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 3ahy_1_B DATA FIRST_RESID 0 DATA SEQUENCE HMLPKDFQWG FATAAYQIEG AVDQDGRGPS IWDTFCAQPG KIADGSSGVT DATA SEQUENCE ACDSYNRTAE DIALLKSLGA KSYRFSISWS RIIPEGGRGD AVNQAGIDHY DATA SEQUENCE VKFVDDLLDA GITPFITLFH WDLPEGLHQR YGGLLNRTEF PLDFENYARV DATA SEQUENCE MFRALPKVRN WITFNEPLCS AIPGYGSGTF APGRQSTSEP WTVGHNILVA DATA SEQUENCE HGRAVKAYRD DFKPASGDGQ IGIVLNGDFT YPWDAADPAD KEAAERRLEF DATA SEQUENCE FTAWFADPIY LGDYPASMRK QLGDRLPTFT PEERALVHGS NDFYGMNHYT DATA SEQUENCE SNYIRHRSSP ASADDTVGNV DVLFTNKQGN CIGPETQSPW LRPCAAGFRD DATA SEQUENCE FLVWISKRYG YPPIYVTENG TSIKGESDLP KEKILEDDFR VKYYNEYIRA DATA SEQUENCE MVTAVELDGV NVKGYFAWSL MDNFEWADGY VTRFGVTYVD YENGQKRFPK DATA SEQUENCE KSAKSLKPLF DELIAA 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.277 175.328 -0.085 0.000 0.993 0 H CA 0.000 55.999 56.048 -0.082 0.000 1.023 0 H CB 0.000 29.698 29.762 -0.106 0.000 1.292 1 M N 3.069 122.690 119.600 0.035 0.000 2.322 1 M HA 0.414 4.894 4.480 -0.000 0.000 0.285 1 M C -1.813 174.458 176.300 -0.048 0.000 1.119 1 M CA -0.378 54.913 55.300 -0.015 0.000 0.953 1 M CB 2.197 34.789 32.600 -0.013 0.000 1.701 1 M HN 0.388 nan 8.290 nan 0.000 0.479 2 L N 4.503 125.677 121.223 -0.082 0.000 2.333 2 L HA 0.724 5.064 4.340 -0.000 0.000 0.269 2 L C -2.280 174.593 176.870 0.006 0.000 1.010 2 L CA -2.050 52.718 54.840 -0.120 0.000 0.818 2 L CB 2.004 43.811 42.059 -0.420 0.000 1.306 2 L HN 0.439 nan 8.230 nan 0.000 0.430 3 P HA 0.020 nan 4.420 nan 0.000 0.270 3 P C -0.123 177.269 177.300 0.153 0.000 1.223 3 P CA -0.353 62.821 63.100 0.123 0.000 0.785 3 P CB 0.457 32.251 31.700 0.157 0.000 0.923 4 K N 1.714 122.185 120.400 0.118 0.000 2.103 4 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 4 K C 0.911 177.598 176.600 0.144 0.000 1.048 4 K CA 1.975 58.332 56.287 0.117 0.000 0.930 4 K CB -0.614 31.937 32.500 0.085 0.000 0.716 4 K HN 0.412 nan 8.250 nan 0.000 0.444 5 D N 0.394 120.883 120.400 0.148 0.000 2.340 5 D HA -0.091 4.549 4.640 -0.000 0.000 0.220 5 D C 0.083 176.481 176.300 0.163 0.000 1.039 5 D CA -0.498 53.584 54.000 0.137 0.000 0.866 5 D CB -0.453 40.412 40.800 0.109 0.000 0.913 5 D HN 0.199 nan 8.370 nan 0.000 0.523 6 F N 2.313 122.302 119.950 0.065 0.000 2.623 6 F HA 0.002 4.529 4.527 -0.000 0.000 0.383 6 F C 0.478 176.293 175.800 0.026 0.000 1.077 6 F CA 0.407 58.441 58.000 0.055 0.000 1.268 6 F CB 0.499 39.546 39.000 0.079 0.000 1.053 6 F HN -0.164 nan 8.300 nan 0.000 0.571 7 Q N 7.851 127.408 119.800 -0.406 0.000 2.293 7 Q HA 0.246 4.586 4.340 -0.000 0.000 0.261 7 Q C -0.678 174.998 176.000 -0.541 0.000 0.960 7 Q CA -0.368 55.225 55.803 -0.350 0.000 0.882 7 Q CB 1.990 30.568 28.738 -0.267 0.000 1.275 7 Q HN 0.785 nan 8.270 nan 0.000 0.445 8 W N 1.107 122.029 121.300 -0.630 0.000 2.962 8 W HA 0.828 5.488 4.660 -0.000 0.000 0.341 8 W C -0.911 175.144 176.519 -0.772 0.000 1.155 8 W CA -0.837 56.008 57.345 -0.834 0.000 1.165 8 W CB 1.071 29.776 29.460 -1.258 0.000 1.435 8 W HN 0.676 nan 8.180 nan 0.000 0.546 9 G N 0.736 109.096 108.800 -0.734 0.000 2.512 9 G HA2 0.564 4.524 3.960 -0.000 0.000 0.186 9 G HA3 0.564 4.524 3.960 -0.000 0.000 0.186 9 G C -2.450 172.102 174.900 -0.580 0.000 1.189 9 G CA -0.925 43.737 45.100 -0.731 0.000 0.994 9 G HN 0.427 nan 8.290 nan 0.000 0.506 10 F N 0.370 120.489 119.950 0.281 0.000 2.603 10 F HA 0.844 5.371 4.527 -0.000 0.000 0.317 10 F C 0.473 176.564 175.800 0.485 0.000 1.066 10 F CA -0.418 57.804 58.000 0.370 0.000 0.941 10 F CB 2.541 41.703 39.000 0.270 0.000 1.291 10 F HN 0.723 nan 8.300 nan 0.000 0.472 11 A N 0.663 123.796 122.820 0.522 0.000 2.401 11 A HA 0.908 5.228 4.320 -0.000 0.000 0.310 11 A C -0.574 177.065 177.584 0.091 0.000 1.075 11 A CA -0.385 51.850 52.037 0.329 0.000 0.746 11 A CB 1.513 20.783 19.000 0.450 0.000 1.277 11 A HN 0.861 nan 8.150 nan 0.000 0.425 12 T N -2.012 112.590 114.554 0.081 0.000 2.778 12 T HA 0.891 5.241 4.350 -0.000 0.000 0.293 12 T C -0.475 174.308 174.700 0.138 0.000 1.144 12 T CA -0.178 61.883 62.100 -0.065 0.000 1.010 12 T CB 1.507 70.398 68.868 0.038 0.000 1.325 12 T HN 2.192 nan 8.240 nan 0.000 0.515 13 A N -0.387 122.443 122.820 0.016 0.000 2.475 13 A HA 0.891 5.211 4.320 -0.000 0.000 