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 2ej0_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 0.000 175.913 176.000 -0.144 0.000 1.003 2 Q CA 0.000 55.737 55.803 -0.110 0.000 1.022 2 Q CB 0.000 28.694 28.738 -0.073 0.000 1.108 3 I N 2.826 123.294 120.570 -0.171 0.000 2.342 3 I HA 0.290 4.460 4.170 0.001 0.000 0.291 3 I C -0.157 175.906 176.117 -0.090 0.000 1.010 3 I CA -0.718 60.441 61.300 -0.234 0.000 1.308 3 I CB 1.104 38.881 38.000 -0.373 0.000 1.400 3 I HN 0.273 nan 8.210 nan 0.000 0.488 4 K N 6.336 126.714 120.400 -0.036 0.000 2.222 4 K HA 0.331 4.651 4.320 0.001 0.000 0.243 4 K C 0.571 177.308 176.600 0.229 0.000 1.160 4 K CA -0.142 56.196 56.287 0.085 0.000 1.090 4 K CB 0.986 33.541 32.500 0.091 0.000 1.694 4 K HN 0.744 nan 8.250 nan 0.000 0.361 5 A N 1.137 124.101 122.820 0.239 0.000 1.956 5 A HA 0.309 4.630 4.320 0.001 0.000 0.212 5 A C 1.208 178.999 177.584 0.345 0.000 1.188 5 A CA 1.170 53.437 52.037 0.384 0.000 0.675 5 A CB -0.264 18.948 19.000 0.353 0.000 0.845 5 A HN 0.707 nan 8.150 nan 0.000 0.455 6 G N -0.670 108.259 108.800 0.215 0.000 2.509 6 G HA2 -0.222 3.739 3.960 0.001 0.000 0.259 6 G HA3 -0.222 3.739 3.960 0.001 0.000 0.259 6 G C -0.041 174.954 174.900 0.158 0.000 1.169 6 G CA -0.107 45.082 45.100 0.148 0.000 0.953 6 G HN 0.739 nan 8.290 nan 0.000 0.563 7 L N 1.035 122.342 121.223 0.141 0.000 2.462 7 L HA 0.446 4.786 4.340 0.001 0.000 0.272 7 L C 0.505 177.601 176.870 0.376 0.000 1.166 7 L CA 0.122 55.096 54.840 0.224 0.000 0.880 7 L CB 0.265 42.414 42.059 0.150 0.000 1.142 7 L HN 0.365 nan 8.230 nan 0.000 0.473 8 I N 2.270 123.048 120.570 0.347 0.000 2.433 8 I HA 0.172 4.342 4.170 0.001 0.000 0.292 8 I C -0.636 175.549 176.117 0.113 0.000 1.001 8 I CA -0.561 60.906 61.300 0.278 0.000 1.119 8 I CB 1.919 40.029 38.000 0.183 0.000 1.289 8 I HN 0.602 nan 8.210 nan 0.000 0.438 9 W N 8.510 129.587 121.300 -0.371 0.000 2.419 9 W HA 0.314 4.975 4.660 0.001 0.000 0.312 9 W C -0.780 175.537 176.519 -0.336 0.000 1.323 9 W CA -0.331 56.515 57.345 -0.831 0.000 1.293 9 W CB 0.603 29.425 29.460 -1.063 0.000 1.324 9 W HN 0.249 nan 8.180 nan 0.000 0.512 10 M N 7.358 126.565 119.600 -0.655 0.000 2.043 10 M HA 0.099 4.579 4.480 0.001 0.000 0.322 10 M C 0.171 175.991 176.300 -0.800 0.000 0.962 10 M CA -0.338 54.675 55.300 -0.478 0.000 0.927 10 M CB 0.920 33.410 32.600 -0.182 0.000 1.466 10 M HN 0.513 nan 8.290 nan 0.000 0.412 11 N N 2.903 121.060 118.700 -0.905 0.000 2.698 11 N HA -0.225 4.516 4.740 0.001 0.000 0.258 11 N C 0.879 176.002 175.510 -0.645 0.000 0.978 11 N CA 1.349 54.008 53.050 -0.652 0.000 0.777 11 N CB -0.545 37.853 38.487 -0.147 0.000 0.907 11 N HN 1.184 nan 8.380 nan 0.000 0.543 12 G N -2.246 105.606 108.800 -1.581 0.000 2.278 12 G HA2 0.015 3.975 3.960 0.001 0.000 0.210 12 G HA3 0.015 3.975 3.960 0.001 0.000 0.210 12 G C -0.071 174.559 174.900 -0.450 0.000 1.000 12 G CA 0.314 45.112 45.100 -0.503 0.000 0.635 12 G HN 1.151 nan 8.290 nan 0.000 0.495 13 A N -0.528 121.839 122.820 -0.755 0.000 2.549 13 A HA 0.801 5.121 4.320 0.001 0.000 0.297 13 A C -0.844 176.521 177.584 -0.365 0.000 1.061 13 A CA -0.693 51.153 52.037 -0.318 0.000 0.690 13 A CB 0.975 19.918 19.000 -0.097 0.000 1.287 13 A HN 0.692 nan 8.150 nan 0.000 0.402 14 F N 0.916 120.859 119.950 -0.010 0.000 2.399 14 F HA 0.483 5.010 4.527 0.001 0.000 0.342 14 F C 0.796 176.604 175.800 0.014 0.000 1.106 14 F CA 0.416 58.445 58.000 0.049 0.000 1.196 14 F CB 1.698 40.766 39.000 0.114 0.000 1.163 14 F HN 0.549 nan 8.300 nan 0.000 0.547 15 V N 1.008 121.031 119.914 0.182 0.000 3.114 15 V HA 0.670 4.790 4.120 0.001 0.000 0.308 15 V C -2.986 173.183 176.094 0.125 0.000 1.168 15 V CA -3.098 59.270 62.300 0.113 0.000 1.015 15 V CB 1.905 33.756 31.823 0.047 0.000 1.050 15 V HN 0.406 nan 8.190 nan 0.000 0.433 16 P HA 0.137 nan 4.420 nan 0.000 0.268 16 P C 0.641 177.989 177.300 0.081 0.000 1.208 16 P CA 0.217 63.367 63.100 0.082 0.000 0.777 16 P CB 0.512 32.245 31.700 0.056 0.000 0.875 17 Q N 1.738 121.590 119.800 0.086 0.000 2.133 17 Q HA -0.284 4.056 4.340 0.001 0.000 0.208 17 Q C 1.418 177.448 176.000 0.050 0.000 0.991 17 Q CA 1.626 57.476 55.803 0.080 0.000 0.867 17 Q CB -0.117 28.670 28.738 0.081 0.000 0.911 17 Q HN 0.403 nan 8.270 nan 0.000 0.417 18 E N 0.287 120.511 120.200 0.039 0.000 2.209 18 E HA -0.194 4.156 4.350 0.001 0.000 0.196 18 E C 1.354 177.969 176.600 0.025 0.000 0.993 18 E CA 1.157 57.572 56.400 0.025 0.000 0.819 18 E CB 0.030 29.742 29.700 0.021 0.000 0.745 18 E HN 0.573 nan 8.360 nan 0.000 0.477 19 E N -0.084 120.136 120.200 0.034 0.000 2.474 19 E HA 0.129 4.480 4.350 0.001 0.000 0.194 19 E C 0.451 177.073 176.600 0.037 0.000 1.041 19 E CA -0.009 56.410 56.400 0.032 0.000 0.874 19 E CB 0.461 30.181 29.700 0.033 0.000 0.914 19 E HN 0.015 nan 8.360 nan 0.000 0.498 20 A N 2.364 125.209 122.820 0.041 0.000 2.990 20 A HA 0.131 4.452 4.320 0.001 0.000 0.282 20 A C -0.149 177.450 177.584 0.026 0.000 1.688 20 A CA 0.148 52.213 52.037 0.047 0.000 1.391 20 A CB -0.349 18.686 19.000 0.058 0.000 1.112 20 A HN -0.024 nan 8.150 nan 0.000 0.588 21 K N -0.096 120.327 120.400 0.038 0.000 2.400 21 K HA 0.743 5.063 4.320 0.001 0.000 0.246 21 K C -0.688 175.956 176.600 0.073 0.000 0.995 21 K CA -0.654 55.646 56.287 0.021 0.000 0.840 21 K CB 2.291 34.800 32.500 0.015 0.000 1.293 21 K HN 0.328 nan 8.250 nan 0.000 0.445 22 T N -0.571 114.017 114.554 0.057 0.000 2.883 22 T HA 0.225 4.576 4.350 0.001 0.000 0.301 22 T C -0.909 173.853 174.700 0.104 0.000 1.158 22 T CA -0.492 61.699 62.100 0.152 0.000 1.007 22 T CB 1.631 70.655 68.868 0.261 0.000 1.186 22 T HN 0.523 nan 8.240 nan 0.000 0.499 23 S N 1.085 116.868 115.700 0.137 0.000 2.558 23 S HA 0.054 4.525 4.470 0.001 0.000 0.288 23 S C 1.713 176.373 174.600 0.099 0.000 1.318 23 S CA 0.083 58.344 58.200 0.102 0.000 1.056 23 S CB 0.230 63.493 63.200 0.105 0.000 0.853 23 S HN 0.881 nan 8.310 nan 0.000 0.505 24 V N 4.312 124.271 119.914 0.075 0.000 3.510 24 V HA 0.155 4.275 4.120 0.001 0.000 0.270 24 V C 1.218 177.428 176.094 0.194 0.000 1.201 24 V CA 1.094 63.440 62.300 0.078 0.000 1.166 24 V CB -0.910 30.933 31.823 0.035 0.000 0.825 24 V HN 0.798 nan 8.190 nan 0.000 0.484 25 L N 0.475 121.790 121.223 0.153 0.000 2.628 25 L HA 0.293 4.633 4.340 0.001 0.000 0.229 25 L C 0.980 177.882 176.870 0.054 0.000 1.137 25 L CA -0.105 54.792 54.840 0.095 0.000 0.909 25 L CB -0.019 42.057 42.059 0.029 0.000 1.137 25 L HN 0.217 nan 8.230 nan 0.000 0.470 26 S N -0.432 115.370 115.700 0.170 0.000 2.537 26 S HA -0.040 4.430 4.470 0.001 0.000 0.286 26 S C 1.309 176.049 174.600 0.234 0.000 1.299 26 S CA -0.244 58.099 58.200 0.238 0.000 1.067 26 S CB 0.502 63.909 63.200 0.344 0.000 0.864 26 S HN 0.295 nan 8.310 nan 0.000 0.494 27 H N 3.392 122.541 119.070 0.132 0.000 2.321 27 H HA -0.221 4.335 4.556 0.001 0.000 0.295 27 H C 2.118 177.556 175.328 0.182 0.000 1.102 27 H CA 2.097 58.229 56.048 0.140 0.000 1.266 27 H CB -0.216 29.665 29.762 0.197 0.000 1.363 27 H HN 0.746 nan 8.280 nan 0.000 0.492 28 A N 0.557 123.616 122.820 0.399 0.000 2.070 28 A HA -0.113 4.208 4.320 0.001 0.000 0.220 28 A C 2.462 180.134 177.584 0.147 0.000 1.159 28 A CA 1.116 53.340 52.037 0.312 0.000 0.656 28 A CB -0.570 18.660 19.000 0.384 0.000 0.800 28 A HN 0.388 nan 8.150 nan 0.000 0.453 29 L N -1.290 120.000 121.223 0.112 0.000 2.313 29 L HA -0.008 4.332 4.340 0.001 0.000 0.214 29 L C 2.010 178.783 176.870 -0.161 0.000 1.119 29 L CA 1.548 56.377 54.840 -0.019 0.000 0.809 29 L CB -0.413 41.637 42.059 -0.016 0.000 0.933 29 L HN 0.541 nan 8.230 nan 0.000 0.449 30 H N -2.956 115.917 119.070 -0.329 0.000 2.557 30 H HA 0.123 4.679 4.556 0.001 0.000 0.281 30 H C 0.546 175.520 175.328 -0.590 0.000 0.990 30 H CA 0.939 56.623 56.048 -0.606 0.000 1.278 30 H CB 0.458 29.546 29.762 -1.124 0.000 1.451 30 H HN 0.356 nan 8.280 nan 0.000 0.516 31 Y N -0.408 119.914 120.300 0.036 0.000 2.641 31 Y HA 0.289 4.840 4.550 0.001 0.000 0.248 31 Y C 1.481 177.426 175.900 0.074 0.000 1.170 31 Y CA -0.005 58.098 58.100 0.005 0.000 1.201 31 Y CB 1.324 39.707 38.460 -0.129 0.000 1.232 31 Y HN 0.200 nan 8.280 nan 0.000 0.537 32 G N 1.419 110.334 108.800 0.192 0.000 2.187 32 G HA2 -0.354 3.606 3.960 0.001 0.000 0.261 32 G HA3 -0.354 3.606 3.960 0.001 0.000 0.261 32 G C 0.401 175.435 174.900 0.223 0.000 1.000 32 G CA 0.798 46.008 45.100 0.184 0.000 0.718 32 G HN 0.412 nan 8.290 nan 0.000 0.519 33 T N -0.589 114.139 114.554 0.289 0.000 4.313 33 T HA 0.582 4.933 4.350 0.001 0.000 0.272 33 T C 0.513 175.370 174.700 0.261 0.000 1.298 33 T CA 0.467 62.737 62.100 0.283 0.000 1.124 33 T CB 0.267 69.379 68.868 0.406 0.000 1.352 33 T HN 1.462 nan 8.240 nan 0.000 1.013 34 S N 0.387 116.233 115.700 0.243 0.000 2.627 34 S HA 0.857 5.327 4.470 0.001 0.000 0.283 34 S C -0.537 174.200 174.600 0.228 0.000 1.127 34 S CA -0.722 57.642 58.200 0.273 0.000 0.863 34 S CB 1.903 65.301 63.200 0.328 0.000 1.121 34 S HN 1.020 nan 8.310 nan 0.000 0.479 35 V N -0.664 119.370 119.914 0.200 0.000 2.925 35 V HA 1.007 5.128 4.120 0.001 0.000 0.311 35 V C -0.906 175.376 176.094 0.313 0.000 1.104 35 V CA -1.060 61.297 62.300 0.095 0.000 0.954 35 V CB 0.824 32.525 31.823 -0.202 0.000 1.022 35 V HN 1.428 nan 8.190 nan 0.000 0.427 36 F N -0.166 119.908 119.950 0.207 0.000 2.745 36 F HA 0.981 5.509 4.527 0.001 0.000 0.316 36 F C -0.876 175.117 175.800 0.322 0.000 1.155 36 F CA -0.712 57.496 58.000 0.346 0.000 0.937 36 F CB 1.556 40.662 39.000 0.176 0.000 1.361 36 F HN 0.582 nan 8.300 nan 0.000 0.472 37 E N -0.233 120.222 120.200 0.425 0.000 2.433 37 E HA 0.639 4.989 4.350 0.001 0.000 0.273 37 E C -1.319 175.374 176.600 0.156 0.000 0.950 37 E CA -0.998 55.517 56.400 0.192 0.000 0.796 37 E CB 2.141 31.889 29.700 0.081 0.000 1.330 37 E HN 1.041 nan 8.360 nan 0.000 0.455 38 G N 1.166 109.958 108.800 -0.014 0.000 2.702 38 G HA2 0.651 4.612 3.960 0.001 0.000 0.295 38 G HA3 0.651 4.612 3.960 0.001 0.000 0.295 38 G C -0.761 173.758 174.900 -0.635 0.000 1.446 38 G CA -0.325 44.611 45.100 -0.273 0.000 0.983 38 G HN 0.246 nan 8.290 nan 0.000 0.520 39 I N 1.840 121.849 120.570 -0.935 0.000 2.647 39 I HA 0.560 4.730 4.170 0.001 0.000 0.295 39 I C -0.489 175.203 176.117 -0.708 0.000 1.078 39 I CA -1.162 59.627 61.300 -0.852 0.000 1.048 39 I CB 2.575 40.157 38.000 -0.697 0.000 1.239 39 I HN 0.133 nan 8.210 nan 0.000 0.421 40 R N 3.204 123.439 120.500 -0.442 0.000 2.604 40 R HA 0.841 5.181 4.340 0.001 0.000 0.287 40 R C -0.913 175.227 176.300 -0.268 0.000 0.970 40 R CA -0.915 54.932 56.100 -0.423 0.000 0.946 40 R CB 2.094 