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 2zf5_1_O DATA FIRST_RESID 1 DATA SEQUENCE MEKFVLSLDE GTTSARAIIF DRESNIHGIG QYEFPQHYPR PGWVEHNPEE DATA SEQUENCE IWDAQLRAIK DAIQSARIEP NQIAAIGVTN QRETTLVWDK DGKPLYNAIV DATA SEQUENCE WQCRRTAEMV EEIKREYGTM IKEKTGLVPD AYFSASKLKW LLDNVPGLRE DATA SEQUENCE KAEKGEVMFG TVDTFLIYRL TGEHVTDYSN ASRTMLFNIK KLDWDDELLE DATA SEQUENCE LFDIPESVLP EVRESSEVYG YTKKELLGAE IPVSGDAGDQ QAALFGQAAF DATA SEQUENCE EAGMVKATYG TGSFILVNTD KMVLYSDNLL TTIAWGLNGR VSYALEGSIF DATA SEQUENCE VTGAAVQWLR DGIKIIKHAS ETEELATKLE SNEGVYFVPA FVGLGAPYWD DATA SEQUENCE QFARGIIIGI TRGTGREHLA RATLEAIAYL TRDVVDEMEK LVQIKELRVD DATA SEQUENCE GGATANDFLM QFQADILNRK VIRPVVKETT ALGAAYLAGL AVDYWADTRE DATA SEQUENCE IAELWKAERI FEPKMDEKTR ERLYKGWKEA VKRAMGWAKV VDSA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.252 176.300 -0.080 0.000 1.140 1 M CA 0.000 55.280 55.300 -0.034 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 2 E N 3.364 123.500 120.200 -0.106 0.000 2.259 2 E HA 0.411 4.761 4.350 0.001 0.000 0.281 2 E C -1.051 175.312 176.600 -0.395 0.000 1.027 2 E CA -0.201 56.032 56.400 -0.279 0.000 0.838 2 E CB 1.165 30.672 29.700 -0.322 0.000 1.066 2 E HN 0.592 nan 8.360 nan 0.000 0.401 3 K N 2.975 123.115 120.400 -0.434 0.000 2.139 3 K HA 0.496 4.817 4.320 0.001 0.000 0.243 3 K C -0.963 175.378 176.600 -0.432 0.000 0.983 3 K CA -0.600 55.528 56.287 -0.266 0.000 0.890 3 K CB 1.055 33.537 32.500 -0.030 0.000 1.090 3 K HN 0.323 nan 8.250 nan 0.000 0.445 4 F N -0.465 119.518 119.950 0.055 0.000 2.626 4 F HA 0.341 4.869 4.527 0.001 0.000 0.311 4 F C -0.566 175.055 175.800 -0.297 0.000 1.088 4 F CA -1.147 56.786 58.000 -0.111 0.000 0.949 4 F CB 1.438 40.370 39.000 -0.113 0.000 1.322 4 F HN 0.012 nan 8.300 nan 0.000 0.461 5 V N 2.920 122.707 119.914 -0.212 0.000 2.427 5 V HA 0.433 4.553 4.120 0.001 0.000 0.286 5 V C -0.586 175.564 176.094 0.095 0.000 1.034 5 V CA -0.677 61.542 62.300 -0.135 0.000 0.893 5 V CB 1.535 33.236 31.823 -0.203 0.000 0.982 5 V HN 0.563 nan 8.190 nan 0.000 0.452 6 L N 4.352 125.619 121.223 0.074 0.000 2.325 6 L HA 0.788 5.128 4.340 0.001 0.000 0.279 6 L C 0.067 177.013 176.870 0.127 0.000 1.054 6 L CA 0.663 55.555 54.840 0.087 0.000 0.804 6 L CB 1.842 43.927 42.059 0.044 0.000 1.200 6 L HN 0.724 nan 8.230 nan 0.000 0.436 7 S N 5.420 121.213 115.700 0.154 0.000 2.614 7 S HA 0.617 5.088 4.470 0.001 0.000 0.288 7 S C -1.063 173.610 174.600 0.122 0.000 1.137 7 S CA -0.804 57.494 58.200 0.164 0.000 0.992 7 S CB 0.635 63.992 63.200 0.262 0.000 1.026 7 S HN 0.654 nan 8.310 nan 0.000 0.486 8 L N 3.932 125.213 121.223 0.097 0.000 2.265 8 L HA 0.500 4.840 4.340 0.001 0.000 0.288 8 L C -0.356 176.574 176.870 0.100 0.000 1.058 8 L CA -0.672 54.221 54.840 0.088 0.000 0.809 8 L CB 0.920 43.026 42.059 0.078 0.000 1.179 8 L HN 0.613 nan 8.230 nan 0.000 0.429 9 D N 3.221 123.685 120.400 0.108 0.000 2.477 9 D HA 0.042 4.683 4.640 0.001 0.000 0.239 9 D C -0.274 176.106 176.300 0.134 0.000 1.102 9 D CA -0.316 53.754 54.000 0.116 0.000 0.901 9 D CB 0.809 41.681 40.800 0.119 0.000 1.026 9 D HN 0.307 nan 8.370 nan 0.000 0.515 10 E N 2.601 122.887 120.200 0.142 0.000 1.893 10 E HA 0.344 4.695 4.350 0.001 0.000 0.269 10 E C 0.151 176.884 176.600 0.221 0.000 1.129 10 E CA -0.407 56.099 56.400 0.178 0.000 0.904 10 E CB 0.317 30.112 29.700 0.160 0.000 1.077 10 E HN 0.548 nan 8.360 nan 0.000 0.407 11 G N 2.262 111.210 108.800 0.247 0.000 2.563 11 G HA2 0.091 4.052 3.960 0.001 0.000 0.283 11 G HA3 0.091 4.052 3.960 0.001 0.000 0.283 11 G C 0.880 176.001 174.900 0.369 0.000 1.309 11 G CA -0.099 45.163 45.100 0.270 0.000 1.022 11 G HN 0.437 nan 8.290 nan 0.000 0.501 12 T N -0.502 114.287 114.554 0.392 0.000 2.904 12 T HA -0.061 4.289 4.350 0.001 0.000 0.267 12 T C 2.297 177.088 174.700 0.152 0.000 1.059 12 T CA 1.969 64.368 62.100 0.498 0.000 1.137 12 T CB -0.169 69.070 68.868 0.618 0.000 0.879 12 T HN 0.675 nan 8.240 nan 0.000 0.467 13 T N -2.643 111.881 114.554 -0.049 0.000 2.975 13 T HA 0.384 4.735 4.350 0.001 0.000 0.261 13 T C 0.551 174.877 174.700 -0.623 0.000 0.984 13 T CA -0.375 61.469 62.100 -0.427 0.000 0.911 13 T CB 0.504 69.288 68.868 -0.139 0.000 1.127 13 T HN 0.105 nan 8.240 nan 0.000 0.514 14 S N 0.524 116.116 115.700 -0.180 0.000 2.575 14 S HA 0.745 5.216 4.470 0.001 0.000 0.278 14 S C -1.251 173.513 174.600 0.275 0.000 1.139 14 S CA -0.607 57.624 58.200 0.051 0.000 0.954 14 S CB 1.383 64.609 63.200 0.045 0.000 1.054 14 S HN 0.676 nan 8.310 nan 0.000 0.483 15 A N 3.985 127.016 122.820 0.352 0.000 2.276 15 A HA 0.858 5.178 4.320 0.001 0.000 0.316 15 A C -0.112 177.580 177.584 0.181 0.000 1.229 15 A CA -0.515 51.677 52.037 0.258 0.000 0.851 15 A CB 0.699 19.826 19.000 0.211 0.000 1.165 15 A HN 0.791 nan 8.150 nan 0.000 0.513 16 R N 0.468 121.047 120.500 0.133 0.000 2.867 16 R HA 0.818 5.158 4.340 0.001 0.000 0.268 16 R C -1.049 175.294 176.300 0.072 0.000 1.014 16 R CA -0.064 56.094 56.100 0.096 0.000 0.946 16 R CB 2.321 32.675 30.300 0.090 0.000 1.208 16 R HN 1.081 nan 8.270 nan 0.000 0.477 17 A N 2.245 125.091 122.820 0.043 0.000 2.459 17 A HA 0.675 4.995 4.320 0.001 0.000 0.296 17 A C -1.691 175.877 177.584 -0.027 0.000 1.039 17 A CA -0.483 51.566 52.037 0.020 0.000 0.698 17 A CB 1.006 20.009 19.000 0.005 0.000 1.261 17 A HN 0.437 nan 8.150 nan 0.000 0.405 18 I N 2.215 122.756 120.570 -0.049 0.000 2.534 18 I HA 0.423 4.594 4.170 0.001 0.000 0.288 18 I C -0.632 175.311 176.117 -0.289 0.000 1.077 18 I CA -0.046 61.114 61.300 -0.234 0.000 1.051 18 I CB 1.912 39.715 38.000 -0.329 0.000 1.234 18 I HN 0.591 nan 8.210 nan 0.000 0.425 19 I N 6.033 126.406 120.570 -0.328 0.000 2.331 19 I HA 0.404 4.575 4.170 0.001 0.000 0.292 19 I C -0.818 175.102 176.117 -0.328 0.000 0.998 19 I CA -0.103 61.067 61.300 -0.218 0.000 1.267 19 I CB 0.568 38.450 38.000 -0.197 0.000 1.386 19 I HN 0.308 nan 8.210 nan 0.000 0.476 20 F N 4.086 124.079 119.950 0.071 0.000 2.507 20 F HA 0.406 4.933 4.527 0.001 0.000 0.327 20 F C 0.165 176.139 175.800 0.291 0.000 1.068 20 F CA -0.790 57.319 58.000 0.181 0.000 0.965 20 F CB 1.268 40.397 39.000 0.216 0.000 1.192 20 F HN 0.430 nan 8.300 nan 0.000 0.476 21 D N -0.044 120.700 120.400 0.574 0.000 2.384 21 D HA 0.237 4.877 4.640 0.001 0.000 0.250 21 D C 0.677 177.315 176.300 0.565 0.000 1.029 21 D CA -0.941 53.361 54.000 0.504 0.000 0.990 21 D CB 0.819 41.859 40.800 0.400 0.000 1.175 21 D HN 0.619 nan 8.370 nan 0.000 0.532 22 R N -0.318 120.432 120.500 0.417 0.000 2.339 22 R HA -0.008 4.332 4.340 0.001 0.000 0.199 22 R C 0.572 177.229 176.300 0.595 0.000 1.018 22 R CA 0.827 57.180 56.100 0.421 0.000 1.036 22 R CB -0.154 30.022 30.300 -0.207 0.000 0.899 22 R HN 0.432 nan 8.270 nan 0.000 0.473 23 E N 0.975 121.454 120.200 0.465 0.000 2.474 23 E HA -0.033 4.318 4.350 0.001 0.000 0.195 23 E C -0.105 176.752 176.600 0.429 0.000 1.039 23 E CA 0.719 57.359 56.400 0.399 0.000 0.881 23 E CB 0.530 30.392 29.700 0.271 0.000 0.970 23 E HN 0.446 nan 8.360 nan 0.000 0.486 24 S N -0.477 115.559 115.700 0.560 0.000 3.696 24 S HA -0.174 4.297 4.470 0.001 0.000 0.302 24 S C -0.403 174.492 174.600 0.491 0.000 1.182 24 S CA 0.459 58.964 58.200 0.507 0.000 0.857 24 S CB -2.546 60.852 63.200 0.329 0.000 0.960 24 S HN 0.265 nan 8.310 nan 0.000 0.559 25 N N 1.055 120.042 118.700 0.478 0.000 2.515 25 N HA 0.616 5.357 4.740 0.001 0.000 0.279 25 N C 0.293 176.047 175.510 0.406 0.000 1.164 25 N CA -0.222 53.057 53.050 0.381 0.000 0.982 25 N CB 0.810 39.486 38.487 0.316 0.000 1.170 25 N HN 0.587 nan 8.380 nan 0.000 0.474 26 I N 1.015 121.687 120.570 0.170 0.000 2.440 26 I HA 0.148 4.319 4.170 0.001 0.000 0.294 26 I C 1.250 177.346 176.117 -0.036 0.000 0.995 26 I CA -0.300 60.971 61.300 -0.049 0.000 1.306 26 I CB 1.007 38.901 38.000 -0.178 0.000 1.407 26 I HN 0.487 nan 8.210 nan 0.000 0.501 27 H N 3.309 122.230 119.070 -0.247 0.000 3.400 27 H HA 0.307 4.863 4.556 0.001 0.000 0.251 27 H C 0.473 175.646 175.328 -0.257 0.000 1.040 27 H CA -0.044 55.847 56.048 -0.260 0.000 1.175 27 H CB 1.892 31.380 29.762 -0.457 0.000 1.487 27 H HN 0.739 nan 8.280 nan 0.000 0.505 28 G N 1.019 109.719 108.800 -0.166 0.000 2.755 28 G HA2 0.510 4.470 3.960 0.001 0.000 0.297 28 G HA3 0.510 4.470 3.960 0.001 0.000 0.297 28 G C -1.638 173.165 174.900 -0.162 0.000 1.441 28 G CA -0.504 44.504 45.100 -0.153 0.000 0.964 28 G HN 0.042 nan 8.290 nan 0.000 0.540 29 I N 0.716 121.214 120.570 -0.119 0.000 2.619 29 I HA 0.717 4.888 4.170 0.001 0.000 0.292 29 I C 0.402 176.480 176.117 -0.064 0.000 1.100 29 I CA -0.709 60.531 61.300 -0.100 0.000 1.043 29 I CB 2.778 40.721 38.000 -0.095 0.000 1.239 29 I HN 0.700 nan 8.210 nan 0.000 0.420 30 G N 4.230 113.010 108.800 -0.032 0.000 2.524 30 G HA2 0.782 4.742 3.960 0.001 0.000 0.310 30 G HA3 0.782 4.742 3.960 0.001 0.000 0.310 30 G C -1.638 173.268 174.900 0.010 0.000 1.279 30 G CA -0.414 44.694 45.100 0.014 0.000 0.974 30 G HN 0.616 nan 8.290 nan 0.000 0.484 31 Q N 0.544 120.304 119.800 -0.067 0.000 2.327 31 Q HA 0.477 4.818 4.340 0.001 0.000 0.265 31 Q C -2.292 173.577 176.000 -0.218 0.000 0.993 31 Q CA -0.953 54.823 55.803 -0.045 0.000 0.885 31 Q CB 1.928 30.630 28.738 -0.061 0.000 1.379 31 Q HN 0.527 nan 8.270 nan 0.000 0.408 32 Y N 0.405 120.728 120.300 0.038 0.000 2.421 32 Y HA 0.296 4.847 4.550 0.001 0.000 0.339 32 Y C -0.249 175.697 175.900 0.078 0.000 0.996 32 Y CA -0.771 57.357 58.100 0.045 0.000 1.046 32 Y CB 2.411 40.895 38.460 0.040 0.000 1.226 32 Y HN 0.551 nan 8.280 nan 0.000 0.445 33 E N 3.674 123.964 120.200 0.150 0.000 2.349 33 E HA 0.360 4.710 4.350 0.001 0.000 0.265 33 E C -1.167 175.488 176.600 0.091 0.000 1.064 33 E CA -0.337 56.065 56.400 0.003 0.000 0.886 33 E CB 1.201 30.865 29.700 -0.061 0.000 1.036 33 E HN 0.443 nan 8.360 nan 0.000 0.413 34 F N -1.260 118.696 119.950 0.011 0.000 2.620 34 F HA 0.622 5.150 4.527 0.001 0.000 0.320 34 F C -2.787 172.975 175.800 -0.064 0.000 1.069 34 F CA -3.447 54.548 58.000 -0.009 0.000 0.953 34 F CB 0.071 39.058 39.000 -0.021 0.000 1.322 34 F HN 0.117 nan 8.300 nan 0.000 0.479 35 P HA 0.164 nan 4.420 nan 0.000 0.271 35 P C -1.198 175.901 177.300 -0.335 0.000 1.218 35 P CA -0.225 62.764 63.100 -0.185 0.000 0.780 35 P CB 0.596 32.191 31.700 -0.176 0.000 0.901 36 Q N 1.835 121.362 119.800 -0.454 0.000 2.290 36 Q HA 0.309 4.649 4.340 0.001 0.000 0.259 36 Q C -0.595 174.828 176.000 -0.962 0.000 0.941 36 Q CA -0.238 55.247 55.803 -0.532 0.000 0.912 36 Q CB 0.908 29.380 28.738 -0.442 0.000 1.244 36 Q HN 0.550 nan 8.270 nan 0.000 0.441 37 H N 1.658 120.463 119.070 -0.442 0.000 2.504 37 H HA 0.296 4.853 4.556 0.001 0.000 0.322 37 H C -0.903 174.178 175.328 -0.412 0.000 1.055 37 H CA -0.313 55.533 56.048 -0.336 0.000 1.231 37 H CB 0.565 30.265 29.762 -0.103 0.000 1.417 37 H HN 0.405 nan 8.280 nan 0.000 0.472 38 Y N 4.074 124.444 120.300 0.117 0.000 2.960 38 Y HA 0.196 4.747 4.550 0.001 0.000 0.343 38 Y C -1.562 174.398 175.900 0.100 0.000 1.106 38 Y CA -2.990 55.168 58.100 0.097 0.000 1.221 38 Y CB 0.365 38.857 38.460 0.053 0.000 1.232 38 Y HN 0.671 nan 8.280 nan 0.000 0.577 39 P HA -0.012 nan 4.420 nan 0.000 0.226 39 P C 0.056 177.360 177.300 0.005 0.000 1.153 39 P CA 0.916 64.098 63.100 0.137 0.000 0.777 39 P CB 0.938 32.751 31.700 0.188 0.000 0.794 40 R N -1.330 119.150 120.500 -0.034 0.000 2.734 40 R HA 0.421 4.761 4.340 0.001 0.000 0.271 40 R C -2.998 173.225 176.300 -0.128 0.000 1.021 40 R CA -2.102 53.812 56.100 -0.310 0.000 0.893 40 R CB 1.140 30.803 30.300 -1.061 0.000 1.244 40 R HN -0.197 nan 8.270 nan 0.000 0.464 41 P HA 0.084 nan 4.420 nan 0.000 0.271 41 P C 0.381 177.748 177.300 0.111 0.000 1.226 41 P CA 0.699 63.794 63.100 -0.007 0.000 0.765 41 P CB 0.536 32.225 31.700 -0.018 0.000 0.835 42 G N 0.899 109.787 108.800 0.148 0.000 2.143 42 G HA2 -0.210 3.751 3.960 0.001 0.000 0.248 42 G HA3 -0.210 3.751 3.960 0.001 0.000 0.248 42 G C -0.698 174.402 174.900 0.333 0.000 0.991 42 G CA -0.571 44.651 45.100 0.204 0.000 0.689 42 G HN 0.344 nan 8.290 nan 0.000 0.522 43 W N -0.559 120.742 121.300 0.002 0.000 2.478 43 W HA 0.695 5.355 4.660 -0.000 0.000 0.318 43 W C -0.089 176.463 176.519 0.055 0.000 1.062 43 W CA -1.145 56.189 57.345 -0.018 0.000 1.210 43 W CB 1.887 31.339 29.460 -0.014 0.000 1.325 43 W HN 0.222 nan 8.180 nan 0.000 0.496 44 V N 3.064 123.051 119.914 0.123 0.000 2.686 44 V HA 0.491 4.612 4.120 0.001 0.000 0.306 44 V C -0.585 175.463 176.094 -0.077 0.000 1.065 44 V CA -1.249 61.094 62.300 0.072 0.000 0.894 44 V CB 1.930 33.735 31.823 -0.030 0.000 1.004 44 V HN 0.478 nan 8.190 nan 0.000 0.424 45 E N 2.457 122.618 120.200 -0.064 0.000 2.340 45 E HA 0.612 4.962 4.350 0.001 0.000 0.273 45 E C -1.617 175.025 176.600 0.071 0.000 0.891 45 E CA -0.947 55.431 56.400 -0.038 0.000 0.757 45 E CB 2.378 32.106 29.700 0.047 0.000 1.231 45 E HN 0.697 nan 8.360 nan 0.000 0.439 46 H N 0.864 120.006 119.070 0.121 0.000 2.529 46 H HA 0.273 4.829 4.556 0.001 0.000 0.348 46 H C -0.818 174.578 175.328 0.113 0.000 1.152 46 H CA -0.943 55.227 56.048 0.202 0.000 1.202 46 H CB 1.387 31.264 29.762 0.191 0.000 1.562 46 H HN 0.497 nan 8.280 nan 0.000 0.515 47 N N 3.175 122.033 118.700 0.262 0.000 2.408 47 N HA 0.096 4.837 4.740 0.001 0.000 0.257 47 N C -1.714 173.780 175.510 -0.026 0.000 1.064 47 N CA -1.402 51.671 53.050 0.039 0.000 0.952 47 N CB 1.280 39.781 38.487 0.023 0.000 1.093 47 N HN 0.192 nan 8.380 nan 0.000 0.490 48 P HA -0.131 nan 4.420 nan 0.000 0.220 48 P C 0.493 177.780 177.300 -0.020 0.000 1.148 48 P CA 1.000 63.938 63.100 -0.268 0.000 0.803 48 P CB 0.279 31.582 31.700 -0.662 0.000 0.782 49 E N 0.337 120.563 120.200 0.043 0.000 2.106 49 E HA -0.161 4.189 4.350 0.001 0.000 0.192 49 E C 1.837 178.519 176.600 0.136 0.000 0.984 49 E CA 1.029 57.516 56.400 0.145 0.000 0.806 49 E CB -0.365 29.398 29.700 0.104 0.000 0.750 49 E HN 0.512 nan 8.360 nan 0.000 0.458 50 E N 0.737 120.974 120.200 0.061 0.000 2.072 50 E HA -0.113 4.237 4.350 0.001 0.000 0.191 50 E C 2.340 178.881 176.600 -0.099 0.000 0.985 50 E CA 0.567 56.991 56.400 0.040 0.000 0.801 50 E CB -0.218 29.554 29.700 0.120 0.000 0.750 50 E HN 0.216 nan 8.360 nan 0.000 0.452 51 I N 1.043 121.439 120.570 -0.290 0.000 2.087 51 I HA -0.321 3.849 4.170 0.001 0.000 0.240 51 I C 2.502 178.600 176.117 -0.033 0.000 1.054 51 I CA 1.548 62.563 61.300 -0.474 0.000 1.311 51 I CB -0.428 37.304 38.000 -0.447 0.000 1.024 51 I HN 0.371 nan 8.210 nan 0.000 0.402 52 W N 2.126 123.401 121.300 -0.042 0.000 2.335 52 W HA -0.317 4.343 4.660 0.001 0.000 0.311 52 W C 2.309 178.798 176.519 -0.049 0.000 1.213 52 W CA 2.149 59.487 57.345 -0.010 0.000 1.274 52 W CB -0.229 29.249 29.460 0.030 0.000 1.148 52 W HN 0.305 nan 8.180 nan 0.000 0.498 53 D N 0.214 120.608 120.400 -0.010 0.000 2.144 53 D HA -0.165 4.475 4.640 0.001 0.000 0.199 53 D C 2.207 178.365 176.300 -0.238 0.000 0.984 53 D CA 2.228 56.126 54.000 -0.171 0.000 0.834 53 D CB -0.419 40.349 40.800 -0.052 0.000 0.955 53 D HN 0.028 nan 8.370 nan 0.000 0.465 54 A N -0.299 122.445 122.820 -0.128 0.000 1.930 54 A HA -0.170 4.151 4.320 0.001 0.000 0.217 54 A C 2.220 179.740 177.584 -0.106 0.000 1.175 54 A CA 1.736 53.732 52.037 -0.069 0.000 0.627 54 A CB -0.824 18.268 19.000 0.153 0.000 0.815 54 A HN 0.335 nan 8.150 nan 0.000 0.443 55 Q N -0.753 118.945 119.800 -0.170 0.000 2.046 55 Q HA -0.084 4.256 4.340 0.001 0.000 0.200 55 Q C 1.829 177.608 176.000 -0.368 0.000 0.975 55 Q CA 1.334 57.020 55.803 -0.195 0.000 0.836 55 Q CB -0.483 28.174 28.738 -0.135 0.000 0.896 55 Q HN 0.392 nan 8.270 nan 0.000 0.428 56 L N 0.749 121.566 121.223 -0.678 0.000 1.990 56 L HA -0.195 4.145 4.340 0.001 0.000 0.213 56 L C 2.350 179.004 176.870 -0.360 0.000 1.072 56 L CA 1.959 56.435 54.840 -0.607 0.000 0.755 56 L CB -0.838 40.770 42.059 -0.751 0.000 0.889 56 L HN 0.254 nan 8.230 nan 0.000 0.432 57 R N -1.199 119.072 120.500 -0.383 0.000 2.103 57 R HA -0.188 4.153 4.340 0.001 0.000 0.242 57 R C 2.092 178.279 176.300 -0.188 0.000 1.142 57 R CA 1.481 57.329 56.100 -0.420 0.000 0.960 57 R CB -0.604 29.136 30.300 -0.935 0.000 0.858 57 R HN 0.475 nan 8.270 nan 0.000 0.439 58 A N 1.066 123.861 122.820 -0.042 0.000 1.933 58 A HA -0.150 4.170 4.320 0.001 0.000 0.218 58 A C 2.157 179.764 177.584 0.038 0.000 1.175 58 A CA 1.225 53.363 52.037 0.170 0.000 0.628 58 A CB -0.442 18.669 19.000 0.185 0.000 0.814 58 A HN 0.202 nan 8.150 nan 0.000 0.444 59 I N -0.360 120.176 120.570 -0.056 0.000 2.179 59 I HA -0.297 3.873 4.170 0.001 0.000 0.242 59 I C 2.424 178.514 176.117 -0.046 0.000 1.088 59 I CA 1.733 62.996 61.300 -0.061 0.000 1.357 59 I CB -0.295 37.642 38.000 -0.104 0.000 1.051 59 I HN 0.275 nan 8.210 nan 0.000 0.409 60 K N 0.486 120.851 120.400 -0.058 0.000 2.074 60 K HA -0.226 4.095 4.320 0.001 0.000 0.209 60 K C 1.708 178.302 176.600 -0.010 0.000 1.048 60 K CA 1.823 58.085 56.287 -0.040 0.000 0.926 60 K CB -0.287 32.177 32.500 -0.060 0.000 0.713 60 K HN 0.265 nan 8.250 nan 0.000 0.444 61 D N 0.375 120.794 120.400 0.031 0.000 2.144 61 D HA -0.078 4.563 4.640 0.001 0.000 0.200 61 D C 1.815 178.111 176.300 -0.006 0.000 0.978 61 D CA 1.170 55.194 54.000 0.040 0.000 0.833 61 D CB -0.124 40.736 40.800 0.101 0.000 0.961 61 D HN 0.229 nan 8.370 nan 0.000 0.470 62 A N 0.343 123.153 122.820 -0.017 0.000 1.930 62 A HA -0.079 4.241 4.320 0.001 0.000 0.217 62 A C 2.321 179.863 177.584 -0.069 0.000 1.175 62 A CA 0.636 