0.301 13 A C 1.167 178.697 177.584 -0.090 0.000 1.059 13 A CA -0.376 51.525 52.037 -0.227 0.000 0.710 13 A CB 1.105 19.555 19.000 -0.916 0.000 1.288 13 A HN 1.570 nan 8.150 nan 0.000 0.408 14 A N 0.791 123.620 122.820 0.014 0.000 1.859 14 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 14 A C 1.837 179.449 177.584 0.046 0.000 1.198 14 A CA 2.407 54.513 52.037 0.115 0.000 0.629 14 A CB -1.129 18.001 19.000 0.216 0.000 0.830 14 A HN 1.446 nan 8.150 nan 0.000 0.446 15 Y N 0.759 121.011 120.300 -0.079 0.000 2.352 15 Y HA -0.156 4.394 4.550 0.000 0.000 0.292 15 Y C 2.472 178.188 175.900 -0.306 0.000 1.136 15 Y CA 1.984 59.993 58.100 -0.152 0.000 1.227 15 Y CB -0.198 38.216 38.460 -0.077 0.000 0.991 15 Y HN 0.489 nan 8.280 nan 0.000 0.545 16 Q N -0.526 119.047 119.800 -0.379 0.000 2.311 16 Q HA -0.008 4.332 4.340 -0.000 0.000 0.203 16 Q C 1.723 177.592 176.000 -0.218 0.000 0.954 16 Q CA 1.645 57.203 55.803 -0.409 0.000 0.885 16 Q CB 0.125 28.603 28.738 -0.434 0.000 0.963 16 Q HN 0.765 nan 8.270 nan 0.000 0.471 17 I N -4.703 115.769 120.570 -0.163 0.000 4.624 17 I HA 0.183 4.353 4.170 -0.000 0.000 0.327 17 I C 1.524 177.595 176.117 -0.075 0.000 1.295 17 I CA -0.046 61.207 61.300 -0.079 0.000 1.267 17 I CB 0.307 38.280 38.000 -0.045 0.000 1.249 17 I HN -0.149 nan 8.210 nan 0.000 0.440 18 E N 2.366 122.511 120.200 -0.093 0.000 2.076 18 E HA 0.169 4.519 4.350 -0.000 0.000 0.190 18 E C 1.586 178.141 176.600 -0.075 0.000 0.979 18 E CA 0.935 57.312 56.400 -0.039 0.000 0.807 18 E CB -0.120 29.595 29.700 0.025 0.000 0.761 18 E HN 0.638 nan 8.360 nan 0.000 0.454 19 G N 0.943 109.640 108.800 -0.170 0.000 2.564 19 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.273 19 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.273 19 G C 0.458 175.248 174.900 -0.183 0.000 1.242 19 G CA 0.411 45.404 45.100 -0.178 0.000 0.951 19 G HN 0.978 nan 8.290 nan 0.000 0.564 20 A N -2.184 120.534 122.820 -0.170 0.000 2.596 20 A HA 0.086 4.406 4.320 -0.000 0.000 0.300 20 A C 2.352 179.765 177.584 -0.285 0.000 1.495 20 A CA 2.633 54.520 52.037 -0.249 0.000 0.769 20 A CB -2.025 16.739 19.000 -0.393 0.000 1.047 20 A HN 2.616 nan 8.150 nan 0.000 0.436 21 V N -2.597 117.216 119.914 -0.168 0.000 2.759 21 V HA -0.061 4.059 4.120 -0.000 0.000 0.256 21 V C 1.178 177.216 176.094 -0.094 0.000 1.080 21 V CA 2.257 64.498 62.300 -0.098 0.000 1.101 21 V CB -0.476 31.336 31.823 -0.019 0.000 0.698 21 V HN 0.930 nan 8.190 nan 0.000 0.477 22 D N -1.643 118.688 120.400 -0.114 0.000 2.540 22 D HA 0.148 4.788 4.640 -0.000 0.000 0.229 22 D C 0.827 177.058 176.300 -0.114 0.000 1.250 22 D CA -0.243 53.703 54.000 -0.090 0.000 0.817 22 D CB -0.208 40.559 40.800 -0.054 0.000 1.060 22 D HN 0.578 nan 8.370 nan 0.000 0.508 23 Q N 0.870 120.556 119.800 -0.189 0.000 2.340 23 Q HA 0.164 4.504 4.340 -0.000 0.000 0.249 23 Q C -0.354 175.533 176.000 -0.188 0.000 0.957 23 Q CA -0.081 55.607 55.803 -0.190 0.000 0.882 23 Q CB 0.462 29.041 28.738 -0.266 0.000 1.235 23 Q HN -0.068 nan 8.270 nan 0.000 0.439 24 D N 2.277 122.629 120.400 -0.081 0.000 2.811 24 D HA -0.215 4.425 4.640 -0.000 0.000 0.231 24 D C 0.502 176.791 176.300 -0.019 0.000 1.157 24 D CA 1.639 55.626 54.000 -0.021 0.000 0.716 24 D CB -1.451 39.370 40.800 0.035 0.000 1.077 24 D HN 0.987 nan 8.370 nan 0.000 0.428 25 G N -0.166 108.616 108.800 -0.031 0.000 2.143 25 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.249 25 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.249 25 G C 0.360 175.253 174.900 -0.012 0.000 0.981 25 G CA 0.363 45.457 45.100 -0.010 0.000 0.665 25 G HN 0.657 nan 8.290 nan 0.000 0.528 26 R N 0.823 121.294 120.500 -0.049 0.000 2.502 26 R HA 0.387 4.727 4.340 -0.000 0.000 0.292 26 R C 1.175 177.464 176.300 -0.017 0.000 0.998 26 R CA 0.665 56.745 56.100 -0.033 0.000 1.056 26 R CB -0.084 30.163 30.300 -0.089 0.000 0.939 26 R HN 0.377 nan 8.270 nan 0.000 0.411 27 G N 4.660 113.461 108.800 0.001 0.000 2.537 27 G HA2 0.337 4.297 3.960 -0.000 0.000 0.273 27 G HA3 0.337 4.297 3.960 -0.000 0.000 0.273 27 G C -2.405 172.487 174.900 -0.013 0.000 1.189 27 G CA -1.214 43.881 45.100 -0.009 0.000 0.881 27 G HN 0.539 nan 8.290 nan 0.000 0.535 28 P HA 0.201 nan 4.420 nan 0.000 