 1.211 373 A HN 0.298 nan 8.150 nan 0.000 0.450 374 G N -1.130 106.948 108.800 -1.202 0.000 2.327 374 G HA2 0.557 4.517 3.960 -0.000 0.000 0.291 374 G HA3 0.557 4.517 3.960 -0.000 0.000 0.291 374 G C -0.806 173.379 174.900 -1.191 0.000 1.290 374 G CA 0.450 44.560 45.100 -1.651 0.000 0.857 374 G HN 1.507 nan 8.290 nan 0.000 0.520 375 S N -1.567 113.564 115.700 -0.948 0.000 2.618 375 S HA 0.867 5.337 4.470 -0.000 0.000 0.277 375 S C -1.700 172.791 174.600 -0.181 0.000 1.138 375 S CA -0.788 57.205 58.200 -0.343 0.000 0.844 375 S CB 2.258 65.447 63.200 -0.017 0.000 1.127 375 S HN 1.796 nan 8.310 nan 0.000 0.474 376 L N 0.792 122.018 121.223 0.005 0.000 2.445 376 L HA 0.795 5.135 4.340 -0.000 0.000 0.262 376 L C -1.162 175.679 176.870 -0.048 0.000 0.974 376 L CA -0.306 54.518 54.840 -0.028 0.000 0.822 376 L CB 2.046 44.071 42.059 -0.058 0.000 1.339 376 L HN 1.039 nan 8.230 nan 0.000 0.409 377 K N 2.004 122.388 120.400 -0.027 0.000 2.525 377 K HA 0.738 5.058 4.320 -0.000 0.000 0.254 377 K C -1.525 175.072 176.600 -0.005 0.000 0.934 377 K CA -0.393 55.889 56.287 -0.007 0.000 0.802 377 K CB 1.957 34.476 32.500 0.032 0.000 1.295 377 K HN 0.693 nan 8.250 nan 0.000 0.433 378 T N 1.324 115.871 114.554 -0.012 0.000 2.885 378 T HA 0.638 4.988 4.350 -0.000 0.000 0.285 378 T C -1.248 173.455 174.700 0.005 0.000 1.019 378 T CA -0.650 61.447 62.100 -0.005 0.000 1.010 378 T CB 1.616 70.481 68.868 -0.004 0.000 1.022 378 T HN 0.600 nan 8.240 nan 0.000 0.466 379 A N 3.399 126.226 122.820 0.012 0.000 2.267 379 A HA 0.711 5.031 4.320 -0.000 0.000 0.315 379 A C -0.030 177.569 177.584 0.024 0.000 1.297 379 A CA -0.767 51.285 52.037 0.024 0.000 0.865 379 A CB -0.008 19.014 19.000 0.038 0.000 1.165 379 A HN 0.859 nan 8.150 nan 0.000 0.513 380 N N 0.682 119.393 118.700 0.020 0.000 3.283 380 N HA 0.259 4.999 4.740 -0.000 0.000 0.338 380 N C 0.529 176.046 175.510 0.011 0.000 1.517 380 N CA -0.170 52.889 53.050 0.015 0.000 0.733 380 N CB 0.182 38.672 38.487 0.005 0.000 1.797 380 N HN 0.461 nan 8.380 nan 0.000 0.637 381 E N -0.544 119.651 120.200 -0.008 0.000 2.418 381 E HA 0.001 4.351 4.350 -0.000 0.000 0.197 381 E C 0.869 177.461 176.600 -0.013 0.000 1.026 381 E CA 0.634 57.021 56.400 -0.022 0.000 0.862 381 E CB -0.399 29.255 29.700 -0.077 0.000 0.799 381 E HN 0.517 nan 8.360 nan 0.000 0.518 382 L N 1.093 122.312 121.223 -0.006 0.000 2.492 382 L HA 0.022 4.362 4.340 -0.000 0.000 0.223 382 L C 1.380 178.259 176.870 0.015 0.000 1.132 382 L CA 0.893 55.734 54.840 0.002 0.000 0.850 382 L CB -0.314 41.744 42.059 -0.001 0.000 0.966 382 L HN 0.283 nan 8.230 nan 0.000 0.454 383 N N -0.946 117.766 118.700 0.020 0.000 2.193 383 N HA 0.078 4.818 4.740 -0.000 0.000 0.210 383 N C -0.009 175.525 175.510 0.041 0.000 1.215 383 N CA -0.186 52.880 53.050 0.027 0.000 0.901 383 N CB 0.551 39.050 38.487 0.021 0.000 1.060 383 N HN 0.059 nan 8.380 nan 0.000 0.508 384 L N 1.114 122.366 121.223 0.048 0.000 2.492 384 L HA 0.444 4.784 4.340 -0.000 0.000 0.258 384 L C 0.357 177.278 176.870 0.086 0.000 1.028 384 L CA -0.765 54.116 54.840 0.068 0.000 0.900 384 L CB 1.226 43.325 42.059 0.067 0.000 1.191 384 L HN 0.062 nan 8.230 nan 0.000 0.459 385 L N 4.098 125.385 121.223 0.107 0.000 2.079 385 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 385 L C 1.915 178.926 176.870 0.236 0.000 1.081 385 L CA 2.020 56.943 54.840 0.138 0.000 0.752 385 L CB -0.451 41.712 42.059 0.174 0.000 0.896 385 L HN 0.752 nan 8.230 nan 0.000 0.433 386 I N -0.793 119.948 120.570 0.285 0.000 2.423 386 I HA -0.288 3.882 4.170 -0.000 0.000 0.254 386 I C 2.086 178.395 176.117 0.320 0.000 1.151 386 I CA 1.446 62.989 61.300 0.404 0.000 1.421 386 I CB -0.327 37.833 38.000 0.267 0.000 1.079 386 I HN 0.301 nan 8.210 nan 0.000 0.431 387 L N -0.016 121.304 121.223 0.162 0.000 2.187 387 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 387 L C 2.645 179.530 176.870 0.026 0.000 1.100 387 L CA 1.376 56.274 54.840 0.096 0.000 0.765 387 L CB -0.794 41.299 42.059 0.057 0.000 0.904 387 L HN 0.311 nan 8.230 nan 0.000 0.437 388 R N -0.041 120.404 120.500 -0.092 0.000 2.091 388 R HA -0.211 4.129 4.340 -0.000 0.000 0.238 388 R C 2.185 178.242 176.300 -0.405 0.000 1.136 388 R CA 1.788 57.669 56.100 -0.365 0.000 0.959 388 R CB -0.183 29.681 30.300 -0.726 0.000 0.856 388 R HN 0.401 nan 8.270 nan 0.000 0.437 389 W N 0.291 121.641 121.300 0.083 0.000 2.467 389 W HA -0.049 4.611 4.660 0.000 0.000 0.275 389 W C 1.757 178.334 176.519 0.097 0.000 1.239 389 W CA 0.418 57.818 57.345 0.092 0.000 1.266 389 W CB -0.121 29.384 29.460 0.074 0.000 1.112 389 W HN 0.197 nan 8.180 nan 0.000 0.576 390 L N -0.170 121.197 121.223 0.240 0.000 2.240 390 L HA 0.073 4.413 4.340 -0.000 0.000 0.211 390 L C 1.722 178.661 176.870 0.115 0.000 1.106 390 L CA 1.466 56.405 54.840 0.165 0.000 0.793 390 L CB -1.255 40.882 42.059 0.129 0.000 0.927 390 L HN 0.171 nan 8.230 nan 0.000 0.446 391 G N 1.203 110.048 108.800 0.076 0.000 2.198 391 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.257 391 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.257 391 G C -0.131 174.787 174.900 0.030 0.000 1.042 391 G CA 0.209 45.330 45.100 0.034 0.000 0.791 391 G HN 0.290 nan 8.290 nan 0.000 