52.640 52.037 -0.055 0.000 0.627 62 A CB -0.554 18.407 19.000 -0.065 0.000 0.815 62 A HN 0.164 nan 8.150 nan 0.000 0.443 63 I N -0.541 119.997 120.570 -0.053 0.000 2.113 63 I HA -0.335 3.835 4.170 0.001 0.000 0.238 63 I C 2.845 178.931 176.117 -0.051 0.000 1.070 63 I CA 1.998 63.266 61.300 -0.053 0.000 1.332 63 I CB -0.390 37.590 38.000 -0.034 0.000 1.044 63 I HN 0.602 nan 8.210 nan 0.000 0.402 64 Q N 1.149 120.928 119.800 -0.035 0.000 1.985 64 Q HA -0.296 4.045 4.340 0.001 0.000 0.207 64 Q C 2.199 178.175 176.000 -0.041 0.000 0.996 64 Q CA 3.317 59.102 55.803 -0.029 0.000 0.851 64 Q CB -0.328 28.400 28.738 -0.016 0.000 0.921 64 Q HN 0.541 nan 8.270 nan 0.000 0.418 65 S N -0.483 115.189 115.700 -0.047 0.000 2.440 65 S HA -0.107 4.364 4.470 0.001 0.000 0.238 65 S C 1.821 176.373 174.600 -0.079 0.000 1.010 65 S CA 1.025 59.189 58.200 -0.060 0.000 0.972 65 S CB -0.404 62.757 63.200 -0.066 0.000 0.774 65 S HN 0.550 nan 8.310 nan 0.000 0.501 66 A N 0.863 123.626 122.820 -0.096 0.000 2.195 66 A HA 0.421 4.742 4.320 0.001 0.000 0.210 66 A C 1.059 178.579 177.584 -0.107 0.000 1.165 66 A CA -0.109 51.849 52.037 -0.132 0.000 0.806 66 A CB -0.434 18.441 19.000 -0.209 0.000 0.847 66 A HN 0.460 nan 8.150 nan 0.000 0.482 67 R N 0.039 120.499 120.500 -0.067 0.000 3.034 67 R HA -0.183 4.157 4.340 0.001 0.000 0.237 67 R C 0.065 176.357 176.300 -0.014 0.000 0.861 67 R CA 0.987 57.068 56.100 -0.032 0.000 0.588 67 R CB -1.747 28.545 30.300 -0.015 0.000 1.035 67 R HN 0.811 nan 8.270 nan 0.000 0.488 68 I N -3.086 117.468 120.570 -0.028 0.000 2.924 68 I HA 0.462 4.632 4.170 0.001 0.000 0.316 68 I C 0.570 176.705 176.117 0.030 0.000 1.014 68 I CA -1.008 60.310 61.300 0.029 0.000 1.106 68 I CB 1.394 39.419 38.000 0.042 0.000 1.311 68 I HN -0.130 nan 8.210 nan 0.000 0.502 69 E N 3.305 123.537 120.200 0.053 0.000 2.349 69 E HA 0.243 4.594 4.350 0.001 0.000 0.262 69 E C -1.758 174.872 176.600 0.049 0.000 1.088 69 E CA -2.175 54.250 56.400 0.042 0.000 0.899 69 E CB 0.841 30.568 29.700 0.044 0.000 1.044 69 E HN 0.461 nan 8.360 nan 0.000 0.420 70 P HA -0.188 nan 4.420 nan 0.000 0.216 70 P C 0.239 177.571 177.300 0.053 0.000 1.153 70 P CA 1.487 64.610 63.100 0.038 0.000 0.858 70 P CB 0.129 31.846 31.700 0.028 0.000 0.789 71 N N -0.254 118.476 118.700 0.050 0.000 2.513 71 N HA -0.146 4.595 4.740 0.001 0.000 0.187 71 N C 1.626 177.175 175.510 0.065 0.000 1.056 71 N CA 0.714 53.794 53.050 0.050 0.000 0.907 71 N CB -0.579 37.931 38.487 0.038 0.000 0.954 71 N HN 0.414 nan 8.380 nan 0.000 0.445 72 Q N -0.112 119.743 119.800 0.092 0.000 2.319 72 Q HA 0.250 4.590 4.340 0.001 0.000 0.202 72 Q C -0.387 175.712 176.000 0.163 0.000 0.896 72 Q CA -0.015 55.868 55.803 0.133 0.000 0.942 72 Q CB 0.579 29.446 28.738 0.214 0.000 1.083 72 Q HN 0.424 nan 8.270 nan 0.000 0.510 73 I N 0.676 121.316 120.570 0.118 0.000 2.297 73 I HA 0.157 4.327 4.170 0.001 0.000 0.291 73 I C 0.821 176.977 176.117 0.066 0.000 1.033 73 I CA -0.317 61.039 61.300 0.094 0.000 1.253 73 I CB 1.450 39.492 38.000 0.070 0.000 1.396 73 I HN 0.038 nan 8.210 nan 0.000 0.476 74 A N 5.402 128.249 122.820 0.044 0.000 1.970 74 A HA 0.573 4.893 4.320 0.001 0.000 0.216 74 A C 1.019 178.622 177.584 0.032 0.000 1.170 74 A CA 1.060 53.128 52.037 0.052 0.000 0.645 74 A CB 0.091 19.152 19.000 0.101 0.000 0.816 74 A HN 0.775 nan 8.150 nan 0.000 0.447 75 A N -1.233 121.586 122.820 -0.003 0.000 2.582 75 A HA 0.582 4.903 4.320 0.001 0.000 0.297 75 A C -1.197 176.392 177.584 0.009 0.000 1.059 75 A CA -0.513 51.521 52.037 -0.005 0.000 0.705 75 A CB 0.365 19.359 19.000 -0.009 0.000 1.279 75 A HN 0.207 nan 8.150 nan 0.000 0.404 76 I N 2.005 122.587 120.570 0.021 0.000 2.321 76 I HA 0.512 4.683 4.170 0.001 0.000 0.291 76 I C 0.920 177.073 176.117 0.061 0.000 0.998 76 I CA -0.307 61.020 61.300 0.045 0.000 1.227 76 I CB 1.904 39.932 38.000 0.047 0.000 1.368 76 I HN 0.777 nan 8.210 nan 0.000 0.466 77 G N 5.625 114.472 108.800 0.078 0.000 2.348 77 G HA2 0.556 4.517 3.960 0.001 0.000 0.312 77 G HA3 0.556 4.517 3.960 0.001 0.000 0.312 77 G C -0.779 174.171 174.900 0.084 0.000 1.126 77 G CA -0.317 44.833 45.100 0.082 0.000 0.865 77 G HN 0.343 nan 8.290 nan 0.000 0.474 78 V N 1.424 121.387 119.914 0.080 0.000 2.398 78 V HA 0.708 4.829 4.120 0.001 0.000 0.286 78 V C 0.376 176.501 176.094 0.052 0.000 1.026 78 V CA -0.369 61.971 62.300 0.067 0.000 0.868 78 V CB 1.504 33.358 31.823 0.053 0.000 0.982 78 V HN 0.834 nan 8.190 nan 0.000 0.443 79 T N 4.537 119.129 114.554 0.063 0.000 2.864 79 T HA 0.694 5.044 4.350 0.001 0.000 0.299 79 T C -1.229 173.516 174.700 0.076 0.000 1.166 79 T CA -0.695 61.439 62.100 0.056 0.000 1.007 79 T CB 1.748 70.647 68.868 0.052 0.000 1.219 79 T HN 1.032 nan 8.240 nan 0.000 0.506 80 N N 0.568 119.309 118.700 0.067 0.000 2.745 80 N HA 0.380 5.120 4.740 0.001 0.000 0.256 80 N C -1.351 174.205 175.510 0.077 0.000 1.268 80 N CA -1.180 51.926 53.050 0.094 0.000 0.887 80 N CB 0.920 39.463 38.487 0.094 0.000 1.575 80 N HN 0.671 nan 8.380 nan 0.000 0.496 81 Q N 0.195 120.081 119.800 0.143 0.000 2.315 81 Q HA 0.145 4.485 4.340 0.001 0.000 0.289 81 Q C 0.105 176.174 176.000 0.116 0.000 1.044 81 Q CA -0.012 55.877 55.803 0.145 0.000 0.920 81 Q CB 1.151 30.135 28.738 0.410 0.000 1.214 81 Q HN 0.610 nan 8.270 nan 0.000 0.392 82 R N 1.686 122.173 120.500 -0.020 0.000 2.210 82 R HA -0.027 4.314 4.340 0.001 0.000 0.203 82 R C 0.643 177.004 176.300 0.102 0.000 1.010 82 R CA 0.916 57.016 56.100 0.000 0.000 1.008 82 R CB 0.377 30.617 30.300 -0.099 0.000 0.923 82 R HN 0.692 nan 8.270 nan 0.000 0.469 83 E N -0.791 119.542 120.200 0.222 0.000 2.539 83 E HA 0.091 4.441 4.350 0.001 0.000 0.215 83 E C -0.502 176.239 176.600 0.235 0.000 0.965 83 E CA 0.064 56.578 56.400 0.189 0.000 1.019 83 E CB 1.044 30.799 29.700 0.092 0.000 1.059 83 E HN -0.027 nan 8.360 nan 0.000 0.496 84 T N 1.807 116.530 114.554 0.282 0.000 2.765 84 T HA -0.021 4.330 4.350 0.001 0.000 0.275 84 T C 0.023 174.849 174.700 0.211 0.000 1.007 84 T CA 0.763 62.997 62.100 0.224 0.000 1.175 84 T CB 0.248 69.280 68.868 0.272 0.000 0.993 84 T HN -0.058 nan 8.240 nan 0.000 0.510 85 T N 5.735 120.412 114.554 0.205 0.000 2.756 85 T HA 0.519 4.870 4.350 0.001 0.000 0.290 85 T C -0.236 174.614 174.700 0.251 0.000 0.985 85 T CA -0.713 61.567 62.100 0.300 0.000 0.955 85 T CB 0.447 69.480 68.868 0.275 0.000 0.930 85 T HN 0.164 nan 8.240 nan 0.000 0.451 86 L N 3.540 124.940 121.223 0.294 0.000 2.303 86 L HA 0.867 5.207 4.340 0.001 0.000 0.266 86 L C -0.281 176.835 176.870 0.410 0.000 1.011 86 L CA -1.038 53.971 54.840 0.281 0.000 0.818 86 L CB 1.717 43.850 42.059 0.123 0.000 1.326 86 L HN 0.494 nan 8.230 nan 0.000 0.435 87 V N -1.568 118.572 119.914 0.377 0.000 2.851 87 V HA 0.860 4.981 4.120 0.001 0.000 0.307 87 V C -1.649 174.646 176.094 0.334 0.000 1.129 87 V CA -0.718 61.699 62.300 0.194 0.000 0.932 87 V CB 1.252 33.131 31.823 0.093 0.000 1.024 87 V HN 0.960 nan 8.190 nan 0.000 0.426 88 W N 2.514 123.797 121.300 -0.029 0.000 3.025 88 W HA 0.878 5.539 4.660 0.001 0.000 0.343 88 W C -1.246 175.207 176.519 -0.110 0.000 1.246 88 W CA -0.395 56.922 57.345 -0.048 0.000 1.178 88 W CB 0.780 30.226 29.460 -0.023 0.000 1.463 88 W HN 0.818 nan 8.180 nan 0.000 0.578 89 D N 0.170 120.667 120.400 0.163 0.000 2.440 89 D HA 0.299 4.940 4.640 0.001 0.000 0.258 89 D C 0.993 177.333 176.300 0.067 0.000 1.092 89 D CA -0.593 53.425 54.000 0.029 0.000 1.016 89 D CB 0.993 41.826 40.800 0.055 0.000 1.141 89 D HN 0.358 nan 8.370 nan 0.000 0.552 90 K N 0.061 120.481 120.400 0.034 0.000 2.103 90 K HA -0.115 4.206 4.320 0.001 0.000 0.207 90 K C 0.864 177.588 176.600 0.206 0.000 1.048 90 K CA 1.329 57.675 56.287 0.098 0.000 0.930 90 K CB -0.307 32.225 32.500 0.053 0.000 0.716 90 K HN 0.576 nan 8.250 nan 0.000 0.444 91 D N -0.237 120.255 120.400 0.153 0.000 2.355 91 D HA 0.008 4.648 4.640 0.001 0.000 0.218 91 D C 0.908 177.322 176.300 0.190 0.000 1.004 91 D CA 0.824 54.909 54.000 0.143 0.000 0.880 91 D CB 0.208 41.059 40.800 0.084 0.000 0.911 91 D HN 0.361 nan 8.370 nan 0.000 0.528 92 G N 1.577 110.537 108.800 0.268 0.000 2.207 92 G HA2 -0.221 3.739 3.960 0.001 0.000 0.216 92 G HA3 -0.221 3.739 3.960 0.001 0.000 0.216 92 G C -0.026 174.976 174.900 0.170 0.000 1.053 92 G CA -0.329 44.961 45.100 0.317 0.000 0.764 92 G HN 0.291 nan 8.290 nan 0.000 0.495 93 K N 0.496 121.018 120.400 0.203 0.000 2.323 93 K HA 0.557 4.878 4.320 0.001 0.000 0.259 93 K C -2.753 173.965 176.600 0.196 0.000 0.947 93 K CA -2.195 54.182 56.287 0.150 0.000 0.819 93 K CB 2.288 34.851 32.500 0.104 0.000 1.109 93 K HN -0.013 nan 8.250 nan 0.000 0.429 94 P HA 0.023 nan 4.420 nan 0.000 0.267 94 P C -0.026 177.368 177.300 0.156 0.000 1.200 94 P CA 0.097 63.298 63.100 0.168 0.000 0.772 94 P CB 0.553 32.283 31.700 0.050 0.000 0.855 95 L N 1.496 122.830 121.223 0.185 0.000 2.640 95 L HA 0.308 4.648 4.340 0.001 0.000 0.230 95 L C -0.052 176.988 176.870 0.284 0.000 1.123 95 L CA 0.262 55.206 54.840 0.174 0.000 0.900 95 L CB -0.167 41.967 42.059 0.124 0.000 1.146 95 L HN 0.424 nan 8.230 nan 0.000 0.484 96 Y N -1.486 118.855 120.300 0.069 0.000 2.774 96 Y HA 0.230 4.780 4.550 0.001 0.000 0.346 96 Y C -0.569 175.354 175.900 0.038 0.000 1.222 96 Y CA -1.688 56.454 58.100 0.069 0.000 1.088 96 Y CB 0.856 39.381 38.460 0.108 0.000 1.354 96 Y HN -0.142 nan 8.280 nan 0.000 0.455 97 N N 1.568 120.172 118.700 -0.160 0.000 2.345 97 N HA 0.270 5.011 4.740 0.001 0.000 0.243 97 N C -0.484 175.108 175.510 0.137 0.000 1.246 97 N CA 0.840 53.856 53.050 -0.057 0.000 0.863 97 N CB 0.543 38.921 38.487 -0.181 0.000 1.096 97 N HN 0.734 nan 8.380 nan 0.000 0.446 98 A N 2.691 125.548 122.820 0.062 0.000 2.524 98 A HA 0.148 4.468 4.320 0.001 0.000 0.250 98 A C 0.592 178.202 177.584 0.045 0.000 1.078 98 A CA -0.120 51.958 52.037 0.069 0.000 0.761 98 A CB -0.353 18.679 19.000 0.054 0.000 1.012 98 A HN 0.634 nan 8.150 nan 0.000 0.500 99 I N 4.252 124.843 120.570 0.034 0.000 2.322 99 I HA 0.087 4.257 4.170 0.001 0.000 0.292 99 I C 0.042 176.106 176.117 -0.088 0.000 1.060 99 I CA -0.362 60.892 61.300 -0.077 0.000 1.309 99 I CB 0.654 38.577 38.000 -0.129 0.000 1.415 99 I HN 0.320 nan 8.210 nan 0.000 0.492 100 V N 7.079 126.876 119.914 -0.194 0.000 2.843 100 V HA -0.090 4.030 4.120 0.001 0.000 0.305 100 V C 1.402 177.411 176.094 -0.141 0.000 1.065 100 V CA -0.264 61.887 62.300 -0.248 0.000 1.116 100 V CB 0.764 32.245 31.823 -0.569 0.000 0.968 100 V HN 0.947 nan 8.190 nan 0.000 0.487 101 W N 2.596 123.898 121.300 0.004 0.000 2.296 101 W HA -0.279 4.381 4.660 0.000 0.000 0.296 101 W C 1.284 177.780 176.519 -0.038 0.000 1.220 101 W CA 1.539 58.922 57.345 0.062 0.000 1.223 101 W CB -0.765 28.821 29.460 0.210 0.000 1.139 101 W HN 0.694 nan 8.180 nan 0.000 0.534 102 Q N 0.457 119.772 119.800 -0.808 0.000 2.369 102 Q HA -0.040 4.301 4.340 0.001 0.000 0.206 102 Q C 1.349 177.115 176.000 -0.391 0.000 0.963 102 Q CA 0.748 56.090 55.803 -0.768 0.000 0.894 102 Q CB -0.135 28.077 28.738 -0.877 0.000 0.965 102 Q HN 0.184 nan 8.270 nan 0.000 0.475 103 C N 1.319 120.441 119.300 -0.297 0.000 2.527 103 C HA 0.230 4.690 4.460 0.001 0.000 0.396 103 C C 1.018 175.870 174.990 -0.230 0.000 1.289 103 C CA -0.511 58.364 59.018 -0.238 0.000 2.047 103 C CB 0.162 27.725 27.740 -0.295 0.000 2.568 103 C HN 0.358 nan 8.230 nan 0.000 0.573 104 R N 3.538 123.927 120.500 -0.185 0.000 2.472 104 R HA 0.078 4.419 4.340 0.001 0.000 0.279 104 R C 2.078 178.283 176.300 -0.158 0.000 0.953 104 R CA -0.053 55.982 56.100 -0.110 0.000 1.088 104 R CB -0.613 29.702 30.300 0.026 0.000 1.197 104 R HN 0.903 nan 8.270 nan 0.000 0.536 105 R N 0.709 120.893 120.500 -0.528 0.000 2.226 105 R HA -0.123 4.218 4.340 0.001 0.000 0.246 105 R C 0.714 176.852 176.300 -0.269 0.000 1.161 105 R CA 2.118 57.800 56.100 -0.697 0.000 0.997 105 R CB -0.733 28.432 30.300 -1.892 0.000 0.870 105 R HN 0.041 nan 8.270 nan 0.000 0.465 106 T N -3.276 111.161 114.554 -0.194 0.000 3.144 106 T HA 0.434 4.785 4.350 0.001 0.000 0.249 106 T C 1.803 176.561 174.700 0.097 0.000 1.089 106 T CA 0.132 62.230 62.100 -0.003 0.000 0.989 106 T CB 0.749 69.617 68.868 -0.001 0.000 0.992 106 T HN 0.332 nan 8.240 nan 0.000 0.540 107 A N 2.723 125.608 122.820 0.108 0.000 1.908 107 A HA -0.135 4.185 4.320 0.001 0.000 0.218 107 A C 2.249 179.965 177.584 0.219 0.000 1.181 107 A CA 1.602 53.740 52.037 0.169 0.000 0.627 107 A CB -0.495 18.631 19.000 0.210 0.000 0.818 107 A HN 0.694 nan 8.150 nan 0.000 0.445 108 E N -0.833 119.501 120.200 0.223 0.000 2.072 108 E HA -0.120 4.231 4.350 0.001 0.000 0.190 108 E C 2.097 178.805 176.600 0.181 0.000 0.982 108 E CA 0.955 57.486 56.400 0.217 0.000 0.803 108 E CB -0.367 29.446 29.700 0.188 0.000 0.755 108 E HN 0.586 nan 8.360 nan 0.000 0.453 109 M N 1.493 121.196 119.600 0.171 0.000 2.073 109 M HA -0.183 4.298 4.480 0.001 0.000 0.258 109 M C 2.259 178.659 176.300 0.166 0.000 1.070 109 M CA 1.659 57.053 55.300 0.157 0.000 1.103 109 M CB -0.160 32.542 32.600 0.171 0.000 1.321 109 M HN 0.056 nan 8.290 nan 0.000 0.405 110 V N 0.350 120.378 119.914 0.190 0.000 2.515 110 V HA -0.200 3.921 4.120 0.001 0.000 0.250 110 V C 2.212 178.415 176.094 0.181 0.000 1.058 110 V CA 1.944 64.369 62.300 0.208 0.000 1.064 110 V CB -1.026 30.934 31.823 0.229 0.000 0.675 110 V HN 0.463 nan 8.190 nan 0.000 0.461 111 E N 1.060 121.369 120.200 0.182 0.000 2.160 111 E HA -0.268 4.083 4.350 0.001 0.000 0.195 111 E C 2.066 178.759 176.600 0.155 0.000 0.991 111 E CA 1.894 58.402 56.400 0.180 0.000 0.810 111 E CB -0.145 29.704 29.700 0.248 0.000 0.742 111 E HN 0.774 nan 8.360 nan 0.000 0.466 112 E N -0.124 120.162 120.200 0.143 0.000 2.033 112 E HA -0.084 4.266 4.350 0.001 0.000 0.189 112 E C 2.108 178.783 176.600 0.125 0.000 0.979 112 E CA 1.201 57.671 56.400 0.118 0.000 0.802 112 E CB -0.521 29.240 29.700 0.102 0.000 0.763 112 E HN 0.353 nan 8.360 nan 0.000 0.449 113 I N 1.078 121.729 120.570 0.136 0.000 2.087 113 I HA -0.378 3.792 4.170 0.001 0.000 0.240 113 I C 2.671 178.910 176.117 0.205 0.000 1.054 113 I CA 1.873 63.278 61.300 0.176 0.000 1.311 113 I CB -0.349 37.690 38.000 0.064 0.000 1.024 113 I HN 0.221 nan 8.210 nan 0.000 0.402 114 K N 0.488 120.985 120.400 0.162 0.000 2.049 114 K HA -0.320 4.000 4.320 0.001 0.000 0.219 114 K C 2.266 178.920 176.600 0.090 0.000 1.056 114 K CA 2.045 58.409 56.287 0.128 0.000 0.946 114 K CB -0.182 32.387 32.500 0.114 0.000 0.723 114 K HN 0.217 nan 8.250 nan 0.000 0.453 115 R N 0.286 120.833 120.500 0.078 0.000 2.122 115 R HA -0.211 4.129 4.340 0.001 0.000 0.236 115 R C 2.335 178.621 176.300 -0.023 0.000 1.129 115 R CA 2.441 58.562 56.100 0.035 0.000 0.925 115 R CB -0.349 29.975 30.300 0.040 0.000 0.850 115 R HN 0.351 nan 8.270 nan 0.000 0.431 116 E N -1.542 118.623 120.200 -0.058 0.000 2.285 116 E HA -0.113 4.237 4.350 0.001 0.000 0.194 116 E C 0.735 177.062 176.600 -0.456 0.000 0.997 116 E CA 0.932 57.160 56.400 -0.286 0.000 0.845 116 E CB 0.276 29.704 29.700 -0.454 0.000 0.782 116 E HN 0.439 nan 8.360 nan 0.000 0.491 117 Y N -1.973 118.315 120.300 -0.020 0.000 2.563 117 Y HA 0.303 4.854 4.550 0.003 0.000 0.250 117 Y C 1.962 177.853 175.900 -0.014 0.000 1.126 117 Y CA -0.151 57.933 58.100 -0.027 0.000 1.231 117 Y CB 0.422 38.853 38.460 -0.048 0.000 1.288 117 Y HN 0.031 nan 8.280 nan 0.000 0.537 118 G N 0.631 109.497 108.800 0.110 0.000 2.556 118 G HA2 -0.410 3.550 3.960 0.001 0.000 0.220 118 G HA3 -0.410 3.550 3.960 0.001 0.000 0.220 118 G C 1.901 176.818 174.900 0.027 0.000 1.156 118 G CA 2.306 47.445 45.100 0.065 0.000 0.766 118 G HN 0.428 nan 8.290 nan 0.000 0.583 119 T N -1.822 112.735 114.554 0.006 0.000 2.894 119 T HA -0.011 4.339 4.350 0.001 0.000 0.258 119 T C 2.278 176.965 174.700 -0.021 0.000 1.043 119 T CA 1.536 63.621 62.100 -0.026 0.000 1.141 119 T CB -0.232 68.609 68.868 -0.045 0.000 0.873 119 T HN 0.147 nan 8.240 nan 0.000 0.449 120 M N 0.688 120.297 119.600 0.015 0.000 2.082 120 M HA -0.080 4.400 4.480 0.001 0.000 0.258 120 M C 2.158 178.475 176.300 0.028 0.000 1.069 120 M CA 1.829 57.148 55.300 0.031 0.000 1.102 120 M CB -0.663 31.996 32.600 0.098 0.000 1.336 120 M HN 0.420 nan 8.290 nan 0.000 0.404 121 I N -0.069 120.534 120.570 0.056 0.000 2.315 121 I HA -0.286 3.885 4.170 0.001 0.000 0.248 121 I C 2.548 178.655 176.117 -0.017 0.000 1.117 121 I CA 0.939 62.267 61.300 0.046 0.000 1.404 121 I CB -0.422 37.632 38.000 0.090 0.000 1.071 121 I HN 0.260 nan 8.210 nan 0.000 0.419 122 K N 0.915 121.290 120.400 -0.042 0.000 2.155 122 K HA -0.196 4.124 4.320 0.001 0.000 0.203 122 K C 1.944 178.487 176.600 -0.096 0.000 1.052 122 K CA 1.582 57.820 56.287 -0.082 0.000 0.948 122 K CB 0.001 32.448 32.500 -0.089 0.000 0.728 122 K HN 0.391 nan 8.250 nan 0.000 0.448 123 E N 0.816 120.956 120.200 -0.098 0.000 2.158 123 E HA -0.106 4.245 4.350 0.001 0.000 0.191 123 E C 1.405 177.951 176.600 -0.090 0.000 0.982 123 E CA 1.381 57.699 56.400 -0.137 0.000 0.823 123 E CB -0.097 29.501 29.700 -0.170 0.000 0.766 123 E HN 0.156 nan 8.360 nan 0.000 0.468 124 K N -0.523 119.844 120.400 -0.055 0.000 2.167 124 K HA 0.052 4.373 4.320 0.001 0.000 0.203 124 K C 1.517 178.093 176.600 -0.040 0.000 1.052 124 K CA 1.489 57.749 56.287 -0.045 0.000 0.956 124 K CB 0.005 32.492 32.500 -0.022 0.000 0.735 124 K HN 0.084 nan 8.250 nan 0.000 0.451 125 T N -1.397 113.135 114.554 -0.036 0.000 2.959 125 T HA 0.155 4.506 4.350 0.001 