0.279 28 P C 0.046 177.320 177.300 -0.044 0.000 1.239 28 P CA -0.250 62.840 63.100 -0.017 0.000 0.789 28 P CB 1.592 33.282 31.700 -0.017 0.000 0.933 29 S N 2.105 117.780 115.700 -0.042 0.000 2.730 29 S HA 0.296 4.766 4.470 -0.000 0.000 0.284 29 S C 1.636 176.180 174.600 -0.093 0.000 1.153 29 S CA -0.731 57.425 58.200 -0.073 0.000 0.995 29 S CB 0.136 63.302 63.200 -0.057 0.000 1.058 29 S HN 0.480 nan 8.310 nan 0.000 0.552 30 I N -2.855 117.639 120.570 -0.126 0.000 2.567 30 I HA 0.021 4.191 4.170 -0.000 0.000 0.257 30 I C 1.710 177.668 176.117 -0.264 0.000 1.184 30 I CA 0.906 62.065 61.300 -0.235 0.000 1.451 30 I CB -0.456 37.322 38.000 -0.369 0.000 1.089 30 I HN 0.617 nan 8.210 nan 0.000 0.441 31 W N 2.201 123.352 121.300 -0.247 0.000 2.436 31 W HA -0.053 4.607 4.660 0.000 0.000 0.284 31 W C 1.994 178.396 176.519 -0.196 0.000 1.225 31 W CA 1.352 58.545 57.345 -0.253 0.000 1.271 31 W CB -0.251 28.902 29.460 -0.511 0.000 1.114 31 W HN 0.168 nan 8.180 nan 0.000 0.559 32 D N -1.052 119.324 120.400 -0.040 0.000 2.117 32 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 32 D C 2.090 178.431 176.300 0.068 0.000 0.987 32 D CA 2.141 56.186 54.000 0.075 0.000 0.829 32 D CB -0.563 40.273 40.800 0.059 0.000 0.961 32 D HN -0.043 nan 8.370 nan 0.000 0.460 33 T N -0.117 114.445 114.554 0.014 0.000 2.777 33 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 33 T C 1.573 176.289 174.700 0.028 0.000 1.040 33 T CA 0.525 62.626 62.100 0.000 0.000 1.141 33 T CB -0.409 68.435 68.868 -0.041 0.000 0.868 33 T HN 0.089 nan 8.240 nan 0.000 0.444 34 F N 1.451 121.291 119.950 -0.183 0.000 2.134 34 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 34 F C 2.382 178.154 175.800 -0.047 0.000 1.097 34 F CA 0.423 58.292 58.000 -0.219 0.000 1.264 34 F CB -0.670 38.013 39.000 -0.528 0.000 1.001 34 F HN 0.166 nan 8.300 nan 0.000 0.479 35 C N 0.115 119.498 119.300 0.137 0.000 2.432 35 C HA 0.005 4.465 4.460 -0.000 0.000 0.282 35 C C 3.029 178.039 174.990 0.033 0.000 1.388 35 C CA 0.890 59.995 59.018 0.144 0.000 1.777 35 C CB -1.980 25.937 27.740 0.296 0.000 1.882 35 C HN 0.560 nan 8.230 nan 0.000 0.520 36 A N -0.460 122.366 122.820 0.009 0.000 2.119 36 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 36 A C 1.001 178.554 177.584 -0.052 0.000 1.153 36 A CA 0.987 53.018 52.037 -0.010 0.000 0.692 36 A CB -0.139 18.860 19.000 -0.001 0.000 0.799 36 A HN 0.617 nan 8.150 nan 0.000 0.458 37 Q N 0.895 120.624 119.800 -0.118 0.000 2.261 37 Q HA 0.348 4.688 4.340 -0.000 0.000 0.252 37 Q C -2.603 173.307 176.000 -0.151 0.000 0.915 37 Q CA -2.560 53.154 55.803 -0.149 0.000 0.915 37 Q CB 0.371 28.975 28.738 -0.222 0.000 1.204 37 Q HN 0.268 nan 8.270 nan 0.000 0.421 38 P HA 0.118 nan 4.420 nan 0.000 0.271 38 P C 0.601 177.846 177.300 -0.091 0.000 1.216 38 P CA 0.421 63.477 63.100 -0.072 0.000 0.776 38 P CB 0.775 32.449 31.700 -0.044 0.000 0.881 39 G N 2.510 111.272 108.800 -0.063 0.000 2.225 39 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.254 39 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.254 39 G C 1.148 176.007 174.900 -0.068 0.000 0.988 39 G CA 0.171 45.241 45.100 -0.049 0.000 0.625 39 G HN 0.490 nan 8.290 nan 0.000 0.527 40 K N -0.059 120.237 120.400 -0.173 0.000 2.103 40 K HA 0.188 4.508 4.320 -0.000 0.000 0.204 40 K C 1.198 177.793 176.600 -0.008 0.000 1.052 40 K CA 0.884 57.008 56.287 -0.270 0.000 0.945 40 K CB 0.128 32.045 32.500 -0.972 0.000 0.722 40 K HN 0.479 nan 8.250 nan 0.000 0.443 41 I N 0.883 121.482 120.570 0.049 0.000 2.339 41 I HA 0.192 4.362 4.170 -0.000 0.000 0.290 41 I C 1.422 177.616 176.117 0.129 0.000 0.994 41 I CA -0.886 60.522 61.300 0.179 0.000 1.191 41 I CB 0.739 38.909 38.000 0.283 0.000 1.343 41 I HN -0.080 nan 8.210 nan 0.000 0.458 42 A N 5.811 128.710 122.820 0.131 0.000 1.915 42 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 42 A C 1.399 179.037 177.584 0.089 0.000 1.198 42 A CA 2.518 54.616 52.037 0.101 0.000 0.647 42 A CB -0.560 18.501 19.000 0.103 0.000 0.825 42 A HN 0.817 nan 8.150 nan 0.000 0.456 43 D N -2.688 117.773 120.400 0.103 0.000 2.363 43 D HA 0.326 4.966 4.640 -0.000 0.000 0.214 43 D C 1.061 177.429 176.300 0.115 0.000 1.093 43 D CA 0.743 54.806 54.000 