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 2ej2_1_B DATA FIRST_RESID 2 DATA SEQUENCE QIKAGLIWMN GAFVPQEEAK TSVLSHALHY GTSVFEGIRA YETAKGPAIF DATA SEQUENCE RLKEHVKRFY NSAKVLRMEI PFAPEELEEA IKEVVRRNGY RSCYIRPLAW DATA SEQUENCE MGAKALGVNP LPNNPAEVMV AAWEWGAYLG EEAVRKGARL ITSSWARFPA DATA SEQUENCE NVMPGKAKVG GNYVNSALAK MEAVAAGADE ALLLDEEGYV AEGSGENLFF DATA SEQUENCE VRDGVIYALE HSVNLEGITR DSVIRIAKDL GYEVQVVRAT RDQLYMADEV DATA SEQUENCE FMTGTAAEVT PVSMIDWRPI GKGTAGPVAL RLREVYLEAV TGRRPEYEGW DATA SEQUENCE LTYVN 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 175.908 176.000 -0.153 0.000 1.003 2 Q CA 0.000 55.733 55.803 -0.117 0.000 1.022 2 Q CB 0.000 28.690 28.738 -0.080 0.000 1.108 3 I N 2.123 122.577 120.570 -0.194 0.000 2.371 3 I HA 0.340 4.510 4.170 0.001 0.000 0.290 3 I C 0.355 176.401 176.117 -0.118 0.000 1.028 3 I CA -0.073 61.065 61.300 -0.269 0.000 1.345 3 I CB 1.159 38.893 38.000 -0.444 0.000 1.407 3 I HN 0.703 nan 8.210 nan 0.000 0.501 4 K N 5.246 125.613 120.400 -0.055 0.000 2.187 4 K HA 0.578 4.898 4.320 0.001 0.000 0.242 4 K C 0.639 177.371 176.600 0.219 0.000 1.179 4 K CA 0.241 56.573 56.287 0.075 0.000 1.097 4 K CB 0.339 32.892 32.500 0.088 0.000 1.634 4 K HN 0.859 nan 8.250 nan 0.000 0.335 5 A N 0.745 123.698 122.820 0.222 0.000 1.943 5 A HA 0.528 4.848 4.320 0.001 0.000 0.213 5 A C 1.805 179.596 177.584 0.345 0.000 1.181 5 A CA 1.578 53.840 52.037 0.374 0.000 0.653 5 A CB -0.500 18.696 19.000 0.326 0.000 0.833 5 A HN 2.010 nan 8.150 nan 0.000 0.451 6 G N -0.705 108.223 108.800 0.213 0.000 2.514 6 G HA2 -0.222 3.738 3.960 0.001 0.000 0.265 6 G HA3 -0.222 3.738 3.960 0.001 0.000 0.265 6 G C -0.052 174.940 174.900 0.153 0.000 1.150 6 G CA -0.080 45.108 45.100 0.146 0.000 0.959 6 G HN 0.744 nan 8.290 nan 0.000 0.556 7 L N 1.055 122.359 121.223 0.135 0.000 2.410 7 L HA 0.509 4.849 4.340 0.001 0.000 0.273 7 L C 0.469 177.571 176.870 0.387 0.000 1.144 7 L CA -0.020 54.950 54.840 0.218 0.000 0.863 7 L CB 0.478 42.613 42.059 0.126 0.000 1.140 7 L HN 0.375 nan 8.230 nan 0.000 0.463 8 I N 2.046 122.835 120.570 0.366 0.000 2.433 8 I HA 0.178 4.348 4.170 0.001 0.000 0.292 8 I C -0.666 175.528 176.117 0.128 0.000 1.001 8 I CA -0.541 60.940 61.300 0.300 0.000 1.119 8 I CB 1.916 40.031 38.000 0.191 0.000 1.289 8 I HN 0.600 nan 8.210 nan 0.000 0.438 9 W N 8.491 129.573 121.300 -0.364 0.000 2.419 9 W HA 0.307 4.968 4.660 0.001 0.000 0.312 9 W C -0.765 175.559 176.519 -0.325 0.000 1.323 9 W CA -0.307 56.543 57.345 -0.825 0.000 1.293 9 W CB 0.582 29.425 29.460 -1.027 0.000 1.324 9 W HN 0.250 nan 8.180 nan 0.000 0.512 10 M N 7.485 126.690 119.600 -0.657 0.000 2.043 10 M HA 0.102 4.582 4.480 0.001 0.000 0.322 10 M C 0.050 175.874 176.300 -0.794 0.000 0.962 10 M CA -0.336 54.680 55.300 -0.473 0.000 0.927 10 M CB 0.919 33.412 32.600 -0.178 0.000 1.466 10 M HN 0.505 nan 8.290 nan 0.000 0.412 11 N N 2.895 121.035 118.700 -0.934 0.000 2.686 11 N HA -0.212 4.529 4.740 0.001 0.000 0.261 11 N C 0.883 175.980 175.510 -0.689 0.000 1.001 11 N CA 1.348 53.993 53.050 -0.675 0.000 0.764 11 N CB -0.685 37.713 38.487 -0.149 0.000 0.898 11 N HN 1.189 nan 8.380 nan 0.000 0.544 12 G N -2.198 105.645 108.800 -1.594 0.000 2.232 12 G HA2 -0.004 3.957 3.960 0.001 0.000 0.226 12 G HA3 -0.004 3.957 3.960 0.001 0.000 0.226 12 G C -0.022 174.628 174.900 -0.417 0.000 0.996 12 G CA 0.374 45.201 45.100 -0.455 0.000 0.626 12 G HN 1.308 nan 8.290 nan 0.000 0.509 13 A N -0.618 121.737 122.820 -0.776 0.000 2.520 13 A HA 0.781 5.101 4.320 0.001 0.000 0.298 13 A C -0.713 176.649 177.584 -0.370 0.000 1.051 13 A CA -0.684 51.158 52.037 -0.326 0.000 0.690 13 A CB 0.937 19.872 19.000 -0.108 0.000 1.281 13 A HN 0.718 nan 8.150 nan 0.000 0.402 14 F N 1.006 120.947 119.950 -0.015 0.000 2.429 14 F HA 0.475 5.003 4.527 0.001 0.000 0.348 14 F C 0.845 176.652 175.800 0.011 0.000 1.109 14 F CA 0.541 58.568 58.000 0.045 0.000 1.232 14 F CB 1.642 40.709 39.000 0.111 0.000 1.157 14 F HN 0.568 nan 8.300 nan 0.000 0.564 15 V N 0.807 120.837 119.914 0.193 0.000 3.114 15 V HA 0.659 4.780 4.120 0.001 0.000 0.308 15 V C -3.002 173.169 176.094 0.128 0.000 1.168 15 V CA -3.073 59.297 62.300 0.117 0.000 1.015 15 V CB 1.899 33.751 31.823 0.049 0.000 1.050 15 V HN 0.405 nan 8.190 nan 0.000 0.433 16 P HA 0.152 nan 4.420 nan 0.000 0.269 16 P C 0.631 177.978 177.300 0.079 0.000 1.209 16 P CA 0.204 63.352 63.100 0.080 0.000 0.776 16 P CB 0.554 32.286 31.700 0.054 0.000 0.876 17 Q N 2.005 121.855 119.800 0.083 0.000 2.096 17 Q HA -0.285 4.056 4.340 0.001 0.000 0.208 17 Q C 1.415 177.443 176.000 0.046 0.000 0.993 17 Q CA 1.683 57.531 55.803 0.075 0.000 0.862 17 Q CB -0.147 28.636 28.738 0.074 0.000 0.915 17 Q HN 0.415 nan 8.270 nan 0.000 0.416 18 E N 0.197 120.418 120.200 0.035 0.000 2.219 18 E HA -0.213 4.138 4.350 0.001 0.000 0.198 18 E C 1.392 178.005 176.600 0.021 0.000 0.998 18 E CA 1.297 57.709 56.400 0.021 0.000 0.818 18 E CB 0.000 29.711 29.700 0.018 0.000 0.741 18 E HN 0.595 nan 8.360 nan 0.000 0.477 19 E N -0.079 120.140 120.200 0.031 0.000 2.452 19 E HA 0.147 4.497 4.350 0.001 0.000 0.197 19 E C 0.455 177.076 176.600 0.034 0.000 1.022 19 E CA -0.022 56.396 56.400 0.030 0.000 0.890 19 E CB 0.506 30.224 29.700 0.031 0.000 0.918 19 E HN 0.023 nan 8.360 nan 0.000 0.496 20 A N 2.423 125.266 122.820 0.038 0.000 2.981 20 A HA 0.125 4.446 4.320 0.001 0.000 0.280 20 A C -0.156 177.442 177.584 0.024 0.000 1.743 20 A CA 0.226 52.289 52.037 0.043 0.000 1.430 20 A CB -0.351 18.682 19.000 0.056 0.000 1.085 20 A HN -0.022 nan 8.150 nan 0.000 0.597 21 K N 0.052 120.474 120.400 0.037 0.000 2.444 21 K HA 0.730 5.050 4.320 0.001 0.000 0.252 21 K C -0.672 175.973 176.600 0.074 0.000 0.993 21 K CA -0.655 55.645 56.287 0.021 0.000 0.847 21 K CB 2.321 34.830 32.500 0.014 0.000 1.340 21 K HN 0.369 nan 8.250 nan 0.000 0.446 22 T N -0.622 113.968 114.554 0.061 0.000 2.896 22 T HA 0.241 4.591 4.350 0.001 0.000 0.297 22 T C -0.886 173.879 174.700 0.108 0.000 1.108 22 T CA -0.490 61.705 62.100 0.158 0.000 1.004 22 T CB 1.638 70.680 68.868 0.289 0.000 1.159 22 T HN 0.519 nan 8.240 nan 0.000 0.499 23 S N 0.986 116.770 115.700 0.140 0.000 2.560 23 S HA 0.073 4.544 4.470 0.001 0.000 0.284 23 S C 1.686 176.347 174.600 0.102 0.000 1.327 23 S CA 0.026 58.288 58.200 0.103 0.000 1.055 23 S CB 0.271 63.533 63.200 0.104 0.000 0.868 23 S HN 0.888 nan 8.310 nan 0.000 0.506 24 V N 4.272 124.232 119.914 0.077 0.000 3.444 24 V HA 0.163 4.283 4.120 0.001 0.000 0.271 24 V C 1.141 177.357 176.094 0.204 0.000 1.188 24 V CA 1.100 63.451 62.300 0.084 0.000 1.168 24 V CB -0.958 30.889 31.823 0.039 0.000 0.810 24 V HN 0.797 nan 8.190 nan 0.000 0.500 25 L N 0.383 121.700 121.223 0.157 0.000 2.700 25 L HA 0.311 4.651 4.340 0.001 0.000 0.234 25 L C 0.966 177.859 176.870 0.038 0.000 1.156 25 L CA -0.118 54.775 54.840 0.088 0.000 0.946 25 L CB 0.040 42.112 42.059 0.022 0.000 1.216 25 L HN 0.208 nan 8.230 nan 0.000 0.493 26 S N -0.411 115.388 115.700 0.166 0.000 2.537 26 S HA -0.036 4.434 4.470 0.001 0.000 0.286 26 S C 1.302 176.039 174.600 0.228 0.000 1.299 26 S CA -0.237 58.105 58.200 0.237 0.000 1.067 26 S CB 0.518 63.932 63.200 0.356 0.000 0.864 26 S HN 0.297 nan 8.310 nan 0.000 0.494 27 H N 3.408 122.553 119.070 0.125 0.000 2.321 27 H HA -0.225 4.331 4.556 0.001 0.000 0.295 27 H C 2.155 177.594 175.328 0.185 0.000 1.102 27 H CA 2.123 58.251 56.048 0.133 0.000 1.266 27 H CB -0.252 29.627 29.762 0.195 0.000 1.363 27 H HN 0.753 nan 8.280 nan 0.000 0.492 28 A N 0.656 123.718 122.820 0.403 0.000 2.024 28 A HA -0.137 4.183 4.320 0.001 0.000 0.220 28 A C 2.480 180.158 177.584 0.157 0.000 1.164 28 A CA 1.269 53.497 52.037 0.318 0.000 0.643 28 A CB -0.638 18.597 19.000 0.392 0.000 0.806 28 A HN 0.394 nan 8.150 nan 0.000 0.451 29 L N -1.222 120.078 121.223 0.128 0.000 2.313 29 L HA -0.035 4.306 4.340 0.001 0.000 0.214 29 L C 2.045 178.829 176.870 -0.143 0.000 1.119 29 L CA 1.624 56.464 54.840 -0.001 0.000 0.809 29 L CB -0.444 41.619 42.059 0.007 0.000 0.933 29 L HN 0.552 nan 8.230 nan 0.000 0.449 30 H N -3.014 115.865 119.070 -0.318 0.000 2.557 30 H HA 0.118 4.674 4.556 0.001 0.000 0.281 30 H C 0.536 175.520 175.328 -0.573 0.000 0.990 30 H CA 0.937 56.631 56.048 -0.590 0.000 1.278 30 H CB 0.446 29.551 29.762 -1.094 0.000 1.451 30 H HN 0.356 nan 8.280 nan 0.000 0.516 31 Y N -0.363 119.955 120.300 0.030 0.000 2.641 31 Y HA 0.287 4.838 4.550 0.001 0.000 0.248 31 Y C 1.474 177.418 175.900 0.073 0.000 1.170 31 Y CA -0.028 58.071 58.100 -0.002 0.000 1.201 31 Y CB 1.298 39.672 38.460 -0.145 0.000 1.232 31 Y HN 0.199 nan 8.280 nan 0.000 0.537 32 G N 1.428 110.345 108.800 0.195 0.000 2.187 32 G HA2 -0.363 3.597 3.960 0.001 0.000 0.261 32 G HA3 -0.363 3.597 3.960 0.001 0.000 0.261 32 G C 0.441 175.478 174.900 0.229 0.000 1.000 32 G CA 0.858 46.071 45.100 0.190 0.000 0.718 32 G HN 0.424 nan 8.290 nan 0.000 0.519 33 T N -0.678 114.054 114.554 0.296 0.000 4.309 33 T HA 0.576 4.926 4.350 0.001 0.000 0.242 33 T C 0.540 175.399 174.700 0.266 0.000 1.142 33 T CA 0.485 62.761 62.100 0.293 0.000 1.042 33 T CB 0.198 69.324 68.868 0.430 0.000 1.366 33 T HN 1.465 nan 8.240 nan 0.000 0.942 34 S N 0.324 116.171 115.700 0.246 0.000 2.661 34 S HA 0.858 5.329 4.470 0.001 0.000 0.285 34 S C -0.548 174.185 174.600 0.222 0.000 1.138 34 S CA -0.668 57.695 58.200 0.273 0.000 0.855 34 S CB 1.899 65.303 63.200 0.341 0.000 1.136 34 S HN 1.031 nan 8.310 nan 0.000 0.484 35 V N -0.753 119.280 119.914 0.197 0.000 3.007 35 V HA 1.009 5.130 4.120 0.001 0.000 0.311 35 V C -0.955 175.331 176.094 0.320 0.000 1.120 35 V CA -1.063 61.293 62.300 0.093 0.000 0.980 35 V CB 0.878 32.587 31.823 -0.190 0.000 1.033 35 V HN 1.469 nan 8.190 nan 0.000 0.429 36 F N -0.196 119.893 119.950 0.232 0.000 2.745 36 F HA 0.975 5.502 4.527 0.001 0.000 0.316 36 F C -0.907 175.093 175.800 0.332 0.000 1.155 36 F CA -0.710 57.511 58.000 0.369 0.000 0.937 36 F CB 1.546 40.658 39.000 0.187 0.000 1.361 36 F HN 0.591 nan 8.300 nan 0.000 0.472 37 E N -0.140 120.328 120.200 0.447 0.000 2.410 37 E HA 0.657 5.007 4.350 0.001 0.000 0.269 37 E C -1.263 175.434 176.600 0.162 0.000 0.937 37 E CA -1.012 55.511 56.400 0.206 0.000 0.793 37 E CB 2.121 31.855 29.700 0.056 0.000 1.314 37 E HN 1.038 nan 8.360 nan 0.000 0.447 38 G N 1.158 109.948 108.800 -0.017 0.000 2.730 38 G HA2 0.645 4.605 3.960 0.001 0.000 0.291 38 G HA3 0.645 4.605 3.960 0.001 0.000 0.291 38 G C -0.755 173.744 174.900 -0.669 0.000 1.456 38 G CA -0.327 44.600 45.100 -0.287 0.000 0.996 38 G HN 0.247 nan 8.290 nan 0.000 0.528 39 I N 1.842 121.841 120.570 -0.953 0.000 2.647 39 I HA 0.568 4.738 4.170 0.001 0.000 