0.000 0.254 125 T C 1.028 175.703 174.700 -0.043 0.000 1.003 125 T CA 0.650 62.729 62.100 -0.035 0.000 0.950 125 T CB 0.654 69.485 68.868 -0.061 0.000 1.090 125 T HN 0.478 nan 8.240 nan 0.000 0.503 126 G N 1.205 109.982 108.800 -0.037 0.000 2.234 126 G HA2 -0.197 3.763 3.960 0.001 0.000 0.260 126 G HA3 -0.197 3.763 3.960 0.001 0.000 0.260 126 G C -0.134 174.719 174.900 -0.078 0.000 0.987 126 G CA 0.165 45.259 45.100 -0.010 0.000 0.625 126 G HN 0.417 nan 8.290 nan 0.000 0.532 127 L N 0.712 121.820 121.223 -0.191 0.000 2.360 127 L HA 0.681 5.022 4.340 0.001 0.000 0.271 127 L C 0.856 177.556 176.870 -0.283 0.000 1.057 127 L CA -1.233 53.395 54.840 -0.353 0.000 0.803 127 L CB 1.711 43.301 42.059 -0.781 0.000 1.207 127 L HN -0.017 nan 8.230 nan 0.000 0.445 128 V N 3.719 123.435 119.914 -0.330 0.000 2.455 128 V HA 0.205 4.326 4.120 0.001 0.000 0.273 128 V C -2.013 174.003 176.094 -0.130 0.000 1.045 128 V CA -1.478 60.589 62.300 -0.389 0.000 0.976 128 V CB 0.780 31.986 31.823 -1.029 0.000 0.993 128 V HN 0.653 nan 8.190 nan 0.000 0.475 129 P HA 0.084 nan 4.420 nan 0.000 0.260 129 P C -0.459 176.978 177.300 0.228 0.000 1.185 129 P CA 0.653 63.844 63.100 0.152 0.000 0.763 129 P CB 0.324 32.109 31.700 0.142 0.000 0.776 130 D N 1.904 122.538 120.400 0.390 0.000 2.648 130 D HA 0.244 4.884 4.640 0.001 0.000 0.244 130 D C 0.338 176.794 176.300 0.259 0.000 1.244 130 D CA -0.609 53.593 54.000 0.337 0.000 0.772 130 D CB 1.762 42.825 40.800 0.439 0.000 1.379 130 D HN 0.141 nan 8.370 nan 0.000 0.428 131 A N 1.591 124.517 122.820 0.177 0.000 2.121 131 A HA -0.186 4.135 4.320 0.001 0.000 0.218 131 A C 1.645 179.247 177.584 0.029 0.000 1.154 131 A CA 1.113 53.202 52.037 0.086 0.000 0.679 131 A CB -0.645 18.381 19.000 0.043 0.000 0.795 131 A HN 0.627 nan 8.150 nan 0.000 0.458 132 Y N 0.342 120.521 120.300 -0.201 0.000 2.165 132 Y HA -0.074 4.476 4.550 0.000 0.000 0.286 132 Y C 0.285 175.954 175.900 -0.386 0.000 1.155 132 Y CA -0.049 57.824 58.100 -0.378 0.000 1.164 132 Y CB -0.696 37.471 38.460 -0.489 0.000 0.978 132 Y HN 0.219 nan 8.280 nan 0.000 0.513 133 F N -0.231 119.770 119.950 0.085 0.000 2.403 133 F HA 0.217 4.744 4.527 -0.000 0.000 0.320 133 F C 1.979 177.747 175.800 -0.054 0.000 1.176 133 F CA 0.267 58.224 58.000 -0.071 0.000 1.206 133 F CB 0.134 39.081 39.000 -0.088 0.000 1.235 133 F HN -0.305 nan 8.300 nan 0.000 0.565 134 S N 0.704 116.497 115.700 0.154 0.000 2.368 134 S HA -0.210 4.261 4.470 0.001 0.000 0.225 134 S C 2.255 176.788 174.600 -0.112 0.000 1.030 134 S CA 1.182 59.428 58.200 0.076 0.000 0.999 134 S CB -0.564 62.763 63.200 0.213 0.000 0.844 134 S HN 0.720 nan 8.310 nan 0.000 0.459 135 A N 1.924 124.589 122.820 -0.259 0.000 1.884 135 A HA -0.199 4.122 4.320 0.001 0.000 0.219 135 A C 2.392 179.641 177.584 -0.558 0.000 1.197 135 A CA 2.420 54.070 52.037 -0.645 0.000 0.637 135 A CB -1.158 17.080 19.000 -1.270 0.000 0.827 135 A HN 0.658 nan 8.150 nan 0.000 0.450 136 S N -0.720 114.772 115.700 -0.346 0.000 2.481 136 S HA -0.052 4.418 4.470 0.001 0.000 0.231 136 S C 1.702 176.315 174.600 0.021 0.000 0.996 136 S CA 1.245 59.440 58.200 -0.008 0.000 0.942 136 S CB -0.216 63.068 63.200 0.141 0.000 0.768 136 S HN 0.623 nan 8.310 nan 0.000 0.520 137 K N 0.684 121.054 120.400 -0.050 0.000 2.137 137 K HA 0.264 4.585 4.320 0.001 0.000 0.202 137 K C 2.073 178.680 176.600 0.011 0.000 1.052 137 K CA 0.648 56.919 56.287 -0.026 0.000 0.961 137 K CB -0.336 32.136 32.500 -0.046 0.000 0.741 137 K HN 0.253 nan 8.250 nan 0.000 0.452 138 L N 1.871 123.036 121.223 -0.096 0.000 1.970 138 L HA -0.278 4.063 4.340 0.001 0.000 0.212 138 L C 2.606 179.426 176.870 -0.082 0.000 1.071 138 L CA 1.702 56.441 54.840 -0.169 0.000 0.751 138 L CB -0.364 41.427 42.059 -0.447 0.000 0.889 138 L HN 0.200 nan 8.230 nan 0.000 0.432 139 K N -0.725 119.646 120.400 -0.048 0.000 2.032 139 K HA -0.325 3.996 4.320 0.001 0.000 0.218 139 K C 1.999 178.629 176.600 0.051 0.000 1.054 139 K CA 2.719 59.025 56.287 0.031 0.000 0.941 139 K CB -0.637 31.956 32.500 0.156 0.000 0.720 139 K HN 0.420 nan 8.250 nan 0.000 0.449 140 W N 0.699 121.949 121.300 -0.083 0.000 2.358 140 W HA -0.212 4.448 4.660 -0.000 0.000 0.303 140 W C 1.664 178.092 176.519 -0.152 0.000 1.208 140 W CA 0.770 58.052 57.345 -0.105 0.000 1.274 140 W CB -0.188 29.191 29.460 -0.136 0.000 1.138 140 W HN 0.148 nan 8.180 nan 0.000 0.515 141 L N 0.446 121.821 121.223 0.253 0.000 2.079 141 L HA -0.181 4.160 4.340 0.001 0.000 0.210 141 L C 2.269 179.048 176.870 -0.151 0.000 1.081 141 L CA 1.756 56.629 54.840 0.054 0.000 0.752 141 L CB -1.383 40.704 42.059 0.048 0.000 0.896 141 L HN 0.108 nan 8.230 nan 0.000 0.433 142 L N -1.195 119.952 121.223 -0.126 0.000 2.240 142 L HA -0.109 4.232 4.340 0.001 0.000 0.211 142 L C 1.400 178.159 176.870 -0.186 0.000 1.106 142 L CA 0.588 55.343 54.840 -0.142 0.000 0.793 142 L CB -0.248 41.743 42.059 -0.114 0.000 0.927 142 L HN 0.194 nan 8.230 nan 0.000 0.446 143 D N -1.085 119.164 120.400 -0.252 0.000 2.360 143 D HA 0.001 4.642 4.640 0.001 0.000 0.210 143 D C 1.039 177.091 176.300 -0.413 0.000 1.047 143 D CA 0.470 54.301 54.000 -0.280 0.000 0.854 143 D CB 0.280 40.933 40.800 -0.246 0.000 0.936 143 D HN 0.311 nan 8.370 nan 0.000 0.514 144 N N -1.183 117.174 118.700 -0.571 0.000 2.325 144 N HA 0.051 4.792 4.740 0.001 0.000 0.220 144 N C -0.284 174.946 175.510 -0.466 0.000 1.176 144 N CA -0.000 52.625 53.050 -0.708 0.000 0.861 144 N CB 1.540 39.080 38.487 -1.579 0.000 1.230 144 N HN -0.181 nan 8.380 nan 0.000 0.479 145 V N 4.193 123.865 119.914 -0.402 0.000 2.421 145 V HA 0.176 4.297 4.120 0.001 0.000 0.271 145 V C -2.081 173.937 176.094 -0.127 0.000 1.031 145 V CA -1.297 60.862 62.300 -0.235 0.000 1.032 145 V CB 0.053 31.750 31.823 -0.210 0.000 1.009 145 V HN 0.099 nan 8.190 nan 0.000 0.477 146 P HA 0.135 nan 4.420 nan 0.000 0.265 146 P C 0.874 178.155 177.300 -0.032 0.000 1.222 146 P CA 0.945 64.019 63.100 -0.044 0.000 0.767 146 P CB 0.679 32.373 31.700 -0.010 0.000 0.801 147 G N 2.893 111.665 108.800 -0.046 0.000 2.198 147 G HA2 -0.289 3.671 3.960 0.001 0.000 0.260 147 G HA3 -0.289 3.671 3.960 0.001 0.000 0.260 147 G C 0.319 175.195 174.900 -0.041 0.000 1.025 147 G CA 0.307 45.384 45.100 -0.038 0.000 0.769 147 G HN 0.583 nan 8.290 nan 0.000 0.507 148 L N -0.707 120.480 121.223 -0.059 0.000 2.408 148 L HA 0.444 4.785 4.340 0.001 0.000 0.215 148 L C 2.527 179.354 176.870 -0.073 0.000 1.081 148 L CA 1.315 56.119 54.840 -0.060 0.000 0.840 148 L CB -0.157 41.866 42.059 -0.060 0.000 1.002 148 L HN 0.270 nan 8.230 nan 0.000 0.468 149 R N -0.305 120.145 120.500 -0.083 0.000 2.120 149 R HA -0.177 4.164 4.340 0.001 0.000 0.234 149 R C 1.709 177.968 176.300 -0.068 0.000 1.123 149 R CA 1.742 57.793 56.100 -0.082 0.000 0.975 149 R CB 0.055 30.303 30.300 -0.085 0.000 0.866 149 R HN 0.373 nan 8.270 nan 0.000 0.446 150 E N 0.307 120.472 120.200 -0.058 0.000 2.051 150 E HA -0.077 4.274 4.350 0.001 0.000 0.189 150 E C 1.732 178.304 176.600 -0.046 0.000 0.979 150 E CA 1.054 57.425 56.400 -0.047 0.000 0.803 150 E CB -0.064 29.612 29.700 -0.040 0.000 0.761 150 E HN 0.199 nan 8.360 nan 0.000 0.451 151 K N 0.403 120.776 120.400 -0.045 0.000 2.044 151 K HA -0.172 4.148 4.320 0.001 0.000 0.210 151 K C 2.057 178.621 176.600 -0.060 0.000 1.049 151 K CA 1.406 57.665 56.287 -0.046 0.000 0.927 151 K CB -0.191 32.285 32.500 -0.040 0.000 0.713 151 K HN 0.151 nan 8.250 nan 0.000 0.443 152 A N 1.347 124.124 122.820 -0.072 0.000 1.877 152 A HA -0.211 4.109 4.320 0.001 0.000 0.216 152 A C 1.776 179.315 177.584 -0.075 0.000 1.186 152 A CA 1.793 53.778 52.037 -0.086 0.000 0.620 152 A CB -0.524 18.418 19.000 -0.097 0.000 0.822 152 A HN 0.452 nan 8.150 nan 0.000 0.443 153 E N -0.149 120.012 120.200 -0.065 0.000 2.209 153 E HA -0.198 4.153 4.350 0.001 0.000 0.196 153 E C 1.609 178.182 176.600 -0.045 0.000 0.993 153 E CA 1.263 57.631 56.400 -0.054 0.000 0.819 153 E CB -0.172 29.499 29.700 -0.049 0.000 0.745 153 E HN 0.592 nan 8.360 nan 0.000 0.477 154 K N -0.505 119.868 120.400 -0.044 0.000 2.459 154 K HA 0.036 4.356 4.320 0.001 0.000 0.193 154 K C 0.978 177.554 176.600 -0.040 0.000 1.030 154 K CA 0.466 56.731 56.287 -0.037 0.000 1.026 154 K CB 0.504 32.985 32.500 -0.031 0.000 0.809 154 K HN 0.235 nan 8.250 nan 0.000 0.504 155 G N 1.593 110.361 108.800 -0.054 0.000 2.132 155 G HA2 -0.262 3.698 3.960 0.001 0.000 0.234 155 G HA3 -0.262 3.698 3.960 0.001 0.000 0.234 155 G C 0.214 175.070 174.900 -0.073 0.000 0.989 155 G CA 0.137 45.203 45.100 -0.058 0.000 0.676 155 G HN 0.432 nan 8.290 nan 0.000 0.522 156 E N -0.843 119.310 120.200 -0.079 0.000 2.501 156 E HA 0.334 4.684 4.350 0.001 0.000 0.201 156 E C 0.387 176.908 176.600 -0.132 0.000 1.016 156 E CA 0.031 56.379 56.400 -0.088 0.000 0.920 156 E CB 1.139 30.806 29.700 -0.056 0.000 1.023 156 E HN 0.341 nan 8.360 nan 0.000 0.474 157 V N 1.940 121.755 119.914 -0.164 0.000 2.398 157 V HA 0.309 4.429 4.120 0.001 0.000 0.286 157 V C -0.127 175.743 176.094 -0.372 0.000 1.026 157 V CA -0.450 61.711 62.300 -0.231 0.000 0.868 157 V CB 1.438 33.166 31.823 -0.159 0.000 0.982 157 V HN 0.190 nan 8.190 nan 0.000 0.443 158 M N 5.726 124.919 119.600 -0.677 0.000 2.084 158 M HA 0.415 4.896 4.480 0.001 0.000 0.351 158 M C -0.693 174.982 176.300 -1.042 0.000 1.240 158 M CA -0.286 54.353 55.300 -1.102 0.000 1.083 158 M CB 0.967 32.407 32.600 -1.934 0.000 1.593 158 M HN 0.681 nan 8.290 nan 0.000 0.463 159 F N 2.949 122.549 119.950 -0.583 0.000 2.394 159 F HA 0.779 5.307 4.527 0.001 0.000 0.340 159 F C 0.019 175.703 175.800 -0.194 0.000 1.105 159 F CA -0.396 57.385 58.000 -0.366 0.000 1.124 159 F CB 0.985 39.861 39.000 -0.207 0.000 1.145 159 F HN 0.513 nan 8.300 nan 0.000 0.505 160 G N 2.751 111.164 108.800 -0.645 0.000 2.692 160 G HA2 0.483 4.444 3.960 0.001 0.000 0.291 160 G HA3 0.483 4.444 3.960 0.001 0.000 0.291 160 G C -1.018 173.579 174.900 -0.504 0.000 1.423 160 G CA -0.411 44.249 45.100 -0.734 0.000 0.843 160 G HN 0.881 nan 8.290 nan 0.000 0.486 161 T N -1.644 112.666 114.554 -0.408 0.000 2.726 161 T HA 0.270 4.621 4.350 0.001 0.000 0.294 161 T C 1.629 176.369 174.700 0.066 0.000 1.013 161 T CA 0.068 62.142 62.100 -0.044 0.000 0.996 161 T CB 1.164 70.035 68.868 0.006 0.000 1.016 161 T HN 0.458 nan 8.240 nan 0.000 0.529 162 V N 2.086 122.065 119.914 0.108 0.000 2.392 162 V HA -0.210 3.910 4.120 0.001 0.000 0.249 162 V C 2.768 178.940 176.094 0.129 0.000 1.059 162 V CA 2.362 64.748 62.300 0.144 0.000 1.051 162 V CB -1.079 30.842 31.823 0.164 0.000 0.658 162 V HN 1.066 nan 8.190 nan 0.000 0.455 163 D N -0.519 119.919 120.400 0.064 0.000 2.104 163 D HA -0.209 4.431 4.640 0.001 0.000 0.194 163 D C 1.927 178.228 176.300 0.002 0.000 0.994 163 D CA 2.054 56.064 54.000 0.017 0.000 0.830 163 D CB -0.814 39.959 40.800 -0.045 0.000 0.959 163 D HN 0.420 nan 8.370 nan 0.000 0.452 164 T N 0.466 115.035 114.554 0.025 0.000 2.652 164 T HA -0.162 4.189 4.350 0.001 0.000 0.267 164 T C 1.560 176.356 174.700 0.159 0.000 1.039 164 T CA 1.390 63.553 62.100 0.105 0.000 1.153 164 T CB -0.770 68.189 68.868 0.150 0.000 0.863 164 T HN 0.156 nan 8.240 nan 0.000 0.428 165 F N 1.984 121.847 119.950 -0.144 0.000 2.043 165 F HA -0.151 4.377 4.527 0.001 0.000 0.297 165 F C 2.047 177.614 175.800 -0.389 0.000 1.118 165 F CA 1.314 58.929 58.000 -0.643 0.000 1.202 165 F CB -0.748 37.884 39.000 -0.613 0.000 0.965 165 F HN 0.062 nan 8.300 nan 0.000 0.482 166 L N -0.214 120.868 121.223 -0.234 0.000 2.079 166 L HA -0.260 4.080 4.340 0.001 0.000 0.210 166 L C 2.471 179.231 176.870 -0.184 0.000 1.081 166 L CA 1.531 56.252 54.840 -0.198 0.000 0.752 166 L CB -0.745 41.371 42.059 0.096 0.000 0.896 166 L HN 0.249 nan 8.230 nan 0.000 0.433 167 I N -2.059 118.442 120.570 -0.115 0.000 2.500 167 I HA -0.260 3.911 4.170 0.001 0.000 0.252 167 I C 2.473 178.535 176.117 -0.090 0.000 1.142 167 I CA 0.789 62.043 61.300 -0.077 0.000 1.451 167 I CB -0.261 37.689 38.000 -0.084 0.000 1.093 167 I HN 0.126 nan 8.210 nan 0.000 0.430 168 Y N 2.267 122.442 120.300 -0.208 0.000 2.034 168 Y HA -0.274 4.277 4.550 0.001 0.000 0.269 168 Y C 2.742 178.426 175.900 -0.360 0.000 1.125 168 Y CA 1.617 59.606 58.100 -0.185 0.000 1.097 168 Y CB -0.268 38.130 38.460 -0.103 0.000 0.978 168 Y HN -0.075 nan 8.280 nan 0.000 0.480 169 R N 0.242 120.362 120.500 -0.633 0.000 2.228 169 R HA -0.231 4.110 4.340 0.001 0.000 0.259 169 R C 2.143 178.110 176.300 -0.554 0.000 1.183 169 R CA 1.857 57.424 56.100 -0.889 0.000 1.002 169 R CB -1.058 28.145 30.300 -1.827 0.000 0.879 169 R HN 0.474 nan 8.270 nan 0.000 0.467 170 L N -0.542 120.484 121.223 -0.328 0.000 2.416 170 L HA -0.003 4.337 4.340 0.001 0.000 0.216 170 L C 1.648 178.469 176.870 -0.081 0.000 1.098 170 L CA 1.303 56.098 54.840 -0.075 0.000 0.840 170 L CB 0.225 42.318 42.059 0.057 0.000 0.981 170 L HN 0.292 nan 8.230 nan 0.000 0.462 171 T N -6.956 107.505 114.554 -0.155 0.000 3.259 171 T HA 0.186 4.537 4.350 0.001 0.000 0.287 171 T C 1.323 175.926 174.700 -0.161 0.000 0.874 171 T CA 0.441 62.489 62.100 -0.088 0.000 0.878 171 T CB 0.643 69.501 68.868 -0.018 0.000 1.223 171 T HN 0.185 nan 8.240 nan 0.000 0.630 172 G N 2.042 110.619 108.800 -0.372 0.000 2.205 172 G HA2 -0.254 3.707 3.960 0.001 0.000 0.269 172 G HA3 -0.254 3.707 3.960 0.001 0.000 0.269 172 G C -0.132 174.643 174.900 -0.207 0.000 0.977 172 G CA 0.559 45.336 45.100 -0.539 0.000 0.652 172 G HN 0.685 nan 8.290 nan 0.000 0.539 173 E N 0.051 120.231 120.200 -0.033 0.000 2.366 173 E HA 0.341 4.692 4.350 0.001 0.000 0.266 173 E C -0.090 176.720 176.600 0.350 0.000 1.051 173 E CA -0.605 55.880 56.400 0.140 0.000 0.884 173 E CB 0.753 30.521 29.700 0.114 0.000 1.006 173 E HN 0.341 nan 8.360 nan 0.000 0.417 174 H N 1.934 121.149 119.070 0.242 0.000 2.788 174 H HA 0.343 4.900 4.556 0.001 0.000 0.254 174 H C -0.808 174.585 175.328 0.107 0.000 1.541 174 H CA -0.651 55.532 56.048 0.224 0.000 1.295 174 H CB -0.640 29.212 29.762 0.150 0.000 1.592 174 H HN 0.255 nan 8.280 nan 0.000 0.545 175 V N 1.325 121.239 119.914 0.001 0.000 3.130 175 V HA 0.796 4.917 4.120 0.001 0.000 0.310 175 V C -0.378 175.579 176.094 -0.228 0.000 1.158 175 V CA -0.706 61.506 62.300 -0.147 0.000 1.029 175 V CB 2.139 33.877 31.823 -0.142 0.000 1.057 175 V HN 0.523 nan 8.190 nan 0.000 0.436 176 T N 0.906 115.306 114.554 -0.257 0.000 2.864 176 T HA 0.463 4.813 4.350 0.001 0.000 0.299 176 T C -1.523 172.966 174.700 -0.350 0.000 1.166 176 T CA -0.113 61.814 62.100 -0.287 0.000 1.007 176 T CB 1.780 70.525 68.868 -0.205 0.000 1.219 176 T HN 1.288 nan 8.240 nan 0.000 0.506 177 D N 0.731 120.940 120.400 -0.319 0.000 2.432 177 D HA 0.182 4.822 4.640 0.001 0.000 0.258 177 D C 0.851 176.923 176.300 -0.379 0.000 1.146 177 D CA -0.404 53.409 54.000 -0.313 0.000 1.015 177 D CB 0.634 41.350 40.800 -0.139 0.000 1.107 177 D HN 0.678 nan 8.370 nan 0.000 0.529 178 Y N 0.025 120.183 120.300 -0.237 0.000 2.165 178 Y HA -0.279 4.272 4.550 0.001 0.000 0.286 178 Y C 3.028 178.738 175.900 -0.318 0.000 1.155 178 Y CA 1.791 59.675 58.100 -0.358 0.000 1.164 178 Y CB -0.285 38.056 38.460 -0.199 0.000 0.978 178 Y HN 0.514 nan 8.280 nan 0.000 0.513 179 S N 0.454 116.148 115.700 -0.011 0.000 2.359 179 S HA -0.293 4.177 4.470 0.001 0.000 0.222 179 S C 1.647 176.205 174.600 -0.071 0.000 1.038 179 S CA 1.924 60.104 58.200 -0.034 0.000 1.051 179 S CB -1.052 62.165 63.200 0.028 0.000 0.944 179 S HN 0.540 nan 8.310 nan 0.000 0.433 180 N N 2.133 120.779 118.700 -0.090 0.000 2.223 180 N HA 0.108 4.848 4.740 0.001 0.000 0.185 180 N C 1.908 177.357 175.510 -0.102 0.000 1.016 180 N CA 1.141 54.146 53.050 -0.076 0.000 0.863 180 N CB -0.439 38.003 38.487 -0.076 0.000 0.983 180 N HN 0.645 nan 8.380 nan 0.000 0.429 181 A N 0.464 123.123 122.820 -0.267 0.000 1.929 181 A HA -0.088 4.233 4.320 0.001 0.000 0.216 181 A C 2.128 179.521 177.584 -0.319 0.000 1.176 181 A CA 1.365 53.146 52.037 -0.426 0.000 0.628 181 A CB -0.756 17.567 19.000 -1.129 0.000 0.816 181 A HN 0.380 nan 8.150 nan 0.000 0.444 182 S N -0.377 115.182 115.700 -0.235 0.000 2.488 182 S HA -0.156 4.315 4.470 0.001 0.000 0.246 182 S C 1.607 176.225 174.600 0.030 0.000 0.992 182 S CA 1.146 59.376 58.200 0.051 0.000 0.963 182 S CB -0.348 62.883 63.200 0.052 0.000 0.754 182 S HN 0.513 nan 8.310 nan 0.000 0.519 183 R N 0.996 121.513 120.500 0.029 0.000 2.312 183 R HA 0.134 4.475 4.340 0.001 0.000 0.205 183 R C 2.090 178.471 176.300 0.135 0.000 0.904 183 R CA 1.152 57.293 56.100 0.067 0.000 1.052 183 R CB -0.826 29.522 30.300 0.080 0.000 1.014 183 R HN 0.800 nan 8.270 nan 0.000 0.503 184 T N -2.612 112.039 114.554 0.162 0.000 3.067 184 T HA 0.055 4.405 4.350 0.001 0.000 0.257 184 T C 1.274 176.022 174.700 0.080 0.000 1.105 184 T CA 0.210 62.439 62.100 0.214 0.000 1.104 184 T CB 0.016 69.125 68.868 0.401 0.000 0.925 184 T HN 0.168 nan 8.240 nan 0.000 0.498 185 M N -0.238 119.366 119.600 0.006 0.000 2.751 185 M HA -0.161 4.320 4.480 0.001 0.000 0.199 185 M C -0.255 176.048 176.300 0.005 0.000 0.550 185 M CA 0.640 55.895 55.300 -0.073 0.000 0.640 185 M CB -1.279 31.230 32.600 -0.152 0.000 2.351 185 M HN 0.428 nan 8.290 nan 0.000 0.613 186 L N -1.406 119.924 121.223 0.179 0.000 3.039 186 L HA 0.355 4.696 4.340 0.001 0.000 0.269 186 L C 0.017 177.179 176.870 0.486 0.000 1.169 186 L CA -0.261 54.736 54.840 0.261 0.000 0.986 186 L CB 0.647 42.838 42.059 0.220 0.000 1.377 186 L HN 0.346 