0.105 0.000 0.837 43 D CB -0.731 40.141 40.800 0.120 0.000 0.948 43 D HN 0.976 nan 8.370 nan 0.000 0.507 44 G N 0.505 109.375 108.800 0.117 0.000 2.168 44 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.257 44 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.257 44 G C 0.456 175.441 174.900 0.141 0.000 0.997 44 G CA 0.754 45.917 45.100 0.104 0.000 0.708 44 G HN 0.796 nan 8.290 nan 0.000 0.520 45 S N -0.931 114.903 115.700 0.225 0.000 2.694 45 S HA 0.905 5.375 4.470 -0.000 0.000 0.278 45 S C 0.312 175.108 174.600 0.327 0.000 1.152 45 S CA 0.673 59.051 58.200 0.296 0.000 1.010 45 S CB 2.286 65.771 63.200 0.476 0.000 1.104 45 S HN 2.021 nan 8.310 nan 0.000 0.547 46 S N -1.805 114.013 115.700 0.196 0.000 2.688 46 S HA 0.644 5.114 4.470 -0.000 0.000 0.275 46 S C 0.447 174.684 174.600 -0.604 0.000 1.175 46 S CA -0.462 57.651 58.200 -0.144 0.000 0.818 46 S CB 0.670 63.877 63.200 0.013 0.000 1.157 46 S HN 1.306 nan 8.310 nan 0.000 0.482 47 G N 0.178 108.437 108.800 -0.901 0.000 3.181 47 G HA2 0.260 4.220 3.960 -0.000 0.000 0.219 47 G HA3 0.260 4.220 3.960 -0.000 0.000 0.219 47 G C 0.999 175.568 174.900 -0.551 0.000 1.182 47 G CA 0.396 44.807 45.100 -1.149 0.000 0.791 47 G HN 0.641 nan 8.290 nan 0.000 0.537 48 V N 0.672 120.421 119.914 -0.274 0.000 2.250 48 V HA -0.241 3.879 4.120 -0.000 0.000 0.253 48 V C 2.927 178.924 176.094 -0.161 0.000 1.065 48 V CA 2.814 65.019 62.300 -0.157 0.000 1.039 48 V CB -0.164 31.606 31.823 -0.087 0.000 0.647 48 V HN 0.459 nan 8.190 nan 0.000 0.446 49 T N -2.906 111.551 114.554 -0.162 0.000 3.056 49 T HA 0.497 4.847 4.350 -0.000 0.000 0.243 49 T C 1.129 175.752 174.700 -0.128 0.000 0.995 49 T CA 0.953 62.971 62.100 -0.136 0.000 1.091 49 T CB 0.444 69.236 68.868 -0.127 0.000 0.990 49 T HN 0.841 nan 8.240 nan 0.000 0.464 50 A N 0.817 123.558 122.820 -0.132 0.000 5.395 50 A HA -0.308 4.012 4.320 -0.000 0.000 0.324 50 A C 1.725 179.345 177.584 0.060 0.000 1.813 50 A CA 1.619 53.655 52.037 -0.002 0.000 0.714 50 A CB -1.776 17.185 19.000 -0.065 0.000 1.374 50 A HN 0.634 nan 8.150 nan 0.000 0.390 51 C N -0.159 119.186 119.300 0.076 0.000 2.673 51 C HA 0.459 4.919 4.460 -0.000 0.000 0.274 51 C C 1.056 176.031 174.990 -0.024 0.000 1.276 51 C CA 0.983 60.029 59.018 0.047 0.000 1.701 51 C CB -1.190 26.563 27.740 0.022 0.000 1.836 51 C HN 1.057 nan 8.230 nan 0.000 0.596 52 D N 0.668 121.047 120.400 -0.035 0.000 2.811 52 D HA -0.181 4.459 4.640 -0.000 0.000 0.231 52 D C 1.215 177.499 176.300 -0.027 0.000 1.157 52 D CA 0.977 54.955 54.000 -0.036 0.000 0.716 52 D CB -1.084 39.691 40.800 -0.041 0.000 1.077 52 D HN 0.416 nan 8.370 nan 0.000 0.428 53 S N -1.360 114.321 115.700 -0.033 0.000 2.419 53 S HA -0.192 4.278 4.470 -0.000 0.000 0.233 53 S C 1.412 175.980 174.600 -0.053 0.000 1.016 53 S CA 0.952 59.119 58.200 -0.055 0.000 0.974 53 S CB -0.327 62.836 63.200 -0.061 0.000 0.786 53 S HN 0.625 nan 8.310 nan 0.000 0.492 54 Y N 2.716 122.933 120.300 -0.138 0.000 2.241 54 Y HA -0.133 4.417 4.550 0.000 0.000 0.286 54 Y C 1.539 177.388 175.900 -0.086 0.000 1.166 54 Y CA 1.383 59.384 58.100 -0.165 0.000 1.203 54 Y CB -0.089 38.217 38.460 -0.257 0.000 0.977 54 Y HN 0.243 nan 8.280 nan 0.000 0.529 55 N N -0.001 118.710 118.700 0.019 0.000 2.235 55 N HA 0.116 4.856 4.740 -0.000 0.000 0.209 55 N C -0.087 175.385 175.510 -0.063 0.000 1.122 55 N CA 0.303 53.339 53.050 -0.023 0.000 0.845 55 N CB 0.290 38.793 38.487 0.026 0.000 1.004 55 N HN 0.399 nan 8.380 nan 0.000 0.499 56 R N 0.036 120.484 120.500 -0.086 0.000 2.661 56 R HA 0.100 4.440 4.340 -0.000 0.000 0.429 56 R C 1.227 177.468 176.300 -0.099 0.000 1.044 56 R CA 0.069 56.114 56.100 -0.091 0.000 1.065 56 R CB 0.195 30.441 30.300 -0.091 0.000 1.377 56 R HN 0.106 nan 8.270 nan 0.000 0.600 57 T N -1.944 112.544 114.554 -0.110 0.000 2.720 57 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 57 T C 2.078 176.781 174.700 0.006 0.000 1.037 57 T CA 1.496 63.572 62.100 -0.041 0.000 1.144 57 T CB -0.018 68.837 68.868 -0.023 0.000 0.864 57 T HN 0.249 nan 8.240 nan 0.000 0.444 58 A N 1.938 124.732 122.820 -0.043 0.000 1.902 58 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 58 A C 2.266 179.804 177.584 -0.078 0.000 1.181 58 A