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 2rfz_1_B DATA FIRST_RESID 2 DATA SEQUENCE RAGNETPENH PPLTWQRcTA PGNcQTVNAE VVIDANWRWL HDDNMQNcYD DATA SEQUENCE GNQWTNAcST ATDcAEKcMI EGAGDYLGTY GASTSGDALT LKFVTKHEYG DATA SEQUENCE TNVGSRFYLM NGPDKYQMFN LMGNELAFDV DLSTVEcGIN SALYFVAMEE DATA SEQUENCE DGGMASYPSN QAGARYGTGY cDAQcARDLK FVGGKANIEG WKSSTSDPNA DATA SEQUENCE GVGPYGSccA EIDVWESNAY AFAFTPHAcT TNEYHVcETT NcGGTYSEDR DATA SEQUENCE FAGKcDANGc DYNPYRMGNP DFYGKGKTLD TSRKFTVVSR FEENKLSQYF DATA SEQUENCE IQDGRKIEIP PPTWEGMPNS SEITPELcST MFDVFNDRNR FEEVGGFEQL DATA SEQUENCE NNALRVPMVL VMSIWDDHYA NMLWLDSIYP PEKEGQPGAA RGDcPTDSGV DATA SEQUENCE PAEVEAQFPD AQVVWSNIRF GPIGSTYDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.169 176.300 -0.218 0.000 0.893 2 R CA 0.000 56.008 56.100 -0.154 0.000 0.921 2 R CB 0.000 30.229 30.300 -0.119 0.000 0.687 3 A N 0.694 123.386 122.820 -0.213 0.000 2.450 3 A HA 0.566 4.887 4.320 0.001 0.000 0.255 3 A C 0.492 177.895 177.584 -0.301 0.000 1.096 3 A CA 0.487 52.293 52.037 -0.386 0.000 0.778 3 A CB 0.005 18.863 19.000 -0.236 0.000 1.031 3 A HN 0.731 nan 8.150 nan 0.000 0.494 4 G N 0.839 109.424 108.800 -0.358 0.000 2.420 4 G HA2 0.367 4.328 3.960 0.001 0.000 0.284 4 G HA3 0.367 4.328 3.960 0.001 0.000 0.284 4 G C 0.201 175.025 174.900 -0.126 0.000 1.177 4 G CA -0.529 44.423 45.100 -0.247 0.000 0.841 4 G HN 0.755 nan 8.290 nan 0.000 0.527 5 N N 0.406 119.071 118.700 -0.057 0.000 2.453 5 N HA 0.057 4.797 4.740 0.001 0.000 0.270 5 N C 0.814 176.350 175.510 0.043 0.000 1.195 5 N CA -0.054 52.997 53.050 0.003 0.000 0.902 5 N CB 1.159 39.647 38.487 0.001 0.000 1.186 5 N HN 0.705 nan 8.380 nan 0.000 0.510 6 E N -0.367 119.879 120.200 0.077 0.000 2.052 6 E HA 0.118 4.469 4.350 0.001 0.000 0.192 6 E C 0.053 176.736 176.600 0.138 0.000 0.958 6 E CA 0.864 57.343 56.400 0.132 0.000 0.835 6 E CB 0.196 30.037 29.700 0.236 0.000 0.811 6 E HN -0.079 nan 8.360 nan 0.000 0.462 7 T N 2.653 117.312 114.554 0.176 0.000 2.845 7 T HA 0.315 4.666 4.350 0.001 0.000 0.288 7 T C -2.594 172.185 174.700 0.132 0.000 0.980 7 T CA -1.609 60.580 62.100 0.147 0.000 1.071 7 T CB 1.354 70.324 68.868 0.170 0.000 0.941 7 T HN 0.098 nan 8.240 nan 0.000 0.487 8 P HA 0.251 nan 4.420 nan 0.000 0.281 8 P C -0.684 176.690 177.300 0.124 0.000 1.286 8 P CA -0.396 62.768 63.100 0.106 0.000 0.772 8 P CB 0.671 32.419 31.700 0.079 0.000 0.862 9 E N 3.657 123.945 120.200 0.148 0.000 2.070 9 E HA 0.149 4.499 4.350 0.001 0.000 0.282 9 E C -0.829 175.753 176.600 -0.030 0.000 1.104 9 E CA -0.108 56.369 56.400 0.128 0.000 0.876 9 E CB -0.395 29.426 29.700 0.202 0.000 1.055 9 E HN 0.134 nan 8.360 nan 0.000 0.401 10 N N 3.401 122.156 118.700 0.091 0.000 2.564 10 N HA 0.165 4.905 4.740 0.001 0.000 0.248 10 N C -1.391 174.241 175.510 0.205 0.000 0.986 10 N CA -0.491 52.598 53.050 0.066 0.000 0.921 10 N CB 0.443 39.004 38.487 0.124 0.000 1.136 10 N HN 0.501 nan 8.380 nan 0.000 0.509 11 H N 2.151 121.316 119.070 0.158 0.000 2.975 11 H HA 0.093 4.649 4.556 0.001 0.000 0.303 11 H C -1.679 173.623 175.328 -0.044 0.000 1.023 11 H CA -1.386 54.694 56.048 0.052 0.000 1.473 11 H CB 0.353 30.141 29.762 0.044 0.000 1.498 11 H HN 0.364 nan 8.280 nan 0.000 0.549 12 P HA -0.029 nan 4.420 nan 0.000 0.267 12 P C -2.529 174.776 177.300 0.009 0.000 1.200 12 P CA -1.136 61.916 63.100 -0.081 0.000 0.772 12 P CB 0.455 32.028 31.700 -0.211 0.000 0.855 13 P HA 0.433 nan 4.420 nan 0.000 0.278 13 P C -0.823 176.501 177.300 0.041 0.000 1.266 13 P CA -0.249 62.879 63.100 0.047 0.000 0.807 13 P CB 0.853 32.580 31.700 0.044 0.000 1.094 14 L N -0.695 120.571 121.223 0.072 0.000 2.983 14 L HA 0.439 4.779 4.340 0.001 0.000 0.249 14 L C -1.057 175.903 176.870 0.149 0.000 0.963 14 L CA 0.084 54.978 54.840 0.090 0.000 1.011 14 L CB 1.498 43.601 42.059 0.073 0.000 1.607 14 L HN 0.719 nan 8.230 nan 0.000 0.447 15 T N 0.452 115.101 114.554 0.159 0.000 2.926 15 T HA 0.888 5.239 4.350 0.001 0.000 0.289 15 T C -1.200 173.700 174.700 0.332 0.000 1.054 15 T CA -0.437 61.779 62.100 0.193 0.000 1.015 15 T CB 1.662 70.576 68.868 0.078 0.000 1.167 15 T HN 0.866 nan 8.240 nan 0.000 0.526 16 W N -0.075 121.272 121.300 0.077 0.000 3.040 16 W HA 0.595 5.255 4.660 0.001 0.000 0.344 16 W C -1.546 175.032 176.519 0.099 0.000 1.201 16 W CA -1.258 56.149 57.345 0.104 0.000 1.119 16 W CB 0.657 30.207 29.460 0.151 0.000 1.478 16 W HN 0.714 nan 8.180 nan 0.000 0.586 17 Q N 1.792 121.756 119.800 0.274 0.000 2.348 17 Q HA 0.356 4.696 4.340 0.001 0.000 0.265 17 Q C -0.491 175.590 176.000 0.135 0.000 0.998 17 Q CA -0.789 55.062 55.803 0.080 0.000 0.831 17 Q CB 2.872 31.658 28.738 0.080 0.000 1.251 17 Q HN 0.366 nan 8.270 nan 0.000 0.456 18 R N 2.301 122.759 120.500 -0.071 0.000 2.220 18 R HA 0.263 4.603 4.340 0.001 0.000 0.340 18 R C -1.110 175.241 176.300 0.085 0.000 1.076 18 R CA -0.111 56.023 56.100 0.056 0.000 0.920 18 R CB 0.174 30.401 30.300 -0.121 0.000 1.062 18 R HN 0.640 nan 8.270 nan 0.000 0.469 19 c N 3.468 122.160 118.600 0.153 0.000 2.369 19 c HA 0.278 4.849 4.570 0.001 0.000 0.358 19 c C 1.722 175.852 174.090 0.066 0.000 1.274 19 c CA -0.482 55.892 56.329 0.076 0.000 1.935 19 c CB 1.150 43.693 42.510 0.055 0.000 2.431 19 c HN 0.952 nan 8.230 nan 0.000 0.545 20 T N -0.710 113.864 114.554 0.033 0.000 3.000 20 T HA 0.485 4.835 4.350 0.001 0.000 0.248 20 T C 0.320 175.028 174.700 0.013 0.000 1.034 20 T CA 0.561 62.678 62.100 0.029 0.000 1.060 20 T CB 0.272 69.152 68.868 0.021 0.000 0.983 20 T HN 0.969 nan 8.240 nan 0.000 0.482 21 A N 1.340 124.161 122.820 0.002 0.000 2.609 21 A HA 0.710 5.030 4.320 0.001 0.000 0.291 21 A C -3.111 174.462 177.584 -0.017 0.000 1.096 21 A CA -1.785 50.248 52.037 -0.006 0.000 0.684 21 A CB 0.643 19.639 19.000 -0.007 0.000 1.282 21 A HN -0.032 nan 8.150 nan 0.000 0.412 22 P HA 0.244 nan 4.420 nan 0.000 0.240 22 P C 0.860 178.139 177.300 -0.036 0.000 1.594 22 P CA 1.961 65.044 63.100 -0.028 0.000 1.184 22 P CB -0.199 31.486 31.700 -0.026 0.000 1.915 23 G N 1.069 109.843 108.800 -0.043 0.000 3.246 23 G HA2 -0.124 3.837 3.960 0.001 0.000 0.218 23 G HA3 -0.124 3.837 3.960 0.001 0.000 0.218 23 G C -0.048 174.829 174.900 -0.038 0.000 0.978 23 G CA -0.467 44.608 45.100 -0.042 0.000 0.825 23 G HN 0.426 nan 8.290 nan 0.000 0.546 24 N N 0.361 119.042 118.700 -0.032 0.000 2.483 24 N HA 0.526 5.267 4.740 0.001 0.000 0.267 24 N C -1.309 174.187 175.510 -0.023 0.000 0.998 24 N CA -0.145 52.889 53.050 -0.026 0.000 0.918 24 N CB 1.886 40.362 38.487 -0.018 0.000 1.215 24 N HN 0.164 nan 8.380 nan 0.000 0.500 25 c N 1.582 120.166 118.600 -0.028 0.000 2.431 25 c HA 0.320 4.891 4.570 0.001 0.000 0.321 25 c C 0.640 174.711 174.090 -0.031 0.000 1.202 25 c CA -0.855 55.461 56.329 -0.022 0.000 1.398 25 c CB 1.389 43.887 42.510 -0.020 0.000 2.047 25 c HN 0.596 nan 8.230 nan 0.000 0.465 26 Q N 0.795 120.567 119.800 -0.046 0.000 2.535 26 Q HA 0.263 4.603 4.340 0.001 0.000 0.228 26 Q C -0.209 175.733 176.000 -0.097 0.000 1.062 26 Q CA 0.708 56.467 55.803 -0.074 0.000 0.967 26 Q CB 0.827 29.505 28.738 -0.100 0.000 1.273 26 Q HN 0.764 nan 8.270 nan 0.000 0.554 27 T N 1.250 115.741 114.554 -0.106 0.000 2.792 27 T HA 0.394 4.744 4.350 0.001 0.000 0.280 27 T C -1.040 173.547 174.700 -0.188 0.000 0.990 27 T CA -0.510 61.521 62.100 -0.114 0.000 0.960 27 T CB 0.981 69.815 68.868 -0.057 0.000 0.939 27 T HN 0.304 nan 8.240 nan 0.000 0.439 28 V N 5.215 124.946 119.914 -0.305 0.000 2.311 28 V HA 0.291 4.411 4.120 0.001 0.000 0.275 28 V C 0.249 176.230 176.094 -0.189 0.000 1.022 28 V CA -1.033 61.023 62.300 -0.407 0.000 0.830 28 V CB 0.491 31.694 31.823 -1.032 0.000 1.012 28 V HN 0.845 nan 8.190 nan 0.000 0.452 29 N N 3.977 122.623 118.700 -0.089 0.000 2.671 29 N HA 0.466 5.206 4.740 0.001 0.000 0.274 29 N C 0.399 175.931 175.510 0.036 0.000 1.188 29 N CA -0.111 52.936 53.050 -0.005 0.000 1.065 29 N CB 0.846 39.331 38.487 -0.004 0.000 1.415 29 N HN 0.825 nan 8.380 nan 0.000 0.511 30 A N 2.124 125.008 122.820 0.107 0.000 2.951 30 A HA 0.614 4.934 4.320 0.001 0.000 0.239 30 A C 0.297 177.968 177.584 0.145 0.000 1.623 30 A CA -0.137 52.006 52.037 0.176 0.000 0.868 30 A CB 0.719 19.943 19.000 0.373 0.000 1.712 30 A HN 0.587 nan 8.150 nan 0.000 0.558 31 E N -2.337 117.953 120.200 0.151 0.000 2.427 31 E HA 0.480 4.830 4.350 0.001 0.000 0.279 31 E C -1.760 174.895 176.600 0.091 0.000 1.120 31 E CA -0.629 55.839 56.400 0.115 0.000 0.869 31 E CB 0.744 30.523 29.700 0.133 0.000 1.393 31 E HN 0.994 nan 8.360 nan 0.000 0.443 32 V N -1.349 118.606 119.914 0.068 0.000 3.102 32 V HA 0.875 4.995 4.120 0.001 0.000 0.312 32 V C -0.638 175.441 176.094 -0.024 0.000 1.135 32 V CA -0.923 61.418 62.300 0.069 0.000 1.022 32 V CB 1.644 33.572 31.823 0.174 0.000 1.056 32 V HN 0.626 nan 8.190 nan 0.000 0.436 33 V N 2.155 122.006 119.914 -0.105 0.000 2.777 33 V HA 0.542 4.663 4.120 0.001 0.000 0.306 33 V C -0.746 175.004 176.094 -0.573 0.000 1.112 33 V CA -0.525 61.656 62.300 -0.200 0.000 0.917 33 V CB 1.834 33.491 31.823 -0.277 0.000 1.018 33 V HN 0.954 nan 8.190 nan 0.000 0.426 34 I N 5.136 125.273 120.570 -0.721 0.000 2.588 34 I HA 0.180 4.351 4.170 0.001 0.000 0.283 34 I C 0.689 176.398 176.117 -0.680 0.000 1.119 34 I CA 0.130 60.705 61.300 -1.208 0.000 1.419 34 I CB 0.723 38.018 38.000 -1.175 0.000 1.394 34 I HN 0.852 nan 8.210 nan 0.000 0.562 35 D N 5.924 125.789 120.400 -0.891 0.000 2.648 35 D HA -0.118 4.522 4.640 0.001 0.000 0.229 35 D C 0.816 177.088 176.300 -0.048 0.000 1.119 35 D CA 0.388 54.176 54.000 -0.353 0.000 0.850 35 D CB 1.182 41.721 40.800 -0.434 0.000 1.169 35 D HN 0.712 nan 8.370 nan 0.000 0.489 36 A N 4.392 127.318 122.820 0.178 0.000 2.225 36 A HA -0.198 4.122 4.320 0.001 0.000 0.215 36 A C 1.878 179.633 177.584 0.286 0.000 1.164 36 A CA 1.054 53.229 52.037 0.229 0.000 0.710 36 A CB -0.303 18.845 19.000 0.247 0.000 0.780 36 A HN 0.707 nan 8.150 nan 0.000 0.473 37 N N -0.864 118.073 118.700 0.396 0.000 2.244 37 N HA -0.109 4.632 4.740 0.001 0.000 0.183 37 N C 1.349 177.011 175.510 0.253 0.000 1.016 37 N CA 1.118 54.346 53.050 0.297 0.000 0.866 37 N CB -0.184 38.454 38.487 0.251 0.000 0.980 37 N HN 0.715 nan 8.380 nan 0.000 0.430 38 W N 1.256 122.576 121.300 0.033 0.000 2.611 38 W HA 0.011 4.672 4.660 0.001 0.000 0.251 38 W C 0.342 176.990 176.519 0.215 0.000 1.265 38 W CA 0.025 57.435 57.345 0.107 0.000 1.295 38 W CB 0.013 29.429 29.460 -0.072 0.000 1.129 38 W HN 0.032 nan 8.180 nan 0.000 0.630 39 R N -0.649 120.079 120.500 0.380 0.000 2.549 39 R HA 0.102 4.442 4.340 0.001 0.000 0.267 39 R C -0.382 176.122 176.300 0.340 0.000 1.045 39 R CA -0.917 55.395 56.100 0.352 0.000 1.115 39 R CB 0.548 31.008 30.300 0.267 0.000 1.121 39 R HN -0.239 nan 8.270 nan 0.000 0.543 40 W N 3.063 124.441 121.300 0.130 0.000 2.303 40 W HA 0.216 4.876 4.660 0.000 0.000 0.318 40 W C -1.194 175.393 176.519 0.114 0.000 1.362 40 W CA -0.385 57.026 57.345 0.110 0.000 1.234 40 W CB 0.131 29.656 29.460 0.109 0.000 1.248 40 W HN 0.333 nan 8.180 nan 0.000 0.546 41 L N 7.851 129.149 121.223 0.126 0.000 2.325 41 L HA 0.385 4.725 4.340 0.001 0.000 0.281 41 L C -0.710 176.066 176.870 -0.157 0.000 1.004 41 L CA -0.700 54.090 54.840 -0.083 0.000 0.823 41 L CB 0.971 43.017 42.059 -0.023 0.000 1.236 41 L HN 0.690 nan 8.230 nan 0.000 0.415 42 H N 0.435 119.285 119.070 -0.367 0.000 3.037 42 H HA 0.359 4.915 4.556 0.001 0.000 0.336 42 H C -0.931 174.266 175.328 -0.219 0.000 1.323 42 H CA -1.099 54.767 56.048 -0.303 0.000 1.159 42 H CB 0.625 30.068 29.762 -0.531 0.000 1.882 42 H HN 0.367 nan 8.280 nan 0.000 0.535 43 D N 0.233 120.635 120.400 0.002 0.000 2.691 43 D HA -0.153 4.488 4.640 0.001 0.000 0.194 43 D C 0.410 176.716 176.300 0.011 0.000 1.180 43 D CA 1.421 55.438 54.000 0.028 0.000 0.801 43 D CB 0.418 41.265 40.800 0.078 0.000 1.175 43 D HN 0.815 nan 8.370 nan 0.000 0.527 44 D N 1.083 121.476 120.400 -0.012 0.000 2.690 44 D HA 0.036 4.676 4.640 0.001 0.000 0.236 44 D C -0.091 176.222 176.300 0.023 0.000 1.218 44 D CA -0.129 53.865 54.000 -0.009 0.000 0.829 44 D CB -0.824 39.957 40.800 -0.031 0.000 1.009 44 D HN 0.359 nan 8.370 nan 0.000 0.482 45 N N -0.745 117.985 118.700 0.051 0.000 2.127 45 N HA 0.071 4.811 4.740 0.001 0.000 0.229 45 N C 0.292 175.831 175.510 0.049 0.000 1.374 45 N CA -0.188 52.886 53.050 0.041 0.000 0.763 45 N CB 0.406 38.910 38.487 0.028 0.000 1.269 45 N HN -0.180 nan 8.380 nan 0.000 0.516 46 M N -0.899 118.749 119.600 0.079 0.000 2.887 46 M HA -0.259 4.222 4.480 0.001 0.000 0.175 46 M C 0.460 176.784 176.300 0.040 0.000 0.655 46 M CA 1.276 56.566 55.300 -0.017 0.000 0.669 46 M CB -1.766 30.829 32.600 -0.007 0.000 2.420 46 M HN 0.531 nan 8.290 nan 0.000 0.273 47 Q N 2.126 121.972 119.800 0.077 0.000 2.369 47 Q HA 0.168 4.508 4.340 0.001 0.000 0.295 47 Q C 0.160 176.238 176.000 0.129 0.000 1.075 47 Q CA 0.706 56.562 55.803 0.087 0.000 0.941 47 Q CB 0.529 29.303 28.738 0.060 0.000 1.260 47 Q HN 0.488 nan 8.270 nan 0.000 0.417 48 N N 1.360 120.144 118.700 0.140 0.000 2.354 48 N HA 0.096 4.837 4.740 0.001 0.000 0.246 48 N C -0.256 175.310 175.510 0.093 0.000 1.285 48 N CA -0.287 52.854 53.050 0.151 0.000 0.925 48 N CB 0.606 39.184 38.487 0.151 0.000 1.174 48 N HN 0.674 nan 8.380 nan 0.000 0.478 49 c N -0.108 118.539 118.600 0.080 0.000 2.609 49 c HA 0.265 4.835 4.570 0.001 0.000 0.305 49 c C 0.028 174.230 174.090 0.187 0.000 1.319 49 c CA -0.018 56.403 56.329 0.153 0.000 1.793 49 c CB -0.843 41.776 42.510 0.182 0.000 2.260 49 c HN 0.626 nan 8.230 nan 0.000 0.535 50 Y N 0.636 120.765 120.300 -0.286 0.000 2.598 50 Y HA 0.636 5.187 4.550 0.001 0.000 0.340 50 Y C -1.267 174.442 175.900 -0.317 0.000 1.038 50 Y CA -0.940 56.775 58.100 -0.640 0.000 1.100 50 Y CB 1.124 38.887 38.460 -1.161 0.000 1.281 50 Y HN 0.008 nan 8.280 nan 0.000 0.488 51 D N 0.976 120.737 120.400 -1.064 0.000 2.931 51 D HA 0.441 5.082 4.640 0.001 0.000 0.215 51 D C 0.356 176.251 176.300 -0.675 0.000 1.297 51 D CA 0.810 54.465 54.000 -0.574 0.000 0.892 51 D CB 1.750 42.367 40.800 -0.306 0.000 1.642 51 D HN 0.892 nan 8.370 nan 0.000 0.560 52 G N 3.954 112.548 108.800 -0.344 0.000 2.774 52 G HA2 -0.359 3.602 3.960 0.001 0.000 0.342 52 G HA3 -0.359 3.602 3.960 0.001 0.000 0.342 52 G C 0.498 175.282 174.900 -0.194 0.000 1.185 52 G CA 1.080 46.062 45.100 -0.196 0.000 0.956 52 G HN 0.835 nan 8.290 nan 0.000 0.561 53 N N 0.879 119.483 118.700 -0.159 0.000 2.553 53 N HA 0.330 5.071 4.740 0.001 0.000 0.298 53 N C -0.178 175.444 175.510 0.188 0.000 1.596 53 N CA 0.821 53.949 53.050 0.129 0.000 0.910 53 N CB 0.615 39.222 38.487 0.200 0.000 1.336 53 N HN 1.205 nan 8.380 nan 0.000 0.497 54 Q N -0.043 119.452 119.800 -0.508 0.000 2.616 54 Q HA 0.073 4.413 4.340 0.001 0.000 0.254 54 Q C -1.843 173.696 176.000 -0.769 0.000 0.975 54 Q CA -0.471 55.127 55.803 -0.343 0.000 0.976 54 Q CB 0.244 29.031 28.738 0.081 0.000 1.594 54 Q HN 0.196 nan 8.270 nan 0.000 0.425 55 W N 4.077 125.064 121.300 -0.523 0.000 