0.295 39 I C -0.494 175.190 176.117 -0.721 0.000 1.078 39 I CA -1.165 59.617 61.300 -0.864 0.000 1.048 39 I CB 2.571 40.153 38.000 -0.696 0.000 1.239 39 I HN 0.133 nan 8.210 nan 0.000 0.421 40 R N 3.187 123.418 120.500 -0.449 0.000 2.664 40 R HA 0.848 5.189 4.340 0.001 0.000 0.286 40 R C -0.952 175.193 176.300 -0.258 0.000 0.967 40 R CA -0.939 54.907 56.100 -0.425 0.000 0.933 40 R CB 2.127 32.185 30.300 -0.405 0.000 1.146 40 R HN 0.782 nan 8.270 nan 0.000 0.468 41 A N 2.768 125.381 122.820 -0.344 0.000 2.343 41 A HA 0.707 5.027 4.320 0.001 0.000 0.316 41 A C -1.518 175.917 177.584 -0.248 0.000 1.104 41 A CA -0.512 51.429 52.037 -0.160 0.000 0.768 41 A CB 0.899 19.825 19.000 -0.123 0.000 1.213 41 A HN 0.599 nan 8.150 nan 0.000 0.456 42 Y N 0.061 120.322 120.300 -0.064 0.000 2.562 42 Y HA 0.561 5.112 4.550 0.001 0.000 0.343 42 Y C 0.398 176.302 175.900 0.007 0.000 1.025 42 Y CA -0.699 57.378 58.100 -0.038 0.000 1.082 42 Y CB 1.612 40.027 38.460 -0.075 0.000 1.264 42 Y HN 0.792 nan 8.280 nan 0.000 0.478 43 E N 1.084 121.404 120.200 0.200 0.000 2.331 43 E HA 0.450 4.801 4.350 0.001 0.000 0.272 43 E C -0.561 176.131 176.600 0.154 0.000 1.036 43 E CA -0.157 56.333 56.400 0.151 0.000 0.864 43 E CB 0.759 30.533 29.700 0.124 0.000 1.035 43 E HN 0.666 nan 8.360 nan 0.000 0.408 44 T N 0.184 114.833 114.554 0.158 0.000 2.838 44 T HA 0.641 4.991 4.350 0.001 0.000 0.292 44 T C 0.737 175.517 174.700 0.133 0.000 1.113 44 T CA -0.332 61.866 62.100 0.164 0.000 1.008 44 T CB 1.082 70.113 68.868 0.272 0.000 1.259 44 T HN 0.341 nan 8.240 nan 0.000 0.520 45 A N 0.073 122.956 122.820 0.105 0.000 2.172 45 A HA 0.119 4.440 4.320 0.001 0.000 0.216 45 A C 1.564 179.170 177.584 0.038 0.000 1.154 45 A CA 0.897 52.969 52.037 0.059 0.000 0.701 45 A CB -0.673 18.348 19.000 0.036 0.000 0.789 45 A HN 0.767 nan 8.150 nan 0.000 0.465 46 K N -0.517 119.918 120.400 0.058 0.000 2.593 46 K HA 0.416 4.737 4.320 0.001 0.000 0.208 46 K C 0.514 177.170 176.600 0.093 0.000 1.051 46 K CA 0.289 56.560 56.287 -0.027 0.000 1.111 46 K CB 0.290 32.593 32.500 -0.328 0.000 0.849 46 K HN 0.564 nan 8.250 nan 0.000 0.479 47 G N 2.003 110.883 108.800 0.134 0.000 2.728 47 G HA2 -0.184 3.776 3.960 0.001 0.000 0.294 47 G HA3 -0.184 3.776 3.960 0.001 0.000 0.294 47 G C -2.924 172.099 174.900 0.205 0.000 1.342 47 G CA -1.334 43.854 45.100 0.148 0.000 0.866 47 G HN -0.064 nan 8.290 nan 0.000 0.534 48 P HA 0.429 nan 4.420 nan 0.000 0.265 48 P C -0.138 177.225 177.300 0.106 0.000 1.193 48 P CA 1.147 64.320 63.100 0.123 0.000 0.765 48 P CB 0.954 32.709 31.700 0.092 0.000 0.823 49 A N 4.243 127.085 122.820 0.037 0.000 2.359 49 A HA 0.574 4.894 4.320 0.001 0.000 0.303 49 A C -0.459 177.105 177.584 -0.033 0.000 1.066 49 A CA -0.728 51.230 52.037 -0.133 0.000 0.730 49 A CB 0.546 19.336 19.000 -0.350 0.000 1.211 49 A HN 0.434 nan 8.150 nan 0.000 0.439 50 I N 2.184 122.717 120.570 -0.061 0.000 2.395 50 I HA 0.196 4.367 4.170 0.001 0.000 0.289 50 I C -0.436 175.704 176.117 0.038 0.000 1.023 50 I CA -0.233 61.054 61.300 -0.022 0.000 1.350 50 I CB 0.904 38.861 38.000 -0.071 0.000 1.409 50 I HN 0.673 nan 8.210 nan 0.000 0.507 51 F N 6.497 126.413 119.950 -0.057 0.000 2.424 51 F HA 0.329 4.857 4.527 0.001 0.000 0.356 51 F C 0.899 176.695 175.800 -0.006 0.000 1.110 51 F CA -0.671 57.307 58.000 -0.037 0.000 1.161 51 F CB 0.055 39.042 39.000 -0.021 0.000 1.115 51 F HN 0.430 nan 8.300 nan 0.000 0.507 52 R N 4.877 124.985 120.500 -0.652 0.000 3.158 52 R HA -0.253 4.087 4.340 0.001 0.000 0.244 52 R C 0.955 177.188 176.300 -0.111 0.000 0.900 52 R CA 0.559 56.364 56.100 -0.492 0.000 0.618 52 R CB -1.698 28.095 30.300 -0.845 0.000 1.061 52 R HN 0.758 nan 8.270 nan 0.000 0.471 53 L N 1.111 122.289 121.223 -0.076 0.000 1.994 53 L HA -0.176 4.164 4.340 0.001 0.000 0.208 53 L C 1.953 178.817 176.870 -0.009 0.000 1.071 53 L CA 1.863 56.685 54.840 -0.031 0.000 0.745 53 L CB -0.187 41.835 42.059 -0.063 0.000 0.892 53 L HN 0.264 nan 8.230 nan 0.000 0.431 54 K N -0.738 119.642 120.400 -0.033 0.000 2.147 54 K HA -0.214 4.107 4.320 0.001 0.000 0.205 54 K C 2.071 178.657 176.600 -0.023 0.000 1.049 54 K CA 1.382 57.655 56.287 -0.023 0.000 0.936 54 K CB -0.104 32.381 32.500 -0.025 0.000 0.722 54 K HN 0.312 nan 8.250 nan 0.000 0.446 55 E N 0.468 120.627 120.200 -0.068 0.000 2.072 55 E HA -0.164 4.186 4.350 0.001 0.000 0.191 55 E C 1.802 178.332 176.600 -0.117 0.000 0.985 55 E CA 1.392 57.721 56.400 -0.119 0.000 0.801 55 E CB 0.005 29.570 29.700 -0.225 0.000 0.750 55 E HN 0.325 nan 8.360 nan 0.000 0.452 56 H N -0.772 118.262 119.070 -0.061 0.000 2.389 56 H HA -0.038 4.518 4.556 0.001 0.000 0.299 56 H C 2.108 177.456 175.328 0.033 0.000 1.081 56 H CA 1.560 57.588 56.048 -0.033 0.000 1.345 56 H CB -0.001 29.710 29.762 -0.086 0.000 1.393 56 H HN 0.104 nan 8.280 nan 0.000 0.520 57 V N 1.275 121.278 119.914 0.148 0.000 2.427 57 V HA -0.210 3.910 4.120 0.001 0.000 0.248 57 V C 2.599 178.890 176.094 0.329 0.000 1.051 57 V CA 1.710 64.136 62.300 0.210 0.000 1.048 57 V CB -0.376 31.520 31.823 0.122 0.000 0.666 57 V HN 0.335 nan 8.190 nan 0.000 0.456 58 K N 0.512 121.009 120.400 0.162 0.000 2.057 58 K HA -0.243 4.077 4.320 0.001 0.000 0.207 58 K C 2.364 179.064 176.600 0.166 0.000 1.049 58 K CA 1.868 58.232 56.287 0.129 0.000 0.931 58 K CB -0.181 32.339 32.500 0.032 0.000 0.714 58 K HN 0.310 nan 8.250 nan 0.000 0.440 59 R N -0.480 120.094 120.500 0.124 0.000 2.092 59 R HA -0.134 4.206 4.340 0.001 0.000 0.231 59 R C 2.184 178.578 176.300 0.156 0.000 1.119 59 R CA 1.281 57.437 56.100 0.093 0.000 0.970 59 R CB -0.342 29.978 30.300 0.034 0.000 0.864 59 R HN 0.239 nan 8.270 nan 0.000 0.440 60 F N 0.248 120.236 119.950 0.064 0.000 2.069 60 F HA -0.241 4.286 4.527 0.001 0.000 0.298 60 F C 1.432 177.214 175.800 -0.031 0.000 1.113 60 F CA 1.658 59.663 58.000 0.009 0.000 1.214 60 F CB -0.524 38.485 39.000 0.015 0.000 0.978 60 F HN 0.014 nan 8.300 nan 0.000 0.474 61 Y N 0.229 120.584 120.300 0.092 0.000 2.293 61 Y HA -0.146 4.404 4.550 0.001 0.000 0.291 61 Y C 2.319 178.185 175.900 -0.056 0.000 1.137 61 Y CA 1.808 59.898 58.100 -0.017 0.000 1.202 61 Y CB -1.092 37.403 38.460 0.059 0.000 0.990 61 Y HN 0.185 nan 8.280 nan 0.000 0.537 62 N N -0.909 117.855 118.700 0.107 0.000 2.188 62 N HA -0.153 4.588 4.740 0.001 0.000 0.184 62 N C 1.859 177.350 175.510 -0.032 0.000 1.018 62 N CA 1.110 54.180 53.050 0.033 0.000 0.858 62 N CB -0.105 38.398 38.487 0.025 0.000 0.989 62 N HN 0.133 nan 8.380 nan 0.000 0.426 63 S N 0.624 116.281 115.700 -0.071 0.000 2.382 63 S HA -0.096 4.374 4.470 0.001 0.000 0.228 63 S C 2.113 176.628 174.600 -0.141 0.000 1.027 63 S CA 1.013 59.146 58.200 -0.110 0.000 0.991 63 S CB -0.233 62.883 63.200 -0.141 0.000 0.823 63 S HN 0.447 nan 8.310 nan 0.000 0.469 64 A N 1.821 124.512 122.820 -0.214 0.000 1.902 64 A HA -0.121 4.200 4.320 0.001 0.000 0.217 64 A C 2.044 179.564 177.584 -0.106 0.000 1.181 64 A CA 1.381 53.295 52.037 -0.206 0.000 0.623 64 A CB -0.438 18.379 19.000 -0.305 0.000 0.818 64 A HN 0.395 nan 8.150 nan 0.000 0.443 65 K N -0.383 119.977 120.400 -0.066 0.000 2.063 65 K HA -0.124 4.196 4.320 0.001 0.000 0.208 65 K C 1.874 178.449 176.600 -0.041 0.000 1.048 65 K CA 1.541 57.807 56.287 -0.034 0.000 0.928 65 K CB -0.422 32.071 32.500 -0.010 0.000 0.713 65 K HN 0.349 nan 8.250 nan 0.000 0.442 66 V N 1.634 121.518 119.914 -0.050 0.000 2.392 66 V HA -0.221 3.900 4.120 0.001 0.000 0.249 66 V C 2.009 178.076 176.094 -0.046 0.000 1.059 66 V CA 1.548 63.819 62.300 -0.048 0.000 1.051 66 V CB -0.335 31.454 31.823 -0.057 0.000 0.658 66 V HN 0.312 nan 8.190 nan 0.000 0.455 67 L N -0.802 120.390 121.223 -0.051 0.000 2.591 67 L HA 0.211 4.552 4.340 0.001 0.000 0.228 67 L C 1.087 177.930 176.870 -0.045 0.000 1.133 67 L CA 0.145 54.961 54.840 -0.041 0.000 0.880 67 L CB -0.218 41.822 42.059 -0.033 0.000 1.033 67 L HN 0.326 nan 8.230 nan 0.000 0.450 68 R N 0.020 120.493 120.500 -0.047 0.000 3.651 68 R HA -0.187 4.153 4.340 0.001 0.000 0.292 68 R C 0.251 176.518 176.300 -0.055 0.000 1.161 68 R CA 0.545 56.619 56.100 -0.044 0.000 0.787 68 R CB -1.724 28.552 30.300 -0.040 0.000 1.249 68 R HN 0.364 nan 8.270 nan 0.000 0.476 69 M N 1.369 120.930 119.600 -0.066 0.000 2.188 69 M HA 0.159 4.640 4.480 0.001 0.000 0.357 69 M C -0.136 176.117 176.300 -0.077 0.000 1.204 69 M CA -0.008 55.243 55.300 -0.081 0.000 1.095 69 M CB 0.914 33.454 32.600 -0.099 0.000 1.604 69 M HN -0.077 nan 8.290 nan 0.000 0.464 70 E N 6.198 126.357 120.200 -0.068 0.000 2.146 70 E HA 0.365 4.715 4.350 0.001 0.000 0.282 70 E C -0.912 175.663 176.600 -0.042 0.000 0.989 70 E CA -0.236 56.138 56.400 -0.043 0.000 0.799 70 E CB 1.396 31.072 29.700 -0.040 0.000 1.088 70 E HN 0.726 nan 8.360 nan 0.000 0.397 71 I N 5.513 126.080 120.570 -0.005 0.000 2.306 71 I HA 0.129 4.299 4.170 0.001 0.000 0.288 71 I C -1.492 174.709 176.117 0.141 0.000 1.036 71 I CA -1.781 59.552 61.300 0.055 0.000 1.221 71 I CB 1.163 39.115 38.000 -0.081 0.000 1.385 71 I HN 0.120 nan 8.210 nan 0.000 0.472 72 P HA 0.100 nan 4.420 nan 0.000 0.269 72 P C -0.791 176.198 177.300 -0.518 0.000 1.601 72 P CA 0.459 63.420 63.100 -0.232 0.000 0.831 72 P CB -0.498 30.979 31.700 -0.372 0.000 1.688 73 F N -0.218 119.845 119.950 0.188 0.000 2.608 73 F HA 0.525 5.053 4.527 0.001 0.000 0.309 73 F C 0.237 176.193 175.800 0.260 0.000 1.103 73 F CA -1.330 56.806 58.000 0.226 0.000 0.954 73 F CB 1.260 40.436 39.000 0.295 0.000 1.267 73 F HN -0.156 nan 8.300 nan 0.000 0.444 74 A N 3.039 126.056 122.820 0.328 0.000 2.407 74 A HA 0.471 4.791 4.320 0.001 0.000 0.248 74 A C -1.908 175.757 177.584 0.136 0.000 1.082 74 A CA -1.169 50.964 52.037 0.161 0.000 0.785 74 A CB 0.154 19.205 19.000 0.085 0.000 1.020 74 A HN 0.616 nan 8.150 nan 0.000 0.489 75 P HA -0.119 nan 4.420 nan 0.000 0.217 75 P C 1.728 179.008 177.300 -0.033 0.000 1.148 75 P CA 2.209 65.206 63.100 -0.172 0.000 0.828 75 P CB 0.165 31.601 31.700 -0.439 0.000 0.783 76 E N 0.552 120.735 120.200 -0.027 0.000 2.110 76 E HA -0.266 4.084 4.350 0.001 0.000 0.193 76 E C 1.830 178.427 176.600 -0.007 0.000 0.988 76 E CA 1.605 57.996 56.400 -0.014 0.000 0.804 76 E CB -1.468 28.232 29.700 -0.000 0.000 0.745 76 E HN 0.474 nan 8.360 nan 0.000 0.458 77 E N -0.091 120.132 120.200 0.039 0.000 2.047 77 E HA -0.079 4.272 4.350 0.001 0.000 0.191 77 E C 2.266 178.757 176.600 -0.181 0.000 0.987 77 E CA 0.903 57.317 56.400 0.024 0.000 0.799 77 E CB -0.077 29.745 29.700 0.203 0.000 0.752 77 E HN 0.302 nan 8.360 nan 0.000 0.449 78 L N 1.371 122.492 121.223 -0.170 0.000 2.046 78 L HA -0.186 4.154 4.340 0.001 0.000 0.208 78 L C 2.167 178.842 176.870 -0.326 