CA 1.863 53.864 52.037 -0.059 0.000 0.623 58 A CB -0.773 18.189 19.000 -0.062 0.000 0.818 58 A HN 0.609 nan 8.150 nan 0.000 0.443 59 E N 0.398 120.546 120.200 -0.087 0.000 2.077 59 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 59 E C 1.583 178.107 176.600 -0.127 0.000 0.989 59 E CA 1.386 57.721 56.400 -0.108 0.000 0.800 59 E CB -0.235 29.395 29.700 -0.117 0.000 0.746 59 E HN 0.553 nan 8.360 nan 0.000 0.452 60 D N 0.209 120.535 120.400 -0.122 0.000 2.117 60 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 60 D C 1.935 178.118 176.300 -0.195 0.000 0.987 60 D CA 0.857 54.761 54.000 -0.160 0.000 0.829 60 D CB -0.170 40.549 40.800 -0.135 0.000 0.961 60 D HN 0.188 nan 8.370 nan 0.000 0.460 61 I N 0.957 121.440 120.570 -0.146 0.000 2.252 61 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 61 I C 2.438 178.459 176.117 -0.160 0.000 1.102 61 I CA 0.918 62.107 61.300 -0.186 0.000 1.385 61 I CB -0.254 37.641 38.000 -0.175 0.000 1.064 61 I HN -0.069 nan 8.210 nan 0.000 0.414 62 A N 0.882 123.625 122.820 -0.129 0.000 1.908 62 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 62 A C 2.268 179.783 177.584 -0.116 0.000 1.181 62 A CA 1.707 53.679 52.037 -0.109 0.000 0.627 62 A CB -0.826 18.116 19.000 -0.096 0.000 0.818 62 A HN 0.395 nan 8.150 nan 0.000 0.445 63 L N -0.278 120.858 121.223 -0.144 0.000 1.994 63 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 63 L C 2.328 179.099 176.870 -0.164 0.000 1.071 63 L CA 1.807 56.552 54.840 -0.159 0.000 0.745 63 L CB -0.574 41.366 42.059 -0.200 0.000 0.892 63 L HN 0.404 nan 8.230 nan 0.000 0.431 64 L N -0.450 120.653 121.223 -0.201 0.000 2.043 64 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 64 L C 2.707 179.528 176.870 -0.082 0.000 1.075 64 L CA 1.858 56.601 54.840 -0.161 0.000 0.752 64 L CB -0.606 41.317 42.059 -0.227 0.000 0.891 64 L HN 0.329 nan 8.230 nan 0.000 0.432 65 K N -0.164 120.179 120.400 -0.094 0.000 2.057 65 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 65 K C 2.374 178.962 176.600 -0.021 0.000 1.049 65 K CA 1.683 57.934 56.287 -0.061 0.000 0.931 65 K CB -0.061 32.398 32.500 -0.069 0.000 0.714 65 K HN 0.372 nan 8.250 nan 0.000 0.440 66 S N 0.570 116.254 115.700 -0.027 0.000 2.419 66 S HA -0.107 4.363 4.470 -0.000 0.000 0.233 66 S C 1.789 176.421 174.600 0.054 0.000 1.016 66 S CA 0.916 59.117 58.200 0.002 0.000 0.974 66 S CB -0.352 62.835 63.200 -0.021 0.000 0.786 66 S HN 0.313 nan 8.310 nan 0.000 0.492 67 L N 0.718 121.985 121.223 0.074 0.000 2.558 67 L HA 0.328 4.668 4.340 -0.000 0.000 0.225 67 L C 1.929 179.006 176.870 0.346 0.000 1.128 67 L CA 0.360 55.326 54.840 0.208 0.000 0.868 67 L CB -0.679 41.503 42.059 0.205 0.000 1.006 67 L HN 0.603 nan 8.230 nan 0.000 0.454 68 G N 0.398 109.310 108.800 0.186 0.000 2.143 68 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.249 68 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.249 68 G C 0.484 175.274 174.900 -0.184 0.000 0.981 68 G CA 0.009 45.197 45.100 0.147 0.000 0.665 68 G HN 0.506 nan 8.290 nan 0.000 0.528 69 A N -0.149 122.487 122.820 -0.306 0.000 2.567 69 A HA 0.475 4.795 4.320 -0.000 0.000 0.240 69 A C 1.380 178.582 177.584 -0.637 0.000 1.053 69 A CA 1.473 53.059 52.037 -0.751 0.000 0.755 69 A CB 0.211 19.120 19.000 -0.150 0.000 0.978 69 A HN 0.518 nan 8.150 nan 0.000 0.507 70 K N 1.069 120.918 120.400 -0.918 0.000 2.211 70 K HA 0.094 4.414 4.320 -0.000 0.000 0.201 70 K C 0.171 176.600 176.600 -0.285 0.000 1.052 70 K CA 1.008 56.984 56.287 -0.518 0.000 0.973 70 K CB 0.117 32.283 32.500 -0.557 0.000 0.766 70 K HN 0.602 nan 8.250 nan 0.000 0.466 71 S N -0.655 114.860 115.700 -0.308 0.000 2.618 71 S HA 0.422 4.892 4.470 -0.000 0.000 0.277 71 S C -1.921 172.833 174.600 0.257 0.000 1.138 71 S CA -0.763 57.444 58.200 0.011 0.000 0.844 71 S CB 1.609 64.811 63.200 0.002 0.000 1.127 71 S HN 0.187 nan 8.310 nan 0.000 0.474 72 Y N 1.858 122.348 120.300 0.317 0.000 2.361 72 Y HA 0.549 5.099 4.550 0.000 0.000 0.328 72 Y C -0.701 175.446 175.900 0.411 0.000 1.044 72 Y CA -0.819 57.506 58.100 0.376 0.000 1.085 72 Y CB 1.038 39.659 38.460 0.268 0.000 1.194 72 Y HN 0.688 nan 8.280 nan 0.000 0.438 73 R N 7.339 127.754 120.500 -0.141 0.000 2.294 73 R HA 0.612 