2.489 55 W HA 0.105 4.765 4.660 0.001 0.000 0.327 55 W C 1.455 177.854 176.519 -0.200 0.000 1.436 55 W CA 1.090 58.270 57.345 -0.277 0.000 1.315 55 W CB 0.604 29.949 29.460 -0.192 0.000 1.373 55 W HN 0.625 nan 8.180 nan 0.000 0.557 56 T N 0.001 114.568 114.554 0.021 0.000 3.290 56 T HA -0.157 4.193 4.350 0.001 0.000 0.434 56 T C 0.928 175.666 174.700 0.064 0.000 1.097 56 T CA 0.352 62.463 62.100 0.019 0.000 1.136 56 T CB 0.278 69.157 68.868 0.019 0.000 1.322 56 T HN 0.438 nan 8.240 nan 0.000 0.506 57 N N 0.116 118.843 118.700 0.044 0.000 2.184 57 N HA 0.271 5.011 4.740 0.001 0.000 0.206 57 N C 0.814 176.344 175.510 0.033 0.000 1.151 57 N CA 0.268 53.339 53.050 0.034 0.000 0.878 57 N CB 0.228 38.726 38.487 0.020 0.000 1.014 57 N HN 0.725 nan 8.380 nan 0.000 0.512 58 A N 0.226 123.075 122.820 0.049 0.000 2.543 58 A HA 0.376 4.696 4.320 0.001 0.000 0.258 58 A C 0.018 177.628 177.584 0.042 0.000 1.391 58 A CA -0.072 51.991 52.037 0.043 0.000 1.066 58 A CB -0.731 18.299 19.000 0.050 0.000 0.972 58 A HN 0.230 nan 8.150 nan 0.000 0.560 59 c N -3.221 115.391 118.600 0.021 0.000 3.275 59 c HA 0.579 5.149 4.570 0.001 0.000 0.345 59 c C 1.050 175.099 174.090 -0.068 0.000 1.257 59 c CA 0.009 56.319 56.329 -0.031 0.000 1.203 59 c CB 1.580 44.073 42.510 -0.028 0.000 1.492 59 c HN 0.447 nan 8.230 nan 0.000 0.484 60 S N -0.985 114.641 115.700 -0.123 0.000 2.462 60 S HA 0.154 4.624 4.470 0.001 0.000 0.269 60 S C 0.100 174.605 174.600 -0.157 0.000 1.005 60 S CA 0.718 58.849 58.200 -0.114 0.000 1.260 60 S CB 0.662 63.822 63.200 -0.066 0.000 0.990 60 S HN 1.055 nan 8.310 nan 0.000 0.477 61 T N -0.517 113.933 114.554 -0.173 0.000 2.926 61 T HA 0.779 5.129 4.350 0.001 0.000 0.289 61 T C 0.644 175.195 174.700 -0.249 0.000 1.054 61 T CA 0.027 62.022 62.100 -0.176 0.000 1.015 61 T CB 1.708 70.514 68.868 -0.104 0.000 1.167 61 T HN 0.105 nan 8.240 nan 0.000 0.526 62 A N 0.641 123.323 122.820 -0.231 0.000 2.255 62 A HA 0.264 4.584 4.320 0.001 0.000 0.206 62 A C 1.583 179.106 177.584 -0.103 0.000 1.193 62 A CA 1.158 53.048 52.037 -0.245 0.000 0.794 62 A CB -1.146 17.702 19.000 -0.253 0.000 0.794 62 A HN 0.917 nan 8.150 nan 0.000 0.481 63 T N -0.570 113.941 114.554 -0.071 0.000 3.138 63 T HA 0.005 4.356 4.350 0.001 0.000 0.245 63 T C 1.361 176.067 174.700 0.010 0.000 0.982 63 T CA 0.610 62.709 62.100 -0.003 0.000 1.134 63 T CB -0.379 68.487 68.868 -0.003 0.000 1.032 63 T HN 0.646 nan 8.240 nan 0.000 0.442 64 D N 1.192 121.579 120.400 -0.022 0.000 2.312 64 D HA -0.026 4.614 4.640 0.001 0.000 0.211 64 D C 1.764 178.075 176.300 0.018 0.000 0.964 64 D CA 0.352 54.347 54.000 -0.007 0.000 0.877 64 D CB -0.982 39.803 40.800 -0.024 0.000 0.924 64 D HN 0.360 nan 8.370 nan 0.000 0.515 65 c N 0.743 119.349 118.600 0.010 0.000 2.453 65 c HA 0.151 4.721 4.570 0.001 0.000 0.277 65 c C 3.094 177.389 174.090 0.341 0.000 1.262 65 c CA 0.784 57.171 56.329 0.096 0.000 1.718 65 c CB -1.125 41.298 42.510 -0.144 0.000 2.031 65 c HN 0.525 nan 8.230 nan 0.000 0.480 66 A N 0.861 123.931 122.820 0.417 0.000 1.892 66 A HA -0.246 4.074 4.320 0.001 0.000 0.218 66 A C 2.003 179.610 177.584 0.037 0.000 1.188 66 A CA 2.035 54.183 52.037 0.186 0.000 0.631 66 A CB -0.615 18.436 19.000 0.086 0.000 0.822 66 A HN 0.742 nan 8.150 nan 0.000 0.447 67 E N -0.370 119.856 120.200 0.043 0.000 2.028 67 E HA -0.209 4.142 4.350 0.001 0.000 0.191 67 E C 2.120 178.714 176.600 -0.009 0.000 0.988 67 E CA 1.495 57.897 56.400 0.004 0.000 0.799 67 E CB -0.215 29.489 29.700 0.006 0.000 0.755 67 E HN 0.827 nan 8.360 nan 0.000 0.447 68 K N 0.419 120.823 120.400 0.007 0.000 2.361 68 K HA 0.050 4.370 4.320 0.001 0.000 0.196 68 K C 0.313 176.895 176.600 -0.030 0.000 1.039 68 K CA 0.340 56.620 56.287 -0.011 0.000 1.001 68 K CB 0.243 32.743 32.500 0.001 0.000 0.795 68 K HN 0.026 nan 8.250 nan 0.000 0.495 69 c N 2.070 120.677 118.600 0.012 0.000 2.366 69 c HA 0.619 5.190 4.570 0.001 0.000 0.345 69 c C -0.252 173.778 174.090 -0.100 0.000 1.209 69 c CA -0.997 55.320 56.329 -0.019 0.000 2.050 69 c CB 0.519 43.126 42.510 0.161 0.000 2.359 69 c HN 0.491 nan 8.230 nan 0.000 0.527 70 M N 3.709 123.170 119.600 -0.232 0.000 2.326 70 M HA 0.621 5.102 4.480 0.001 0.000 0.292 70 M C -0.545 175.549 176.300 -0.343 0.000 1.081 70 M CA -0.446 54.688 55.300 -0.278 0.000 0.919 70 M CB 0.901 33.325 32.600 -0.293 0.000 1.634 70 M HN 0.600 nan 8.290 nan 0.000 0.451 71 I N -1.173 119.233 120.570 -0.272 0.000 2.581 71 I HA 0.540 4.711 4.170 0.001 0.000 0.288 71 I C -0.122 175.839 176.117 -0.261 0.000 1.047 71 I CA -0.501 60.675 61.300 -0.208 0.000 1.374 71 I CB 0.730 38.674 38.000 -0.093 0.000 1.423 71 I HN 0.597 nan 8.210 nan 0.000 0.549 72 E N 3.174 123.325 120.200 -0.082 0.000 2.284 72 E HA 0.478 4.829 4.350 0.001 0.000 0.255 72 E C 0.070 176.744 176.600 0.124 0.000 1.052 72 E CA -0.608 55.804 56.400 0.020 0.000 0.904 72 E CB 1.576 31.432 29.700 0.261 0.000 1.217 72 E HN 0.863 nan 8.360 nan 0.000 0.438 73 G N -0.632 108.283 108.800 0.191 0.000 2.580 73 G HA2 0.334 4.295 3.960 0.001 0.000 0.278 73 G HA3 0.334 4.295 3.960 0.001 0.000 0.278 73 G C 0.458 175.467 174.900 0.181 0.000 1.212 73 G CA 0.249 45.500 45.100 0.252 0.000 0.939 73 G HN 0.415 nan 8.290 nan 0.000 0.513 74 A N -0.726 122.135 122.820 0.069 0.000 2.238 74 A HA 0.469 4.789 4.320 0.001 0.000 0.208 74 A C 1.955 179.493 177.584 -0.075 0.000 1.177 74 A CA 1.420 53.388 52.037 -0.115 0.000 0.804 74 A CB -1.055 17.391 19.000 -0.924 0.000 0.823 74 A HN 2.390 nan 8.150 nan 0.000 0.482 75 G N 0.529 109.339 108.800 0.016 0.000 2.634 75 G HA2 -0.364 3.597 3.960 0.001 0.000 0.309 75 G HA3 -0.364 3.597 3.960 0.001 0.000 0.309 75 G C 0.015 174.947 174.900 0.053 0.000 1.265 75 G CA 0.522 45.640 45.100 0.031 0.000 0.998 75 G HN 0.906 nan 8.290 nan 0.000 0.551 76 D N 0.011 120.441 120.400 0.051 0.000 2.316 76 D HA 0.433 5.073 4.640 0.001 0.000 0.245 76 D C 1.074 177.465 176.300 0.151 0.000 1.171 76 D CA -0.369 53.705 54.000 0.124 0.000 0.856 76 D CB 0.367 41.224 40.800 0.095 0.000 1.090 76 D HN 0.380 nan 8.370 nan 0.000 0.476 77 Y N 2.585 123.022 120.300 0.228 0.000 2.274 77 Y HA -0.130 4.420 4.550 0.000 0.000 0.290 77 Y C 2.064 178.151 175.900 0.311 0.000 1.145 77 Y CA 0.962 59.273 58.100 0.353 0.000 1.203 77 Y CB 0.117 38.774 38.460 0.329 0.000 0.984 77 Y HN 0.501 nan 8.280 nan 0.000 0.533 78 L N -1.375 120.055 121.223 0.346 0.000 2.044 78 L HA -0.103 4.237 4.340 0.001 0.000 0.205 78 L C 2.443 179.421 176.870 0.181 0.000 1.075 78 L CA 1.475 56.456 54.840 0.235 0.000 0.747 78 L CB -0.742 41.418 42.059 0.169 0.000 0.903 78 L HN 0.313 nan 8.230 nan 0.000 0.435 79 G N -1.584 107.294 108.800 0.130 0.000 2.403 79 G HA2 -0.175 3.786 3.960 0.001 0.000 0.216 79 G HA3 -0.175 3.786 3.960 0.001 0.000 0.216 79 G C 1.407 176.347 174.900 0.065 0.000 1.154 79 G CA 1.069 46.220 45.100 0.084 0.000 0.784 79 G HN 0.375 nan 8.290 nan 0.000 0.538 80 T N -0.965 113.554 114.554 -0.058 0.000 3.031 80 T HA 0.111 4.461 4.350 0.001 0.000 0.254 80 T C 1.600 176.128 174.700 -0.286 0.000 1.060 80 T CA 0.723 62.617 62.100 -0.344 0.000 1.135 80 T CB -0.027 68.322 68.868 -0.866 0.000 0.896 80 T HN 0.331 nan 8.240 nan 0.000 0.472 81 Y N -0.118 120.348 120.300 0.275 0.000 2.441 81 Y HA 0.485 5.035 4.550 0.000 0.000 0.266 81 Y C 1.906 177.968 175.900 0.270 0.000 1.093 81 Y CA -0.434 57.852 58.100 0.310 0.000 1.246 81 Y CB 0.426 39.082 38.460 0.327 0.000 1.262 81 Y HN 0.269 nan 8.280 nan 0.000 0.518 82 G N 0.517 109.526 108.800 0.349 0.000 2.175 82 G HA2 -0.119 3.841 3.960 0.001 0.000 0.244 82 G HA3 -0.119 3.841 3.960 0.001 0.000 0.244 82 G C 0.231 175.262 174.900 0.219 0.000 0.982 82 G CA -0.017 45.234 45.100 0.251 0.000 0.641 82 G HN 0.623 nan 8.290 nan 0.000 0.527 83 A N 0.017 123.001 122.820 0.274 0.000 2.301 83 A HA 0.923 5.244 4.320 0.001 0.000 0.312 83 A C 0.466 178.106 177.584 0.092 0.000 1.182 83 A CA 0.756 52.856 52.037 0.106 0.000 0.826 83 A CB 1.151 20.154 19.000 0.006 0.000 1.134 83 A HN 1.946 nan 8.150 nan 0.000 0.501 84 S N 0.815 116.504 115.700 -0.018 0.000 2.651 84 S HA 0.856 5.326 4.470 0.001 0.000 0.279 84 S C -0.342 174.221 174.600 -0.060 0.000 1.148 84 S CA -0.476 57.722 58.200 -0.003 0.000 0.837 84 S CB 1.734 64.955 63.200 0.036 0.000 1.138 84 S HN 0.849 nan 8.310 nan 0.000 0.478 85 T N 0.144 114.678 114.554 -0.033 0.000 2.742 85 T HA 0.858 5.209 4.350 0.001 0.000 0.282 85 T C -1.454 173.242 174.700 -0.006 0.000 1.025 85 T CA -0.250 61.826 62.100 -0.039 0.000 1.020 85 T CB 1.566 70.403 68.868 -0.052 0.000 1.317 85 T HN 1.347 nan 8.240 nan 0.000 0.538 86 S N -0.177 115.526 115.700 0.005 0.000 2.523 86 S HA 0.466 4.936 4.470 0.001 0.000 0.335 86 S C 0.238 174.852 174.600 0.024 0.000 0.817 86 S CA 0.733 58.943 58.200 0.016 0.000 0.800 86 S CB -0.382 62.826 63.200 0.014 0.000 1.106 86 S HN 1.765 nan 8.310 nan 0.000 0.490 87 G N 5.097 113.915 108.800 0.030 0.000 2.601 87 G HA2 -0.309 3.652 3.960 0.001 0.000 0.306 87 G HA3 -0.309 3.652 3.960 0.001 0.000 0.306 87 G C 0.075 175.006 174.900 0.051 0.000 1.172 87 G CA 1.275 46.398 45.100 0.038 0.000 0.966 87 G HN 1.512 nan 8.290 nan 0.000 0.542 88 D N 1.158 121.595 120.400 0.062 0.000 2.593 88 D HA 0.621 5.262 4.640 0.001 0.000 0.241 88 D C 0.492 176.839 176.300 0.079 0.000 1.257 88 D CA 0.899 54.952 54.000 0.088 0.000 0.828 88 D CB 0.026 40.892 40.800 0.109 0.000 1.049 88 D HN 1.192 nan 8.370 nan 0.000 0.490 89 A N 0.559 123.409 122.820 0.051 0.000 2.331 89 A HA 0.648 4.968 4.320 0.001 0.000 0.320 89 A C -1.166 176.421 177.584 0.005 0.000 1.138 89 A CA -0.890 51.168 52.037 0.035 0.000 0.790 89 A CB 1.108 20.121 19.000 0.021 0.000 1.206 89 A HN 0.267 nan 8.150 nan 0.000 0.470 90 L N 2.946 124.171 121.223 0.004 0.000 2.442 90 L HA 0.508 4.848 4.340 0.001 0.000 0.261 90 L C -0.300 176.543 176.870 -0.045 0.000 1.000 90 L CA 0.272 55.075 54.840 -0.063 0.000 0.882 90 L CB 1.474 43.463 42.059 -0.116 0.000 1.207 90 L HN 0.604 nan 8.230 nan 0.000 0.443 91 T N 5.139 119.645 114.554 -0.081 0.000 2.909 91 T HA 0.619 4.969 4.350 0.001 0.000 0.289 91 T C -0.287 174.365 174.700 -0.080 0.000 1.005 91 T CA -0.100 61.949 62.100 -0.085 0.000 1.084 91 T CB 0.957 69.791 68.868 -0.057 0.000 0.975 91 T HN 0.432 nan 8.240 nan 0.000 0.509 92 L N 2.515 123.710 121.223 -0.047 0.000 2.415 92 L HA 0.472 4.812 4.340 0.001 0.000 0.268 92 L C 0.121 177.056 176.870 0.107 0.000 0.984 92 L CA -0.779 54.088 54.840 0.044 0.000 0.853 92 L CB 1.494 43.621 42.059 0.113 0.000 1.215 92 L HN 0.430 nan 8.230 nan 0.000 0.419 93 K N 0.632 121.120 120.400 0.148 0.000 2.168 93 K HA 0.187 4.507 4.320 0.001 0.000 0.258 93 K C 0.603 177.385 176.600 0.302 0.000 1.010 93 K CA -0.284 56.116 56.287 0.188 0.000 0.929 93 K CB 0.859 33.454 32.500 0.158 0.000 0.998 93 K HN 0.394 nan 8.250 nan 0.000 0.479 94 F N 1.986 122.017 119.950 0.136 0.000 2.187 94 F HA 0.076 4.603 4.527 0.001 0.000 0.295 94 F C 0.173 176.083 175.800 0.183 0.000 1.091 94 F CA 0.560 58.662 58.000 0.170 0.000 1.308 94 F CB 0.479 39.565 39.000 0.143 0.000 1.030 94 F HN 0.108 nan 8.300 nan 0.000 0.487 95 V N 0.133 120.063 119.914 0.025 0.000 2.876 95 V HA 0.430 4.551 4.120 0.001 0.000 0.312 95 V C -0.588 175.475 176.094 -0.050 0.000 1.085 95 V CA -0.392 61.829 62.300 -0.130 0.000 0.945 95 V CB 1.683 33.370 31.823 -0.227 0.000 1.017 95 V HN 0.225 nan 8.190 nan 0.000 0.428 96 T N -0.556 113.907 114.554 -0.150 0.000 2.930 96 T HA 0.459 4.810 4.350 0.001 0.000 0.313 96 T C -0.044 174.308 174.700 -0.579 0.000 1.019 96 T CA -0.738 61.197 62.100 -0.274 0.000 1.004 96 T CB 1.303 70.058 68.868 -0.188 0.000 0.987 96 T HN 0.508 nan 8.240 nan 0.000 0.456 97 K N 1.354 121.565 120.400 -0.315 0.000 2.487 97 K HA 0.086 4.407 4.320 0.001 0.000 0.192 97 K C 0.793 177.288 176.600 -0.176 0.000 1.027 97 K CA -0.106 56.032 56.287 -0.249 0.000 1.054 97 K CB -0.455 31.974 32.500 -0.118 0.000 0.824 97 K HN 0.894 nan 8.250 nan 0.000 0.510 98 H N -0.082 118.971 119.070 -0.028 0.000 3.114 98 H HA -0.164 4.392 4.556 0.001 0.000 0.371 98 H C 0.705 175.977 175.328 -0.092 0.000 1.394 98 H CA 1.018 57.042 56.048 -0.040 0.000 1.371 98 H CB 0.060 29.813 29.762 -0.015 0.000 1.300 98 H HN 0.135 nan 8.280 nan 0.000 0.580 99 E N -0.169 120.054 120.200 0.038 0.000 2.187 99 E HA -0.235 4.116 4.350 0.001 0.000 0.199 99 E C 0.451 176.692 176.600 -0.598 0.000 1.004 99 E CA 1.878 58.087 56.400 -0.318 0.000 0.813 99 E CB -0.155 29.306 29.700 -0.398 0.000 0.736 99 E HN 0.715 nan 8.360 nan 0.000 0.468 100 Y N -1.467 118.803 120.300 -0.050 0.000 2.675 100 Y HA 0.326 4.877 4.550 0.001 0.000 0.248 100 Y C 0.805 176.692 175.900 -0.022 0.000 1.161 100 Y CA -0.227 57.814 58.100 -0.099 0.000 1.203 100 Y CB 1.765 40.088 38.460 -0.227 0.000 1.262 100 Y HN 0.029 nan 8.280 nan 0.000 0.544 101 G N -0.650 108.342 108.800 0.320 0.000 2.619 101 G HA2 0.436 4.396 3.960 0.001 0.000 0.146 101 G HA3 0.436 4.396 3.960 0.001 0.000 0.146 101 G C -1.030 173.973 174.900 0.171 0.000 1.192 101 G CA -0.398 44.884 45.100 0.304 0.000 1.063 101 G HN -0.191 nan 8.290 nan 0.000 0.538 102 T N 0.745 115.326 114.554 0.045 0.000 3.746 102 T HA 0.244 4.595 4.350 0.001 0.000 0.254 102 T C -0.773 173.855 174.700 -0.120 0.000 0.628 102 T CA -0.623 61.371 62.100 -0.177 0.000 1.163 102 T CB 0.445 69.259 68.868 -0.091 0.000 1.083 102 T HN 0.678 nan 8.240 nan 0.000 0.521 103 N N 1.355 119.947 118.700 -0.179 0.000 2.518 103 N HA 0.458 5.199 4.740 0.001 0.000 0.266 103 N C -0.632 174.885 175.510 0.011 0.000 1.196 103 N CA -0.093 52.991 53.050 0.057 0.000 0.947 103 N CB 0.670 39.316 38.487 0.265 0.000 1.098 103 N HN 0.285 nan 8.380 nan 0.000 0.450 104 V N 2.568 122.526 119.914 0.073 0.000 2.462 104 V HA 0.727 4.847 4.120 0.001 0.000 0.288 104 V C 0.647 176.905 176.094 0.272 0.000 1.020 104 V CA 0.003 62.301 62.300 -0.003 0.000 0.857 104 V CB 0.251 32.022 31.823 -0.085 0.000 1.013 104 V HN 1.088 nan 8.190 nan 0.000 0.431 105 G N 4.416 113.465 108.800 0.414 0.000 2.698 105 G HA2 0.271 4.231 3.960 0.001 0.000 0.225 105 G HA3 0.271 4.231 3.960 0.001 0.000 0.225 105 G C -0.292 175.050 174.900 0.736 0.000 1.345 105 G CA 0.217 45.714 45.100 0.661 0.000 0.871 105 G HN 2.240 nan 8.290 nan 0.000 0.540 106 S N -1.635 114.444 115.700 0.632 0.000 2.622 106 S HA 0.704 5.174 4.470 0.001 0.000 0.275 106 S C -1.067 173.459 174.600 -0.123 0.000 1.112 106 S CA 0.247 58.530 58.200 0.139 0.000 0.837 106 S CB 1.925 65.218 63.200 0.156 0.000 1.082 106 S HN 1.804 nan 8.310 nan 0.000 0.456 107 R N 1.146 121.206 120.500 -0.734 0.000 2.518 107 R HA 0.657 4.997 4.340 0.001 0.000 0.296 107 R C -2.019 173.733 176.300 -0.914 0.000 1.080 107 R CA -0.466 55.246 56.100 -0.647 0.000 0.922 107 R CB 0.728 30.605 30.300 -0.705 0.000 1.184 107 R HN 0.589 nan 8.270 nan 0.000 0.445 108 F N 2.623 122.098 119.950 -0.792 0.000 2.509 108 F HA 0.555 5.083 4.527 0.000 0.000 0.334 108 F C -0.681 174.591 175.800 -0.880 0.000 1.060 108 F CA -0.333 57.206 58.000 -0.768 0.000 0.997 108 F CB 1.359 40.107 