0.502 392 L N -0.559 120.690 121.223 0.043 0.000 2.415 392 L HA 0.868 5.208 4.340 -0.000 0.000 0.256 392 L C 0.299 177.208 176.870 0.065 0.000 1.010 392 L CA -0.372 54.505 54.840 0.062 0.000 0.826 392 L CB 2.495 44.600 42.059 0.077 0.000 1.405 392 L HN 0.610 nan 8.230 nan 0.000 0.410 393 S N 0.390 116.141 115.700 0.086 0.000 2.672 393 S HA 0.970 5.440 4.470 -0.000 0.000 0.271 393 S C -1.399 173.254 174.600 0.090 0.000 1.171 393 S CA -0.362 57.882 58.200 0.073 0.000 0.817 393 S CB 2.207 65.430 63.200 0.040 0.000 1.150 393 S HN 1.023 nan 8.310 nan 0.000 0.478 394 A N 0.491 123.330 122.820 0.032 0.000 2.574 394 A HA 0.811 5.131 4.320 -0.000 0.000 0.297 394 A C -1.409 176.127 177.584 -0.079 0.000 1.062 394 A CA -0.756 51.242 52.037 -0.065 0.000 0.686 394 A CB 1.447 20.346 19.000 -0.169 0.000 1.285 394 A HN 1.108 nan 8.150 nan 0.000 0.403 395 E N 0.445 120.574 120.200 -0.118 0.000 2.248 395 E HA 0.601 4.951 4.350 -0.000 0.000 0.267 395 E C -1.571 174.905 176.600 -0.207 0.000 0.877 395 E CA -0.695 55.656 56.400 -0.082 0.000 0.759 395 E CB 2.069 31.779 29.700 0.016 0.000 1.182 395 E HN 0.661 nan 8.360 nan 0.000 0.418 396 Y N 1.763 121.854 120.300 -0.349 0.000 2.352 396 Y HA 0.659 5.209 4.550 0.000 0.000 0.339 396 Y C -0.398 175.172 175.900 -0.550 0.000 0.992 396 Y CA -0.383 57.407 58.100 -0.516 0.000 1.100 396 Y CB 1.819 40.076 38.460 -0.338 0.000 1.192 396 Y HN 0.774 nan 8.280 nan 0.000 0.458 397 G N 4.248 112.086 108.800 -1.603 0.000 2.563 397 G HA2 0.436 4.396 3.960 -0.000 0.000 0.302 397 G HA3 0.436 4.396 3.960 -0.000 0.000 0.302 397 G C -1.762 172.498 174.900 -1.066 0.000 1.301 397 G CA -1.100 43.314 45.100 -1.142 0.000 0.965 397 G HN 0.578 nan 8.290 nan 0.000 0.480 398 N N -0.553 117.806 118.700 -0.569 0.000 2.284 398 N HA 0.658 5.398 4.740 -0.000 0.000 0.300 398 N C -1.516 173.753 175.510 -0.402 0.000 1.047 398 N CA -0.523 52.295 53.050 -0.387 0.000 0.821 398 N CB 2.396 40.726 38.487 -0.262 0.000 1.337 398 N HN 0.408 nan 8.380 nan 0.000 0.482 399 L N 3.023 124.161 121.223 -0.141 0.000 2.439 399 L HA 0.496 4.836 4.340 -0.000 0.000 0.270 399 L C -1.471 175.387 176.870 -0.020 0.000 0.972 399 L CA -0.598 54.125 54.840 -0.195 0.000 0.836 399 L CB 0.579 42.748 42.059 0.183 0.000 1.255 399 L HN 0.378 nan 8.230 nan 0.000 0.404 400 Y N 2.520 122.795 120.300 -0.042 0.000 2.298 400 Y HA 0.406 4.956 4.550 -0.000 0.000 0.329 400 Y C 0.862 176.768 175.900 0.010 0.000 1.293 400 Y CA -0.831 57.260 58.100 -0.015 0.000 1.388 400 Y CB 0.273 38.698 38.460 -0.059 0.000 1.309 400 Y HN 0.524 nan 8.280 nan 0.000 0.544 401 R N 1.853 122.463 120.500 0.185 0.000 2.537 401 R HA -0.133 4.207 4.340 -0.000 0.000 0.281 401 R C 0.046 176.393 176.300 0.079 0.000 0.988 401 R CA 0.714 56.877 56.100 0.106 0.000 1.077 401 R CB -0.195 30.147 30.300 0.071 0.000 0.932 401 R HN 0.865 nan 8.270 nan 0.000 0.409 402 N N -0.332 118.404 118.700 0.060 0.000 2.900 402 N HA -0.229 4.511 4.740 -0.000 0.000 0.240 402 N C -0.687 174.850 175.510 0.044 0.000 0.953 402 N CA 1.489 54.566 53.050 0.046 0.000 0.950 402 N CB -1.354 37.156 38.487 0.037 0.000 1.102 402 N HN 0.680 nan 8.380 nan 0.000 0.593 403 A N 0.074 122.923 122.820 0.048 0.000 2.313 403 A HA 0.627 4.947 4.320 -0.000 0.000 0.261 403 A C 0.233 177.858 177.584 0.068 0.000 1.090 403 A CA -0.148 51.908 52.037 0.032 0.000 0.807 403 A CB 0.570 19.554 19.000 -0.027 0.000 1.055 403 A HN 0.255 nan 8.150 nan 0.000 0.492 404 L N 0.592 121.877 121.223 0.103 0.000 2.365 404 L HA 0.629 4.969 4.340 -0.000 0.000 0.273 404 L C -1.225 175.834 176.870 0.315 0.000 1.000 404 L CA -0.411 54.529 54.840 0.165 0.000 0.819 404 L CB 1.580 43.711 42.059 0.119 0.000 1.284 404 L HN 0.621 nan 8.230 nan 0.000 0.418 405 F N 5.845 125.913 119.950 0.198 0.000 2.404 405 F HA 0.420 4.947 4.527 -0.000 0.000 0.358 405 F C 0.253 176.132 175.800 0.132 0.000 1.120 405 F CA -1.013 57.119 58.000 0.221 0.000 1.144 405 F CB 0.780 39.941 39.000 0.269 0.000 1.133 405 F HN 0.358 nan 8.300 nan 0.000 0.495 406 V N 5.145 125.368 119.914 0.516 0.000 3.032 406 V HA 0.235 4.355 4.120 -0.000 0.000 0.307 406 V C -2.356 173.887 176.094 0.248 0.000 1.097 406 V CA -1.642 60.816 62.300 0.264 0.000 1.191 406 V CB -0.483 31.426 31.823 0.143 0.000 0.964 406 V HN 0.631 nan 8.190 nan 0.000 0.494 407 P HA 0.128 nan 4.420 nan 0.000 0.261 407 P C -0.517 176.829 177.300 0.077 0.000 1.173 407 P CA 0.962 64.068 63.100 0.010 0.000 0.760 407 P CB -0.088 31.605 31.700 -0.012 0.000 0.783 408 H N 1.423 120.440 119.070 -0.089 0.000 2.990 408 H HA 0.558 5.114 4.556 -0.000 0.000 0.336 408 H C -1.240 174.090 175.328 0.004 0.000 1.306 408 H CA -0.878 55.112 56.048 -0.096 0.000 1.118 408 H CB 1.067 30.715 29.762 -0.189 0.000 1.856 408 H HN 0.468 nan 8.280 nan 0.000 0.538 409 Y N -0.371 119.919 120.300 -0.017 0.000 2.615 409 Y HA 0.483 5.033 4.550 -0.000 0.000 0.341 409 Y C -1.109 174.811 175.900 0.034 0.000 1.089 409 Y CA -1.255 56.810 58.100 -0.057 0.000 1.049 409 Y CB 1.329 39.766 38.460 -0.038 0.000 1.296 409 Y HN 0.606 nan 8.280 nan 0.000 0.470 410 N N 0.629 119.405 118.700 0.128 0.000 2.419 410 N HA 0.171 4.911 4.740 -0.000 0.000 0.277 410 N C 0.708 176.299 175.510 0.136 0.000 1.006 410 N CA 0.135 53.215 53.050 