0.000 1.077 78 L CA 1.756 56.376 54.840 -0.367 0.000 0.747 78 L CB -0.957 41.033 42.059 -0.114 0.000 0.896 78 L HN 0.211 nan 8.230 nan 0.000 0.432 79 E N -0.485 119.614 120.200 -0.169 0.000 2.110 79 E HA -0.269 4.081 4.350 0.001 0.000 0.193 79 E C 1.992 178.504 176.600 -0.146 0.000 0.988 79 E CA 1.160 57.478 56.400 -0.138 0.000 0.804 79 E CB 0.053 29.707 29.700 -0.076 0.000 0.745 79 E HN 0.328 nan 8.360 nan 0.000 0.458 80 E N 0.985 121.102 120.200 -0.139 0.000 2.106 80 E HA -0.104 4.247 4.350 0.001 0.000 0.192 80 E C 1.817 178.330 176.600 -0.146 0.000 0.984 80 E CA 1.270 57.610 56.400 -0.099 0.000 0.806 80 E CB -0.179 29.493 29.700 -0.047 0.000 0.750 80 E HN 0.219 nan 8.360 nan 0.000 0.458 81 A N 0.434 123.035 122.820 -0.365 0.000 1.969 81 A HA -0.081 4.240 4.320 0.001 0.000 0.218 81 A C 2.306 179.724 177.584 -0.277 0.000 1.169 81 A CA 1.265 52.964 52.037 -0.563 0.000 0.635 81 A CB -0.597 17.371 19.000 -1.720 0.000 0.810 81 A HN 0.351 nan 8.150 nan 0.000 0.445 82 I N -0.647 119.750 120.570 -0.288 0.000 2.315 82 I HA -0.247 3.923 4.170 0.001 0.000 0.248 82 I C 2.391 178.459 176.117 -0.082 0.000 1.117 82 I CA 1.377 62.566 61.300 -0.186 0.000 1.404 82 I CB -0.217 37.650 38.000 -0.222 0.000 1.071 82 I HN 0.306 nan 8.210 nan 0.000 0.419 83 K N 0.782 121.141 120.400 -0.068 0.000 2.031 83 K HA -0.139 4.181 4.320 0.001 0.000 0.205 83 K C 1.946 178.548 176.600 0.004 0.000 1.049 83 K CA 1.258 57.529 56.287 -0.027 0.000 0.939 83 K CB -0.127 32.360 32.500 -0.022 0.000 0.717 83 K HN 0.325 nan 8.250 nan 0.000 0.438 84 E N 0.694 120.916 120.200 0.038 0.000 2.153 84 E HA -0.158 4.192 4.350 0.001 0.000 0.194 84 E C 1.976 178.565 176.600 -0.019 0.000 0.988 84 E CA 0.814 57.231 56.400 0.028 0.000 0.811 84 E CB -0.048 29.755 29.700 0.171 0.000 0.746 84 E HN 0.039 nan 8.360 nan 0.000 0.466 85 V N 0.610 120.653 119.914 0.215 0.000 2.626 85 V HA -0.173 3.947 4.120 0.001 0.000 0.252 85 V C 1.961 178.112 176.094 0.095 0.000 1.067 85 V CA 1.110 63.566 62.300 0.259 0.000 1.081 85 V CB 0.143 32.165 31.823 0.331 0.000 0.686 85 V HN 0.090 nan 8.190 nan 0.000 0.468 86 V N -0.015 119.940 119.914 0.069 0.000 2.346 86 V HA -0.128 3.992 4.120 0.001 0.000 0.244 86 V C 2.526 178.606 176.094 -0.022 0.000 1.037 86 V CA 2.062 64.419 62.300 0.095 0.000 1.029 86 V CB -0.696 31.170 31.823 0.072 0.000 0.663 86 V HN 0.460 nan 8.190 nan 0.000 0.454 87 R N 0.163 120.631 120.500 -0.052 0.000 2.088 87 R HA -0.144 4.196 4.340 0.001 0.000 0.232 87 R C 2.527 178.730 176.300 -0.162 0.000 1.136 87 R CA 1.813 57.862 56.100 -0.085 0.000 0.926 87 R CB -0.474 29.783 30.300 -0.073 0.000 0.837 87 R HN 0.368 nan 8.270 nan 0.000 0.429 88 R N 0.355 120.708 120.500 -0.244 0.000 2.154 88 R HA -0.102 4.238 4.340 0.001 0.000 0.248 88 R C 1.464 177.587 176.300 -0.295 0.000 1.155 88 R CA 1.390 57.302 56.100 -0.314 0.000 0.979 88 R CB -0.214 29.748 30.300 -0.562 0.000 0.869 88 R HN 0.313 nan 8.270 nan 0.000 0.452 89 N N -0.668 117.806 118.700 -0.376 0.000 2.336 89 N HA 0.025 4.765 4.740 0.001 0.000 0.189 89 N C 0.612 175.783 175.510 -0.565 0.000 1.113 89 N CA 0.903 53.609 53.050 -0.573 0.000 0.858 89 N CB 1.204 39.057 38.487 -1.056 0.000 0.970 89 N HN 0.349 nan 8.380 nan 0.000 0.471 90 G N 1.068 109.679 108.800 -0.316 0.000 2.249 90 G HA2 -0.310 3.651 3.960 0.001 0.000 0.273 90 G HA3 -0.310 3.651 3.960 0.001 0.000 0.273 90 G C -0.185 174.693 174.900 -0.037 0.000 1.036 90 G CA 0.086 45.099 45.100 -0.146 0.000 0.824 90 G HN 0.444 nan 8.290 nan 0.000 0.504 91 Y N -1.088 119.219 120.300 0.012 0.000 2.314 91 Y HA 0.457 5.007 4.550 0.001 0.000 0.334 91 Y C 1.873 177.784 175.900 0.018 0.000 1.266 91 Y CA -0.532 57.580 58.100 0.020 0.000 1.391 91 Y CB 0.701 39.168 38.460 0.012 0.000 1.306 91 Y HN 0.087 nan 8.280 nan 0.000 0.558 92 R N 0.085 120.712 120.500 0.211 0.000 2.580 92 R HA 0.098 4.438 4.340 0.001 0.000 0.169 92 R C -0.124 176.216 176.300 0.066 0.000 1.399 92 R CA 0.076 56.248 56.100 0.121 0.000 1.206 92 R CB 0.172 30.538 30.300 0.109 0.000 1.215 92 R HN 0.423 nan 8.270 nan 0.000 0.486 93 S N 1.472 117.198 115.700 0.044 0.000 2.423 93 S HA 0.398 4.868 4.470 0.001 0.000 0.317 93 S C -0.365 174.197 174.600 -0.064 0.000 1.065 93 S CA -0.760 57.418 58.200 -0.037 0.000 1.111 93 S CB -0.037 63.186 63.200 0.039 0.000 0.968 93 S HN 0.434 nan 8.310 nan 0.000 0.474 94 C N 3.632 122.821 119.300 -0.187 0.000 3.236 94 C HA 0.753 5.213 4.460 0.001 0.000 0.312 94 C C -1.227 173.571 174.990 -0.320 0.000 1.374 94 C CA -1.250 57.617 59.018 -0.252 0.000 1.455 94 C CB 0.323 27.788 27.740 -0.459 0.000 1.834 94 C HN 0.812 nan 8.230 nan 0.000 0.460 95 Y N 0.862 120.842 120.300 -0.533 0.000 2.352 95 Y HA 0.809 5.359 4.550 0.001 0.000 0.339 95 Y C -0.498 174.920 175.900 -0.804 0.000 0.992 95 Y CA -1.000 56.708 58.100 -0.653 0.000 1.100 95 Y CB 0.940 39.068 38.460 -0.554 0.000 1.192 95 Y HN 0.728 nan 8.280 nan 0.000 0.458 96 I N 6.595 126.556 120.570 -1.015 0.000 2.378 96 I HA 0.419 4.589 4.170 0.001 0.000 0.291 96 I C -0.701 174.963 176.117 -0.754 0.000 0.992 96 I CA -0.976 59.890 61.300 -0.723 0.000 1.154 96 I CB 1.679 39.390 38.000 -0.483 0.000 1.315 96 I HN 0.452 nan 8.210 nan 0.000 0.448 97 R N 8.194 128.434 120.500 -0.433 0.000 2.396 97 R HA 0.494 4.834 4.340 0.001 0.000 0.292 97 R C -2.872 173.401 176.300 -0.045 0.000 1.240 97 R CA -2.150 53.856 56.100 -0.156 0.000 1.270 97 R CB 0.560 30.925 30.300 0.108 0.000 1.108 97 R HN 0.183 nan 8.270 nan 0.000 0.573 98 P HA 0.238 nan 4.420 nan 0.000 0.278 98 P C -1.364 176.010 177.300 0.124 0.000 1.238 98 P CA -0.526 62.460 63.100 -0.190 0.000 0.794 98 P CB 1.093 32.383 31.700 -0.683 0.000 0.955 99 L N 2.109 123.527 121.223 0.325 0.000 2.455 99 L HA 0.792 5.133 4.340 0.001 0.000 0.264 99 L C -1.603 175.712 176.870 0.741 0.000 0.968 99 L CA -0.638 54.547 54.840 0.574 0.000 0.827 99 L CB 1.865 44.151 42.059 0.378 0.000 1.317 99 L HN 0.427 nan 8.230 nan 0.000 0.407 100 A N 3.982 127.195 122.820 0.656 0.000 2.353 100 A HA 0.811 5.131 4.320 0.001 0.000 0.299 100 A C -1.762 176.071 177.584 0.415 0.000 1.089 100 A CA -0.337 51.946 52.037 0.410 0.000 0.736 100 A CB 0.563 19.591 19.000 0.046 0.000 1.195 100 A HN 0.910 nan 8.150 nan 0.000 0.447 101 W N 2.159 123.522 121.300 0.106 0.000 3.033 101 W HA 0.755 5.415 4.660 0.001 0.000 0.336 101 W C -0.933 175.635 176.519 0.082 0.000 1.173 101 W CA -1.342 56.062 57.345 0.098 0.000 1.185 101 W CB 1.026 30.555 29.460 0.114 0.000 1.425 101 W HN 0.344 nan 8.180 nan 0.000 0.536 102 M N 3.591 123.302 119.600 0.185 0.000 2.188 102 M HA 0.278 4.759 4.480 0.001 0.000 0.354 102 M C 0.681 177.062 176.300 0.135 0.000 1.342 102 M CA -0.097 55.233 55.300 0.051 0.000 1.117 102 M CB 0.084 32.711 32.600 0.046 0.000 1.670 102 M HN 0.875 nan 8.290 nan 0.000 0.466 103 G N 2.150 110.936 108.800 -0.024 0.000 2.489 103 G HA2 0.467 4.428 3.960 0.001 0.000 0.271 103 G HA3 0.467 4.428 3.960 0.001 0.000 0.271 103 G C 0.173 175.151 174.900 0.130 0.000 1.427 103 G CA -0.105 45.030 45.100 0.059 0.000 1.057 103 G HN 0.816 nan 8.290 nan 0.000 0.532 104 A N -1.039 121.843 122.820 0.104 0.000 2.640 104 A HA 0.314 4.634 4.320 0.001 0.000 0.282 104 A C 1.740 179.353 177.584 0.048 0.000 1.357 104 A CA -0.001 52.086 52.037 0.083 0.000 0.946 104 A CB -0.202 18.846 19.000 0.080 0.000 1.065 104 A HN 0.575 nan 8.150 nan 0.000 0.541 105 K N -0.046 120.376 120.400 0.036 0.000 2.097 105 K HA 0.153 4.473 4.320 0.001 0.000 0.205 105 K C 0.713 177.330 176.600 0.029 0.000 1.050 105 K CA 1.239 57.537 56.287 0.018 0.000 0.938 105 K CB -0.031 32.467 32.500 -0.003 0.000 0.718 105 K HN 0.583 nan 8.250 nan 0.000 0.442 106 A N -0.177 122.678 122.820 0.058 0.000 2.601 106 A HA 0.485 4.805 4.320 0.001 0.000 0.291 106 A C -0.944 176.727 177.584 0.145 0.000 1.075 106 A CA -0.698 51.382 52.037 0.072 0.000 0.671 106 A CB 0.871 19.906 19.000 0.059 0.000 1.277 106 A HN 0.091 nan 8.150 nan 0.000 0.417 107 L N 1.462 122.758 121.223 0.122 0.000 3.110 107 L HA 0.334 4.675 4.340 0.001 0.000 0.266 107 L C 1.111 178.127 176.870 0.244 0.000 1.257 107 L CA -0.059 54.886 54.840 0.175 0.000 1.038 107 L CB 0.477 42.514 42.059 -0.035 0.000 1.395 107 L HN 0.898 nan 8.230 nan 0.000 0.566 108 G N -0.536 108.377 108.800 0.187 0.000 2.527 108 G HA2 0.224 4.184 3.960 0.001 0.000 0.248 108 G HA3 0.224 4.184 3.960 0.001 0.000 0.248 108 G C 0.897 175.834 174.900 0.062 0.000 1.231 108 G CA -0.323 44.831 45.100 0.091 0.000 0.838 108 G HN -0.070 nan 8.290 nan 0.000 0.570 109 V N 1.441 121.257 119.914 -0.163 0.000 2.490 109 V HA -0.093 4.027 4.120 0.001 0.000 0.250 109 V C 1.423 177.499 176.094 -0.030 0.000 1.061 109 V CA 1.375 63.433 62.300 -0.403 0.000 1.064 109 V CB -0.575 31.001 31.823 -0.412 0.000 0.670 109 V HN 0.698 nan 8.190 nan 0.000 0.461 110 N N 0.996 119.695 118.700 -0.001 0.000 2.440 110 N HA 0.046 4.787 4.740 0.001 0.000 0.265 110 N C -1.438 174.050 175.510 -0.037 0.000 1.239 110 N CA -1.276 51.768 53.050 -0.010 0.000 0.909 110 N CB 1.426 39.899 38.487 -0.023 0.000 1.066 110 N HN 0.277 nan 8.380 nan 0.000 0.474 111 P HA 0.007 nan 4.420 nan 0.000 0.245 111 P C 1.574 178.731 177.300 -0.239 0.000 1.203 111 P CA 0.328 63.175 63.100 -0.421 0.000 0.792 111 P CB 0.514 31.992 31.700 -0.371 0.000 0.997 112 L N 0.415 121.559 121.223 -0.131 0.000 2.051 112 L HA -0.143 4.197 4.340 0.001 0.000 0.214 112 L C -0.287 176.530 176.870 -0.087 0.000 1.076 112 L CA 2.226 57.010 54.840 -0.094 0.000 0.758 112 L CB -2.515 39.506 42.059 -0.063 0.000 0.890 112 L HN 0.072 nan 8.230 nan 0.000 0.433 113 P HA -0.109 nan 4.420 nan 0.000 0.222 113 P C 0.687 177.947 177.300 -0.066 0.000 1.147 113 P CA 1.148 64.215 63.100 -0.056 0.000 0.790 113 P CB -0.078 31.602 31.700 -0.034 0.000 0.780 114 N N -1.766 116.872 118.700 -0.104 0.000 2.467 114 N HA -0.021 4.719 4.740 0.001 0.000 0.184 114 N C 0.467 175.916 175.510 -0.102 0.000 1.106 114 N CA 0.252 53.241 53.050 -0.101 0.000 0.892 114 N CB -0.583 37.813 38.487 -0.151 0.000 0.969 114 N HN 0.102 nan 8.380 nan 0.000 0.454 115 N N 1.864 120.503 118.700 -0.100 0.000 2.416 115 N HA 0.071 4.811 4.740 0.001 0.000 0.246 115 N C -2.273 173.186 175.510 -0.085 0.000 1.260 115 N CA -0.461 52.533 53.050 -0.093 0.000 0.897 115 N CB 0.359 38.798 38.487 -0.080 0.000 1.110 115 N HN 0.163 nan 8.380 nan 0.000 0.439 116 P HA 0.214 nan 4.420 nan 0.000 0.278 116 P C -1.026 176.198 177.300 -0.126 0.000 1.258 116 P CA -0.502 62.539 63.100 -0.098 0.000 0.811 116 P CB 0.687 32.328 31.700 -0.099 0.000 1.063 117 A N 1.538 124.282 122.820 -0.127 0.000 2.386 117 A HA 0.169 4.489 4.320 0.001 0.000 0.248 117 A C 0.356 177.784 177.584 -0.258 0.000 1.082 117 A CA -0.220 51.700 52.037 -0.194 0.000 0.789 117 A CB -0.338 18.575 19.000 -0.146 0.000 1.025 117 A HN 0.579 nan 8.150 nan 0.000 0.490 118 E N -0.365 119.487 120.200 -0.581 0.000 2.319 118 E HA 0.528 4.878 4.350 0.001 0.000 0.268 118 E C -1.010 175.149 176.600 -0.734 0.000 1.050 118 E CA -0.413 55.530 56.400 -0.762 0.000 0.878 118 E CB 1.519 30.448 29.700 -1.286 0.000 1.066 118 E HN 0.400 nan 8.360 nan 0.000 0.406 119 V N 2.580 122.322 119.914 -0.287 0.000 2.925 119 V HA 0.540 4.660 4.120 0.001 0.000 0.311 119 V C -0.626 175.638 176.094 0.284 0.000 1.104 119 V CA -0.948 61.426 62.300 0.124 0.000 0.954 119 V CB 1.585 33.561 31.823 0.256 0.000 1.022 119 V HN 0.744 nan 8.190 nan 0.000 0.427 120 M N 3.290 123.199 119.600 0.515 0.000 2.520 120 M HA 0.913 5.393 4.480 0.001 0.000 0.280 120 M C -2.038 174.468 176.300 0.343 0.000 1.232 120 M CA -0.555 55.005 55.300 0.433 0.000 0.892 120 M CB 2.273 35.123 32.600 0.417 0.000 1.728 120 M HN 0.179 nan 8.290 nan 0.000 0.475 121 V N 2.106 122.197 119.914 0.294 0.000 2.482 121 V HA 0.970 5.091 4.120 0.001 0.000 0.295 121 V C -0.486 175.701 176.094 0.155 0.000 1.026 121 V CA -0.209 62.158 62.300 0.112 0.000 0.856 121 V CB 1.015 32.794 31.823 -0.073 0.000 1.001 121 V HN 1.196 nan 8.190 nan 0.000 0.424 122 A N 3.857 126.763 122.820 0.144 0.000 2.386 122 A HA 1.081 5.401 4.320 0.001 0.000 0.308 122 A C -0.350 177.310 177.584 0.127 0.000 1.128 122 A CA -0.205 51.969 52.037 0.228 0.000 0.789 122 A CB 2.069 21.262 19.000 0.322 0.000 1.325 122 A HN 1.670 nan 8.150 nan 0.000 0.437 123 A N -0.307 122.653 122.820 0.233 0.000 2.594 123 A HA 0.816 5.136 4.320 0.001 0.000 0.295 123 A C -1.495 176.209 177.584 0.201 0.000 1.071 123 A CA -0.298 51.727 52.037 -0.021 0.000 0.685 123 A CB 0.728 19.756 19.000 0.046 0.000 1.285 123 A HN 2.031 nan 8.150 nan 0.000 0.405 124 W N 0.461 121.680 121.300 -0.136 0.000 3.167 124 W HA 0.733 5.394 4.660 0.001 0.000 0.324 124 W C -0.466 175.767 176.519 -0.476 0.000 1.230 124 W CA -0.684 56.487 57.345 -0.290 0.000 1.184 124 W CB 0.604 30.045 29.460 -0.031 0.000 1.414 124 W HN 0.912 nan 8.180 nan 0.000 0.551 125 E N 2.136 122.174 120.200 -0.270 0.000 2.481 125 E HA -0.087 4.264 4.350 0.001 0.000 0.263 125 E C -1.012 175.651 176.600 0.105 0.000 0.992 125 E CA -0.010 56.298 56.400 -0.153 0.000 0.938 125 E CB 0.654 30.358 29.700 0.008 0.000 0.933 125 E HN 0.585 nan 8.360 nan 0.000 0.453 126 W N 4.953 126.188 121.300 -0.107 0.000 2.554 126 W HA 0.452 5.112 4.660 0.001 0.000 0.324 126 W C -0.736 175.763 176.519 -0.032 0.000 1.018 126 W CA -0.720 56.594 57.345 -0.052 0.000 1.243 126 W CB 1.302 30.692 29.460 -0.118 0.000 1.345 126 W HN 0.716 nan 8.180 nan 0.000 0.441 127 G N 3.778 112.453 108.800 -0.209 0.000 2.299 127 G HA2 0.364 4.324 3.960 0.001 0.000 0.256 127 G HA3 0.364 4.324 3.960 0.001 0.000 0.256 127 G C -0.119 174.835 174.900 0.091 0.000 1.259 127 G CA -0.234 44.827 45.100 -0.066 0.000 0.943 127 G HN 0.696 nan 8.290 nan 0.000 0.479 128 A N 2.947 125.870 122.820 0.173 0.000 2.440 128 A HA 0.455 4.775 4.320 0.001 0.000 0.251 128 A C -0.475 177.245 177.584 0.226 0.000 1.089 128 A CA -0.456 51.727 52.037 0.245 0.000 0.779 128 A CB 0.280 19.395 19.000 0.192 0.000 1.022 128 A HN 0.851 nan 8.150 nan 0.000 0.492 129 Y N 3.032 123.417 120.300 0.142 0.000 2.425 129 Y HA 0.440 4.990 4.550 0.001 0.000 0.347 129 Y C -0.051 175.898 175.900 0.081 0.000 0.976 129 Y CA -0.489 57.669 58.100 0.096 0.000 1.190 129 Y CB 0.759 39.286 38.460 0.112 0.000 1.136 129 Y HN 0.462 nan 8.280 nan 0.000 0.517 130 L N 6.274 127.300 121.223 -0.329 0.000 2.728 130 L HA 0.391 4.731 4.340 0.001 0.000 0.238 130 L C 1.246 177.828 176.870 -0.480 0.000 1.143 130 L CA 0.286 54.955 54.840 -0.286 0.000 0.937 130 L CB -0.101 41.879 42.059 -0.132 0.000 1.225 130 L HN 0.799 nan 8.230 nan 0.000 0.507 131 G N 0.226 108.380 108.800 -1.076 0.000 2.574 131 G HA2 0.468 4.429 3.960 0.001 0.000 0.248 131 G HA3 0.468 4.429 3.960 0.001 0.000 0.248 131 G C 0.524 175.130 174.900 -0.491 0.000 1.422 131 G CA 0.550 45.187 45.100 -0.772 0.000 1.051 131 G HN 0.338 nan 8.290 nan 0.000 0.560 132 E N -2.986 117.198 120.200 -0.026 0.000 2.370 132 E HA 0.034 4.385 4.350 0.001 0.000 0.195 132 E C 1.387 178.118 176.600 0.218 0.000 1.001 132 E CA 0.339 56.859 56.400 0.201 0.000 1.531 132 E CB -0.249 29.499 29.700 0.080 0.000 2.982 132 E HN 0.420 nan 8.360 nan 0.000 1.057 133 E N 1.583 121.881 120.200 0.164 0.000 2.049 133 E HA -0.223 4.128 4.350 0.001 0.000 0.198 133 E C 2.015 178.692 176.600 0.128 0.000 1.007 133 E CA 1.853 58.326 56.400 0.122 0.000 0.809 133 E CB -0.194 29.559 29.700 0.089 0.000 0.749 133 E HN 0.405 nan 8.360 nan 0.000 0.450 134 A N 0.845 123.768 122.820 0.172 0.000 1.883 134 A HA -0.168 4.152 4.320 0.001 0.000 0.217 134 A C 2.521 180.124 177.584 0.032 0.000 1.186 134 A CA 1.422 53.509 52.037 0.083 0.000 0.624 134 A CB -0.736 18.294 19.000 0.050 0.000 0.822 134 A HN 0.131 nan 8.150 nan 0.000 0.444 135 V N 0.006 119.948 119.914 0.046 0.000 2.295 135 V HA -0.268 3.852 4.120 0.001 0.000 0.246 135 V C 2.610 178.727 176.094 0.038 0.000 1.049 135 V CA 2.296 64.602 62.300 0.009 0.000 1.024 135 V CB -0.813 31.043 31.823 0.056 0.000 0.648 135 V HN 0.536 nan 8.190 nan 0.000 0.447 136 R N -0.096 120.444 120.500 0.067 0.000 2.148 136 R HA -0.111 4.230 4.340 0.001 0.000 0.223 136 R C 2.352 178.678 176.300 0.042 0.000 1.088 136 R CA 1.036 57.167 56.100 0.052 0.000 0.985 136 R CB -0.247 30.088 30.300 0.058 0.000 0.880 136 R HN 0.464 nan 8.270 nan 0.000 0.451 137 K N 0.673 121.099 120.400 0.043 0.000 2.155 137 K HA -0.047 4.273 4.320 0.001 0.000 0.203 137 K C 0.324 176.940 176.600 0.027 0.000 1.052 137 K CA 0.956 57.265 56.287 0.036 0.000 0.948 137 K CB 0.086 32.609 32.500 0.037 0.000 0.728 137 K HN 0.245 nan 8.250 nan 0.000 0.448 138 G N -0.028 108.784 108.800 0.021 0.000 2.716 138 G HA2 -0.090 3.870 3.960 0.001 0.000 0.686 138 G HA3 -0.090 3.870 3.960 0.001 0.000 0.686 138 G C -0.481 174.422 174.900 0.005 0.000 1.337 138 G CA -0.407 44.703 45.100 0.018 0.000 0.829 138 G HN 0.474 nan 8.290 nan 0.000 0.599 139 A N 1.795 124.617 122.820 0.003 0.000 2.322 139 A HA 0.813 5.133 4.320 0.001 0.000 0.269 139 A C 0.820 178.386 177.584 -0.031 0.000 1.094 139 A CA -0.029 52.001 52.037 -0.012 0.000 0.807 139 A CB 0.571 19.570 19.000 -0.003 0.000 1.047 139 A HN 0.887 nan 8.150 nan 0.000 0.487 140 R N 0.660 121.121 120.500 -0.065 0.000 2.387 140 R HA 0.553 4.894 4.340 0.001 0.000 0.314 140 R C -1.536 174.677 176.300 -0.145 0.000 0.958 140 R CA -0.593 55.429 56.100 -0.131 0.000 0.846 140 R CB 1.148 31.330 30.300 -0.197 0.000 1.147 140 R HN 0.489 nan 8.270 nan 0.000 0.447 141 L N 3.463 124.597 121.223 -0.148 0.000 2.322 141 L HA 0.605 4.946 4.340 0.001 0.000 0.269 141 L C -0.327 176.437 176.870 -0.177 0.000 1.012 141 L CA -0.591 54.177 54.840 -0.119 0.000 0.815 141 L CB 1.753 43.780 42.059 -0.053 0.000 1.295 141 L HN 0.527 nan 8.230 nan 0.000 0.438 142 I N 0.229 120.725 120.570 -0.123 0.000 2.569 142 I HA 0.254 4.425 4.170 0.001 0.000 0.290 142 I C -0.437 175.666 176.117 -0.024 0.000 1.088 142 I CA -0.562 60.674 61.300 -0.107 0.000 1.047 142 I CB 2.343 40.276 38.000 -0.111 0.000 1.237 142 I HN 0.475 nan 8.210 nan 0.000 0.421 143 T N 3.872 118.430 114.554 0.007 0.000 2.853 143 T HA 0.047 4.397 4.350 0.001 0.000 0.298 143 T C 0.312 175.028 174.700 0.027 0.000 0.978 143 T CA 0.206 62.315 62.100 0.015 0.000 1.152 143 T CB 0.788 69.669 68.868 0.022 0.000 0.914 143 T HN 0.588 nan 8.240 nan 0.000 0.539 144 S N 1.716 117.437 115.700 0.035 0.000 2.603 144 S HA 0.183 4.654 4.470 0.001 0.000 0.268 144 S C 1.460 176.082 174.600 0.037 0.000 1.317 144 S CA -0.397 57.848 58.200 0.075 0.000 1.012 144 S CB 0.461 63.736 63.200 0.124 0.000 0.926 144 S HN 0.795 nan 8.310 nan 0.000 0.539 145 S N 1.966 117.676 115.700 0.017 0.000 2.575 145 S HA 0.201 4.671 4.470 0.001 0.000 0.215 145 S C -0.408 174.006 174.600 -0.310 0.000 0.966 145 S CA -0.637 57.471 58.200 -0.152 0.000 0.911 145 S CB -0.260 62.808 63.200 -0.219 0.000 0.780 145 S HN 0.649 nan 8.310 nan 0.000 0.514 146 W N 1.873 123.156 121.300 -0.029 0.000 2.429 146 W HA 0.743 5.404 4.660 0.001 0.000 0.314 146 W C 0.196 176.674 176.519 -0.068 0.000 1.062 146 W CA -0.815 56.506 57.345 -0.039 0.000 1.211 146 W CB 1.134 30.570 29.460 -0.039 0.000 1.305 146 W HN 0.178 nan 8.180 nan 0.000 0.476 147 A N 3.528 126.411 122.820 0.105 0.000 2.316 147 A HA 0.645 4.965 4.320 0.001 0.000 0.284 147 A C -0.006 177.558 177.584 -0.034 0.000 1.115 147 A CA -0.714 51.336 52.037 0.022 0.000 0.812 147 A CB 0.468 19.471 19.000 0.004 0.000 1.064 147 A HN 0.618 nan 8.150 nan 0.000 0.489 148 R N 1.058 121.479 120.500 -0.133 0.000 2.537 148 R HA 0.330 4.670 4.340 0.001 0.000 0.280 148 R C -0.585 175.562 176.300 -0.256 0.000 1.058 148 R CA -0.358 55.520 56.100 -0.369 0.000 1.057 148 R CB -0.462 29.657 30.300 -0.301 0.000 0.973 148 R HN 0.548 nan 8.270 nan 0.000 0.438 149 F N 3.461 123.428 119.950 0.029 0.000 2.608 149 F HA 0.326 4.854 4.527 0.001 0.000 0.380 149 F C -1.904 173.908 175.800 0.020 0.000 1.083 149 F CA -3.035 54.982 58.000 0.028 0.000 1.266 149 F CB -0.773 38.237 39.000 0.015 0.000 1.076 149 F HN 0.427 nan 8.300 nan 0.000 0.574 150 P HA 0.127 nan 4.420 nan 0.000 0.269 150 P C 0.285 177.672 177.300 0.146 0.000 1.215 150 P CA 0.206 63.397 63.100 0.152 0.000 0.780 150 P CB 0.813 32.575 31.700 0.103 0.000 0.898 151 A N 2.478 125.357 122.820 0.098 0.000 2.216 151 A HA -0.133 4.188 4.320 0.001 0.000 0.214 151 A C 1.108 178.706 177.584 0.023 0.000 1.160 151 A CA 1.211 53.283 52.037 0.059 0.000 0.725 151 A CB -1.071 17.955 19.000 0.044 0.000 0.784 151 A HN 0.684 nan 8.150 nan 0.000 0.472 152 N N -1.001 117.717 118.700 0.030 0.000 2.282 152 N HA 0.154 4.894 4.740 0.001 0.000 0.240 152 N C 0.371 175.888 175.510 0.012 0.000 1.182 152 N CA 0.532 53.589 53.050 0.013 0.000 0.874 152 N CB 0.302 38.799 38.487 0.016 0.000 1.126 152 N HN 0.134 nan 8.380 nan 0.000 0.516 153 V N -0.659 119.265 119.914 0.017 0.000 2.996 153 V HA 0.395 4.515 4.120 0.001 0.000 0.235 153 V C 0.274 176.337 176.094 -0.053 0.000 1.205 153 V CA 0.726 63.038 62.300 0.019 0.000 1.225 153 V CB 0.217 32.093 31.823 0.088 0.000 0.995 153 V HN 0.173 nan 8.190 nan 0.000 0.484 154 M N 1.409 120.917 119.600 -0.153 0.000 2.433 154 M HA 0.437 4.917 4.480 0.001 0.000 0.290 154 M C -3.081 172.968 176.300 -0.419 0.000 1.173 154 M CA -1.898 53.160 55.300 -0.404 0.000 0.905 154 M CB 2.095 34.155 32.600 -0.900 0.000 1.692 154 M HN -0.059 nan 8.290 nan 0.000 0.462 155 P HA 0.175 nan 4.420 nan 0.000 0.268 155 P C 0.756 177.917 177.300 -0.231 0.000 1.541 155 P CA 0.095 63.068 