32.139 30.300 -0.426 0.000 1.127 40 R HN 0.778 nan 8.270 nan 0.000 0.473 41 A N 2.864 125.474 122.820 -0.351 0.000 2.343 41 A HA 0.693 5.014 4.320 0.001 0.000 0.316 41 A C -1.501 175.925 177.584 -0.264 0.000 1.104 41 A CA -0.514 51.420 52.037 -0.171 0.000 0.768 41 A CB 0.870 19.794 19.000 -0.127 0.000 1.213 41 A HN 0.606 nan 8.150 nan 0.000 0.456 42 Y N 0.167 120.422 120.300 -0.074 0.000 2.509 42 Y HA 0.536 5.086 4.550 0.001 0.000 0.341 42 Y C 0.421 176.320 175.900 -0.001 0.000 1.038 42 Y CA -0.625 57.446 58.100 -0.049 0.000 1.089 42 Y CB 1.704 40.109 38.460 -0.090 0.000 1.241 42 Y HN 0.804 nan 8.280 nan 0.000 0.468 43 E N 1.267 121.580 120.200 0.189 0.000 2.354 43 E HA 0.425 4.775 4.350 0.001 0.000 0.269 43 E C -0.523 176.168 176.600 0.152 0.000 1.036 43 E CA -0.133 56.355 56.400 0.147 0.000 0.876 43 E CB 0.729 30.503 29.700 0.124 0.000 1.009 43 E HN 0.663 nan 8.360 nan 0.000 0.416 44 T N 0.283 114.930 114.554 0.155 0.000 2.838 44 T HA 0.646 4.996 4.350 0.001 0.000 0.292 44 T C 0.809 175.591 174.700 0.137 0.000 1.113 44 T CA -0.318 61.880 62.100 0.163 0.000 1.008 44 T CB 1.083 70.109 68.868 0.265 0.000 1.259 44 T HN 0.349 nan 8.240 nan 0.000 0.520 45 A N 0.306 123.192 122.820 0.110 0.000 2.070 45 A HA 0.061 4.381 4.320 0.001 0.000 0.220 45 A C 1.723 179.337 177.584 0.050 0.000 1.159 45 A CA 1.081 53.157 52.037 0.065 0.000 0.656 45 A CB -0.714 18.311 19.000 0.042 0.000 0.800 45 A HN 0.792 nan 8.150 nan 0.000 0.453 46 K N -0.554 119.889 120.400 0.072 0.000 2.493 46 K HA 0.401 4.721 4.320 0.001 0.000 0.207 46 K C 0.595 177.259 176.600 0.107 0.000 1.033 46 K CA 0.304 56.586 56.287 -0.009 0.000 1.161 46 K CB 0.047 32.367 32.500 -0.300 0.000 0.873 46 K HN 0.597 nan 8.250 nan 0.000 0.491 47 G N 2.004 110.892 108.800 0.147 0.000 2.685 47 G HA2 -0.178 3.783 3.960 0.001 0.000 0.387 47 G HA3 -0.178 3.783 3.960 0.001 0.000 0.387 47 G C -2.980 172.043 174.900 0.204 0.000 1.324 47 G CA -1.331 43.861 45.100 0.153 0.000 0.878 47 G HN -0.079 nan 8.290 nan 0.000 0.527 48 P HA 0.447 nan 4.420 nan 0.000 0.265 48 P C -0.179 177.175 177.300 0.091 0.000 1.193 48 P CA 1.084 64.253 63.100 0.116 0.000 0.765 48 P CB 1.053 32.806 31.700 0.089 0.000 0.823 49 A N 4.335 127.165 122.820 0.017 0.000 2.343 49 A HA 0.571 4.892 4.320 0.001 0.000 0.308 49 A C -0.420 177.138 177.584 -0.044 0.000 1.092 49 A CA -0.743 51.201 52.037 -0.154 0.000 0.751 49 A CB 0.524 19.284 19.000 -0.400 0.000 1.203 49 A HN 0.436 nan 8.150 nan 0.000 0.452 50 I N 2.116 122.648 120.570 -0.064 0.000 2.395 50 I HA 0.187 4.357 4.170 0.001 0.000 0.289 50 I C -0.427 175.717 176.117 0.045 0.000 1.023 50 I CA -0.195 61.091 61.300 -0.023 0.000 1.350 50 I CB 0.874 38.831 38.000 -0.071 0.000 1.409 50 I HN 0.671 nan 8.210 nan 0.000 0.507 51 F N 6.481 126.400 119.950 -0.052 0.000 2.424 51 F HA 0.343 4.870 4.527 0.001 0.000 0.356 51 F C 0.879 176.680 175.800 0.001 0.000 1.110 51 F CA -0.729 57.254 58.000 -0.029 0.000 1.161 51 F CB 0.038 39.033 39.000 -0.008 0.000 1.115 51 F HN 0.432 nan 8.300 nan 0.000 0.507 52 R N 4.804 124.923 120.500 -0.635 0.000 3.188 52 R HA -0.253 4.087 4.340 0.001 0.000 0.247 52 R C 0.978 177.209 176.300 -0.116 0.000 0.918 52 R CA 0.559 56.363 56.100 -0.493 0.000 0.629 52 R CB -1.784 27.996 30.300 -0.867 0.000 1.087 52 R HN 0.752 nan 8.270 nan 0.000 0.462 53 L N 1.166 122.344 121.223 -0.075 0.000 1.989 53 L HA -0.195 4.146 4.340 0.001 0.000 0.211 53 L C 2.002 178.866 176.870 -0.010 0.000 1.071 53 L CA 1.913 56.736 54.840 -0.030 0.000 0.749 53 L CB -0.200 41.823 42.059 -0.060 0.000 0.890 53 L HN 0.261 nan 8.230 nan 0.000 0.431 54 K N -0.779 119.601 120.400 -0.034 0.000 2.147 54 K HA -0.224 4.096 4.320 0.001 0.000 0.205 54 K C 2.077 178.660 176.600 -0.029 0.000 1.049 54 K CA 1.465 57.737 56.287 -0.026 0.000 0.936 54 K CB -0.119 32.365 32.500 -0.026 0.000 0.722 54 K HN 0.301 nan 8.250 nan 0.000 0.446 55 E N 0.347 120.501 120.200 -0.076 0.000 2.106 55 E HA -0.149 4.202 4.350 0.001 0.000 0.192 55 E C 1.797 178.312 176.600 -0.141 0.000 0.984 55 E CA 1.296 57.617 56.400 -0.133 0.000 0.806 55 E CB 0.037 29.593 29.700 -0.240 0.000 0.750 55 E HN 0.326 nan 8.360 nan 0.000 0.458 56 H N -0.921 118.110 119.070 -0.064 0.000 2.395 56 H HA -0.013 4.544 4.556 0.001 0.000 0.299 56 H C 2.075 177.423 175.328 0.033 0.000 1.070 56 H CA 1.483 57.510 56.048 -0.035 0.000 1.356 56 H CB 0.053 29.763 29.762 -0.086 0.000 1.401 56 H HN 0.093 nan 8.280 nan 0.000 0.524 57 V N 1.296 121.295 119.914 0.142 0.000 2.427 57 V HA -0.208 3.913 4.120 0.001 0.000 0.248 57 V C 2.591 178.872 176.094 0.311 0.000 1.051 57 V CA 1.657 64.078 62.300 0.201 0.000 1.048 57 V CB -0.364 31.524 31.823 0.108 0.000 0.666 57 V HN 0.321 nan 8.190 nan 0.000 0.456 58 K N 0.441 120.930 120.400 0.149 0.000 2.057 58 K HA -0.234 4.086 4.320 0.001 0.000 0.207 58 K C 2.376 179.071 176.600 0.158 0.000 1.049 58 K CA 1.790 58.149 56.287 0.120 0.000 0.931 58 K CB -0.164 32.351 32.500 0.026 0.000 0.714 58 K HN 0.300 nan 8.250 nan 0.000 0.440 59 R N -0.466 120.102 120.500 0.114 0.000 2.115 59 R HA -0.130 4.210 4.340 0.001 0.000 0.230 59 R C 2.172 178.558 176.300 0.144 0.000 1.111 59 R CA 1.225 57.373 56.100 0.081 0.000 0.976 59 R CB -0.312 29.998 30.300 0.017 0.000 0.870 59 R HN 0.232 nan 8.270 nan 0.000 0.445 60 F N 0.170 120.156 119.950 0.061 0.000 2.069 60 F HA -0.232 4.295 4.527 0.001 0.000 0.298 60 F C 1.396 177.181 175.800 -0.025 0.000 1.113 60 F CA 1.628 59.635 58.000 0.011 0.000 1.214 60 F CB -0.466 38.548 39.000 0.024 0.000 0.978 60 F HN 0.005 nan 8.300 nan 0.000 0.474 61 Y N 0.318 120.670 120.300 0.087 0.000 2.293 61 Y HA -0.141 4.409 4.550 0.001 0.000 0.291 61 Y C 2.318 178.182 175.900 -0.061 0.000 1.137 61 Y CA 1.796 59.885 58.100 -0.020 0.000 1.202 61 Y CB -1.114 37.383 38.460 0.062 0.000 0.990 61 Y HN 0.182 nan 8.280 nan 0.000 0.537 62 N N -0.864 117.897 118.700 0.103 0.000 2.142 62 N HA -0.162 4.578 4.740 0.001 0.000 0.186 62 N C 1.877 177.364 175.510 -0.037 0.000 1.023 62 N CA 1.187 54.254 53.050 0.028 0.000 0.852 62 N CB -0.129 38.370 38.487 0.021 0.000 0.998 62 N HN 0.135 nan 8.380 nan 0.000 0.424 63 S N 0.627 116.280 115.700 -0.079 0.000 2.368 63 S HA -0.108 4.362 4.470 0.001 0.000 0.225 63 S C 2.117 176.628 174.600 -0.147 0.000 1.030 63 S CA 1.034 59.163 58.200 -0.117 0.000 0.999 63 S CB -0.255 62.854 63.200 -0.152 0.000 0.844 63 S HN 0.451 nan 8.310 nan 0.000 0.459 64 A N 1.820 124.505 122.820 -0.225 0.000 1.902 64 A HA -0.163 4.157 4.320 0.001 0.000 0.217 64 A C 2.015 179.532 177.584 -0.111 0.000 1.181 64 A CA 1.889 53.797 52.037 -0.215 0.000 0.623 64 A CB -0.571 18.238 19.000 -0.319 0.000 0.818 64 A HN 0.490 nan 8.150 nan 0.000 0.443 65 K N -0.137 120.221 120.400 -0.069 0.000 2.103 65 K HA -0.121 4.199 4.320 0.001 0.000 0.207 65 K C 1.720 178.295 176.600 -0.041 0.000 1.048 65 K CA 1.655 57.921 56.287 -0.035 0.000 0.930 65 K CB -0.292 32.202 32.500 -0.009 0.000 0.716 65 K HN 0.250 nan 8.250 nan 0.000 0.444 66 V N 1.549 121.433 119.914 -0.050 0.000 2.407 66 V HA -0.222 3.898 4.120 0.001 0.000 0.248 66 V C 2.053 178.120 176.094 -0.045 0.000 1.055 66 V CA 1.500 63.772 62.300 -0.047 0.000 1.049 66 V CB -0.300 31.490 31.823 -0.054 0.000 0.662 66 V HN 0.351 nan 8.190 nan 0.000 0.455 67 L N -0.812 120.381 121.223 -0.050 0.000 2.592 67 L HA 0.229 4.569 4.340 0.001 0.000 0.227 67 L C 1.084 177.927 176.870 -0.045 0.000 1.127 67 L CA 0.103 54.919 54.840 -0.040 0.000 0.884 67 L CB -0.224 41.816 42.059 -0.033 0.000 1.065 67 L HN 0.308 nan 8.230 nan 0.000 0.457 68 R N 0.052 120.524 120.500 -0.046 0.000 3.641 68 R HA -0.190 4.151 4.340 0.001 0.000 0.286 68 R C 0.275 176.543 176.300 -0.054 0.000 1.153 68 R CA 0.557 56.631 56.100 -0.044 0.000 0.775 68 R CB -1.694 28.583 30.300 -0.039 0.000 1.215 68 R HN 0.372 nan 8.270 nan 0.000 0.474 69 M N 1.396 120.956 119.600 -0.066 0.000 2.180 69 M HA 0.144 4.624 4.480 0.001 0.000 0.358 69 M C -0.117 176.136 176.300 -0.077 0.000 1.233 69 M CA 0.036 55.287 55.300 -0.081 0.000 1.114 69 M CB 0.869 33.410 32.600 -0.099 0.000 1.594 69 M HN -0.078 nan 8.290 nan 0.000 0.467 70 E N 6.289 126.448 120.200 -0.068 0.000 2.146 70 E HA 0.345 4.695 4.350 0.001 0.000 0.282 70 E C -0.881 175.694 176.600 -0.042 0.000 0.989 70 E CA -0.206 56.168 56.400 -0.044 0.000 0.799 70 E CB 1.239 30.915 29.700 -0.041 0.000 1.088 70 E HN 0.729 nan 8.360 nan 0.000 0.397 71 I N 5.738 126.301 120.570 -0.011 0.000 2.291 71 I HA 0.108 4.279 4.170 0.001 0.000 0.290 71 I C -1.365 174.831 176.117 0.131 0.000 1.050 71 I CA -1.726 59.602 61.300 0.046 0.000 1.245 71 I CB 1.102 39.048 38.000 -0.091 0.000 1.405 71 I HN 0.135 nan 8.210 nan 0.000 0.478 72 P HA 0.063 nan 4.420 nan 0.000 0.279 72 P C -0.677 176.328 177.300 -0.493 0.000 1.451 72 P CA 0.550 63.516 63.100 -0.223 0.000 0.783 72 P CB -0.405 31.076 31.700 -0.365 0.000 1.490 73 F N -0.121 119.944 119.950 0.191 0.000 2.601 73 F HA 0.557 5.085 4.527 0.001 0.000 0.309 73 F C 0.306 176.265 175.800 0.265 0.000 1.089 73 F CA -1.384 56.753 58.000 0.229 0.000 0.940 73 F CB 1.281 40.460 39.000 0.299 0.000 1.273 73 F HN -0.192 nan 8.300 nan 0.000 0.450 74 A N 2.803 125.825 122.820 0.336 0.000 2.371 74 A HA 0.483 4.803 4.320 0.001 0.000 0.257 74 A C -1.923 175.740 177.584 0.131 0.000 1.089 74 A CA -1.247 50.890 52.037 0.165 0.000 0.794 74 A CB 0.195 19.247 19.000 0.086 0.000 1.029 74 A HN 0.612 nan 8.150 nan 0.000 0.488 75 P HA -0.256 nan 4.420 nan 0.000 0.217 75 P C 1.228 178.500 177.300 -0.046 0.000 1.151 75 P CA 1.982 64.951 63.100 -0.218 0.000 0.849 75 P CB 0.084 31.504 31.700 -0.466 0.000 0.787 76 E N 0.240 120.418 120.200 -0.037 0.000 2.110 76 E HA -0.227 4.123 4.350 0.001 0.000 0.193 76 E C 1.659 178.255 176.600 -0.008 0.000 0.988 76 E CA 1.152 57.540 56.400 -0.019 0.000 0.804 76 E CB -0.916 28.781 29.700 -0.005 0.000 0.745 76 E HN 0.349 nan 8.360 nan 0.000 0.458 77 E N 0.760 120.984 120.200 0.040 0.000 2.072 77 E HA -0.112 4.238 4.350 0.001 0.000 0.191 77 E C 2.225 178.726 176.600 -0.164 0.000 0.985 77 E CA 0.638 57.058 56.400 0.033 0.000 0.801 77 E CB -0.022 29.808 29.700 0.217 0.000 0.750 77 E HN 0.206 nan 8.360 nan 0.000 0.452 78 L N 1.380 122.514 121.223 -0.148 0.000 2.083 78 L HA -0.173 4.167 4.340 0.001 0.000 0.209 78 L C 2.131 178.808 176.870 -0.322 0.000 1.083 78 L CA 1.720 56.350 54.840 -0.349 0.000 0.752 78 L CB -0.858 41.144 42.059 -0.094 0.000 0.899 78 L HN 0.199 nan 8.230 nan 0.000 0.433 79 E N -0.494 119.605 120.200 -0.169 0.000 2.077 79 E HA -0.269 4.081 4.350 0.001 0.000 0.193 79 E C 1.979 178.490 176.600 -0.148 0.000 0.989 79 E CA 1.163 57.478 56.400 -0.140 0.000 0.800 79 E