39.000 -0.419 0.000 1.271 108 F HN 0.330 nan 8.300 nan 0.000 0.488 109 Y N 1.804 121.982 120.300 -0.204 0.000 2.386 109 Y HA 0.405 4.955 4.550 0.000 0.000 0.334 109 Y C -0.812 174.986 175.900 -0.170 0.000 1.002 109 Y CA -1.436 56.470 58.100 -0.322 0.000 1.068 109 Y CB 1.274 39.390 38.460 -0.574 0.000 1.203 109 Y HN 0.262 nan 8.280 nan 0.000 0.443 110 L N 4.938 126.154 121.223 -0.012 0.000 2.456 110 L HA 0.318 4.658 4.340 0.001 0.000 0.277 110 L C -0.399 176.522 176.870 0.084 0.000 1.124 110 L CA 0.344 55.188 54.840 0.008 0.000 0.880 110 L CB -0.243 41.770 42.059 -0.076 0.000 1.192 110 L HN 0.593 nan 8.230 nan 0.000 0.463 111 M N 4.238 123.915 119.600 0.128 0.000 2.409 111 M HA 0.273 4.753 4.480 0.001 0.000 0.329 111 M C -0.146 176.242 176.300 0.147 0.000 1.180 111 M CA -0.477 54.919 55.300 0.160 0.000 1.053 111 M CB 1.443 34.088 32.600 0.075 0.000 1.586 111 M HN 0.694 nan 8.290 nan 0.000 0.461 112 N N 1.216 119.983 118.700 0.112 0.000 2.518 112 N HA 0.563 5.303 4.740 0.001 0.000 0.254 112 N C -0.235 175.302 175.510 0.044 0.000 0.979 112 N CA 0.023 53.125 53.050 0.086 0.000 0.930 112 N CB 1.162 39.681 38.487 0.054 0.000 1.152 112 N HN 0.919 nan 8.380 nan 0.000 0.505 113 G N 3.289 112.120 108.800 0.051 0.000 2.877 113 G HA2 -0.202 3.759 3.960 0.001 0.000 0.279 113 G HA3 -0.202 3.759 3.960 0.001 0.000 0.279 113 G C -1.996 172.928 174.900 0.041 0.000 1.431 113 G CA -0.305 44.815 45.100 0.033 0.000 0.883 113 G HN 0.524 nan 8.290 nan 0.000 0.547 114 P HA 0.201 nan 4.420 nan 0.000 0.245 114 P C 0.459 177.775 177.300 0.026 0.000 1.203 114 P CA 1.146 64.298 63.100 0.086 0.000 0.792 114 P CB 0.488 32.230 31.700 0.070 0.000 0.997 115 D N -0.453 119.927 120.400 -0.033 0.000 2.433 115 D HA 0.105 4.745 4.640 0.001 0.000 0.211 115 D C 0.370 176.581 176.300 -0.149 0.000 1.114 115 D CA 0.460 54.410 54.000 -0.085 0.000 0.837 115 D CB 0.509 41.275 40.800 -0.057 0.000 0.984 115 D HN 0.282 nan 8.370 nan 0.000 0.505 116 K N 0.021 120.337 120.400 -0.139 0.000 2.469 116 K HA 0.355 4.675 4.320 0.001 0.000 0.254 116 K C -1.071 175.464 176.600 -0.110 0.000 0.939 116 K CA -0.898 55.295 56.287 -0.157 0.000 0.812 116 K CB 1.658 34.112 32.500 -0.077 0.000 1.301 116 K HN -0.260 nan 8.250 nan 0.000 0.433 117 Y N 1.035 121.289 120.300 -0.077 0.000 2.301 117 Y HA 0.100 4.651 4.550 0.001 0.000 0.325 117 Y C 0.721 176.577 175.900 -0.074 0.000 1.203 117 Y CA -0.546 57.505 58.100 -0.081 0.000 1.255 117 Y CB 0.933 39.322 38.460 -0.118 0.000 1.232 117 Y HN 0.553 nan 8.280 nan 0.000 0.501 118 Q N 2.696 122.568 119.800 0.120 0.000 2.255 118 Q HA 0.130 4.470 4.340 0.001 0.000 0.280 118 Q C -0.936 174.975 176.000 -0.149 0.000 1.068 118 Q CA 0.190 55.963 55.803 -0.051 0.000 0.911 118 Q CB 0.183 28.877 28.738 -0.073 0.000 1.157 118 Q HN 0.406 nan 8.270 nan 0.000 0.380 119 M N 3.638 123.094 119.600 -0.241 0.000 2.359 119 M HA 0.450 4.931 4.480 0.001 0.000 0.322 119 M C -0.734 175.247 176.300 -0.531 0.000 1.166 119 M CA -0.153 55.017 55.300 -0.216 0.000 1.067 119 M CB 0.449 32.982 32.600 -0.112 0.000 1.523 119 M HN 0.570 nan 8.290 nan 0.000 0.467 120 F N 0.809 120.628 119.950 -0.218 0.000 2.588 120 F HA 0.317 4.844 4.527 0.001 0.000 0.318 120 F C 0.062 175.701 175.800 -0.268 0.000 1.155 120 F CA -0.840 56.920 58.000 -0.400 0.000 0.967 120 F CB 1.485 39.982 39.000 -0.839 0.000 1.236 120 F HN 0.455 nan 8.300 nan 0.000 0.455 121 N N 5.197 123.977 118.700 0.132 0.000 2.918 121 N HA 0.137 4.878 4.740 0.001 0.000 0.247 121 N C 0.880 176.572 175.510 0.304 0.000 1.117 121 N CA -0.170 52.971 53.050 0.152 0.000 1.005 121 N CB 0.998 39.575 38.487 0.149 0.000 1.297 121 N HN 0.464 nan 8.380 nan 0.000 0.513 122 L N 0.965 122.293 121.223 0.174 0.000 1.991 122 L HA -0.148 4.193 4.340 0.001 0.000 0.221 122 L C 1.390 178.478 176.870 0.363 0.000 1.079 122 L CA 1.442 56.464 54.840 0.303 0.000 0.778 122 L CB -1.053 40.854 42.059 -0.253 0.000 0.893 122 L HN 0.567 nan 8.230 nan 0.000 0.437 123 M N 0.171 119.905 119.600 0.224 0.000 2.336 123 M HA 0.276 4.756 4.480 0.001 0.000 0.371 123 M C 1.147 177.553 176.300 0.177 0.000 1.542 123 M CA 1.223 56.647 55.300 0.207 0.000 0.959 123 M CB -0.041 32.644 32.600 0.143 0.000 2.033 123 M HN 0.447 nan 8.290 nan 0.000 0.472 124 G N 3.147 112.042 108.800 0.158 0.000 2.225 124 G HA2 -0.299 3.661 3.960 0.001 0.000 0.254 124 G HA3 -0.299 3.661 3.960 0.001 0.000 0.254 124 G C -0.133 174.800 174.900 0.055 0.000 0.988 124 G CA 0.401 45.560 45.100 0.099 0.000 0.625 124 G HN 0.758 nan 8.290 nan 0.000 0.527 125 N N 0.130 118.866 118.700 0.061 0.000 2.381 125 N HA 0.597 5.337 4.740 0.001 0.000 0.294 125 N C -0.763 174.632 175.510 -0.192 0.000 1.216 125 N CA -0.488 52.471 53.050 -0.152 0.000 0.803 125 N CB 1.537 39.818 38.487 -0.344 0.000 1.372 125 N HN 0.553 nan 8.380 nan 0.000 0.500 126 E N 0.779 120.709 120.200 -0.451 0.000 2.317 126 E HA 0.506 4.857 4.350 0.001 0.000 0.270 126 E C -1.675 174.754 176.600 -0.286 0.000 0.885 126 E CA -0.880 55.319 56.400 -0.335 0.000 0.760 126 E CB 1.958 31.526 29.700 -0.220 0.000 1.227 126 E HN 0.426 nan 8.360 nan 0.000 0.434 127 L N 2.138 123.424 121.223 0.104 0.000 2.325 127 L HA 0.852 5.192 4.340 0.001 0.000 0.278 127 L C -1.345 175.582 176.870 0.095 0.000 1.023 127 L CA -0.378 54.655 54.840 0.322 0.000 0.811 127 L CB 1.713 44.099 42.059 0.545 0.000 1.249 127 L HN 0.796 nan 8.230 nan 0.000 0.431 128 A N 4.154 127.054 122.820 0.134 0.000 2.386 128 A HA 0.835 5.156 4.320 0.001 0.000 0.311 128 A C -1.213 176.431 177.584 0.100 0.000 1.068 128 A CA -0.454 51.596 52.037 0.021 0.000 0.743 128 A CB 0.975 20.087 19.000 0.187 0.000 1.258 128 A HN 0.805 nan 8.150 nan 0.000 0.429 129 F N -0.356 119.529 119.950 -0.109 0.000 2.664 129 F HA 0.809 5.336 4.527 0.001 0.000 0.317 129 F C -1.270 174.426 175.800 -0.173 0.000 1.108 129 F CA -1.158 56.783 58.000 -0.098 0.000 0.957 129 F CB 1.212 40.131 39.000 -0.135 0.000 1.365 129 F HN 0.347 nan 8.300 nan 0.000 0.475 130 D N 1.347 121.829 120.400 0.137 0.000 2.198 130 D HA 0.575 5.215 4.640 0.001 0.000 0.247 130 D C -1.065 175.253 176.300 0.031 0.000 1.010 130 D CA -0.382 53.571 54.000 -0.078 0.000 0.880 130 D CB 2.416 43.184 40.800 -0.053 0.000 1.209 130 D HN 0.640 nan 8.370 nan 0.000 0.451 131 V N 0.539 120.253 119.914 -0.334 0.000 3.007 131 V HA 0.473 4.593 4.120 0.001 0.000 0.311 131 V C -1.836 174.066 176.094 -0.320 0.000 1.120 131 V CA -0.689 61.475 62.300 -0.227 0.000 0.980 131 V CB 2.567 34.386 31.823 -0.006 0.000 1.033 131 V HN 0.464 nan 8.190 nan 0.000 0.429 132 D N 4.462 124.726 120.400 -0.226 0.000 2.408 132 D HA 0.355 4.995 4.640 0.001 0.000 0.261 132 D C -0.104 176.103 176.300 -0.156 0.000 1.190 132 D CA -0.298 53.625 54.000 -0.129 0.000 0.910 132 D CB 1.204 41.936 40.800 -0.114 0.000 1.097 132 D HN 0.519 nan 8.370 nan 0.000 0.522 133 L N 1.745 122.936 121.223 -0.052 0.000 2.848 133 L HA 0.325 4.666 4.340 0.001 0.000 0.240 133 L C 1.776 178.574 176.870 -0.121 0.000 1.232 133 L CA -0.344 54.445 54.840 -0.085 0.000 1.031 133 L CB -0.168 41.917 42.059 0.044 0.000 1.338 133 L HN 0.169 nan 8.230 nan 0.000 0.509 134 S N -0.944 114.679 115.700 -0.128 0.000 2.419 134 S HA -0.222 4.248 4.470 0.001 0.000 0.233 134 S C 1.881 176.348 174.600 -0.222 0.000 1.016 134 S CA 1.641 59.731 58.200 -0.183 0.000 0.974 134 S CB -0.661 62.451 63.200 -0.146 0.000 0.786 134 S HN 0.665 nan 8.310 nan 0.000 0.492 135 T N 0.448 114.891 114.554 -0.187 0.000 3.081 135 T HA 0.246 4.596 4.350 0.001 0.000 0.250 135 T C 0.266 174.829 174.700 -0.228 0.000 1.100 135 T CA 0.071 62.059 62.100 -0.186 0.000 1.038 135 T CB -0.396 68.406 68.868 -0.109 0.000 0.962 135 T HN 0.201 nan 8.240 nan 0.000 0.516 136 V N 3.299 123.074 119.914 -0.233 0.000 2.356 136 V HA 0.398 4.519 4.120 0.001 0.000 0.258 136 V C 0.340 176.282 176.094 -0.254 0.000 1.065 136 V CA -0.864 61.286 62.300 -0.250 0.000 0.935 136 V CB 0.408 32.112 31.823 -0.199 0.000 1.061 136 V HN 0.380 nan 8.190 nan 0.000 0.484 137 E N 1.407 121.440 120.200 -0.279 0.000 2.561 137 E HA 0.321 4.672 4.350 0.001 0.000 0.254 137 E C 0.089 176.676 176.600 -0.022 0.000 1.213 137 E CA -0.667 55.646 56.400 -0.145 0.000 0.995 137 E CB 1.170 30.617 29.700 -0.421 0.000 1.233 137 E HN 0.657 nan 8.360 nan 0.000 0.556 138 c N 0.675 119.294 118.600 0.031 0.000 2.275 138 c HA 0.124 4.694 4.570 0.001 0.000 0.391 138 c C 1.699 175.709 174.090 -0.134 0.000 1.503 138 c CA 1.494 57.734 56.329 -0.149 0.000 1.502 138 c CB -1.565 40.777 42.510 -0.279 0.000 2.529 138 c HN 0.971 nan 8.230 nan 0.000 0.588 139 G N 2.964 111.653 108.800 -0.185 0.000 2.212 139 G HA2 -0.269 3.692 3.960 0.001 0.000 0.266 139 G HA3 -0.269 3.692 3.960 0.001 0.000 0.266 139 G C -0.055 174.697 174.900 -0.247 0.000 0.978 139 G CA 0.347 45.339 45.100 -0.180 0.000 0.632 139 G HN 0.755 nan 8.290 nan 0.000 0.537 140 I N 1.071 121.455 120.570 -0.311 0.000 2.339 140 I HA 0.346 4.516 4.170 0.001 0.000 0.290 140 I C -0.095 175.764 176.117 -0.431 0.000 0.994 140 I CA -1.042 59.996 61.300 -0.437 0.000 1.191 140 I CB 1.561 39.171 38.000 -0.650 0.000 1.343 140 I HN 0.043 nan 8.210 nan 0.000 0.458 141 N N 4.114 122.451 118.700 -0.606 0.000 2.479 141 N HA 0.301 5.041 4.740 0.001 0.000 0.285 141 N C -0.708 174.744 175.510 -0.097 0.000 1.075 141 N CA -0.359 52.378 53.050 -0.522 0.000 0.967 141 N CB 1.273 39.149 38.487 -1.018 0.000 1.137 141 N HN 0.576 nan 8.380 nan 0.000 0.472 142 S N 1.459 117.224 115.700 0.108 0.000 2.406 142 S HA 0.758 5.229 4.470 0.001 0.000 0.224 142 S C -0.592 174.436 174.600 0.714 0.000 1.426 142 S CA -0.942 57.483 58.200 0.374 0.000 1.179 142 S CB 0.459 63.725 63.200 0.111 0.000 1.042 142 S HN 0.631 nan 8.310 nan 0.000 0.479 143 A N 3.482 126.741 122.820 0.733 0.000 2.343 143 A HA 0.757 5.078 4.320 0.001 0.000 0.316 143 A C -0.674 177.106 177.584 0.327 0.000 1.104 143 A CA -0.747 51.647 52.037 0.594 0.000 0.768 143 A CB 1.119 20.460 19.000 0.568 0.000 1.213 143 A HN 0.867 nan 8.150 nan 0.000 0.456 144 L N 3.539 124.804 121.223 0.070 0.000 2.282 144 L HA 0.742 5.082 4.340 0.001 0.000 0.288 144 L C -1.037 175.845 176.870 0.020 0.000 1.033 144 L CA -0.582 54.024 54.840 -0.391 0.000 0.807 144 L CB 0.912 42.353 42.059 -1.030 0.000 1.209 144 L HN 0.881 nan 8.230 nan 0.000 0.423 145 Y N 1.911 122.034 120.300 -0.294 0.000 2.705 145 Y HA 0.586 5.136 4.550 0.001 0.000 0.332 145 Y C -1.521 174.143 175.900 -0.394 0.000 1.221 145 Y CA -1.802 56.169 58.100 -0.216 0.000 1.059 145 Y CB 0.766 39.240 38.460 0.024 0.000 1.298 145 Y HN 0.243 nan 8.280 nan 0.000 0.459 146 F N 0.918 120.957 119.950 0.148 0.000 2.440 146 F HA 0.779 5.307 4.527 0.000 0.000 0.328 146 F C -0.250 175.637 175.800 0.146 0.000 1.070 146 F CA -1.121 56.897 58.000 0.030 0.000 1.011 146 F CB 2.260 41.240 39.000 -0.034 0.000 1.226 146 F HN 0.460 nan 8.300 nan 0.000 0.491 147 V N -0.597 119.481 119.914 0.272 0.000 2.882 147 V HA 0.615 4.735 4.120 0.001 0.000 0.295 147 V C -0.661 175.488 176.094 0.090 0.000 1.273 147 V CA -1.495 60.906 62.300 0.168 0.000 0.949 147 V CB 0.892 32.825 31.823 0.182 0.000 1.071 147 V HN 0.952 nan 8.190 nan 0.000 0.432 148 A N 5.211 128.062 122.820 0.052 0.000 2.981 148 A HA 0.587 4.907 4.320 0.001 0.000 0.280 148 A C 0.099 177.748 177.584 0.109 0.000 1.797 148 A CA 0.091 52.162 52.037 0.057 0.000 1.456 148 A CB -0.662 18.363 19.000 0.041 0.000 1.057 148 A HN 0.929 nan 8.150 nan 0.000 0.602 149 M N 1.332 120.993 119.600 0.101 0.000 2.249 149 M HA 0.187 4.668 4.480 0.001 0.000 0.351 149 M C 0.247 176.582 176.300 0.059 0.000 1.180 149 M CA 0.138 55.511 55.300 0.122 0.000 1.127 149 M CB 0.872 33.495 32.600 0.039 0.000 1.546 149 M HN 0.629 nan 8.290 nan 0.000 0.461 150 E N 2.161 122.339 120.200 -0.036 0.000 2.376 150 E HA -0.082 4.269 4.350 0.001 0.000 0.266 150 E C 0.538 177.126 176.600 -0.019 0.000 1.009 150 E CA -0.078 56.279 56.400 -0.071 0.000 0.902 150 E CB 0.568 30.158 29.700 -0.183 0.000 0.972 150 E HN 0.642 nan 8.360 nan 0.000 0.439 151 E N 2.844 123.032 120.200 -0.020 0.000 2.147 151 E HA -0.271 4.080 4.350 0.001 0.000 0.199 151 E C 0.933 177.447 176.600 -0.144 0.000 1.005 151 E CA 1.727 58.117 56.400 -0.018 0.000 0.810 151 E CB 0.162 29.838 29.700 -0.039 0.000 0.736 151 E HN 0.595 nan 8.360 nan 0.000 0.460 152 D N -1.814 118.485 120.400 -0.168 0.000 2.340 152 D HA 0.069 4.710 4.640 0.001 0.000 0.217 152 D C 1.055 177.206 176.300 -0.248 0.000 1.081 152 D CA 0.717 54.579 54.000 -0.230 0.000 0.842 152 D CB 0.353 41.061 40.800 -0.154 0.000 0.934 152 D HN 0.272 nan 8.370 nan 0.000 0.511 153 G N -0.244 108.431 108.800 -0.209 0.000 2.132 153 G HA2 -0.103 3.857 3.960 0.001 0.000 0.234 153 G HA3 -0.103 3.857 3.960 0.001 0.000 0.234 153 G C 1.169 176.006 174.900 -0.104 0.000 0.989 153 G CA 0.319 45.342 45.100 -0.129 0.000 0.676 153 G HN 1.307 nan 8.290 nan 0.000 0.522 154 G N -0.822 107.888 108.800 -0.149 0.000 2.184 154 G HA2 -0.355 3.606 3.960 0.001 0.000 0.264 154 G HA3 -0.355 3.606 3.960 0.001 0.000 0.264 154 G C 1.367 176.241 174.900 -0.043 0.000 0.975 154 G CA 1.257 46.286 45.100 -0.119 0.000 0.642 154 G HN 1.024 nan 8.290 nan 0.000 0.536 155 M N -0.206 119.359 119.600 -0.058 0.000 2.146 155 M HA -0.209 4.272 4.480 0.001 0.000 0.256 155 M C 2.839 179.106 176.300 -0.055 0.000 1.075 155 M CA 2.789 58.063 55.300 -0.042 0.000 1.082 155 M CB -0.314 32.248 32.600 -0.062 0.000 1.355 155 M HN 0.658 nan 8.290 nan 0.000 0.402 156 A N -2.017 120.742 122.820 -0.102 0.000 1.878 156 A HA -0.051 4.269 4.320 0.001 0.000 0.213 156 A C 2.106 179.592 177.584 -0.164 0.000 1.192 156 A CA 1.518 53.488 52.037 -0.111 0.000 0.619 156 A CB -0.567 18.366 19.000 -0.112 0.000 0.837 156 A HN 0.404 nan 8.150 nan 0.000 0.446 157 S N -1.491 114.029 115.700 -0.301 0.000 2.522 157 S HA 0.095 4.565 4.470 0.001 0.000 0.227 157 S C -0.690 173.517 174.600 -0.654 0.000 0.986 157 S CA 0.360 58.259 58.200 -0.501 0.000 0.929 157 S CB -0.251 62.544 63.200 -0.674 0.000 0.769 157 S HN 0.507 nan 8.310 nan 0.000 0.529 158 Y N 0.049 120.324 120.300 -0.041 0.000 2.609 158 Y HA 0.376 4.926 4.550 0.001 0.000 0.350 158 Y C -2.559 173.316 175.900 -0.041 0.000 1.050 158 Y CA -2.796 55.289 58.100 -0.026 0.000 1.290 158 Y CB 0.709 39.159 38.460 -0.015 0.000 1.094 158 Y HN -0.001 nan 8.280 nan 0.000 0.583 159 P HA -0.037 nan 4.420 nan 0.000 0.242 159 P C 1.076 178.383 177.300 0.011 0.000 1.197 159 P CA 0.952 64.063 63.100 0.019 0.000 0.765 159 P CB 0.276 31.979 31.700 0.005 0.000 0.936 160 S N -1.905 113.811 115.700 0.028 0.000 2.478 160 S HA 0.008 4.479 4.470 0.001 0.000 0.222 160 S C 1.149 175.694 174.600 -0.093 0.000 1.008 160 S CA -0.039 58.150 58.200 -0.019 0.000 0.928 160 S CB -0.927 62.277 63.200 0.007 0.000 0.781 160 S HN 0.047 nan 8.310 nan 0.000 0.518 161 N N 2.669 121.326 118.700 -0.072 0.000 2.663 161 N HA 0.155 4.896 4.740 0.001 0.000 0.250 161 N C -0.251 175.215 175.510 -0.073 0.000 1.129 161 N CA -0.209 52.772 53.050 -0.116 0.000 0.995 161 N CB 0.156 38.614 38.487 -0.048 0.000 1.324 161 N HN 0.402 nan 