nan 8.230 nan 0.000 0.575 187 F N 1.101 121.202 119.950 0.253 0.000 2.458 187 F HA 0.379 4.906 4.527 0.001 0.000 0.336 187 F C 0.237 176.055 175.800 0.031 0.000 1.114 187 F CA -0.809 57.268 58.000 0.129 0.000 0.987 187 F CB 1.141 40.088 39.000 -0.089 0.000 1.130 187 F HN -0.140 nan 8.300 nan 0.000 0.458 188 N N 6.138 124.463 118.700 -0.625 0.000 2.408 188 N HA 0.214 4.954 4.740 0.001 0.000 0.257 188 N C 1.158 176.339 175.510 -0.548 0.000 1.064 188 N CA -0.283 52.510 53.050 -0.427 0.000 0.952 188 N CB 0.695 39.009 38.487 -0.289 0.000 1.093 188 N HN 0.746 nan 8.380 nan 0.000 0.490 189 I N 0.878 121.348 120.570 -0.168 0.000 3.030 189 I HA 0.106 4.277 4.170 0.001 0.000 0.270 189 I C 1.263 177.430 176.117 0.083 0.000 1.211 189 I CA 0.456 61.775 61.300 0.031 0.000 1.479 189 I CB 0.137 38.268 38.000 0.217 0.000 1.105 189 I HN 0.344 nan 8.210 nan 0.000 0.447 190 K N 1.882 122.277 120.400 -0.008 0.000 2.044 190 K HA 0.081 4.402 4.320 0.001 0.000 0.204 190 K C 1.954 178.526 176.600 -0.048 0.000 1.049 190 K CA 1.115 57.395 56.287 -0.011 0.000 0.945 190 K CB -0.070 32.408 32.500 -0.036 0.000 0.724 190 K HN 0.206 nan 8.250 nan 0.000 0.440 191 K N 0.699 121.035 120.400 -0.108 0.000 2.439 191 K HA 0.060 4.380 4.320 0.001 0.000 0.197 191 K C 0.009 176.516 176.600 -0.155 0.000 1.041 191 K CA 0.434 56.652 56.287 -0.115 0.000 0.970 191 K CB -0.063 32.363 32.500 -0.123 0.000 0.773 191 K HN 0.110 nan 8.250 nan 0.000 0.479 192 L N 1.862 122.930 121.223 -0.260 0.000 3.597 192 L HA -0.243 4.098 4.340 0.001 0.000 0.440 192 L C -0.577 176.141 176.870 -0.252 0.000 1.277 192 L CA 0.279 54.979 54.840 -0.234 0.000 0.852 192 L CB -1.541 40.481 42.059 -0.061 0.000 1.708 192 L HN 0.263 nan 8.230 nan 0.000 0.885 193 D N -1.512 118.448 120.400 -0.733 0.000 2.623 193 D HA 0.352 4.993 4.640 0.001 0.000 0.241 193 D C -0.634 175.383 176.300 -0.471 0.000 1.241 193 D CA -0.446 53.329 54.000 -0.374 0.000 0.788 193 D CB 0.843 41.581 40.800 -0.104 0.000 1.413 193 D HN 0.070 nan 8.370 nan 0.000 0.429 194 W N 1.433 122.784 121.300 0.084 0.000 2.293 194 W HA 0.104 4.764 4.660 0.000 0.000 0.342 194 W C 0.943 177.455 176.519 -0.011 0.000 1.274 194 W CA -0.031 57.379 57.345 0.109 0.000 1.290 194 W CB 0.367 29.915 29.460 0.146 0.000 1.176 194 W HN 0.120 nan 8.180 nan 0.000 0.570 195 D N 3.013 123.586 120.400 0.288 0.000 2.349 195 D HA 0.013 4.653 4.640 0.001 0.000 0.232 195 D C 0.393 176.762 176.300 0.114 0.000 1.071 195 D CA -0.312 53.764 54.000 0.127 0.000 0.832 195 D CB 1.215 42.050 40.800 0.059 0.000 1.086 195 D HN 0.362 nan 8.370 nan 0.000 0.504 196 D N 3.130 123.576 120.400 0.077 0.000 2.087 196 D HA -0.183 4.458 4.640 0.001 0.000 0.192 196 D C 1.419 177.739 176.300 0.033 0.000 0.993 196 D CA 1.278 55.310 54.000 0.053 0.000 0.828 196 D CB 0.244 41.068 40.800 0.039 0.000 0.968 196 D HN 0.655 nan 8.370 nan 0.000 0.448 197 E N -0.016 120.198 120.200 0.024 0.000 2.209 197 E HA -0.169 4.182 4.350 0.001 0.000 0.196 197 E C 1.890 178.488 176.600 -0.004 0.000 0.993 197 E CA 0.381 56.783 56.400 0.004 0.000 0.819 197 E CB 0.062 29.766 29.700 0.006 0.000 0.745 197 E HN 0.150 nan 8.360 nan 0.000 0.477 198 L N 0.182 121.436 121.223 0.051 0.000 2.162 198 L HA -0.081 4.259 4.340 0.001 0.000 0.205 198 L C 2.041 179.007 176.870 0.159 0.000 1.086 198 L CA 1.040 55.957 54.840 0.128 0.000 0.778 198 L CB -0.540 41.623 42.059 0.173 0.000 0.928 198 L HN 0.154 nan 8.230 nan 0.000 0.446 199 L N -0.461 120.813 121.223 0.084 0.000 2.056 199 L HA -0.146 4.195 4.340 0.001 0.000 0.207 199 L C 2.488 179.362 176.870 0.007 0.000 1.078 199 L CA 1.397 56.258 54.840 0.034 0.000 0.749 199 L CB -1.025 41.033 42.059 -0.002 0.000 0.901 199 L HN 0.356 nan 8.230 nan 0.000 0.433 200 E N -0.539 119.651 120.200 -0.016 0.000 2.023 200 E HA -0.259 4.091 4.350 0.001 0.000 0.196 200 E C 2.284 178.816 176.600 -0.114 0.000 1.003 200 E CA 1.094 57.461 56.400 -0.055 0.000 0.809 200 E CB -0.293 29.373 29.700 -0.057 0.000 0.755 200 E HN 0.339 nan 8.360 nan 0.000 0.449 201 L N 0.082 121.191 121.223 -0.191 0.000 2.042 201 L HA -0.195 4.146 4.340 0.001 0.000 0.210 201 L C 1.930 178.498 176.870 -0.504 0.000 1.076 201 L CA 1.547 56.120 54.840 -0.445 0.000 0.749 201 L CB -0.146 41.506 42.059 -0.679 0.000 0.893 201 L HN 0.136 nan 8.230 nan 0.000 0.432 202 F N -0.506 119.362 119.950 -0.137 0.000 2.797 202 F HA 0.029 4.556 4.527 0.001 0.000 0.302 202 F C 0.664 176.398 175.800 -0.109 0.000 1.130 202 F CA 0.213 58.145 58.000 -0.112 0.000 1.387 202 F CB -0.054 38.884 39.000 -0.103 0.000 1.107 202 F HN 0.126 nan 8.300 nan 0.000 0.577 203 D N 1.336 121.736 120.400 -0.000 0.000 2.718 203 D HA -0.210 4.430 4.640 0.001 0.000 0.242 203 D C -0.660 175.617 176.300 -0.038 0.000 1.123 203 D CA 0.362 54.342 54.000 -0.033 0.000 0.690 203 D CB -1.219 39.553 40.800 -0.046 0.000 1.059 203 D HN 0.152 nan 8.370 nan 0.000 0.429 204 I N 1.362 121.905 120.570 -0.045 0.000 2.321 204 I HA 0.377 4.548 4.170 0.001 0.000 0.291 204 I C -1.831 174.218 176.117 -0.113 0.000 0.998 204 I CA -1.762 59.473 61.300 -0.108 0.000 1.227 204 I CB 1.526 39.424 38.000 -0.171 0.000 1.368 204 I HN -0.064 nan 8.210 nan 0.000 0.466 205 P HA 0.130 nan 4.420 nan 0.000 0.276 205 P C 0.235 177.461 177.300 -0.124 0.000 1.230 205 P CA -0.456 62.584 63.100 -0.101 0.000 0.776 205 P CB 0.567 32.211 31.700 -0.093 0.000 0.888 206 E N 1.164 121.302 120.200 -0.103 0.000 2.274 206 E HA -0.142 4.208 4.350 0.001 0.000 0.194 206 E C 1.280 177.810 176.600 -0.117 0.000 0.996 206 E CA 1.057 57.379 56.400 -0.129 0.000 0.840 206 E CB -0.514 29.137 29.700 -0.081 0.000 0.772 206 E HN 0.402 nan 8.360 nan 0.000 0.491 207 S N 0.805 116.458 115.700 -0.079 0.000 2.462 207 S HA -0.140 4.331 4.470 0.001 0.000 0.243 207 S C 1.980 176.541 174.600 -0.065 0.000 1.003 207 S CA 0.991 59.156 58.200 -0.057 0.000 0.970 207 S CB -0.380 62.786 63.200 -0.056 0.000 0.762 207 S HN 0.190 nan 8.310 nan 0.000 0.510 208 V N 1.081 120.938 119.914 -0.096 0.000 2.871 208 V HA 0.211 4.332 4.120 0.001 0.000 0.256 208 V C 0.990 177.107 176.094 0.038 0.000 1.082 208 V CA 0.622 62.876 62.300 -0.076 0.000 1.105 208 V CB -0.527 31.223 31.823 -0.121 0.000 0.713 208 V HN 0.488 nan 8.190 nan 0.000 0.473 209 L N 2.958 124.125 121.223 -0.093 0.000 2.410 209 L HA 0.242 4.582 4.340 0.001 0.000 0.273 209 L C -1.819 174.984 176.870 -0.112 0.000 1.152 209 L CA -1.430 53.273 54.840 -0.228 0.000 0.855 209 L CB 0.153 41.748 42.059 -0.772 0.000 1.129 209 L HN 0.109 nan 8.230 nan 0.000 0.463 210 P HA 0.027 nan 4.420 nan 0.000 0.274 210 P C -0.851 176.479 177.300 0.050 0.000 1.256 210 P CA -0.498 62.262 63.100 -0.567 0.000 0.795 210 P CB 0.632 31.953 31.700 -0.631 0.000 1.038 211 E N 0.217 120.423 120.200 0.010 0.000 2.229 211 E HA 0.236 4.587 4.350 0.001 0.000 0.283 211 E C -0.763 175.834 176.600 -0.006 0.000 1.030 211 E CA -0.698 55.765 56.400 0.105 0.000 0.836 211 E CB 0.635 30.384 29.700 0.081 0.000 1.068 211 E HN 0.078 nan 8.360 nan 0.000 0.401 212 V N 6.533 126.412 119.914 -0.058 0.000 2.470 212 V HA 0.190 4.310 4.120 0.001 0.000 0.276 212 V C 0.564 176.430 176.094 -0.379 0.000 1.040 212 V CA -0.039 62.066 62.300 -0.325 0.000 1.008 212 V CB 0.408 31.920 31.823 -0.519 0.000 0.990 212 V HN 0.645 nan 8.190 nan 0.000 0.477 213 R N 3.122 123.353 120.500 -0.449 0.000 3.084 213 R HA 0.611 4.951 4.340 0.001 0.000 0.234 213 R C -0.184 175.813 176.300 -0.506 0.000 1.433 213 R CA -0.986 54.925 56.100 -0.315 0.000 1.053 213 R CB 0.933 31.254 30.300 0.034 0.000 1.449 213 R HN 0.638 nan 8.270 nan 0.000 0.505 214 E N 0.196 120.313 120.200 -0.138 0.000 2.405 214 E HA 0.175 4.526 4.350 0.001 0.000 0.253 214 E C 0.473 177.130 176.600 0.095 0.000 1.257 214 E CA -0.179 56.232 56.400 0.018 0.000 0.960 214 E CB 0.591 30.351 29.700 0.100 0.000 1.077 214 E HN 0.386 nan 8.360 nan 0.000 0.512 215 S N -0.375 115.394 115.700 0.116 0.000 2.492 215 S HA 0.016 4.487 4.470 0.001 0.000 0.218 215 S C 0.563 175.188 174.600 0.042 0.000 1.016 215 S CA -0.096 58.166 58.200 0.103 0.000 0.916 215 S CB 0.559 63.806 63.200 0.077 0.000 0.791 215 S HN 0.267 nan 8.310 nan 0.000 0.513 216 S N 1.644 117.322 115.700 -0.036 0.000 2.669 216 S HA 0.545 5.015 4.470 0.001 0.000 0.315 216 S C -0.983 173.499 174.600 -0.196 0.000 1.106 216 S CA -0.494 57.634 58.200 -0.119 0.000 1.107 216 S CB 0.479 63.612 63.200 -0.112 0.000 0.990 216 S HN 0.414 nan 8.310 nan 0.000 0.471 217 E N 3.386 123.334 120.200 -0.420 0.000 2.552 217 E HA 0.190 4.540 4.350 0.001 0.000 0.297 217 E C -1.597 174.536 176.600 -0.779 0.000 1.038 217 E CA -0.648 55.450 56.400 -0.503 0.000 0.856 217 E CB 0.977 30.403 29.700 -0.456 0.000 1.222 217 E HN 0.385 nan 8.360 nan 0.000 0.422 218 V N 5.278 124.914 119.914 -0.463 0.000 2.450 218 V HA -0.016 4.105 4.120 0.001 0.000 0.281 218 V C 0.225 176.078 176.094 -0.401 0.000 1.019 218 V CA 0.668 62.704 62.300 -0.440 0.000 1.062 218 V CB -0.274 31.353 31.823 -0.327 0.000 0.979 218 V HN 0.643 nan 8.190 nan 0.000 0.477 219 Y N 3.263 123.482 120.300 -0.135 0.000 2.509 219 Y HA 0.510 5.061 4.550 0.001 0.000 0.270 219 Y C 1.406 177.258 175.900 -0.081 0.000 1.103 219 Y CA 0.588 58.639 58.100 -0.081 0.000 1.278 219 Y CB 0.330 38.751 38.460 -0.065 0.000 1.087 219 Y HN 0.812 nan 8.280 nan 0.000 0.542 220 G N -1.721 107.038 108.800 -0.069 0.000 2.327 220 G HA2 0.326 4.286 3.960 0.001 0.000 0.291 220 G HA3 0.326 4.286 3.960 0.001 0.000 0.291 220 G C -2.354 172.390 174.900 -0.261 0.000 1.290 220 G CA -1.015 44.054 45.100 -0.052 0.000 0.857 220 G HN -0.168 nan 8.290 nan 0.000 0.520 221 Y N -0.021 120.297 120.300 0.030 0.000 2.492 221 Y HA 0.592 5.143 4.550 0.001 0.000 0.346 221 Y C 0.668 176.576 175.900 0.012 0.000 0.997 221 Y CA -0.208 57.904 58.100 0.020 0.000 1.025 221 Y CB 2.504 40.971 38.460 0.011 0.000 1.263 221 Y HN 0.749 nan 8.280 nan 0.000 0.454 222 T N 1.086 115.748 114.554 0.180 0.000 2.832 222 T HA 0.272 4.622 4.350 0.001 0.000 0.296 222 T C -0.296 174.460 174.700 0.093 0.000 0.968 222 T CA -1.177 60.986 62.100 0.106 0.000 1.107 222 T CB 0.426 69.348 68.868 0.090 0.000 0.916 222 T HN 0.357 nan 8.240 nan 0.000 0.517 223 K N 3.075 123.508 120.400 0.055 0.000 2.513 223 K HA -0.134 4.186 4.320 0.001 0.000 0.275 223 K C 1.421 178.046 176.600 0.041 0.000 1.025 223 K CA 0.144 56.453 56.287 0.037 0.000 1.125 223 K CB 0.547 33.059 32.500 0.020 0.000 0.843 223 K HN 0.865 nan 8.250 nan 0.000 0.486 224 K N 3.799 124.217 120.400 0.032 0.000 2.127 224 K HA -0.262 4.059 4.320 0.001 0.000 0.208 224 K C 1.687 178.301 176.600 0.023 0.000 1.047 224 K CA 2.196 58.499 56.287 0.027 0.000 0.927 224 K CB 0.148 32.656 32.500 0.014 0.000 0.716 224 K HN 0.705 nan 8.250 nan 0.000 0.450 225 E N 0.607 120.819 120.200 0.020 0.000 2.107 225 E HA -0.204 4.146 4.350 0.001 0.000 0.191 225 E C 2.181 178.793 176.600 0.020 0.000 0.982 225 E CA 0.758 57.167 56.400 0.017 0.000 0.809 225 E CB -0.418 29.291 29.700 0.014 0.000 0.756 225 E HN 0.254 nan 8.360 nan 0.000 0.459 226 L N 0.600 121.841 121.223 0.031 0.000 2.043 226 L HA -0.169 4.172 4.340 0.001 0.000 0.212 226 L C 2.025 178.903 176.870 0.014 0.000 1.075 226 L CA 1.618 56.480 54.840 0.038 0.000 0.752 226 L CB -0.135 41.966 42.059 0.070 0.000 0.891 226 L HN 0.257 nan 8.230 nan 0.000 0.432 227 L N -2.599 118.635 121.223 0.018 0.000 2.749 227 L HA 0.423 4.764 4.340 0.001 0.000 0.242 227 L C 1.727 178.604 176.870 0.011 0.000 1.103 227 L CA 1.005 55.850 54.840 0.008 0.000 0.906 227 L CB -0.670 41.397 42.059 0.014 0.000 1.228 227 L HN 0.399 nan 8.230 nan 0.000 0.517 228 G N 0.157 108.967 108.800 0.016 0.000 2.308 228 G HA2 -0.185 3.776 3.960 0.001 0.000 0.221 228 G HA3 -0.185 3.776 3.960 0.001 0.000 0.221 228 G C 0.481 175.394 174.900 0.020 0.000 1.032 228 G CA 0.242 45.351 45.100 0.015 0.000 0.623 228 G HN 0.639 nan 8.290 nan 0.000 0.506 229 A N 0.002 122.839 122.820 0.029 0.000 2.350 229 A HA 0.801 5.122 4.320 0.001 0.000 0.318 229 A C -0.114 177.500 177.584 0.049 0.000 1.132 229 A CA 0.471 52.530 52.037 0.036 0.000 0.811 229 A CB 1.280 20.305 19.000 0.042 0.000 1.313 229 A HN 0.836 nan 8.150 nan 0.000 0.454 230 E N 1.059 121.293 120.200 0.056 0.000 2.089 230 E HA 0.515 4.866 4.350 0.001 0.000 0.284 230 E C -1.353 175.339 176.600 0.154 0.000 1.023 230 E CA -0.177 56.277 56.400 0.090 0.000 0.819 230 E CB 0.277 30.005 29.700 0.046 0.000 1.076 230 E HN 0.446 nan 8.360 nan 0.000 0.396 231 I N 6.443 127.121 120.570 0.181 0.000 2.530 231 I HA 0.348 4.518 4.170 0.001 0.000 0.297 231 I C -2.191 174.012 176.117 0.144 0.000 1.011 231 I CA -2.857 58.542 61.300 0.166 0.000 1.107 231 I CB 2.115 40.169 38.000 0.089 0.000 1.285 231 I HN 0.499 nan 8.210 nan 0.000 0.436 232 P HA 0.072 nan 4.420 nan 0.000 0.271 232 P C -0.549 176.638 177.300 -0.190 0.000 1.233 232 P CA -0.119 62.760 63.100 -0.368 0.000 0.764 232 P CB 0.545 32.068 31.700 -0.294 0.000 0.825 233 V N 3.584 123.384 119.914 -0.189 0.000 2.372 233 V HA 0.143 4.263 4.120 0.001 0.000 0.261 233 V C 1.428 177.510 176.094 -0.019 0.000 1.055 233 V CA 0.602 62.887 62.300 -0.024 0.000 0.930 233 V CB 0.028 31.889 31.823 0.064 0.000 1.031 233 V HN 0.749 nan 8.190 nan 0.000 0.479 234 S N 2.529 118.207 115.700 -0.037 0.000 2.780 234 S HA 0.440 4.910 4.470 0.001 0.000 0.248 234 S C 0.424 174.944 174.600 -0.134 0.000 1.036 234 S CA 0.228 58.298 58.200 -0.216 0.000 1.061 234 S CB 0.755 63.849 63.200 -0.177 0.000 1.037 234 S HN 0.909 nan 8.310 nan 0.000 0.584 235 G N 0.479 109.354 108.800 0.125 0.000 2.731 235 G HA2 0.559 4.520 3.960 0.001 0.000 0.298 235 G HA3 0.559 4.520 3.960 0.001 0.000 0.298 235 G C -2.437 172.607 174.900 0.240 0.000 1.424 235 G CA -0.383 44.802 45.100 0.142 0.000 1.029 235 G HN 0.123 nan 8.290 nan 0.000 0.518 236 D N 0.041 120.546 120.400 0.175 0.000 2.548 236 D HA 0.604 5.244 4.640 0.001 0.000 0.214 236 D C -0.650 175.656 176.300 0.010 0.000 1.345 236 D CA 0.028 54.063 54.000 0.057 0.000 0.945 236 D CB 1.462 42.195 40.800 -0.112 0.000 1.499 236 D HN 0.827 nan 8.370 nan 0.000 0.579 237 A N 1.953 124.772 122.820 -0.001 0.000 2.594 237 A HA 0.796 5.116 4.320 0.001 0.000 0.295 237 A C 0.361 177.952 177.584 0.013 0.000 1.071 237 A CA -0.370 51.675 52.037 0.012 0.000 0.685 237 A CB 1.333 20.353 19.000 0.033 0.000 1.285 237 A HN 0.602 nan 8.150 nan 0.000 0.405 238 G N 0.669 109.474 108.800 0.009 0.000 2.474 238 G HA2 0.291 4.251 3.960 0.001 0.000 0.233 238 G HA3 0.291 4.251 3.960 0.001 0.000 0.233 238 G C 0.543 175.447 174.900 0.007 0.000 1.278 238 G CA 0.631 45.730 45.100 -0.003 0.000 0.861 238 G HN 0.936 nan 8.290 nan 0.000 0.567 239 D N 0.871 121.260 120.400 -0.018 0.000 2.149 239 D HA -0.173 4.468 4.640 0.001 0.000 0.198 239 D C 1.824 178.115 176.300 -0.015 0.000 0.990 239 D CA 1.309 55.304 54.000 -0.008 0.000 0.839 239 D CB -0.089 40.702 40.800 -0.014 0.000 0.948 239 D HN 0.384 nan 8.370 nan 0.000 0.460 240 Q N -0.123 119.630 119.800 -0.079 0.000 2.187 240 Q HA -0.050 4.291 4.340 0.001 0.000 0.199 240 Q C 2.292 178.325 176.000 0.055 0.000 0.957 240 Q CA 0.936 56.704 55.803 -0.059 0.000 0.857 240 Q CB -0.264 28.354 28.738 -0.201 0.000 0.929 240 Q HN 0.645 nan 8.270 nan 0.000 0.453 241 Q N -0.133 119.717 119.800 0.084 0.000 2.230 241 Q HA 0.051 4.391 4.340 0.001 0.000 0.202 241 Q C 1.762 177.946 176.000 0.307 0.000 0.963 241 Q CA 1.297 57.231 55.803 0.217 0.000 0.866 241 Q CB -0.483 28.386 28.738 0.219 0.000 0.931 241 Q HN 0.228 nan 8.270 nan 0.000 0.452 242 A N 1.744 124.672 122.820 0.181 0.000 1.930 242 A HA 0.131 4.452 4.320 0.001 0.000 0.217 242 A C 2.429 180.111 177.584 0.164 0.000 1.175 242 A CA 1.615 53.742 52.037 0.150 0.000 0.627 242 A CB -0.647 18.394 19.000 0.070 0.000 0.815 242 A HN 0.453 nan 8.150 nan 0.000 0.443 243 A N -0.542 122.357 122.820 0.132 0.000 1.969 243 A HA -0.002 4.318 4.320 0.001 0.000 0.218 243 A C 2.052 179.722 177.584 0.142 0.000 1.169 243 A CA 1.558 53.667 52.037 0.121 0.000 0.635 243 A CB -0.529 18.534 19.000 0.104 0.000 0.810 243 A HN 0.584 nan 8.150 nan 0.000 0.445 244 L N -1.880 119.466 121.223 0.204 0.000 2.079 244 L HA -0.089 4.252 4.340 0.001 0.000 0.210 244 L C 2.102 179.092 176.870 0.200 0.000 1.081 244 L CA 1.959 56.939 54.840 0.232 0.000 0.752 244 L CB -0.576 41.693 42.059 0.350 0.000 0.896 244 L HN 0.440 nan 8.230 nan 0.000 0.433 245 F N -0.282 119.707 119.950 0.066 0.000 2.179 245 F HA 0.119 4.646 4.527 0.001 0.000 0.292 245 F C 2.292 178.047 175.800 -0.075 0.000 1.089 245 F CA 1.195 59.099 58.000 -0.159 0.000 1.295 245 F CB -0.767 38.054 39.000 -0.297 0.000 1.041 245 F HN 0.095 nan 8.300 nan 0.000 0.487 246 G N -0.466 108.431 108.800 0.162 0.000 2.532 246 G HA2 -0.254 3.707 3.960 0.001 0.000 0.222 246 G HA3 -0.254 3.707 3.960 0.001 0.000 0.222 246 G C 1.364 176.299 174.900 0.057 0.000 1.102 246 G CA 0.684 45.808 45.100 0.040 0.000 0.742 246 G HN 0.331 nan 8.290 nan 0.000 0.577 247 Q N -0.547 119.225 119.800 -0.047 0.000 2.280 247 Q HA 0.400 4.741 4.340 0.001 0.000 0.202 247 Q C 1.534 177.165 176.000 -0.615 0.000 0.903 247 Q CA 0.398 56.130 55.803 -0.119 0.000 0.948 247 Q CB 0.199 28.873 28.738 -0.106 0.000 1.058 247 Q HN 0.558 nan 8.270 nan 0.000 0.493 248 A N 0.526 122.902 122.820 -0.741 0.000 2.748 248 A HA -0.245 4.076 4.320 0.001 0.000 0.297 248 A C 0.775 177.495 177.584 -1.440 0.000 1.508 248 A CA 0.876 52.047 52.037 -1.443 0.000 0.799 248 A CB -1.765 16.766 19.000 -0.781 0.000 1.011 248 A HN 0.370 nan 8.150 nan 0.000 0.500 249 A N -0.584 121.648 