CB 0.070 29.723 29.700 -0.079 0.000 0.746 79 E HN 0.312 nan 8.360 nan 0.000 0.452 80 E N 1.035 121.153 120.200 -0.137 0.000 2.106 80 E HA -0.136 4.215 4.350 0.001 0.000 0.192 80 E C 1.812 178.326 176.600 -0.144 0.000 0.984 80 E CA 1.358 57.700 56.400 -0.097 0.000 0.806 80 E CB -0.215 29.458 29.700 -0.044 0.000 0.750 80 E HN 0.224 nan 8.360 nan 0.000 0.458 81 A N 0.470 123.075 122.820 -0.358 0.000 1.933 81 A HA -0.108 4.213 4.320 0.001 0.000 0.218 81 A C 2.355 179.771 177.584 -0.280 0.000 1.175 81 A CA 1.416 53.115 52.037 -0.563 0.000 0.628 81 A CB -0.648 17.346 19.000 -1.678 0.000 0.814 81 A HN 0.359 nan 8.150 nan 0.000 0.444 82 I N -0.595 119.799 120.570 -0.294 0.000 2.315 82 I HA -0.260 3.911 4.170 0.001 0.000 0.248 82 I C 2.409 178.474 176.117 -0.087 0.000 1.117 82 I CA 1.478 62.663 61.300 -0.192 0.000 1.404 82 I CB -0.233 37.631 38.000 -0.226 0.000 1.071 82 I HN 0.303 nan 8.210 nan 0.000 0.419 83 K N 0.713 121.070 120.400 -0.073 0.000 2.057 83 K HA -0.154 4.167 4.320 0.001 0.000 0.206 83 K C 1.952 178.550 176.600 -0.003 0.000 1.050 83 K CA 1.290 57.558 56.287 -0.031 0.000 0.935 83 K CB -0.137 32.348 32.500 -0.025 0.000 0.715 83 K HN 0.353 nan 8.250 nan 0.000 0.439 84 E N 0.663 120.879 120.200 0.027 0.000 2.153 84 E HA -0.153 4.197 4.350 0.001 0.000 0.194 84 E C 2.002 178.583 176.600 -0.031 0.000 0.988 84 E CA 0.825 57.231 56.400 0.010 0.000 0.811 84 E CB -0.051 29.728 29.700 0.133 0.000 0.746 84 E HN 0.043 nan 8.360 nan 0.000 0.466 85 V N 0.701 120.738 119.914 0.205 0.000 2.626 85 V HA -0.179 3.942 4.120 0.001 0.000 0.252 85 V C 1.981 178.141 176.094 0.110 0.000 1.067 85 V CA 1.143 63.599 62.300 0.260 0.000 1.081 85 V CB 0.104 32.120 31.823 0.322 0.000 0.686 85 V HN 0.084 nan 8.190 nan 0.000 0.468 86 V N 0.084 120.045 119.914 0.078 0.000 2.346 86 V HA -0.138 3.983 4.120 0.001 0.000 0.244 86 V C 2.548 178.638 176.094 -0.006 0.000 1.037 86 V CA 2.154 64.520 62.300 0.109 0.000 1.029 86 V CB -0.703 31.165 31.823 0.074 0.000 0.663 86 V HN 0.470 nan 8.190 nan 0.000 0.454 87 R N 0.171 120.643 120.500 -0.047 0.000 2.070 87 R HA -0.121 4.219 4.340 0.001 0.000 0.232 87 R C 2.507 178.714 176.300 -0.156 0.000 1.138 87 R CA 1.648 57.699 56.100 -0.081 0.000 0.936 87 R CB -0.438 29.818 30.300 -0.073 0.000 0.839 87 R HN 0.393 nan 8.270 nan 0.000 0.429 88 R N 0.371 120.729 120.500 -0.238 0.000 2.159 88 R HA -0.063 4.277 4.340 0.001 0.000 0.237 88 R C 1.336 177.470 176.300 -0.277 0.000 1.131 88 R CA 1.136 57.055 56.100 -0.301 0.000 0.982 88 R CB -0.154 29.823 30.300 -0.538 0.000 0.868 88 R HN 0.293 nan 8.270 nan 0.000 0.453 89 N N -0.580 117.910 118.700 -0.350 0.000 2.280 89 N HA 0.034 4.775 4.740 0.001 0.000 0.192 89 N C 0.541 175.713 175.510 -0.563 0.000 1.109 89 N CA 0.836 53.557 53.050 -0.548 0.000 0.855 89 N CB 1.327 39.223 38.487 -0.985 0.000 0.974 89 N HN 0.321 nan 8.380 nan 0.000 0.482 90 G N 1.131 109.743 108.800 -0.313 0.000 2.249 90 G HA2 -0.307 3.654 3.960 0.001 0.000 0.273 90 G HA3 -0.307 3.654 3.960 0.001 0.000 0.273 90 G C -0.225 174.646 174.900 -0.049 0.000 1.036 90 G CA 0.091 45.101 45.100 -0.150 0.000 0.824 90 G HN 0.436 nan 8.290 nan 0.000 0.504 91 Y N -1.097 119.212 120.300 0.015 0.000 2.314 91 Y HA 0.505 5.056 4.550 0.001 0.000 0.334 91 Y C 1.828 177.741 175.900 0.022 0.000 1.266 91 Y CA -0.631 57.484 58.100 0.025 0.000 1.391 91 Y CB 0.772 39.242 38.460 0.017 0.000 1.306 91 Y HN 0.100 nan 8.280 nan 0.000 0.558 92 R N 0.061 120.693 120.500 0.219 0.000 2.580 92 R HA 0.104 4.445 4.340 0.001 0.000 0.161 92 R C -0.124 176.220 176.300 0.073 0.000 1.659 92 R CA -0.067 56.109 56.100 0.127 0.000 1.325 92 R CB -0.006 30.363 30.300 0.115 0.000 1.254 92 R HN 0.439 nan 8.270 nan 0.000 0.474 93 S N 1.641 117.377 115.700 0.059 0.000 2.411 93 S HA 0.377 4.847 4.470 0.001 0.000 0.294 93 S C -0.269 174.311 174.600 -0.033 0.000 1.115 93 S CA -0.709 57.485 58.200 -0.011 0.000 1.071 93 S CB -0.153 63.090 63.200 0.073 0.000 0.967 93 S HN 0.445 nan 8.310 nan 0.000 0.488 94 C N 3.811 123.018 119.300 -0.155 0.000 3.318 94 C HA 0.722 5.183 4.460 0.001 0.000 0.322 94 C C -1.342 173.486 174.990 -0.270 0.000 1.398 94 C CA -1.257 57.631 59.018 -0.217 0.000 1.339 94 C CB 0.307 27.784 27.740 -0.439 0.000 1.668 94 C HN 0.822 nan 8.230 nan 0.000 0.462 95 Y N 0.919 120.922 120.300 -0.495 0.000 2.352 95 Y HA 0.808 5.358 4.550 0.001 0.000 0.339 95 Y C -0.486 174.921 175.900 -0.822 0.000 0.992 95 Y CA -0.965 56.766 58.100 -0.615 0.000 1.100 95 Y CB 0.947 39.113 38.460 -0.491 0.000 1.192 95 Y HN 0.727 nan 8.280 nan 0.000 0.458 96 I N 6.546 126.525 120.570 -0.985 0.000 2.404 96 I HA 0.431 4.601 4.170 0.001 0.000 0.293 96 I C -0.671 174.982 176.117 -0.773 0.000 0.992 96 I CA -0.918 59.944 61.300 -0.729 0.000 1.149 96 I CB 1.603 39.310 38.000 -0.487 0.000 1.315 96 I HN 0.448 nan 8.210 nan 0.000 0.446 97 R N 8.156 128.369 120.500 -0.478 0.000 2.363 97 R HA 0.507 4.848 4.340 0.001 0.000 0.297 97 R C -2.908 173.353 176.300 -0.065 0.000 1.208 97 R CA -2.130 53.851 56.100 -0.198 0.000 1.121 97 R CB 0.728 31.047 30.300 0.031 0.000 1.124 97 R HN 0.180 nan 8.270 nan 0.000 0.561 98 P HA 0.268 nan 4.420 nan 0.000 0.279 98 P C -1.419 175.969 177.300 0.147 0.000 1.239 98 P CA -0.558 62.431 63.100 -0.185 0.000 0.789 98 P CB 1.158 32.455 31.700 -0.671 0.000 0.933 99 L N 2.295 123.718 121.223 0.334 0.000 2.493 99 L HA 0.774 5.114 4.340 0.001 0.000 0.265 99 L C -1.548 175.753 176.870 0.719 0.000 0.954 99 L CA -0.598 54.586 54.840 0.572 0.000 0.844 99 L CB 1.734 44.024 42.059 0.385 0.000 1.302 99 L HN 0.412 nan 8.230 nan 0.000 0.405 100 A N 4.147 127.347 122.820 0.634 0.000 2.330 100 A HA 0.853 5.174 4.320 0.001 0.000 0.313 100 A C -1.706 176.124 177.584 0.410 0.000 1.124 100 A CA -0.342 51.930 52.037 0.392 0.000 0.774 100 A CB 0.616 19.641 19.000 0.042 0.000 1.198 100 A HN 0.934 nan 8.150 nan 0.000 0.465 101 W N 2.042 123.406 121.300 0.106 0.000 3.033 101 W HA 0.728 5.388 4.660 0.001 0.000 0.336 101 W C -1.090 175.477 176.519 0.080 0.000 1.173 101 W CA -1.298 56.105 57.345 0.097 0.000 1.185 101 W CB 1.018 30.545 29.460 0.112 0.000 1.425 101 W HN 0.352 nan 8.180 nan 0.000 0.536 102 M N 3.676 123.395 119.600 0.198 0.000 2.188 102 M HA 0.295 4.776 4.480 0.001 0.000 0.354 102 M C 0.693 177.090 176.300 0.163 0.000 1.342 102 M CA -0.145 55.194 55.300 0.066 0.000 1.117 102 M CB 0.048 32.679 32.600 0.052 0.000 1.670 102 M HN 0.867 nan 8.290 nan 0.000 0.466 103 G N 2.185 110.984 108.800 -0.002 0.000 2.489 103 G HA2 0.466 4.426 3.960 0.001 0.000 0.271 103 G HA3 0.466 4.426 3.960 0.001 0.000 0.271 103 G C 0.169 175.156 174.900 0.145 0.000 1.427 103 G CA -0.084 45.064 45.100 0.080 0.000 1.057 103 G HN 0.815 nan 8.290 nan 0.000 0.532 104 A N -1.079 121.810 122.820 0.115 0.000 2.640 104 A HA 0.322 4.643 4.320 0.001 0.000 0.282 104 A C 1.720 179.338 177.584 0.055 0.000 1.357 104 A CA -0.018 52.074 52.037 0.091 0.000 0.946 104 A CB -0.167 18.885 19.000 0.088 0.000 1.065 104 A HN 0.568 nan 8.150 nan 0.000 0.541 105 K N -0.069 120.357 120.400 0.043 0.000 2.148 105 K HA 0.181 4.502 4.320 0.001 0.000 0.204 105 K C 0.707 177.327 176.600 0.034 0.000 1.050 105 K CA 1.193 57.495 56.287 0.024 0.000 0.942 105 K CB -0.022 32.479 32.500 0.002 0.000 0.724 105 K HN 0.582 nan 8.250 nan 0.000 0.446 106 A N -0.180 122.679 122.820 0.064 0.000 2.586 106 A HA 0.493 4.813 4.320 0.001 0.000 0.290 106 A C -1.039 176.635 177.584 0.151 0.000 1.086 106 A CA -0.708 51.375 52.037 0.077 0.000 0.665 106 A CB 0.806 19.844 19.000 0.063 0.000 1.279 106 A HN 0.084 nan 8.150 nan 0.000 0.423 107 L N 1.346 122.645 121.223 0.126 0.000 3.218 107 L HA 0.347 4.687 4.340 0.001 0.000 0.279 107 L C 1.049 178.055 176.870 0.228 0.000 1.287 107 L CA -0.061 54.886 54.840 0.179 0.000 1.024 107 L CB 0.574 42.616 42.059 -0.027 0.000 1.409 107 L HN 0.892 nan 8.230 nan 0.000 0.580 108 G N -0.503 108.402 108.800 0.176 0.000 2.503 108 G HA2 0.237 4.197 3.960 0.001 0.000 0.257 108 G HA3 0.237 4.197 3.960 0.001 0.000 0.257 108 G C 0.895 175.818 174.900 0.038 0.000 1.214 108 G CA -0.316 44.828 45.100 0.073 0.000 0.839 108 G HN -0.068 nan 8.290 nan 0.000 0.559 109 V N 1.618 121.413 119.914 -0.198 0.000 2.490 109 V HA -0.100 4.020 4.120 0.001 0.000 0.250 109 V C 1.415 177.496 176.094 -0.022 0.000 1.061 109 V CA 1.415 63.463 62.300 -0.420 0.000 1.064 109 V CB -0.546 31.018 31.823 -0.432 0.000 0.670 109 V HN 0.700 nan 8.190 nan 0.000 0.461 110 N N 1.083 119.785 118.700 0.002 0.000 2.452 110 N HA 0.056 4.797 4.740 0.001 0.000 0.266 110 N C -1.441 174.051 175.510 -0.030 0.000 1.209 110 N CA -1.400 51.646 53.050 -0.006 0.000 0.929 110 N CB 1.428 39.901 38.487 -0.022 0.000 1.063 110 N HN 0.283 nan 8.380 nan 0.000 0.472 111 P HA -0.002 nan 4.420 nan 0.000 0.240 111 P C 1.531 178.687 177.300 -0.240 0.000 1.190 111 P CA 0.339 63.180 63.100 -0.432 0.000 0.781 111 P CB 0.500 31.960 31.700 -0.399 0.000 0.931 112 L N 0.362 121.506 121.223 -0.131 0.000 2.043 112 L HA -0.129 4.212 4.340 0.001 0.000 0.212 112 L C -0.288 176.531 176.870 -0.085 0.000 1.075 112 L CA 2.130 56.914 54.840 -0.093 0.000 0.752 112 L CB -2.505 39.517 42.059 -0.062 0.000 0.891 112 L HN 0.068 nan 8.230 nan 0.000 0.432 113 P HA -0.109 nan 4.420 nan 0.000 0.225 113 P C 0.651 177.914 177.300 -0.062 0.000 1.148 113 P CA 1.141 64.209 63.100 -0.053 0.000 0.779 113 P CB -0.084 31.598 31.700 -0.030 0.000 0.780 114 N N -1.818 116.823 118.700 -0.099 0.000 2.412 114 N HA -0.019 4.722 4.740 0.001 0.000 0.184 114 N C 0.460 175.911 175.510 -0.099 0.000 1.101 114 N CA 0.224 53.216 53.050 -0.096 0.000 0.881 114 N CB -0.571 37.831 38.487 -0.141 0.000 0.969 114 N HN 0.095 nan 8.380 nan 0.000 0.459 115 N N 1.924 120.565 118.700 -0.098 0.000 2.416 115 N HA 0.071 4.812 4.740 0.001 0.000 0.246 115 N C -2.263 173.196 175.510 -0.084 0.000 1.260 115 N CA -0.462 52.533 53.050 -0.092 0.000 0.897 115 N CB 0.367 38.807 38.487 -0.079 0.000 1.110 115 N HN 0.163 nan 8.380 nan 0.000 0.439 116 P HA 0.215 nan 4.420 nan 0.000 0.278 116 P C -1.015 176.209 177.300 -0.126 0.000 1.258 116 P CA -0.503 62.539 63.100 -0.098 0.000 0.811 116 P CB 0.685 32.326 31.700 -0.099 0.000 1.063 117 A N 1.541 124.284 122.820 -0.127 0.000 2.366 117 A HA 0.181 4.501 4.320 0.001 0.000 0.249 117 A C 0.395 177.821 177.584 -0.264 0.000 1.084 117 A CA -0.301 51.621 52.037 -0.193 0.000 0.794 117 A CB -0.274 18.641 19.000 -0.141 0.000 1.034 117 A HN 0.562 nan 8.150 nan 0.000 0.491 118 E N -0.243 119.603 120.200 -0.590 0.000 2.319 118 E HA 0.514 4.864 4.350 0.001 0.000 0.268 118 E C -1.012 175.155 176.600 -0.722 0.000 1.050 118 E CA -0.529 55.397 56.400 -0.790 0.000 0.878 118 E CB 1.524 30.382 29.700 -1.404 0.000 1.066 118 E HN 0.357 nan 8.360 nan 0.000 0.406 119 V N 2.244 121.981 119.914 -0.294 0.000 2.925 119 V HA 0.519 4.639 4.120 0.001 0.000 0.311 119 V C -0.552 175.697 176.094 0.258 0.000 1.104 119 V CA -0.948 61.423 62.300 0.119 0.000 0.954 119 V CB 1.565 33.558 31.823 0.283 0.000 1.022 119 V HN 0.758 nan 8.190 nan 0.000 0.427 120 M N 3.413 123.309 119.600 0.495 0.000 2.569 120 M HA 0.926 5.407 4.480 0.001 0.000 0.279 120 M C -2.025 174.480 176.300 0.342 0.000 1.253 120 M CA -0.572 54.986 55.300 0.431 0.000 0.867 120 M CB 2.289 35.143 32.600 0.422 0.000 1.727 120 M HN 0.183 nan 8.290 nan 0.000 0.467 121 V N 1.916 122.002 119.914 0.287 0.000 2.525 121 V HA 0.984 5.104 4.120 0.001 0.000 0.299 121 V C -0.567 175.608 176.094 0.136 0.000 1.034 121 V CA -0.207 62.151 62.300 0.097 0.000 0.863 121 V CB 1.106 32.873 31.823 -0.093 0.000 0.999 121 V HN 1.209 nan 8.190 nan 0.000 0.423 122 A N 3.758 126.647 122.820 0.115 0.000 2.423 122 A HA 1.081 5.401 4.320 0.001 0.000 0.304 122 A C -0.430 177.188 177.584 0.057 0.000 1.104 122 A CA -0.201 51.949 52.037 0.188 0.000 0.757 122 A CB 2.114 21.286 19.000 0.287 0.000 1.313 122 A HN 1.670 nan 8.150 nan 0.000 0.423 123 A N -0.241 122.671 122.820 0.153 0.000 2.594 123 A HA 0.861 5.181 4.320 0.001 0.000 0.295 123 A C -1.469 176.181 177.584 0.109 0.000 1.071 123 A CA -0.341 51.629 52.037 -0.112 0.000 0.685 123 A CB 0.809 19.799 19.000 -0.016 0.000 1.285 123 A HN 2.011 nan 8.150 nan 0.000 0.405 124 W N 0.285 121.490 121.300 -0.158 0.000 3.118 124 W HA 0.728 5.389 4.660 0.001 0.000 0.328 124 W C -0.452 175.775 176.519 -0.488 0.000 1.239 124 W CA -0.683 56.484 57.345 -0.298 0.000 1.176 124 W CB 0.582 30.020 29.460 -0.037 0.000 1.433 124 W HN 0.910 nan 8.180 nan 0.000 0.562 125 E N 2.122 122.193 120.200 -0.216 0.000 2.442 125 E HA -0.067 4.283 4.350 0.001 0.000 0.262 125 E C -0.996 175.686 176.600 0.137 0.000 1.004 125 E CA -0.131 56.202 56.400 -0.112 0.000 0.928 125 E CB 0.701 30.422 29.700 0.034 0.000 0.937 125 E HN 0.589 nan 8.360 nan 0.000 0.446 126 W N 4.874 126.131 121.300 -0.072 0.000 2.475 126 W HA 0.470 5.131 4.660 0.001 0.000 0.320 126 W C -0.740 175.771 176.519 -0.013 0.000 1.022 126 W CA -0.717 56.613 57.345 -0.025 0.000 1.240 126 W CB 1.382 30.788 29.460 -0.090 0.000 1.328 126 W HN 0.717 nan 8.180 nan 0.000 0.439 127 G N 3.828 112.442 108.800 -0.310 0.000 2.334 127 G HA2 0.374 4.335 3.960 0.001 0.000 0.261 127 G HA3 0.374 4.335 3.960 0.001 0.000 0.261 127 G C -0.159 174.762 174.900 0.036 0.000 1.257 127 G CA -0.278 44.743 45.100 -0.131 0.000 0.935 127 G HN 0.705 nan 8.290 nan 0.000 0.480 128 A N 2.969 125.890 122.820 0.168 0.000 2.440 128 A HA 0.431 4.751 4.320 0.001 0.000 0.251 128 A C -0.460 177.269 177.584 0.242 0.000 1.089 128 A CA -0.428 51.763 52.037 0.257 0.000 0.779 128 A CB 0.239 19.357 19.000 0.196 0.000 1.022 128 A HN 0.835 nan 8.150 nan 0.000 0.492 129 Y N 3.077 123.471 120.300 0.156 0.000 2.477 129 Y HA 0.424 4.975 4.550 0.001 0.000 0.349 129 Y C -0.008 175.945 175.900 0.087 0.000 0.977 129 Y CA -0.513 57.650 58.100 0.105 0.000 1.214 129 Y CB 0.671 39.208 38.460 0.129 0.000 1.124 129 Y HN 0.484 nan 8.280 nan 0.000 0.521 130 L N 6.036 127.088 121.223 -0.285 0.000 2.728 130 L HA 0.376 4.716 4.340 0.001 0.000 0.238 130 L C 1.203 177.797 176.870 -0.460 0.000 1.143 130 L CA 0.251 54.926 54.840 -0.275 0.000 0.937 130 L CB -0.001 41.989 42.059 -0.116 0.000 1.225 130 L HN 0.763 nan 8.230 nan 0.000 0.507 131 G N -0.023 108.191 108.800 -0.977 0.000 2.543 131 G HA2 0.486 4.446 3.960 0.001 0.000 0.267 131 G HA3 0.486 4.446 3.960 0.001 0.000 0.267 131 G C 0.467 174.985 174.900 -0.637 0.000 1.406 131 G CA 0.416 45.080 45.100 -0.727 0.000 1.048 131 G HN 0.318 nan 8.290 nan 0.000 0.548 132 E N -2.846 117.272 120.200 -0.136 0.000 2.552 132 E HA 0.048 4.398 4.350 0.001 0.000 0.189 132 E C 1.346 178.053 176.600 0.178 0.000 0.970 132 E CA 0.249 56.710 56.400 0.102 0.000 1.571 132 E CB -0.176 29.540 29.700 0.026 0.000 2.223 132 E HN 0.436 nan 8.360 nan 0.000 1.018 133 E N 1.548 121.832 120.200 0.140 0.000 2.038 133 E HA -0.210 4.140 4.350 0.001 0.000 0.195 133 E C 1.997 178.673 176.600 0.127 0.000 1.000 133 E CA 1.780 58.248 56.400 0.113 0.000 0.803 133 E CB -0.174 29.576 29.700 0.083 0.000 0.750 133 E HN 0.400 nan 8.360 nan 0.000 0.448 134 A N 0.877 123.801 122.820 0.173 0.000 1.902 134 A HA -0.154 4.167 4.320 0.001 0.000 0.217 134 A C 2.516 180.135 177.584 0.058 0.000 1.181 134 A CA 1.313 53.405 52.037 0.093 0.000 0.623 134 A CB -0.695 18.336 19.000 0.051 0.000 0.818 134 A HN 0.127 nan 8.150 nan 0.000 0.443 135 V N -0.022 119.951 119.914 0.098 0.000 2.343 135 V HA -0.252 3.868 4.120 0.001 0.000 0.247 135 V C 2.621 178.754 176.094 0.064 0.000 1.051 135 V CA 2.256 64.592 62.300 0.060 0.000 1.036 135 V CB -0.781 31.123 31.823 0.134 0.000 0.654 135 V HN 0.532 nan 8.190 nan 0.000 0.451 136 R N -0.135 120.416 120.500 0.085 0.000 2.148 136 R HA -0.111 4.230 4.340 0.001 0.000 0.223 136 R C 2.359 178.689 176.300 0.050 0.000 1.088 136 R CA 1.058 57.195 56.100 0.061 0.000 0.985 136 R CB -0.241 30.096 30.300 0.062 0.000 0.880 136 R HN 0.453 nan 8.270 nan 0.000 0.451 137 K N 0.584 121.014 120.400 0.051 0.000 2.155 137 K HA -0.052 4.268 4.320 0.001 0.000 0.203 137 K C 0.352 176.972 176.600 0.034 0.000 1.052 137 K CA 1.051 57.362 56.287 0.042 0.000 0.948 137 K CB 0.081 32.605 32.500 0.041 0.000 0.728 137 K HN 0.252 nan 8.250 nan 0.000 0.448 138 G N -0.221 108.597 108.800 0.030 0.000 2.712 138 G HA2 -0.049 3.911 3.960 0.001 0.000 0.686 138 G HA3 -0.049 3.911 3.960 0.001 0.000 0.686 138 G C -0.603 174.303 174.900 0.010 0.000 1.321 138 G CA -0.445 44.670 45.100 0.025 0.000 0.813 138 G HN 0.466 nan 8.290 nan 0.000 0.599 139 A N 1.397 124.221 122.820 0.007 0.000 2.322 139 A HA 0.813 5.134 4.320 0.001 0.000 0.269 139 A C 0.788 178.353 177.584 -0.032 0.000 1.094 139 A CA -0.060 51.970 52.037 -0.011 0.000 0.807 139 A CB 0.572 19.572 19.000 -0.001 0.000 1.047 139 A HN 0.862 nan 8.150 nan 0.000 0.487 140 R N 0.956 121.415 120.500 -0.069 0.000 2.338 140 R HA 0.545 4.885 4.340 0.001 0.000 0.317 140 R C -1.483 174.724 176.300 -0.156 0.000 0.968 140 R CA -0.593 55.423 56.100 -0.140 0.000 0.849 140 R CB 1.116 31.290 30.300 -0.210 0.000 1.128 140 R HN 0.494 nan 8.270 nan 0.000 0.448 141 L N 3.497 124.626 121.223 -0.157 0.000 2.322 141 L HA 0.606 4.947 4.340 0.001 0.000 0.269 141 L C -0.268 176.490 176.870 -0.186 0.000 1.012 141 L CA -0.619 54.145 54.840 -0.127 0.000 0.815 141 L CB 1.688 43.713 42.059 -0.057 0.000 1.295 141 L HN 0.525 nan 8.230 nan 0.000 0.438 142 I N 0.079 120.572 120.570 -0.128 0.000 2.619 142 I HA 0.272 4.442 4.170 0.001 0.000 0.292 142 I C -0.415 175.686 176.117 -0.026 0.000 1.100 142 I CA -0.567 60.667 61.300 -0.109 0.000 1.043 142 I CB 2.365 40.300 38.000 -0.108 0.000 1.239 142 I HN 0.471 nan 8.210 nan 0.000 0.420 143 T N 3.718 118.274 114.554 0.005 0.000 2.870 143 T HA 0.065 4.416 4.350 0.001 0.000 0.300 143 T C 0.256 174.970 174.700 0.025 0.000 0.989 143 T CA 0.157 62.265 62.100 0.013 0.000 1.139 143 T CB 0.887 69.767 68.868 0.020 0.000 0.920 143 T HN 0.570 nan 8.240 nan 0.000 0.537 144 S N 1.422 117.141 115.700 0.032 0.000 2.603 144 S HA 0.220 4.691 4.470 0.001 0.000 0.268 144 S C 1.437 176.055 174.600 0.030 0.000 1.317 144 S CA -0.484 57.757 58.200 0.069 0.000 1.012 144 S CB 0.494 63.766 63.200 0.119 0.000 0.926 144 S HN 0.788 nan 8.310 nan 0.000 0.539 145 S N 1.867 117.571 115.700 0.007 0.000 2.575 145 S HA 0.193 4.664 4.470 0.001 0.000 0.215 145 S C -0.374 174.039 174.600 -0.311 0.000 0.966 145 S CA -0.593 57.512 58.200 -0.159 0.000 0.911 145 S CB -0.248 62.816 63.200 -0.226 0.000 0.780 145 S HN 0.652 nan 8.310 nan 0.000 0.514 146 W N 1.942 123.224 121.300 -0.030 0.000 2.349 146 W HA 0.740 5.400 4.660 0.001 0.000 0.309 146 W C 0.202 176.678 176.519 -0.072 0.000 1.083 146 W CA -0.811 56.509 57.345 -0.042 0.000 1.224 146 W CB 1.089 30.524 29.460 -0.040 0.000 1.256 146 W HN 0.178 nan 8.180 nan 0.000 0.461 147 A N 3.536 126.420 122.820 0.106 0.000 2.316 147 A HA 0.646 4.967 4.320 0.001 0.000 0.284 147 A C -0.039 177.516 177.584 -0.049 0.000 1.115 147 A CA -0.740 51.307 52.037 0.017 0.000 0.812 147 A CB 0.490 19.491 19.000 0.001 0.000 1.064 147 A HN 0.610 nan 8.150 nan 0.000 0.489 148 R N 1.174 121.585 120.500 -0.149 0.000 2.537 148 R HA 0.329 4.669 4.340 0.001 0.000 0.280 148 R C -0.615 175.512 176.300 -0.288 0.000 1.058 148 R CA -0.371 55.489 56.100 -0.399 0.000 1.057 148 R CB -0.574 29.541 30.300 -0.309 0.000 0.973 148 R HN 0.538 nan 8.270 nan 0.000 0.438 149 F N 3.802 123.770 119.950 0.029 0.000 2.607 149 F HA 0.290 4.817 4.527 0.001 0.000 0.374 149 F C -1.832 173.980 175.800 0.020 0.000 1.104 149 F CA -2.775 55.242 58.000 0.028 0.000 1.296 149 F CB -0.786 38.223 39.000 0.015 0.000 1.085 149 F HN 0.438 nan 8.300 nan 0.000 0.584 150 P HA 0.120 nan 4.420 nan 0.000 0.270 150 P C 0.265 177.654 177.300 0.149 0.000 1.223 150 P CA 0.221 63.410 63.100 0.148 0.000 0.785 150 P CB 0.780 32.541 31.700 0.102 0.000 0.923 151 A N 2.335 125.215 122.820 0.100 0.000 2.216 151 A HA -0.129 4.192 4.320 0.001 0.000 0.214 151 A C 1.093 178.695 177.584 0.029 0.000 1.160 151 A CA 1.209 53.285 52.037 0.065 0.000 0.725 151 A CB -1.079 17.949 19.000 0.047 0.000 0.784 151 A HN 0.683 nan 8.150 nan 0.000 0.472 152 N N -1.108 117.612 118.700 0.034 0.000 2.235 152 N HA 0.150 4.891 4.740 0.001 0.000 0.231 152 N C 0.382 175.900 175.510 0.014 0.000 1.177 152 N CA 0.512 53.571 53.050 0.015 0.000 0.874 152 N CB 0.257 38.755 38.487 0.017 0.000 1.097 152 N HN 0.122 nan 8.380 nan 0.000 0.518 153 V N -0.552 119.375 119.914 0.021 0.000 2.948 153 V HA 0.398 4.519 4.120 0.001 0.000 0.234 153 V C 0.331 176.391 176.094 -0.056 0.000 1.205 153 V CA 0.765 63.077 62.300 0.021 0.000 1.234 153 V CB 0.194 32.072 31.823 0.092 0.000 1.020 153 V HN 0.181 nan 8.190 nan 0.000 0.491 154 M N 1.292 120.799 119.600 -0.156 0.000 2.484 154 M HA 0.430 4.910 4.480 0.001 0.000 0.289 154 M C -3.042 173.021 176.300 -0.396 0.000 1.206 154 M CA -1.847 53.207 55.300 -0.409 0.000 0.892 154 M CB 2.074 34.102 32.600 -0.953 0.000 1.712 154 M HN -0.056 nan 8.290 nan 0.000 0.462 155 P HA 0.161 nan 4.420 nan 0.000 0.260 155 P C 0.770 177.956 177.300 -0.191 0.000 1.651 155 P CA 0.118 63.105 63.100 -0.188 0.000 1.139 155 P CB -0.273 31.349 31.700 -0.128 0.000 1.756 156 G N 3.670 112.414 108.800 -0.094 0.000 2.559 156 G HA2 -0.176 3.785 3.960 0.001 0.000 0.216 156 G HA3 -0.176 3.785 3.960 0.001 0.000 0.216 156 G C 