0.049 0.000 0.923 410 N CB 1.804 40.317 38.487 0.044 0.000 1.140 410 N HN 0.922 nan 8.380 nan 0.000 0.488 411 T N 0.121 114.710 114.554 0.058 0.000 2.867 411 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 411 T C 0.765 175.499 174.700 0.057 0.000 1.057 411 T CA 1.284 63.469 62.100 0.141 0.000 1.136 411 T CB -0.207 68.702 68.868 0.069 0.000 0.874 411 T HN 0.666 nan 8.240 nan 0.000 0.466 412 N N 1.089 119.786 118.700 -0.005 0.000 2.232 412 N HA 0.484 5.224 4.740 -0.000 0.000 0.240 412 N C -0.515 174.942 175.510 -0.089 0.000 1.307 412 N CA -0.129 52.889 53.050 -0.053 0.000 0.859 412 N CB 0.644 39.099 38.487 -0.054 0.000 1.260 412 N HN 0.638 nan 8.380 nan 0.000 0.501 413 A N -0.027 122.729 122.820 -0.106 0.000 2.566 413 A HA 0.487 4.807 4.320 -0.000 0.000 0.297 413 A C -1.262 176.218 177.584 -0.173 0.000 1.059 413 A CA -0.679 51.288 52.037 -0.118 0.000 0.691 413 A CB 0.884 19.868 19.000 -0.027 0.000 1.282 413 A HN 0.272 nan 8.150 nan 0.000 0.401 414 H N 0.523 119.577 119.070 -0.028 0.000 2.690 414 H HA 0.423 4.979 4.556 -0.000 0.000 0.365 414 H C 0.105 175.415 175.328 -0.031 0.000 1.142 414 H CA 0.733 56.745 56.048 -0.059 0.000 1.417 414 H CB 1.526 31.244 29.762 -0.073 0.000 1.446 414 H HN 0.550 nan 8.280 nan 0.000 0.599 415 S N 1.734 117.477 115.700 0.071 0.000 2.478 415 S HA 0.428 4.898 4.470 -0.000 0.000 0.312 415 S C -0.576 174.036 174.600 0.020 0.000 1.094 415 S CA -0.765 57.464 58.200 0.049 0.000 1.081 415 S CB 0.053 63.261 63.200 0.015 0.000 1.007 415 S HN 0.378 nan 8.310 nan 0.000 0.475 416 I N 5.786 126.413 120.570 0.094 0.000 2.359 416 I HA 0.424 4.594 4.170 -0.000 0.000 0.284 416 I C -0.479 175.734 176.117 0.160 0.000 1.018 416 I CA -0.051 61.299 61.300 0.083 0.000 1.173 416 I CB 1.285 39.359 38.000 0.123 0.000 1.326 416 I HN 0.570 nan 8.210 nan 0.000 0.462 417 I N 6.416 127.021 120.570 0.059 0.000 2.297 417 I HA 0.173 4.343 4.170 -0.000 0.000 0.291 417 I C -0.801 175.413 176.117 0.160 0.000 1.033 417 I CA -0.679 60.674 61.300 0.088 0.000 1.253 417 I CB 0.465 38.444 38.000 -0.035 0.000 1.396 417 I HN 0.452 nan 8.210 nan 0.000 0.476 418 Y N 7.022 127.376 120.300 0.088 0.000 2.353 418 Y HA 0.615 5.165 4.550 0.000 0.000 0.340 418 Y C 0.277 176.255 175.900 0.130 0.000 0.972 418 Y CA -1.016 57.156 58.100 0.120 0.000 1.157 418 Y CB 1.084 39.629 38.460 0.143 0.000 1.157 418 Y HN 0.632 nan 8.280 nan 0.000 0.495 419 A N 7.277 129.940 122.820 -0.261 0.000 2.451 419 A HA 0.262 4.582 4.320 -0.000 0.000 0.266 419 A C 0.262 177.653 177.584 -0.321 0.000 1.119 419 A CA -0.151 51.786 52.037 -0.165 0.000 0.786 419 A CB 0.023 19.098 19.000 0.126 0.000 1.061 419 A HN 1.093 nan 8.150 nan 0.000 0.503 420 L N 1.678 122.800 121.223 -0.168 0.000 2.253 420 L HA 0.263 4.603 4.340 -0.000 0.000 0.205 420 L C 1.374 178.272 176.870 0.046 0.000 1.078 420 L CA 0.693 55.547 54.840 0.024 0.000 0.805 420 L CB 0.009 42.150 42.059 0.137 0.000 0.963 420 L HN 0.785 nan 8.230 nan 0.000 0.459 421 R N -0.917 119.573 120.500 -0.017 0.000 2.594 421 R HA 0.466 4.806 4.340 -0.000 0.000 0.265 421 R C -0.430 175.940 176.300 0.117 0.000 1.070 421 R CA 0.200 56.338 56.100 0.064 0.000 0.909 421 R CB 1.699 32.043 30.300 0.073 0.000 1.243 421 R HN 0.134 nan 8.270 nan 0.000 0.455 422 G N 2.700 111.611 108.800 0.185 0.000 2.598 422 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 422 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 422 G C -1.275 173.849 174.900 0.373 0.000 1.302 422 G CA 0.162 45.423 45.100 0.269 0.000 0.903 422 G HN 0.868 nan 8.290 nan 0.000 0.575 423 R N -1.215 119.497 120.500 0.355 0.000 2.680 423 R HA 0.814 5.154 4.340 -0.000 0.000 0.269 423 R C -0.731 175.418 176.300 -0.252 0.000 1.026 423 R CA -0.391 55.785 56.100 0.127 0.000 0.889 423 R CB 1.430 31.761 30.300 0.053 0.000 1.241 423 R HN 2.287 nan 8.270 nan 0.000 0.463 424 A N 1.172 123.654 122.820 -0.563 0.000 2.488 424 A HA 0.353 4.673 4.320 -0.000 0.000 0.298 424 A C -1.613 175.815 177.584 -0.260 0.000 1.044 424 A CA -0.760 50.897 52.037 -0.633 0.000 0.693 424 A CB 1.366 19.526 19.000 -1.400 0.000 1.272 424 A HN 0.878 nan 8.150 nan 0.000 0.402 425 H N 1.818 120.750 119.070 -0.231 0.000 2.955 425 H HA 0.456 5.012 4.556 -0.000 0.000 0.290 425 H C -0.868 174.389 175.328 -0.118 0.000 1.047 425 H CA 0.023 55.986 56.048 -0.142 0.000 1.484 425 H CB 0.384 30.085 29.762 -0.102 0.000 1.501 425 H HN 0.382 nan 8.280 nan 0.000 0.521 426 V N 5.925 125.896 119.914 0.094 0.000 2.555 426 V HA 0.232 4.352 4.120 -0.000 0.000 0.302 426 V C -0.437 175.692 176.094 0.057 0.000 1.038 426 V CA -0.809 61.499 62.300 0.013 0.000 0.887 426 V CB 1.891 33.747 31.823 0.054 0.000 0.991 426 V HN 0.820 nan 8.190 nan 0.000 0.434 427 Q N 2.385 122.151 119.800 -0.057 0.000 2.365 427 Q HA 0.797 5.137 4.340 -0.000 0.000 0.269 427 Q C -1.599 174.393 176.000 -0.013 0.000 1.061 427 Q CA -0.773 55.017 55.803 -0.022 0.000 0.816 427 Q CB 3.090 31.748 28.738 -0.134 0.000 1.325 427 Q HN 0.554 nan 8.270 nan 0.000 0.446 428 V N 1.848 121.787 119.914 0.041 0.000 2.638 428 V HA 0.509 4.629 4.120 -0.000 0.000 0.306 428 V C -0.677 175.416 176.094 -0.001 0.000 1.052 428 V CA -0.781 61.523 62.300 0.006 0.000 0.885 428 V CB 2.092 33.928 31.823 0.022 0.000 0.999 