63.100 -0.211 0.000 1.093 155 P CB -0.166 31.450 31.700 -0.139 0.000 1.551 156 G N 3.777 112.490 108.800 -0.145 0.000 2.559 156 G HA2 -0.173 3.787 3.960 0.001 0.000 0.216 156 G HA3 -0.173 3.787 3.960 0.001 0.000 0.216 156 G C 1.286 176.217 174.900 0.051 0.000 1.126 156 G CA 0.219 45.358 45.100 0.064 0.000 0.778 156 G HN 0.312 nan 8.290 nan 0.000 0.543 157 K N 0.315 120.709 120.400 -0.010 0.000 2.426 157 K HA 0.312 4.633 4.320 0.001 0.000 0.193 157 K C 0.902 177.480 176.600 -0.036 0.000 1.028 157 K CA 0.231 56.501 56.287 -0.029 0.000 1.047 157 K CB 0.576 33.043 32.500 -0.055 0.000 0.821 157 K HN 0.285 nan 8.250 nan 0.000 0.513 158 A N 1.257 124.052 122.820 -0.043 0.000 2.337 158 A HA 0.437 4.758 4.320 0.001 0.000 0.331 158 A C -0.524 177.040 177.584 -0.034 0.000 1.137 158 A CA -0.629 51.378 52.037 -0.051 0.000 0.807 158 A CB 0.866 19.825 19.000 -0.068 0.000 1.250 158 A HN 0.021 nan 8.150 nan 0.000 0.468 159 K N 1.708 122.061 120.400 -0.078 0.000 2.363 159 K HA 0.357 4.678 4.320 0.001 0.000 0.240 159 K C -1.011 175.511 176.600 -0.131 0.000 1.169 159 K CA -0.106 56.094 56.287 -0.145 0.000 1.131 159 K CB 0.536 32.730 32.500 -0.511 0.000 1.771 159 K HN 0.389 nan 8.250 nan 0.000 0.380 160 V N 1.483 121.439 119.914 0.070 0.000 2.465 160 V HA 0.076 4.196 4.120 0.001 0.000 0.279 160 V C 1.716 178.016 176.094 0.343 0.000 1.045 160 V CA -0.015 62.361 62.300 0.127 0.000 0.938 160 V CB 1.337 33.183 31.823 0.039 0.000 0.986 160 V HN 0.872 nan 8.190 nan 0.000 0.467 161 G N 4.263 113.292 108.800 0.381 0.000 2.574 161 G HA2 -0.259 3.701 3.960 0.001 0.000 0.220 161 G HA3 -0.259 3.701 3.960 0.001 0.000 0.220 161 G C 1.579 176.710 174.900 0.386 0.000 1.173 161 G CA 1.158 46.523 45.100 0.442 0.000 0.772 161 G HN 0.982 nan 8.290 nan 0.000 0.585 162 G N 0.911 109.859 108.800 0.247 0.000 2.475 162 G HA2 -0.291 3.670 3.960 0.001 0.000 0.220 162 G HA3 -0.291 3.670 3.960 0.001 0.000 0.220 162 G C 1.730 176.729 174.900 0.166 0.000 1.125 162 G CA 1.278 46.485 45.100 0.177 0.000 0.755 162 G HN 0.445 nan 8.290 nan 0.000 0.565 163 N N 0.185 118.972 118.700 0.145 0.000 2.149 163 N HA -0.112 4.628 4.740 0.001 0.000 0.188 163 N C 1.539 177.126 175.510 0.128 0.000 1.019 163 N CA 0.859 53.944 53.050 0.058 0.000 0.857 163 N CB -0.498 37.917 38.487 -0.120 0.000 0.997 163 N HN 0.478 nan 8.380 nan 0.000 0.426 164 Y N 0.106 120.551 120.300 0.242 0.000 2.632 164 Y HA 0.038 4.588 4.550 0.001 0.000 0.301 164 Y C 2.031 177.989 175.900 0.097 0.000 1.172 164 Y CA -0.026 58.193 58.100 0.199 0.000 1.328 164 Y CB -0.251 38.346 38.460 0.230 0.000 1.016 164 Y HN -0.132 nan 8.280 nan 0.000 0.529 165 V N 0.312 120.313 119.914 0.145 0.000 2.358 165 V HA -0.295 3.826 4.120 0.001 0.000 0.246 165 V C 2.414 178.458 176.094 -0.084 0.000 1.047 165 V CA 1.993 64.308 62.300 0.024 0.000 1.035 165 V CB -0.463 31.370 31.823 0.016 0.000 0.658 165 V HN 0.578 nan 8.190 nan 0.000 0.452 166 N N 0.077 118.761 118.700 -0.027 0.000 2.084 166 N HA -0.168 4.573 4.740 0.001 0.000 0.190 166 N C 1.949 177.357 175.510 -0.169 0.000 1.030 166 N CA 1.926 54.904 53.050 -0.119 0.000 0.849 166 N CB 0.022 38.489 38.487 -0.032 0.000 1.012 166 N HN 0.437 nan 8.380 nan 0.000 0.423 167 S N 0.687 116.323 115.700 -0.106 0.000 2.368 167 S HA -0.068 4.402 4.470 0.001 0.000 0.225 167 S C 2.137 176.722 174.600 -0.025 0.000 1.030 167 S CA 1.147 59.313 58.200 -0.057 0.000 0.999 167 S CB -0.359 62.855 63.200 0.024 0.000 0.844 167 S HN 0.575 nan 8.310 nan 0.000 0.459 168 A N 1.443 124.254 122.820 -0.016 0.000 1.902 168 A HA -0.007 4.313 4.320 0.001 0.000 0.217 168 A C 2.129 179.633 177.584 -0.134 0.000 1.181 168 A CA 1.169 53.182 52.037 -0.039 0.000 0.623 168 A CB -0.746 18.239 19.000 -0.024 0.000 0.818 168 A HN 0.444 nan 8.150 nan 0.000 0.443 169 L N -0.817 120.229 121.223 -0.294 0.000 2.046 169 L HA -0.196 4.144 4.340 0.001 0.000 0.208 169 L C 3.073 179.757 176.870 -0.309 0.000 1.077 169 L CA 1.112 55.652 54.840 -0.500 0.000 0.747 169 L CB -0.475 40.839 42.059 -1.241 0.000 0.896 169 L HN 0.440 nan 8.230 nan 0.000 0.432 170 A N -0.178 122.521 122.820 -0.203 0.000 1.898 170 A HA -0.214 4.106 4.320 0.001 0.000 0.216 170 A C 2.294 179.893 177.584 0.024 0.000 1.181 170 A CA 1.737 53.782 52.037 0.014 0.000 0.620 170 A CB -0.340 18.675 19.000 0.025 0.000 0.819 170 A HN 0.201 nan 8.150 nan 0.000 0.442 171 K N -0.067 120.331 120.400 -0.005 0.000 2.026 171 K HA -0.013 4.307 4.320 0.001 0.000 0.208 171 K C 1.948 178.556 176.600 0.014 0.000 1.048 171 K CA 1.890 58.185 56.287 0.013 0.000 0.929 171 K CB -0.473 32.039 32.500 0.019 0.000 0.713 171 K HN 0.483 nan 8.250 nan 0.000 0.439 172 M N 0.327 119.927 119.600 0.000 0.000 2.108 172 M HA -0.186 4.294 4.480 0.001 0.000 0.261 172 M C 2.235 178.561 176.300 0.043 0.000 1.066 172 M CA 1.991 57.297 55.300 0.011 0.000 1.107 172 M CB -0.407 32.189 32.600 -0.005 0.000 1.356 172 M HN 0.339 nan 8.290 nan 0.000 0.406 173 E N 0.569 120.812 120.200 0.071 0.000 2.031 173 E HA -0.212 4.139 4.350 0.001 0.000 0.193 173 E C 1.949 178.601 176.600 0.087 0.000 0.994 173 E CA 1.502 57.969 56.400 0.113 0.000 0.800 173 E CB -0.013 29.803 29.700 0.193 0.000 0.752 173 E HN 0.459 nan 8.360 nan 0.000 0.447 174 A N 0.676 123.536 122.820 0.067 0.000 1.883 174 A HA -0.155 4.166 4.320 0.001 0.000 0.217 174 A C 2.462 180.068 177.584 0.036 0.000 1.186 174 A CA 1.692 53.754 52.037 0.041 0.000 0.624 174 A CB -0.856 18.156 19.000 0.019 0.000 0.822 174 A HN 0.246 nan 8.150 nan 0.000 0.444 175 V N -0.108 119.825 119.914 0.032 0.000 2.332 175 V HA -0.263 3.858 4.120 0.001 0.000 0.248 175 V C 3.028 179.149 176.094 0.045 0.000 1.055 175 V CA 1.981 64.298 62.300 0.028 0.000 1.038 175 V CB -1.231 30.603 31.823 0.018 0.000 0.651 175 V HN 0.625 nan 8.190 nan 0.000 0.450 176 A N -0.178 122.673 122.820 0.053 0.000 2.019 176 A HA -0.007 4.313 4.320 0.001 0.000 0.219 176 A C 2.225 179.860 177.584 0.085 0.000 1.164 176 A CA 1.718 53.792 52.037 0.061 0.000 0.644 176 A CB -0.514 18.523 19.000 0.061 0.000 0.805 176 A HN 0.595 nan 8.150 nan 0.000 0.449 177 A N -2.009 120.873 122.820 0.104 0.000 2.238 177 A HA 0.416 4.736 4.320 0.001 0.000 0.208 177 A C 1.755 179.473 177.584 0.222 0.000 1.177 177 A CA 1.196 53.331 52.037 0.163 0.000 0.804 177 A CB -0.768 18.333 19.000 0.170 0.000 0.823 177 A HN 1.816 nan 8.150 nan 0.000 0.482 178 G N -2.287 106.599 108.800 0.143 0.000 2.175 178 G HA2 0.107 4.068 3.960 0.001 0.000 0.244 178 G HA3 0.107 4.068 3.960 0.001 0.000 0.244 178 G C 0.436 175.370 174.900 0.057 0.000 0.982 178 G CA 0.297 45.487 45.100 0.150 0.000 0.641 178 G HN 1.506 nan 8.290 nan 0.000 0.527 179 A N -0.208 122.603 122.820 -0.015 0.000 2.257 179 A HA 0.679 4.999 4.320 0.001 0.000 0.289 179 A C 1.067 178.621 177.584 -0.050 0.000 1.095 179 A CA 0.515 52.489 52.037 -0.106 0.000 0.836 179 A CB 0.568 19.474 19.000 -0.157 0.000 1.111 179 A HN 0.067 nan 8.150 nan 0.000 0.497 180 D N -0.788 119.576 120.400 -0.059 0.000 2.240 180 D HA 0.117 4.758 4.640 0.001 0.000 0.206 180 D C 0.257 176.548 176.300 -0.015 0.000 0.963 180 D CA 1.199 55.182 54.000 -0.029 0.000 0.863 180 D CB 0.489 41.272 40.800 -0.028 0.000 0.973 180 D HN 0.597 nan 8.370 nan 0.000 0.501 181 E N -0.645 119.542 120.200 -0.023 0.000 2.430 181 E HA 0.562 4.912 4.350 0.001 0.000 0.279 181 E C -1.821 174.774 176.600 -0.009 0.000 1.003 181 E CA -0.884 55.515 56.400 -0.003 0.000 0.801 181 E CB 1.706 31.413 29.700 0.011 0.000 1.313 181 E HN -0.079 nan 8.360 nan 0.000 0.459 182 A N 1.657 124.482 122.820 0.008 0.000 2.312 182 A HA 0.710 5.030 4.320 0.001 0.000 0.328 182 A C -1.349 176.238 177.584 0.005 0.000 1.158 182 A CA -0.609 51.433 52.037 0.010 0.000 0.821 182 A CB 0.734 19.751 19.000 0.028 0.000 1.170 182 A HN 0.486 nan 8.150 nan 0.000 0.490 183 L N 2.943 124.165 121.223 -0.002 0.000 2.319 183 L HA 0.682 5.023 4.340 0.001 0.000 0.281 183 L C -1.431 175.431 176.870 -0.013 0.000 1.005 183 L CA -0.554 54.279 54.840 -0.012 0.000 0.828 183 L CB 0.686 42.733 42.059 -0.020 0.000 1.227 183 L HN 0.492 nan 8.230 nan 0.000 0.415 184 L N 5.629 126.838 121.223 -0.024 0.000 2.322 184 L HA 0.553 4.894 4.340 0.001 0.000 0.279 184 L C -0.118 176.727 176.870 -0.042 0.000 1.036 184 L CA -0.105 54.717 54.840 -0.031 0.000 0.807 184 L CB 1.478 43.501 42.059 -0.061 0.000 1.226 184 L HN 0.524 nan 8.230 nan 0.000 0.433 185 L N 1.170 122.371 121.223 -0.038 0.000 2.352 185 L HA 0.503 4.844 4.340 0.001 0.000 0.269 185 L C -0.247 176.608 176.870 -0.026 0.000 1.034 185 L CA -1.122 53.697 54.840 -0.035 0.000 0.806 185 L CB 1.421 43.449 42.059 -0.052 0.000 1.244 185 L HN 0.644 nan 8.230 nan 0.000 0.447 186 D N -0.747 119.657 120.400 0.006 0.000 2.433 186 D HA 0.018 4.658 4.640 0.001 0.000 0.255 186 D C 0.621 176.933 176.300 0.019 0.000 1.226 186 D CA -0.513 53.498 54.000 0.017 0.000 1.015 186 D CB 0.641 41.475 40.800 0.056 0.000 1.091 186 D HN 0.461 nan 8.370 nan 0.000 0.527 187 E N -0.897 119.321 120.200 0.030 0.000 2.265 187 E HA -0.177 4.173 4.350 0.001 0.000 0.196 187 E C 1.154 177.766 176.600 0.019 0.000 0.996 187 E CA 1.167 57.580 56.400 0.022 0.000 0.832 187 E CB -0.063 29.658 29.700 0.036 0.000 0.756 187 E HN 0.474 nan 8.360 nan 0.000 0.491 188 E N -1.646 118.587 120.200 0.055 0.000 2.435 188 E HA 0.190 4.540 4.350 0.001 0.000 0.195 188 E C 1.179 177.752 176.600 -0.044 0.000 1.029 188 E CA 0.748 57.185 56.400 0.062 0.000 0.865 188 E CB 0.343 30.160 29.700 0.196 0.000 0.833 188 E HN 0.315 nan 8.360 nan 0.000 0.510 189 G N -0.899 107.861 108.800 -0.066 0.000 2.184 189 G HA2 -0.261 3.699 3.960 0.001 0.000 0.206 189 G HA3 -0.261 3.699 3.960 0.001 0.000 0.206 189 G C -0.199 174.535 174.900 -0.275 0.000 0.995 189 G CA -0.310 44.675 45.100 -0.191 0.000 0.651 189 G HN 0.214 nan 8.290 nan 0.000 0.511 190 Y N 0.195 120.455 120.300 -0.067 0.000 2.316 190 Y HA 0.523 5.073 4.550 0.001 0.000 0.324 190 Y C 1.301 177.148 175.900 -0.089 0.000 1.267 190 Y CA -0.675 57.376 58.100 -0.083 0.000 1.311 190 Y CB 1.187 39.607 38.460 -0.067 0.000 1.267 190 Y HN 0.039 nan 8.280 nan 0.000 0.516 191 V N 2.660 122.608 119.914 0.057 0.000 2.673 191 V HA 0.104 4.224 4.120 0.001 0.000 0.303 191 V C 0.535 176.632 176.094 0.005 0.000 1.046 191 V CA 0.839 63.129 62.300 -0.016 0.000 1.126 191 V CB 0.410 32.195 31.823 -0.064 0.000 0.934 191 V HN 1.049 nan 8.190 nan 0.000 0.487 192 A N 4.442 127.251 122.820 -0.019 0.000 2.283 192 A HA 0.543 4.864 4.320 0.001 0.000 0.225 192 A C 0.515 178.079 177.584 -0.034 0.000 2.109 192 A CA 0.643 52.665 52.037 -0.024 0.000 0.889 192 A CB 0.282 19.256 19.000 -0.044 0.000 1.437 192 A HN 0.900 nan 8.150 nan 0.000 0.595 193 E N -2.326 117.850 120.200 -0.040 0.000 2.442 