1.273 176.210 174.900 0.062 0.000 1.126 156 G CA 0.222 45.383 45.100 0.102 0.000 0.778 156 G HN 0.312 nan 8.290 nan 0.000 0.543 157 K N 0.258 120.657 120.400 -0.003 0.000 2.393 157 K HA 0.340 4.661 4.320 0.001 0.000 0.193 157 K C 0.834 177.413 176.600 -0.034 0.000 1.026 157 K CA 0.209 56.480 56.287 -0.028 0.000 1.064 157 K CB 0.682 33.150 32.500 -0.055 0.000 0.833 157 K HN 0.286 nan 8.250 nan 0.000 0.521 158 A N 1.162 123.961 122.820 -0.036 0.000 2.337 158 A HA 0.469 4.789 4.320 0.001 0.000 0.331 158 A C -0.594 176.975 177.584 -0.024 0.000 1.137 158 A CA -0.654 51.356 52.037 -0.046 0.000 0.807 158 A CB 0.963 19.925 19.000 -0.063 0.000 1.250 158 A HN 0.024 nan 8.150 nan 0.000 0.468 159 K N 1.570 121.924 120.400 -0.077 0.000 2.363 159 K HA 0.369 4.689 4.320 0.001 0.000 0.240 159 K C -1.037 175.496 176.600 -0.110 0.000 1.169 159 K CA -0.106 56.093 56.287 -0.147 0.000 1.131 159 K CB 0.593 32.745 32.500 -0.579 0.000 1.771 159 K HN 0.377 nan 8.250 nan 0.000 0.380 160 V N 1.515 121.490 119.914 0.101 0.000 2.465 160 V HA 0.077 4.198 4.120 0.001 0.000 0.279 160 V C 1.709 178.027 176.094 0.374 0.000 1.045 160 V CA -0.016 62.374 62.300 0.150 0.000 0.938 160 V CB 1.319 33.171 31.823 0.048 0.000 0.986 160 V HN 0.875 nan 8.190 nan 0.000 0.467 161 G N 4.326 113.371 108.800 0.408 0.000 2.574 161 G HA2 -0.265 3.696 3.960 0.001 0.000 0.220 161 G HA3 -0.265 3.696 3.960 0.001 0.000 0.220 161 G C 1.580 176.714 174.900 0.389 0.000 1.173 161 G CA 1.169 46.541 45.100 0.454 0.000 0.772 161 G HN 0.983 nan 8.290 nan 0.000 0.585 162 G N 0.881 109.826 108.800 0.242 0.000 2.475 162 G HA2 -0.290 3.670 3.960 0.001 0.000 0.220 162 G HA3 -0.290 3.670 3.960 0.001 0.000 0.220 162 G C 1.730 176.717 174.900 0.145 0.000 1.125 162 G CA 1.277 46.476 45.100 0.166 0.000 0.755 162 G HN 0.443 nan 8.290 nan 0.000 0.565 163 N N 0.195 118.966 118.700 0.119 0.000 2.149 163 N HA -0.115 4.625 4.740 0.001 0.000 0.188 163 N C 1.527 177.081 175.510 0.074 0.000 1.019 163 N CA 0.870 53.913 53.050 -0.011 0.000 0.857 163 N CB -0.494 37.890 38.487 -0.173 0.000 0.997 163 N HN 0.481 nan 8.380 nan 0.000 0.426 164 Y N 0.054 120.497 120.300 0.238 0.000 2.632 164 Y HA 0.043 4.593 4.550 0.001 0.000 0.301 164 Y C 2.013 177.970 175.900 0.096 0.000 1.172 164 Y CA -0.036 58.183 58.100 0.199 0.000 1.328 164 Y CB -0.239 38.355 38.460 0.223 0.000 1.016 164 Y HN -0.130 nan 8.280 nan 0.000 0.529 165 V N 0.327 120.321 119.914 0.132 0.000 2.427 165 V HA -0.283 3.837 4.120 0.001 0.000 0.248 165 V C 2.419 178.457 176.094 -0.094 0.000 1.051 165 V CA 1.953 64.261 62.300 0.014 0.000 1.048 165 V CB -0.443 31.384 31.823 0.007 0.000 0.666 165 V HN 0.578 nan 8.190 nan 0.000 0.456 166 N N 0.064 118.747 118.700 -0.028 0.000 2.120 166 N HA -0.158 4.582 4.740 0.001 0.000 0.188 166 N C 1.917 177.326 175.510 -0.168 0.000 1.024 166 N CA 1.878 54.856 53.050 -0.119 0.000 0.852 166 N CB 0.065 38.547 38.487 -0.008 0.000 1.003 166 N HN 0.437 nan 8.380 nan 0.000 0.424 167 S N 0.616 116.258 115.700 -0.096 0.000 2.368 167 S HA -0.011 4.459 4.470 0.001 0.000 0.224 167 S C 2.139 176.725 174.600 -0.024 0.000 1.029 167 S CA 1.013 59.185 58.200 -0.047 0.000 0.988 167 S CB -0.308 62.919 63.200 0.044 0.000 0.838 167 S HN 0.565 nan 8.310 nan 0.000 0.462 168 A N 1.581 124.390 122.820 -0.018 0.000 1.877 168 A HA -0.022 4.298 4.320 0.001 0.000 0.216 168 A C 2.126 179.629 177.584 -0.134 0.000 1.186 168 A CA 1.189 53.200 52.037 -0.042 0.000 0.620 168 A CB -0.787 18.195 19.000 -0.031 0.000 0.822 168 A HN 0.440 nan 8.150 nan 0.000 0.443 169 L N -0.829 120.218 121.223 -0.293 0.000 2.046 169 L HA -0.213 4.127 4.340 0.001 0.000 0.208 169 L C 3.110 179.802 176.870 -0.296 0.000 1.077 169 L CA 1.158 55.702 54.840 -0.494 0.000 0.747 169 L CB -0.518 40.792 42.059 -1.247 0.000 0.896 169 L HN 0.450 nan 8.230 nan 0.000 0.432 170 A N -0.089 122.612 122.820 -0.199 0.000 1.898 170 A HA -0.237 4.083 4.320 0.001 0.000 0.216 170 A C 2.292 179.890 177.584 0.025 0.000 1.181 170 A CA 1.895 53.942 52.037 0.017 0.000 0.620 170 A CB -0.381 18.635 19.000 0.027 0.000 0.819 170 A HN 0.220 nan 8.150 nan 0.000 0.442 171 K N -0.111 120.286 120.400 -0.004 0.000 2.026 171 K HA -0.028 4.293 4.320 0.001 0.000 0.208 171 K C 1.948 178.555 176.600 0.012 0.000 1.048 171 K CA 1.953 58.247 56.287 0.012 0.000 0.929 171 K CB -0.469 32.041 32.500 0.017 0.000 0.713 171 K HN 0.492 nan 8.250 nan 0.000 0.439 172 M N 0.283 119.882 119.600 -0.001 0.000 2.117 172 M HA -0.175 4.306 4.480 0.001 0.000 0.262 172 M C 2.241 178.566 176.300 0.042 0.000 1.065 172 M CA 1.958 57.264 55.300 0.010 0.000 1.114 172 M CB -0.388 32.208 32.600 -0.006 0.000 1.361 172 M HN 0.331 nan 8.290 nan 0.000 0.408 173 E N 0.583 120.826 120.200 0.071 0.000 2.051 173 E HA -0.205 4.145 4.350 0.001 0.000 0.192 173 E C 1.947 178.597 176.600 0.084 0.000 0.991 173 E CA 1.434 57.900 56.400 0.111 0.000 0.799 173 E CB 0.018 29.833 29.700 0.192 0.000 0.748 173 E HN 0.467 nan 8.360 nan 0.000 0.449 174 A N 0.605 123.462 122.820 0.063 0.000 1.877 174 A HA -0.141 4.180 4.320 0.001 0.000 0.216 174 A C 2.436 180.038 177.584 0.031 0.000 1.186 174 A CA 1.573 53.632 52.037 0.037 0.000 0.620 174 A CB -0.764 18.246 19.000 0.016 0.000 0.822 174 A HN 0.237 nan 8.150 nan 0.000 0.443 175 V N -0.120 119.811 119.914 0.028 0.000 2.343 175 V HA -0.240 3.880 4.120 0.001 0.000 0.247 175 V C 3.029 179.149 176.094 0.043 0.000 1.051 175 V CA 1.896 64.211 62.300 0.025 0.000 1.036 175 V CB -1.188 30.644 31.823 0.014 0.000 0.654 175 V HN 0.618 nan 8.190 nan 0.000 0.451 176 A N -0.081 122.769 122.820 0.051 0.000 1.972 176 A HA -0.037 4.284 4.320 0.001 0.000 0.219 176 A C 2.249 179.883 177.584 0.083 0.000 1.169 176 A CA 1.773 53.845 52.037 0.059 0.000 0.635 176 A CB -0.542 18.494 19.000 0.060 0.000 0.810 176 A HN 0.589 nan 8.150 nan 0.000 0.446 177 A N -1.999 120.881 122.820 0.101 0.000 2.238 177 A HA 0.407 4.728 4.320 0.001 0.000 0.208 177 A C 1.762 179.479 177.584 0.222 0.000 1.177 177 A CA 1.235 53.367 52.037 0.159 0.000 0.804 177 A CB -0.794 18.303 19.000 0.162 0.000 0.823 177 A HN 1.848 nan 8.150 nan 0.000 0.482 178 G N -2.406 106.480 108.800 0.144 0.000 2.159 178 G HA2 0.124 4.084 3.960 0.001 0.000 0.227 178 G HA3 0.124 4.084 3.960 0.001 0.000 0.227 178 G C 0.409 175.343 174.900 0.056 0.000 0.986 178 G CA 0.312 45.505 45.100 0.155 0.000 0.651 178 G HN 1.488 nan 8.290 nan 0.000 0.523 179 A N -0.348 122.460 122.820 -0.020 0.000 2.242 179 A HA 0.706 5.026 4.320 0.001 0.000 0.304 179 A C 1.037 178.588 177.584 -0.055 0.000 1.100 179 A CA 0.483 52.453 52.037 -0.112 0.000 0.860 179 A CB 0.613 19.516 19.000 -0.161 0.000 1.168 179 A HN 0.056 nan 8.150 nan 0.000 0.503 180 D N -0.918 119.443 120.400 -0.065 0.000 2.271 180 D HA 0.136 4.777 4.640 0.001 0.000 0.206 180 D C 0.160 176.448 176.300 -0.020 0.000 0.967 180 D CA 1.104 55.084 54.000 -0.034 0.000 0.867 180 D CB 0.545 41.325 40.800 -0.034 0.000 0.960 180 D HN 0.568 nan 8.370 nan 0.000 0.509 181 E N -0.564 119.620 120.200 -0.027 0.000 2.430 181 E HA 0.561 4.911 4.350 0.001 0.000 0.279 181 E C -1.809 174.784 176.600 -0.012 0.000 1.003 181 E CA -0.865 55.531 56.400 -0.006 0.000 0.801 181 E CB 1.746 31.450 29.700 0.008 0.000 1.313 181 E HN -0.076 nan 8.360 nan 0.000 0.459 182 A N 1.733 124.556 122.820 0.005 0.000 2.312 182 A HA 0.694 5.014 4.320 0.001 0.000 0.328 182 A C -1.311 176.276 177.584 0.004 0.000 1.158 182 A CA -0.593 51.449 52.037 0.008 0.000 0.821 182 A CB 0.681 19.698 19.000 0.027 0.000 1.170 182 A HN 0.462 nan 8.150 nan 0.000 0.490 183 L N 3.026 124.248 121.223 -0.003 0.000 2.294 183 L HA 0.651 4.991 4.340 0.001 0.000 0.283 183 L C -1.294 175.568 176.870 -0.013 0.000 1.015 183 L CA -0.452 54.381 54.840 -0.012 0.000 0.831 183 L CB 0.613 42.660 42.059 -0.021 0.000 1.217 183 L HN 0.526 nan 8.230 nan 0.000 0.420 184 L N 5.520 126.730 121.223 -0.022 0.000 2.325 184 L HA 0.538 4.879 4.340 0.001 0.000 0.279 184 L C -0.110 176.736 176.870 -0.040 0.000 1.054 184 L CA -0.043 54.780 54.840 -0.028 0.000 0.804 184 L CB 1.425 43.450 42.059 -0.057 0.000 1.200 184 L HN 0.519 nan 8.230 nan 0.000 0.436 185 L N 0.969 122.170 121.223 -0.037 0.000 2.358 185 L HA 0.508 4.848 4.340 0.001 0.000 0.268 185 L C -0.338 176.516 176.870 -0.028 0.000 1.032 185 L CA -1.128 53.691 54.840 -0.036 0.000 0.805 185 L CB 1.507 43.535 42.059 -0.052 0.000 1.253 185 L HN 0.640 nan 8.230 nan 0.000 0.452 186 D N -0.871 119.531 120.400 0.004 0.000 2.433 186 D HA 0.026 4.667 4.640 0.001 0.000 0.255 186 D C 0.597 176.906 176.300 0.015 0.000 1.226 186 D CA -0.509 53.499 54.000 0.014 0.000 1.015 186 D CB 0.665 41.497 40.800 0.053 0.000 1.091 186 D HN 0.472 nan 8.370 nan 0.000 0.527 187 E N -0.904 119.311 120.200 0.025 0.000 2.265 187 E HA -0.171 4.179 4.350 0.001 0.000 0.196 187 E C 1.141 177.749 176.600 0.014 0.000 0.996 187 E CA 1.153 57.563 56.400 0.017 0.000 0.832 187 E CB -0.055 29.664 29.700 0.032 0.000 0.756 187 E HN 0.474 nan 8.360 nan 0.000 0.491 188 E N -1.553 118.676 120.200 0.048 0.000 2.435 188 E HA 0.188 4.538 4.350 0.001 0.000 0.195 188 E C 1.144 177.711 176.600 -0.055 0.000 1.029 188 E CA 0.742 57.173 56.400 0.052 0.000 0.865 188 E CB 0.350 30.157 29.700 0.178 0.000 0.833 188 E HN 0.319 nan 8.360 nan 0.000 0.510 189 G N -0.889 107.868 108.800 -0.073 0.000 2.184 189 G HA2 -0.264 3.696 3.960 0.001 0.000 0.206 189 G HA3 -0.264 3.696 3.960 0.001 0.000 0.206 189 G C -0.195 174.538 174.900 -0.278 0.000 0.995 189 G CA -0.301 44.682 45.100 -0.194 0.000 0.651 189 G HN 0.218 nan 8.290 nan 0.000 0.511 190 Y N 0.020 120.279 120.300 -0.068 0.000 2.326 190 Y HA 0.532 5.083 4.550 0.001 0.000 0.324 190 Y C 1.297 177.143 175.900 -0.091 0.000 1.291 190 Y CA -0.707 57.342 58.100 -0.084 0.000 1.348 190 Y CB 1.151 39.569 38.460 -0.069 0.000 1.294 190 Y HN 0.041 nan 8.280 nan 0.000 0.525 191 V N 2.330 122.283 119.914 0.064 0.000 2.655 191 V HA 0.145 4.266 4.120 0.001 0.000 0.300 191 V C 0.501 176.598 176.094 0.005 0.000 1.044 191 V CA 0.789 63.080 62.300 -0.015 0.000 1.095 191 V CB 0.464 32.247 31.823 -0.068 0.000 0.952 191 V HN 1.040 nan 8.190 nan 0.000 0.485 192 A N 4.304 127.113 122.820 -0.018 0.000 2.213 192 A HA 0.555 4.876 4.320 0.001 0.000 0.220 192 A C 0.492 178.059 177.584 -0.029 0.000 2.232 192 A CA 0.610 52.634 52.037 -0.022 0.000 1.017 192 A CB 0.305 19.280 19.000 -0.042 0.000 1.372 192 A HN 0.898 nan 8.150 nan 0.000 0.614 193 E N -2.263 117.916 120.200 -0.034 0.000 2.442 193 E HA 0.502 4.853 4.350 0.001 0.000 0.278 193 E C -0.029 176.564 176.600 -0.012 0.000 1.082 193 E CA -0.610 55.780 56.400 -0.016 0.000 0.861 193 E CB 0.411 30.110 