4.952 4.340 -0.000 0.000 0.319 73 R C -1.727 174.313 176.300 -0.433 0.000 0.984 73 R CA -0.345 55.512 56.100 -0.405 0.000 0.861 73 R CB 0.482 30.363 30.300 -0.699 0.000 1.104 73 R HN 0.639 nan 8.270 nan 0.000 0.451 74 F N 0.518 120.207 119.950 -0.436 0.000 2.664 74 F HA 0.611 5.138 4.527 0.000 0.000 0.317 74 F C -1.066 174.689 175.800 -0.074 0.000 1.108 74 F CA -1.118 56.715 58.000 -0.278 0.000 0.957 74 F CB 1.407 40.262 39.000 -0.243 0.000 1.365 74 F HN 0.427 nan 8.300 nan 0.000 0.475 75 S N 1.586 117.347 115.700 0.103 0.000 2.607 75 S HA 0.758 5.228 4.470 -0.000 0.000 0.303 75 S C -1.047 173.614 174.600 0.101 0.000 1.086 75 S CA -0.785 57.434 58.200 0.032 0.000 0.995 75 S CB 1.607 64.880 63.200 0.122 0.000 1.084 75 S HN 0.639 nan 8.310 nan 0.000 0.507 76 I N 2.504 123.046 120.570 -0.047 0.000 2.353 76 I HA 0.316 4.486 4.170 -0.000 0.000 0.293 76 I C 0.710 176.898 176.117 0.119 0.000 0.992 76 I CA -0.276 60.888 61.300 -0.227 0.000 1.268 76 I CB 1.215 39.058 38.000 -0.262 0.000 1.387 76 I HN 0.851 nan 8.210 nan 0.000 0.478 77 S N 6.503 122.355 115.700 0.252 0.000 2.430 77 S HA 0.021 4.491 4.470 -0.000 0.000 0.282 77 S C 0.911 175.705 174.600 0.322 0.000 1.186 77 S CA -0.428 57.951 58.200 0.298 0.000 1.060 77 S CB 0.052 63.440 63.200 0.313 0.000 0.966 77 S HN 0.625 nan 8.310 nan 0.000 0.501 78 W N 4.975 126.271 121.300 -0.006 0.000 2.338 78 W HA -0.153 4.507 4.660 -0.000 0.000 0.304 78 W C 2.113 178.559 176.519 -0.122 0.000 1.212 78 W CA 1.878 59.040 57.345 -0.305 0.000 1.264 78 W CB -1.246 27.840 29.460 -0.623 0.000 1.142 78 W HN 0.845 nan 8.180 nan 0.000 0.512 79 S N 0.119 115.914 115.700 0.159 0.000 2.603 79 S HA -0.029 4.441 4.470 -0.000 0.000 0.229 79 S C 1.709 176.384 174.600 0.126 0.000 0.972 79 S CA 0.601 58.843 58.200 0.071 0.000 0.935 79 S CB -0.406 62.782 63.200 -0.020 0.000 0.769 79 S HN 0.356 nan 8.310 nan 0.000 0.536 80 R N -0.035 120.587 120.500 0.202 0.000 2.210 80 R HA 0.251 4.591 4.340 -0.000 0.000 0.203 80 R C 1.340 177.791 176.300 0.252 0.000 1.010 80 R CA 0.570 56.794 56.100 0.206 0.000 1.008 80 R CB -0.080 30.395 30.300 0.291 0.000 0.923 80 R HN 0.411 nan 8.270 nan 0.000 0.469 81 I N 0.320 121.074 120.570 0.308 0.000 2.556 81 I HA 0.063 4.232 4.170 -0.000 0.000 0.251 81 I C 0.988 177.262 176.117 0.261 0.000 1.105 81 I CA 1.000 62.487 61.300 0.311 0.000 1.436 81 I CB 0.000 38.238 38.000 0.396 0.000 1.139 81 I HN -0.039 nan 8.210 nan 0.000 0.438 82 I N 1.645 122.395 120.570 0.299 0.000 2.563 82 I HA 0.202 4.371 4.170 -0.000 0.000 0.276 82 I C -1.860 174.346 176.117 0.149 0.000 1.074 82 I CA -1.349 60.096 61.300 0.242 0.000 1.124 82 I CB 1.854 40.053 38.000 0.332 0.000 1.225 82 I HN -0.193 nan 8.210 nan 0.000 0.482 83 P HA -0.195 nan 4.420 nan 0.000 0.216 83 P C 1.266 178.558 177.300 -0.014 0.000 1.154 83 P CA 1.446 64.568 63.100 0.037 0.000 0.865 83 P CB 0.338 32.060 31.700 0.037 0.000 0.789 84 E N -2.296 117.903 120.200 -0.002 0.000 2.230 84 E HA 0.029 4.379 4.350 -0.000 0.000 0.192 84 E C 1.691 178.242 176.600 -0.082 0.000 0.987 84 E CA 1.188 57.567 56.400 -0.035 0.000 0.841 84 E CB -0.148 29.551 29.700 -0.002 0.000 0.783 84 E HN 0.255 nan 8.360 nan 0.000 0.481 85 G N 0.526 109.306 108.800 -0.032 0.000 2.313 85 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.215 85 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.215 85 G C 0.685 175.737 174.900 0.254 0.000 1.023 85 G CA -0.014 45.040 45.100 -0.077 0.000 0.626 85 G HN 0.528 nan 8.290 nan 0.000 0.503 86 G N -0.022 108.891 108.800 0.188 0.000 2.504 86 G HA2 0.536 4.496 3.960 -0.000 0.000 0.288 86 G HA3 0.536 4.496 3.960 -0.000 0.000 0.288 86 G C 1.025 176.056 174.900 0.217 0.000 1.182 86 G CA 0.382 45.630 45.100 0.247 0.000 0.894 86 G HN 0.837 nan 8.290 nan 0.000 0.521 87 R N -0.252 120.365 120.500 0.194 0.000 2.193 87 R HA -0.005 4.335 4.340 -0.000 0.000 0.229 87 R C 1.536 177.898 176.300 0.103 0.000 1.110 87 R CA 1.263 57.442 56.100 0.131 0.000 0.988 87 R CB -0.080 30.278 30.300 0.097 0.000 0.871 87 R HN 0.455 nan 8.270 nan 0.000 0.458 88 G N 0.545 109.409 108.800 0.106 0.000 3.233 88 G HA2 0.050 4.010 3.960 -0.000 0.000 0.234 88 G HA3 0.050 4.010 3.960 -0.000 0.000 0.234 88 G C -0.509 174.439 174.900 0.080 