122.820 -0.979 0.000 3.091 249 A HA 0.639 4.959 4.320 0.001 0.000 0.264 249 A C 0.543 178.018 177.584 -0.181 0.000 1.673 249 A CA 0.160 51.920 52.037 -0.462 0.000 1.362 249 A CB -0.891 17.989 19.000 -0.200 0.000 1.137 249 A HN 0.800 nan 8.150 nan 0.000 0.617 250 F N -0.172 119.744 119.950 -0.057 0.000 2.749 250 F HA 0.143 4.671 4.527 0.001 0.000 0.300 250 F C 1.070 176.911 175.800 0.069 0.000 1.103 250 F CA 0.088 58.110 58.000 0.036 0.000 1.342 250 F CB 0.517 39.441 39.000 -0.126 0.000 1.098 250 F HN 0.389 nan 8.300 nan 0.000 0.586 251 E N 0.655 120.946 120.200 0.151 0.000 2.221 251 E HA 0.538 4.888 4.350 0.001 0.000 0.268 251 E C -0.482 176.146 176.600 0.046 0.000 0.933 251 E CA -0.980 55.473 56.400 0.088 0.000 0.809 251 E CB 1.917 31.635 29.700 0.030 0.000 1.190 251 E HN 0.014 nan 8.360 nan 0.000 0.406 252 A N 1.117 123.955 122.820 0.031 0.000 2.524 252 A HA 0.423 4.744 4.320 0.001 0.000 0.250 252 A C 1.087 178.664 177.584 -0.012 0.000 1.078 252 A CA 0.988 53.028 52.037 0.004 0.000 0.761 252 A CB -0.544 18.454 19.000 -0.003 0.000 1.012 252 A HN 0.839 nan 8.150 nan 0.000 0.500 253 G N 1.542 110.330 108.800 -0.021 0.000 2.231 253 G HA2 -0.177 3.783 3.960 0.001 0.000 0.206 253 G HA3 -0.177 3.783 3.960 0.001 0.000 0.206 253 G C 0.271 175.148 174.900 -0.038 0.000 0.996 253 G CA 0.071 45.154 45.100 -0.029 0.000 0.645 253 G HN 0.680 nan 8.290 nan 0.000 0.498 254 M N 1.618 121.191 119.600 -0.044 0.000 2.200 254 M HA 0.483 4.963 4.480 0.001 0.000 0.355 254 M C -0.032 176.237 176.300 -0.052 0.000 1.283 254 M CA 0.144 55.401 55.300 -0.072 0.000 1.124 254 M CB 1.414 33.951 32.600 -0.106 0.000 1.625 254 M HN 0.005 nan 8.290 nan 0.000 0.463 255 V N 3.683 123.564 119.914 -0.055 0.000 2.540 255 V HA 0.545 4.666 4.120 0.001 0.000 0.302 255 V C -0.541 175.540 176.094 -0.022 0.000 1.035 255 V CA -0.962 61.321 62.300 -0.028 0.000 0.873 255 V CB 1.600 33.409 31.823 -0.023 0.000 0.992 255 V HN 0.827 nan 8.190 nan 0.000 0.428 256 K N 3.004 123.407 120.400 0.005 0.000 2.281 256 K HA 0.975 5.295 4.320 0.001 0.000 0.242 256 K C -0.786 175.833 176.600 0.031 0.000 0.971 256 K CA -0.613 55.693 56.287 0.031 0.000 0.834 256 K CB 2.296 34.826 32.500 0.049 0.000 1.181 256 K HN 0.850 nan 8.250 nan 0.000 0.435 257 A N 1.381 124.224 122.820 0.039 0.000 2.330 257 A HA 0.593 4.913 4.320 0.001 0.000 0.313 257 A C -0.960 176.622 177.584 -0.003 0.000 1.124 257 A CA -0.748 51.258 52.037 -0.052 0.000 0.774 257 A CB 0.973 19.869 19.000 -0.172 0.000 1.198 257 A HN 0.703 nan 8.150 nan 0.000 0.465 258 T N 2.301 116.853 114.554 -0.005 0.000 2.795 258 T HA 0.510 4.861 4.350 0.001 0.000 0.282 258 T C -1.125 173.584 174.700 0.015 0.000 0.980 258 T CA 0.234 62.398 62.100 0.108 0.000 1.012 258 T CB 0.311 69.272 68.868 0.155 0.000 0.936 258 T HN 0.383 nan 8.240 nan 0.000 0.457 259 Y N 1.692 122.055 120.300 0.104 0.000 2.369 259 Y HA 0.607 5.157 4.550 0.001 0.000 0.337 259 Y C 0.867 176.839 175.900 0.120 0.000 0.961 259 Y CA -0.468 57.682 58.100 0.083 0.000 1.186 259 Y CB 1.291 39.773 38.460 0.036 0.000 1.139 259 Y HN 0.892 nan 8.280 nan 0.000 0.494 260 G N 0.627 109.587 108.800 0.266 0.000 3.377 260 G HA2 0.099 4.059 3.960 0.001 0.000 0.182 260 G HA3 0.099 4.059 3.960 0.001 0.000 0.182 260 G C 0.800 175.845 174.900 0.242 0.000 1.166 260 G CA -0.111 45.141 45.100 0.253 0.000 0.771 260 G HN 0.355 nan 8.290 nan 0.000 0.701 261 T N 0.603 115.336 114.554 0.298 0.000 2.652 261 T HA 0.123 4.473 4.350 0.001 0.000 0.267 261 T C 1.281 176.145 174.700 0.273 0.000 1.039 261 T CA 1.695 63.979 62.100 0.306 0.000 1.153 261 T CB -0.554 68.577 68.868 0.438 0.000 0.863 261 T HN 0.650 nan 8.240 nan 0.000 0.428 262 G N -0.314 108.692 108.800 0.344 0.000 2.820 262 G HA2 0.598 4.558 3.960 0.001 0.000 0.291 262 G HA3 0.598 4.558 3.960 0.001 0.000 0.291 262 G C -1.115 173.706 174.900 -0.132 0.000 1.323 262 G CA -0.508 44.627 45.100 0.058 0.000 1.055 262 G HN 0.276 nan 8.290 nan 0.000 0.520 263 S N -1.230 114.125 115.700 -0.575 0.000 2.548 263 S HA 0.755 5.225 4.470 0.001 0.000 0.286 263 S C -1.596 172.506 174.600 -0.830 0.000 1.098 263 S CA -0.291 57.627 58.200 -0.469 0.000 0.930 263 S CB 1.334 64.252 63.200 -0.470 0.000 1.070 263 S HN 0.397 nan 8.310 nan 0.000 0.480 264 F N 1.435 121.279 119.950 -0.176 0.000 2.574 264 F HA 0.616 5.144 4.527 0.001 0.000 0.313 264 F C -0.819 174.917 175.800 -0.107 0.000 1.130 264 F CA -0.767 57.166 58.000 -0.111 0.000 0.936 264 F CB 1.213 40.179 39.000 -0.056 0.000 1.219 264 F HN 0.273 nan 8.300 nan 0.000 0.445 265 I N 4.239 124.854 120.570 0.076 0.000 2.447 265 I HA 0.490 4.660 4.170 0.001 0.000 0.287 265 I C -1.248 174.907 176.117 0.063 0.000 1.023 265 I CA -0.325 60.984 61.300 0.016 0.000 1.083 265 I CB 1.701 39.669 38.000 -0.052 0.000 1.245 265 I HN 0.339 nan 8.210 nan 0.000 0.434 266 L N 6.996 128.255 121.223 0.060 0.000 2.385 266 L HA 0.632 4.972 4.340 0.001 0.000 0.273 266 L C -0.611 176.277 176.870 0.030 0.000 0.990 266 L CA -0.601 54.275 54.840 0.059 0.000 0.821 266 L CB 2.063 44.168 42.059 0.077 0.000 1.279 266 L HN 0.205 nan 8.230 nan 0.000 0.412 267 V N 2.236 122.160 119.914 0.016 0.000 2.427 267 V HA 0.400 4.520 4.120 0.001 0.000 0.286 267 V C 0.132 176.217 176.094 -0.015 0.000 1.034 267 V CA -0.861 61.437 62.300 -0.002 0.000 0.893 267 V CB 1.502 33.320 31.823 -0.008 0.000 0.982 267 V HN 0.725 nan 8.190 nan 0.000 0.452 268 N N 3.244 121.931 118.700 -0.021 0.000 2.442 268 N HA 0.073 4.814 4.740 0.001 0.000 0.265 268 N C 0.862 176.346 175.510 -0.043 0.000 1.138 268 N CA 0.455 53.475 53.050 -0.051 0.000 0.956 268 N CB 1.573 40.059 38.487 -0.001 0.000 1.067 268 N HN 0.899 nan 8.380 nan 0.000 0.474 269 T N -0.056 114.465 114.554 -0.054 0.000 3.085 269 T HA 0.075 4.425 4.350 0.001 0.000 0.264 269 T C 0.714 175.399 174.700 -0.025 0.000 1.019 269 T CA 0.132 62.210 62.100 -0.036 0.000 0.910 269 T CB -0.021 68.821 68.868 -0.043 0.000 1.059 269 T HN 0.625 nan 8.240 nan 0.000 0.542 270 D N 2.799 123.183 120.400 -0.027 0.000 3.608 270 D HA -0.321 4.319 4.640 0.001 0.000 0.152 270 D C 0.627 176.957 176.300 0.051 0.000 0.971 270 D CA 1.713 55.712 54.000 -0.001 0.000 1.072 270 D CB -1.062 39.727 40.800 -0.018 0.000 0.507 270 D HN 0.381 nan 8.370 nan 0.000 0.520 271 K N -0.077 120.346 120.400 0.038 0.000 2.486 271 K HA 0.126 4.446 4.320 0.001 0.000 0.194 271 K C 0.678 177.263 176.600 -0.025 0.000 1.033 271 K CA 0.270 56.589 56.287 0.052 0.000 1.004 271 K CB -0.068 32.444 32.500 0.019 0.000 0.798 271 K HN 0.347 nan 8.250 nan 0.000 0.495 272 M N 1.513 121.072 119.600 -0.068 0.000 2.277 272 M HA 0.132 4.613 4.480 0.001 0.000 0.350 272 M C -0.383 175.736 176.300 -0.301 0.000 1.180 272 M CA -0.435 54.762 55.300 -0.173 0.000 1.103 272 M CB 1.806 34.322 32.600 -0.139 0.000 1.577 272 M HN -0.293 nan 8.290 nan 0.000 0.459 273 V N 5.479 125.114 119.914 -0.465 0.000 2.318 273 V HA 0.390 4.511 4.120 0.001 0.000 0.271 273 V C -0.028 175.671 176.094 -0.658 0.000 1.030 273 V CA -0.510 61.431 62.300 -0.597 0.000 0.844 273 V CB 0.651 32.056 31.823 -0.696 0.000 1.015 273 V HN 0.697 nan 8.190 nan 0.000 0.460 274 L N 4.933 125.875 121.223 -0.469 0.000 2.322 274 L HA 0.592 4.933 4.340 0.001 0.000 0.279 274 L C -0.936 175.731 176.870 -0.339 0.000 1.036 274 L CA -0.776 53.788 54.840 -0.460 0.000 0.807 274 L CB 1.615 43.548 42.059 -0.209 0.000 1.226 274 L HN 0.468 nan 8.230 nan 0.000 0.433 275 Y N 0.874 121.147 120.300 -0.045 0.000 2.341 275 Y HA 0.510 5.061 4.550 0.001 0.000 0.337 275 Y C 0.305 176.196 175.900 -0.014 0.000 1.014 275 Y CA -1.073 57.007 58.100 -0.033 0.000 1.111 275 Y CB 1.996 40.433 38.460 -0.039 0.000 1.194 275 Y HN 0.415 nan 8.280 nan 0.000 0.462 276 S N 1.798 117.604 115.700 0.176 0.000 2.668 276 S HA 0.270 4.740 4.470 0.001 0.000 0.277 276 S C 0.033 174.683 174.600 0.083 0.000 1.170 276 S CA -0.745 57.522 58.200 0.111 0.000 0.994 276 S CB 0.676 63.932 63.200 0.095 0.000 1.051 276 S HN 0.664 nan 8.310 nan 0.000 0.484 277 D N 3.515 123.952 120.400 0.061 0.000 2.228 277 D HA -0.093 4.548 4.640 0.001 0.000 0.203 277 D C 0.888 177.217 176.300 0.048 0.000 0.988 277 D CA 1.553 55.573 54.000 0.034 0.000 0.864 277 D CB 0.025 40.849 40.800 0.039 0.000 0.928 277 D HN 0.725 nan 8.370 nan 0.000 0.469 278 N N -1.308 117.459 118.700 0.111 0.000 2.159 278 N HA 0.222 4.963 4.740 0.001 0.000 0.217 278 N C -0.106 175.637 175.510 0.388 0.000 1.223 278 N CA -0.163 53.025 53.050 0.230 0.000 0.896 278 N CB 1.504 40.098 38.487 0.179 0.000 1.064 278 N HN -0.014 nan 8.380 nan 0.000 0.518 279 L N 0.432 121.814 121.223 0.265 0.000 2.230 279 L HA 0.592 4.933 4.340 0.001 0.000 0.255 279 L C -0.876 176.139 176.870 0.241 0.000 1.039 279 L CA -1.066 53.953 54.840 0.298 0.000 0.846 279 L CB 1.768 43.930 42.059 0.173 0.000 1.419 279 L HN -0.150 nan 8.230 nan 0.000 0.435 280 L N 0.132 121.514 121.223 0.264 0.000 2.309 280 L HA 0.480 4.820 4.340 0.001 0.000 0.282 280 L C -0.526 176.427 176.870 0.138 0.000 1.036 280 L CA -0.404 54.554 54.840 0.198 0.000 0.806 280 L CB 1.685 43.926 42.059 0.302 0.000 1.220 280 L HN 0.509 nan 8.230 nan 0.000 0.429 281 T N 1.106 115.719 114.554 0.099 0.000 2.749 281 T HA 0.417 4.768 4.350 0.001 0.000 0.287 281 T C -0.066 174.697 174.700 0.106 0.000 0.970 281 T CA -0.223 61.940 62.100 0.105 0.000 0.980 281 T CB 1.495 70.437 68.868 0.123 0.000 0.924 281 T HN 0.615 nan 8.240 nan 0.000 0.456 282 T N 2.586 117.209 114.554 0.116 0.000 2.887 282 T HA 0.677 5.028 4.350 0.001 0.000 0.292 282 T C -0.682 174.052 174.700 0.057 0.000 1.087 282 T CA -0.719 61.432 62.100 0.085 0.000 1.009 282 T CB 0.794 69.707 68.868 0.076 0.000 1.203 282 T HN 0.441 nan 8.240 nan 0.000 0.518 283 I N 2.867 123.414 120.570 -0.038 0.000 2.395 283 I HA 0.387 4.557 4.170 0.001 0.000 0.289 283 I C 1.385 177.381 176.117 -0.202 0.000 1.023 283 I CA -0.554 60.609 61.300 -0.229 0.000 1.350 283 I CB 1.580 39.419 38.000 -0.268 0.000 1.409 283 I HN 0.852 nan 8.210 nan 0.000 0.507 284 A N 6.815 129.409 122.820 -0.378 0.000 1.832 284 A HA 0.050 4.371 4.320 0.001 0.000 0.214 284 A C 0.016 177.473 177.584 -0.212 0.000 1.204 284 A CA 1.156 52.904 52.037 -0.483 0.000 0.606 284 A CB -0.106 18.201 19.000 -1.156 0.000 0.849 284 A HN 0.861 nan 8.150 nan 0.000 0.445 285 W N -4.498 116.785 121.300 -0.029 0.000 3.057 285 W HA 0.558 5.219 4.660 0.001 0.000 0.328 285 W C -0.411 176.099 176.519 -0.015 0.000 1.232 285 W CA -0.948 56.385 57.345 -0.020 0.000 1.187 285 W CB 0.185 29.615 29.460 -0.050 0.000 1.417 285 W HN 0.393 nan 8.180 nan 0.000 0.569 286 G N 1.754 110.767 108.800 0.355 0.000 2.347 286 G HA2 0.624 4.584 3.960 0.001 0.000 0.314 286 G HA3 0.624 4.584 3.960 0.001 0.000 0.314 286 G C -2.196 172.879 174.900 0.291 0.000 1.126 286 G CA -0.722 44.571 45.100 0.321 0.000 0.929 286 G HN 0.783 nan 8.290 nan 0.000 0.441 287 L N 2.100 123.484 121.223 0.269 0.000 2.422 287 L HA 0.519 4.860 4.340 0.001 0.000 0.264 287 L C 0.172 177.113 176.870 0.119 0.000 0.984 287 L CA -0.621 54.317 54.840 0.163 0.000 0.819 287 L CB 1.706 43.859 42.059 0.158 0.000 1.330 287 L HN 0.589 nan 8.230 nan 0.000 0.410 288 N N 3.851 122.590 118.700 0.066 0.000 2.710 288 N HA -0.224 4.516 4.740 0.001 0.000 0.249 288 N C 0.931 176.474 175.510 0.054 0.000 1.059 288 N CA 1.452 54.530 53.050 0.047 0.000 0.720 288 N CB -1.163 37.343 38.487 0.032 0.000 0.983 288 N HN 1.315 nan 8.380 nan 0.000 0.544 289 G N -0.865 107.978 108.800 0.072 0.000 2.176 289 G HA2 -0.352 3.608 3.960 0.001 0.000 0.253 289 G HA3 -0.352 3.608 3.960 0.001 0.000 0.253 289 G C 0.014 174.949 174.900 0.058 0.000 0.979 289 G CA 0.623 45.764 45.100 0.069 0.000 0.641 289 G HN 0.874 nan 8.290 nan 0.000 0.530 290 R N -1.007 119.533 120.500 0.066 0.000 2.807 290 R HA 0.789 5.129 4.340 0.001 0.000 0.276 290 R C -1.124 175.188 176.300 0.019 0.000 0.979 290 R CA -0.991 55.133 56.100 0.039 0.000 0.928 290 R CB 2.272 32.601 30.300 0.049 0.000 1.191 290 R HN 0.181 nan 8.270 nan 0.000 0.471 291 V N 1.733 121.600 119.914 -0.077 0.000 2.370 291 V HA 0.287 4.407 4.120 0.001 0.000 0.283 291 V C -0.205 175.733 176.094 -0.260 0.000 1.023 291 V CA -0.519 61.635 62.300 -0.243 0.000 0.857 291 V CB 1.721 33.268 31.823 -0.459 0.000 0.985 291 V HN 0.835 nan 8.190 nan 0.000 0.443 292 S N 3.884 119.337 115.700 -0.412 0.000 2.508 292 S HA 0.695 5.165 4.470 0.001 0.000 0.284 292 S C -0.868 173.378 174.600 -0.591 0.000 1.192 292 S CA -0.266 57.653 58.200 -0.468 0.000 1.070 292 S CB 0.691 63.436 63.200 -0.757 0.000 1.004 292 S HN 0.529 nan 8.310 nan 0.000 0.493 293 Y N 0.795 120.923 120.300 -0.287 0.000 2.596 293 Y HA 0.763 5.313 4.550 0.001 0.000 0.326 293 Y C 0.473 176.239 175.900 -0.223 0.000 1.167 293 Y CA -0.593 57.375 58.100 -0.221 0.000 1.246 293 Y CB 1.290 39.658 38.460 -0.154 0.000 1.347 293 Y HN 0.739 nan 8.280 nan 0.000 0.515 294 A N 0.685 123.520 122.820 0.025 0.000 2.610 294 A HA 0.691 5.011 4.320 0.001 0.000 0.291 294 A C -2.502 175.104 177.584 0.036 0.000 1.086 294 A CA -0.596 51.431 52.037 -0.018 0.000 0.677 294 A CB 1.486 20.448 19.000 -0.063 0.000 1.278 294 A HN 0.511 nan 8.150 nan 0.000 0.414 295 L N 0.724 121.966 121.223 0.031 0.000 2.341 295 L HA 0.740 5.081 4.340 0.001 0.000 0.278 295 L C -0.157 176.759 176.870 0.077 0.000 1.005 295 L CA -0.029 54.844 54.840 0.055 0.000 0.818 295 L CB 1.584 43.662 42.059 0.031 0.000 1.259 295 L HN 0.864 nan 8.230 nan 0.000 0.418 296 E N 2.413 122.688 120.200 0.125 0.000 2.288 296 E HA 0.741 5.092 4.350 0.001 0.000 0.268 296 E C -1.110 175.600 176.600 0.182 0.000 0.885 296 E CA -0.902 55.595 56.400 0.161 0.000 0.767 296 E CB 1.884 31.717 29.700 0.222 0.000 1.220 296 E HN 0.770 nan 8.360 nan 0.000 0.427 297 G N 1.273 110.147 108.800 0.123 0.000 2.461 297 G HA2 0.498 4.459 3.960 0.001 0.000 0.323 297 G HA3 0.498 4.459 3.960 0.001 0.000 0.323 297 G C -1.130 173.772 174.900 0.002 0.000 1.229 297 G CA -0.517 44.619 45.100 0.059 0.000 0.941 297 G HN 0.338 nan 8.290 nan 0.000 0.477 298 S N 0.750 116.384 115.700 -0.110 0.000 2.596 298 S HA 0.542 5.013 4.470 0.001 0.000 0.318 298 S C -0.522 173.635 174.600 -0.738 0.000 1.097 298 S CA -0.315 57.758 58.200 -0.212 0.000 1.080 298 S CB 1.044 64.366 63.200 0.203 0.000 0.991 298 S HN 0.490 nan 8.310 nan 0.000 0.471 299 I N 3.497 123.511 120.570 -0.927 0.000 2.410 299 I HA 0.325 4.496 4.170 0.001 0.000 0.286 299 I C -0.078 175.653 176.117 -0.644 0.000 1.009 299 I CA -0.546 60.291 61.300 -0.772 0.000 1.111 299 I CB 1.177 38.869 38.000 -0.513 0.000 1.262 299 I HN 0.527 nan 8.210 nan 0.000 0.443 300 F N 4.922 124.656 119.950 -0.359 0.000 2.259 300 F HA 0.064 4.592 4.527 0.000 0.000 0.298 300 F C 1.007 176.806 175.800 -0.002 0.000 1.088 300 F CA 0.374 58.318 58.000 -0.093 0.000 1.358 300 F CB -0.181 38.803 39.000 -0.027 0.000 1.040 300 F HN 0.084 nan 8.300 nan 0.000 0.505 301 V N 0.540 120.462 119.914 0.012 0.000 2.462 301 V HA 0.291 4.411 4.120 0.001 0.000 0.288 301 V C 0.323 176.302 176.094 -0.192 0.000 1.020 301 V CA 0.206 62.446 62.300 -0.101 0.000 0.857 301 V CB 1.268 32.892 31.823 -0.332 0.000 1.013 301 V HN 0.313 nan 8.190 nan 0.000 0.431 302 T N 0.804 115.296 114.554 -0.103 0.000 3.361 302 T HA 0.165 4.515 4.350 0.001 0.000 0.241 302 T C 1.751 176.442 174.700 -0.014 0.000 0.998 302 T CA 0.865 62.912 62.100 -0.088 0.000 1.215 302 T CB -0.003 68.837 68.868 -0.048 0.000 1.196 302 T HN 0.578 nan 8.240 nan 0.000 0.376 303 G N 1.002 109.846 108.800 0.073 0.000 2.511 303 G HA2 0.289 4.250 3.960 0.001 0.000 0.217 303 G HA3 0.289 4.250 3.960 0.001 0.000 0.217 303 G C 1.751 176.731 174.900 0.132 0.000 1.133 303 G CA 0.727 45.895 45.100 0.113 0.000 0.792 303 G HN 0.771 nan 8.290 nan 0.000 0.539 304 A N 1.078 123.974 122.820 0.128 0.000 2.076 304 A HA 0.255 4.575 4.320 0.001 0.000 0.220 304 A C 2.681 180.426 177.584 0.269 0.000 1.160 304 A CA 2.017 54.167 52.037 0.189 0.000 0.653 304 A CB -0.444 18.661 19.000 0.175 0.000 0.801 304 A HN 0.637 nan 8.150 nan 0.000 0.455 305 A N -0.716 122.158 122.820 0.090 0.000 1.968 305 A HA 0.099 4.420 4.320 0.001 0.000 0.217 305 A C 2.151 179.992 177.584 0.429 0.000 1.169 305 A CA 1.507 53.669 52.037 0.209 0.000 0.638 305 A CB -0.615 18.244 19.000 -0.236 0.000 0.812 305 A HN 0.346 nan 8.150 nan 0.000 0.446 306 V N 0.212 120.280 119.914 0.256 0.000 2.379 306 V HA -0.225 3.895 4.120 0.001 0.000 0.245 306 V C 2.629 178.856 176.094 0.222 0.000 1.044 306 V CA 1.808 64.244 62.300 0.227 0.000 1.036 306 V CB -0.745 31.164 31.823 0.142 0.000 0.664 306 V HN 0.538 nan 8.190 nan 0.000 0.453 307 Q N -1.129 118.810 119.800 0.231 0.000 2.135 307 Q HA -0.284 4.056 4.340 0.001 0.000 0.204 307 Q C 1.963 178.105 176.000 0.236 0.000 0.981 307 Q CA 2.190 58.114 55.803 0.201 0.000 0.856 307 Q CB -0.534 28.328 28.738 0.206 0.000 0.902 307 Q HN 0.867 nan 8.270 nan 0.000 0.425 308 W N 1.382 122.807 121.300 0.207 0.000 2.388 308 W HA -0.074 4.587 4.660 0.002 0.000 0.294 308 W C 1.664 178.267 176.519 0.140 0.000 1.212 308 W CA 0.843 58.309 57.345 0.201 0.000 1.271 308 W CB -0.250 29.434 29.460 0.373 0.000 1.126 308 W HN 0.029 nan 8.180 nan 0.000 0.535 309 L N 0.552 121.786 121.223 0.019 0.000 2.131 309 L HA -0.159 4.181 4.340 0.001 0.000 0.210 309 L C 2.772 179.500 176.870 -0.236 0.000 1.092 309 L CA 1.549 56.244 54.840 -0.242 0.000 0.759 309 L CB -0.822 41.243 42.059 0.011 0.000 0.903 309 L HN 0.031 nan 8.230 nan 0.000 0.435 310 R N -0.292 120.136 120.500 -0.120 0.000 2.100 310 R HA -0.084 4.257 4.340 0.001 0.000 