428 V HN 0.528 nan 8.190 nan 0.000 0.424 429 V N 3.749 123.629 119.914 -0.056 0.000 2.540 429 V HA 0.500 4.620 4.120 -0.000 0.000 0.302 429 V C -0.361 175.526 176.094 -0.346 0.000 1.035 429 V CA -0.649 61.565 62.300 -0.144 0.000 0.873 429 V CB 1.939 33.684 31.823 -0.131 0.000 0.992 429 V HN 1.060 nan 8.190 nan 0.000 0.428 430 D N 2.924 123.018 120.400 -0.511 0.000 2.511 430 D HA 0.164 4.804 4.640 -0.000 0.000 0.276 430 D C 1.332 177.258 176.300 -0.623 0.000 1.220 430 D CA 0.094 53.462 54.000 -1.054 0.000 1.077 430 D CB 0.856 41.115 40.800 -0.901 0.000 1.126 430 D HN 0.449 nan 8.370 nan 0.000 0.583 431 S N -1.210 114.158 115.700 -0.553 0.000 2.515 431 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 431 S C 0.778 175.261 174.600 -0.196 0.000 0.987 431 S CA 0.109 58.131 58.200 -0.297 0.000 0.936 431 S CB -0.572 62.515 63.200 -0.188 0.000 0.766 431 S HN 0.482 nan 8.310 nan 0.000 0.528 432 N N 1.355 119.943 118.700 -0.187 0.000 2.336 432 N HA 0.175 4.915 4.740 -0.000 0.000 0.189 432 N C 1.186 176.631 175.510 -0.108 0.000 1.113 432 N CA 0.676 53.656 53.050 -0.117 0.000 0.858 432 N CB 0.359 38.796 38.487 -0.084 0.000 0.970 432 N HN 0.648 nan 8.380 nan 0.000 0.471 433 G N 1.335 110.051 108.800 -0.141 0.000 2.153 433 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.252 433 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.252 433 G C -0.173 174.670 174.900 -0.096 0.000 0.994 433 G CA -0.243 44.789 45.100 -0.113 0.000 0.698 433 G HN 0.270 nan 8.290 nan 0.000 0.521 434 N N -0.046 118.590 118.700 -0.106 0.000 2.514 434 N HA 0.334 5.074 4.740 -0.000 0.000 0.277 434 N C 0.516 175.985 175.510 -0.067 0.000 1.126 434 N CA -0.353 52.655 53.050 -0.070 0.000 0.978 434 N CB 0.888 39.347 38.487 -0.047 0.000 1.106 434 N HN 0.396 nan 8.380 nan 0.000 0.461 435 R N 1.975 122.451 120.500 -0.040 0.000 2.325 435 R HA 0.094 4.434 4.340 -0.000 0.000 0.323 435 R C 1.086 177.389 176.300 0.005 0.000 1.177 435 R CA -0.254 55.830 56.100 -0.026 0.000 1.018 435 R CB -0.184 30.099 30.300 -0.029 0.000 1.070 435 R HN 0.504 nan 8.270 nan 0.000 0.495 436 V N 2.109 122.043 119.914 0.033 0.000 3.406 436 V HA 0.165 4.285 4.120 -0.000 0.000 0.263 436 V C -0.021 176.149 176.094 0.127 0.000 1.172 436 V CA 0.296 62.645 62.300 0.081 0.000 1.140 436 V CB -0.700 31.193 31.823 0.117 0.000 0.784 436 V HN 0.601 nan 8.190 nan 0.000 0.467 437 Y N 0.526 120.801 120.300 -0.042 0.000 2.441 437 Y HA 0.654 5.204 4.550 0.000 0.000 0.334 437 Y C -1.721 174.158 175.900 -0.035 0.000 1.061 437 Y CA -1.233 56.839 58.100 -0.047 0.000 1.032 437 Y CB 2.110 40.523 38.460 -0.079 0.000 1.266 437 Y HN 0.163 nan 8.280 nan 0.000 0.441 438 D N 5.324 125.428 120.400 -0.494 0.000 2.411 438 D HA 0.250 4.890 4.640 -0.000 0.000 0.239 438 D C -1.265 174.820 176.300 -0.358 0.000 1.307 438 D CA 0.059 53.901 54.000 -0.264 0.000 0.930 438 D CB 0.507 41.255 40.800 -0.086 0.000 1.395 438 D HN 0.816 nan 8.370 nan 0.000 0.536 439 E N 0.770 120.743 120.200 -0.378 0.000 2.388 439 E HA 0.265 4.615 4.350 -0.000 0.000 0.269 439 E C -1.109 175.460 176.600 -0.051 0.000 1.172 439 E CA -0.867 55.377 56.400 -0.260 0.000 0.887 439 E CB 0.653 30.116 29.700 -0.396 0.000 1.544 439 E HN 0.021 nan 8.360 nan 0.000 0.451 440 E N 0.834 120.968 120.200 -0.110 0.000 2.180 440 E HA 0.209 4.559 4.350 -0.000 0.000 0.283 440 E C -0.778 175.811 176.600 -0.018 0.000 1.061 440 E CA -0.489 55.868 56.400 -0.072 0.000 0.861 440 E CB 0.926 30.555 29.700 -0.119 0.000 1.056 440 E HN 0.242 nan 8.360 nan 0.000 0.407 441 L N 4.597 125.832 121.223 0.020 0.000 2.278 441 L HA 0.098 4.438 4.340 -0.000 0.000 0.287 441 L C -0.327 176.581 176.870 0.063 0.000 1.072 441 L CA 0.349 55.235 54.840 0.076 0.000 0.819 441 L CB 0.618 42.733 42.059 0.094 0.000 1.176 441 L HN 0.433 nan 8.230 nan 0.000 0.435 442 Q N 3.442 123.243 119.800 0.003 0.000 2.215 442 Q HA 0.321 4.661 4.340 -0.000 0.000 0.256 442 Q C -0.531 175.608 176.000 0.233 0.000 0.972 442 Q CA -0.865 54.989 55.803 0.085 0.000 0.889 442 Q CB 1.396 30.114 28.738 -0.033 0.000 1.281 442 Q HN 0.676 nan 8.270 nan 0.000 0.456 443 E N -0.130 120.201 120.200 0.217 0.000 2.708 443 E HA 0.005 4.355 4.350 -0.000 0.000 0.260 443 E C 0.514 177.220 176.600 0.176 0.000 0.937 443 E CA 0.579 57.068 56.400 0.149 0.000 0.953 443 E CB -0.186 29.592 29.700 0.129 0.000 0.915 443 E HN 0.897 nan 8.360 nan 0.000 0.487 444 G N 2.414 111.184 108.800 -0.051 0.000 2.184 444 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.264 444 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.264 444 G C -0.211 174.751 174.900 0.104 0.000 0.975 444 G CA 0.711 45.817 45.100 0.010 0.000 0.642 444 G HN 0.769 nan 8.290 nan 0.000 0.536 445 H N -1.193 117.928 119.070 0.085 0.000 2.525 445 H HA 0.718 5.274 4.556 0.000 0.000 0.340 445 H C 0.009 175.455 175.328 0.197 0.000 1.168 445 H CA -0.346 55.849 56.048 0.246 0.000 1.247 445 H CB 1.916 31.794 29.762 0.193 0.000 1.568 445 H HN 0.191 nan 8.280 nan 0.000 0.536 446 V N 2.454 122.612 119.914 0.406 0.000 2.588 446 V HA 0.256 4.376 4.120 -0.000 0.000 0.304 446 V C -1.024 175.099 176.094 0.049 0.000 1.042 446 V CA -0.767 61.658 62.300 0.208 0.000 0.877 446 V CB 1.943 33.822 31.823 0.094 0.000 0.996 446 V HN 