29.700 -0.001 0.000 1.462 193 E HN 0.541 nan 8.360 nan 0.000 0.458 194 G N -0.169 108.640 108.800 0.015 0.000 2.588 194 G HA2 0.262 4.222 3.960 0.001 0.000 0.281 194 G HA3 0.262 4.222 3.960 0.001 0.000 0.281 194 G C 0.866 175.782 174.900 0.026 0.000 1.236 194 G CA -0.001 45.112 45.100 0.023 0.000 0.969 194 G HN 0.611 nan 8.290 nan 0.000 0.504 195 S N -1.547 114.174 115.700 0.035 0.000 2.440 195 S HA 0.083 4.553 4.470 0.001 0.000 0.238 195 S C 1.501 176.169 174.600 0.114 0.000 1.010 195 S CA 1.300 59.527 58.200 0.045 0.000 0.972 195 S CB 0.033 63.265 63.200 0.054 0.000 0.774 195 S HN 1.476 nan 8.310 nan 0.000 0.501 196 G N -0.141 108.741 108.800 0.136 0.000 5.129 196 G HA2 0.514 4.475 3.960 0.001 0.000 0.253 196 G HA3 0.514 4.475 3.960 0.001 0.000 0.253 196 G C -0.762 174.240 174.900 0.169 0.000 0.912 196 G CA -0.563 44.660 45.100 0.206 0.000 0.729 196 G HN 0.403 nan 8.290 nan 0.000 0.373 197 E N -0.208 120.066 120.200 0.124 0.000 2.383 197 E HA 0.407 4.758 4.350 0.001 0.000 0.275 197 E C -0.826 175.833 176.600 0.098 0.000 0.918 197 E CA -0.742 55.728 56.400 0.116 0.000 0.764 197 E CB 1.484 31.247 29.700 0.105 0.000 1.252 197 E HN 0.198 nan 8.360 nan 0.000 0.449 198 N N 0.493 119.262 118.700 0.116 0.000 2.495 198 N HA 0.547 5.287 4.740 0.001 0.000 0.280 198 N C -0.944 174.626 175.510 0.100 0.000 1.168 198 N CA -0.524 52.577 53.050 0.085 0.000 0.978 198 N CB 0.939 39.483 38.487 0.094 0.000 1.191 198 N HN 0.203 nan 8.380 nan 0.000 0.497 199 L N 1.464 122.685 121.223 -0.004 0.000 2.334 199 L HA 0.608 4.949 4.340 0.001 0.000 0.273 199 L C -1.178 175.598 176.870 -0.158 0.000 1.013 199 L CA -0.592 54.245 54.840 -0.004 0.000 0.816 199 L CB 0.921 42.969 42.059 -0.018 0.000 1.278 199 L HN 0.436 nan 8.230 nan 0.000 0.431 200 F N 1.398 121.112 119.950 -0.393 0.000 2.613 200 F HA 0.641 5.169 4.527 0.001 0.000 0.314 200 F C -0.395 175.191 175.800 -0.357 0.000 1.075 200 F CA -0.783 56.875 58.000 -0.570 0.000 0.945 200 F CB 2.021 40.148 39.000 -1.455 0.000 1.310 200 F HN 0.259 nan 8.300 nan 0.000 0.467 201 F N -0.791 119.106 119.950 -0.087 0.000 2.645 201 F HA 0.916 5.443 4.527 0.001 0.000 0.310 201 F C -2.056 173.861 175.800 0.195 0.000 1.102 201 F CA -1.400 56.614 58.000 0.023 0.000 0.952 201 F CB 1.242 40.247 39.000 0.009 0.000 1.326 201 F HN 0.197 nan 8.300 nan 0.000 0.456 202 V N 2.050 122.164 119.914 0.334 0.000 2.588 202 V HA 0.805 4.926 4.120 0.001 0.000 0.304 202 V C -1.004 175.286 176.094 0.327 0.000 1.042 202 V CA -0.608 61.840 62.300 0.247 0.000 0.877 202 V CB 1.690 33.632 31.823 0.197 0.000 0.996 202 V HN 0.870 nan 8.190 nan 0.000 0.425 203 R N 2.729 123.432 120.500 0.339 0.000 2.522 203 R HA 0.489 4.829 4.340 0.001 0.000 0.283 203 R C -0.973 175.481 176.300 0.255 0.000 1.074 203 R CA -0.347 55.942 56.100 0.316 0.000 0.925 203 R CB 0.873 31.391 30.300 0.363 0.000 1.205 203 R HN 0.727 nan 8.270 nan 0.000 0.436 204 D N 3.816 124.323 120.400 0.178 0.000 2.697 204 D HA -0.183 4.458 4.640 0.001 0.000 0.235 204 D C 0.768 177.142 176.300 0.123 0.000 1.167 204 D CA 2.214 56.297 54.000 0.138 0.000 0.656 204 D CB -1.056 39.823 40.800 0.132 0.000 1.025 204 D HN 1.051 nan 8.370 nan 0.000 0.419 205 G N -2.428 106.447 108.800 0.124 0.000 2.245 205 G HA2 -0.336 3.625 3.960 0.001 0.000 0.264 205 G HA3 -0.336 3.625 3.960 0.001 0.000 0.264 205 G C 0.433 175.392 174.900 0.099 0.000 0.985 205 G CA 0.383 45.557 45.100 0.123 0.000 0.625 205 G HN 0.649 nan 8.290 nan 0.000 0.536 206 V N 1.889 121.824 119.914 0.035 0.000 2.472 206 V HA 0.583 4.704 4.120 0.001 0.000 0.290 206 V C 0.779 176.697 176.094 -0.294 0.000 1.037 206 V CA -0.705 61.501 62.300 -0.158 0.000 0.908 206 V CB 1.783 33.415 31.823 -0.318 0.000 0.985 206 V HN 0.296 nan 8.190 nan 0.000 0.454 207 I N 4.696 125.073 120.570 -0.320 0.000 2.342 207 I HA 0.337 4.507 4.170 0.001 0.000 0.291 207 I C -1.028 174.794 176.117 -0.491 0.000 1.010 207 I CA -0.297 60.855 61.300 -0.246 0.000 1.308 207 I CB 0.775 38.733 38.000 -0.071 0.000 1.400 207 I HN 0.530 nan 8.210 nan 0.000 0.488 208 Y N 5.151 125.224 120.300 -0.379 0.000 2.334 208 Y HA 0.578 5.128 4.550 0.001 0.000 0.336 208 Y C 0.462 176.076 175.900 -0.477 0.000 0.960 208 Y CA -0.702 57.048 58.100 -0.583 0.000 1.164 208 Y CB 1.567 39.209 38.460 -1.363 0.000 1.155 208 Y HN 0.584 nan 8.280 nan 0.000 0.478 209 A N 4.685 127.328 122.820 -0.294 0.000 2.306 209 A HA 0.678 4.998 4.320 0.001 0.000 0.314 209 A C -0.521 176.802 177.584 -0.435 0.000 1.164 209 A CA -0.705 50.918 52.037 -0.689 0.000 0.822 209 A CB 0.508 19.128 19.000 -0.634 0.000 1.130 209 A HN 0.816 nan 8.150 nan 0.000 0.496 210 L N 1.726 122.672 121.223 -0.461 0.000 2.395 210 L HA 0.218 4.559 4.340 0.001 0.000 0.269 210 L C 0.823 177.529 176.870 -0.273 0.000 1.133 210 L CA -0.297 54.402 54.840 -0.235 0.000 0.812 210 L CB 0.543 42.506 42.059 -0.160 0.000 1.125 210 L HN 0.804 nan 8.230 nan 0.000 0.452 211 E N 0.635 120.717 120.200 -0.196 0.000 2.425 211 E HA -0.060 4.290 4.350 0.001 0.000 0.258 211 E C 0.717 177.208 176.600 -0.182 0.000 1.151 211 E CA -0.321 55.946 56.400 -0.221 0.000 0.958 211 E CB 0.600 30.217 29.700 -0.138 0.000 0.968 211 E HN 0.455 nan 8.360 nan 0.000 0.451 212 H N 0.989 120.020 119.070 -0.066 0.000 2.423 212 H HA -0.138 4.418 4.556 0.001 0.000 0.297 212 H C 1.791 177.099 175.328 -0.033 0.000 1.075 212 H CA 1.124 57.144 56.048 -0.047 0.000 1.342 212 H CB -0.301 29.442 29.762 -0.031 0.000 1.395 212 H HN 0.690 nan 8.280 nan 0.000 0.530 213 S N 0.348 116.092 115.700 0.073 0.000 4.135 213 S HA -0.328 4.142 4.470 0.001 0.000 0.538 213 S C 1.719 176.355 174.600 0.060 0.000 1.522 213 S CA 2.939 61.160 58.200 0.034 0.000 3.869 213 S CB -1.464 61.734 63.200 -0.005 0.000 1.628 213 S HN 0.384 nan 8.310 nan 0.000 0.492 214 V N -0.182 119.767 119.914 0.058 0.000 3.444 214 V HA 0.446 4.566 4.120 0.001 0.000 0.308 214 V C 0.506 176.664 176.094 0.106 0.000 1.371 214 V CA -0.086 62.269 62.300 0.092 0.000 1.141 214 V CB -1.189 30.696 31.823 0.103 0.000 1.037 214 V HN 0.592 nan 8.190 nan 0.000 0.433 215 N N 0.925 119.673 118.700 0.080 0.000 2.413 215 N HA 0.471 5.211 4.740 0.001 0.000 0.266 215 N C -0.605 174.952 175.510 0.079 0.000 1.238 215 N CA -0.536 52.561 53.050 0.077 0.000 0.972 215 N CB 1.730 40.255 38.487 0.064 0.000 1.210 215 N HN 0.280 nan 8.380 nan 0.000 0.547 216 L N 0.605 121.875 121.223 0.078 0.000 2.397 216 L HA 0.121 4.461 4.340 0.001 0.000 0.271 216 L C 0.236 177.126 176.870 0.034 0.000 1.148 216 L CA 0.088 54.959 54.840 0.051 0.000 0.825 216 L CB 0.303 42.413 42.059 0.085 0.000 1.117 216 L HN 0.419 nan 8.230 nan 0.000 0.456 217 E N 3.948 124.109 120.200 -0.065 0.000 1.814 217 E HA 0.214 4.564 4.350 0.001 0.000 0.264 217 E C 0.144 176.745 176.600 0.001 0.000 1.179 217 E CA -0.231 56.101 56.400 -0.114 0.000 0.972 217 E CB 0.153 29.624 29.700 -0.381 0.000 1.077 217 E HN 0.839 nan 8.360 nan 0.000 0.417 218 G N 2.335 111.182 108.800 0.078 0.000 2.353 218 G HA2 -0.040 3.921 3.960 0.001 0.000 0.239 218 G HA3 -0.040 3.921 3.960 0.001 0.000 0.239 218 G C 0.794 175.717 174.900 0.038 0.000 1.295 218 G CA -0.288 44.855 45.100 0.072 0.000 0.884 218 G HN 0.571 nan 8.290 nan 0.000 0.537 219 I N 1.498 122.054 120.570 -0.023 0.000 2.617 219 I HA -0.115 4.056 4.170 0.001 0.000 0.256 219 I C 2.730 178.839 176.117 -0.013 0.000 1.167 219 I CA 1.021 62.263 61.300 -0.096 0.000 1.469 219 I CB -0.021 37.808 38.000 -0.285 0.000 1.098 219 I HN 0.500 nan 8.210 nan 0.000 0.436 220 T N 0.290 114.878 114.554 0.056 0.000 2.812 220 T HA -0.164 4.187 4.350 0.001 0.000 0.264 220 T C 1.990 176.707 174.700 0.029 0.000 1.042 220 T CA 0.994 63.105 62.100 0.019 0.000 1.140 220 T CB -0.245 68.596 68.868 -0.046 0.000 0.870 220 T HN 0.308 nan 8.240 nan 0.000 0.445 221 R N 1.204 121.789 120.500 0.142 0.000 2.083 221 R HA -0.181 4.159 4.340 0.001 0.000 0.237 221 R C 2.187 178.647 176.300 0.267 0.000 1.137 221 R CA 2.223 58.519 56.100 0.327 0.000 0.951 221 R CB -0.482 29.976 30.300 0.263 0.000 0.851 221 R HN 0.390 nan 8.270 nan 0.000 0.434 222 D N -0.405 120.081 120.400 0.142 0.000 2.104 222 D HA -0.124 4.516 4.640 0.001 0.000 0.194 222 D C 1.699 178.065 176.300 0.111 0.000 0.994 222 D CA 1.987 56.057 54.000 0.116 0.000 0.830 222 D CB 0.048 40.877 40.800 0.049 0.000 0.959 222 D HN 0.193 nan 8.370 nan 0.000 0.452 223 S N -0.767 114.934 115.700 0.001 0.000 2.368 223 S HA -0.139 4.331 4.470 0.001 0.000 0.225 223 S C 2.195 176.869 174.600 0.124 0.000 1.030 223 S CA 1.035 59.205 58.200 -0.050 0.000 0.999 223 S CB -0.342 62.764 63.200 -0.158 0.000 0.844 223 S HN 0.187 nan 8.310 nan 0.000 0.459 224 V N 2.052 121.996 119.914 0.050 0.000 2.407 224 V HA -0.144 3.976 4.120 0.001 0.000 0.248 224 V C 2.042 178.185 176.094 0.082 0.000 1.055 224 V CA 1.387 63.675 62.300 -0.020 0.000 1.049 224 V CB -0.723 30.960 31.823 -0.232 0.000 0.662 224 V HN 0.445 nan 8.190 nan 0.000 0.455 225 I N -0.082 120.609 120.570 0.202 0.000 2.252 225 I HA -0.224 3.946 4.170 0.001 0.000 0.245 225 I C 2.750 178.986 176.117 0.198 0.000 1.102 225 I CA 1.509 62.946 61.300 0.230 0.000 1.385 225 I CB -0.352 37.788 38.000 0.234 0.000 1.064 225 I HN 0.254 nan 8.210 nan 0.000 0.414 226 R N 1.803 122.444 120.500 0.234 0.000 2.073 226 R HA -0.124 4.216 4.340 0.001 0.000 0.234 226 R C 2.034 178.490 176.300 0.260 0.000 1.134 226 R CA 1.799 58.062 56.100 0.271 0.000 0.952 226 R CB -0.803 29.743 30.300 0.410 0.000 0.850 226 R HN 0.291 nan 8.270 nan 0.000 0.433 227 I N 0.487 121.195 120.570 0.231 0.000 2.226 227 I HA -0.258 3.913 4.170 0.001 0.000 0.245 227 I C 2.349 178.593 176.117 0.211 0.000 1.100 227 I CA 1.422 62.844 61.300 0.203 0.000 1.374 227 I CB -0.500 37.560 38.000 0.100 0.000 1.057 227 I HN 0.344 nan 8.210 nan 0.000 0.413 228 A N 0.899 123.823 122.820 0.174 0.000 1.883 228 A HA -0.240 4.081 4.320 0.001 0.000 0.217 228 A C 2.322 180.075 177.584 0.281 0.000 1.186 228 A CA 1.766 53.942 52.037 0.232 0.000 0.624 228 A CB -0.485 18.583 19.000 0.114 0.000 0.822 228 A HN 0.332 nan 8.150 nan 0.000 0.444 229 K N -0.538 119.981 120.400 0.198 0.000 2.097 229 K HA -0.136 4.185 4.320 0.001 0.000 0.206 229 K C 1.458 178.134 176.600 0.126 0.000 1.049 229 K CA 1.361 57.738 56.287 0.150 0.000 0.933 229 K CB -0.248 32.326 32.500 0.124 0.000 0.717 229 K HN 0.378 nan 8.250 nan 0.000 0.442 230 D N 1.018 121.512 120.400 0.156 0.000 2.178 230 D HA -0.111 4.529 4.640 0.001 0.000 0.201 230 D C 1.648 178.000 176.300 0.086 0.000 0.980 230 D CA 0.951 55.027 54.000 0.126 0.000 0.842 230 D CB -0.003 40.918 40.800 0.201 0.000 0.948 230 D HN 0.158 nan 8.370 nan 0.000 0.472 231 L N -0.782 