193 E HA 0.500 4.850 4.350 0.001 0.000 0.278 193 E C -0.020 176.569 176.600 -0.019 0.000 1.082 193 E CA -0.596 55.790 56.400 -0.024 0.000 0.861 193 E CB 0.391 30.086 29.700 -0.009 0.000 1.462 193 E HN 0.540 nan 8.360 nan 0.000 0.458 194 G N -0.171 108.633 108.800 0.008 0.000 2.588 194 G HA2 0.262 4.223 3.960 0.001 0.000 0.281 194 G HA3 0.262 4.223 3.960 0.001 0.000 0.281 194 G C 0.854 175.765 174.900 0.018 0.000 1.236 194 G CA 0.012 45.123 45.100 0.017 0.000 0.969 194 G HN 0.605 nan 8.290 nan 0.000 0.504 195 S N -1.626 114.092 115.700 0.029 0.000 2.442 195 S HA 0.096 4.567 4.470 0.001 0.000 0.236 195 S C 1.507 176.171 174.600 0.107 0.000 1.007 195 S CA 1.240 59.462 58.200 0.037 0.000 0.965 195 S CB 0.075 63.304 63.200 0.048 0.000 0.773 195 S HN 1.412 nan 8.310 nan 0.000 0.504 196 G N -0.089 108.791 108.800 0.133 0.000 5.129 196 G HA2 0.536 4.496 3.960 0.001 0.000 0.253 196 G HA3 0.536 4.496 3.960 0.001 0.000 0.253 196 G C -0.716 174.286 174.900 0.169 0.000 0.912 196 G CA -0.557 44.667 45.100 0.208 0.000 0.729 196 G HN 0.408 nan 8.290 nan 0.000 0.373 197 E N -0.381 119.893 120.200 0.122 0.000 2.433 197 E HA 0.423 4.773 4.350 0.001 0.000 0.278 197 E C -0.903 175.752 176.600 0.091 0.000 0.976 197 E CA -0.776 55.692 56.400 0.113 0.000 0.793 197 E CB 1.273 31.035 29.700 0.104 0.000 1.311 197 E HN 0.170 nan 8.360 nan 0.000 0.460 198 N N 0.077 118.840 118.700 0.106 0.000 2.489 198 N HA 0.608 5.348 4.740 0.001 0.000 0.284 198 N C -1.003 174.556 175.510 0.081 0.000 1.158 198 N CA -0.584 52.508 53.050 0.070 0.000 0.965 198 N CB 1.008 39.541 38.487 0.077 0.000 1.195 198 N HN 0.196 nan 8.380 nan 0.000 0.506 199 L N 1.311 122.516 121.223 -0.029 0.000 2.333 199 L HA 0.624 4.964 4.340 0.001 0.000 0.269 199 L C -1.211 175.536 176.870 -0.205 0.000 1.010 199 L CA -0.626 54.196 54.840 -0.029 0.000 0.818 199 L CB 1.004 43.044 42.059 -0.032 0.000 1.306 199 L HN 0.433 nan 8.230 nan 0.000 0.430 200 F N 1.203 120.911 119.950 -0.404 0.000 2.626 200 F HA 0.651 5.178 4.527 0.001 0.000 0.311 200 F C -0.402 175.182 175.800 -0.360 0.000 1.088 200 F CA -0.772 56.883 58.000 -0.575 0.000 0.949 200 F CB 2.052 40.188 39.000 -1.439 0.000 1.322 200 F HN 0.273 nan 8.300 nan 0.000 0.461 201 F N -0.840 119.058 119.950 -0.087 0.000 2.662 201 F HA 0.920 5.447 4.527 0.000 0.000 0.312 201 F C -2.083 173.830 175.800 0.188 0.000 1.113 201 F CA -1.379 56.629 58.000 0.013 0.000 0.951 201 F CB 1.251 40.245 39.000 -0.011 0.000 1.344 201 F HN 0.207 nan 8.300 nan 0.000 0.462 202 V N 2.006 122.121 119.914 0.336 0.000 2.656 202 V HA 0.782 4.902 4.120 0.001 0.000 0.307 202 V C -1.087 175.207 176.094 0.334 0.000 1.051 202 V CA -0.632 61.826 62.300 0.263 0.000 0.893 202 V CB 1.817 33.766 31.823 0.209 0.000 0.999 202 V HN 0.856 nan 8.190 nan 0.000 0.426 203 R N 2.775 123.486 120.500 0.353 0.000 2.510 203 R HA 0.476 4.816 4.340 0.001 0.000 0.287 203 R C -0.783 175.673 176.300 0.260 0.000 1.084 203 R CA -0.257 56.028 56.100 0.308 0.000 0.934 203 R CB 0.739 31.229 30.300 0.317 0.000 1.201 203 R HN 0.760 nan 8.270 nan 0.000 0.431 204 D N 3.872 124.380 120.400 0.179 0.000 2.689 204 D HA -0.187 4.453 4.640 0.001 0.000 0.237 204 D C 0.607 176.988 176.300 0.134 0.000 1.148 204 D CA 1.992 56.078 54.000 0.142 0.000 0.656 204 D CB -0.941 39.940 40.800 0.136 0.000 1.050 204 D HN 1.078 nan 8.370 nan 0.000 0.426 205 G N -2.090 106.792 108.800 0.136 0.000 2.184 205 G HA2 -0.344 3.616 3.960 0.001 0.000 0.264 205 G HA3 -0.344 3.616 3.960 0.001 0.000 0.264 205 G C 0.424 175.398 174.900 0.123 0.000 0.975 205 G CA 0.433 45.618 45.100 0.141 0.000 0.642 205 G HN 0.607 nan 8.290 nan 0.000 0.536 206 V N 1.807 121.766 119.914 0.075 0.000 2.427 206 V HA 0.576 4.697 4.120 0.001 0.000 0.286 206 V C 0.784 176.749 176.094 -0.214 0.000 1.034 206 V CA -0.735 61.508 62.300 -0.094 0.000 0.893 206 V CB 1.758 33.455 31.823 -0.211 0.000 0.982 206 V HN 0.294 nan 8.190 nan 0.000 0.452 207 I N 4.861 125.265 120.570 -0.276 0.000 2.342 207 I HA 0.333 4.504 4.170 0.001 0.000 0.291 207 I C -1.027 174.807 176.117 -0.472 0.000 1.010 207 I CA -0.284 60.886 61.300 -0.217 0.000 1.308 207 I CB 0.769 38.729 38.000 -0.067 0.000 1.400 207 I HN 0.527 nan 8.210 nan 0.000 0.488 208 Y N 5.185 125.250 120.300 -0.391 0.000 2.356 208 Y HA 0.579 5.130 4.550 0.001 0.000 0.334 208 Y C 0.438 176.057 175.900 -0.469 0.000 0.958 208 Y CA -0.707 57.039 58.100 -0.590 0.000 1.196 208 Y CB 1.540 39.165 38.460 -1.392 0.000 1.137 208 Y HN 0.581 nan 8.280 nan 0.000 0.485 209 A N 4.539 127.202 122.820 -0.263 0.000 2.310 209 A HA 0.691 5.011 4.320 0.001 0.000 0.299 209 A C -0.469 176.863 177.584 -0.419 0.000 1.147 209 A CA -0.683 50.978 52.037 -0.627 0.000 0.818 209 A CB 0.519 19.183 19.000 -0.562 0.000 1.096 209 A HN 0.813 nan 8.150 nan 0.000 0.495 210 L N 1.700 122.645 121.223 -0.463 0.000 2.418 210 L HA 0.226 4.566 4.340 0.001 0.000 0.265 210 L C 0.729 177.431 176.870 -0.280 0.000 1.143 210 L CA -0.356 54.340 54.840 -0.240 0.000 0.809 210 L CB 0.555 42.511 42.059 -0.171 0.000 1.124 210 L HN 0.792 nan 8.230 nan 0.000 0.456 211 E N 0.737 120.814 120.200 -0.205 0.000 2.409 211 E HA -0.025 4.326 4.350 0.001 0.000 0.257 211 E C 0.613 177.092 176.600 -0.202 0.000 1.150 211 E CA -0.505 55.750 56.400 -0.242 0.000 0.942 211 E CB 0.626 30.236 29.700 -0.149 0.000 0.979 211 E HN 0.477 nan 8.360 nan 0.000 0.447 212 H N 0.948 119.978 119.070 -0.067 0.000 2.423 212 H HA -0.137 4.419 4.556 0.001 0.000 0.297 212 H C 1.781 177.089 175.328 -0.033 0.000 1.075 212 H CA 1.120 57.139 56.048 -0.048 0.000 1.342 212 H CB -0.296 29.447 29.762 -0.032 0.000 1.395 212 H HN 0.714 nan 8.280 nan 0.000 0.530 213 S N 0.454 116.196 115.700 0.070 0.000 4.135 213 S HA -0.324 4.146 4.470 0.001 0.000 0.538 213 S C 1.746 176.383 174.600 0.062 0.000 1.522 213 S CA 2.889 61.109 58.200 0.034 0.000 3.869 213 S CB -1.441 61.756 63.200 -0.005 0.000 1.628 213 S HN 0.383 nan 8.310 nan 0.000 0.492 214 V N -0.099 119.853 119.914 0.063 0.000 3.514 214 V HA 0.420 4.540 4.120 0.001 0.000 0.301 214 V C 0.601 176.769 176.094 0.124 0.000 1.346 214 V CA -0.010 62.352 62.300 0.103 0.000 1.156 214 V CB -1.298 30.600 31.823 0.124 0.000 1.029 214 V HN 0.587 nan 8.190 nan 0.000 0.428 215 N N 0.935 119.687 118.700 0.087 0.000 2.413 215 N HA 0.457 5.197 4.740 0.001 0.000 0.266 215 N C -0.582 174.979 175.510 0.085 0.000 1.238 215 N CA -0.521 52.578 53.050 0.082 0.000 0.972 215 N CB 1.618 40.141 38.487 0.059 0.000 1.210 215 N HN 0.287 nan 8.380 nan 0.000 0.547 216 L N 0.604 121.876 121.223 0.081 0.000 2.371 216 L HA 0.131 4.471 4.340 0.001 0.000 0.272 216 L C 0.240 177.134 176.870 0.040 0.000 1.124 216 L CA 0.043 54.916 54.840 0.055 0.000 0.816 216 L CB 0.361 42.471 42.059 0.084 0.000 1.129 216 L HN 0.403 nan 8.230 nan 0.000 0.448 217 E N 4.151 124.323 120.200 -0.047 0.000 1.814 217 E HA 0.201 4.552 4.350 0.001 0.000 0.264 217 E C 0.124 176.726 176.600 0.004 0.000 1.179 217 E CA -0.230 56.119 56.400 -0.085 0.000 0.972 217 E CB 0.152 29.644 29.700 -0.347 0.000 1.077 217 E HN 0.847 nan 8.360 nan 0.000 0.417 218 G N 2.487 111.330 108.800 0.072 0.000 2.305 218 G HA2 -0.051 3.910 3.960 0.001 0.000 0.243 218 G HA3 -0.051 3.910 3.960 0.001 0.000 0.243 218 G C 0.818 175.737 174.900 0.033 0.000 1.288 218 G CA -0.290 44.850 45.100 0.067 0.000 0.901 218 G HN 0.578 nan 8.290 nan 0.000 0.516 219 I N 1.640 122.194 120.570 -0.027 0.000 2.617 219 I HA -0.119 4.051 4.170 0.001 0.000 0.256 219 I C 2.676 178.779 176.117 -0.023 0.000 1.167 219 I CA 1.005 62.244 61.300 -0.101 0.000 1.469 219 I CB -0.011 37.805 38.000 -0.307 0.000 1.098 219 I HN 0.498 nan 8.210 nan 0.000 0.436 220 T N 0.209 114.787 114.554 0.040 0.000 2.812 220 T HA -0.143 4.207 4.350 0.001 0.000 0.264 220 T C 1.987 176.691 174.700 0.006 0.000 1.042 220 T CA 0.880 62.976 62.100 -0.007 0.000 1.140 220 T CB -0.223 68.606 68.868 -0.064 0.000 0.870 220 T HN 0.304 nan 8.240 nan 0.000 0.445 221 R N 1.243 121.818 120.500 0.125 0.000 2.083 221 R HA -0.188 4.152 4.340 0.001 0.000 0.237 221 R C 2.176 178.627 176.300 0.252 0.000 1.137 221 R CA 2.257 58.543 56.100 0.309 0.000 0.951 221 R CB -0.495 29.952 30.300 0.244 0.000 0.851 221 R HN 0.381 nan 8.270 nan 0.000 0.434 222 D N -0.394 120.087 120.400 0.136 0.000 2.104 222 D HA -0.131 4.510 4.640 0.001 0.000 0.194 222 D C 1.726 178.097 176.300 0.118 0.000 0.994 222 D CA 2.095 56.166 54.000 0.117 0.000 0.830 222 D CB 0.025 40.857 40.800 0.054 0.000 0.959 222 D HN 0.203 nan 8.370 nan 0.000 0.452 223 S N -0.760 114.944 115.700 0.007 0.000 2.359 223 S HA -0.145 4.325 4.470 0.001 0.000 0.224 223 S C 2.212 176.887 174.600 0.126 0.000 1.035 223 S CA 0.994 59.175 58.200 -0.031 0.000 1.018 223 S CB -0.401 62.660 63.200 -0.231 0.000 0.876 223 S HN 0.179 nan 8.310 nan 0.000 0.448 224 V N 2.061 121.994 119.914 0.032 0.000 2.407 224 V HA -0.164 3.957 4.120 0.001 0.000 0.248 224 V C 2.047 178.184 176.094 0.072 0.000 1.055 224 V CA 1.466 63.746 62.300 -0.033 0.000 1.049 224 V CB -0.680 31.006 31.823 -0.228 0.000 0.662 224 V HN 0.451 nan 8.190 nan 0.000 0.455 225 I N -0.441 120.241 120.570 0.186 0.000 2.252 225 I HA -0.232 3.938 4.170 0.001 0.000 0.245 225 I C 2.739 178.968 176.117 0.186 0.000 1.102 225 I CA 1.653 63.081 61.300 0.214 0.000 1.385 225 I CB -0.403 37.731 38.000 0.224 0.000 1.064 225 I HN 0.224 nan 8.210 nan 0.000 0.414 226 R N 1.470 122.102 120.500 0.221 0.000 2.073 226 R HA -0.157 4.184 4.340 0.001 0.000 0.234 226 R C 2.365 178.807 176.300 0.237 0.000 1.134 226 R CA 1.571 57.818 56.100 0.245 0.000 0.952 226 R CB -0.236 30.275 30.300 0.352 0.000 0.850 226 R HN 0.263 nan 8.270 nan 0.000 0.433 227 I N 0.981 121.682 120.570 0.218 0.000 2.163 227 I HA -0.307 3.864 4.170 0.001 0.000 0.243 227 I C 2.644 178.889 176.117 0.213 0.000 1.085 227 I CA 1.467 62.890 61.300 0.205 0.000 1.347 227 I CB -0.507 37.565 38.000 0.119 0.000 1.044 227 I HN 0.334 nan 8.210 nan 0.000 0.408 228 A N 0.875 123.800 122.820 0.175 0.000 1.873 228 A HA -0.271 4.049 4.320 0.001 0.000 0.218 228 A C 2.328 180.074 177.584 0.270 0.000 1.193 228 A CA 1.998 54.177 52.037 0.237 0.000 0.629 228 A CB -0.590 18.484 19.000 0.123 0.000 0.826 228 A HN 0.348 nan 8.150 nan 0.000 0.447 229 K N -0.638 119.875 120.400 0.188 0.000 2.063 229 K HA -0.161 4.160 4.320 0.001 0.000 0.208 229 K C 1.555 178.225 176.600 0.117 0.000 1.048 229 K CA 1.461 57.831 56.287 0.140 0.000 0.928 229 K CB -0.285 32.284 32.500 0.116 0.000 0.713 229 K HN 0.413 nan 8.250 nan 0.000 0.442 230 D N 0.933 121.421 120.400 0.147 0.000 2.178 230 D HA -0.118 4.522 4.640 0.001 0.000 0.201 230 D C 1.671 178.017 176.300 0.076 0.000 0.980 230 D CA 0.966 55.038 54.000 0.119 0.000 