8.380 nan 0.000 0.512 162 Q N 1.333 121.078 119.800 -0.091 0.000 2.211 162 Q HA 0.357 4.698 4.340 0.001 0.000 0.231 162 Q C 0.724 176.710 176.000 -0.022 0.000 0.865 162 Q CA -0.252 55.520 55.803 -0.052 0.000 0.997 162 Q CB 0.797 29.501 28.738 -0.057 0.000 1.101 162 Q HN 0.598 nan 8.270 nan 0.000 0.468 163 A N 0.694 123.509 122.820 -0.009 0.000 1.944 163 A HA 0.576 4.896 4.320 0.001 0.000 0.209 163 A C 1.166 178.857 177.584 0.178 0.000 1.328 163 A CA 0.647 52.756 52.037 0.121 0.000 0.693 163 A CB -0.558 18.482 19.000 0.067 0.000 0.994 163 A HN 0.442 nan 8.150 nan 0.000 0.485 164 G N -2.012 106.821 108.800 0.056 0.000 2.916 164 G HA2 0.161 4.121 3.960 0.001 0.000 0.533 164 G HA3 0.161 4.121 3.960 0.001 0.000 0.533 164 G C 1.072 175.910 174.900 -0.103 0.000 1.516 164 G CA 0.513 45.588 45.100 -0.043 0.000 0.944 164 G HN 1.706 nan 8.290 nan 0.000 0.555 165 A N 0.238 122.839 122.820 -0.366 0.000 2.016 165 A HA -0.321 4.000 4.320 0.001 0.000 0.225 165 A C 2.455 179.826 177.584 -0.355 0.000 1.230 165 A CA 3.052 54.625 52.037 -0.773 0.000 0.678 165 A CB -0.588 17.711 19.000 -1.169 0.000 0.826 165 A HN 1.354 nan 8.150 nan 0.000 0.484 166 R N -2.403 117.954 120.500 -0.239 0.000 2.139 166 R HA -0.163 4.177 4.340 0.001 0.000 0.243 166 R C 0.135 176.228 176.300 -0.345 0.000 1.145 166 R CA 1.612 57.579 56.100 -0.223 0.000 0.976 166 R CB -0.187 29.919 30.300 -0.323 0.000 0.866 166 R HN 0.622 nan 8.270 nan 0.000 0.449 167 Y N -0.613 119.766 120.300 0.131 0.000 2.722 167 Y HA 0.317 4.868 4.550 0.000 0.000 0.314 167 Y C 0.569 176.561 175.900 0.154 0.000 1.008 167 Y CA -0.471 57.717 58.100 0.147 0.000 1.294 167 Y CB 0.888 39.402 38.460 0.090 0.000 1.231 167 Y HN 0.160 nan 8.280 nan 0.000 0.558 168 G N 1.851 110.828 108.800 0.295 0.000 2.396 168 G HA2 -0.301 3.659 3.960 0.001 0.000 0.288 168 G HA3 -0.301 3.659 3.960 0.001 0.000 0.288 168 G C 0.376 175.523 174.900 0.411 0.000 0.926 168 G CA 0.920 46.291 45.100 0.453 0.000 1.211 168 G HN 0.466 nan 8.290 nan 0.000 0.496 169 T N -2.769 111.971 114.554 0.311 0.000 2.910 169 T HA 0.710 5.061 4.350 0.001 0.000 0.279 169 T C 1.401 176.246 174.700 0.242 0.000 0.989 169 T CA 0.104 62.350 62.100 0.244 0.000 0.968 169 T CB 1.897 70.850 68.868 0.142 0.000 1.135 169 T HN 2.004 nan 8.240 nan 0.000 0.562 170 G N 0.324 109.265 108.800 0.235 0.000 2.338 170 G HA2 -0.252 3.708 3.960 0.001 0.000 0.296 170 G HA3 -0.252 3.708 3.960 0.001 0.000 0.296 170 G C -0.196 174.939 174.900 0.392 0.000 1.040 170 G CA 0.261 45.514 45.100 0.254 0.000 1.004 170 G HN 1.032 nan 8.290 nan 0.000 0.509 171 Y N -0.113 120.338 120.300 0.253 0.000 2.546 171 Y HA 0.340 4.890 4.550 0.001 0.000 0.351 171 Y C 0.977 177.026 175.900 0.248 0.000 1.266 171 Y CA -0.421 57.806 58.100 0.213 0.000 1.487 171 Y CB 0.467 39.063 38.460 0.227 0.000 1.365 171 Y HN 1.158 nan 8.280 nan 0.000 0.642 172 c N 4.039 122.292 118.600 -0.579 0.000 3.181 172 c HA 0.771 5.341 4.570 0.001 0.000 0.362 172 c C -1.442 172.157 174.090 -0.818 0.000 1.125 172 c CA -0.367 55.553 56.329 -0.682 0.000 1.265 172 c CB 0.758 42.994 42.510 -0.457 0.000 1.632 172 c HN 1.029 nan 8.230 nan 0.000 0.525 173 D N 1.800 121.819 120.400 -0.635 0.000 2.825 173 D HA 0.678 5.318 4.640 0.001 0.000 0.327 173 D C 0.543 176.667 176.300 -0.292 0.000 1.277 173 D CA -0.045 53.722 54.000 -0.389 0.000 0.950 173 D CB 1.125 41.721 40.800 -0.340 0.000 1.438 173 D HN 0.941 nan 8.370 nan 0.000 0.526 174 A N -1.087 121.599 122.820 -0.223 0.000 2.072 174 A HA -0.031 4.289 4.320 0.001 0.000 0.216 174 A C 1.686 179.216 177.584 -0.090 0.000 1.156 174 A CA 0.794 52.763 52.037 -0.114 0.000 0.701 174 A CB -0.524 18.468 19.000 -0.014 0.000 0.816 174 A HN 0.375 nan 8.150 nan 0.000 0.458 175 Q N -1.016 118.696 119.800 -0.147 0.000 2.046 175 Q HA -0.017 4.323 4.340 0.001 0.000 0.200 175 Q C 0.360 176.327 176.000 -0.055 0.000 0.975 175 Q CA 1.009 56.744 55.803 -0.114 0.000 0.836 175 Q CB -0.900 27.740 28.738 -0.163 0.000 0.896 175 Q HN 0.702 nan 8.270 nan 0.000 0.428 176 c N -0.237 118.313 118.600 -0.084 0.000 3.201 176 c HA 0.067 4.637 4.570 0.001 0.000 0.335 176 c C 0.315 174.379 174.090 -0.043 0.000 0.820 176 c CA -1.082 55.190 56.329 -0.095 0.000 3.111 176 c CB -1.623 40.860 42.510 -0.044 0.000 1.462 176 c HN 0.521 nan 8.230 nan 0.000 0.509 177 A N 4.089 126.850 122.820 -0.098 0.000 2.993 177 A HA 0.192 4.512 4.320 0.001 0.000 0.281 177 A C 1.422 178.962 177.584 -0.074 0.000 1.847 177 A CA 0.427 52.456 52.037 -0.014 0.000 1.470 177 A CB -0.103 18.941 19.000 0.073 0.000 1.028 177 A HN 0.842 nan 8.150 nan 0.000 0.604 178 R N 0.716 121.081 120.500 -0.224 0.000 2.189 178 R HA -0.093 4.247 4.340 0.001 0.000 0.218 178 R C 0.834 176.866 176.300 -0.446 0.000 1.074 178 R CA 1.175 57.087 56.100 -0.313 0.000 0.991 178 R CB 0.041 30.109 30.300 -0.386 0.000 0.883 178 R HN 0.841 nan 8.270 nan 0.000 0.457 179 D N 0.226 120.267 120.400 -0.598 0.000 2.371 179 D HA -0.096 4.545 4.640 0.001 0.000 0.221 179 D C 0.395 176.672 176.300 -0.039 0.000 0.986 179 D CA 0.472 54.220 54.000 -0.420 0.000 0.899 179 D CB -0.034 40.597 40.800 -0.281 0.000 0.902 179 D HN 0.105 nan 8.370 nan 0.000 0.530 180 L N 1.126 122.376 121.223 0.044 0.000 2.281 180 L HA 0.200 4.540 4.340 0.001 0.000 0.285 180 L C 1.402 178.418 176.870 0.243 0.000 1.074 180 L CA -0.396 54.550 54.840 0.176 0.000 0.817 180 L CB 1.271 43.462 42.059 0.219 0.000 1.168 180 L HN -0.052 nan 8.230 nan 0.000 0.434 181 K N 2.486 123.004 120.400 0.198 0.000 2.283 181 K HA -0.025 4.295 4.320 0.001 0.000 0.202 181 K C -0.103 176.545 176.600 0.081 0.000 1.048 181 K CA 1.124 57.477 56.287 0.109 0.000 0.948 181 K CB 0.018 32.233 32.500 -0.475 0.000 0.742 181 K HN 0.162 nan 8.250 nan 0.000 0.458 182 F N 1.198 121.262 119.950 0.191 0.000 2.553 182 F HA 0.277 4.804 4.527 0.001 0.000 0.335 182 F C -0.927 174.953 175.800 0.134 0.000 1.148 182 F CA -1.425 56.667 58.000 0.153 0.000 0.963 182 F CB 1.784 40.861 39.000 0.128 0.000 1.217 182 F HN -0.352 nan 8.300 nan 0.000 0.441 183 V N 1.896 122.018 119.914 0.346 0.000 2.540 183 V HA 0.636 4.756 4.120 0.001 0.000 0.302 183 V C 0.601 176.759 176.094 0.107 0.000 1.035 183 V CA -0.989 61.448 62.300 0.229 0.000 0.873 183 V CB 1.260 33.213 31.823 0.217 0.000 0.992 183 V HN 0.938 nan 8.190 nan 0.000 0.428 184 G N 2.829 111.560 108.800 -0.115 0.000 2.422 184 G HA2 0.045 4.005 3.960 0.001 0.000 0.301 184 G HA3 0.045 4.005 3.960 0.001 0.000 0.301 184 G C 1.316 175.912 174.900 -0.507 0.000 0.981 184 G CA 1.103 45.711 45.100 -0.821 0.000 0.994 184 G HN 2.410 nan 8.290 nan 0.000 0.514 185 G N -1.540 107.183 108.800 -0.129 0.000 2.328 185 G HA2 -0.318 3.642 3.960 0.001 0.000 0.256 185 G HA3 -0.318 3.642 3.960 0.001 0.000 0.256 185 G C 0.661 175.657 174.900 0.159 0.000 1.014 185 G CA 1.229 46.314 45.100 -0.026 0.000 0.620 185 G HN 0.910 nan 8.290 nan 0.000 0.530 186 K N 1.209 121.748 120.400 0.232 0.000 2.174 186 K HA 0.756 5.076 4.320 0.001 0.000 0.275 186 K C 0.525 177.307 176.600 0.303 0.000 1.015 186 K CA 0.125 56.578 56.287 0.277 0.000 0.933 186 K CB 1.287 33.928 32.500 0.235 0.000 1.025 186 K HN 0.691 nan 8.250 nan 0.000 0.463 187 A N 2.640 125.457 122.820 -0.006 0.000 2.366 187 A HA 0.169 4.490 4.320 0.001 0.000 0.272 187 A C 0.805 178.070 177.584 -0.531 0.000 1.135 187 A CA -0.341 51.286 52.037 -0.684 0.000 0.804 187 A CB 0.084 18.410 19.000 -1.123 0.000 1.064 187 A HN 0.633 nan 8.150 nan 0.000 0.499 188 N N 1.383 119.893 118.700 -0.316 0.000 2.521 188 N HA -0.117 4.624 4.740 0.001 0.000 0.188 188 N C 1.495 176.905 175.510 -0.166 0.000 1.146 188 N CA 0.642 53.623 53.050 -0.116 0.000 0.893 188 N CB -0.521 38.135 38.487 0.281 0.000 0.975 188 N HN 0.820 nan 8.380 nan 0.000 0.451 189 I N 1.174 121.236 120.570 -0.848 0.000 2.188 189 I HA -0.323 3.847 4.170 0.001 0.000 0.246 189 I C 0.352 176.189 176.117 -0.466 0.000 1.033 189 I CA 1.506 61.966 61.300 -1.400 0.000 1.307 189 I CB -0.319 36.651 38.000 -1.716 0.000 1.005 189 I HN 0.091 nan 8.210 nan 0.000 0.421 190 E N 1.167 121.151 120.200 -0.360 0.000 2.442 190 E HA 0.124 4.475 4.350 0.001 0.000 0.262 190 E C 1.161 177.731 176.600 -0.050 0.000 1.004 190 E CA 0.789 57.076 56.400 -0.188 0.000 0.928 190 E CB -0.207 29.368 29.700 -0.208 0.000 0.937 190 E HN 0.612 nan 8.360 nan 0.000 0.446 191 G N 3.385 112.184 108.800 -0.002 0.000 2.380 191 G HA2 -0.265 3.695 3.960 0.001 0.000 0.298 191 G HA3 -0.265 3.695 3.960 0.001 0.000 0.298 191 G C 0.026 174.991 174.900 0.107 0.000 0.989 191 G CA 0.293 45.417 45.100 0.040 0.000 0.836 191 G HN 0.687 nan 8.290 nan 0.000 0.511 192 W N 1.536 122.837 121.300 0.002 0.000 2.812 192 W HA 0.283 4.943 4.660 0.001 0.000 0.376 192 W C 0.017 176.597 176.519 0.101 0.000 1.309 192 W CA -0.028 57.376 57.345 0.098 0.000 1.479 192 W CB 0.006 29.635 29.460 0.281 0.000 1.595 192 W HN 0.229 nan 8.180 nan 0.000 0.508 193 K N 4.498 124.849 120.400 -0.081 0.000 2.315 193 K HA 0.113 4.434 4.320 0.001 0.000 0.291 193 K C 0.697 177.229 176.600 -0.114 0.000 1.074 193 K CA -0.109 56.145 56.287 -0.054 0.000 0.936 193 K CB 0.812 33.270 32.500 -0.069 0.000 1.049 193 K HN 0.110 nan 8.250 nan 0.000 0.471 194 S N 1.586 117.330 115.700 0.073 0.000 2.566 194 S HA -0.025 4.445 4.470 0.001 0.000 0.280 194 S C 0.461 175.084 174.600 0.038 0.000 1.343 194 S CA -0.388 57.886 58.200 0.123 0.000 1.036 194 S CB 0.565 63.870 63.200 0.175 0.000 0.866 194 S HN 0.685 nan 8.310 nan 0.000 0.526 195 S N 0.783 116.520 115.700 0.061 0.000 2.645 195 S HA 0.245 4.716 4.470 0.001 0.000 0.266 195 S C 1.173 175.796 174.600 0.039 0.000 1.258 195 S CA 0.097 58.320 58.200 0.039 0.000 0.990 195 S CB 1.033 64.273 63.200 0.067 0.000 0.967 195 S HN 0.856 nan 8.310 nan 0.000 0.556 196 T N -1.292 113.271 114.554 0.014 0.000 3.163 196 T HA 0.320 4.670 4.350 0.001 0.000 0.252 196 T C 0.871 175.593 174.700 0.037 0.000 1.056 196 T CA 0.637 62.740 62.100 0.007 0.000 0.947 196 T CB -0.638 68.207 68.868 -0.039 0.000 1.016 196 T HN 1.169 nan 8.240 nan 0.000 0.554 197 S N -1.603 114.154 115.700 0.095 0.000 1.962 197 S HA 0.077 4.548 4.470 0.001 0.000 0.193 197 S C -0.327 174.442 174.600 0.281 0.000 0.756 197 S CA -0.313 57.979 58.200 0.154 0.000 1.439 197 S CB -0.610 62.675 63.200 0.142 0.000 0.887 197 S HN 0.296 nan 8.310 nan 0.000 0.347 198 D N 5.221 125.809 120.400 0.314 0.000 2.389 198 D HA 0.257 4.897 4.640 0.001 0.000 0.263 198 D C -1.208 175.159 176.300 0.111 0.000 1.255 198 D CA -1.140 52.943 54.000 0.138 0.000 0.914 198 D CB 1.603 42.363 40.800 -0.067 0.000 1.116 198 D HN 0.205 nan 8.370 nan 0.000 0.502 199 P HA -0.163 nan 4.420 nan 0.000 0.216 199 P C 0.475 177.814 177.300 0.065 0.000 1.154 199 P CA 1.285 64.432 63.100 0.079 0.000 0.865 199 P CB 0.538 32.275 31.700 0.062 0.000 0.789 200 N N -1.888 116.847 118.700 0.059 0.000 2.160 200 N HA 0.229 4.970 4.740 0.001 0.000 0.226 200 N C 0.472 176.099 175.510 0.195 0.000 1.256 200 N CA -0.084 53.028 53.050 0.102 0.000 0.890 200 N CB 1.316 39.824 38.487 0.036 0.000 1.116 200 N HN 0.075 nan 8.380 nan 0.000 0.517 201 A N 0.341 123.248 122.820 0.145 0.000 2.301 201 A HA 0.885 5.205 4.320 0.001 0.000 0.287 201 A C 0.646 178.406 177.584 0.293 0.000 1.274 201 A CA 0.027 52.171 52.037 0.179 0.000 0.865 201 A CB 0.531 19.568 19.000 0.061 0.000 1.324 201 A HN 0.172 nan 8.150 nan 0.000 0.508 202 G N -2.881 105.932 108.800 0.022 0.000 2.430 202 G HA2 0.550 4.510 3.960 0.001 0.000 0.300 202 G HA3 0.550 4.510 3.960 0.001 0.000 0.300 202 G C -1.698 172.662 174.900 -0.901 0.000 1.330 202 G CA 0.307 45.089 45.100 -0.530 0.000 0.813 202 G HN 1.797 nan 8.290 nan 0.000 0.487 203 V N -0.085 119.174 119.914 -1.092 0.000 2.709 203 V HA 0.913 5.034 4.120 0.001 0.000 0.308 203 V C 0.426 176.084 176.094 -0.726 0.000 1.062 203 V CA 0.623 62.476 62.300 -0.746 0.000 0.901 203 V CB 1.474 33.104 31.823 -0.320 0.000 1.003 203 V HN 1.688 nan 8.190 nan 0.000 0.425 204 G N 5.205 113.727 108.800 -0.464 0.000 2.820 204 G HA2 0.709 4.670 3.960 0.001 0.000 0.291 204 G HA3 0.709 4.670 3.960 0.001 0.000 0.291 204 G C -2.457 172.388 174.900 -0.092 0.000 1.323 204 G CA -0.965 44.039 45.100 -0.160 0.000 1.055 204 G HN 0.572 nan 8.290 nan 0.000 0.520 205 P HA 0.177 nan 4.420 nan 0.000 0.264 205 P C -0.250 177.221 177.300 0.284 0.000 1.259 205 P CA 0.311 63.444 63.100 0.054 0.000 0.841 205 P CB 0.331 32.039 31.700 0.013 0.000 1.232 206 Y N -0.053 120.232 120.300 -0.024 0.000 2.612 206 Y HA 0.686 5.236 4.550 0.001 0.000 0.334 206 Y C 0.963 176.837 175.900 -0.044 0.000 1.227 206 Y CA -1.174 56.913 58.100 -0.022 0.000 1.356 206 Y CB 1.439 39.894 38.460 -0.008 0.000 1.534 206 Y HN -0.181 nan 8.280 nan 0.000 0.576 207 G N -0.217 108.661 108.800 0.130 0.000 2.404 207 G HA2 0.322 4.283 3.960 0.001 0.000 0.298 207 G HA3 0.322 4.283 3.960 0.001 0.000 0.298 207 G C -1.973 172.886 174.900 -0.068 0.000 1.577 207 G CA -1.015 44.090 45.100 0.009 0.000 0.847 207 G HN 0.501 nan 8.290 nan 0.000 0.598 208 S N -0.540 115.068 115.700 -0.153 0.000 2.438 208 S HA 0.687 5.157 4.470 0.001 0.000 0.316 208 S C 0.319 174.607 174.600 -0.520 0.000 1.084 208 S CA -0.716 57.244 58.200 -0.401 0.000 1.107 208 S CB 0.592 63.556 63.200 -0.392 0.000 0.981 208 S HN 0.904 nan 8.310 nan 0.000 0.466 209 c N 1.793 120.005 118.600 -0.647 0.000 2.451 209 c HA 1.012 5.582 4.570 0.001 0.000 0.391 209 c C 0.568 174.148 174.090 -0.849 0.000 1.286 209 c CA -0.591 55.353 56.329 -0.641 0.000 1.935 209 c CB 0.193 42.464 42.510 -0.398 0.000 2.188 209 c HN 1.402 nan 8.230 nan 0.000 0.523 210 c N -1.300 116.975 118.600 -0.541 0.000 2.628 210 c HA 0.568 5.138 4.570 0.001 0.000 0.295 210 c C -0.464 173.543 174.090 -0.138 0.000 1.214 210 c CA -0.704 55.431 56.329 -0.323 0.000 1.178 210 c CB -0.326 42.032 42.510 -0.253 0.000 1.253 210 c HN 1.908 nan 8.230 nan 0.000 0.499 211 A N 1.535 124.329 122.820 -0.043 0.000 2.488 211 A HA 0.567 4.887 4.320 0.001 0.000 0.249 211 A C 0.195 177.793 177.584 0.024 0.000 1.083 211 A CA 0.775 52.822 52.037 0.016 0.000 0.768 211 A CB 0.209 19.229 19.000 0.032 0.000 1.017 211 A HN 1.228 nan 8.150 nan 0.000 0.496 212 E N 3.151 123.381 120.200 0.051 0.000 2.234 212 E HA 0.428 4.778 4.350 0.001 0.000 0.266 212 E C -1.273 175.420 176.600 0.154 0.000 0.877 212 E CA -0.623 55.809 56.400 0.054 0.000 0.758 212 E CB 1.043 30.674 29.700 -0.115 0.000 1.170 212 E HN 0.583 nan 8.360 nan 0.000 0.415 213 I N 3.585 124.285 120.570 0.216 0.000 2.282 213 I HA 0.183 4.353 4.170 0.001 0.000 0.290 213 I C -0.430 175.919 176.117 0.388 0.000 1.090 213 I CA -0.648 60.829 61.300 0.295 0.000 1.231 213 I CB 0.362 38.521 38.000 0.265 0.000 1.434 213 I HN 0.351 nan 8.210 nan 0.000 0.487 214 D N 6.196 126.823 120.400 0.380 0.000 2.482 214 D HA 0.036 4.676 4.640 0.001 0.000 0.244 214 D C 1.498 178.196 176.300 0.664 0.000 1.242 214 D CA 0.106 54.353 54.000 0.413 0.000 1.097 214 D CB 1.211 42.237 40.800 0.376 0.000 1.109 214 D HN 0.286 nan 8.370 nan 0.000 0.510 215 V N 1.291 121.604 119.914 0.666 0.000 2.343 215 V HA -0.140 3.981 4.120 0.001 0.000 0.247 215 V C 0.996 177.498 176.094 0.679 0.000 1.051 215 V CA 0.988 63.727 62.300 0.731 0.000 1.036 215 V CB 0.043 32.177 31.823 0.518 0.000 0.654 215 V HN 0.649 nan 8.190 nan 0.000 0.451 216 W N 1.694 123.222 121.300 0.380 0.000 2.073 216 W HA 0.328 4.988 4.660 0.001 0.000 0.295 216 W C -0.867 175.912 176.519 0.433 0.000 1.005 216 W CA -0.774 56.820 57.345 0.415 0.000 1.451 216 W CB 0.796 30.567 29.460 0.519 0.000 1.515 216 W HN 0.211 nan 8.180 nan 0.000 0.341 217 E N 2.825 123.130 120.200 0.176 0.000 2.338 217 E HA 0.350 4.700 4.350 0.001 0.000 0.272 217 E C 0.214 176.634 176.600 -0.300 0.000 1.029 217 E CA 0.410 56.857 56.400 0.080 0.000 0.872 217 E CB 1.856 31.696 29.700 0.235 0.000 1.015 217 E HN 0.360 nan 8.360 nan 0.000 0.417 218 S N 2.338 117.878 115.700 -0.266 0.000 2.710 218 S HA 0.334 4.804 4.470 0.001 0.000 0.274 218 S C -1.248 173.293 174.600 -0.098 0.000 1.029 218 S CA -1.003 57.004 58.200 -0.322 0.000 0.864 218 S CB 1.042 63.693 63.200 -0.915 0.000 1.103 218 S HN 0.662 nan 8.310 nan 0.000 0.460 219 N N 0.230 118.932 118.700 0.005 0.000 3.418 219 N HA 0.709 5.450 4.740 0.001 0.000 0.316 219 N C 0.893 176.411 175.510 0.014 0.000 1.601 219 N CA -0.388 52.655 53.050 -0.011 0.000 0.805 219 N CB 0.341 38.770 38.487 -0.096 0.000 1.873 219 N HN 1.241 nan 8.380 nan 0.000 0.615 220 A N -1.430 121.286 122.820 -0.174 0.000 2.125 220 A HA 0.035 4.355 4.320 0.001 0.000 0.219 220 A C 0.732 177.949 177.584 -0.612 0.000 1.156 220 A CA 1.083 52.854 52.037 -0.444 0.000 0.671 220 A CB -0.966 17.647 19.000 -0.646 0.000 0.794 220 A HN 0.605 nan 8.150 nan 0.000 0.459 221 Y N -2.165 118.049 120.300 -0.142 0.000 2.581 221 Y HA 0.547 5.097 4.550 0.001 0.000 0.271 221 Y C 1.187 177.101 175.900 0.022 0.000 1.100 221 Y CA 0.365 58.390 58.100 -0.125 0.000 1.281 221 Y CB 0.396 38.768 38.460 -0.146 0.000 1.237 221 Y HN 0.339 nan 8.280 nan 0.000 0.514 222 A N -0.092 122.891 122.820 0.272 0.000 2.533 222 A HA 0.773 5.093 4.320 0.001 0.000 0.293 222 A C -1.681 176.111 177.584 0.347 0.000 1.228 222 A CA -0.441 51.802 52.037 0.343 0.000 0.689 222 A CB 1.371 20.378 19.000 0.011 0.000 1.303 222 A HN 0.230 nan 8.150 nan 0.000 0.444 223 F N -2.938 116.952 119.950 -0.100 0.000 2.773 223 F HA 0.835 5.363 4.527 0.001 0.000 0.314 223 F C -0.853 174.850 175.800 -0.162 0.000 1.160 223 F CA -0.376 57.415 58.000 -0.348 0.000 0.920 223 F CB 1.016 39.529 39.000 -0.811 0.000 1.323 223 F HN 1.538 nan 8.300 nan 0.000 0.457 224 A N 2.041 124.747 122.820 -0.189 0.000 2.513 224 A HA 0.578 4.899 4.320 0.001 0.000 0.296 224 A C -2.228 175.585 177.584 0.382 0.000 1.052 224 A CA -0.471 51.524 52.037 -0.070 0.000 0.714 224 A CB 0.811 19.807 19.000 -0.008 0.000 1.279 224 A HN 1.082 nan 8.150 nan 0.000 0.397 225 F N 2.286 122.420 119.950 0.306 0.000 2.410 225 F HA 0.578 5.105 4.527 0.001 0.000 0.348 225 F C -0.148 175.823 175.800 0.286 0.000 1.106 225 F CA 0.203 58.438 58.000 0.392 0.000 1.163 225 F CB 1.157 40.417 39.000 0.435 0.000 1.129 225 F HN 0.517 nan 8.300 nan 0.000 0.516 226 T N 6.853 121.630 114.554 0.372 0.000 3.170 226 T HA 0.267 4.617 4.350 0.001 0.000 0.315 226 T C -2.890 171.888 174.700 0.130 0.000 0.967 226 T CA -1.067 61.129 62.100 0.159 0.000 1.024 226 T CB 1.759 70.808 68.868 0.303 0.000 1.018 226 T HN 0.321 nan 8.240 nan 0.000 0.449 227 P HA 0.433 nan 4.420 nan 0.000 0.292 227 P C -1.181 176.160 177.300 0.069 0.000 1.283 227 P CA -0.607 62.521 63.100 0.048 0.000 0.835 227 P CB 0.963 32.610 31.700 -0.089 0.000 1.017 228 H N 0.962 120.092 119.070 0.100 0.000 2.906 228 H HA 0.515 5.071 4.556 0.001 0.000 0.324 228 H C -0.188 175.204 175.328 0.106 0.000 0.973 228 H CA -0.777 55.351 56.048 0.135 0.000 1.321 228 H CB 1.933 31.736 29.762 0.068 0.000 1.535 228 H HN 0.512 nan 8.280 nan 0.000 0.518 229 A N 2.224 125.166 122.820 0.204 0.000 2.336 229 A HA 0.755 5.075 4.320 0.001 0.000 0.291 229 A C -0.194 177.434 177.584 0.073 0.000 1.266 229 A CA -0.297 51.784 52.037 0.073 0.000 0.891 229 A CB 0.702 19.671 19.000 -0.052 0.000 1.366 229 A HN 0.771 nan 8.150 nan 0.000 0.507 230 c N -2.520 116.107 118.600 0.044 0.000 3.318 230 c HA 0.559 5.129 4.570 0.001 0.000 0.322 230 c C 0.878 174.984 174.090 0.025 0.000 1.398 230 c CA 0.157 56.523 56.329 0.062 0.000 1.339 230 c CB 1.379 43.975 42.510 0.144 0.000 1.668 230 c HN 0.955 nan 8.230 nan 0.000 0.462 231 T N -1.690 112.868 114.554 0.007 0.000 3.327 231 T HA 0.416 4.766 4.350 0.001 0.000 0.241 231 T C -0.068 174.606 174.700 -0.042 0.000 0.907 231 T CA 0.012 62.094 62.100 -0.029 0.000 0.931 231 T CB -0.754 68.086 68.868 -0.047 0.000 1.112 231 T HN 0.841 nan 8.240 nan 0.000 0.589 232 T N 1.195 115.753 114.554 0.006 0.000 3.865 232 T HA 0.100 4.450 4.350 0.001 0.000 0.190 232 T C 0.240 175.050 174.700 0.184 0.000 0.531 232 T CA -0.799 61.325 62.100 0.039 0.000 0.884 232 T CB -0.217 68.548 68.868 -0.171 0.000 1.352 232 T HN 0.148 nan 8.240 nan 0.000 0.506 233 N N 1.556 120.322 118.700 0.109 0.000 2.173 233 N HA -0.015 4.725 4.740 0.001 0.000 0.184 233 N C 0.855 176.416 175.510 0.084 0.000 1.025 233 N CA 0.778 53.883 53.050 0.091 0.000 0.852 233 N CB 0.182 38.698 38.487 0.048 0.000 0.998 233 N HN 0.721 nan 8.380 nan 0.000 0.427 234 E N 0.970 121.228 120.200 0.096 0.000 2.492 234 E HA -0.196 4.154 4.350 0.001 0.000 0.266 234 E C -0.103 176.574 176.600 0.127 0.000 1.047 234 E CA -0.072 56.391 56.400 0.104 0.000 0.968 234 E CB 0.125 29.885 29.700 0.100 0.000 0.960 234 E HN 0.271 nan 8.360 nan 0.000 0.452 235 Y N 3.573 123.860 120.300 -0.020 0.000 2.944 235 Y HA -0.192 4.358 4.550 0.001 0.000 0.340 235 Y C 0.656 176.569 175.900 0.022 0.000 1.275 235 Y CA 1.037 59.099 58.100 -0.062 0.000 1.590 235 Y CB 0.165 38.626 38.460 0.001 0.000 1.218 235 Y HN 0.493 nan 8.280 nan 0.000 0.576 236 H N 2.853 121.874 119.070 -0.081 0.000 2.977 236 H HA 0.703 5.260 4.556 0.001 0.000 0.350 236 H C -1.722 173.528 175.328 -0.130 0.000 1.238 236 H CA -1.253 54.804 56.048 0.016 0.000 1.124 236 H CB 0.776 30.534 29.762 -0.007 0.000 1.866 236 H HN 0.376 nan 8.280 nan 0.000 0.550 237 V N 1.264 121.281 119.914 0.172 0.000 2.547 237 V HA 0.328 4.449 4.120 0.001 0.000 0.299 237 V C 0.933 177.047 176.094 0.034 0.000 1.040 237 V CA -0.675 61.637 62.300 0.019 0.000 0.913 237 V CB 1.065 32.873 31.823 -0.024 0.000 0.992 237 V HN 1.054 nan 8.190 nan 0.000 0.449 238 c N 2.441 121.034 118.600 -0.012 0.000 2.505 238 c HA 0.919 5.490 4.570 0.001 0.000 0.358 238 c C -0.403 173.647 174.090 -0.065 0.000 1.226 238 c CA -0.587 55.736 56.329 -0.011 0.000 1.900 238 c CB 1.377 43.906 42.510 0.031 0.000 2.306 238 c HN 0.990 nan 8.230 nan 0.000 0.512 239 E N 0.325 120.501 120.200 -0.040 0.000 2.278 239 E HA 0.440 4.790 4.350 0.001 0.000 0.272 239 E C 0.574 177.199 176.600 0.041 0.000 0.890 239 E CA 0.337 56.736 56.400 -0.001 0.000 0.770 239 E CB 2.143 31.796 29.700 -0.078 0.000 1.212 239 E HN 1.193 nan 8.360 nan 0.000 0.415 240 T N -0.030 114.571 114.554 0.079 0.000 3.485 240 T HA -0.453 3.898 4.350 0.001 0.000 0.120 240 T C 1.734 176.456 174.700 0.036 0.000 1.733 240 T CA 2.750 64.884 62.100 0.057 0.000 0.863 240 T CB -2.321 66.583 68.868 0.060 0.000 0.967 240 T HN 0.764 nan 8.240 nan 0.000 0.405 241 T N 1.084 115.656 114.554 0.030 0.000 2.778 241 T HA -0.181 4.170 4.350 0.001 0.000 0.269 241 T C 1.504 176.216 174.700 0.020 0.000 1.050 241 T CA 1.843 63.957 62.100 0.024 0.000 1.137 241 T CB -0.854 68.027 68.868 0.021 0.000 0.860 241 T HN 0.742 nan 8.240 nan 0.000 0.468 242 N N 0.463 119.172 118.700 0.014 0.000 2.521 242 N HA 0.073 4.814 4.740 0.001 0.000 0.188 242 N C -0.218 175.298 175.510 0.011 0.000 1.146 242 N CA 0.071 53.124 53.050 0.005 0.000 0.893 242 N CB -0.548 37.932 38.487 -0.011 0.000 0.975 242 N HN 0.453 nan 8.380 nan 0.000 0.451 243 c N 1.411 120.022 118.600 0.020 0.000 2.251 243 c HA 0.624 5.194 4.570 0.001 0.000 0.323 243 c C 1.515 175.617 174.090 0.020 0.000 1.241 243 c CA -1.328 55.015 56.329 0.024 0.000 1.601 243 c CB 0.141 42.667 42.510 0.028 0.000 2.251 243 c HN 0.350 nan 8.230 nan 0.000 0.488 244 G N 2.103 110.914 108.800 0.019 0.000 2.468 244 G HA2 0.592 4.552 3.960 0.001 0.000 0.264 244 G HA3 0.592 4.552 3.960 0.001 0.000 0.264 244 G C 0.374 175.254 174.900 -0.033 0.000 1.460 244 G CA 0.557 45.653 45.100 -0.006 0.000 1.060 244 G HN 1.635 nan 8.290 nan 0.000 0.543 245 G N -3.111 105.631 108.800 -0.095 0.000 2.756 245 G HA2 0.024 3.984 3.960 0.001 0.000 0.678 245 G HA3 0.024 3.984 3.960 0.001 0.000 0.678 245 G C 0.850 175.615 174.900 -0.226 0.000 1.349 245 G CA 0.417 45.427 45.100 -0.149 0.000 0.847 245 G HN 1.147 nan 8.290 nan 0.000 0.548 246 T N 0.276 114.601 114.554 -0.382 0.000 2.592 246 T HA -0.282 4.068 4.350 0.001 0.000 0.267 246 T C 1.987 176.433 174.700 -0.424 0.000 1.060 246 T CA 3.042 64.825 62.100 -0.529 0.000 1.167 246 T CB -0.484 67.832 68.868 -0.920 0.000 0.863 246 T HN 0.524 nan 8.240 nan 0.000 0.431 247 Y N 2.299 122.437 120.300 -0.270 0.000 1.979 247 Y HA -0.150 4.401 4.550 0.001 0.000 0.262 247 Y C 2.317 178.212 175.900 -0.009 0.000 1.142 247 Y CA 0.810 58.841 58.100 -0.115 0.000 1.096 247 Y CB -1.427 36.957 38.460 -0.127 0.000 0.958 247 Y HN 0.125 nan 8.280 nan 0.000 0.484 248 S N 0.778 116.557 115.700 0.132 0.000 3.165 248 S HA -0.200 4.270 4.470 0.001 0.000 0.264 248 S C 1.368 175.989 174.600 0.035 0.000 1.519 248 S CA 0.495 58.732 58.200 0.062 0.000 1.085 248 S CB 0.078 63.296 63.200 0.029 0.000 0.813 248 S HN 0.383 nan 8.310 nan 0.000 0.491 249 E N 0.479 120.692 120.200 0.021 0.000 2.042 249 E HA -0.046 4.305 4.350 0.001 0.000 0.189 249 E C 0.063 176.661 176.600 -0.003 0.000 0.974 249 E CA 0.685 57.095 56.400 0.016 0.000 0.806 249 E CB 0.021 29.733 29.700 0.021 0.000 0.769 249 E HN 0.523 nan 8.360 nan 0.000 0.451 250 D N 0.221 120.616 120.400 -0.009 0.000 2.472 250 D HA 0.061 4.701 4.640 0.001 0.000 0.234 250 D C 0.576 176.821 176.300 -0.091 0.000 1.088 250 D CA -0.182 53.809 54.000 -0.016 0.000 0.882 250 D CB 0.616 41.439 40.800 0.039 0.000 1.037 250 D HN -0.119 nan 8.370 nan 0.000 0.520 251 R N 2.790 123.130 120.500 -0.266 0.000 2.303 251 R HA -0.075 4.266 4.340 0.001 0.000 0.225 251 R C 0.334 176.332 176.300 -0.504 0.000 1.114 251 R CA 1.111 56.933 56.100 -0.463 0.000 1.007 251 R CB -0.053 29.819 30.300 -0.715 0.000 0.861 251 R HN 0.405 nan 8.270 nan 0.000 0.471 252 F N -1.266 118.691 119.950 0.013 0.000 2.668 252 F HA 0.345 4.872 4.527 0.001 0.000 0.301 252 F C 1.602 177.406 175.800 0.007 0.000 1.106 252 F CA -0.268 57.739 58.000 0.011 0.000 1.289 252 F CB 0.836 39.843 39.000 0.011 0.000 1.006 252 F HN 0.061 nan 8.300 nan 0.000 0.535 253 A N 0.350 123.239 122.820 0.114 0.000 2.030 253 A HA 0.320 4.640 4.320 0.001 0.000 0.215 253 A C 1.896 179.513 177.584 0.055 0.000 1.164 253 A CA 0.710 52.794 52.037 0.078 0.000 0.697 253 A CB -0.862 18.166 19.000 0.048 0.000 0.827 253 A HN 0.323 nan 8.150 nan 0.000 0.457 254 G N -0.313 108.517 108.800 0.051 0.000 2.527 254 G HA2 0.197 4.157 3.960 0.001 0.000 0.279 254 G HA3 0.197 4.157 3.960 0.001 0.000 0.279 254 G C 0.447 175.370 174.900 0.038 0.000 1.374 254 G CA -0.098 45.029 45.100 0.044 0.000 1.053 254 G HN 0.368 nan 8.290 nan 0.000 0.539 255 K N -1.331 119.088 120.400 0.032 0.000 2.410 255 K HA 0.245 4.566 4.320 0.001 0.000 0.200 255 K C -0.037 176.589 176.600 0.044 0.000 1.023 255 K CA -0.384 55.902 56.287 -0.003 0.000 1.149 255 K CB 0.165 32.599 32.500 -0.110 0.000 0.859 255 K HN 0.223 nan 8.250 nan 0.000 0.514 256 c N 0.347 118.997 118.600 0.082 0.000 2.531 256 c HA 0.306 4.876 4.570 0.001 0.000 0.369 256 c C -0.223 173.936 174.090 0.115 0.000 1.258 256 c CA -0.871 55.518 56.329 0.099 0.000 1.876 256 c CB 1.349 43.915 42.510 0.093 0.000 2.256 256 c HN 0.342 nan 8.230 nan 0.000 0.510 257 D N 0.153 120.642 120.400 0.149 0.000 2.485 257 D HA 0.424 5.064 4.640 0.001 0.000 0.229 257 D C 0.741 177.200 176.300 0.265 0.000 1.101 257 D CA -0.166 53.952 54.000 0.197 0.000 0.906 257 D CB 0.996 41.924 40.800 0.213 0.000 1.019 257 D HN 0.593 nan 8.370 nan 0.000 0.516 258 A N 4.085 127.032 122.820 0.211 0.000 2.032 258 A HA -0.211 4.109 4.320 0.001 0.000 0.221 258 A C 1.503 179.219 177.584 0.219 0.000 1.165 258 A CA 1.409 53.532 52.037 0.144 0.000 0.645 258 A CB -0.089 18.916 19.000 0.008 0.000 0.807 258 A HN 0.699 nan 8.150 nan 0.000 0.453 259 N N -1.791 117.019 118.700 0.183 0.000 2.239 259 N HA 0.237 4.977 4.740 0.001 0.000 0.208 259 N C 0.899 176.239 175.510 -0.283 0.000 1.200 259 N CA 0.488 53.578 53.050 0.066 0.000 0.895 259 N CB 0.375 38.954 38.487 0.154 0.000 1.085 259 N HN 0.576 nan 8.380 nan 0.000 0.500 260 G N 1.716 110.232 108.800 -0.474 0.000 3.044 260 G HA2 -0.318 3.642 3.960 0.001 0.000 0.648 260 G HA3 -0.318 3.642 3.960 0.001 0.000 0.648 260 G C 0.153 174.786 174.900 -0.446 0.000 1.620 260 G CA -0.192 44.506 45.100 -0.670 0.000 1.109 260 G HN 0.456 nan 8.290 nan 0.000 0.587 261 c N 3.045 121.217 118.600 -0.714 0.000 3.031 261 c HA 0.449 5.019 4.570 0.001 0.000 0.489 261 c C 1.215 175.133 174.090 -0.286 0.000 1.020 261 c CA -0.291 55.664 56.329 -0.624 0.000 1.104 261 c CB -2.738 39.091 42.510 -1.134 0.000 1.470 261 c HN 0.936 nan 8.230 nan 0.000 0.583 262 D N 1.596 121.921 120.400 -0.126 0.000 2.361 262 D HA 0.192 4.833 4.640 0.001 0.000 0.239 262 D C -0.712 175.645 176.300 0.096 0.000 1.200 262 D CA 0.062 54.075 54.000 0.022 0.000 0.915 262 D CB 0.334 41.189 40.800 0.092 0.000 1.170 262 D HN 0.561 nan 8.370 nan 0.000 0.444 263 Y N 0.601 120.928 120.300 0.044 0.000 2.386 263 Y HA 0.406 4.956 4.550 0.001 0.000 0.334 263 Y C -1.544 174.330 175.900 -0.042 0.000 1.002 263 Y CA -1.127 57.002 58.100 0.048 0.000 1.068 263 Y CB 1.855 40.371 38.460 0.095 0.000 1.203 263 Y HN 0.536 nan 8.280 nan 0.000 0.443 264 N N 7.781 126.133 118.700 -0.581 0.000 2.581 264 N HA 0.367 5.108 4.740 0.001 0.000 0.279 264 N C -2.607 172.525 175.510 -0.629 0.000 1.124 264 N CA -2.374 50.325 53.050 -0.584 0.000 0.833 264 N CB 2.350 40.652 38.487 -0.308 0.000 1.338 264 N HN 0.261 nan 8.380 nan 0.000 0.533 265 P HA -0.162 nan 4.420 nan 0.000 0.217 265 P C 0.858 178.110 177.300 -0.080 0.000 1.151 265 P CA 1.118 64.100 63.100 -0.197 0.000 0.849 265 P CB 0.131 31.871 31.700 0.067 0.000 0.787 266 Y N 0.493 120.730 120.300 -0.104 0.000 2.133 266 Y HA -0.169 4.381 4.550 0.001 0.000 0.287 266 Y C 2.708 178.587 175.900 -0.035 0.000 1.134 266 Y CA 1.552 59.627 58.100 -0.041 0.000 1.133 266 Y CB -0.782 37.671 38.460 -0.010 0.000 0.987 266 Y HN -0.274 nan 8.280 nan 0.000 0.502 267 R N -0.379 120.232 120.500 0.185 0.000 2.139 267 R HA -0.175 4.166 4.340 0.001 0.000 0.243 267 R C 1.565 178.107 176.300 0.404 0.000 1.145 267 R CA 1.840 58.047 56.100 0.178 0.000 0.976 267 R CB -0.193 30.130 30.300 0.038 0.000 0.866 267 R HN 0.303 nan 8.270 nan 0.000 0.449 268 M N -0.433 119.260 119.600 0.155 0.000 2.494 268 M HA 0.193 4.673 4.480 0.001 0.000 0.232 268 M C 0.561 176.684 176.300 -0.295 0.000 1.137 268 M CA 0.820 