0.000 1.137 88 G CA -0.360 44.790 45.100 0.083 0.000 0.763 88 G HN 0.189 nan 8.290 nan 0.000 0.549 89 D N 0.548 121.005 120.400 0.095 0.000 2.332 89 D HA 0.511 5.151 4.640 -0.000 0.000 0.252 89 D C 0.335 176.685 176.300 0.084 0.000 1.050 89 D CA -0.240 53.810 54.000 0.084 0.000 0.970 89 D CB 1.764 42.617 40.800 0.088 0.000 1.141 89 D HN 0.095 nan 8.370 nan 0.000 0.485 90 A N 0.794 123.657 122.820 0.072 0.000 2.488 90 A HA 0.319 4.639 4.320 -0.000 0.000 0.249 90 A C 0.145 177.782 177.584 0.088 0.000 1.083 90 A CA -0.370 51.709 52.037 0.071 0.000 0.768 90 A CB 0.188 19.222 19.000 0.057 0.000 1.017 90 A HN 0.314 nan 8.150 nan 0.000 0.496 91 V N 2.919 122.888 119.914 0.091 0.000 2.607 91 V HA 0.136 4.256 4.120 -0.000 0.000 0.289 91 V C 0.500 176.655 176.094 0.102 0.000 1.053 91 V CA -0.421 61.944 62.300 0.109 0.000 0.996 91 V CB 1.265 33.148 31.823 0.101 0.000 0.995 91 V HN 0.932 nan 8.190 nan 0.000 0.476 92 N N 2.795 121.568 118.700 0.121 0.000 2.589 92 N HA 0.202 4.942 4.740 -0.000 0.000 0.232 92 N C 0.726 176.312 175.510 0.127 0.000 1.015 92 N CA -0.307 52.810 53.050 0.113 0.000 0.931 92 N CB 1.258 39.813 38.487 0.114 0.000 1.150 92 N HN 0.572 nan 8.380 nan 0.000 0.512 93 Q N 2.916 122.780 119.800 0.106 0.000 2.226 93 Q HA 0.058 4.398 4.340 -0.000 0.000 0.204 93 Q C 1.510 177.583 176.000 0.121 0.000 0.975 93 Q CA 1.636 57.504 55.803 0.109 0.000 0.866 93 Q CB -0.138 28.651 28.738 0.084 0.000 0.915 93 Q HN 0.757 nan 8.270 nan 0.000 0.440 94 A N -0.814 122.074 122.820 0.115 0.000 1.929 94 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 94 A C 2.198 179.883 177.584 0.169 0.000 1.176 94 A CA 1.399 53.509 52.037 0.122 0.000 0.628 94 A CB -1.004 18.057 19.000 0.101 0.000 0.816 94 A HN 0.479 nan 8.150 nan 0.000 0.444 95 G N 0.288 109.200 108.800 0.187 0.000 2.421 95 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 95 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 95 G C 1.523 176.634 174.900 0.351 0.000 1.171 95 G CA 1.109 46.363 45.100 0.257 0.000 0.775 95 G HN 0.456 nan 8.290 nan 0.000 0.543 96 I N 1.235 121.986 120.570 0.300 0.000 2.151 96 I HA -0.195 3.975 4.170 -0.000 0.000 0.243 96 I C 2.310 178.591 176.117 0.273 0.000 1.080 96 I CA 1.460 62.942 61.300 0.303 0.000 1.339 96 I CB -0.245 37.876 38.000 0.201 0.000 1.039 96 I HN 0.066 nan 8.210 nan 0.000 0.409 97 D N -0.493 120.024 120.400 0.195 0.000 2.144 97 D HA -0.239 4.401 4.640 -0.000 0.000 0.199 97 D C 1.940 178.307 176.300 0.112 0.000 0.984 97 D CA 1.437 55.520 54.000 0.138 0.000 0.834 97 D CB -0.503 40.359 40.800 0.105 0.000 0.955 97 D HN 0.476 nan 8.370 nan 0.000 0.465 98 H N -0.488 118.583 119.070 0.001 0.000 2.319 98 H HA -0.193 4.363 4.556 -0.000 0.000 0.299 98 H C 1.644 176.900 175.328 -0.120 0.000 1.092 98 H CA 1.812 57.755 56.048 -0.176 0.000 1.302 98 H CB -0.299 29.247 29.762 -0.359 0.000 1.373 98 H HN 0.168 nan 8.280 nan 0.000 0.497 99 Y N -0.914 119.462 120.300 0.127 0.000 2.337 99 Y HA -0.067 4.483 4.550 -0.000 0.000 0.293 99 Y C 2.749 178.739 175.900 0.151 0.000 1.123 99 Y CA 0.889 59.087 58.100 0.164 0.000 1.201 99 Y CB -0.373 38.275 38.460 0.314 0.000 1.011 99 Y HN 0.086 nan 8.280 nan 0.000 0.545 100 V N 0.562 120.629 119.914 0.255 0.000 2.287 100 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 100 V C 2.413 178.563 176.094 0.093 0.000 1.053 100 V CA 2.296 64.695 62.300 0.166 0.000 1.027 100 V CB -0.546 31.357 31.823 0.134 0.000 0.646 100 V HN 0.336 nan 8.190 nan 0.000 0.447 101 K N -0.704 119.721 120.400 0.042 0.000 2.057 101 K HA -0.211 4.109 4.320 -0.000 0.000 0.206 101 K C 2.135 178.724 176.600 -0.018 0.000 1.050 101 K CA 1.718 57.998 56.287 -0.011 0.000 0.935 101 K CB -0.293 32.176 32.500 -0.051 0.000 0.715 101 K HN 0.359 nan 8.250 nan 0.000 0.439 102 F N 1.174 120.997 119.950 -0.211 0.000 2.134 102 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 102 F C 1.782 177.515 175.800 -0.112 0.000 1.097 102 F CA 1.172 59.028 58.000 -0.241 0.000 1.264 102 F CB -0.356 38.419 39.000 -0.374 0.000 1.001 102 F HN -0.194 nan 8.300 nan 0.000 0.479 103 V N 0.262 120.157 119.914 -0.031 0.000 2.407 103 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 103 V C 2.098 178.125 176.094 -0.112 0.000 1.055 