0.220 310 R C 1.082 177.297 176.300 -0.141 0.000 1.091 310 R CA 1.345 57.376 56.100 -0.115 0.000 0.986 310 R CB 0.279 30.546 30.300 -0.056 0.000 0.888 310 R HN 0.278 nan 8.270 nan 0.000 0.444 311 D N -1.844 118.477 120.400 -0.131 0.000 2.469 311 D HA 0.126 4.767 4.640 0.001 0.000 0.240 311 D C 1.141 177.355 176.300 -0.143 0.000 1.087 311 D CA 0.678 54.622 54.000 -0.093 0.000 0.876 311 D CB 0.492 41.291 40.800 -0.002 0.000 1.160 311 D HN 0.316 nan 8.370 nan 0.000 0.497 312 G N 1.383 109.999 108.800 -0.307 0.000 2.695 312 G HA2 0.026 3.987 3.960 0.001 0.000 0.219 312 G HA3 0.026 3.987 3.960 0.001 0.000 0.219 312 G C 1.436 176.058 174.900 -0.463 0.000 1.295 312 G CA 0.304 45.177 45.100 -0.378 0.000 0.882 312 G HN 0.301 nan 8.290 nan 0.000 0.570 313 I N -2.538 117.541 120.570 -0.818 0.000 3.578 313 I HA 0.375 4.545 4.170 0.001 0.000 0.295 313 I C 0.515 176.417 176.117 -0.358 0.000 1.280 313 I CA 0.180 61.169 61.300 -0.518 0.000 1.347 313 I CB -0.007 37.640 38.000 -0.588 0.000 1.051 313 I HN 0.041 nan 8.210 nan 0.000 0.460 314 K N 1.380 121.571 120.400 -0.348 0.000 3.096 314 K HA -0.179 4.142 4.320 0.001 0.000 0.266 314 K C 0.719 177.207 176.600 -0.187 0.000 1.043 314 K CA 0.972 57.126 56.287 -0.221 0.000 0.758 314 K CB -1.968 30.434 32.500 -0.163 0.000 1.260 314 K HN 0.793 nan 8.250 nan 0.000 0.481 315 I N -1.990 118.457 120.570 -0.205 0.000 3.684 315 I HA 0.156 4.326 4.170 0.001 0.000 0.304 315 I C 0.758 176.809 176.117 -0.109 0.000 1.278 315 I CA -0.041 61.172 61.300 -0.145 0.000 1.272 315 I CB 0.002 37.917 38.000 -0.142 0.000 1.029 315 I HN 0.279 nan 8.210 nan 0.000 0.458 316 I N -2.953 117.547 120.570 -0.117 0.000 2.969 316 I HA 0.543 4.714 4.170 0.001 0.000 0.307 316 I C 0.164 176.197 176.117 -0.140 0.000 1.149 316 I CA -1.003 60.240 61.300 -0.095 0.000 1.008 316 I CB 2.189 40.155 38.000 -0.057 0.000 1.232 316 I HN -0.284 nan 8.210 nan 0.000 0.435 317 K N 0.617 120.915 120.400 -0.169 0.000 2.166 317 K HA 0.256 4.577 4.320 0.001 0.000 0.201 317 K C -0.563 175.624 176.600 -0.689 0.000 1.052 317 K CA 0.999 57.058 56.287 -0.380 0.000 0.969 317 K CB 0.112 32.417 32.500 -0.324 0.000 0.761 317 K HN 0.713 nan 8.250 nan 0.000 0.459 318 H N -2.773 116.286 119.070 -0.018 0.000 2.930 318 H HA 0.382 4.939 4.556 0.001 0.000 0.371 318 H C 0.167 175.493 175.328 -0.002 0.000 1.169 318 H CA -0.199 55.844 56.048 -0.008 0.000 1.157 318 H CB 1.966 31.722 29.762 -0.009 0.000 1.789 318 H HN -0.040 nan 8.280 nan 0.000 0.547 319 A N 1.356 124.253 122.820 0.129 0.000 1.958 319 A HA -0.278 4.043 4.320 0.001 0.000 0.221 319 A C 2.366 179.992 177.584 0.071 0.000 1.178 319 A CA 2.534 54.623 52.037 0.087 0.000 0.642 319 A CB -1.100 17.950 19.000 0.083 0.000 0.816 319 A HN 0.774 nan 8.150 nan 0.000 0.453 320 S N 0.036 115.785 115.700 0.082 0.000 2.374 320 S HA -0.268 4.202 4.470 0.001 0.000 0.227 320 S C 1.634 176.253 174.600 0.031 0.000 1.037 320 S CA 1.645 59.869 58.200 0.039 0.000 1.024 320 S CB -0.699 62.504 63.200 0.005 0.000 0.861 320 S HN 0.682 nan 8.310 nan 0.000 0.456 321 E N 0.530 120.762 120.200 0.053 0.000 2.267 321 E HA -0.097 4.253 4.350 0.001 0.000 0.197 321 E C 1.898 178.490 176.600 -0.013 0.000 0.998 321 E CA 1.407 57.822 56.400 0.024 0.000 0.830 321 E CB -0.476 29.248 29.700 0.040 0.000 0.751 321 E HN 0.666 nan 8.360 nan 0.000 0.491 322 T N 0.805 115.354 114.554 -0.008 0.000 2.833 322 T HA -0.168 4.182 4.350 0.001 0.000 0.269 322 T C 1.731 176.376 174.700 -0.092 0.000 1.054 322 T CA 1.096 63.175 62.100 -0.035 0.000 1.135 322 T CB -0.035 68.834 68.868 0.001 0.000 0.869 322 T HN 0.270 nan 8.240 nan 0.000 0.466 323 E N 0.842 121.002 120.200 -0.067 0.000 2.046 323 E HA -0.147 4.204 4.350 0.001 0.000 0.190 323 E C 2.389 178.897 176.600 -0.153 0.000 0.982 323 E CA 0.924 57.266 56.400 -0.098 0.000 0.800 323 E CB 0.101 29.800 29.700 -0.002 0.000 0.756 323 E HN 0.600 nan 8.360 nan 0.000 0.449 324 E N 0.939 121.082 120.200 -0.095 0.000 2.106 324 E HA -0.205 4.146 4.350 0.001 0.000 0.192 324 E C 2.369 178.890 176.600 -0.132 0.000 0.984 324 E CA 0.732 57.076 56.400 -0.094 0.000 0.806 324 E CB -0.577 29.091 29.700 -0.054 0.000 0.750 324 E HN 0.345 nan 8.360 nan 0.000 0.458 325 L N 1.317 122.460 121.223 -0.132 0.000 1.970 325 L HA -0.183 4.157 4.340 0.001 0.000 0.212 325 L C 2.921 179.648 176.870 -0.239 0.000 1.071 325 L CA 1.575 56.324 54.840 -0.151 0.000 0.751 325 L CB -0.767 41.221 42.059 -0.118 0.000 0.889 325 L HN 0.173 nan 8.230 nan 0.000 0.432 326 A N -0.055 122.567 122.820 -0.330 0.000 1.986 326 A HA -0.231 4.090 4.320 0.001 0.000 0.220 326 A C 2.258 179.495 177.584 -0.578 0.000 1.171 326 A CA 2.398 54.113 52.037 -0.536 0.000 0.640 326 A CB -0.978 17.515 19.000 -0.846 0.000 0.811 326 A HN 0.582 nan 8.150 nan 0.000 0.451 327 T N -3.411 110.877 114.554 -0.443 0.000 3.107 327 T HA 0.179 4.530 4.350 0.001 0.000 0.249 327 T C 1.345 175.943 174.700 -0.169 0.000 1.096 327 T CA 0.609 62.532 62.100 -0.295 0.000 1.012 327 T CB -0.035 68.740 68.868 -0.155 0.000 0.977 327 T HN 0.454 nan 8.240 nan 0.000 0.527 328 K N 0.573 120.864 120.400 -0.183 0.000 2.515 328 K HA 0.188 4.508 4.320 0.001 0.000 0.196 328 K C 0.214 176.731 176.600 -0.138 0.000 1.038 328 K CA 0.497 56.703 56.287 -0.136 0.000 0.967 328 K CB -0.187 32.234 32.500 -0.131 0.000 0.780 328 K HN 0.469 nan 8.250 nan 0.000 0.483 329 L N -0.746 120.377 121.223 -0.167 0.000 2.327 329 L HA 0.268 4.608 4.340 0.001 0.000 0.258 329 L C 0.632 177.459 176.870 -0.072 0.000 1.024 329 L CA -0.792 53.962 54.840 -0.144 0.000 0.825 329 L CB 1.750 43.665 42.059 -0.240 0.000 1.386 329 L HN -0.183 nan 8.230 nan 0.000 0.417 330 E N 0.103 120.290 120.200 -0.021 0.000 2.511 330 E HA 0.147 4.498 4.350 0.001 0.000 0.209 330 E C -0.139 176.505 176.600 0.072 0.000 0.986 330 E CA 0.245 56.668 56.400 0.038 0.000 0.974 330 E CB 1.340 31.065 29.700 0.041 0.000 1.030 330 E HN 0.652 nan 8.360 nan 0.000 0.490 331 S N 0.150 115.876 115.700 0.043 0.000 2.661 331 S HA 0.161 4.631 4.470 0.001 0.000 0.268 331 S C 0.174 174.782 174.600 0.013 0.000 1.162 331 S CA -0.435 57.809 58.200 0.073 0.000 0.817 331 S CB 0.560 63.828 63.200 0.112 0.000 1.141 331 S HN -0.034 nan 8.310 nan 0.000 0.477 332 N N 0.197 118.908 118.700 0.020 0.000 2.457 332 N HA 0.053 4.793 4.740 0.001 0.000 0.180 332 N C 0.012 175.568 175.510 0.076 0.000 1.050 332 N CA 0.873 53.904 53.050 -0.032 0.000 0.906 332 N CB -0.846 37.535 38.487 -0.176 0.000 0.968 332 N HN 0.846 nan 8.380 nan 0.000 0.445 333 E N -1.194 119.067 120.200 0.102 0.000 2.476 333 E HA -0.214 4.136 4.350 0.001 0.000 0.251 333 E C 0.634 177.313 176.600 0.131 0.000 1.130 333 E CA 0.238 56.719 56.400 0.136 0.000 0.736 333 E CB -1.908 27.907 29.700 0.191 0.000 1.298 333 E HN 0.647 nan 8.360 nan 0.000 0.400 334 G N -1.434 107.458 108.800 0.153 0.000 2.184 334 G HA2 -0.356 3.605 3.960 0.001 0.000 0.264 334 G HA3 -0.356 3.605 3.960 0.001 0.000 0.264 334 G C 0.358 175.400 174.900 0.237 0.000 0.975 334 G CA 0.207 45.441 45.100 0.222 0.000 0.642 334 G HN 0.395 nan 8.290 nan 0.000 0.536 335 V N 0.731 120.710 119.914 0.108 0.000 2.432 335 V HA 0.657 4.777 4.120 0.001 0.000 0.275 335 V C -0.068 176.013 176.094 -0.021 0.000 1.043 335 V CA -0.437 61.922 62.300 0.097 0.000 0.925 335 V CB 0.842 32.716 31.823 0.085 0.000 0.985 335 V HN 0.251 nan 8.190 nan 0.000 0.466 336 Y N 4.251 124.656 120.300 0.175 0.000 2.512 336 Y HA 0.659 5.210 4.550 0.002 0.000 0.348 336 Y C -0.636 175.456 175.900 0.320 0.000 0.990 336 Y CA -0.904 57.356 58.100 0.267 0.000 1.033 336 Y CB 2.361 40.944 38.460 0.205 0.000 1.259 336 Y HN 0.566 nan 8.280 nan 0.000 0.461 337 F N 3.138 123.315 119.950 0.377 0.000 2.659 337 F HA 0.543 5.070 4.527 0.000 0.000 0.342 337 F C -1.643 174.350 175.800 0.321 0.000 1.168 337 F CA -1.869 56.279 58.000 0.247 0.000 1.003 337 F CB 0.698 39.824 39.000 0.210 0.000 1.267 337 F HN 0.152 nan 8.300 nan 0.000 0.463 338 V N 8.663 128.762 119.914 0.308 0.000 2.339 338 V HA 0.303 4.424 4.120 0.001 0.000 0.261 338 V C -2.024 173.977 176.094 -0.155 0.000 1.058 338 V CA -1.302 60.995 62.300 -0.004 0.000 0.897 338 V CB 0.780 32.437 31.823 -0.276 0.000 1.052 338 V HN 0.500 nan 8.190 nan 0.000 0.480 339 P HA 0.279 nan 4.420 nan 0.000 0.214 339 P C 0.194 177.182 177.300 -0.521 0.000 1.826 339 P CA -0.177 62.435 63.100 -0.812 0.000 0.977 339 P CB 0.470 31.384 31.700 -1.310 0.000 1.930 340 A N 1.197 123.923 122.820 -0.157 0.000 3.074 340 A HA 0.158 4.478 4.320 0.001 0.000 0.251 340 A C 0.963 178.621 177.584 0.123 0.000 1.695 340 A CA -0.284 51.713 52.037 -0.067 0.000 1.343 340 A CB -1.363 17.602 19.000 -0.059 0.000 1.078 340 A HN 0.101 nan 8.150 nan 0.000 0.644 341 F N 0.486 120.393 119.950 -0.072 0.000 2.091 341 F HA -0.154 4.373 4.527 0.000 0.000 0.299 341 F C 1.553 177.342 175.800 -0.019 0.000 1.103 341 F CA 1.808 59.762 58.000 -0.077 0.000 1.228 341 F CB -0.668 38.270 39.000 -0.103 0.000 0.984 341 F HN 0.343 nan 8.300 nan 0.000 0.477 342 V N -1.978 118.067 119.914 0.218 0.000 2.592 342 V HA 0.798 4.918 4.120 0.001 0.000 0.278 342 V C 0.328 176.525 176.094 0.172 0.000 1.087 342 V CA -0.388 62.008 62.300 0.160 0.000 1.282 342 V CB -0.267 31.611 31.823 0.091 0.000 1.543 342 V HN 0.523 nan 8.190 nan 0.000 0.606 343 G N 0.989 109.883 108.800 0.156 0.000 2.603 343 G HA2 -0.021 3.939 3.960 0.001 0.000 0.686 343 G HA3 -0.021 3.939 3.960 0.001 0.000 0.686 343 G C -1.272 173.677 174.900 0.082 0.000 1.286 343 G CA -0.681 44.495 45.100 0.126 0.000 0.871 343 G HN 0.542 nan 8.290 nan 0.000 0.568 344 L N 1.037 122.253 121.223 -0.013 0.000 2.346 344 L HA 0.696 5.037 4.340 0.001 0.000 0.276 344 L C 1.452 178.040 176.870 -0.470 0.000 1.006 344 L CA -0.170 54.566 54.840 -0.174 0.000 0.817 344 L CB 1.773 43.761 42.059 -0.117 0.000 1.272 344 L HN 1.078 nan 8.230 nan 0.000 0.421 345 G N 1.348 109.458 108.800 -1.150 0.000 2.873 345 G HA2 0.474 4.435 3.960 0.001 0.000 0.170 345 G HA3 0.474 4.435 3.960 0.001 0.000 0.170 345 G C -0.030 173.875 174.900 -1.657 0.000 1.608 345 G CA 0.016 43.971 45.100 -1.910 0.000 1.084 345 G HN 0.723 nan 8.290 nan 0.000 0.563 346 A N 0.737 122.586 122.820 -1.618 0.000 2.511 346 A HA 0.473 4.794 4.320 0.001 0.000 0.242 346 A C -1.465 175.741 177.584 -0.631 0.000 1.069 346 A CA -0.478 50.994 52.037 -0.942 0.000 0.763 346 A CB 0.323 19.157 19.000 -0.277 0.000 1.001 346 A HN 0.378 nan 8.150 nan 0.000 0.498 347 P HA 0.191 nan 4.420 nan 0.000 0.266 347 P C -0.306 176.780 177.300 -0.357 0.000 1.561 347 P CA 0.331 63.187 63.100 -0.406 0.000 1.089 347 P CB -0.014 31.509 31.700 -0.295 0.000 1.534 348 Y N -2.104 118.061 120.300 -0.224 0.000 2.441 348 Y HA 0.171 4.721 4.550 -0.000 0.000 0.288 348 Y C 0.629 176.565 175.900 0.059 0.000 1.118 348 Y CA -0.100 57.964 58.100 -0.060 0.000 1.215 348 Y CB -0.883 37.508 38.460 -0.114 0.000 1.118 348 Y HN -0.145 nan 8.280 nan 0.000 0.547 349 W N 1.895 123.260 121.300 0.108 0.000 6.562 349 W HA -0.240 4.419 4.660 -0.000 0.000 0.418 349 W C -0.549 175.989 176.519 0.032 0.000 1.645 349 W CA 0.443 57.832 57.345 0.072 0.000 1.086 349 W CB -1.294 28.221 29.460 0.092 0.000 2.865 349 W HN 0.079 nan 8.180 nan 0.000 1.517 350 D N 0.640 121.110 120.400 0.117 0.000 2.454 350 D HA 0.190 4.831 4.640 0.001 0.000 0.225 350 D C 1.131 177.362 176.300 -0.114 0.000 1.081 350 D CA -0.270 53.719 54.000 -0.018 0.000 0.864 350 D CB 0.905 41.708 40.800 0.005 0.000 1.040 350 D HN 0.364 nan 8.370 nan 0.000 0.517 351 Q N 2.163 121.743 119.800 -0.367 0.000 2.364 351 Q HA -0.085 4.255 4.340 0.001 0.000 0.207 351 Q C 0.614 176.494 176.000 -0.199 0.000 0.970 351 Q CA 1.041 56.646 55.803 -0.329 0.000 0.888 351 Q CB 0.166 28.648 28.738 -0.426 0.000 0.951 351 Q HN 0.554 nan 8.270 nan 0.000 0.469 352 F N -0.344 119.686 119.950 0.132 0.000 2.754 352 F HA 0.286 4.812 4.527 -0.001 0.000 0.297 352 F C 1.041 176.921 175.800 0.134 0.000 1.122 352 F CA -0.787 57.284 58.000 0.117 0.000 1.400 352 F CB -0.649 38.406 39.000 0.092 0.000 1.117 352 F HN -0.188 nan 8.300 nan 0.000 0.587 353 A N 1.950 124.889 122.820 0.199 0.000 2.565 353 A HA 0.336 4.656 4.320 0.001 0.000 0.237 353 A C 0.703 178.388 177.584 0.168 0.000 1.053 353 A CA 0.107 52.224 52.037 0.132 0.000 0.755 353 A CB 0.167 19.159 19.000 -0.014 0.000 0.980 353 A HN 0.131 nan 8.150 nan 0.000 0.506 354 R N 0.822 121.417 120.500 0.159 0.000 2.960 354 R HA 0.627 4.968 4.340 0.001 0.000 0.249 354 R C 0.471 176.772 176.300 0.003 0.000 1.192 354 R CA -0.125 56.046 56.100 0.118 0.000 1.035 354 R CB 1.325 31.748 30.300 0.205 0.000 1.234 354 R HN 0.867 nan 8.270 nan 0.000 0.493 355 G N 0.445 109.271 108.800 0.043 0.000 2.448 355 G HA2 0.579 4.539 3.960 0.001 0.000 0.285 355 G HA3 0.579 4.539 3.960 0.001 0.000 0.285 355 G C -0.204 174.691 174.900 -0.009 0.000 1.176 355 G CA -0.429 44.724 45.100 0.089 0.000 0.852 355 G HN 0.517 nan 8.290 nan 0.000 0.530 356 I N -1.648 118.970 120.570 0.080 0.000 2.752 356 I HA 0.620 4.790 4.170 0.001 0.000 0.295 356 I C -1.200 174.989 176.117 0.120 0.000 1.219 356 I CA -1.195 60.093 61.300 -0.021 0.000 1.030 356 I CB 2.424 40.340 38.000 -0.140 0.000 1.259 356 I HN 0.289 nan 8.210 nan 0.000 0.423 357 I N 6.092 126.654 120.570 -0.013 0.000 2.389 357 I HA 0.568 4.738 4.170 0.001 0.000 0.288 357 I C -0.689 175.425 176.117 -0.004 0.000 0.999 357 I CA -0.566 60.730 61.300 -0.006 0.000 1.129 357 I CB 1.986 39.894 38.000 -0.153 0.000 1.288 357 I HN 0.577 nan 8.210 nan 0.000 0.444 358 I N 4.713 125.316 120.570 0.057 0.000 2.730 358 I HA 0.720 4.891 4.170 0.001 0.000 0.298 358 I C 0.648 176.813 176.117 0.079 0.000 1.089 358 I CA -0.099 61.221 61.300 0.032 0.000 1.041 358 I CB 2.061 40.063 38.000 0.004 0.000 1.235 358 I HN 0.742 nan 8.210 nan 0.000 0.423 359 G N 6.094 114.920 108.800 0.043 0.000 2.148 359 G HA2 -0.172 3.788 3.960 0.001 0.000 0.203 359 G HA3 -0.172 3.788 3.960 0.001 0.000 0.203 359 G C -0.001 174.903 174.900 0.007 0.000 0.993 359 G CA -0.081 45.052 45.100 0.054 0.000 0.661 359 G HN 0.561 nan 8.290 nan 0.000 0.518 360 I N 2.100 122.660 120.570 -0.017 0.000 2.648 360 I HA 0.454 4.625 4.170 0.001 0.000 0.284 360 I C 1.186 177.270 176.117 -0.055 0.000 1.153 360 I CA 0.981 62.250 61.300 -0.051 0.000 1.426 360 I CB 0.862 38.831 38.000 -0.051 0.000 1.381 360 I HN 0.387 nan 8.210 nan 0.000 0.571 361 T N 2.085 116.589 114.554 -0.084 0.000 2.696 361 T HA 0.347 4.698 4.350 0.001 0.000 0.291 361 T C 0.779 175.429 174.700 -0.083 0.000 1.095 361 T CA -0.893 61.165 62.100 -0.070 0.000 1.026 361 T CB 1.752 70.582 68.868 -0.062 0.000 1.390 361 T HN 0.564 nan 8.240 nan 0.000 0.513 362 R N -0.208 120.255 120.500 -0.062 0.000 2.105 362 R HA -0.027 4.313 4.340 0.001 0.000 0.239 362 R C 2.211 178.470 176.300 -0.068 0.000 1.135 362 R CA 1.905 57.973 56.100 -0.053 0.000 0.967 362 R CB -1.021 29.258 30.300 -0.035 0.000 0.861 362 R HN 0.855 nan 8.270 nan 0.000 0.442 363 G N -0.245 108.503 108.800 -0.086 0.000 2.920 363 G HA2 -0.059 3.901 3.960 0.001 0.000 0.208 363 G HA3 -0.059 3.901 3.960 0.001 0.000 0.208 363 G C 0.094 174.852 174.900 -0.238 0.000 1.159 363 G CA -0.059 44.979 45.100 -0.102 0.000 0.784 363 G HN 0.195 nan 8.290 nan 0.000 0.535 364 T N 1.394 115.755 114.554 -0.321 0.000 2.792 364 T HA 0.440 4.790 4.350 0.001 0.000 0.286 364 T C 0.742 175.349 174.700 -0.154 0.000 0.970 364 T CA 0.473 62.303 62.100 -0.450 0.000 1.187 364 T CB 1.273 69.976 68.868 -0.274 0.000 0.915 364 T HN 0.248 nan 8.240 nan 0.000 0.529 365 G N 2.096 110.931 108.800 0.058 0.000 3.013 365 G HA2 0.395 4.355 3.960 0.001 0.000 0.278 365 G HA3 0.395 4.355 3.960 0.001 0.000 0.278 365 G C 0.731 175.698 174.900 0.111 0.000 1.353 365 G CA -0.988 44.179 45.100 0.111 0.000 1.043 365 G HN 0.592 nan 8.290 nan 0.000 0.523 366 R N 0.021 120.543 120.500 0.036 0.000 2.117 366 R HA -0.137 4.204 4.340 0.001 0.000 0.243 366 R C 2.386 178.683 176.300 -0.004 0.000 1.143 366 R CA 1.875 57.974 56.100 -0.002 0.000 0.968 366 R CB -0.097 30.185 30.300 -0.030 0.000 0.863 366 R HN 0.721 nan 8.270 nan 0.000 0.444 367 E N 0.392 120.585 120.200 -0.012 0.000 2.110 367 E HA -0.214 4.136 4.350 0.001 0.000 0.193 367 E C 1.568 178.077 176.600 -0.152 0.000 0.988 367 E CA 1.599 57.930 56.400 -0.115 0.000 0.804 367 E CB -0.529 29.061 29.700 -0.183 0.000 0.745 367 E HN 0.571 nan 8.360 nan 0.000 0.458 368 H N 0.918 119.950 119.070 -0.063 0.000 2.395 368 H HA 0.139 4.696 4.556 0.001 0.000 0.299 368 H C 2.329 177.636 175.328 -0.035 0.000 1.070 368 H CA 1.191 57.205 56.048 -0.056 0.000 1.356 368 H CB -0.040 29.698 29.762 -0.039 0.000 1.401 368 H HN 0.022 nan 8.280 nan 0.000 0.524 369 L N -0.076 121.211 121.223 0.108 0.000 2.017 369 L HA -0.148 4.192 4.340 0.001 0.000 0.208 369 L C 2.720 179.645 176.870 0.091 0.000 1.073 369 L CA 1.113 56.001 54.840 0.080 0.000 0.745 369 L CB -0.841 41.238 42.059 0.033 0.000 0.894 369 L HN 0.349 nan 8.230 nan 0.000 0.432 370 A N 0.646 123.479 122.820 0.021 0.000 1.917 370 A HA -0.286 4.034 4.320 0.001 0.000 0.219 370 A C 2.445 179.995 177.584 -0.057 0.000 1.182 370 A CA 2.247 54.275 52.037 -0.014 0.000 0.633 370 A CB -0.633 18.322 19.000 -0.075 0.000 0.819 370 A HN 0.415 nan 8.150 nan 0.000 0.448 371 R N -0.431 119.995 120.500 -0.125 0.000 2.066 371 R HA 0.010 4.351 4.340 0.001 0.000 0.232 371 R C 2.243 178.474 176.300 -0.115 0.000 1.131 371 R CA 1.565 57.542 56.100 -0.206 0.000 0.955 371 R CB -0.529 29.602 30.300 -0.283 0.000 0.851 371 R HN 0.368 nan 8.270 nan 0.000 0.432 372 A N -0.056 122.759 122.820 -0.008 0.000 1.978 372 A HA -0.134 4.186 4.320 0.001 0.000 0.220 372 A C 2.094 179.805 177.584 0.212 0.000 1.170 372 A CA 2.026 54.123 52.037 0.100 0.000 0.636 372 A CB -0.809 18.309 19.000 0.197 0.000 0.810 372 A HN 0.526 nan 8.150 nan 0.000 0.448 373 T N 0.308 115.012 114.554 0.250 0.000 2.809 373 T HA 0.017 4.368 4.350 0.001 0.000 0.260 373 T C 1.832 176.565 174.700 0.056 0.000 1.039 373 T CA 1.188 63.433 62.100 0.241 0.000 1.141 373 T CB -0.324 68.751 68.868 0.345 0.000 0.869 373 T HN 0.360 nan 8.240 nan 0.000 0.437 374 L N 0.973 122.208 121.223 0.020 0.000 2.017 374 L HA -0.116 4.224 4.340 0.001 0.000 0.208 374 L C 2.737 179.514 176.870 -0.155 0.000 1.073 374 L CA 1.586 56.414 54.840 -0.020 0.000 0.745 374 L CB -0.695 41.408 42.059 0.073 0.000 0.894 374 L HN 0.377 nan 8.230 nan 0.000 0.432 375 E N 0.341 120.367 120.200 -0.289 0.000 2.106 375 E HA -0.167 4.184 4.350 0.001 0.000 0.192 375 E C 2.328 178.573 176.600 -0.592 0.000 0.984 375 E CA 0.958 56.947 56.400 -0.684 0.000 0.806 375 E CB -0.174 28.974 29.700 -0.921 0.000 0.750 375 E HN 0.479 nan 8.360 nan 0.000 0.458 376 A N 2.016 124.717 122.820 -0.199 0.000 1.903 376 A HA -0.248 4.073 4.320 0.001 0.000 0.219 376 A C 2.247 179.651 177.584 -0.300 0.000 1.191 376 A CA 1.538 53.468 52.037 -0.178 0.000 0.638 376 A CB -0.875 18.164 19.000 0.065 0.000 0.823 376 A HN 0.179 nan 8.150 nan 0.000 0.451 377 I N -0.441 120.022 120.570 -0.180 0.000 2.194 377 I HA -0.340 3.831 4.170 0.001 0.000 0.246 377 I C 2.934 178.995 176.117 -0.093 0.000 1.093 377 I CA 1.333 62.577 61.300 -0.094 0.000 1.355 377 I CB -0.480 37.524 38.000 0.008 0.000 1.046 377 I HN 0.394 nan 8.210 nan 0.000 0.413 378 A N 0.161 122.876 122.820 -0.174 0.000 1.929 378 A HA -0.182 4.138 4.320 0.001 0.000 0.216 378 A C 2.088 179.519 177.584 -0.256 0.000 1.176 378 A CA 1.271 53.209 52.037 -0.165 0.000 0.628 378 A CB -0.812 18.156 19.000 -0.053 0.000 0.816 378 A HN 0.392 nan 8.150 nan 0.000 0.444 379 Y N -0.278 119.796 120.300 -0.376 0.000 2.242 379 Y HA -0.086 4.465 4.550 0.002 0.000 0.291 379 Y C 2.163 177.786 175.900 -0.463 0.000 1.137 379 Y CA 0.470 58.147 58.100 -0.704 0.000 1.181 379 Y CB -0.523 36.773 38.460 -1.939 0.000 0.989 379 Y HN 0.123 nan 8.280 nan 0.000 0.527 380 L N -0.480 120.598 121.223 -0.242 0.000 2.083 380 L HA -0.173 4.167 4.340 0.001 0.000 0.209 380 L C 2.192 179.044 176.870 -0.031 0.000 1.083 380 L CA 1.856 56.710 54.840 0.024 0.000 0.752 380 L CB -1.802 40.249 42.059 -0.014 0.000 0.899 380 L HN 0.241 nan 8.230 nan 0.000 0.433 381 T N -0.852 113.644 114.554 -0.097 0.000 2.746 381 T HA -0.229 4.122 4.350 0.001 0.000 0.267 381 T C 2.060 176.713 174.700 -0.078 0.000 1.039 381 T CA 1.458 63.490 62.100 -0.114 0.000 1.142 381 T CB -0.090 68.714 68.868 -0.107 0.000 0.866 381 T HN 0.253 nan 8.240 nan 0.000 0.444 382 R N 0.917 121.378 120.500 -0.066 0.000 2.075 382 R HA -0.131 4.210 4.340 0.001 0.000 0.232 382 R C 1.918 178.227 176.300 0.014 0.000 1.126 382 R CA 1.735 57.783 56.100 -0.087 0.000 0.963 382 R CB -0.306 29.858 30.300 -0.227 0.000 0.858 382 R HN 0.250 nan 8.270 nan 0.000 0.435 383 D N 0.036 120.544 120.400 0.180 0.000 2.170 383 D HA -0.182 4.458 4.640 0.001 0.000 0.193 383 D C 1.872 178.179 176.300 0.011 0.000 1.004 383 D CA 1.534 55.660 54.000 0.209 0.000 0.860 383 D CB -0.192 40.762 40.800 0.257 0.000 0.931 383 D HN 0.149 nan 8.370 nan 0.000 0.448 384 V N 0.294 120.185 119.914 -0.038 0.000 2.379 384 V HA -0.147 3.973 4.120 0.001 0.000 0.245 384 V C 2.600 178.670 176.094 -0.041 0.000 1.044 384 V CA 0.811 63.070 62.300 -0.069 0.000 1.036 384 V CB -0.204 31.562 31.823 -0.095 0.000 0.664 384 V HN 0.053 nan 8.190 nan 0.000 0.453 385 V N 0.213 120.100 119.914 -0.045 0.000 2.427 385 V HA -0.209 3.911 4.120 0.001 0.000 0.248 385 V C 2.219 178.292 176.094 -0.034 0.000 1.051 385 V CA 1.993 64.267 62.300 -0.044 0.000 1.048 385 V CB -0.649 31.137 31.823 -0.062 0.000 0.666 385 V HN 0.538 nan 8.190 nan 0.000 0.456 386 D N -0.284 120.098 120.400 -0.029 0.000 2.178 386 D HA -0.179 4.462 4.640 0.001 0.000 0.201 386 D C 2.148 178.454 176.300 0.010 0.000 0.980 386 D CA 1.207 55.203 54.000 -0.006 0.000 0.842 386 D CB -0.073 40.746 40.800 0.031 0.000 0.948 386 D HN 0.474 nan 8.370 nan 0.000 0.472 387 E N -0.014 120.189 120.200 0.004 0.000 2.072 387 E HA -0.059 4.292 4.350 0.001 0.000 0.191 387 E C 2.086 178.693 176.600 0.012 0.000 0.985 387 E CA 0.644 57.048 56.400 0.006 0.000 0.801 387 E CB -0.099 29.594 29.700 -0.012 0.000 0.750 387 E HN 0.187 nan 8.360 nan 0.000 0.452 388 M N 0.354 119.958 119.600 0.006 0.000 2.108 388 M HA -0.215 4.265 4.480 0.001 0.000 0.257 388 M C 1.894 178.194 176.300 -0.001 0.000 1.071 388 M CA 1.578 56.880 55.300 0.004 0.000 1.093 388 M CB -0.231 32.367 32.600 -0.004 0.000 1.345 388 M HN 0.099 nan 8.290 nan 0.000 0.403 389 E N 0.240 120.437 120.200 -0.005 0.000 2.338 389 E HA -0.136 4.215 4.350 0.001 0.000 0.197 389 E C 1.583 178.184 176.600 0.001 0.000 1.007 389 E CA 0.819 57.215 56.400 -0.006 0.000 0.849 389 E CB -0.163 29.530 29.700 -0.012 0.000 0.774 389 E HN 0.545 nan 8.360 nan 0.000 0.506 390 K N 0.464 120.870 120.400 0.009 0.000 2.520 390 K HA -0.119 4.201 4.320 0.001 0.000 0.197 390 K C 1.894 178.499 176.600 0.010 0.000 1.043 390 K CA 0.798 57.093 56.287 0.014 0.000 0.944 390 K CB -0.020 32.493 32.500 0.022 0.000 0.770 390 K HN 0.175 nan 8.250 nan 0.000 0.480 391 L N -5.757 115.468 121.223 0.003 0.000 3.503 391 L HA 0.360 4.700 4.340 0.001 0.000 0.327 391 L C -0.108 176.753 176.870 -0.015 0.000 1.108 391 L CA -0.707 54.131 54.840 -0.003 0.000 1.214 391 L CB 0.983 43.042 42.059 0.001 0.000 1.806 391 L HN -0.192 nan 8.230 nan 0.000 0.610 392 V N 0.969 120.875 119.914 -0.014 0.000 2.932 392 V HA 0.360 4.480 4.120 0.001 0.000 0.307 392 V C -1.238 174.845 176.094 -0.019 0.000 1.147 392 V CA -0.266 62.021 62.300 -0.021 0.000 0.951 392 V CB 2.373 34.180 31.823 -0.027 0.000 1.031 392 V HN 0.358 nan 8.190 nan 0.000 0.426 393 Q N 4.855 124.642 119.800 -0.021 0.000 2.313 393 Q HA 0.342 4.682 4.340 0.001 0.000 0.266 393 Q C -1.136 174.850 176.000 -0.024 0.000 0.989 393 Q CA -0.143 55.647 55.803 -0.021 0.000 0.890 393 Q CB 0.816 29.542 28.738 -0.021 0.000 1.200 393 Q HN 0.624 nan 8.270 nan 0.000 0.396 394 I N 5.333 125.888 120.570 -0.025 0.000 2.437 394 I HA 0.147 4.317 4.170 0.001 0.000 0.279 394 I C 0.773 176.872 176.117 -0.029 0.000 1.028 394 I CA -0.318 60.966 61.300 -0.027 0.000 1.142 394 I CB 1.035 39.017 38.000 -0.029 0.000 1.266 394 I HN 0.754 nan 8.210 nan 0.000 0.461 395 K N 4.379 124.763 120.400 -0.028 0.000 1.973 395 K HA -0.075 4.245 4.320 0.001 0.000 0.212 395 K C 0.548 177.135 176.600 -0.022 0.000 1.047 395 K CA 1.454 57.726 56.287 -0.025 0.000 0.937 395 K CB 0.506 32.991 32.500 -0.026 0.000 0.721 395 K HN 0.786 nan 8.250 nan 0.000 0.440 396 E N -0.863 119.324 120.200 -0.021 0.000 2.445 396 E HA 0.384 4.734 4.350 0.001 0.000 0.279 396 E C -1.263 175.332 176.600 -0.007 0.000 1.018 396 E CA -0.737 55.657 56.400 -0.009 0.000 0.816 396 E CB 1.204 30.904 29.700 0.001 0.000 1.356 396 E HN -0.078 nan 8.360 nan 0.000 0.462 397 L N 1.345 122.577 121.223 0.014 0.000 2.356 397 L HA 0.545 4.885 4.340 0.001 0.000 0.277 397 L C -0.433 176.476 176.870 0.065 0.000 0.996 397 L CA -0.875 53.981 54.840 0.027 0.000 0.822 397 L CB 1.858 43.939 42.059 0.036 0.000 1.256 397 L HN 0.548 nan 8.230 nan 0.000 0.413 398 R N 1.750 122.284 120.500 0.058 0.000 2.459 398 R HA 0.616 4.957 4.340 0.001 0.000 0.281 398 R C -0.728 175.665 176.300 0.155 0.000 1.050 398 R CA -0.300 55.875 56.100 0.125 0.000 1.055 398 R CB 1.718 32.053 30.300 0.058 0.000 1.045 398 R HN 0.450 nan 8.270 nan 0.000 0.495 399 V N -1.355 118.682 119.914 0.205 0.000 3.040 399 V HA 0.808 4.929 4.120 0.001 0.000 0.312 399 V C -1.322 174.907 176.094 0.225 0.000 1.115 399 V CA -0.937 61.507 62.300 0.239 0.000 0.998 399 V CB 2.360 34.340 31.823 0.261 0.000 1.042 399 V HN 0.981 nan 8.190 nan 0.000 0.433 400 D N -0.432 120.125 120.400 0.262 0.000 2.653 400 D HA 0.789 5.430 4.640 0.001 0.000 0.258 400 D C -0.234 176.206 176.300 0.234 0.000 1.252 400 D CA 0.086 54.208 54.000 0.203 0.000 0.777 400 D CB 1.471 42.375 40.800 0.172 0.000 1.339 400 D HN 1.965 nan 8.370 nan 0.000 0.422 401 G N -1.427 107.474 108.800 0.168 0.000 2.484 401 G HA2 0.403 4.364 3.960 0.001 0.000 0.685 401 G HA3 0.403 4.364 3.960 0.001 0.000 0.685 401 G C 0.715 175.678 174.900 0.104 0.000 1.294 401 G CA -0.064 45.134 45.100 0.164 0.000 0.879 401 G HN 1.186 nan 8.290 nan 0.000 0.646 402 G N 0.193 109.047 108.800 0.091 0.000 2.469 402 G HA2 0.169 4.129 3.960 0.001 0.000 0.219 402 G HA3 0.169 4.129 3.960 0.001 0.000 0.219 402 G C 2.144 177.056 174.900 0.020 0.000 1.150 402 G CA 2.788 47.921 45.100 0.054 0.000 0.763 402 G HN 2.093 nan 8.290 nan 0.000 0.561 403 A N 0.715 123.541 122.820 0.011 0.000 2.070 403 A HA -0.007 4.313 4.320 0.001 0.000 0.220 403 A C 2.529 179.997 177.584 -0.192 0.000 1.159 403 A CA 2.386 54.376 52.037 -0.077 0.000 0.656 403 A CB -0.959 17.992 19.000 -0.082 0.000 0.800 403 A HN 0.615 nan 8.150 nan 0.000 0.453 404 T N -3.089 111.365 114.554 -0.168 0.000 3.098 404 T HA 0.217 4.567 4.350 0.001 0.000 0.266 404 T C 1.422 176.070 174.700 -0.086 0.000 1.145 404 T CA 1.148 63.133 62.100 -0.191 0.000 1.092 404 T CB -0.257 68.558 68.868 -0.088 0.000 0.908 404 T HN 0.516 nan 8.240 nan 0.000 0.526 405 A N 1.278 124.074 122.820 -0.040 0.000 2.218 405 A HA 0.228 4.548 4.320 0.001 0.000 0.209 405 A C 1.232 178.822 177.584 0.011 0.000 1.168 405 A CA -0.245 51.796 52.037 0.007 0.000 0.804 405 A CB -0.285 18.721 19.000 0.010 0.000 0.834 405 A HN 0.485 nan 8.150 nan 0.000 0.482 406 N N 0.916 119.599 118.700 -0.029 0.000 2.437 406 N HA 0.065 4.805 4.740 0.001 0.000 0.243 406 N C -0.622 174.875 175.510 -0.022 0.000 1.041 406 N CA -0.110 52.936 53.050 -0.006 0.000 0.940 406 N CB 0.767 39.241 38.487 -0.022 0.000 1.133 406 N HN 0.136 nan 8.380 nan 0.000 0.506 407 D N 2.659 123.100 120.400 0.068 0.000 2.162 407 D HA -0.121 4.520 4.640 0.001 0.000 0.203 407 D C 1.411 177.738 176.300 0.045 0.000 0.967 407 D CA 0.608 54.684 54.000 0.126 0.000 0.840 407 D CB -0.109 40.830 40.800 0.231 0.000 0.972 407 D HN 0.562 nan 8.370 nan 0.000 0.482 408 F N 1.824 121.768 119.950 -0.010 0.000 2.065 408 F HA -0.248 4.279 4.527 0.001 0.000 0.298 408 F C 2.090 177.852 175.800 -0.064 0.000 1.112 408 F CA 1.104 59.090 58.000 -0.023 0.000 1.212 408 F CB -0.382 38.592 39.000 -0.043 0.000 0.975 408 F HN -0.077 nan 8.300 nan 0.000 0.476 409 L N 0.154 121.298 121.223 -0.133 0.000 2.017 409 L HA -0.224 4.116 4.340 0.001 0.000 0.208 409 L C 2.167 178.797 176.870 -0.400 0.000 1.073 409 L CA 1.869 56.565 54.840 -0.240 0.000 0.745 409 L CB -0.883 41.089 42.059 -0.144 0.000 0.894 409 L HN 0.183 nan 8.230 nan 0.000 0.432 410 M N -1.113 118.182 119.600 -0.509 0.000 2.117 410 M HA -0.181 4.299 4.480 0.001 0.000 0.262 410 M C 2.345 178.151 176.300 -0.822 0.000 1.065 410 M CA 1.610 56.409 55.300 -0.834 0.000 1.114 410 M CB -1.195 30.605 32.600 -1.334 0.000 1.361 410 M HN 0.398 nan 8.290 nan 0.000 0.408 411 Q N -0.206 119.242 119.800 -0.586 0.000 2.172 411 Q HA -0.098 4.243 4.340 0.001 0.000 0.200 411 Q C 1.835 177.645 176.000 -0.316 0.000 0.964 411 Q CA 1.402 57.044 55.803 -0.268 0.000 0.855 411 Q CB -0.451 28.246 28.738 -0.069 0.000 0.918 411 Q HN 0.413 nan 8.270 nan 0.000 0.444 412 F N 0.333 119.920 119.950 -0.605 0.000 2.186 412 F HA -0.150 4.377 4.527 0.000 0.000 0.299 412 F C 2.221 177.783 175.800 -0.397 0.000 1.090 412 F CA 1.618 59.281 58.000 -0.561 0.000 1.307 412 F CB -0.179 38.315 39.000 -0.843 0.000 1.019 412 F HN 0.166 nan 8.300 nan 0.000 0.489 413 Q N 0.810 120.443 119.800 -0.278 0.000 2.045 413 Q HA -0.233 4.107 4.340 0.001 0.000 0.206 413 Q C 2.200 178.042 176.000 -0.263 0.000 0.991 413 Q CA 2.589 58.243 55.803 -0.248 0.000 0.851 413 Q CB -0.725 27.903 28.738 -0.185 0.000 0.911 413 Q HN 0.454 nan 8.270 nan 0.000 0.418 414 A N 0.019 122.695 122.820 -0.240 0.000 1.897 414 A HA -0.164 4.156 4.320 0.001 0.000 0.215 414 A C 1.828 179.288 177.584 -0.207 0.000 1.181 414 A CA 1.586 53.526 52.037 -0.162 0.000 0.620 414 A CB -0.737 18.219 19.000 -0.072 0.000 0.821 414 A HN 0.476 nan 8.150 nan 0.000 0.443 415 D N 0.551 120.778 120.400 -0.287 0.000 2.087 415 D HA -0.184 4.457 4.640 0.001 0.000 0.192 415 D C 1.768 177.830 176.300 -0.396 0.000 0.993 415 D CA 2.004 55.803 54.000 -0.336 0.000 0.828 415 D CB -0.508 40.024 40.800 -0.447 0.000 0.968 415 D HN 0.596 nan 8.370 nan 0.000 0.448 416 I N -1.200 119.023 120.570 -0.579 0.000 2.676 416 I HA -0.077 4.093 4.170 0.001 0.000 0.259 416 I C 1.871 177.808 176.117 -0.300 0.000 1.194 416 I CA 0.730 61.770 61.300 -0.432 0.000 1.473 416 I CB -0.498 37.267 38.000 -0.391 0.000 1.096 416 I HN -0.117 nan 8.210 nan 0.000 0.443 417 L N 1.062 122.126 121.223 -0.265 0.000 2.240 417 L HA 0.059 4.400 4.340 0.001 0.000 0.211 417 L C 1.117 177.897 176.870 -0.150 0.000 1.106 417 L CA 0.790 55.513 54.840 -0.196 0.000 0.793 417 L CB -1.399 40.567 42.059 -0.154 0.000 0.927 417 L HN 0.626 nan 8.230 nan 0.000 0.446 418 N N 0.192 118.807 118.700 -0.143 0.000 2.740 418 N HA -0.232 4.508 4.740 0.001 0.000 0.248 418 N C -0.152 175.314 175.510 -0.073 0.000 1.062 418 N CA 0.205 53.197 53.050 -0.098 0.000 0.704 418 N CB -0.267 38.170 38.487 -0.082 0.000 0.968 418 N HN 0.316 nan 8.380 nan 0.000 0.547 419 R N 0.237 120.694 120.500 -0.071 0.000 2.698 419 R HA 0.306 4.647 4.340 0.001 0.000 0.275 419 R C -0.766 175.520 176.300 -0.024 0.000 1.001 419 R CA -0.799 55.275 56.100 -0.044 0.000 0.896 419 R CB 1.293 31.566 30.300 -0.046 0.000 1.218 419 R HN 0.073 nan 8.270 nan 0.000 0.462 420 K N 1.049 121.451 120.400 0.003 0.000 2.489 420 K HA 0.140 4.461 4.320 0.001 0.000 0.278 420 K C -0.574 176.059 176.600 0.055 0.000 1.000 420 K CA 0.139 56.450 56.287 0.040 0.000 1.012 420 K CB 0.697 33.226 32.500 0.048 0.000 0.903 420 K HN 0.104 nan 8.250 nan 0.000 0.485 421 V N 5.416 125.390 119.914 0.100 0.000 2.407 421 V HA 0.313 4.434 4.120 0.001 0.000 0.291 421 V C -0.628 175.594 176.094 0.213 0.000 1.018 421 V CA -0.755 61.605 62.300 0.099 0.000 0.842 421 V CB 1.132 32.945 31.823 -0.017 0.000 0.996 421 V HN 0.533 nan 8.190 nan 0.000 0.426 422 I N 6.283 126.974 120.570 0.200 0.000 2.382 422 I HA 0.537 4.707 4.170 0.001 0.000 0.286 422 I C 0.269 176.540 176.117 0.258 0.000 1.002 422 I CA -0.410 61.039 61.300 0.248 0.000 1.135 422 I CB 1.550 39.718 38.000 0.279 0.000 1.288 422 I HN 0.607 nan 8.210 nan 0.000 0.448 423 R N 7.119 127.757 120.500 0.230 0.000 2.428 423 R HA 0.700 5.041 4.340 0.001 0.000 0.294 423 R C -2.837 173.495 176.300 0.054 0.000 1.000 423 R CA -1.675 54.526 56.100 0.167 0.000 0.960 423 R CB 0.974 31.367 30.300 0.155 0.000 1.076 423 R HN 0.241 nan 8.270 nan 0.000 0.475 424 P HA 0.109 nan 4.420 nan 0.000 0.286 424 P C 0.510 177.691 177.300 -0.198 0.000 1.292 424 P CA -0.750 62.187 63.100 -0.271 0.000 0.842 424 P CB 1.336 32.868 31.700 -0.281 0.000 1.207 425 V N 0.198 119.941 119.914 -0.284 0.000 2.295 425 V HA -0.119 4.002 4.120 0.001 0.000 0.246 425 V C 1.316 177.364 176.094 -0.078 0.000 1.049 425 V CA 1.472 63.678 62.300 -0.157 0.000 1.024 425 V CB -0.660 31.069 31.823 -0.158 0.000 0.648 425 V HN 0.287 nan 8.190 nan 0.000 0.447 426 V N 1.299 121.170 119.914 -0.073 0.000 2.585 426 V HA 0.076 4.196 4.120 0.001 0.000 0.296 426 V C 1.226 177.350 176.094 0.050 0.000 1.035 426 V CA 0.110 62.426 62.300 0.028 0.000 1.084 426 V CB 0.880 32.742 31.823 0.064 0.000 0.953 426 V HN 0.331 nan 8.190 nan 0.000 0.483 427 K N 2.237 122.685 120.400 0.079 0.000 2.108 427 K HA 0.111 4.432 4.320 0.001 0.000 0.204 427 K C 1.115 177.781 176.600 0.110 0.000 1.036 427 K CA 0.608 56.944 56.287 0.081 0.000 0.965 427 K CB -0.075 32.462 32.500 0.061 0.000 0.804 427 K HN 0.589 nan 8.250 nan 0.000 0.454 428 E N 2.248 122.534 120.200 0.143 0.000 3.057 428 E HA -0.021 4.329 4.350 0.001 0.000 0.314 428 E C 0.623 177.319 176.600 0.159 0.000 1.433 428 E CA 0.169 56.676 56.400 0.179 0.000 1.546 428 E CB -0.647 29.202 29.700 0.247 0.000 1.224 428 E HN 0.124 nan 8.360 nan 0.000 0.483 429 T N 0.334 114.952 114.554 0.107 0.000 2.778 429 T HA -0.160 4.191 4.350 0.001 0.000 0.269 429 T C 1.684 176.411 174.700 0.044 0.000 1.050 429 T CA 1.831 63.970 62.100 0.065 0.000 1.137 429 T CB 0.188 69.123 68.868 0.111 0.000 0.860 429 T HN 0.339 nan 8.240 nan 0.000 0.468 430 T N 1.309 115.911 114.554 0.080 0.000 2.770 430 T HA 0.106 4.456 4.350 0.001 0.000 0.263 430 T C 2.327 177.062 174.700 0.059 0.000 1.039 430 T CA 1.002 63.147 62.100 0.073 0.000 1.142 430 T CB -0.517 68.403 68.868 0.087 0.000 0.868 430 T HN 0.412 nan 8.240 nan 0.000 0.435 431 A N 1.532 124.416 122.820 0.106 0.000 1.883 431 A HA -0.021 4.300 4.320 0.001 0.000 0.217 431 A C 2.294 179.861 177.584 -0.027 0.000 1.186 431 A CA 1.230 53.363 52.037 0.161 0.000 0.624 431 A CB -1.013 18.188 19.000 0.336 0.000 0.822 431 A HN 0.452 nan 8.150 nan 0.000 0.444 432 L N -0.741 120.315 121.223 -0.278 0.000 2.131 432 L HA -0.138 4.202 4.340 0.001 0.000 0.210 432 L C 2.525 178.952 176.870 -0.738 0.000 1.092 432 L CA 1.426 55.703 54.840 -0.939 0.000 0.759 432 L CB -0.726 40.822 42.059 -0.851 0.000 0.903 432 L HN 0.518 nan 8.230 nan 0.000 0.435 433 G N -0.965 107.670 108.800 -0.275 0.000 2.404 433 G HA2 -0.241 3.719 3.960 0.001 0.000 0.215 433 G HA3 -0.241 