56.203 55.300 0.138 0.000 1.012 268 M CB 0.912 33.373 32.600 -0.231 0.000 1.567 268 M HN 0.459 nan 8.290 nan 0.000 0.486 269 G N 2.410 111.028 108.800 -0.303 0.000 2.255 269 G HA2 -0.205 3.756 3.960 0.001 0.000 0.239 269 G HA3 -0.205 3.756 3.960 0.001 0.000 0.239 269 G C -0.307 174.374 174.900 -0.365 0.000 1.083 269 G CA -0.367 44.408 45.100 -0.542 0.000 0.826 269 G HN 0.579 nan 8.290 nan 0.000 0.493 270 N N 0.417 118.963 118.700 -0.256 0.000 2.679 270 N HA 0.194 4.934 4.740 0.001 0.000 0.302 270 N C -2.024 173.392 175.510 -0.157 0.000 1.941 270 N CA -0.846 52.111 53.050 -0.155 0.000 0.875 270 N CB 1.729 40.177 38.487 -0.066 0.000 1.278 270 N HN 0.270 nan 8.380 nan 0.000 0.490 271 P HA 0.026 nan 4.420 nan 0.000 0.247 271 P C -0.131 177.043 177.300 -0.211 0.000 1.225 271 P CA 0.880 63.593 63.100 -0.644 0.000 0.768 271 P CB 0.366 31.548 31.700 -0.864 0.000 1.020 272 D N -1.917 118.451 120.400 -0.054 0.000 2.503 272 D HA 0.067 4.707 4.640 0.001 0.000 0.218 272 D C 0.959 177.320 176.300 0.103 0.000 1.183 272 D CA -0.253 53.755 54.000 0.015 0.000 0.827 272 D CB -0.038 40.757 40.800 -0.007 0.000 1.034 272 D HN 0.147 nan 8.370 nan 0.000 0.510 273 F N 0.969 120.939 119.950 0.033 0.000 2.188 273 F HA 0.090 4.618 4.527 0.001 0.000 0.289 273 F C 0.204 176.085 175.800 0.135 0.000 1.082 273 F CA 0.316 58.371 58.000 0.092 0.000 1.282 273 F CB 0.287 39.379 39.000 0.154 0.000 1.060 273 F HN -0.212 nan 8.300 nan 0.000 0.493 274 Y N 1.316 121.659 120.300 0.071 0.000 2.341 274 Y HA 0.573 5.123 4.550 0.001 0.000 0.337 274 Y C 0.017 175.884 175.900 -0.056 0.000 1.014 274 Y CA -0.228 57.804 58.100 -0.113 0.000 1.111 274 Y CB 1.015 39.638 38.460 0.270 0.000 1.194 274 Y HN 0.430 nan 8.280 nan 0.000 0.462 275 G N 4.037 112.419 108.800 -0.697 0.000 2.361 275 G HA2 0.033 3.993 3.960 0.001 0.000 0.331 275 G HA3 0.033 3.993 3.960 0.001 0.000 0.331 275 G C -1.731 172.870 174.900 -0.497 0.000 1.324 275 G CA -1.383 43.355 45.100 -0.604 0.000 0.984 275 G HN 0.621 nan 8.290 nan 0.000 0.586 276 K N 0.465 120.615 120.400 -0.416 0.000 2.472 276 K HA 0.400 4.720 4.320 0.001 0.000 0.280 276 K C 1.496 177.951 176.600 -0.242 0.000 1.028 276 K CA 1.245 57.332 56.287 -0.334 0.000 1.045 276 K CB 0.711 33.031 32.500 -0.301 0.000 0.902 276 K HN 2.159 nan 8.250 nan 0.000 0.478 277 G N 2.316 110.978 108.800 -0.230 0.000 2.458 277 G HA2 -0.374 3.586 3.960 0.001 0.000 0.237 277 G HA3 -0.374 3.586 3.960 0.001 0.000 0.237 277 G C 0.355 175.144 174.900 -0.185 0.000 1.113 277 G CA 0.457 45.453 45.100 -0.174 0.000 0.655 277 G HN 0.541 nan 8.290 nan 0.000 0.513 278 K N 0.641 120.911 120.400 -0.216 0.000 2.256 278 K HA 0.338 4.658 4.320 0.001 0.000 0.255 278 K C 2.075 178.519 176.600 -0.259 0.000 1.012 278 K CA 0.922 57.083 56.287 -0.211 0.000 0.841 278 K CB -0.125 32.235 32.500 -0.233 0.000 1.025 278 K HN 0.220 nan 8.250 nan 0.000 0.527 279 T N 0.279 114.685 114.554 -0.247 0.000 2.620 279 T HA -0.188 4.163 4.350 0.001 0.000 0.267 279 T C 0.484 174.914 174.700 -0.451 0.000 1.044 279 T CA 1.132 63.071 62.100 -0.267 0.000 1.161 279 T CB -0.036 68.733 68.868 -0.166 0.000 0.862 279 T HN 0.186 nan 8.240 nan 0.000 0.438 280 L N 2.600 123.367 121.223 -0.760 0.000 2.262 280 L HA 0.290 4.630 4.340 0.001 0.000 0.288 280 L C -0.608 175.828 176.870 -0.724 0.000 1.035 280 L CA -0.288 54.062 54.840 -0.817 0.000 0.820 280 L CB 0.908 42.283 42.059 -1.140 0.000 1.204 280 L HN 0.082 nan 8.230 nan 0.000 0.424 281 D N 3.093 123.144 120.400 -0.581 0.000 2.367 281 D HA 0.006 4.646 4.640 0.001 0.000 0.255 281 D C 1.275 177.256 176.300 -0.530 0.000 1.300 281 D CA 0.102 53.825 54.000 -0.462 0.000 0.959 281 D CB 0.989 41.614 40.800 -0.291 0.000 1.064 281 D HN 0.604 nan 8.370 nan 0.000 0.509 282 T N -1.049 113.140 114.554 -0.608 0.000 3.215 282 T HA -0.080 4.270 4.350 0.001 0.000 0.254 282 T C 1.515 176.025 174.700 -0.318 0.000 1.149 282 T CA 0.180 61.961 62.100 -0.531 0.000 1.042 282 T CB 0.122 68.562 68.868 -0.713 0.000 0.966 282 T HN 0.168 nan 8.240 nan 0.000 0.534 283 S N 1.037 116.575 115.700 -0.270 0.000 2.535 283 S HA 0.212 4.682 4.470 0.001 0.000 0.214 283 S C 0.588 175.112 174.600 -0.126 0.000 0.980 283 S CA -0.793 57.290 58.200 -0.196 0.000 0.907 283 S CB -0.184 62.907 63.200 -0.181 0.000 0.790 283 S HN 0.851 nan 8.310 nan 0.000 0.510 284 R N 0.082 120.524 120.500 -0.095 0.000 2.629 284 R HA 0.468 4.808 4.340 0.001 0.000 0.266 284 R C -1.318 175.007 176.300 0.042 0.000 1.051 284 R CA -0.873 55.201 56.100 -0.044 0.000 0.895 284 R CB 0.576 30.838 30.300 -0.064 0.000 1.246 284 R HN 0.014 nan 8.270 nan 0.000 0.459 285 K N 1.997 122.422 120.400 0.040 0.000 2.494 285 K HA 0.137 4.458 4.320 0.001 0.000 0.273 285 K C -0.954 175.739 176.600 0.155 0.000 0.970 285 K CA 0.675 56.997 56.287 0.058 0.000 0.963 285 K CB 0.261 32.747 32.500 -0.024 0.000 0.913 285 K HN 0.502 nan 8.250 nan 0.000 0.502 286 F N -1.859 118.009 119.950 -0.137 0.000 2.693 286 F HA 0.372 4.900 4.527 0.001 0.000 0.309 286 F C -1.121 174.546 175.800 -0.222 0.000 1.129 286 F CA -1.158 56.735 58.000 -0.179 0.000 0.948 286 F CB 1.364 40.223 39.000 -0.234 0.000 1.315 286 F HN 0.213 nan 8.300 nan 0.000 0.447 287 T N 2.139 116.553 114.554 -0.234 0.000 2.829 287 T HA 0.584 4.935 4.350 0.001 0.000 0.282 287 T C -0.763 173.628 174.700 -0.515 0.000 0.990 287 T CA -0.579 61.247 62.100 -0.456 0.000 1.028 287 T CB 1.655 70.224 68.868 -0.499 0.000 0.951 287 T HN 0.542 nan 8.240 nan 0.000 0.460 288 V N 4.379 123.731 119.914 -0.937 0.000 2.347 288 V HA 0.389 4.510 4.120 0.001 0.000 0.280 288 V C -0.138 175.399 176.094 -0.930 0.000 1.021 288 V CA -0.683 61.006 62.300 -1.018 0.000 0.847 288 V CB 1.379 32.249 31.823 -1.589 0.000 0.990 288 V HN 0.707 nan 8.190 nan 0.000 0.444 289 V N 4.075 123.439 119.914 -0.917 0.000 2.435 289 V HA 0.632 4.753 4.120 0.001 0.000 0.290 289 V C 0.089 175.789 176.094 -0.657 0.000 1.030 289 V CA -0.242 61.597 62.300 -0.768 0.000 0.881 289 V CB 1.805 33.062 31.823 -0.942 0.000 0.983 289 V HN 0.872 nan 8.190 nan 0.000 0.445 290 S N 4.557 119.986 115.700 -0.452 0.000 2.538 290 S HA 0.799 5.269 4.470 0.001 0.000 0.288 290 S C -0.609 173.636 174.600 -0.591 0.000 1.108 290 S CA -0.961 56.967 58.200 -0.454 0.000 0.971 290 S CB 1.953 64.954 63.200 -0.333 0.000 1.041 290 S HN 0.747 nan 8.310 nan 0.000 0.483 291 R N 1.045 121.159 120.500 -0.644 0.000 2.673 291 R HA 0.622 4.963 4.340 0.001 0.000 0.281 291 R C -1.695 174.269 176.300 -0.560 0.000 0.991 291 R CA -0.541 55.208 56.100 -0.586 0.000 0.896 291 R CB 1.538 31.729 30.300 -0.182 0.000 1.201 291 R HN 0.573 nan 8.270 nan 0.000 0.457 292 F N 0.873 120.931 119.950 0.181 0.000 2.499 292 F HA 0.445 4.972 4.527 0.001 0.000 0.333 292 F C 0.061 175.953 175.800 0.153 0.000 1.138 292 F CA -0.726 57.394 58.000 0.198 0.000 0.945 292 F CB 1.932 41.055 39.000 0.205 0.000 1.181 292 F HN 0.266 nan 8.300 nan 0.000 0.435 293 E N 0.779 121.161 120.200 0.305 0.000 2.336 293 E HA 0.248 4.598 4.350 0.001 0.000 0.267 293 E C -1.166 175.569 176.600 0.224 0.000 0.906 293 E CA -1.378 55.148 56.400 0.211 0.000 0.781 293 E CB 2.253 32.034 29.700 0.135 0.000 1.261 293 E HN 0.545 nan 8.360 nan 0.000 0.436 294 E N 2.483 122.777 120.200 0.157 0.000 2.491 294 E HA -0.098 4.253 4.350 0.001 0.000 0.250 294 E C -0.609 176.017 176.600 0.043 0.000 1.061 294 E CA 0.368 56.847 56.400 0.132 0.000 0.942 294 E CB -0.322 29.427 29.700 0.082 0.000 0.957 294 E HN 0.489 nan 8.360 nan 0.000 0.480 295 N N 3.398 122.089 118.700 -0.015 0.000 2.776 295 N HA -0.250 4.490 4.740 0.001 0.000 0.250 295 N C -0.942 174.416 175.510 -0.253 0.000 1.112 295 N CA 1.333 54.050 53.050 -0.554 0.000 0.733 295 N CB -1.230 36.976 38.487 -0.468 0.000 1.097 295 N HN 0.645 nan 8.380 nan 0.000 0.558 296 K N 0.307 120.771 120.400 0.108 0.000 2.589 296 K HA 0.262 4.583 4.320 0.001 0.000 0.298 296 K C -1.746 174.995 176.600 0.235 0.000 1.136 296 K CA -0.537 55.843 56.287 0.155 0.000 1.020 296 K CB 0.520 33.056 32.500 0.060 0.000 1.345 296 K HN -0.048 nan 8.250 nan 0.000 0.478 297 L N 2.926 124.319 121.223 0.284 0.000 2.307 297 L HA 0.527 4.867 4.340 0.001 0.000 0.282 297 L C -0.251 176.761 176.870 0.237 0.000 1.051 297 L CA 0.074 55.084 54.840 0.284 0.000 0.804 297 L CB 1.859 44.118 42.059 0.334 0.000 1.197 297 L HN 0.692 nan 8.230 nan 0.000 0.431 298 S N 2.445 118.253 115.700 0.180 0.000 2.648 298 S HA 0.856 5.326 4.470 0.001 0.000 0.305 298 S C -0.870 173.783 174.600 0.090 0.000 1.094 298 S CA -0.857 57.425 58.200 0.137 0.000 0.983 298 S CB 2.284 65.533 63.200 0.082 0.000 1.101 298 S HN 0.552 nan 8.310 nan 0.000 0.514 299 Q N 0.171 119.981 119.800 0.018 0.000 2.426 299 Q HA 0.575 4.915 4.340 0.001 0.000 0.278 299 Q C -2.187 173.691 176.000 -0.203 0.000 1.007 299 Q CA -0.789 54.882 55.803 -0.221 0.000 0.850 299 Q CB 1.770 30.319 28.738 -0.314 0.000 1.427 299 Q HN 0.908 nan 8.270 nan 0.000 0.391 300 Y N -0.344 119.664 120.300 -0.486 0.000 2.744 300 Y HA 0.783 5.333 4.550 0.001 0.000 0.330 300 Y C -1.901 173.520 175.900 -0.798 0.000 1.263 300 Y CA -1.279 56.459 58.100 -0.603 0.000 1.065 300 Y CB 1.049 39.322 38.460 -0.312 0.000 1.306 300 Y HN 0.417 nan 8.280 nan 0.000 0.459 301 F N 0.790 120.751 119.950 0.019 0.000 2.598 301 F HA 0.740 5.268 4.527 0.001 0.000 0.327 301 F C -0.517 175.245 175.800 -0.064 0.000 1.057 301 F CA -1.278 56.651 58.000 -0.120 0.000 0.957 301 F CB 2.100 41.095 39.000 -0.008 0.000 1.278 301 F HN 0.293 nan 8.300 nan 0.000 0.484 302 I N 1.745 122.316 120.570 0.003 0.000 2.464 302 I HA 0.297 4.467 4.170 0.001 0.000 0.277 302 I C -0.941 175.154 176.117 -0.038 0.000 1.040 302 I CA -0.460 60.780 61.300 -0.100 0.000 1.153 302 I CB 1.400 39.257 38.000 -0.240 0.000 1.274 302 I HN 0.590 nan 8.210 nan 0.000 0.469 303 Q N 4.894 124.690 119.800 -0.006 0.000 2.257 303 Q HA 0.190 4.530 4.340 0.001 0.000 0.255 303 Q C -0.125 175.861 176.000 -0.024 0.000 0.920 303 Q CA -0.195 55.603 55.803 -0.008 0.000 0.927 303 Q CB 0.998 29.698 28.738 -0.064 0.000 1.229 303 Q HN 0.495 nan 8.270 nan 0.000 0.433 304 D N 3.139 123.532 120.400 -0.013 0.000 2.811 304 D HA -0.214 4.426 4.640 0.001 0.000 0.231 304 D C 0.435 176.742 176.300 0.013 0.000 1.157 304 D CA 1.686 55.683 54.000 -0.005 0.000 0.716 304 D CB -1.063 39.727 40.800 -0.016 0.000 1.077 304 D HN 1.061 nan 8.370 nan 0.000 0.428 305 G N -0.368 108.444 108.800 0.020 0.000 2.143 305 G HA2 -0.351 3.609 3.960 0.001 0.000 0.249 305 G HA3 -0.351 3.609 3.960 0.001 0.000 0.249 305 G C 0.218 175.167 174.900 0.082 0.000 0.981 305 G CA 0.470 45.610 45.100 0.066 0.000 0.665 305 G HN 0.501 nan 8.290 nan 0.000 0.528 306 R N 0.019 120.523 120.500 0.005 0.000 2.534 306 R HA 0.464 4.804 4.340 0.001 0.000 0.301 306 R C 0.296 176.469 176.300 -0.212 0.000 0.961 306 R CA -0.918 55.162 56.100 -0.032 0.000 0.871 306 R CB 1.725 32.020 30.300 -0.008 0.000 1.170 306 R HN 0.205 nan 8.270 nan 0.000 0.446 307 K N 3.060 123.139 120.400 -0.535 0.000 2.527 307 K HA 0.048 4.369 4.320 0.001 0.000 0.278 307 K C -0.590 175.882 176.600 -0.212 0.000 0.981 307 K CA 0.601 56.471 56.287 -0.697 0.000 1.009 307 K CB 0.459 32.333 32.500 -1.043 0.000 0.895 307 K HN 0.530 nan 8.250 nan 0.000 0.493 308 I N 4.541 125.096 120.570 -0.026 0.000 2.497 308 I HA 0.121 4.291 4.170 0.001 0.000 0.284 308 I C -0.651 175.627 176.117 0.269 0.000 1.060 308 I CA -0.589 60.814 61.300 0.171 0.000 1.071 308 I CB 1.835 40.005 38.000 0.283 0.000 1.216 308 I HN 0.638 nan 8.210 nan 0.000 0.442 309 E N 6.701 127.002 120.200 0.168 0.000 2.216 309 E HA 0.482 4.833 4.350 0.001 0.000 0.279 309 E C -0.610 176.040 176.600 0.083 0.000 0.997 309 E CA -0.815 55.639 56.400 0.091 0.000 0.817 309 E CB 2.291 31.982 29.700 -0.014 0.000 1.096 309 E HN 0.446 nan 8.360 nan 0.000 0.393 310 I N 4.278 124.829 120.570 -0.031 0.000 2.517 310 I HA 0.069 4.239 4.170 0.001 0.000 0.285 310 I C -2.016 173.948 176.117 -0.254 0.000 1.106 310 I CA -1.746 59.406 61.300 -0.248 0.000 1.402 310 I CB 0.045 38.030 38.000 -0.024 0.000 1.399 310 I HN 0.210 nan 8.210 nan 0.000 0.535 311 P HA 0.123 nan 4.420 nan 0.000 0.269 311 P C -2.367 174.907 177.300 -0.044 0.000 1.209 311 P CA -0.884 62.099 63.100 -0.195 0.000 0.776 311 P CB -0.097 31.465 31.700 -0.228 0.000 0.876 312 P HA 0.272 nan 4.420 nan 0.000 0.277 312 P C -2.652 174.692 177.300 0.074 0.000 1.271 312 P CA -1.966 61.148 63.100 0.025 0.000 0.795 312 P CB -0.863 30.829 31.700 -0.013 0.000 1.101 313 P HA 0.087 nan 4.420 nan 0.000 0.276 313 P C 0.939 178.213 177.300 -0.043 0.000 1.230 313 P CA 0.253 63.393 63.100 0.067 0.000 0.776 313 P CB -0.044 31.740 31.700 0.141 0.000 0.888 314 T N -1.777 112.656 114.554 -0.200 0.000 3.081 314 T HA 0.056 4.406 4.350 0.001 0.000 0.250 314 T C 0.012 174.598 174.700 -0.191 0.000 1.100 314 T CA -0.227 61.727 62.100 -0.244 0.000 1.038 314 T CB -0.532 68.111 68.868 -0.375 0.000 0.962 314 T HN 0.271 nan 8.240 nan 0.000 0.516 315 W N 2.870 124.189 121.300 0.032 0.000 2.419 315 W HA 0.501 5.161 4.660 0.001 0.000 0.312 315 W C 0.502 177.021 176.519 0.001 0.000 1.323 315 W CA -1.229 56.134 57.345 0.030 0.000 1.293 315 W CB 0.430 29.913 29.460 0.039 0.000 1.324 315 W HN -0.037 nan 8.180 nan 0.000 0.512 316 E N 1.231 121.583 120.200 0.253 0.000 2.415 316 E HA 0.137 4.488 4.350 0.001 0.000 0.262 316 E C 1.102 177.768 176.600 0.111 0.000 1.038 316 E CA 1.058 57.542 56.400 0.139 0.000 0.921 316 E CB 1.055 30.821 29.700 0.109 0.000 0.950 316 E HN 0.746 nan 8.360 nan 0.000 0.438 317 G N 2.552 111.393 108.800 0.068 0.000 2.132 317 G HA2 -0.256 3.705 3.960 0.001 0.000 0.234 317 G HA3 -0.256 3.705 3.960 0.001 0.000 0.234 317 G C 0.197 175.114 174.900 0.028 0.000 0.989 317 G CA 0.380 45.504 45.100 0.040 0.000 0.676 317 G HN 0.378 nan 8.290 nan 0.000 0.522 318 M N 0.009 119.636 119.600 0.045 0.000 2.518 318 M HA 0.427 4.907 4.480 0.001 0.000 0.300 318 M C -2.474 173.850 176.300 0.040 0.000 1.175 318 M CA -2.008 53.315 55.300 0.037 0.000 0.890 318 M CB 2.233 34.867 32.600 0.056 0.000 1.710 318 M HN -0.100 nan 8.290 nan 0.000 0.453 319 P HA -0.019 nan 4.420 nan 0.000 0.266 319 P C -0.791 176.523 177.300 0.024 0.000 1.195 319 P CA 0.077 63.191 63.100 0.023 0.000 0.768 319 P CB 0.287 31.998 31.700 0.019 0.000 0.838 320 N N 1.901 120.608 118.700 0.011 0.000 3.103 320 N HA 0.136 4.877 4.740 0.001 0.000 0.305 320 N C -0.915 174.589 175.510 -0.010 0.000 1.232 320 N CA 0.096 53.148 53.050 0.004 0.000 1.190 320 N CB -0.294 38.192 38.487 -0.001 0.000 1.461 320 N HN 0.406 nan 8.380 nan 0.000 0.538 321 S N -0.221 115.470 115.700 -0.016 0.000 2.606 321 S HA 0.027 4.497 4.470 0.001 0.000 0.290 321 S C 0.711 175.230 174.600 -0.135 0.000 1.103 321 S CA -0.458 57.708 58.200 -0.057 0.000 0.870 321 S CB 0.592 63.763 63.200 -0.048 0.000 1.077 321 S HN 0.260 nan 8.310 nan 0.000 0.448 322 S N 1.800 117.356 115.700 -0.238 0.000 2.428 322 S HA 0.093 4.564 4.470 0.001 0.000 0.230 322 S C 0.462 174.715 174.600 -0.578 0.000 1.014 322 S CA 0.381 58.205 58.200 -0.628 0.000 0.957 322 S CB -0.817 