120.510 121.223 0.115 0.000 2.554 231 L HA 0.138 4.478 4.340 0.001 0.000 0.226 231 L C 1.519 178.309 176.870 -0.133 0.000 1.137 231 L CA 0.525 55.384 54.840 0.031 0.000 0.863 231 L CB -0.033 42.108 42.059 0.136 0.000 0.985 231 L HN 0.143 nan 8.230 nan 0.000 0.451 232 G N -1.619 107.137 108.800 -0.073 0.000 2.159 232 G HA2 -0.280 3.680 3.960 0.001 0.000 0.227 232 G HA3 -0.280 3.680 3.960 0.001 0.000 0.227 232 G C -0.053 174.758 174.900 -0.149 0.000 0.986 232 G CA -0.575 44.448 45.100 -0.129 0.000 0.651 232 G HN 0.186 nan 8.290 nan 0.000 0.523 233 Y N 1.031 121.337 120.300 0.010 0.000 2.336 233 Y HA 0.493 5.044 4.550 0.001 0.000 0.331 233 Y C 0.928 176.818 175.900 -0.017 0.000 1.211 233 Y CA -0.220 57.877 58.100 -0.003 0.000 1.346 233 Y CB 0.753 39.214 38.460 0.002 0.000 1.271 233 Y HN 0.267 nan 8.280 nan 0.000 0.538 234 E N 1.928 122.208 120.200 0.134 0.000 2.259 234 E HA 0.461 4.811 4.350 0.001 0.000 0.281 234 E C -1.640 174.941 176.600 -0.032 0.000 1.027 234 E CA -0.412 56.002 56.400 0.025 0.000 0.838 234 E CB 0.748 30.436 29.700 -0.020 0.000 1.066 234 E HN 0.430 nan 8.360 nan 0.000 0.401 235 V N 5.070 124.957 119.914 -0.045 0.000 2.487 235 V HA 0.277 4.397 4.120 0.001 0.000 0.298 235 V C -0.421 175.593 176.094 -0.135 0.000 1.028 235 V CA -0.708 61.538 62.300 -0.089 0.000 0.860 235 V CB 1.627 33.460 31.823 0.018 0.000 0.991 235 V HN 0.755 nan 8.190 nan 0.000 0.427 236 Q N 2.610 122.259 119.800 -0.251 0.000 2.377 236 Q HA 0.715 5.055 4.340 0.001 0.000 0.271 236 Q C -1.420 174.518 176.000 -0.104 0.000 1.077 236 Q CA -0.806 54.899 55.803 -0.165 0.000 0.820 236 Q CB 3.137 31.767 28.738 -0.180 0.000 1.347 236 Q HN 0.560 nan 8.270 nan 0.000 0.444 237 V N 2.797 122.675 119.914 -0.060 0.000 2.384 237 V HA 0.568 4.688 4.120 0.001 0.000 0.287 237 V C -0.153 175.920 176.094 -0.036 0.000 1.020 237 V CA -0.510 61.736 62.300 -0.089 0.000 0.850 237 V CB 1.214 32.959 31.823 -0.130 0.000 0.987 237 V HN 0.621 nan 8.190 nan 0.000 0.436 238 V N 2.589 122.490 119.914 -0.021 0.000 3.182 238 V HA 0.723 4.843 4.120 0.001 0.000 0.308 238 V C -0.600 175.477 176.094 -0.028 0.000 1.240 238 V CA -1.317 60.984 62.300 0.002 0.000 1.063 238 V CB 2.152 34.021 31.823 0.076 0.000 1.076 238 V HN 0.807 nan 8.190 nan 0.000 0.446 239 R N 0.923 121.387 120.500 -0.060 0.000 2.457 239 R HA 0.858 5.199 4.340 0.001 0.000 0.284 239 R C -0.375 175.913 176.300 -0.021 0.000 1.024 239 R CA 0.347 56.379 56.100 -0.114 0.000 1.025 239 R CB 1.466 31.585 30.300 -0.300 0.000 1.063 239 R HN 1.419 nan 8.270 nan 0.000 0.493 240 A N 1.784 124.618 122.820 0.024 0.000 2.515 240 A HA 0.545 4.866 4.320 0.001 0.000 0.296 240 A C -0.767 176.843 177.584 0.043 0.000 1.094 240 A CA -0.731 51.310 52.037 0.007 0.000 0.718 240 A CB 1.724 20.679 19.000 -0.076 0.000 1.307 240 A HN 0.820 nan 8.150 nan 0.000 0.408 241 T N -1.727 112.775 114.554 -0.087 0.000 2.952 241 T HA 0.458 4.808 4.350 0.001 0.000 0.286 241 T C 1.223 175.722 174.700 -0.334 0.000 1.024 241 T CA -0.225 61.774 62.100 -0.168 0.000 1.029 241 T CB 1.260 70.014 68.868 -0.191 0.000 1.094 241 T HN 0.878 nan 8.240 nan 0.000 0.515 242 R N 1.048 121.314 120.500 -0.390 0.000 2.105 242 R HA -0.130 4.211 4.340 0.001 0.000 0.239 242 R C 1.016 176.707 176.300 -1.016 0.000 1.135 242 R CA 2.009 57.734 56.100 -0.625 0.000 0.967 242 R CB -0.979 28.986 30.300 -0.558 0.000 0.861 242 R HN 0.759 nan 8.270 nan 0.000 0.442 243 D N 0.487 120.456 120.400 -0.718 0.000 2.347 243 D HA -0.127 4.513 4.640 0.001 0.000 0.215 243 D C 1.567 177.672 176.300 -0.325 0.000 0.976 243 D CA 0.614 54.302 54.000 -0.521 0.000 0.884 243 D CB -0.215 40.494 40.800 -0.152 0.000 0.915 243 D HN 0.458 nan 8.370 nan 0.000 0.526 244 Q N -0.117 119.444 119.800 -0.399 0.000 2.187 244 Q HA 0.109 4.450 4.340 0.001 0.000 0.199 244 Q C 2.316 177.981 176.000 -0.558 0.000 0.957 244 Q CA 0.455 56.003 55.803 -0.425 0.000 0.857 244 Q CB 0.169 28.603 28.738 -0.506 0.000 0.929 244 Q HN 0.337 nan 8.270 nan 0.000 0.453 245 L N -0.774 120.095 121.223 -0.590 0.000 2.072 245 L HA -0.135 4.205 4.340 0.001 0.000 0.205 245 L C 2.010 178.809 176.870 -0.119 0.000 1.079 245 L CA 1.111 55.688 54.840 -0.439 0.000 0.752 245 L CB -0.586 41.256 42.059 -0.362 0.000 0.906 245 L HN 0.324 nan 8.230 nan 0.000 0.436 246 Y N 0.650 120.863 120.300 -0.145 0.000 2.207 246 Y HA -0.286 4.264 4.550 0.001 0.000 0.287 246 Y C 2.541 178.410 175.900 -0.052 0.000 1.156 246 Y CA 1.036 59.089 58.100 -0.078 0.000 1.182 246 Y CB -0.209 38.212 38.460 -0.064 0.000 0.979 246 Y HN 0.327 nan 8.280 nan 0.000 0.521 247 M N -0.555 119.098 119.600 0.089 0.000 2.431 247 M HA 0.472 4.953 4.480 0.001 0.000 0.237 247 M C 0.548 176.885 176.300 0.062 0.000 1.130 247 M CA -0.144 55.193 55.300 0.062 0.000 1.002 247 M CB 0.084 32.708 32.600 0.040 0.000 1.524 247 M HN -0.047 nan 8.290 nan 0.000 0.482 248 A N 1.318 124.172 122.820 0.057 0.000 2.366 248 A HA 0.186 4.506 4.320 0.001 0.000 0.249 248 A C 0.481 178.159 177.584 0.157 0.000 1.084 248 A CA -0.254 51.874 52.037 0.152 0.000 0.794 248 A CB 0.310 19.439 19.000 0.215 0.000 1.034 248 A HN 0.463 nan 8.150 nan 0.000 0.491 249 D N 0.111 120.623 120.400 0.186 0.000 2.183 249 D HA 0.025 4.666 4.640 0.001 0.000 0.203 249 D C 0.279 176.670 176.300 0.152 0.000 0.969 249 D CA 1.368 55.457 54.000 0.149 0.000 0.842 249 D CB 0.300 41.187 40.800 0.145 0.000 0.957 249 D HN 0.717 nan 8.370 nan 0.000 0.484 250 E N -0.733 119.586 120.200 0.199 0.000 2.413 250 E HA 0.521 4.871 4.350 0.001 0.000 0.277 250 E C -1.341 175.419 176.600 0.267 0.000 0.958 250 E CA -0.674 55.853 56.400 0.211 0.000 0.779 250 E CB 3.365 33.194 29.700 0.215 0.000 1.278 250 E HN -0.289 nan 8.360 nan 0.000 0.456 251 V N 2.100 122.164 119.914 0.251 0.000 2.888 251 V HA 0.635 4.755 4.120 0.001 0.000 0.309 251 V C -1.277 174.984 176.094 0.279 0.000 1.114 251 V CA -0.837 61.592 62.300 0.214 0.000 0.940 251 V CB 1.407 33.308 31.823 0.131 0.000 1.021 251 V HN 0.662 nan 8.190 nan 0.000 0.426 252 F N 1.728 121.753 119.950 0.125 0.000 2.668 252 F HA 0.880 5.408 4.527 0.001 0.000 0.309 252 F C -1.050 174.814 175.800 0.106 0.000 1.117 252 F CA -1.257 56.778 58.000 0.058 0.000 0.951 252 F CB 1.820 40.798 39.000 -0.037 0.000 1.323 252 F HN 0.343 nan 8.300 nan 0.000 0.451 253 M N 1.877 121.643 119.600 0.276 0.000 2.578 253 M HA 0.672 5.153 4.480 0.001 0.000 0.321 253 M C -0.783 175.643 176.300 0.209 0.000 1.182 253 M CA -0.729 54.689 55.300 0.196 0.000 0.965 253 M CB 2.688 35.362 32.600 0.124 0.000 1.694 253 M HN 0.845 nan 8.290 nan 0.000 0.461 254 T N -1.030 113.636 114.554 0.188 0.000 2.900 254 T HA 0.950 5.301 4.350 0.001 0.000 0.295 254 T C -0.432 174.320 174.700 0.087 0.000 1.044 254 T CA -0.757 61.399 62.100 0.094 0.000 0.995 254 T CB 2.150 71.086 68.868 0.113 0.000 1.072 254 T HN 1.017 nan 8.240 nan 0.000 0.473 255 G N 0.320 109.138 108.800 0.030 0.000 2.489 255 G HA2 0.447 4.407 3.960 0.001 0.000 0.291 255 G HA3 0.447 4.407 3.960 0.001 0.000 0.291 255 G C 0.263 175.207 174.900 0.073 0.000 1.487 255 G CA -0.213 44.938 45.100 0.085 0.000 0.795 255 G HN 0.620 nan 8.290 nan 0.000 0.513 256 T N 0.900 115.535 114.554 0.134 0.000 2.720 256 T HA -0.044 4.307 4.350 0.001 0.000 0.268 256 T C 2.660 177.379 174.700 0.031 0.000 1.037 256 T CA 2.730 64.903 62.100 0.123 0.000 1.144 256 T CB -0.201 68.751 68.868 0.141 0.000 0.864 256 T HN 0.908 nan 8.240 nan 0.000 0.444 257 A N 0.921 123.791 122.820 0.083 0.000 1.935 257 A HA 0.477 4.798 4.320 0.001 0.000 0.214 257 A C 2.463 180.128 177.584 0.134 0.000 1.178 257 A CA 1.196 53.256 52.037 0.039 0.000 0.640 257 A CB -0.712 18.419 19.000 0.218 0.000 0.825 257 A HN 0.467 nan 8.150 nan 0.000 0.447 258 A N -1.098 121.795 122.820 0.121 0.000 2.167 258 A HA 0.238 4.558 4.320 0.001 0.000 0.214 258 A C 0.915 178.525 177.584 0.043 0.000 1.151 258 A CA 1.156 53.252 52.037 0.100 0.000 0.735 258 A CB -0.341 18.711 19.000 0.086 0.000 0.802 258 A HN 0.602 nan 8.150 nan 0.000 0.467 259 E N -2.228 117.972 120.200 0.001 0.000 3.289 259 E HA -0.254 4.096 4.350 0.001 0.000 0.386 259 E C -0.473 175.974 176.600 -0.254 0.000 1.526 259 E CA 1.589 57.920 56.400 -0.114 0.000 1.519 259 E CB -1.131 28.614 29.700 0.075 0.000 1.657 259 E HN 0.277 nan 8.360 nan 0.000 0.479 260 V N 1.370 121.152 119.914 -0.220 0.000 2.326 260 V HA 0.343 4.464 4.120 0.001 0.000 0.281 260 V C -0.444 175.597 176.094 -0.089 0.000 1.015 260 V CA -0.264 61.911 62.300 -0.208 0.000 0.823 260 V CB 1.603 33.218 31.823 -0.347 0.000 1.009 260 V HN 0.421 nan 8.190 nan 0.000 0.436 261 T N 7.884 122.438 114.554 0.001 0.000 2.772 261 T HA 0.417 4.768 4.350 0.001 0.000 0.288 261 T C -2.657 172.092 174.700 0.082 0.000 0.994 261 T CA -1.301 60.815 62.100 0.026 0.000 0.951 261 T CB 1.798 70.686 68.868 0.035 0.000 0.933 261 T HN 0.334 nan 8.240 nan 0.000 0.447 262 P HA 0.247 nan 4.420 nan 0.000 0.271 262 P C -0.900 176.456 177.300 0.093 0.000 1.216 262 P CA -0.413 62.743 63.100 0.093 0.000 0.776 262 P CB 0.606 32.329 31.700 0.038 0.000 0.881 263 V N 2.700 122.686 119.914 0.121 0.000 2.378 263 V HA 0.156 4.276 4.120 0.001 0.000 0.288 263 V C 1.076 177.211 176.094 0.068 0.000 1.016 263 V CA 0.122 62.468 62.300 0.077 0.000 0.840 263 V CB 1.179 33.049 31.823 0.079 0.000 0.994 263 V HN 0.663 nan 8.190 nan 0.000 0.431 264 S N 3.524 119.248 115.700 0.039 0.000 2.524 264 S HA 0.397 4.868 4.470 0.001 0.000 0.215 264 S C 0.220 174.832 174.600 0.020 0.000 0.986 264 S CA -0.119 58.104 58.200 0.037 0.000 0.911 264 S CB 0.298 63.518 63.200 0.033 0.000 0.805 264 S HN 0.646 nan 8.310 nan 0.000 0.501 265 M N 0.983 120.578 119.600 -0.009 0.000 2.365 265 M HA 0.542 5.023 4.480 0.001 0.000 0.288 265 M C -2.548 173.704 176.300 -0.081 0.000 1.152 265 M CA -0.619 54.655 55.300 -0.044 0.000 0.948 265 M CB 1.850 34.406 32.600 -0.075 0.000 1.729 265 M HN 0.126 nan 8.290 nan 0.000 0.487 266 I N 4.102 124.634 120.570 -0.063 0.000 2.534 266 I HA 0.325 4.496 4.170 0.001 0.000 0.288 266 I C -0.743 175.317 176.117 -0.095 0.000 1.077 266 I CA -0.533 60.744 61.300 -0.039 0.000 1.051 266 I CB 2.042 40.124 38.000 0.138 0.000 1.234 266 I HN 0.784 nan 8.210 nan 0.000 0.425 267 D N 5.348 125.633 120.400 -0.192 0.000 2.689 267 D HA -0.238 4.402 4.640 0.001 0.000 0.237 267 D C -0.118 176.132 176.300 -0.084 0.000 1.148 267 D CA 1.160 55.064 54.000 -0.161 0.000 0.656 267 D CB -0.857 39.955 40.800 0.020 0.000 1.050 267 D HN 0.806 nan 8.370 nan 0.000 0.426 268 W N -1.957 119.308 121.300 -0.059 0.000 3.904 268 W HA -0.319 4.342 4.660 0.001 0.000 0.312 268 W C 0.739 177.195 176.519 -0.104 0.000 1.159 268 W CA 0.361 57.667 57.345 -0.066 0.000 0.704 268 W CB -2.076 27.349 29.460 -0.058 0.000 2.209 268 W HN 0.152 nan 8.180 nan 0.000 1.468 269 R N 1.505 121.978 120.500 -0.045 0.000 2.310 269 R HA 0.304 4.645 4.340 0.001 0.000 0.324 269 R C -1.976 174.291 176.300 -0.056 0.000 0.955 269 R CA -1.877 54.155 56.100 -0.114 0.000 0.830 269 R CB 0.915 30.985 30.300 -0.384 0.000 1.154 269 R HN -0.259 nan 8.270 nan 0.000 0.458 270 P HA 0.020 nan 4.420 nan 0.000 0.268 270 P C -0.414 176.902 177.300 0.027 0.000 1.204 270 P CA -0.014 63.095 63.100 0.015 0.000 0.768 270 P CB 0.847 32.563 31.700 0.028 0.000 0.842 271 I N 2.601 123.197 120.570 0.044 0.000 2.304 271 I HA 0.255 4.426 4.170 0.001 0.000 0.291 271 I C 1.687 177.846 176.117 0.070 0.000 1.018 271 I CA 0.518 61.859 61.300 0.068 0.000 1.260 271 I CB -0.346 37.703 38.000 0.082 0.000 1.390 271 I HN 0.764 nan 8.210 nan 0.000 0.475 272 G N 7.792 116.636 108.800 0.073 0.000 2.622 272 G HA2 -0.380 3.580 3.960 0.001 0.000 0.307 272 G HA3 -0.380 3.580 3.960 0.001 0.000 0.307 272 G C 0.981 175.916 174.900 0.057 0.000 1.226 272 G CA 0.669 45.812 45.100 0.071 0.000 0.997 272 G HN 0.782 nan 8.290 nan 0.000 0.551 273 K N 1.844 122.279 120.400 0.057 0.000 2.515 273 K HA 0.321 4.642 4.320 0.001 0.000 0.196 273 K C 1.797 178.423 176.600 0.044 0.000 1.038 273 K CA 1.462 57.777 56.287 0.048 0.000 0.967 273 K CB -0.215 32.313 32.500 0.047 0.000 0.780 273 K HN 2.439 nan 8.250 nan 0.000 0.483 274 G N 0.902 109.730 108.800 0.047 0.000 2.175 274 G HA2 -0.284 3.676 3.960 0.001 0.000 0.244 274 G HA3 -0.284 3.676 3.960 0.001 0.000 0.244 274 G C 0.210 175.135 174.900 0.042 0.000 0.982 274 G CA 0.534 45.659 45.100 0.042 0.000 0.641 274 G HN 0.717 nan 8.290 nan 0.000 0.527 275 T N -2.798 111.783 114.554 0.044 0.000 2.804 275 T HA 0.869 5.219 4.350 0.001 0.000 0.290 275 T C 0.363 175.091 174.700 0.047 0.000 1.099 275 T CA 0.405 62.530 62.100 0.043 0.000 1.011 275 T CB 1.537 70.429 68.868 0.040 0.000 1.291 275 T HN 1.838 nan 8.240 nan 0.000 0.523 276 A N 0.092 122.938 122.820 0.044 0.000 2.531 276 A HA 0.587 4.908 4.320 0.001 0.000 0.236 276 A C 0.895 178.502 177.584 0.040 0.000 1.062 276 A CA 0.201 52.264 52.037 0.042 0.000 0.760 276 A CB -0.792 18.227 19.000 0.031 0.000 0.995 276 A HN 1.336 nan 8.150 nan 0.000 0.501 277 G N 0.888 109.713 108.800 0.041 0.000 2.488 277 G HA2 0.542 4.503 3.960 0.001 0.000 0.318 277 G HA3 0.542 4.503 3.960 0.001 0.000 0.318 277 G C -1.250 173.658 174.900 0.013 0.000 1.188 277 G CA -0.903 44.221 45.100 0.040 0.000 0.944 277 G HN 0.484 nan 8.290 nan 0.000 0.495 278 P HA -0.098 nan 4.420 nan 0.000 0.218 278 P C 1.887 179.179 177.300 -0.014 0.000 1.149 278 P CA 0.733 63.843 63.100 0.016 0.000 0.817 278 P CB 0.205 31.932 31.700 0.044 0.000 0.785 279 V N 1.195 121.085 119.914 -0.040 0.000 2.270 279 V HA -0.198 3.922 4.120 0.001 0.000 0.245 279 V C 2.952 178.861 176.094 -0.309 0.000 1.043 279 V CA 2.307 64.512 62.300 -0.159 0.000 1.014 279 V CB -1.757 29.949 31.823 -0.195 0.000 0.645 279 V HN 0.100 nan 8.190 nan 0.000 0.447 280 A N -0.261 122.364 122.820 -0.325 0.000 1.902 280 A HA -0.151 4.170 4.320 0.001 0.000 0.217 280 A C 2.224 179.595 177.584 -0.355 0.000 1.181 280 A CA 1.772 53.469 52.037 -0.565 0.000 0.623 280 A CB -0.577 18.213 19.000 -0.351 0.000 0.818 280 A HN 0.503 nan 8.150 nan 0.000 0.443 281 L N -1.235 119.883 121.223 -0.174 0.000 2.083 281 L HA -0.162 4.179 4.340 0.001 0.000 0.209 281 L C 2.806 179.625 176.870 -0.084 0.000 1.083 281 L CA 1.679 56.462 54.840 -0.094 0.000 0.752 281 L CB -0.433 41.607 42.059 -0.032 0.000 0.899 281 L HN 0.468 nan 8.230 nan 0.000 0.433 282 R N 0.548 120.997 120.500 -0.085 0.000 2.075 282 R HA -0.122 4.219 4.340 0.001 0.000 0.232 282 R C 2.331 178.594 176.300 -0.063 0.000 1.126 282 R CA 1.123 57.204 56.100 -0.033 0.000 0.963 282 R CB -0.116 30.206 30.300 0.036 0.000 0.858 282 R HN 0.297 nan 8.270 nan 0.000 0.435 283 L N 0.283 121.395 121.223 -0.184 0.000 2.046 283 L HA -0.147 4.194 4.340 0.001 0.000 0.208 283 L C 2.896 179.674 176.870 -0.154 0.000 1.077 283 L CA 1.433 56.142 54.840 -0.218 0.000 0.747 283 L CB -0.503 41.268 42.059 -0.481 0.000 0.896 283 L HN 0.268 nan 8.230 nan 0.000 0.432 284 R N 0.463 120.852 120.500 -0.184 0.000 2.081 284 R HA -0.222 4.118 4.340 0.001 0.000 0.235 284 R C 2.226 178.535 176.300 0.014 0.000 1.131 284 R CA 1.805 57.855 56.100 -0.082 0.000 0.960 284 R CB -0.172 30.078 30.300 -0.084 0.000 0.856 284 R HN 0.391 nan 8.270 nan 0.000 0.436 285 E N -0.039 120.159 120.200 -0.003 0.000 2.038 285 E HA -0.176 4.174 4.350 0.001 0.000 0.195 285 E C 1.839 178.453 176.600 0.022 0.000 1.000 285 E CA 1.864 58.275 56.400 0.017 0.000 0.803 285 E CB 0.056 29.765 29.700 0.016 0.000 0.750 285 E HN 0.250 nan 8.360 nan 0.000 0.448 286 V N 0.557 120.492 119.914 0.036 0.000 2.427 286 V HA -0.233 3.888 4.120 0.001 0.000 0.248 286 V C 2.151 178.268 176.094 0.038 0.000 1.051 286 V CA 1.934 64.272 62.300 0.062 0.000 1.048 286 V CB -0.768 31.117 31.823 0.104 0.000 0.666 286 V HN 0.410 nan 8.190 nan 0.000 0.456 287 Y N 0.560 120.794 120.300 -0.110 0.000 2.181 287 Y HA -0.209 4.342 4.550 0.001 0.000 0.288 287 Y C 2.217 177.962 175.900 -0.258 0.000 1.146 287 Y CA 1.686 59.670 58.100 -0.192 0.000 1.164 287 Y CB -0.111 38.213 38.460 -0.226 0.000 0.982 287 Y HN 0.140 nan 8.280 nan 0.000 0.515 288 L N 0.038 121.145 121.223 -0.193 0.000 2.141 288 L HA -0.172 4.168 4.340 0.001 0.000 0.209 288 L C 2.196 178.891 176.870 -0.291 0.000 1.094 288 L CA 1.485 56.134 54.840 -0.318 0.000 0.763 288 L CB -0.505 41.504 42.059 -0.083 0.000 0.908 288 L HN 0.330 nan 8.230 nan 0.000 0.437 289 E N 0.315 120.427 120.200 -0.147 0.000 2.150 289 E HA -0.164 4.187 4.350 0.001 0.000 0.193 289 E C 2.320 178.872 176.600 -0.081 0.000 0.985 289 E CA 1.013 57.368 56.400 -0.074 0.000 0.814 289 E CB -0.098 29.603 29.700 0.002 0.000 0.752 289 E HN 0.491 nan 8.360 nan 0.000 0.466 290 A N 1.475 124.227 122.820 -0.113 0.000 1.855 290 A HA -0.145 4.176 4.320 0.001 0.000 0.215 290 A C 2.569 180.060 177.584 -0.154 0.000 1.191 290 A CA 1.617 53.645 52.037 -0.015 0.000 0.613 290 A CB -0.920 18.077 19.000 -0.005 0.000 0.829 290 A HN 0.232 nan 8.150 nan 0.000 0.442 291 V N -1.689 117.862 119.914 -0.604 0.000 2.759 291 V HA -0.101 4.020 4.120 0.001 0.000 0.256 291 V C 1.905 177.726 176.094 -0.455 0.000 1.080 291 V CA 2.208 64.044 62.300 -0.774 0.000 1.101 291 V CB -1.745 29.045 31.823 -1.722 0.000 0.698 291 V HN 0.668 nan 8.190 nan 0.000 0.477 292 T N -2.698 111.661 114.554 -0.326 0.000 3.206 292 T HA 0.469 4.820 4.350 0.001 0.000 0.253 292 T C 1.485 176.193 174.700 0.014 0.000 1.042 292 T CA 0.455 62.490 62.100 -0.107 0.000 0.931 292 T CB -0.145 68.679 68.868 -0.073 0.000 1.029 292 T HN 1.584 nan 8.240 nan 0.000 0.564 293 G N 2.160 110.979 108.800 0.033 0.000 2.198 293 G HA2 -0.304 3.656 3.960 0.001 0.000 0.260 293 G HA3 -0.304 3.656 3.960 0.001 0.000 0.260 293 G C 0.736 175.695 174.900 0.099 0.000 1.025 293 G CA 0.227 45.405 45.100 0.130 0.000 0.769 293 G HN 0.581 nan 8.290 nan 0.000 0.507 294 R N -0.825 119.708 120.500 0.056 0.000 2.362 294 R HA 0.148 4.488 4.340 0.001 0.000 0.227 294 R C 0.474 176.798 176.300 0.041 0.000 0.905 294 R CA -0.107 56.018 56.100 0.042 0.000 1.067 294 R CB 0.337 30.651 30.300 0.023 0.000 1.078 294 R HN 0.133 nan 8.270 nan 0.000 0.516 295 R N 0.449 120.988 120.500 0.064 0.000 2.358 295 R HA 0.222 4.562 4.340 0.001 0.000 0.309 295 R C -2.343 173.944 176.300 -0.021 0.000 1.026 295 R CA -2.130 53.993 56.100 0.039 0.000 0.909 295 R CB 1.360 31.765 30.300 0.175 0.000 1.153 295 R HN -0.116 nan 8.270 nan 0.000 0.515 296 P HA -0.221 nan 4.420 nan 0.000 0.216 296 P C 1.175 178.372 177.300 -0.171 0.000 1.150 296 P CA 1.185 64.237 63.100 -0.079 0.000 0.843 296 P CB 0.367 32.022 31.700 -0.076 0.000 0.787 297 E N -0.844 119.160 120.200 -0.327 0.000 2.333 297 E HA -0.194 4.156 4.350 0.001 0.000 0.198 297 E C 0.729 176.940 176.600 -0.649 0.000 1.007 297 E CA 1.341 57.428 56.400 -0.523 0.000 0.845 297 E CB -0.928 28.335 29.700 -0.728 0.000 0.766 297 E HN 0.448 nan 8.360 nan 0.000 0.507 298 Y N 0.341 120.508 120.300 -0.223 0.000 2.584 298 Y HA 0.225 4.776 4.550 0.001 0.000 0.254 298 Y C 1.760 177.562 175.900 -0.162 0.000 1.177 298 Y CA -0.569 57.308 58.100 -0.372 0.000 1.216 298 Y CB 0.696 39.013 38.460 -0.239 0.000 1.172 298 Y HN -0.103 nan 8.280 nan 0.000 0.529 299 E N 0.532 120.744 120.200 0.021 0.000 2.209 299 E HA -0.150 4.201 4.350 0.001 0.000 0.196 299 E C 2.248 178.898 176.600 0.083 0.000 0.993 299 E CA 1.019 57.477 56.400 0.096 0.000 0.819 299 E CB -0.269 29.485 29.700 0.091 0.000 0.745 299 E HN 0.643 nan 8.360 nan 0.000 0.477 300 G N -0.125 108.665 108.800 -0.016 0.000 2.498 300 G HA2 -0.207 3.754 3.960 0.001 0.000 0.219 300 G HA3 -0.207 3.754 3.960 0.001 0.000 0.219 300 G C 0.928 175.887 174.900 0.099 0.000 1.119 300 G CA 0.186 45.285 45.100 -0.002 0.000 0.766 300 G HN 0.235 nan 8.290 nan 0.000 0.552 301 W N -0.193 121.102 121.300 -0.009 0.000 2.905 301 W HA 0.417 5.077 4.660 0.001 0.000 0.251 301 W C 0.086 176.489 176.519 -0.193 0.000 1.305 301 W CA -0.520 56.727 57.345 -0.163 0.000 1.465 301 W CB -0.334 28.999 29.460 -0.212 0.000 1.122 301 W HN -0.035 nan 8.180 nan 0.000 0.659 302 L N 0.134 121.429 121.223 0.119 0.000 2.325 302 L HA 0.354 4.695 4.340 0.001 0.000 0.279 302 L C 0.452 177.240 176.870 -0.136 0.000 1.054 302 L CA 0.206 55.009 54.840 -0.061 0.000 0.804 302 L CB 1.431 43.353 42.059 -0.228 0.000 1.200 302 L HN -0.424 nan 8.230 nan 0.000 0.436 303 T N 2.134 116.575 114.554 -0.189 0.000 2.864 303 T HA 0.418 4.768 4.350 0.001 0.000 0.310 303 T C -0.736 173.876 174.700 -0.146 0.000 1.040 303 T CA -0.341 61.700 62.100 -0.098 0.000 0.977 303 T CB -0.044 68.796 68.868 -0.047 0.000 0.976 303 T HN 0.107 nan 8.240 nan 0.000 0.459 304 Y N 1.984 122.307 120.300 0.039 0.000 2.377 304 Y HA 0.195 4.745 4.550 0.001 0.000 0.330 304 Y C 1.754 177.667 175.900 0.022 0.000 1.108 304 Y CA -0.665 57.457 58.100 0.036 0.000 1.308 304 Y CB 0.659 39.139 38.460 0.033 0.000 1.216 304 Y HN 0.503 nan 8.280 nan 0.000 0.518 305 V N -0.648 119.352 119.914 0.143 0.000 2.871 305 V HA -0.027 4.094 4.120 0.001 0.000 0.256 305 V C 0.564 176.706 176.094 0.080 0.000 1.082 305 V CA 0.729 63.078 62.300 0.082 0.000 1.105 305 V CB -0.428 31.425 31.823 0.050 0.000 0.713 305 V HN 0.629 nan 8.190 nan 0.000 0.473 306 N N 0.000 118.765 118.700 0.108 0.000 1.763 306 N HA 0.000 4.740 4.740 0.001 0.000 0.220 306 N CA 0.000 53.090 53.050 0.066 0.000 0.885 306 N CB 0.000 38.522 38.487 0.059 0.000 1.341 306 N HN 0.000 nan 8.380 nan 0.000 0.667