0.421 nan 8.190 nan 0.000 0.425 447 L N 5.958 127.132 121.223 -0.082 0.000 2.349 447 L HA 0.687 5.027 4.340 -0.000 0.000 0.278 447 L C -0.567 176.127 176.870 -0.294 0.000 0.996 447 L CA -0.122 54.553 54.840 -0.276 0.000 0.825 447 L CB 1.917 43.724 42.059 -0.420 0.000 1.243 447 L HN 0.443 nan 8.230 nan 0.000 0.412 448 V N 5.962 125.641 119.914 -0.391 0.000 2.432 448 V HA 0.349 4.469 4.120 -0.000 0.000 0.271 448 V C -0.103 175.758 176.094 -0.389 0.000 1.046 448 V CA -0.532 61.540 62.300 -0.380 0.000 0.945 448 V CB 1.359 32.887 31.823 -0.492 0.000 0.992 448 V HN 0.519 nan 8.190 nan 0.000 0.471 449 V N 8.309 128.051 119.914 -0.287 0.000 2.311 449 V HA 0.304 4.424 4.120 -0.000 0.000 0.275 449 V C -2.210 173.734 176.094 -0.249 0.000 1.022 449 V CA -1.936 60.196 62.300 -0.280 0.000 0.830 449 V CB 1.352 33.055 31.823 -0.200 0.000 1.012 449 V HN 0.737 nan 8.190 nan 0.000 0.452 450 P HA 0.017 nan 4.420 nan 0.000 0.267 450 P C -0.064 177.088 177.300 -0.246 0.000 1.200 450 P CA -0.107 62.788 63.100 -0.341 0.000 0.772 450 P CB 0.404 31.500 31.700 -1.007 0.000 0.855 451 Q N 2.928 122.576 119.800 -0.253 0.000 2.348 451 Q HA -0.218 4.122 4.340 -0.000 0.000 0.331 451 Q C 0.367 176.382 176.000 0.024 0.000 1.099 451 Q CA 1.240 56.913 55.803 -0.217 0.000 1.021 451 Q CB -0.616 27.878 28.738 -0.407 0.000 1.166 451 Q HN 0.506 nan 8.270 nan 0.000 0.393 452 N N 0.774 119.546 118.700 0.120 0.000 2.951 452 N HA -0.237 4.503 4.740 -0.000 0.000 0.218 452 N C -0.838 174.772 175.510 0.167 0.000 0.858 452 N CA 0.643 53.776 53.050 0.139 0.000 1.050 452 N CB -0.914 37.592 38.487 0.032 0.000 1.012 452 N HN 0.367 nan 8.380 nan 0.000 0.611 453 F N 1.659 121.571 119.950 -0.064 0.000 2.563 453 F HA 0.358 4.885 4.527 0.000 0.000 0.363 453 F C 1.260 177.002 175.800 -0.096 0.000 1.123 453 F CA -0.308 57.639 58.000 -0.089 0.000 1.307 453 F CB 0.249 39.196 39.000 -0.088 0.000 1.115 453 F HN 0.015 nan 8.300 nan 0.000 0.592 454 A N 2.960 125.792 122.820 0.020 0.000 2.316 454 A HA 0.662 4.982 4.320 -0.000 0.000 0.284 454 A C -0.723 176.772 177.584 -0.148 0.000 1.115 454 A CA -0.561 51.445 52.037 -0.052 0.000 0.812 454 A CB 1.244 20.207 19.000 -0.062 0.000 1.064 454 A HN 0.692 nan 8.150 nan 0.000 0.489 455 V N 0.371 120.080 119.914 -0.341 0.000 2.971 455 V HA 0.848 4.968 4.120 -0.000 0.000 0.309 455 V C -0.504 175.329 176.094 -0.435 0.000 1.130 455 V CA 0.289 62.361 62.300 -0.381 0.000 0.964 455 V CB 1.961 33.522 31.823 -0.438 0.000 1.029 455 V HN 1.946 nan 8.190 nan 0.000 0.427 456 A N 3.386 126.055 122.820 -0.252 0.000 2.572 456 A HA 1.021 5.341 4.320 -0.000 0.000 0.295 456 A C -0.389 177.124 177.584 -0.118 0.000 1.072 456 A CA -0.115 51.837 52.037 -0.141 0.000 0.691 456 A CB 2.041 20.991 19.000 -0.082 0.000 1.291 456 A HN 1.966 nan 8.150 nan 0.000 0.404 457 G N 0.213 108.999 108.800 -0.025 0.000 2.719 457 G HA2 0.583 4.543 3.960 -0.000 0.000 0.298 457 G HA3 0.583 4.543 3.960 -0.000 0.000 0.298 457 G C -1.442 173.464 174.900 0.010 0.000 1.411 457 G CA -0.549 44.517 45.100 -0.056 0.000 0.991 457 G HN 0.722 nan 8.290 nan 0.000 0.509 458 K N 0.875 121.247 120.400 -0.048 0.000 2.463 458 K HA 0.540 4.860 4.320 -0.000 0.000 0.255 458 K C -0.169 176.403 176.600 -0.046 0.000 0.942 458 K CA -0.536 55.750 56.287 -0.001 0.000 0.814 458 K CB 1.685 34.196 32.500 0.018 0.000 1.122 458 K HN 0.512 nan 8.250 nan 0.000 0.425 459 S N 3.088 118.771 115.700 -0.027 0.000 2.531 459 S HA 0.081 4.551 4.470 -0.000 0.000 0.279 459 S C 0.123 174.721 174.600 -0.003 0.000 1.305 459 S CA -0.204 57.969 58.200 -0.046 0.000 1.058 459 S CB 0.641 63.896 63.200 0.091 0.000 0.899 459 S HN 0.628 nan 8.310 nan 0.000 0.493 460 Q N 2.949 122.735 119.800 -0.023 0.000 2.206 460 Q HA 0.357 4.697 4.340 -0.000 0.000 0.265 460 Q C -0.595 175.430 176.000 0.042 0.000 0.866 460 Q CA -0.130 55.677 55.803 0.006 0.000 1.073 460 Q CB 0.611 29.335 28.738 -0.023 0.000 1.165 460 Q HN 0.515 nan 8.270 nan 0.000 0.465 461 S N -0.741 115.011 115.700 0.086 0.000 2.618 461 S HA 0.049 4.519 4.470 -0.000 0.000 0.277 461 S C 0.556 175.229 174.600 0.122 0.000 1.138 461 S CA -0.484 57.784 58.200 0.114 0.000 0.844 461 S CB 2.135 65.439 63.200 0.174 0.000 1.127 461 S HN 0.238 nan 8.310 nan 0.000 0.474 462 D N 0.705 121.165 120.400 0.100 0.000 2.133 462 D HA -0.111 4.529 4.640 -0.000 0.000 0.195 462 D C 0.426 176.811 176.300 0.141 0.000 0.997 462 D CA 1.404 55.456 54.000 0.087 0.000 0.840 462 D CB -0.236 40.594 40.800 0.050 0.000 0.947 462 D HN 0.563 nan 8.370 nan 0.000 0.452 463 N N -1.460 117.345 118.700 0.176 0.000 2.571 463 N HA 0.167 4.907 4.740 -0.000 0.000 0.286 463 N C -1.695 173.960 175.510 0.242 0.000 1.138 463 N CA -0.653 52.543 53.050 0.244 0.000 0.859 463 N CB 0.841 39.454 38.487 0.211 0.000 1.414 463 N HN 0.193 nan 8.380 nan 0.000 0.529 464 F N 3.063 123.074 119.950 0.102 0.000 2.427 464 F HA 0.388 4.915 4.527 0.000 0.000 0.352 464 F C -0.279 175.569 175.800 0.080 0.000 1.100 464 F CA 0.037 58.094 58.000 0.094 0.000 1.191 464 F CB 0.779 39.838 39.000 0.098 0.000 1.128 464 F HN 0.365 nan 8.300 nan 0.000 0.533 465 E N 5.876 125.744 120.200 -0.554 0.000 2.222 465 E HA 0.382 4.732 4.350 -0.000 0.000 0.267 465 E C -1.741 174.428 176.600 -0.719 0.000 0.884 