62.139 63.200 -0.407 0.000 0.784 322 S HN 0.860 nan 8.310 nan 0.000 0.499 323 E N 1.160 121.223 120.200 -0.227 0.000 2.459 323 E HA 0.161 4.511 4.350 0.001 0.000 0.264 323 E C -0.563 176.003 176.600 -0.056 0.000 1.055 323 E CA 0.146 56.497 56.400 -0.081 0.000 0.957 323 E CB 0.269 29.962 29.700 -0.012 0.000 0.952 323 E HN 0.453 nan 8.360 nan 0.000 0.448 324 I N 2.059 122.657 120.570 0.046 0.000 2.325 324 I HA 0.204 4.375 4.170 0.001 0.000 0.291 324 I C 0.321 176.617 176.117 0.299 0.000 1.019 324 I CA -0.215 61.155 61.300 0.117 0.000 1.302 324 I CB 0.698 38.714 38.000 0.025 0.000 1.401 324 I HN 0.501 nan 8.210 nan 0.000 0.485 325 T N 2.255 117.003 114.554 0.324 0.000 2.843 325 T HA 0.412 4.763 4.350 0.001 0.000 0.302 325 T C -2.404 172.435 174.700 0.231 0.000 1.232 325 T CA -1.830 60.367 62.100 0.162 0.000 1.009 325 T CB 2.034 70.907 68.868 0.009 0.000 1.254 325 T HN 0.111 nan 8.240 nan 0.000 0.504 326 P HA -0.171 nan 4.420 nan 0.000 0.218 326 P C 1.372 178.768 177.300 0.159 0.000 1.154 326 P CA 1.362 64.534 63.100 0.119 0.000 0.872 326 P CB 0.180 31.837 31.700 -0.072 0.000 0.790 327 E N -0.793 119.455 120.200 0.081 0.000 2.072 327 E HA -0.117 4.234 4.350 0.001 0.000 0.190 327 E C 1.851 178.500 176.600 0.081 0.000 0.982 327 E CA 0.698 57.138 56.400 0.067 0.000 0.803 327 E CB -1.220 28.497 29.700 0.029 0.000 0.755 327 E HN 0.022 nan 8.360 nan 0.000 0.453 328 L N 0.282 121.559 121.223 0.089 0.000 1.961 328 L HA -0.211 4.130 4.340 0.001 0.000 0.210 328 L C 2.175 179.088 176.870 0.072 0.000 1.072 328 L CA 2.088 56.970 54.840 0.071 0.000 0.749 328 L CB -1.141 40.964 42.059 0.077 0.000 0.889 328 L HN 0.297 nan 8.230 nan 0.000 0.432 329 c N 0.021 118.707 118.600 0.144 0.000 2.403 329 c HA -0.157 4.413 4.570 0.001 0.000 0.277 329 c C 2.991 177.270 174.090 0.315 0.000 1.248 329 c CA 1.107 57.546 56.329 0.184 0.000 1.762 329 c CB -1.100 41.576 42.510 0.276 0.000 2.014 329 c HN 0.650 nan 8.230 nan 0.000 0.486 330 S N 1.227 117.084 115.700 0.262 0.000 2.349 330 S HA -0.187 4.284 4.470 0.001 0.000 0.216 330 S C 2.078 176.786 174.600 0.180 0.000 1.033 330 S CA 2.220 60.570 58.200 0.251 0.000 1.021 330 S CB -1.127 62.170 63.200 0.161 0.000 0.968 330 S HN 0.849 nan 8.310 nan 0.000 0.426 331 T N 2.670 117.267 114.554 0.072 0.000 2.751 331 T HA -0.251 4.100 4.350 0.001 0.000 0.268 331 T C 1.705 176.330 174.700 -0.125 0.000 1.045 331 T CA 1.830 63.927 62.100 -0.005 0.000 1.142 331 T CB -0.937 67.924 68.868 -0.012 0.000 0.851 331 T HN 0.637 nan 8.240 nan 0.000 0.474 332 M N -1.230 118.227 119.600 -0.240 0.000 2.686 332 M HA 0.372 4.852 4.480 0.001 0.000 0.246 332 M C 1.055 176.961 176.300 -0.656 0.000 1.096 332 M CA 1.091 56.015 55.300 -0.628 0.000 1.076 332 M CB -0.717 31.447 32.600 -0.727 0.000 1.504 332 M HN 0.114 nan 8.290 nan 0.000 0.524 333 F N 0.104 119.995 119.950 -0.097 0.000 2.678 333 F HA 0.229 4.756 4.527 0.001 0.000 0.305 333 F C 1.028 176.812 175.800 -0.026 0.000 1.090 333 F CA -0.012 57.969 58.000 -0.031 0.000 1.272 333 F CB 0.350 39.351 39.000 0.001 0.000 1.060 333 F HN 0.175 nan 8.300 nan 0.000 0.576 334 D N -1.220 119.216 120.400 0.061 0.000 2.423 334 D HA 0.035 4.675 4.640 0.001 0.000 0.212 334 D C 2.079 178.367 176.300 -0.021 0.000 1.060 334 D CA 0.496 54.517 54.000 0.034 0.000 0.872 334 D CB 0.579 41.400 40.800 0.034 0.000 1.012 334 D HN -0.053 nan 8.370 nan 0.000 0.503 335 V N 0.281 120.130 119.914 -0.109 0.000 2.341 335 V HA -0.067 4.053 4.120 0.001 0.000 0.240 335 V C 1.477 177.546 176.094 -0.042 0.000 1.035 335 V CA 1.006 63.219 62.300 -0.145 0.000 1.033 335 V CB -0.303 31.352 31.823 -0.280 0.000 0.678 335 V HN 0.151 nan 8.190 nan 0.000 0.464 336 F N 0.252 120.038 119.950 -0.274 0.000 2.615 336 F HA 0.190 4.718 4.527 0.001 0.000 0.297 336 F C 1.716 177.432 175.800 -0.140 0.000 1.124 336 F CA 0.135 57.972 58.000 -0.273 0.000 1.451 336 F CB -1.639 37.173 39.000 -0.314 0.000 1.103 336 F HN 0.342 nan 8.300 nan 0.000 0.569 337 N N -0.511 118.251 118.700 0.104 0.000 2.929 337 N HA -0.197 4.543 4.740 0.001 0.000 0.234 337 N C -0.746 174.883 175.510 0.198 0.000 0.908 337 N CA 0.674 53.799 53.050 0.125 0.000 0.993 337 N CB -0.997 37.530 38.487 0.067 0.000 1.075 337 N HN 0.200 nan 8.380 nan 0.000 0.603 338 D N 1.087 121.636 120.400 0.248 0.000 2.443 338 D HA -0.065 4.575 4.640 0.001 0.000 0.234 338 D C 0.883 177.398 176.300 0.357 0.000 1.172 338 D CA 0.255 54.430 54.000 0.292 0.000 0.878 338 D CB 0.307 41.291 40.800 0.308 0.000 1.204 338 D HN 0.266 nan 8.370 nan 0.000 0.453 339 R N 1.159 121.732 120.500 0.122 0.000 2.485 339 R HA -0.133 4.208 4.340 0.001 0.000 0.304 339 R C 0.012 176.171 176.300 -0.234 0.000 0.934 339 R CA 0.251 56.280 56.100 -0.119 0.000 1.102 339 R CB -0.282 29.774 30.300 -0.406 0.000 0.906 339 R HN 0.406 nan 8.270 nan 0.000 0.407 340 N N 2.744 121.164 118.700 -0.467 0.000 3.243 340 N HA -0.040 4.700 4.740 0.001 0.000 0.310 340 N C 0.848 176.014 175.510 -0.574 0.000 1.313 340 N CA -0.388 52.037 53.050 -1.041 0.000 1.204 340 N CB 0.199 38.204 38.487 -0.803 0.000 1.483 340 N HN 0.483 nan 8.380 nan 0.000 0.553 341 R N 0.430 120.696 120.500 -0.390 0.000 2.117 341 R HA -0.176 4.164 4.340 0.001 0.000 0.243 341 R C 1.314 177.568 176.300 -0.076 0.000 1.143 341 R CA 1.509 57.493 56.100 -0.193 0.000 0.968 341 R CB -0.699 29.564 30.300 -0.061 0.000 0.863 341 R HN 0.432 nan 8.270 nan 0.000 0.444 342 F N 1.315 121.112 119.950 -0.255 0.000 2.120 342 F HA -0.210 4.318 4.527 0.001 0.000 0.300 342 F C 2.069 177.768 175.800 -0.169 0.000 1.095 342 F CA 2.053 59.949 58.000 -0.172 0.000 1.249 342 F CB -0.253 38.676 39.000 -0.118 0.000 0.995 342 F HN 0.194 nan 8.300 nan 0.000 0.480 343 E N -0.359 119.735 120.200 -0.177 0.000 2.158 343 E HA -0.173 4.178 4.350 0.001 0.000 0.191 343 E C 2.161 178.659 176.600 -0.170 0.000 0.982 343 E CA 0.789 57.078 56.400 -0.185 0.000 0.823 343 E CB -0.089 29.515 29.700 -0.160 0.000 0.766 343 E HN 0.548 nan 8.360 nan 0.000 0.468 344 E N 0.117 120.219 120.200 -0.164 0.000 2.049 344 E HA -0.192 4.158 4.350 0.001 0.000 0.198 344 E C 1.942 178.477 176.600 -0.109 0.000 1.007 344 E CA 1.798 58.124 56.400 -0.125 0.000 0.809 344 E CB -0.039 29.591 29.700 -0.117 0.000 0.749 344 E HN 0.181 nan 8.360 nan 0.000 0.450 345 V N -2.408 117.435 119.914 -0.118 0.000 3.611 345 V HA 0.307 4.428 4.120 0.001 0.000 0.281 345 V C 0.979 176.988 176.094 -0.140 0.000 1.247 345 V CA 0.719 62.956 62.300 -0.105 0.000 1.198 345 V CB -0.381 31.398 31.823 -0.074 0.000 0.977 345 V HN 0.390 nan 8.190 nan 0.000 0.445 346 G N -1.834 106.871 108.800 -0.158 0.000 2.179 346 G HA2 0.108 4.068 3.960 0.001 0.000 0.220 346 G HA3 0.108 4.068 3.960 0.001 0.000 0.220 346 G C 1.270 176.045 174.900 -0.207 0.000 0.990 346 G CA 0.232 45.245 45.100 -0.145 0.000 0.646 346 G HN 2.000 nan 8.290 nan 0.000 0.517 347 G N -0.278 108.303 108.800 -0.366 0.000 2.611 347 G HA2 -0.256 3.704 3.960 0.001 0.000 0.301 347 G HA3 -0.256 3.704 3.960 0.001 0.000 0.301 347 G C 0.907 175.396 174.900 -0.684 0.000 1.233 347 G CA 0.878 45.631 45.100 -0.579 0.000 0.993 347 G HN 1.172 nan 8.290 nan 0.000 0.553 348 F N 1.171 120.908 119.950 -0.354 0.000 2.293 348 F HA 0.169 4.696 4.527 0.001 0.000 0.297 348 F C 2.722 178.474 175.800 -0.080 0.000 1.089 348 F CA 1.867 59.796 58.000 -0.119 0.000 1.377 348 F CB 0.093 39.132 39.000 0.064 0.000 1.051 348 F HN 0.500 nan 8.300 nan 0.000 0.511 349 E N 0.268 120.559 120.200 0.151 0.000 2.106 349 E HA -0.242 4.108 4.350 0.001 0.000 0.192 349 E C 2.009 178.634 176.600 0.041 0.000 0.984 349 E CA 1.059 57.525 56.400 0.110 0.000 0.806 349 E CB -0.196 29.534 29.700 0.050 0.000 0.750 349 E HN 0.298 nan 8.360 nan 0.000 0.458 350 Q N 0.036 119.807 119.800 -0.048 0.000 2.061 350 Q HA -0.132 4.209 4.340 0.001 0.000 0.204 350 Q C 2.102 178.065 176.000 -0.062 0.000 0.984 350 Q CA 1.561 57.319 55.803 -0.074 0.000 0.846 350 Q CB -0.610 28.047 28.738 -0.136 0.000 0.902 350 Q HN 0.405 nan 8.270 nan 0.000 0.421 351 L N 0.517 121.669 121.223 -0.118 0.000 2.042 351 L HA -0.190 4.150 4.340 0.001 0.000 0.210 351 L C 1.449 178.333 176.870 0.023 0.000 1.076 351 L CA 2.199 56.983 54.840 -0.093 0.000 0.749 351 L CB -0.937 40.954 42.059 -0.281 0.000 0.893 351 L HN 0.339 nan 8.230 nan 0.000 0.432 352 N N -0.287 118.486 118.700 0.121 0.000 2.137 352 N HA -0.234 4.506 4.740 0.001 0.000 0.190 352 N C 1.371 176.938 175.510 0.095 0.000 1.017 352 N CA 1.746 54.901 53.050 0.176 0.000 0.859 352 N CB -0.301 38.304 38.487 0.198 0.000 1.002 352 N HN 0.648 nan 8.380 nan 0.000 0.428 353 N N 1.030 119.764 118.700 0.056 0.000 2.135 353 N HA -0.033 4.707 4.740 0.001 0.000 0.186 353 N C 1.947 177.475 175.510 0.030 0.000 1.027 353 N CA 0.822 53.895 53.050 0.038 0.000 0.849 353 N CB -0.184 38.317 38.487 0.023 0.000 1.002 353 N HN 0.145 nan 8.380 nan 0.000 0.425 354 A N 2.200 125.032 122.820 0.021 0.000 1.915 354 A HA -0.200 4.120 4.320 0.001 0.000 0.220 354 A C 2.100 179.685 177.584 0.002 0.000 1.198 354 A CA 1.278 53.323 52.037 0.014 0.000 0.647 354 A CB -0.987 18.022 19.000 0.014 0.000 0.825 354 A HN 0.250 nan 8.150 nan 0.000 0.456 355 L N -1.343 119.890 121.223 0.017 0.000 2.189 355 L HA -0.192 4.148 4.340 0.001 0.000 0.214 355 L C 2.255 179.134 176.870 0.016 0.000 1.097 355 L CA 2.029 56.880 54.840 0.018 0.000 0.764 355 L CB -0.645 41.472 42.059 0.096 0.000 0.900 355 L HN 0.499 nan 8.230 nan 0.000 0.436 356 R N -1.586 118.930 120.500 0.027 0.000 2.362 356 R HA 0.163 4.503 4.340 0.001 0.000 0.227 356 R C 0.236 176.545 176.300 0.015 0.000 0.905 356 R CA -0.262 55.855 56.100 0.029 0.000 1.067 356 R CB 0.385 30.709 30.300 0.040 0.000 1.078 356 R HN 0.024 nan 8.270 nan 0.000 0.516 357 V N 2.532 122.448 119.914 0.004 0.000 2.775 357 V HA 0.189 4.309 4.120 0.001 0.000 0.299 357 V C -2.123 173.960 176.094 -0.018 0.000 1.062 357 V CA -2.097 60.205 62.300 0.003 0.000 1.063 357 V CB 0.853 32.684 31.823 0.013 0.000 0.994 357 V HN -0.031 nan 8.190 nan 0.000 0.483 358 P HA 0.366 nan 4.420 nan 0.000 0.279 358 P C -0.685 176.600 177.300 -0.025 0.000 1.239 358 P CA -0.213 62.871 63.100 -0.027 0.000 0.789 358 P CB 0.529 32.220 31.700 -0.015 0.000 0.933 359 M N 1.488 121.058 119.600 -0.050 0.000 2.528 359 M HA 0.388 4.868 4.480 0.001 0.000 0.321 359 M C -0.523 175.855 176.300 0.130 0.000 1.153 359 M CA -1.119 54.194 55.300 0.022 0.000 0.951 359 M CB 1.989 34.560 32.600 -0.048 0.000 1.705 359 M HN -0.029 nan 8.290 nan 0.000 0.451 360 V N 2.821 122.797 119.914 0.103 0.000 2.607 360 V HA 0.295 4.415 4.120 0.001 0.000 0.289 360 V C -0.264 175.875 176.094 0.075 0.000 1.053 360 V CA -0.711 61.606 62.300 0.027 0.000 0.996 360 V CB 1.763 33.441 31.823 -0.242 0.000 0.995 360 V HN 0.741 nan 8.190 nan 0.000 0.476 361 L N 6.394 127.631 121.223 0.023 0.000 2.257 361 L HA 0.607 4.947 4.340 0.001 0.000 0.290 361 L C -0.510 176.163 176.870 -0.329 0.000 1.044 361 L CA 0.284 54.996 54.840 -0.213 0.000 0.810 361 L CB 1.058 42.941 42.059 -0.293 0.000 1.193 361 L HN 0.454 nan 8.230 nan 0.000 0.425 362 V N 5.704 125.298 119.914 -0.533 0.000 2.815 362 V HA 0.648 4.768 4.120 0.001 0.000 0.314 362 V C -0.097 175.523 176.094 -0.790 0.000 1.064 362 V CA -0.674 61.256 62.300 -0.617 0.000 0.952 362 V CB 1.840 33.146 31.823 -0.862 0.000 1.020 362 V HN 0.879 nan 8.190 nan 0.000 0.439 363 M N 2.777 122.000 119.600 -0.628 0.000 2.322 363 M HA 0.753 5.233 4.480 0.001 0.000 0.285 363 M C -0.575 175.611 176.300 -0.191 0.000 1.119 363 M CA -0.335 54.586 55.300 -0.632 0.000 0.953 363 M CB 2.090 34.001 32.600 -1.147 0.000 1.701 363 M HN 0.701 nan 8.290 nan 0.000 0.479 364 S N 2.645 118.432 115.700 0.144 0.000 2.903 364 S HA 0.909 5.379 4.470 0.001 0.000 0.314 364 S C -1.393 173.555 174.600 0.580 0.000 1.177 364 S CA -0.739 57.668 58.200 0.345 0.000 0.859 364 S CB 2.489 65.879 63.200 0.317 0.000 1.265 364 S HN 0.954 nan 8.310 nan 0.000 0.584 365 I N 1.763 122.679 120.570 0.577 0.000 2.702 365 I HA 0.479 4.649 4.170 0.001 0.000 0.287 365 I C -2.184 174.347 176.117 0.690 0.000 1.342 365 I CA -0.310 61.311 61.300 0.534 0.000 1.063 365 I CB 1.606 39.825 38.000 0.365 0.000 1.331 365 I HN 1.029 nan 8.210 nan 0.000 0.427 366 W N 6.825 128.315 121.300 0.317 0.000 2.988 366 W HA 0.604 5.265 4.660 0.001 0.000 0.355 366 W C -2.086 174.638 176.519 0.342 0.000 1.233 366 W CA -0.910 56.680 57.345 0.407 0.000 1.176 366 W CB 0.449 30.136 29.460 0.378 0.000 1.477 366 W HN 0.482 nan 8.180 nan 0.000 0.582 367 D N -0.240 120.531 120.400 0.618 0.000 2.527 367 D HA 0.399 5.040 4.640 0.001 0.000 0.233 367 D C -1.581 175.119 176.300 0.667 0.000 1.063 367 D CA -0.453 53.798 54.000 0.419 0.000 0.880 367 D CB 2.206 43.325 40.800 0.530 0.000 1.457 367 D HN 0.232 nan 8.370 nan 0.000 0.475 368 D N -0.822 119.854 120.400 0.460 0.000 2.464 368 D HA 0.231 4.871 4.640 0.001 0.000 0.243 368 D C -0.186 176.416 176.300 0.504 0.000 1.104 368 D CA -0.435 53.916 54.000 0.584 0.000 0.883 368 D CB 0.409 41.486 40.800 0.462 0.000 1.050 368 D HN 0.314 nan 8.370 nan 0.000 0.524 369 H N 2.356 121.653 119.070 0.379 0.000 2.555 369 H HA 0.059 4.615 4.556 0.001 0.000 0.269 369 H C 0.439 175.846 175.328 0.131 0.000 0.988 369 H CA 0.878 57.065 56.048 0.231 0.000 1.178 369 H CB 0.074 29.953 29.762 0.194 0.000 1.373 369 H HN 0.517 nan 8.280 nan 0.000 0.588 370 Y N -1.424 119.014 120.300 0.229 0.000 2.503 370 Y HA 0.397 4.948 4.550 0.001 0.000 0.277 370 Y C 1.976 177.968 175.900 0.154 0.000 1.102 370 Y CA 0.682 58.860 58.100 0.130 0.000 1.261 370 Y CB 0.665 39.141 38.460 0.025 0.000 1.096 370 Y HN 0.209 nan 8.280 nan 0.000 0.546 371 A N -1.066 121.962 122.820 0.346 0.000 2.591 371 A HA 0.220 4.540 4.320 0.001 0.000 0.204 371 A C 0.521 178.273 177.584 0.281 0.000 1.410 371 A CA 0.354 52.600 52.037 0.348 0.000 1.065 371 A CB -0.231 18.972 19.000 0.339 0.000 1.362 371 A HN 0.390 nan 8.150 nan 0.000 0.566 372 N N -2.034 116.810 118.700 0.240 0.000 2.869 372 N HA -0.229 4.511 4.740 0.001 0.000 0.249 372 N C 0.315 175.856 175.510 0.052 0.000 1.104 372 N CA 0.499 53.629 53.050 0.132 0.000 0.760 372 N CB -1.147 37.388 38.487 0.080 0.000 1.108 372 N HN 0.501 nan 8.380 nan 0.000 0.555 373 M N -0.890 118.777 119.600 0.112 0.000 2.856 373 M HA -0.214 4.266 4.480 0.001 0.000 0.189 373 M C 0.718 176.740 176.300 -0.463 0.000 0.612 373 M CA 0.620 55.783 55.300 -0.228 0.000 0.673 373 M CB -0.890 31.466 32.600 -0.407 0.000 2.440 373 M HN 0.440 nan 8.290 nan 0.000 0.437 374 L N -0.320 120.841 121.223 -0.102 0.000 2.191 374 L HA -0.159 4.182 4.340 0.001 0.000 0.212 374 L C 2.069 178.824 176.870 -0.192 0.000 1.103 374 L CA 2.277 57.068 54.840 -0.082 0.000 0.769 374 L CB -0.807 41.371 42.059 0.198 0.000 0.908 374 L HN 0.877 nan 8.230 nan 0.000 0.438 375 W N -0.060 120.997 121.300 -0.406 0.000 2.848 375 W HA -0.093 4.568 4.660 0.000 0.000 0.241 375 W C 1.386 177.761 176.519 -0.240 0.000 1.289 375 W CA 0.254 57.298 57.345 -0.500 0.000 1.396 375 W CB -0.497 28.528 29.460 -0.726 0.000 1.138 375 W HN 0.205 nan 8.180 nan 0.000 