0.842 230 D CB -0.026 40.891 40.800 0.195 0.000 0.948 230 D HN 0.162 nan 8.370 nan 0.000 0.472 231 L N -0.778 120.507 121.223 0.102 0.000 2.552 231 L HA 0.130 4.470 4.340 0.001 0.000 0.227 231 L C 1.586 178.361 176.870 -0.157 0.000 1.146 231 L CA 0.555 55.401 54.840 0.009 0.000 0.858 231 L CB -0.013 42.109 42.059 0.105 0.000 0.969 231 L HN 0.158 nan 8.230 nan 0.000 0.451 232 G N -1.740 107.007 108.800 -0.088 0.000 2.179 232 G HA2 -0.280 3.680 3.960 0.001 0.000 0.220 232 G HA3 -0.280 3.680 3.960 0.001 0.000 0.220 232 G C -0.007 174.809 174.900 -0.141 0.000 0.990 232 G CA -0.558 44.461 45.100 -0.136 0.000 0.646 232 G HN 0.185 nan 8.290 nan 0.000 0.517 233 Y N 1.191 121.495 120.300 0.007 0.000 2.336 233 Y HA 0.487 5.038 4.550 0.001 0.000 0.331 233 Y C 0.955 176.843 175.900 -0.020 0.000 1.211 233 Y CA -0.118 57.979 58.100 -0.006 0.000 1.346 233 Y CB 0.671 39.130 38.460 -0.001 0.000 1.271 233 Y HN 0.271 nan 8.280 nan 0.000 0.538 234 E N 1.761 122.039 120.200 0.130 0.000 2.259 234 E HA 0.461 4.811 4.350 0.001 0.000 0.281 234 E C -1.645 174.931 176.600 -0.040 0.000 1.027 234 E CA -0.426 55.986 56.400 0.019 0.000 0.838 234 E CB 0.762 30.447 29.700 -0.025 0.000 1.066 234 E HN 0.434 nan 8.360 nan 0.000 0.401 235 V N 5.071 124.952 119.914 -0.056 0.000 2.444 235 V HA 0.262 4.382 4.120 0.001 0.000 0.294 235 V C -0.402 175.603 176.094 -0.149 0.000 1.022 235 V CA -0.727 61.514 62.300 -0.098 0.000 0.850 235 V CB 1.562 33.391 31.823 0.010 0.000 0.992 235 V HN 0.753 nan 8.190 nan 0.000 0.426 236 Q N 2.540 122.174 119.800 -0.277 0.000 2.348 236 Q HA 0.733 5.073 4.340 0.001 0.000 0.271 236 Q C -1.360 174.559 176.000 -0.134 0.000 1.067 236 Q CA -0.824 54.859 55.803 -0.200 0.000 0.839 236 Q CB 3.089 31.679 28.738 -0.247 0.000 1.354 236 Q HN 0.567 nan 8.270 nan 0.000 0.447 237 V N 2.735 122.601 119.914 -0.079 0.000 2.357 237 V HA 0.531 4.651 4.120 0.001 0.000 0.284 237 V C -0.149 175.919 176.094 -0.043 0.000 1.018 237 V CA -0.511 61.729 62.300 -0.100 0.000 0.841 237 V CB 1.140 32.883 31.823 -0.133 0.000 0.991 237 V HN 0.620 nan 8.190 nan 0.000 0.437 238 V N 2.609 122.513 119.914 -0.017 0.000 3.182 238 V HA 0.735 4.856 4.120 0.001 0.000 0.308 238 V C -0.586 175.500 176.094 -0.013 0.000 1.240 238 V CA -1.337 60.974 62.300 0.019 0.000 1.063 238 V CB 2.194 34.089 31.823 0.120 0.000 1.076 238 V HN 0.797 nan 8.190 nan 0.000 0.446 239 R N 0.794 121.271 120.500 -0.038 0.000 2.428 239 R HA 0.856 5.196 4.340 0.001 0.000 0.294 239 R C -0.425 175.876 176.300 0.002 0.000 1.000 239 R CA 0.328 56.372 56.100 -0.095 0.000 0.960 239 R CB 1.458 31.593 30.300 -0.275 0.000 1.076 239 R HN 1.408 nan 8.270 nan 0.000 0.475 240 A N 1.963 124.809 122.820 0.043 0.000 2.454 240 A HA 0.557 4.877 4.320 0.001 0.000 0.302 240 A C -0.728 176.886 177.584 0.051 0.000 1.079 240 A CA -0.727 51.321 52.037 0.018 0.000 0.731 240 A CB 1.717 20.676 19.000 -0.068 0.000 1.299 240 A HN 0.824 nan 8.150 nan 0.000 0.413 241 T N -1.707 112.793 114.554 -0.090 0.000 2.952 241 T HA 0.455 4.806 4.350 0.001 0.000 0.286 241 T C 1.211 175.709 174.700 -0.335 0.000 1.024 241 T CA -0.240 61.752 62.100 -0.181 0.000 1.029 241 T CB 1.238 69.978 68.868 -0.212 0.000 1.094 241 T HN 0.864 nan 8.240 nan 0.000 0.515 242 R N 0.989 121.254 120.500 -0.392 0.000 2.105 242 R HA -0.122 4.218 4.340 0.001 0.000 0.239 242 R C 1.025 176.704 176.300 -1.035 0.000 1.135 242 R CA 1.969 57.694 56.100 -0.624 0.000 0.967 242 R CB -0.937 29.034 30.300 -0.549 0.000 0.861 242 R HN 0.759 nan 8.270 nan 0.000 0.442 243 D N 0.585 120.551 120.400 -0.723 0.000 2.317 243 D HA -0.131 4.509 4.640 0.001 0.000 0.211 243 D C 1.629 177.725 176.300 -0.340 0.000 0.966 243 D CA 0.626 54.310 54.000 -0.525 0.000 0.876 243 D CB -0.269 40.439 40.800 -0.153 0.000 0.927 243 D HN 0.437 nan 8.370 nan 0.000 0.519 244 Q N -0.058 119.497 119.800 -0.409 0.000 2.172 244 Q HA 0.069 4.409 4.340 0.001 0.000 0.200 244 Q C 2.342 177.999 176.000 -0.572 0.000 0.964 244 Q CA 0.556 56.087 55.803 -0.453 0.000 0.855 244 Q CB 0.115 28.521 28.738 -0.553 0.000 0.918 244 Q HN 0.346 nan 8.270 nan 0.000 0.444 245 L N -0.805 120.073 121.223 -0.576 0.000 2.072 245 L HA -0.147 4.193 4.340 0.001 0.000 0.205 245 L C 2.063 178.864 176.870 -0.115 0.000 1.079 245 L CA 1.154 55.746 54.840 -0.413 0.000 0.752 245 L CB -0.644 41.212 42.059 -0.338 0.000 0.906 245 L HN 0.331 nan 8.230 nan 0.000 0.436 246 Y N 0.696 120.910 120.300 -0.143 0.000 2.151 246 Y HA -0.283 4.267 4.550 0.001 0.000 0.284 246 Y C 2.486 178.350 175.900 -0.059 0.000 1.166 246 Y CA 0.949 59.000 58.100 -0.081 0.000 1.163 246 Y CB -0.246 38.173 38.460 -0.068 0.000 0.974 246 Y HN 0.315 nan 8.280 nan 0.000 0.511 247 M N -0.464 119.183 119.600 0.079 0.000 2.453 247 M HA 0.472 4.953 4.480 0.001 0.000 0.239 247 M C 0.483 176.805 176.300 0.038 0.000 1.151 247 M CA -0.209 55.119 55.300 0.047 0.000 0.989 247 M CB -0.053 32.564 32.600 0.029 0.000 1.548 247 M HN -0.028 nan 8.290 nan 0.000 0.479 248 A N 1.226 124.065 122.820 0.031 0.000 2.313 248 A HA 0.225 4.546 4.320 0.001 0.000 0.261 248 A C 0.497 178.164 177.584 0.138 0.000 1.090 248 A CA -0.327 51.780 52.037 0.117 0.000 0.807 248 A CB 0.418 19.520 19.000 0.170 0.000 1.055 248 A HN 0.401 nan 8.150 nan 0.000 0.492 249 D N -0.038 120.465 120.400 0.172 0.000 2.194 249 D HA 0.049 4.690 4.640 0.001 0.000 0.204 249 D C 0.212 176.599 176.300 0.145 0.000 0.964 249 D CA 1.317 55.401 54.000 0.140 0.000 0.846 249 D CB 0.308 41.192 40.800 0.139 0.000 0.962 249 D HN 0.702 nan 8.370 nan 0.000 0.490 250 E N -0.669 119.646 120.200 0.192 0.000 2.390 250 E HA 0.513 4.863 4.350 0.001 0.000 0.277 250 E C -1.354 175.402 176.600 0.260 0.000 0.939 250 E CA -0.658 55.865 56.400 0.206 0.000 0.769 250 E CB 3.360 33.186 29.700 0.211 0.000 1.251 250 E HN -0.288 nan 8.360 nan 0.000 0.450 251 V N 2.142 122.203 119.914 0.245 0.000 2.888 251 V HA 0.655 4.775 4.120 0.001 0.000 0.309 251 V C -1.258 175.002 176.094 0.278 0.000 1.114 251 V CA -0.847 61.577 62.300 0.206 0.000 0.940 251 V CB 1.447 33.346 31.823 0.127 0.000 1.021 251 V HN 0.669 nan 8.190 nan 0.000 0.426 252 F N 1.601 121.621 119.950 0.117 0.000 2.668 252 F HA 0.867 5.395 4.527 0.001 0.000 0.309 252 F C -1.089 174.773 175.800 0.103 0.000 1.117 252 F CA -1.237 56.795 58.000 0.053 0.000 0.951 252 F CB 1.751 40.726 39.000 -0.041 0.000 1.323 252 F HN 0.351 nan 8.300 nan 0.000 0.451 253 M N 1.951 121.717 119.600 0.277 0.000 2.578 253 M HA 0.694 5.175 4.480 0.001 0.000 0.321 253 M C -0.725 175.705 176.300 0.216 0.000 1.182 253 M CA -0.720 54.700 55.300 0.200 0.000 0.965 253 M CB 2.634 35.309 32.600 0.124 0.000 1.694 253 M HN 0.846 nan 8.290 nan 0.000 0.461 254 T N -1.123 113.544 114.554 0.189 0.000 2.900 254 T HA 0.950 5.300 4.350 0.001 0.000 0.295 254 T C -0.451 174.300 174.700 0.085 0.000 1.044 254 T CA -0.758 61.397 62.100 0.092 0.000 0.995 254 T CB 2.174 71.112 68.868 0.115 0.000 1.072 254 T HN 1.041 nan 8.240 nan 0.000 0.473 255 G N 0.250 109.068 108.800 0.029 0.000 2.411 255 G HA2 0.435 4.395 3.960 0.001 0.000 0.295 255 G HA3 0.435 4.395 3.960 0.001 0.000 0.295 255 G C 0.257 175.199 174.900 0.070 0.000 1.542 255 G CA -0.151 44.998 45.100 0.082 0.000 0.814 255 G HN 0.636 nan 8.290 nan 0.000 0.557 256 T N 0.900 115.529 114.554 0.126 0.000 2.720 256 T HA -0.064 4.287 4.350 0.001 0.000 0.268 256 T C 2.670 177.379 174.700 0.015 0.000 1.037 256 T CA 2.870 65.037 62.100 0.110 0.000 1.144 256 T CB -0.219 68.725 68.868 0.127 0.000 0.864 256 T HN 0.956 nan 8.240 nan 0.000 0.444 257 A N 0.853 123.701 122.820 0.047 0.000 1.935 257 A HA 0.477 4.797 4.320 0.001 0.000 0.214 257 A C 2.484 180.130 177.584 0.103 0.000 1.178 257 A CA 1.217 53.232 52.037 -0.036 0.000 0.640 257 A CB -0.727 18.357 19.000 0.140 0.000 0.825 257 A HN 0.469 nan 8.150 nan 0.000 0.447 258 A N -1.134 121.751 122.820 0.109 0.000 2.119 258 A HA 0.221 4.541 4.320 0.001 0.000 0.216 258 A C 0.926 178.539 177.584 0.047 0.000 1.152 258 A CA 1.229 53.323 52.037 0.096 0.000 0.708 258 A CB -0.324 18.727 19.000 0.085 0.000 0.805 258 A HN 0.604 nan 8.150 nan 0.000 0.460 259 E N -2.348 117.860 120.200 0.014 0.000 3.213 259 E HA -0.246 4.104 4.350 0.001 0.000 0.374 259 E C -0.501 175.959 176.600 -0.233 0.000 1.500 259 E CA 1.511 57.866 56.400 -0.075 0.000 1.497 259 E CB -1.139 28.631 29.700 0.118 0.000 1.692 259 E HN 0.273 nan 8.360 nan 0.000 0.494 260 V N 1.421 121.210 119.914 -0.208 0.000 2.326 260 V HA 0.344 4.465 4.120 0.001 0.000 0.281 260 V C -0.415 175.623 176.094 -0.093 0.000 1.015 260 V CA -0.225 61.950 62.300 -0.209 0.000 0.823 260 V CB 1.523 33.137 31.823 -0.348 0.000 1.009 260 V HN 0.425 nan 8.190 nan 0.000 0.436 261 T N 7.868 122.421 114.554 -0.003 0.000 2.788 261 T HA 0.405 4.756 4.350 0.001 0.000 0.296 261 T C -2.653 172.093 174.700 0.077 0.000 1.009 261 T CA -1.317 60.795 62.100 0.019 0.000 0.949 261 T CB 1.759 70.645 68.868 0.030 0.000 0.946 261 T HN 0.329 nan 8.240 nan 0.000 0.453 262 P HA 0.217 nan 4.420 nan 0.000 0.268 262 P C -0.868 176.485 177.300 0.088 0.000 1.205 262 P CA -0.374 62.776 63.100 0.084 0.000 0.771 262 P CB 0.577 32.293 31.700 0.026 0.000 0.858 263 V N 2.973 122.958 119.914 0.119 0.000 2.357 263 V HA 0.147 4.267 4.120 0.001 0.000 0.284 263 V C 1.114 177.248 176.094 0.066 0.000 1.018 263 V CA 0.154 62.499 62.300 0.076 0.000 0.841 263 V CB 1.152 33.022 31.823 0.079 0.000 0.991 263 V HN 0.658 nan 8.190 nan 0.000 0.437 264 S N 3.545 119.267 115.700 0.037 0.000 2.535 264 S HA 0.390 4.860 4.470 0.001 0.000 0.214 264 S C 0.229 174.839 174.600 0.017 0.000 0.980 264 S CA -0.123 58.098 58.200 0.034 0.000 0.907 264 S CB 0.278 63.495 63.200 0.028 0.000 0.790 264 S HN 0.657 nan 8.310 nan 0.000 0.510 265 M N 0.965 120.559 119.600 -0.010 0.000 2.365 265 M HA 0.532 5.012 4.480 0.001 0.000 0.288 265 M C -2.570 173.681 176.300 -0.081 0.000 1.152 265 M CA -0.600 54.673 55.300 -0.044 0.000 0.948 265 M CB 1.777 34.332 32.600 -0.075 0.000 1.729 265 M HN 0.121 nan 8.290 nan 0.000 0.487 266 I N 4.227 124.760 120.570 -0.062 0.000 2.499 266 I HA 0.332 4.502 4.170 0.001 0.000 0.288 266 I C -0.710 175.348 176.117 -0.099 0.000 1.048 266 I CA -0.529 60.747 61.300 -0.039 0.000 1.062 266 I CB 2.020 40.100 38.000 0.134 0.000 1.238 266 I HN 0.786 nan 8.210 nan 0.000 0.426 267 D N 5.438 125.716 120.400 -0.203 0.000 2.689 267 D HA -0.240 4.401 4.640 0.001 0.000 0.237 267 D C -0.078 176.157 176.300 -0.108 0.000 1.148 267 D CA 1.151 55.042 54.000 -0.181 0.000 0.656 267 D CB -0.852 39.958 40.800 0.016 0.000 1.050 267 D HN 0.815 nan 8.370 nan 0.000 0.426 268 W N -2.089 119.178 121.300 -0.056 0.000 3.207 268 W HA -0.322 4.338 4.660 0.001 0.000 0.291 268 W C 0.764 