465 E CA -0.842 55.220 56.400 -0.563 0.000 0.764 465 E CB 2.342 31.912 29.700 -0.217 0.000 1.169 465 E HN 0.625 nan 8.360 nan 0.000 0.413 466 Y N -1.064 118.775 120.300 -0.767 0.000 2.581 466 Y HA 0.645 5.195 4.550 -0.000 0.000 0.337 466 Y C -1.617 174.020 175.900 -0.439 0.000 1.108 466 Y CA -1.305 56.468 58.100 -0.546 0.000 1.033 466 Y CB 0.900 39.071 38.460 -0.482 0.000 1.318 466 Y HN 0.311 nan 8.280 nan 0.000 0.459 467 V N 2.492 122.237 119.914 -0.281 0.000 2.483 467 V HA 0.927 5.047 4.120 -0.000 0.000 0.295 467 V C -0.798 175.153 176.094 -0.239 0.000 1.035 467 V CA -0.319 61.667 62.300 -0.523 0.000 0.896 467 V CB 1.086 32.270 31.823 -1.065 0.000 0.986 467 V HN 1.315 nan 8.190 nan 0.000 0.447 468 A N 6.522 129.199 122.820 -0.238 0.000 2.340 468 A HA 0.774 5.094 4.320 -0.000 0.000 0.297 468 A C -0.906 176.583 177.584 -0.158 0.000 1.195 468 A CA -0.461 51.564 52.037 -0.020 0.000 0.769 468 A CB 0.408 19.522 19.000 0.189 0.000 1.163 468 A HN 0.719 nan 8.150 nan 0.000 0.472 469 F N 1.639 121.596 119.950 0.012 0.000 2.418 469 F HA 0.439 4.966 4.527 0.000 0.000 0.341 469 F C 0.960 176.772 175.800 0.020 0.000 1.120 469 F CA 0.548 58.551 58.000 0.003 0.000 1.232 469 F CB 1.198 40.192 39.000 -0.009 0.000 1.175 469 F HN 0.390 nan 8.300 nan 0.000 0.569 470 K N 0.279 120.799 120.400 0.201 0.000 2.422 470 K HA 0.293 4.613 4.320 -0.000 0.000 0.251 470 K C -0.203 176.460 176.600 0.105 0.000 0.933 470 K CA -0.690 55.673 56.287 0.126 0.000 0.798 470 K CB 2.028 34.576 32.500 0.081 0.000 1.238 470 K HN 0.651 nan 8.250 nan 0.000 0.428 471 T N -1.638 112.969 114.554 0.090 0.000 3.418 471 T HA 0.132 4.482 4.350 -0.000 0.000 0.239 471 T C -0.130 174.581 174.700 0.019 0.000 0.905 471 T CA -0.271 61.873 62.100 0.074 0.000 0.929 471 T CB -0.348 68.597 68.868 0.128 0.000 1.121 471 T HN 0.430 nan 8.240 nan 0.000 0.608 472 D N 0.229 120.633 120.400 0.007 0.000 2.661 472 D HA 0.202 4.842 4.640 -0.000 0.000 0.228 472 D C 0.772 177.060 176.300 -0.020 0.000 1.210 472 D CA -0.361 53.618 54.000 -0.034 0.000 0.826 472 D CB 2.500 43.265 40.800 -0.058 0.000 1.542 472 D HN 0.199 nan 8.370 nan 0.000 0.447 473 S N 2.039 117.712 115.700 -0.044 0.000 2.522 473 S HA -0.003 4.467 4.470 -0.000 0.000 0.227 473 S C 1.008 175.588 174.600 -0.034 0.000 0.986 473 S CA 0.333 58.513 58.200 -0.033 0.000 0.929 473 S CB 0.231 63.394 63.200 -0.061 0.000 0.769 473 S HN 0.453 nan 8.310 nan 0.000 0.529 474 R N 1.632 122.107 120.500 -0.041 0.000 2.655 474 R HA 0.335 4.675 4.340 -0.000 0.000 0.261 474 R C -3.213 173.073 176.300 -0.024 0.000 1.624 474 R CA -1.664 54.417 56.100 -0.031 0.000 1.655 474 R CB 1.006 31.280 30.300 -0.043 0.000 1.356 474 R HN 0.241 nan 8.270 nan 0.000 0.684 475 P HA 0.056 nan 4.420 nan 0.000 0.274 475 P C -0.802 176.502 177.300 0.006 0.000 1.231 475 P CA -0.122 62.977 63.100 -0.002 0.000 0.790 475 P CB 1.601 33.313 31.700 0.019 0.000 0.951 476 S N 2.098 117.796 115.700 -0.004 0.000 2.552 476 S HA 0.513 4.983 4.470 -0.000 0.000 0.314 476 S C -0.433 174.146 174.600 -0.034 0.000 1.099 476 S CA -0.818 57.376 58.200 -0.011 0.000 1.070 476 S CB -0.247 62.936 63.200 -0.028 0.000 0.998 476 S HN 0.210 nan 8.310 nan 0.000 0.474 477 I N 4.083 124.650 120.570 -0.004 0.000 2.395 477 I HA 0.451 4.621 4.170 -0.000 0.000 0.289 477 I C 0.444 176.435 176.117 -0.209 0.000 1.023 477 I CA -0.492 60.779 61.300 -0.047 0.000 1.350 477 I CB 1.377 39.441 38.000 0.107 0.000 1.409 477 I HN 0.742 nan 8.210 nan 0.000 0.507 478 A N 6.658 129.220 122.820 -0.430 0.000 2.277 478 A HA 0.447 4.767 4.320 -0.000 0.000 0.318 478 A C -0.391 176.951 177.584 -0.403 0.000 1.339 478 A CA -0.751 50.958 52.037 -0.547 0.000 0.875 478 A CB 0.089 18.454 19.000 -1.059 0.000 1.158 478 A HN 0.690 nan 8.150 nan 0.000 0.514 479 N N 1.784 120.296 118.700 -0.314 0.000 2.530 479 N HA 0.198 4.938 4.740 -0.000 0.000 0.273 479 N C 0.474 175.919 175.510 -0.108 0.000 1.173 479 N CA -0.417 52.500 53.050 -0.223 0.000 0.967 479 N CB 1.414 39.660 38.487 -0.402 0.000 1.109 479 N HN 0.439 nan 8.380 nan 0.000 0.453 480 L N 0.680 121.891 121.223 -0.020 0.000 2.513 480 L HA 0.351 4.691 4.340 -0.000 0.000 0.222 480 L C 0.617 177.483 176.870 -0.005 0.000 1.096 480 L CA 0.505 55.359 54.840 0.024 0.000 0.857 480 L CB -1.009 41.087 42.059 0.062 0.000 1.026 480 L HN 0.538 nan 8.230 nan 0.000 0.469 481 A N -1.836 120.971 122.820 -0.022 0.000 2.498 481 A HA 0.763 5.083 4.320 -0.000 0.000 0.298 481 A C 0.126 177.690 177.584 -0.033 0.000 1.075 481 A CA 0.070 52.094 52.037 -0.022 0.000 0.714 481 A CB 1.542 20.539 19.000 -0.006 0.000 1.299 481 A HN 0.361 nan 8.150 nan 0.000 0.407 482 G N 0.091 108.876 108.800 -0.025 0.000 2.498 482 G HA2 0.341 4.301 3.960 -0.000 0.000 0.651 482 G HA3 0.341 4.301 3.960 -0.000 0.000 0.651 482 G C -0.355 174.520 174.900 -0.042 0.000 1.284 482 G CA -0.006 45.084 45.100 -0.018 0.000 0.950 482 G HN 1.648 nan 8.290 nan 0.000 0.511 483 E N 0.220 120.400 120.200 -0.034 0.000 2.414 483 E HA 0.355 4.705 4.350 -0.000 0.000 0.263 483 E C 1.126 177.695 176.600 -0.052 0.000 1.000 483 E CA 0.846 57.223 56.400 -0.039 0.000 0.914 483 E CB -0.287 29.397 29.700 -0.025 0.000 0.948 483 E HN 0.835 nan 8.360 nan 0.000 0.444 484 N N 1.818 120.491 118.700 -0.044 0.000 2.678 484 N HA -0.282 4.458 4.740 -0.000 0.000 0.249 484 N C -0.756 174.705 175.510 -0.081 0.000 1.119 484 N CA 0.574 53.594 53.050 -0.050 0.000 0.718 484 N CB -0.930 37.535 38.487 -0.037 0.000 1.060 484 N HN 0.610 nan 8.380 nan 0.000 0.552 485 S N -1.600 114.050 115.700 -0.083 0.000 2.652 485 S HA 0.371 4.841 4.470 -0.000 0.000 0.267 485 S C 1.551 176.123 174.600 -0.047 0.000 1.201 485 S CA -0.585 57.558 58.200 -0.094 0.000 0.996 485 S CB 1.316 64.468 63.200 -0.081 0.000 1.054 485 S HN -0.034 nan 8.310 nan 0.000 0.561 486 V N 0.689 120.588 119.914 -0.026 0.000 2.332 486 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 486 V C 2.339 178.450 176.094 0.028 0.000 1.055 486 V CA 1.600 63.910 62.300 0.016 0.000 1.038 486 V CB -0.873 30.989 31.823 0.065 0.000 0.651 486 V HN 0.733 nan 8.190 nan 0.000 0.450 487 I N 0.196 120.782 120.570 0.027 0.000 2.202 487 I HA -0.185 3.985 4.170 -0.000 0.000 0.242 487 I C 2.366 178.496 176.117 0.022 0.000 1.091 487 I CA 1.820 63.145 61.300 0.042 0.000 1.368 487 I CB -1.224 36.789 38.000 0.023 0.000 1.058 487 I HN 0.385 nan 8.210 nan 0.000 0.410 488 D N 1.036 121.435 120.400 -0.002 0.000 2.221 488 D HA -0.206 4.434 4.640 -0.000 0.000 0.204 488 D C 1.639 177.936 176.300 -0.004 0.000 0.982 488 D CA 1.341 55.335 54.000 -0.009 0.000 0.857 488 D CB -0.176 40.609 40.800 -0.025 0.000 0.934 488 D HN 0.370 nan 8.370 nan 0.000 0.475 489 N N -1.300 117.399 118.700 -0.002 0.000 2.280 489 N HA 0.157 4.897 4.740 -0.000 0.000 0.192 489 N C -0.364 175.150 175.510 0.007 0.000 1.109 489 N CA -0.267 52.783 53.050 -0.001 0.000 0.855 489 N CB 0.576 39.059 38.487 -0.006 0.000 0.974 489 N HN 0.137 nan 8.380 nan 0.000 0.482 490 L N 1.492 122.725 121.223 0.016 0.000 2.350 490 L HA 0.384 4.724 4.340 -0.000 0.000 0.275 490 L C -2.127 174.752 176.870 0.015 0.000 1.099 490 L CA -2.022 52.829 54.840 0.019 0.000 0.808 490 L CB 0.649 42.729 42.059 0.035 0.000 1.149 490 L HN -0.211 nan 8.230 nan 0.000 0.442 491 P HA -0.052 nan 4.420 nan 0.000 0.266 491 P C 0.422 177.729 177.300 0.012 0.000 1.195 491 P CA 0.046 63.150 63.100 0.006 0.000 0.768 491 P CB 0.581 32.281 31.700 -0.000 0.000 0.838 492 E N 2.284 122.491 120.200 0.011 0.000 2.130 492 E HA -0.280 4.070 4.350 -0.000 0.000 0.196 492 E C 1.173 177.784 176.600 0.018 0.000 0.998 492 E CA 1.339 57.749 56.400 0.017 0.000 0.806 492 E CB 0.042 29.748 29.700 0.010 0.000 0.738 492 E HN 0.461 nan 8.360 nan 0.000 0.459 493 E N -0.223 119.981 120.200 0.007 0.000 2.208 493 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 493 E C 2.189 178.785 176.600 -0.007 0.000 0.988 493 E CA 0.813 57.214 56.400 0.001 0.000 0.828 493 E CB 0.257 29.955 29.700 -0.004 0.000 0.763 493 E HN 0.232 nan 8.360 nan 0.000 0.478 494 V N 0.971 120.880 119.914 -0.009 0.000 2.427 494 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 494 V C 2.441 178.517 176.094 -0.030 0.000 1.051 494 V CA 1.049 63.333 62.300 -0.027 0.000 1.048 494 V CB -0.339 31.470 31.823 -0.024 0.000 0.666 494 V HN 0.071 nan 8.190 nan 0.000 0.456 495 V N 0.398 120.330 119.914 0.030 0.000 2.358 495 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 495 V C 2.730 178.898 176.094 0.125 0.000 1.047 495 V CA 1.893 64.267 62.300 0.124 0.000 1.035 495 V CB -1.075 30.841 31.823 0.155 0.000 0.658 495 V HN 0.538 nan 8.190 nan 0.000 0.452 496 A N 0.677 123.538 122.820 0.069 0.000 1.865 496 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 496 A C 2.012 179.605 177.584 0.016 0.000 1.191 496 A CA 2.535 54.605 52.037 0.056 0.000 0.623 496 A CB -0.866 18.153 19.000 0.031 0.000 0.826 496 A HN 0.653 nan 8.150 nan 0.000 0.444 497 N N -0.197 118.487 118.700 -0.026 0.000 2.331 497 N HA -0.049 4.691 4.740 -0.000 0.000 0.180 497 N C 1.765 177.199 175.510 -0.127 0.000 1.019 497 N CA 1.195 54.211 53.050 -0.057 0.000 0.881 497 N CB -0.041 38.415 38.487 -0.051 0.000 0.972 497 N HN 0.414 nan 8.380 nan 0.000 0.435 498 S N -0.422 115.134 115.700 -0.239 0.000 2.406 498 S HA -0.038 4.432 4.470 -0.000 0.000 0.228 498 S C 0.665 174.908 174.600 -0.595 0.000 1.020 498 S CA 0.898 58.805 58.200 -0.489 0.000 0.965 498 S CB -0.117 62.636 63.200 -0.745 0.000 0.798 498 S HN 0.425 nan 8.310 nan 0.000 0.488 499 Y N 0.364 120.656 120.300 -0.014 0.000 2.481 499 Y HA 0.399 4.949 4.550 -0.000 0.000 0.247 499 Y C 1.533 177.426 175.900 -0.012 0.000 1.151 499 Y CA -0.494 57.598 58.100 -0.014 0.000 1.238 499 Y CB -0.073 38.379 38.460 -0.013 0.000 1.179 499 Y HN 0.242 nan 8.280 nan 0.000 0.524 500 G N 1.322 110.164 108.800 0.069 0.000 2.272 500 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.280 500 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.280 500 G C -0.417 174.516 174.900 0.055 0.000 1.067 500 G CA 0.039 45.165 45.100 0.044 0.000 0.902 500 G HN 0.274 nan 8.290 nan 0.000 0.500 501 L N -0.258 121.006 121.223 0.068 0.000 2.346 501 L HA 0.520 4.860 4.340 -0.000 0.000 0.274 501 L C -1.879 175.013 176.870 0.037 0.000 1.007 501 L CA -2.519 52.356 54.840 0.058 0.000 0.818 501 L CB 1.988 44.096 42.059 0.081 0.000 1.284 501 L HN -0.097 nan 8.230 nan 0.000 0.424 502 P HA 0.073 nan 4.420 nan 0.000 0.269 502 P C 0.323 177.633 177.300 0.018 0.000 1.215 502 P CA -0.350 62.759 63.100 