3.719 3.960 0.001 0.000 0.215 433 G C 1.671 176.559 174.900 -0.019 0.000 1.174 433 G CA 0.666 45.769 45.100 0.005 0.000 0.780 433 G HN 0.511 nan 8.290 nan 0.000 0.537 434 A N 1.140 123.933 122.820 -0.046 0.000 1.933 434 A HA 0.299 4.619 4.320 0.001 0.000 0.218 434 A C 2.784 180.366 177.584 -0.002 0.000 1.175 434 A CA 2.109 54.133 52.037 -0.022 0.000 0.628 434 A CB -0.692 18.323 19.000 0.025 0.000 0.814 434 A HN 0.744 nan 8.150 nan 0.000 0.444 435 A N -1.310 121.477 122.820 -0.055 0.000 1.902 435 A HA -0.090 4.231 4.320 0.001 0.000 0.217 435 A C 2.054 179.736 177.584 0.163 0.000 1.181 435 A CA 1.602 53.649 52.037 0.017 0.000 0.623 435 A CB -0.728 18.171 19.000 -0.169 0.000 0.818 435 A HN 0.546 nan 8.150 nan 0.000 0.443 436 Y N -1.092 119.166 120.300 -0.071 0.000 2.373 436 Y HA -0.013 4.537 4.550 0.001 0.000 0.293 436 Y C 2.132 178.068 175.900 0.061 0.000 1.129 436 Y CA 0.196 58.216 58.100 -0.133 0.000 1.226 436 Y CB -0.456 37.969 38.460 -0.060 0.000 1.000 436 Y HN 0.181 nan 8.280 nan 0.000 0.549 437 L N -0.638 120.643 121.223 0.096 0.000 2.072 437 L HA -0.056 4.284 4.340 0.001 0.000 0.205 437 L C 2.439 179.315 176.870 0.011 0.000 1.079 437 L CA 1.717 56.481 54.840 -0.126 0.000 0.752 437 L CB -1.557 40.321 42.059 -0.301 0.000 0.906 437 L HN 0.140 nan 8.230 nan 0.000 0.436 438 A N -0.553 122.308 122.820 0.068 0.000 1.835 438 A HA -0.096 4.224 4.320 0.001 0.000 0.215 438 A C 2.401 180.077 177.584 0.152 0.000 1.199 438 A CA 1.745 53.827 52.037 0.074 0.000 0.615 438 A CB -1.505 17.538 19.000 0.071 0.000 0.838 438 A HN 0.425 nan 8.150 nan 0.000 0.444 439 G N -0.166 108.819 108.800 0.309 0.000 2.556 439 G HA2 -0.291 3.670 3.960 0.001 0.000 0.220 439 G HA3 -0.291 3.670 3.960 0.001 0.000 0.220 439 G C 1.396 176.568 174.900 0.453 0.000 1.156 439 G CA 1.475 46.849 45.100 0.456 0.000 0.766 439 G HN 0.349 nan 8.290 nan 0.000 0.583 440 L N 1.260 122.736 121.223 0.422 0.000 2.079 440 L HA 0.028 4.368 4.340 0.001 0.000 0.210 440 L C 3.178 180.122 176.870 0.123 0.000 1.081 440 L CA 1.700 56.690 54.840 0.249 0.000 0.752 440 L CB -1.122 41.021 42.059 0.140 0.000 0.896 440 L HN 0.334 nan 8.230 nan 0.000 0.433 441 A N -1.245 121.617 122.820 0.070 0.000 2.168 441 A HA 0.026 4.346 4.320 0.001 0.000 0.215 441 A C 1.429 179.013 177.584 0.001 0.000 1.152 441 A CA 1.167 53.204 52.037 -0.000 0.000 0.716 441 A CB -0.409 18.536 19.000 -0.091 0.000 0.794 441 A HN 0.330 nan 8.150 nan 0.000 0.465 442 V N -4.632 115.310 119.914 0.046 0.000 2.909 442 V HA 0.371 4.491 4.120 0.001 0.000 0.362 442 V C -0.080 176.054 176.094 0.067 0.000 1.356 442 V CA 0.386 62.713 62.300 0.046 0.000 1.195 442 V CB -0.775 31.074 31.823 0.044 0.000 1.256 442 V HN 0.374 nan 8.190 nan 0.000 0.567 443 D N -0.888 119.556 120.400 0.073 0.000 3.067 443 D HA -0.334 4.306 4.640 0.001 0.000 0.216 443 D C 0.719 177.032 176.300 0.021 0.000 1.162 443 D CA 1.539 55.570 54.000 0.052 0.000 0.960 443 D CB -1.416 39.390 40.800 0.009 0.000 1.129 443 D HN 0.748 nan 8.370 nan 0.000 0.408 444 Y N -0.390 119.857 120.300 -0.088 0.000 2.193 444 Y HA -0.139 4.411 4.550 0.001 0.000 0.285 444 Y C 0.652 176.309 175.900 -0.405 0.000 1.166 444 Y CA 1.621 59.543 58.100 -0.298 0.000 1.181 444 Y CB 0.243 38.471 38.460 -0.387 0.000 0.976 444 Y HN 0.104 nan 8.280 nan 0.000 0.520 445 W N -2.264 119.138 121.300 0.170 0.000 2.799 445 W HA 0.505 5.165 4.660 0.001 0.000 0.349 445 W C 0.770 177.286 176.519 -0.005 0.000 1.100 445 W CA -0.453 56.920 57.345 0.046 0.000 1.174 445 W CB 1.295 30.792 29.460 0.062 0.000 1.427 445 W HN -0.144 nan 8.180 nan 0.000 0.547 446 A N 0.830 123.760 122.820 0.183 0.000 1.911 446 A HA 0.065 4.385 4.320 0.001 0.000 0.212 446 A C 0.047 177.654 177.584 0.040 0.000 1.189 446 A CA 1.838 53.919 52.037 0.073 0.000 0.639 446 A CB -0.220 18.800 19.000 0.033 0.000 0.839 446 A HN 0.678 nan 8.150 nan 0.000 0.449 447 D N -5.053 115.354 120.400 0.011 0.000 2.779 447 D HA 0.284 4.924 4.640 0.001 0.000 0.331 447 D C 0.276 176.458 176.300 -0.196 0.000 1.331 447 D CA 0.158 54.110 54.000 -0.079 0.000 0.866 447 D CB 0.180 40.935 40.800 -0.074 0.000 1.409 447 D HN -0.038 nan 8.370 nan 0.000 0.486 448 T N -3.017 111.334 114.554 -0.338 0.000 3.081 448 T HA 0.005 4.356 4.350 0.001 0.000 0.255 448 T C 1.604 176.079 174.700 -0.374 0.000 1.113 448 T CA 0.689 62.419 62.100 -0.616 0.000 1.082 448 T CB -0.118 68.020 68.868 -1.216 0.000 0.939 448 T HN 0.488 nan 8.240 nan 0.000 0.506 449 R N 1.438 121.813 120.500 -0.209 0.000 2.091 449 R HA -0.112 4.229 4.340 0.001 0.000 0.238 449 R C 2.409 178.667 176.300 -0.069 0.000 1.136 449 R CA 1.746 57.788 56.100 -0.097 0.000 0.959 449 R CB -0.300 29.962 30.300 -0.065 0.000 0.856 449 R HN 0.625 nan 8.270 nan 0.000 0.437 450 E N 0.524 120.677 120.200 -0.079 0.000 2.007 450 E HA -0.201 4.150 4.350 0.001 0.000 0.194 450 E C 2.089 178.645 176.600 -0.074 0.000 0.999 450 E CA 1.670 58.051 56.400 -0.031 0.000 0.811 450 E CB -0.173 29.544 29.700 0.028 0.000 0.762 450 E HN 0.430 nan 8.360 nan 0.000 0.450 451 I N 1.379 121.802 120.570 -0.246 0.000 2.185 451 I HA -0.365 3.806 4.170 0.001 0.000 0.246 451 I C 2.649 178.641 176.117 -0.207 0.000 1.088 451 I CA 1.314 62.318 61.300 -0.495 0.000 1.347 451 I CB -0.447 36.994 38.000 -0.933 0.000 1.041 451 I HN 0.241 nan 8.210 nan 0.000 0.415 452 A N 0.655 123.461 122.820 -0.024 0.000 1.917 452 A HA -0.296 4.024 4.320 0.001 0.000 0.219 452 A C 2.325 179.958 177.584 0.080 0.000 1.182 452 A CA 2.132 54.211 52.037 0.070 0.000 0.633 452 A CB -0.790 18.280 19.000 0.117 0.000 0.819 452 A HN 0.628 nan 8.150 nan 0.000 0.448 453 E N -0.191 120.045 120.200 0.059 0.000 2.331 453 E HA -0.186 4.164 4.350 0.001 0.000 0.199 453 E C 1.199 177.864 176.600 0.109 0.000 1.008 453 E CA 1.137 57.586 56.400 0.081 0.000 0.843 453 E CB -0.246 29.487 29.700 0.055 0.000 0.761 453 E HN 0.413 nan 8.360 nan 0.000 0.507 454 L N 0.059 121.347 121.223 0.107 0.000 2.610 454 L HA 0.111 4.451 4.340 0.001 0.000 0.232 454 L C 0.552 177.526 176.870 0.173 0.000 1.149 454 L CA 0.593 55.518 54.840 0.141 0.000 0.872 454 L CB -0.687 41.467 42.059 0.157 0.000 0.992 454 L HN 0.252 nan 8.230 nan 0.000 0.447 455 W N 2.032 123.337 121.300 0.009 0.000 2.390 455 W HA 0.472 5.133 4.660 0.001 0.000 0.312 455 W C 0.077 176.599 176.519 0.005 0.000 1.123 455 W CA -0.908 56.439 57.345 0.002 0.000 1.202 455 W CB 0.648 30.076 29.460 -0.054 0.000 1.251 455 W HN 0.023 nan 8.180 nan 0.000 0.511 456 K N 4.904 124.799 120.400 -0.842 0.000 2.443 456 K HA 0.782 5.102 4.320 0.001 0.000 0.252 456 K C -0.782 175.118 176.600 -1.168 0.000 0.933 456 K CA -1.022 54.794 56.287 -0.785 0.000 0.792 456 K CB 1.651 33.976 32.500 -0.292 0.000 1.185 456 K HN 0.483 nan 8.250 nan 0.000 0.425 457 A N 2.765 125.025 122.820 -0.934 0.000 2.526 457 A HA -0.056 4.265 4.320 0.001 0.000 0.267 457 A C 1.035 178.446 177.584 -0.288 0.000 1.095 457 A CA 0.120 51.874 52.037 -0.471 0.000 0.775 457 A CB -0.117 18.825 19.000 -0.096 0.000 1.036 457 A HN 1.046 nan 8.150 nan 0.000 0.510 458 E N 2.611 122.667 120.200 -0.239 0.000 2.033 458 E HA -0.067 4.284 4.350 0.001 0.000 0.189 458 E C 0.837 177.369 176.600 -0.113 0.000 0.979 458 E CA 0.933 57.245 56.400 -0.146 0.000 0.802 458 E CB 0.129 29.764 29.700 -0.109 0.000 0.763 458 E HN 0.774 nan 8.360 nan 0.000 0.449 459 R N -0.427 120.019 120.500 -0.091 0.000 2.707 459 R HA 0.475 4.816 4.340 0.001 0.000 0.272 459 R C -1.736 174.498 176.300 -0.109 0.000 1.011 459 R CA -0.565 55.440 56.100 -0.158 0.000 0.893 459 R CB 1.323 31.456 30.300 -0.278 0.000 1.233 459 R HN 0.027 nan 8.270 nan 0.000 0.464 460 I N 3.720 124.181 120.570 -0.181 0.000 2.439 460 I HA 0.351 4.521 4.170 0.001 0.000 0.285 460 I C -1.055 174.994 176.117 -0.114 0.000 1.021 460 I CA -0.602 60.679 61.300 -0.032 0.000 1.091 460 I CB 1.561 39.562 38.000 0.001 0.000 1.242 460 I HN 0.474 nan 8.210 nan 0.000 0.439 461 F N 4.849 124.789 119.950 -0.017 0.000 2.394 461 F HA 0.378 4.906 4.527 0.001 0.000 0.340 461 F C 0.726 176.503 175.800 -0.039 0.000 1.105 461 F CA -0.514 57.465 58.000 -0.035 0.000 1.124 461 F CB 1.028 39.996 39.000 -0.053 0.000 1.145 461 F HN 0.354 nan 8.300 nan 0.000 0.505 462 E N 4.354 124.621 120.200 0.113 0.000 2.195 462 E HA 0.308 4.658 4.350 0.001 0.000 0.271 462 E C -2.615 173.999 176.600 0.023 0.000 0.923 462 E CA -2.209 54.220 56.400 0.048 0.000 0.790 462 E CB 1.416 31.124 29.700 0.013 0.000 1.155 462 E HN 0.202 nan 8.360 nan 0.000 0.402 463 P HA -0.028 nan 4.420 nan 0.000 0.266 463 P C -0.372 176.907 177.300 -0.036 0.000 1.195 463 P CA 0.129 63.200 63.100 -0.048 0.000 0.768 463 P CB 0.287 31.951 31.700 -0.060 0.000 0.838 464 K N 0.874 121.245 120.400 -0.048 0.000 3.199 464 K HA 0.327 4.648 4.320 0.001 0.000 0.181 464 K C -0.133 176.446 176.600 -0.035 0.000 1.067 464 K CA -0.385 55.884 56.287 -0.030 0.000 1.021 464 K CB -0.064 32.428 32.500 -0.013 0.000 0.688 464 K HN 0.314 nan 8.250 nan 0.000 0.415 465 M N 2.567 122.131 119.600 -0.059 0.000 2.436 465 M HA 0.297 4.777 4.480 0.001 0.000 0.331 465 M C -1.260 175.017 176.300 -0.038 0.000 1.135 465 M CA -0.479 54.789 55.300 -0.052 0.000 0.987 465 M CB 1.412 33.948 32.600 -0.107 0.000 1.687 465 M HN 0.325 nan 8.290 nan 0.000 0.445 466 D N 2.682 123.074 120.400 -0.013 0.000 2.329 466 D HA 0.049 4.689 4.640 0.001 0.000 0.246 466 D C 0.439 176.739 176.300 -0.000 0.000 1.111 466 D CA -0.197 53.800 54.000 -0.005 0.000 0.941 466 D CB 0.853 41.658 40.800 0.008 0.000 1.169 466 D HN 0.748 nan 8.370 nan 0.000 0.441 467 E N 1.239 121.439 120.200 0.001 0.000 2.113 467 E HA -0.300 4.050 4.350 0.001 0.000 0.210 467 E C 1.592 178.210 176.600 0.030 0.000 1.040 467 E CA 2.152 58.557 56.400 0.009 0.000 0.847 467 E CB -0.080 29.626 29.700 0.011 0.000 0.755 467 E HN 0.537 nan 8.360 nan 0.000 0.459 468 K N -1.082 119.339 120.400 0.035 0.000 2.097 468 K HA -0.074 4.246 4.320 0.001 0.000 0.206 468 K C 2.247 178.888 176.600 0.068 0.000 1.049 468 K CA 1.755 58.072 56.287 0.049 0.000 0.933 468 K CB -0.211 32.315 32.500 0.045 0.000 0.717 468 K HN 0.140 nan 8.250 nan 0.000 0.442 469 T N 0.274 114.866 114.554 0.064 0.000 2.770 469 T HA -0.044 4.307 4.350 0.001 0.000 0.263 469 T C 1.754 176.517 174.700 0.104 0.000 1.039 469 T CA 0.748 62.901 62.100 0.089 0.000 1.142 469 T CB -0.080 68.832 68.868 0.073 0.000 0.868 469 T HN 0.165 nan 8.240 nan 0.000 0.435 470 R N 0.895 121.429 120.500 0.055 0.000 2.115 470 R HA -0.127 4.214 4.340 0.001 0.000 0.239 470 R C 2.471 178.853 176.300 0.137 0.000 1.133 470 R CA 1.495 57.621 56.100 0.044 0.000 0.935 470 R CB -0.204 30.084 30.300 -0.020 0.000 0.853 470 R HN 0.292 nan 8.270 nan 0.000 0.433 471 E N -0.227 120.045 120.200 0.119 0.000 2.204 471 E HA -0.149 4.202 4.350 0.001 0.000 0.194 471 E C 1.883 178.588 176.600 0.175 0.000 0.989 471 E CA 0.697 57.191 56.400 0.156 0.000 0.824 471 E CB -0.111 29.653 29.700 0.108 0.000 0.756 471 E HN 0.244 nan 8.360 nan 0.000 0.477 472 R N 0.228 120.824 120.500 0.160 0.000 2.112 472 R HA 0.089 4.430 4.340 0.001 0.000 0.216 472 R C 2.450 178.880 176.300 0.217 0.000 1.080 472 R CA 0.228 56.422 56.100 0.157 0.000 0.996 472 R CB -0.067 30.313 30.300 0.133 0.000 0.902 472 R HN 0.155 nan 8.270 nan 0.000 0.449 473 L N -0.389 121.013 121.223 0.298 0.000 2.046 473 L HA -0.210 4.131 4.340 0.001 0.000 0.208 473 L C 2.326 179.430 176.870 0.390 0.000 1.077 473 L CA 1.301 56.413 54.840 0.453 0.000 0.747 473 L CB -0.662 41.745 42.059 0.581 0.000 0.896 473 L HN 0.187 nan 8.230 nan 0.000 0.432 474 Y N 0.780 121.195 120.300 0.192 0.000 2.421 474 Y HA -0.203 4.348 4.550 0.001 0.000 0.292 474 Y C 2.574 178.504 175.900 0.050 0.000 1.136 474 Y CA 1.294 59.449 58.100 0.091 0.000 1.255 474 Y CB -0.114 38.431 38.460 0.142 0.000 0.991 474 Y HN 0.018 nan 8.280 nan 0.000 0.552 475 K N -0.592 119.837 120.400 0.048 0.000 2.167 475 K HA -0.041 4.280 4.320 0.001 0.000 0.203 475 K C 2.218 178.694 176.600 -0.205 0.000 1.052 475 K CA 0.860 57.093 56.287 -0.091 0.000 0.956 475 K CB -0.400 32.096 32.500 -0.007 0.000 0.735 475 K HN 0.442 nan 8.250 nan 0.000 0.451 476 G N 1.385 110.066 108.800 -0.198 0.000 2.418 476 G HA2 -0.282 3.678 3.960 0.001 0.000 0.217 476 G HA3 -0.282 3.678 3.960 0.001 0.000 0.217 476 G C 1.331 175.669 174.900 -0.936 0.000 1.158 476 G CA 0.536 45.308 45.100 -0.546 0.000 0.771 476 G HN 0.518 nan 8.290 nan 0.000 0.545 477 W N 1.668 122.377 121.300 -0.984 0.000 2.354 477 W HA -0.100 4.561 4.660 0.002 0.000 0.315 477 W C 2.279 178.457 176.519 -0.567 0.000 1.206 477 W CA 1.578 58.440 57.345 -0.805 0.000 1.290 477 W CB -0.247 28.668 29.460 -0.909 0.000 1.152 477 W HN 0.197 nan 8.180 nan 0.000 0.489 478 K N 0.036 120.049 120.400 -0.644 0.000 2.127 478 K HA -0.244 4.076 4.320 0.001 0.000 0.208 478 K C 1.841 178.140 176.600 -0.502 0.000 1.047 478 K CA 2.166 58.103 56.287 -0.583 0.000 0.927 478 K CB -0.241 31.997 32.500 -0.436 0.000 0.716 478 K HN 0.060 nan 8.250 nan 0.000 0.450 479 E N -0.182 119.744 120.200 -0.457 0.000 2.170 479 E HA -0.007 4.343 4.350 0.001 0.000 0.191 479 E C 2.026 178.382 176.600 -0.407 0.000 0.981 479 E CA 0.866 57.053 56.400 -0.354 0.000 0.830 479 E CB -0.056 29.469 29.700 -0.291 0.000 0.775 479 E HN 0.309 nan 8.360 nan 0.000 0.470 480 A N 1.026 123.519 122.820 -0.546 0.000 1.933 480 A HA -0.123 4.197 4.320 0.001 0.000 0.218 480 A C 2.551 179.817 177.584 -0.529 0.000 1.175 480 A CA 1.257 53.002 52.037 -0.486 0.000 0.628 480 A CB -0.606 18.102 19.000 -0.486 0.000 0.814 480 A HN 0.121 nan 8.150 nan 0.000 0.444 481 V N 0.203 119.664 119.914 -0.756 0.000 2.343 481 V HA -0.274 3.847 4.120 0.001 0.000 0.247 481 V C 2.414 178.204 176.094 -0.507 0.000 1.051 481 V CA 2.329 64.166 62.300 -0.772 0.000 1.036 481 V CB -0.641 30.594 31.823 -0.980 0.000 0.654 481 V HN 0.555 nan 8.190 nan 0.000 0.451 482 K N -0.151 120.014 120.400 -0.393 0.000 2.152 482 K HA -0.166 4.155 4.320 0.001 0.000 0.206 482 K C 2.220 178.708 176.600 -0.188 0.000 1.048 482 K CA 1.364 57.501 56.287 -0.249 0.000 0.933 482 K CB -0.218 32.167 32.500 -0.191 0.000 0.721 482 K HN 0.401 nan 8.250 nan 0.000 0.447 483 R N -0.156 120.217 120.500 -0.211 0.000 2.276 483 R HA 0.049 4.389 4.340 0.001 0.000 0.203 483 R C 1.841 178.051 176.300 -0.150 0.000 1.017 483 R CA 0.648 56.656 56.100 -0.154 0.000 1.010 483 R CB 0.150 30.354 30.300 -0.160 0.000 0.900 483 R HN 0.133 nan 8.270 nan 0.000 0.469 484 A N 0.256 122.962 122.820 -0.191 0.000 2.147 484 A HA 0.180 4.500 4.320 0.001 0.000 0.211 484 A C 0.863 178.420 177.584 -0.046 0.000 1.160 484 A CA -0.061 51.880 52.037 -0.159 0.000 0.781 484 A CB 0.123 18.986 19.000 -0.227 0.000 0.842 484 A HN 0.106 nan 8.150 nan 0.000 0.475 485 M N -0.383 119.177 119.600 -0.067 0.000 2.245 485 M HA 0.341 4.821 4.480 0.001 0.000 0.344 485 M C 1.349 177.725 176.300 0.127 0.000 1.170 485 M CA 1.228 56.528 55.300 0.000 0.000 1.135 485 M CB 0.370 32.929 32.600 -0.068 0.000 1.574 485 M HN 0.566 nan 8.290 nan 0.000 0.452 486 G N 2.069 110.989 108.800 0.200 0.000 2.155 486 G HA2 -0.238 3.723 3.960 0.001 0.000 0.257 486 G HA3 -0.238 3.723 3.960 0.001 0.000 0.257 486 G C 0.453 175.510 174.900 0.262 0.000 0.983 486 G CA 0.502 45.756 45.100 0.257 0.000 0.676 486 G HN 0.998 nan 8.290 nan 0.000 0.528 487 W N 0.336 121.691 121.300 0.091 0.000 2.408 487 W HA 0.140 4.800 4.660 0.001 0.000 0.311 487 W C 2.141 178.682 176.519 0.037 0.000 1.190 487 W CA 1.668 59.039 57.345 0.043 0.000 1.321 487 W CB -0.532 28.944 29.460 0.026 0.000 1.143 487 W HN 0.597 nan 8.180 nan 0.000 0.501 488 A N 1.331 124.222 122.820 0.117 0.000 2.234 488 A HA -0.244 4.077 4.320 0.001 0.000 0.216 488 A C 1.814 179.260 177.584 -0.231 0.000 1.167 488 A CA 1.896 53.900 52.037 -0.056 0.000 0.698 488 A CB -0.827 18.263 19.000 0.149 0.000 0.779 488 A HN 0.539 nan 8.150 nan 0.000 0.475 489 K N -0.398 119.858 120.400 -0.241 0.000 2.358 489 K HA 0.200 4.521 4.320 0.001 0.000 0.197 489 K C 0.898 177.327 176.600 -0.284 0.000 1.025 489 K CA 0.796 56.851 56.287 -0.387 0.000 1.104 489 K CB 0.111 32.216 32.500 -0.658 0.000 0.855 489 K HN 0.264 nan 8.250 nan 0.000 0.531 490 V N -1.413 118.307 119.914 -0.322 0.000 2.785 490 V HA 0.134 4.255 4.120 0.001 0.000 0.226 490 V C 1.212 177.055 176.094 -0.417 0.000 1.127 490 V CA -0.290 61.813 62.300 -0.327 0.000 1.193 490 V CB -0.535 31.124 31.823 -0.272 0.000 0.926 490 V HN -0.027 nan 8.190 nan 0.000 0.507 491 V N 2.828 122.326 119.914 -0.693 0.000 2.814 491 V HA 0.006 4.127 4.120 0.001 0.000 0.307 491 V C -0.229 175.588 176.094 -0.461 0.000 1.089 491 V CA 0.213 62.134 62.300 -0.631 0.000 1.212 491 V CB -0.583 30.598 31.823 -1.070 0.000 0.912 491 V HN 0.667 nan 8.190 nan 0.000 0.497 492 D N 2.534 122.771 120.400 -0.272 0.000 2.371 492 D HA 0.266 4.906 4.640 0.001 0.000 0.256 492 D C 0.660 176.884 176.300 -0.127 0.000 1.193 492 D CA 0.311 54.210 54.000 -0.169 0.000 0.881 492 D CB 0.686 41.423 40.800 -0.105 0.000 1.143 492 D HN 0.724 nan 8.370 nan 0.000 0.473 493 S N 0.388 116.037 115.700 -0.085 0.000 2.601 493 S HA 0.524 4.994 4.470 0.001 0.000 0.244 493 S C 0.472 175.064 174.600 -0.012 0.000 1.001 493 S CA -0.839 57.339 58.200 -0.037 0.000 0.984 493 S CB 0.336 63.528 63.200 -0.014 0.000 0.842 493 S HN 0.488 nan 8.310 nan 0.000 0.474 494 A N 0.000 122.809 122.820 -0.018 0.000 2.254 494 A HA 0.000 4.320 4.320 0.001 0.000 0.244 494 A CA 0.000 52.039 52.037 0.004 0.000 0.836 494 A CB 0.000 19.006 19.000 0.011 0.000 0.831 494 A HN 0.000 nan 8.150 nan 0.000 0.486