177.224 176.519 -0.099 0.000 1.105 268 W CA 0.419 57.727 57.345 -0.063 0.000 0.612 268 W CB -2.075 27.351 29.460 -0.057 0.000 2.140 268 W HN 0.159 nan 8.180 nan 0.000 1.420 269 R N 1.655 122.127 120.500 -0.047 0.000 2.265 269 R HA 0.290 4.630 4.340 0.001 0.000 0.328 269 R C -1.962 174.305 176.300 -0.055 0.000 0.969 269 R CA -1.844 54.190 56.100 -0.111 0.000 0.832 269 R CB 0.725 30.803 30.300 -0.369 0.000 1.139 269 R HN -0.249 nan 8.270 nan 0.000 0.457 270 P HA 0.007 nan 4.420 nan 0.000 0.268 270 P C -0.376 176.939 177.300 0.025 0.000 1.204 270 P CA 0.009 63.117 63.100 0.013 0.000 0.768 270 P CB 0.828 32.543 31.700 0.025 0.000 0.842 271 I N 2.671 123.265 120.570 0.041 0.000 2.312 271 I HA 0.235 4.405 4.170 0.001 0.000 0.291 271 I C 1.714 177.870 176.117 0.065 0.000 1.031 271 I CA 0.577 61.916 61.300 0.064 0.000 1.293 271 I CB -0.390 37.656 38.000 0.078 0.000 1.403 271 I HN 0.756 nan 8.210 nan 0.000 0.484 272 G N 7.874 116.714 108.800 0.067 0.000 2.622 272 G HA2 -0.387 3.574 3.960 0.001 0.000 0.307 272 G HA3 -0.387 3.574 3.960 0.001 0.000 0.307 272 G C 1.024 175.956 174.900 0.053 0.000 1.226 272 G CA 0.698 45.838 45.100 0.066 0.000 0.997 272 G HN 0.773 nan 8.290 nan 0.000 0.551 273 K N 1.762 122.193 120.400 0.053 0.000 2.442 273 K HA 0.303 4.623 4.320 0.001 0.000 0.198 273 K C 1.820 178.445 176.600 0.041 0.000 1.042 273 K CA 1.537 57.851 56.287 0.045 0.000 0.958 273 K CB -0.237 32.289 32.500 0.044 0.000 0.766 273 K HN 2.435 nan 8.250 nan 0.000 0.474 274 G N 0.951 109.777 108.800 0.044 0.000 2.175 274 G HA2 -0.276 3.684 3.960 0.001 0.000 0.244 274 G HA3 -0.276 3.684 3.960 0.001 0.000 0.244 274 G C 0.210 175.133 174.900 0.038 0.000 0.982 274 G CA 0.485 45.609 45.100 0.039 0.000 0.641 274 G HN 0.715 nan 8.290 nan 0.000 0.527 275 T N -2.795 111.784 114.554 0.041 0.000 2.778 275 T HA 0.870 5.220 4.350 0.001 0.000 0.293 275 T C 0.384 175.109 174.700 0.042 0.000 1.144 275 T CA 0.405 62.528 62.100 0.039 0.000 1.010 275 T CB 1.512 70.402 68.868 0.037 0.000 1.325 275 T HN 1.840 nan 8.240 nan 0.000 0.515 276 A N 0.058 122.901 122.820 0.038 0.000 2.531 276 A HA 0.582 4.903 4.320 0.001 0.000 0.236 276 A C 0.883 178.488 177.584 0.034 0.000 1.062 276 A CA 0.208 52.266 52.037 0.035 0.000 0.760 276 A CB -0.807 18.206 19.000 0.022 0.000 0.995 276 A HN 1.340 nan 8.150 nan 0.000 0.501 277 G N 0.971 109.792 108.800 0.035 0.000 2.488 277 G HA2 0.544 4.504 3.960 0.001 0.000 0.318 277 G HA3 0.544 4.504 3.960 0.001 0.000 0.318 277 G C -1.254 173.651 174.900 0.008 0.000 1.188 277 G CA -0.978 44.143 45.100 0.035 0.000 0.944 277 G HN 0.478 nan 8.290 nan 0.000 0.495 278 P HA -0.116 nan 4.420 nan 0.000 0.216 278 P C 1.913 179.205 177.300 -0.015 0.000 1.150 278 P CA 0.773 63.883 63.100 0.016 0.000 0.837 278 P CB 0.201 31.928 31.700 0.045 0.000 0.786 279 V N 1.066 120.955 119.914 -0.042 0.000 2.270 279 V HA -0.202 3.918 4.120 0.001 0.000 0.245 279 V C 2.932 178.840 176.094 -0.312 0.000 1.043 279 V CA 2.328 64.529 62.300 -0.166 0.000 1.014 279 V CB -1.712 29.991 31.823 -0.200 0.000 0.645 279 V HN 0.105 nan 8.190 nan 0.000 0.447 280 A N -0.352 122.275 122.820 -0.321 0.000 1.902 280 A HA -0.134 4.187 4.320 0.001 0.000 0.217 280 A C 2.212 179.581 177.584 -0.358 0.000 1.181 280 A CA 1.668 53.366 52.037 -0.565 0.000 0.623 280 A CB -0.543 18.240 19.000 -0.362 0.000 0.818 280 A HN 0.501 nan 8.150 nan 0.000 0.443 281 L N -1.188 119.928 121.223 -0.177 0.000 2.083 281 L HA -0.170 4.170 4.340 0.001 0.000 0.209 281 L C 2.809 179.628 176.870 -0.085 0.000 1.083 281 L CA 1.717 56.499 54.840 -0.098 0.000 0.752 281 L CB -0.448 41.591 42.059 -0.034 0.000 0.899 281 L HN 0.462 nan 8.230 nan 0.000 0.433 282 R N 0.553 121.005 120.500 -0.082 0.000 2.075 282 R HA -0.128 4.212 4.340 0.001 0.000 0.232 282 R C 2.350 178.618 176.300 -0.054 0.000 1.126 282 R CA 1.166 57.251 56.100 -0.026 0.000 0.963 282 R CB -0.141 30.188 30.300 0.048 0.000 0.858 282 R HN 0.295 nan 8.270 nan 0.000 0.435 283 L N 0.293 121.412 121.223 -0.173 0.000 2.046 283 L HA -0.169 4.171 4.340 0.001 0.000 0.208 283 L C 2.898 179.685 176.870 -0.140 0.000 1.077 283 L CA 1.476 56.195 54.840 -0.202 0.000 0.747 283 L CB -0.515 41.266 42.059 -0.464 0.000 0.896 283 L HN 0.280 nan 8.230 nan 0.000 0.432 284 R N 0.545 120.940 120.500 -0.175 0.000 2.073 284 R HA -0.237 4.103 4.340 0.001 0.000 0.234 284 R C 2.233 178.547 176.300 0.023 0.000 1.134 284 R CA 1.972 58.028 56.100 -0.074 0.000 0.952 284 R CB -0.182 30.066 30.300 -0.087 0.000 0.850 284 R HN 0.410 nan 8.270 nan 0.000 0.433 285 E N -0.117 120.085 120.200 0.004 0.000 2.038 285 E HA -0.183 4.167 4.350 0.001 0.000 0.195 285 E C 1.838 178.457 176.600 0.032 0.000 1.000 285 E CA 1.951 58.365 56.400 0.024 0.000 0.803 285 E CB -0.007 29.706 29.700 0.022 0.000 0.750 285 E HN 0.241 nan 8.360 nan 0.000 0.448 286 V N 0.503 120.448 119.914 0.051 0.000 2.427 286 V HA -0.236 3.884 4.120 0.001 0.000 0.248 286 V C 2.143 178.283 176.094 0.076 0.000 1.051 286 V CA 1.994 64.346 62.300 0.086 0.000 1.048 286 V CB -0.794 31.107 31.823 0.130 0.000 0.666 286 V HN 0.421 nan 8.190 nan 0.000 0.456 287 Y N 0.562 120.814 120.300 -0.080 0.000 2.145 287 Y HA -0.222 4.328 4.550 0.001 0.000 0.286 287 Y C 2.254 178.021 175.900 -0.222 0.000 1.145 287 Y CA 1.723 59.727 58.100 -0.160 0.000 1.148 287 Y CB -0.120 38.214 38.460 -0.209 0.000 0.981 287 Y HN 0.135 nan 8.280 nan 0.000 0.507 288 L N 0.142 121.242 121.223 -0.205 0.000 2.131 288 L HA -0.194 4.147 4.340 0.001 0.000 0.210 288 L C 2.223 178.922 176.870 -0.284 0.000 1.092 288 L CA 1.559 56.202 54.840 -0.327 0.000 0.759 288 L CB -0.528 41.474 42.059 -0.094 0.000 0.903 288 L HN 0.349 nan 8.230 nan 0.000 0.435 289 E N 0.243 120.363 120.200 -0.134 0.000 2.150 289 E HA -0.165 4.186 4.350 0.001 0.000 0.193 289 E C 2.313 178.878 176.600 -0.059 0.000 0.985 289 E CA 0.998 57.361 56.400 -0.061 0.000 0.814 289 E CB -0.092 29.615 29.700 0.013 0.000 0.752 289 E HN 0.503 nan 8.360 nan 0.000 0.466 290 A N 1.480 124.254 122.820 -0.078 0.000 1.873 290 A HA -0.136 4.184 4.320 0.001 0.000 0.215 290 A C 2.554 180.078 177.584 -0.100 0.000 1.186 290 A CA 1.575 53.636 52.037 0.040 0.000 0.616 290 A CB -0.847 18.215 19.000 0.102 0.000 0.823 290 A HN 0.229 nan 8.150 nan 0.000 0.442 291 V N -1.768 117.820 119.914 -0.544 0.000 2.809 291 V HA -0.077 4.043 4.120 0.001 0.000 0.256 291 V C 1.879 177.723 176.094 -0.417 0.000 1.080 291 V CA 2.111 64.003 62.300 -0.680 0.000 1.102 291 V CB -1.657 29.222 31.823 -1.573 0.000 0.705 291 V HN 0.657 nan 8.190 nan 0.000 0.475 292 T N -2.613 111.753 114.554 -0.312 0.000 3.235 292 T HA 0.454 4.805 4.350 0.001 0.000 0.251 292 T C 1.491 176.202 174.700 0.019 0.000 1.060 292 T CA 0.459 62.495 62.100 -0.106 0.000 0.949 292 T CB -0.197 68.625 68.868 -0.077 0.000 1.020 292 T HN 1.573 nan 8.240 nan 0.000 0.564 293 G N 2.017 110.843 108.800 0.044 0.000 2.198 293 G HA2 -0.303 3.658 3.960 0.001 0.000 0.260 293 G HA3 -0.303 3.658 3.960 0.001 0.000 0.260 293 G C 0.738 175.701 174.900 0.105 0.000 1.025 293 G CA 0.261 45.444 45.100 0.138 0.000 0.769 293 G HN 0.576 nan 8.290 nan 0.000 0.507 294 R N -0.934 119.603 120.500 0.062 0.000 2.362 294 R HA 0.135 4.476 4.340 0.001 0.000 0.227 294 R C 0.501 176.825 176.300 0.040 0.000 0.905 294 R CA -0.136 55.991 56.100 0.044 0.000 1.067 294 R CB 0.298 30.613 30.300 0.026 0.000 1.078 294 R HN 0.119 nan 8.270 nan 0.000 0.516 295 R N 0.523 121.062 120.500 0.065 0.000 2.310 295 R HA 0.220 4.560 4.340 0.001 0.000 0.316 295 R C -2.296 173.986 176.300 -0.030 0.000 1.004 295 R CA -2.261 53.854 56.100 0.026 0.000 0.900 295 R CB 1.187 31.578 30.300 0.151 0.000 1.152 295 R HN -0.095 nan 8.270 nan 0.000 0.513 296 P HA -0.219 nan 4.420 nan 0.000 0.216 296 P C 1.161 178.367 177.300 -0.158 0.000 1.150 296 P CA 1.191 64.246 63.100 -0.075 0.000 0.843 296 P CB 0.364 32.020 31.700 -0.074 0.000 0.787 297 E N -0.858 119.155 120.200 -0.313 0.000 2.338 297 E HA -0.193 4.157 4.350 0.001 0.000 0.197 297 E C 0.792 177.046 176.600 -0.577 0.000 1.007 297 E CA 1.338 57.449 56.400 -0.481 0.000 0.849 297 E CB -0.948 28.349 29.700 -0.673 0.000 0.774 297 E HN 0.453 nan 8.360 nan 0.000 0.506 298 Y N 0.288 120.465 120.300 -0.206 0.000 2.531 298 Y HA 0.217 4.767 4.550 0.001 0.000 0.249 298 Y C 1.790 177.612 175.900 -0.129 0.000 1.168 298 Y CA -0.583 57.312 58.100 -0.342 0.000 1.226 298 Y CB 0.693 39.037 38.460 -0.195 0.000 1.177 298 Y HN -0.097 nan 8.280 nan 0.000 0.527 299 E N 0.542 120.769 120.200 0.045 0.000 2.209 299 E HA -0.154 4.197 4.350 0.001 0.000 0.196 299 E C 2.250 178.906 176.600 0.094 0.000 0.993 299 E CA 1.029 57.495 56.400 0.110 0.000 0.819 299 E CB -0.287 29.474 29.700 0.101 0.000 0.745 299 E HN 0.632 nan 8.360 nan 0.000 0.477 300 G N -0.231 108.571 108.800 0.003 0.000 2.498 300 G HA2 -0.205 3.755 3.960 0.001 0.000 0.219 300 G HA3 -0.205 3.755 3.960 0.001 0.000 0.219 300 G C 0.934 175.894 174.900 0.100 0.000 1.119 300 G CA 0.166 45.272 45.100 0.009 0.000 0.766 300 G HN 0.232 nan 8.290 nan 0.000 0.552 301 W N -0.235 121.052 121.300 -0.022 0.000 2.770 301 W HA 0.414 5.074 4.660 0.001 0.000 0.256 301 W C 0.092 176.477 176.519 -0.223 0.000 1.291 301 W CA -0.487 56.746 57.345 -0.187 0.000 1.396 301 W CB -0.282 29.038 29.460 -0.234 0.000 1.114 301 W HN -0.039 nan 8.180 nan 0.000 0.637 302 L N 0.178 121.460 121.223 0.099 0.000 2.325 302 L HA 0.343 4.684 4.340 0.001 0.000 0.279 302 L C 0.430 177.196 176.870 -0.172 0.000 1.054 302 L CA 0.165 54.953 54.840 -0.087 0.000 0.804 302 L CB 1.418 43.327 42.059 -0.249 0.000 1.200 302 L HN -0.421 nan 8.230 nan 0.000 0.436 303 T N 2.345 116.770 114.554 -0.214 0.000 2.864 303 T HA 0.421 4.771 4.350 0.001 0.000 0.310 303 T C -0.687 173.911 174.700 -0.169 0.000 1.040 303 T CA -0.328 61.700 62.100 -0.121 0.000 0.977 303 T CB -0.050 68.783 68.868 -0.058 0.000 0.976 303 T HN 0.110 nan 8.240 nan 0.000 0.459 304 Y N 1.930 122.254 120.300 0.039 0.000 2.377 304 Y HA 0.199 4.749 4.550 0.001 0.000 0.330 304 Y C 1.737 177.651 175.900 0.023 0.000 1.108 304 Y CA -0.667 57.455 58.100 0.037 0.000 1.308 304 Y CB 0.670 39.150 38.460 0.034 0.000 1.216 304 Y HN 0.504 nan 8.280 nan 0.000 0.518 305 V N -0.707 119.294 119.914 0.146 0.000 2.951 305 V HA 0.011 4.132 4.120 0.001 0.000 0.255 305 V C 0.455 176.599 176.094 0.083 0.000 1.088 305 V CA 0.766 63.117 62.300 0.084 0.000 1.109 305 V CB -0.424 31.430 31.823 0.051 0.000 0.724 305 V HN 0.636 nan 8.190 nan 0.000 0.471 306 N N 0.000 118.767 118.700 0.112 0.000 1.763 306 N HA 0.000 4.740 4.740 0.001 0.000 0.220 306 N CA 0.000 53.091 53.050 0.068 0.000 0.885 306 N CB 0.000 38.522 38.487 0.058 0.000 1.341 306 N HN 0.000 nan 8.380 nan 0.000 0.667