0.016 0.000 0.780 502 P CB 0.593 32.299 31.700 0.011 0.000 0.898 503 R N 1.721 122.229 120.500 0.013 0.000 2.153 503 R HA -0.259 4.080 4.340 -0.000 0.000 0.252 503 R C 1.990 178.296 176.300 0.010 0.000 1.158 503 R CA 2.415 58.522 56.100 0.012 0.000 0.975 503 R CB -0.337 29.968 30.300 0.007 0.000 0.871 503 R HN 0.532 nan 8.270 nan 0.000 0.450 504 E N -0.039 120.166 120.200 0.007 0.000 2.107 504 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 504 E C 1.769 178.370 176.600 0.003 0.000 0.982 504 E CA 1.390 57.792 56.400 0.003 0.000 0.809 504 E CB -0.164 29.537 29.700 0.001 0.000 0.756 504 E HN 0.599 nan 8.360 nan 0.000 0.459 505 Q N -0.267 119.537 119.800 0.007 0.000 2.230 505 Q HA 0.287 4.627 4.340 -0.000 0.000 0.202 505 Q C 2.111 178.115 176.000 0.007 0.000 0.963 505 Q CA 1.388 57.193 55.803 0.004 0.000 0.866 505 Q CB -0.379 28.362 28.738 0.006 0.000 0.931 505 Q HN 0.566 nan 8.270 nan 0.000 0.452 506 A N 0.430 123.262 122.820 0.021 0.000 1.897 506 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 506 A C 1.916 179.510 177.584 0.017 0.000 1.181 506 A CA 1.157 53.215 52.037 0.035 0.000 0.620 506 A CB -0.278 18.753 19.000 0.051 0.000 0.821 506 A HN 0.219 nan 8.150 nan 0.000 0.443 507 R N -0.510 119.995 120.500 0.009 0.000 2.105 507 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 507 R C 2.445 178.739 176.300 -0.010 0.000 1.135 507 R CA 1.717 57.816 56.100 -0.001 0.000 0.967 507 R CB -0.301 29.998 30.300 -0.003 0.000 0.861 507 R HN 0.687 nan 8.270 nan 0.000 0.442 508 Q N 0.188 119.981 119.800 -0.011 0.000 2.046 508 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 508 Q C 2.111 178.096 176.000 -0.026 0.000 0.975 508 Q CA 1.018 56.810 55.803 -0.018 0.000 0.836 508 Q CB -0.132 28.596 28.738 -0.017 0.000 0.896 508 Q HN 0.145 nan 8.270 nan 0.000 0.428 509 L N 1.393 122.598 121.223 -0.030 0.000 2.043 509 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 509 L C 1.924 178.773 176.870 -0.034 0.000 1.075 509 L CA 1.888 56.700 54.840 -0.046 0.000 0.752 509 L CB -0.248 41.770 42.059 -0.067 0.000 0.891 509 L HN 0.081 nan 8.230 nan 0.000 0.432 510 K N -1.167 119.221 120.400 -0.019 0.000 2.103 510 K HA -0.026 4.294 4.320 -0.000 0.000 0.204 510 K C 1.378 177.961 176.600 -0.028 0.000 1.052 510 K CA 1.323 57.601 56.287 -0.016 0.000 0.945 510 K CB -0.045 32.452 32.500 -0.006 0.000 0.722 510 K HN 0.439 nan 8.250 nan 0.000 0.443 511 N N 0.015 118.695 118.700 -0.032 0.000 2.273 511 N HA 0.017 4.757 4.740 -0.000 0.000 0.192 511 N C 0.984 176.459 175.510 -0.059 0.000 1.132 511 N CA 0.145 53.168 53.050 -0.045 0.000 0.887 511 N CB 0.176 38.639 38.487 -0.039 0.000 1.048 511 N HN 0.060 nan 8.380 nan 0.000 0.490 512 N N 1.584 120.257 118.700 -0.046 0.000 2.205 512 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 512 N C 0.344 175.819 175.510 -0.058 0.000 1.015 512 N CA 0.946 53.970 53.050 -0.043 0.000 0.862 512 N CB -0.304 38.169 38.487 -0.024 0.000 0.986 512 N HN 0.217 nan 8.380 nan 0.000 0.429 513 N N 0.948 119.618 118.700 -0.051 0.000 2.527 513 N HA 0.157 4.897 4.740 -0.000 0.000 0.236 513 N C -2.162 173.259 175.510 -0.150 0.000 0.999 513 N CA -1.963 51.058 53.050 -0.048 0.000 0.935 513 N CB 1.243 39.754 38.487 0.041 0.000 1.132 513 N HN 0.042 nan 8.380 nan 0.000 0.511 514 P HA 0.107 nan 4.420 nan 0.000 0.249 514 P C -0.508 176.557 177.300 -0.393 0.000 1.229 514 P CA 0.166 63.016 63.100 -0.417 0.000 0.788 514 P CB 0.039 31.409 31.700 -0.551 0.000 1.072 515 F N 1.056 121.009 119.950 0.006 0.000 2.378 515 F HA 0.407 4.934 4.527 -0.000 0.000 0.325 515 F C 1.239 177.042 175.800 0.006 0.000 1.097 515 F CA -0.812 57.198 58.000 0.018 0.000 1.079 515 F CB 0.798 39.817 39.000 0.031 0.000 1.240 515 F HN -0.424 nan 8.300 nan 0.000 0.519 516 K N 1.601 122.153 120.400 0.253 0.000 2.206 516 K HA 0.522 4.842 4.320 -0.000 0.000 0.264 516 K C -0.575 176.126 176.600 0.169 0.000 0.967 516 K CA -0.482 55.891 56.287 0.143 0.000 0.844 516 K CB 1.429 34.087 32.500 0.262 0.000 1.099 516 K HN 0.626 nan 8.250 nan 0.000 0.441 517 F N -0.456 119.347 119.950 -0.244 0.000 2.542 517 F HA -0.378 4.149 4.527 -0.000 0.000 0.713 517 F C 0.241 175.641 175.800 -0.667 0.000 0.486 517 F CA 1.239 58.871 58.000 -0.614 0.000 0.763 517 F CB -1.220 37.053 39.000 -1.213 0.000 1.628 517 F HN 0.418 nan 8.300 nan 0.000 0.270 518 F N 0.517 120.458 119.950 -0.015 0.000 2.458 518 F HA 0.653 5.180 4.527 -0.000 0.000 0.330 518 F C -0.025 175.713 175.800 -0.103 0.000 1.082 518 F CA -1.369 56.554 58.000 -0.128 0.000 0.995 518 F CB 1.354 40.194 39.000 -0.267 0.000 1.170 518 F HN -0.309 nan 8.300 nan 0.000 0.478 519 V N 3.407 123.382 119.914 0.101 0.000 2.444 519 V HA 0.418 4.538 4.120 -0.000 0.000 0.294 519 V C -2.241 173.803 176.094 -0.084 0.000 1.022 519 V CA -2.137 60.162 62.300 -0.002 0.000 0.850 519 V CB 1.857 33.742 31.823 0.104 0.000 0.992 519 V HN 0.512 nan 8.190 nan 0.000 0.426 520 P HA 0.231 nan 4.420 nan 0.000 0.271 520 P C -2.500 174.777 177.300 -0.037 0.000 1.233 520 P CA -0.924 62.084 63.100 -0.152 0.000 0.789 520 P CB -0.224 31.340 31.700 -0.225 0.000 0.951 521 P HA 0.000 nan 4.420 nan 0.000 0.216 521 P CA 0.000 63.110 63.100 0.016 0.000 0.800 521 P CB 0.000 31.712 31.700 0.020 0.000 0.726