0.677 376 L N 1.150 121.831 121.223 -0.903 0.000 2.815 376 L HA 0.250 4.590 4.340 0.001 0.000 0.241 376 L C 1.024 177.577 176.870 -0.528 0.000 1.047 376 L CA 1.551 55.871 54.840 -0.866 0.000 0.939 376 L CB -0.274 40.908 42.059 -1.461 0.000 1.490 376 L HN -0.163 nan 8.230 nan 0.000 0.510 377 D N -1.306 118.802 120.400 -0.486 0.000 2.469 377 D HA 0.325 4.965 4.640 0.001 0.000 0.215 377 D C 0.669 176.756 176.300 -0.355 0.000 1.154 377 D CA 0.445 54.221 54.000 -0.373 0.000 0.832 377 D CB 0.599 41.209 40.800 -0.317 0.000 1.008 377 D HN 0.210 nan 8.370 nan 0.000 0.506 378 S N -1.150 114.373 115.700 -0.295 0.000 3.888 378 S HA 0.562 5.032 4.470 0.001 0.000 0.307 378 S C -1.740 172.781 174.600 -0.132 0.000 1.122 378 S CA -0.649 57.419 58.200 -0.220 0.000 1.197 378 S CB 0.116 63.230 63.200 -0.142 0.000 1.533 378 S HN -0.039 nan 8.310 nan 0.000 0.696 379 I N 1.771 122.315 120.570 -0.044 0.000 2.354 379 I HA 0.605 4.775 4.170 0.001 0.000 0.292 379 I C -1.068 175.112 176.117 0.105 0.000 0.989 379 I CA -0.222 61.083 61.300 0.009 0.000 1.188 379 I CB 1.160 39.155 38.000 -0.009 0.000 1.342 379 I HN 0.588 nan 8.210 nan 0.000 0.457 380 Y N 7.803 128.080 120.300 -0.039 0.000 2.480 380 Y HA 0.539 5.089 4.550 0.001 0.000 0.329 380 Y C -2.665 173.231 175.900 -0.006 0.000 1.127 380 Y CA -1.596 56.506 58.100 0.003 0.000 1.037 380 Y CB 2.165 40.659 38.460 0.057 0.000 1.320 380 Y HN 0.438 nan 8.280 nan 0.000 0.446 381 P HA 0.256 nan 4.420 nan 0.000 0.276 381 P C -2.479 174.624 177.300 -0.328 0.000 1.261 381 P CA -1.483 61.191 63.100 -0.711 0.000 0.800 381 P CB 0.784 32.175 31.700 -0.515 0.000 1.066 382 P HA -0.031 nan 4.420 nan 0.000 0.252 382 P C 0.604 177.838 177.300 -0.111 0.000 1.265 382 P CA 0.831 63.842 63.100 -0.150 0.000 0.775 382 P CB 0.135 31.762 31.700 -0.122 0.000 1.128 383 E N 0.096 120.222 120.200 -0.122 0.000 2.250 383 E HA -0.036 4.314 4.350 0.001 0.000 0.192 383 E C 1.556 178.121 176.600 -0.058 0.000 0.986 383 E CA 0.834 57.186 56.400 -0.080 0.000 0.849 383 E CB 0.271 29.924 29.700 -0.078 0.000 0.797 383 E HN 0.288 nan 8.360 nan 0.000 0.482 384 K N -0.501 119.862 120.400 -0.061 0.000 2.658 384 K HA 0.034 4.355 4.320 0.001 0.000 0.202 384 K C 0.087 176.662 176.600 -0.040 0.000 1.563 384 K CA 0.098 56.359 56.287 -0.044 0.000 1.129 384 K CB 1.122 33.598 32.500 -0.040 0.000 1.507 384 K HN -0.121 nan 8.250 nan 0.000 0.581 385 E N -0.553 119.619 120.200 -0.047 0.000 8.642 385 E HA -0.251 4.099 4.350 0.001 0.000 0.164 385 E C 0.183 176.766 176.600 -0.028 0.000 1.456 385 E CA 1.904 58.283 56.400 -0.035 0.000 2.535 385 E CB -0.837 28.850 29.700 -0.022 0.000 1.326 385 E HN 0.581 nan 8.360 nan 0.000 0.431 386 G N 1.093 109.888 108.800 -0.008 0.000 2.337 386 G HA2 -0.325 3.636 3.960 0.001 0.000 0.290 386 G HA3 -0.325 3.636 3.960 0.001 0.000 0.290 386 G C 0.309 175.205 174.900 -0.007 0.000 1.003 386 G CA 1.901 47.007 45.100 0.010 0.000 0.825 386 G HN 0.590 nan 8.290 nan 0.000 0.509 387 Q N -1.315 118.452 119.800 -0.054 0.000 2.416 387 Q HA 0.692 5.033 4.340 0.001 0.000 0.279 387 Q C -3.056 172.793 176.000 -0.252 0.000 1.101 387 Q CA -2.607 53.127 55.803 -0.115 0.000 0.830 387 Q CB 1.496 30.168 28.738 -0.111 0.000 1.402 387 Q HN 0.096 nan 8.270 nan 0.000 0.445 388 P HA 0.104 nan 4.420 nan 0.000 0.264 388 P C 0.295 177.034 177.300 -0.935 0.000 1.193 388 P CA 1.254 63.780 63.100 -0.957 0.000 0.763 388 P CB 0.294 31.400 31.700 -0.990 0.000 0.810 389 G N 2.036 110.052 108.800 -1.306 0.000 2.131 389 G HA2 -0.116 3.845 3.960 0.001 0.000 0.223 389 G HA3 -0.116 3.845 3.960 0.001 0.000 0.223 389 G C 0.695 175.235 174.900 -0.601 0.000 0.990 389 G CA 0.155 44.285 45.100 -1.616 0.000 0.671 389 G HN 0.720 nan 8.290 nan 0.000 0.521 390 A N -0.939 121.685 122.820 -0.327 0.000 2.192 390 A HA 0.799 5.120 4.320 0.001 0.000 0.208 390 A C 1.456 179.008 177.584 -0.055 0.000 1.220 390 A CA 1.527 53.487 52.037 -0.129 0.000 0.900 390 A CB 0.263 19.210 19.000 -0.088 0.000 0.937 390 A HN 1.964 nan 8.150 nan 0.000 0.487 391 A N 0.386 123.194 122.820 -0.019 0.000 2.506 391 A HA 0.590 4.911 4.320 0.001 0.000 0.320 391 A C 0.654 178.262 177.584 0.039 0.000 1.424 391 A CA -0.474 51.604 52.037 0.068 0.000 1.044 391 A CB -0.204 18.969 19.000 0.288 0.000 1.140 391 A HN 0.376 nan 8.150 nan 0.000 0.538 392 R N 1.379 121.767 120.500 -0.186 0.000 2.335 392 R HA 0.392 4.733 4.340 0.001 0.000 0.210 392 R C 0.870 176.846 176.300 -0.539 0.000 0.892 392 R CA 0.784 56.744 56.100 -0.233 0.000 1.048 392 R CB 0.974 31.147 30.300 -0.212 0.000 1.067 392 R HN 0.819 nan 8.270 nan 0.000 0.524 393 G N -1.057 107.103 108.800 -1.065 0.000 2.349 393 G HA2 0.008 3.968 3.960 0.001 0.000 0.294 393 G HA3 0.008 3.968 3.960 0.001 0.000 0.294 393 G C -1.226 173.053 174.900 -1.034 0.000 1.380 393 G CA -0.637 43.661 45.100 -1.337 0.000 0.811 393 G HN -0.085 nan 8.290 nan 0.000 0.519 394 D N -0.372 119.705 120.400 -0.539 0.000 2.328 394 D HA 0.101 4.741 4.640 0.001 0.000 0.226 394 D C 0.663 176.810 176.300 -0.256 0.000 1.066 394 D CA 0.288 54.167 54.000 -0.202 0.000 0.861 394 D CB 0.033 40.835 40.800 0.004 0.000 0.912 394 D HN 0.283 nan 8.370 nan 0.000 0.521 395 c N 2.051 120.450 118.600 -0.335 0.000 2.637 395 c HA 0.144 4.714 4.570 0.001 0.000 0.418 395 c C -1.930 172.025 174.090 -0.225 0.000 1.319 395 c CA -1.242 54.876 56.329 -0.352 0.000 1.949 395 c CB 0.363 42.655 42.510 -0.364 0.000 2.639 395 c HN 0.164 nan 8.230 nan 0.000 0.594 396 P HA 0.013 nan 4.420 nan 0.000 0.261 396 P C 0.915 178.159 177.300 -0.093 0.000 1.173 396 P CA 0.692 63.721 63.100 -0.119 0.000 0.760 396 P CB 0.364 32.002 31.700 -0.103 0.000 0.783 397 T N -1.423 113.094 114.554 -0.062 0.000 3.098 397 T HA -0.136 4.214 4.350 0.001 0.000 0.266 397 T C 0.443 175.131 174.700 -0.019 0.000 1.145 397 T CA 1.141 63.220 62.100 -0.035 0.000 1.092 397 T CB -0.845 68.010 68.868 -0.021 0.000 0.908 397 T HN 0.386 nan 8.240 nan 0.000 0.526 398 D N 1.243 121.626 120.400 -0.028 0.000 2.388 398 D HA 0.189 4.830 4.640 0.001 0.000 0.221 398 D C 0.986 177.274 176.300 -0.020 0.000 1.133 398 D CA -0.360 53.630 54.000 -0.016 0.000 0.831 398 D CB 0.093 40.884 40.800 -0.015 0.000 0.962 398 D HN 0.508 nan 8.370 nan 0.000 0.502 399 S N -0.979 114.698 115.700 -0.038 0.000 2.546 399 S HA 0.533 5.003 4.470 0.001 0.000 0.265 399 S C 1.825 176.410 174.600 -0.025 0.000 1.190 399 S CA -0.211 57.964 58.200 -0.042 0.000 1.014 399 S CB 0.255 63.400 63.200 -0.092 0.000 1.087 399 S HN 0.455 nan 8.310 nan 0.000 0.525 400 G N -0.948 107.834 108.800 -0.029 0.000 2.412 400 G HA2 -0.296 3.664 3.960 0.001 0.000 0.252 400 G HA3 -0.296 3.664 3.960 0.001 0.000 0.252 400 G C 0.298 175.209 174.900 0.020 0.000 1.038 400 G CA 0.209 45.300 45.100 -0.015 0.000 0.628 400 G HN 1.260 nan 8.290 nan 0.000 0.531 401 V N 3.668 123.589 119.914 0.012 0.000 2.546 401 V HA 0.011 4.132 4.120 0.001 0.000 0.279 401 V C 0.268 176.361 176.094 -0.001 0.000 0.968 401 V CA 0.658 62.955 62.300 -0.006 0.000 1.157 401 V CB 0.696 32.515 31.823 -0.006 0.000 0.938 401 V HN 0.257 nan 8.190 nan 0.000 0.464 402 P HA -0.322 nan 4.420 nan 0.000 0.221 402 P C 1.612 178.924 177.300 0.019 0.000 1.160 402 P CA 2.476 65.551 63.100 -0.042 0.000 0.933 402 P CB 0.098 31.548 31.700 -0.417 0.000 0.793 403 A N -0.705 122.096 122.820 -0.032 0.000 1.978 403 A HA -0.249 4.071 4.320 0.001 0.000 0.220 403 A C 2.108 179.698 177.584 0.010 0.000 1.170 403 A CA 1.926 53.957 52.037 -0.010 0.000 0.636 403 A CB -1.190 17.797 19.000 -0.021 0.000 0.810 403 A HN 0.270 nan 8.150 nan 0.000 0.448 404 E N -0.565 119.646 120.200 0.018 0.000 2.299 404 E HA -0.041 4.310 4.350 0.001 0.000 0.193 404 E C 1.787 178.421 176.600 0.058 0.000 0.998 404 E CA 1.042 57.453 56.400 0.018 0.000 0.851 404 E CB 0.036 29.742 29.700 0.011 0.000 0.795 404 E HN 0.607 nan 8.360 nan 0.000 0.492 405 V N -1.194 118.801 119.914 0.135 0.000 2.825 405 V HA 0.004 4.124 4.120 0.001 0.000 0.246 405 V C 1.738 178.071 176.094 0.397 0.000 1.068 405 V CA 0.705 63.167 62.300 0.270 0.000 1.088 405 V CB -0.259 31.736 31.823 0.287 0.000 0.733 405 V HN 0.015 nan 8.190 nan 0.000 0.468 406 E N 1.164 121.533 120.200 0.282 0.000 2.268 406 E HA -0.048 4.303 4.350 0.001 0.000 0.195 406 E C 2.237 178.865 176.600 0.046 0.000 0.995 406 E CA 1.249 57.712 56.400 0.104 0.000 0.836 406 E CB -0.203 29.459 29.700 -0.064 0.000 0.763 406 E HN 0.691 nan 8.360 nan 0.000 0.491 407 A N 0.853 123.688 122.820 0.026 0.000 1.826 407 A HA -0.217 4.104 4.320 0.001 0.000 0.214 407 A C 2.041 179.551 177.584 -0.124 0.000 1.212 407 A CA 1.324 53.336 52.037 -0.043 0.000 0.605 407 A CB -0.457 18.514 19.000 -0.048 0.000 0.861 407 A HN 0.110 nan 8.150 nan 0.000 0.447 408 Q N -1.572 118.088 119.800 -0.232 0.000 2.123 408 Q HA 0.076 4.416 4.340 0.001 0.000 0.199 408 Q C -0.567 174.959 176.000 -0.790 0.000 0.966 408 Q CA 0.842 56.250 55.803 -0.659 0.000 0.845 408 Q CB 0.025 28.118 28.738 -1.075 0.000 0.907 408 Q HN 0.638 nan 8.270 nan 0.000 0.439 409 F N -0.097 119.922 119.950 0.115 0.000 2.443 409 F HA 0.320 4.847 4.527 0.001 0.000 0.369 409 F C -2.040 173.907 175.800 0.245 0.000 1.090 409 F CA -2.193 55.889 58.000 0.136 0.000 1.129 409 F CB 1.716 40.774 39.000 0.097 0.000 1.367 409 F HN -0.056 nan 8.300 nan 0.000 0.465 410 P HA 0.032 nan 4.420 nan 0.000 0.234 410 P C 0.429 177.852 177.300 0.205 0.000 1.175 410 P CA 0.742 63.960 63.100 0.196 0.000 0.801 410 P CB 0.499 32.241 31.700 0.069 0.000 0.891 411 D N -0.197 120.323 120.400 0.200 0.000 2.340 411 D HA 0.164 4.804 4.640 0.001 0.000 0.217 411 D C 0.635 177.028 176.300 0.156 0.000 1.081 411 D CA -0.032 54.059 54.000 0.152 0.000 0.842 411 D CB 0.148 41.013 40.800 0.108 0.000 0.934 411 D HN 0.063 nan 8.370 nan 0.000 0.511 412 A N 1.800 124.752 122.820 0.220 0.000 2.565 412 A HA 0.174 4.494 4.320 0.001 0.000 0.237 412 A C 0.504 178.167 177.584 0.133 0.000 1.053 412 A CA 0.426 52.540 52.037 0.129 0.000 0.755 412 A CB 0.120 19.173 19.000 0.088 0.000 0.980 412 A HN 0.305 nan 8.150 nan 0.000 0.506 413 Q N 0.634 120.449 119.800 0.026 0.000 2.472 413 Q HA 0.673 5.013 4.340 0.001 0.000 0.281 413 Q C -1.998 173.928 176.000 -0.124 0.000 0.997 413 Q CA -0.868 54.932 55.803 -0.005 0.000 0.828 413 Q CB 1.740 30.474 28.738 -0.006 0.000 1.443 413 Q HN 0.902 nan 8.270 nan 0.000 0.390 414 V N 1.667 121.460 119.914 -0.202 0.000 2.628 414 V HA 0.734 4.855 4.120 0.001 0.000 0.306 414 V C -1.163 174.609 176.094 -0.538 0.000 1.045 414 V CA -0.533 61.486 62.300 -0.468 0.000 0.905 414 V CB 2.061 33.412 31.823 -0.787 0.000 0.997 414 V HN 0.701 nan 8.190 nan 0.000 0.436 415 V N 3.995 123.582 119.914 -0.545 0.000 2.327 415 V HA 0.483 4.603 4.120 0.001 0.000 0.272 415 V C -0.719 175.208 176.094 -0.279 0.000 1.019 415 V CA -0.863 61.239 62.300 -0.331 0.000 0.814 415 V CB 0.264 31.979 31.823 -0.179 0.000 1.040 415 V HN 0.866 nan 8.190 nan 0.000 0.440 416 W N 2.896 124.141 121.300 -0.091 0.000 2.313 416 W HA 0.732 5.392 4.660 0.000 0.000 0.328 416 W C 0.799 177.267 176.519 -0.084 0.000 1.197 416 W CA 0.284 57.554 57.345 -0.126 0.000 1.235 416 W CB 1.474 30.803 29.460 -0.218 0.000 1.158 416 W HN 0.811 nan 8.180 nan 0.000 0.578 417 S N 0.410 116.238 115.700 0.215 0.000 2.656 417 S HA 0.232 4.703 4.470 0.001 0.000 0.265 417 S C -0.295 174.402 174.600 0.161 0.000 1.110 417 S CA -0.592 57.692 58.200 0.141 0.000 0.821 417 S CB 0.865 64.120 63.200 0.091 0.000 1.099 417 S HN 0.789 nan 8.310 nan 0.000 0.471 418 N N 0.212 119.002 118.700 0.150 0.000 2.741 418 N HA -0.133 4.607 4.740 0.001 0.000 0.250 418 N C -0.214 175.428 175.510 0.219 0.000 1.115 418 N CA 0.902 54.056 53.050 0.173 0.000 0.724 418 N CB -1.562 37.025 38.487 0.166 0.000 1.090 418 N HN 0.765 nan 8.380 nan 0.000 0.558 419 I N 0.601 121.303 120.570 0.220 0.000 2.906 419 I HA -0.150 4.020 4.170 0.001 0.000 0.301 419 I C 0.955 177.292 176.117 0.368 0.000 1.221 419 I CA 1.300 62.736 61.300 0.227 0.000 1.435 419 I CB -0.249 37.830 38.000 0.131 0.000 1.345 419 I HN 0.174 nan 8.210 nan 0.000 0.558 420 R N 5.790 126.501 120.500 0.352 0.000 2.535 420 R HA 0.497 4.837 4.340 0.001 0.000 0.274 420 R C -1.661 174.910 176.300 0.451 0.000 1.090 420 R CA -0.743 55.607 56.100 0.417 0.000 0.930 420 R CB 2.646 33.093 30.300 0.244 0.000 1.223 420 R HN 0.485 nan 8.270 nan 0.000 0.441 421 F N 1.556 121.738 119.950 0.387 0.000 2.607 421 F HA 0.681 5.209 4.527 0.001 0.000 0.322 421 F C -0.628 175.384 175.800 0.354 0.000 1.176 421 F CA -0.046 58.157 58.000 0.339 0.000 0.977 421 F CB 1.984 41.202 39.000 0.363 0.000 1.242 421 F HN 0.635 nan 8.300 nan 0.000 0.465 422 G N 4.358 113.064 108.800 -0.157 0.000 2.650 422 G HA2 0.513 4.473 3.960 0.001 0.000 0.310 422 G HA3 0.513 4.473 3.960 0.001 0.000 0.310 422 G C -3.333 171.455 174.900 -0.186 0.000 1.270 422 G CA -1.335 43.722 45.100 -0.072 0.000 0.810 422 G HN 0.335 nan 8.290 nan 0.000 0.493 423 P HA 0.157 nan 4.420 nan 0.000 0.270 423 P C 0.438 177.705 177.300 -0.057 0.000 1.221 423 P CA -0.238 62.833 63.100 -0.047 0.000 0.788 423 P CB 0.390 32.087 31.700 -0.004 0.000 0.904 424 I N 0.752 121.301 120.570 -0.034 0.000 2.826 424 I HA -0.059 4.112 4.170 0.001 0.000 0.295 424 I C 1.539 177.662 176.117 0.011 0.000 1.213 424 I CA 1.120 62.411 61.300 -0.014 0.000 1.436 424 I CB -1.494 36.510 38.000 0.007 0.000 1.348 424 I HN 0.723 nan 8.210 nan 0.000 0.570 425 G N 4.984 113.809 108.800 0.042 0.000 2.371 425 G HA2 -0.246 3.714 3.960 0.001 0.000 0.299 425 G HA3 -0.246 3.714 3.960 0.001 0.000 0.299 425 G C 0.640 175.565 174.900 0.042 0.000 1.014 425 G CA 0.616 45.758 45.100 0.071 0.000 1.097 425 G HN 0.932 nan 8.290 nan 0.000 0.512 426 S N -2.443 113.275 115.700 0.030 0.000 2.628 426 S HA 0.155 4.626 4.470 0.001 0.000 0.246 426 S C 1.912 176.499 174.600 -0.022 0.000 1.062 426 S CA 1.247 59.449 58.200 0.003 0.000 1.028 426 S CB 0.369 63.567 63.200 -0.003 0.000 0.985 426 S HN 1.312 nan 8.310 nan 0.000 0.551 427 T N -1.117 113.433 114.554 -0.006 0.000 3.044 427 T HA 0.359 4.709 4.350 0.001 0.000 0.255 427 T C -0.067 174.382 174.700 -0.419 0.000 1.073 427 T CA 0.197 62.220 62.100 -0.128 0.000 1.125 427 T CB -0.297 68.578 68.868 0.012 0.000 0.908 427 T HN 0.427 nan 8.240 nan 0.000 0.480 428 Y N -0.157 120.205 120.300 0.104 0.000 2.552 428 Y HA 0.463 5.013 4.550 0.001 0.000 0.337 428 Y C -1.081 174.898 175.900 0.133 0.000 1.094 428 Y CA -1.481 56.715 58.100 0.159 0.000 1.028 428 Y CB 1.754 40.388 38.460 0.291 0.000 1.321 428 Y HN -0.060 nan 8.280 nan 0.000 0.456 429 D N 3.478 123.963 120.400 0.143 0.000 2.524 429 D HA 0.403 5.044 4.640 0.001 0.000 0.222 429 D C -1.134 174.967 176.300 -0.332 0.000 1.142 429 D CA 0.653 54.605 54.000 -0.079 0.000 0.973 429 D CB -0.146 40.554 40.800 -0.165 0.000 1.025 429 D HN 0.393 nan 8.370 nan 0.000 0.519 430 F N 0.000 119.965 119.950 0.025 0.000 2.286 430 F HA 0.000 4.527 4.527 0.001 0.000 0.279 430 F CA 0.000 57.913 58.000 -0.144 0.000 1.383 430 F CB 0.000 38.855 39.000 -0.243 0.000 1.145 430 F HN 0.000 nan 8.300 nan 0.000 0.574