103 V CA 2.173 64.436 62.300 -0.061 0.000 1.049 103 V CB -0.680 31.198 31.823 0.093 0.000 0.662 103 V HN 0.253 nan 8.190 nan 0.000 0.455 104 D N -0.014 120.345 120.400 -0.069 0.000 2.144 104 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 104 D C 1.910 178.143 176.300 -0.111 0.000 0.984 104 D CA 1.260 55.221 54.000 -0.065 0.000 0.834 104 D CB -0.277 40.504 40.800 -0.032 0.000 0.955 104 D HN 0.417 nan 8.370 nan 0.000 0.465 105 D N 0.080 120.383 120.400 -0.161 0.000 2.144 105 D HA -0.061 4.579 4.640 -0.000 0.000 0.200 105 D C 2.353 178.506 176.300 -0.245 0.000 0.978 105 D CA 0.254 54.142 54.000 -0.187 0.000 0.833 105 D CB -0.202 40.491 40.800 -0.178 0.000 0.961 105 D HN 0.233 nan 8.370 nan 0.000 0.470 106 L N 0.234 121.239 121.223 -0.363 0.000 2.017 106 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 106 L C 2.538 179.307 176.870 -0.168 0.000 1.073 106 L CA 0.728 55.378 54.840 -0.316 0.000 0.745 106 L CB -0.337 41.504 42.059 -0.363 0.000 0.894 106 L HN 0.031 nan 8.230 nan 0.000 0.432 107 L N -0.580 120.564 121.223 -0.131 0.000 2.083 107 L HA -0.244 4.096 4.340 -0.000 0.000 0.209 107 L C 2.182 179.008 176.870 -0.073 0.000 1.083 107 L CA 1.044 55.836 54.840 -0.080 0.000 0.752 107 L CB -0.642 41.382 42.059 -0.059 0.000 0.899 107 L HN 0.285 nan 8.230 nan 0.000 0.433 108 D N 0.278 120.628 120.400 -0.083 0.000 2.178 108 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 108 D C 2.079 178.336 176.300 -0.072 0.000 0.980 108 D CA 1.419 55.377 54.000 -0.069 0.000 0.842 108 D CB 0.033 40.791 40.800 -0.071 0.000 0.948 108 D HN 0.311 nan 8.370 nan 0.000 0.472 109 A N -0.325 122.438 122.820 -0.095 0.000 2.235 109 A HA 0.364 4.684 4.320 -0.000 0.000 0.208 109 A C 1.710 179.248 177.584 -0.076 0.000 1.172 109 A CA 1.059 53.041 52.037 -0.091 0.000 0.786 109 A CB -0.308 18.619 19.000 -0.122 0.000 0.804 109 A HN 0.245 nan 8.150 nan 0.000 0.479 110 G N -0.926 107.833 108.800 -0.067 0.000 2.160 110 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.244 110 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.244 110 G C -0.048 174.817 174.900 -0.058 0.000 1.022 110 G CA 0.429 45.497 45.100 -0.053 0.000 0.741 110 G HN 0.509 nan 8.290 nan 0.000 0.508 111 I N 0.965 121.497 120.570 -0.064 0.000 2.404 111 I HA 0.354 4.524 4.170 -0.000 0.000 0.293 111 I C 0.387 176.507 176.117 0.005 0.000 0.992 111 I CA -0.756 60.516 61.300 -0.046 0.000 1.149 111 I CB 2.002 39.966 38.000 -0.060 0.000 1.315 111 I HN -0.008 nan 8.210 nan 0.000 0.446 112 T N 7.685 122.273 114.554 0.057 0.000 2.749 112 T HA 0.267 4.617 4.350 -0.000 0.000 0.295 112 T C -2.403 172.430 174.700 0.222 0.000 0.936 112 T CA -1.082 61.083 62.100 0.108 0.000 1.060 112 T CB 0.602 69.560 68.868 0.150 0.000 0.904 112 T HN 0.328 nan 8.240 nan 0.000 0.500 113 P HA 0.379 nan 4.420 nan 0.000 0.280 113 P C -1.062 176.227 177.300 -0.018 0.000 1.244 113 P CA -0.524 62.684 63.100 0.180 0.000 0.784 113 P CB 0.481 32.262 31.700 0.134 0.000 0.913 114 F N 2.752 122.529 119.950 -0.289 0.000 2.496 114 F HA 0.440 4.967 4.527 -0.000 0.000 0.341 114 F C 0.329 175.723 175.800 -0.676 0.000 1.134 114 F CA -0.552 57.153 58.000 -0.492 0.000 0.968 114 F CB 1.125 39.800 39.000 -0.542 0.000 1.205 114 F HN 0.087 nan 8.300 nan 0.000 0.436 115 I N 3.372 123.549 120.570 -0.655 0.000 2.378 115 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 115 I C -0.254 175.655 176.117 -0.347 0.000 0.992 115 I CA -0.461 60.383 61.300 -0.760 0.000 1.154 115 I CB 1.854 39.291 38.000 -0.938 0.000 1.315 115 I HN 0.407 nan 8.210 nan 0.000 0.448 116 T N 7.043 121.442 114.554 -0.259 0.000 2.744 116 T HA 0.345 4.695 4.350 -0.000 0.000 0.291 116 T C 1.303 176.018 174.700 0.026 0.000 0.957 116 T CA -0.401 61.679 62.100 -0.033 0.000 1.002 116 T CB 1.319 70.218 68.868 0.051 0.000 0.919 116 T HN 0.414 nan 8.240 nan 0.000 0.468 117 L N 2.109 123.388 121.223 0.094 0.000 2.179 117 L HA 0.276 4.616 4.340 -0.000 0.000 0.208 117 L C 0.469 177.572 176.870 0.388 0.000 1.096 117 L CA 0.927 55.842 54.840 0.124 0.000 0.779 117 L CB 0.061 42.068 42.059 -0.087 0.000 0.922 117 L HN 0.521 nan 8.230 nan 0.000 0.443 118 F N -0.875 119.156 119.950 0.134 0.000 2.577 118 F HA 0.299 4.826 4.527 0.000 0.000 0.344 118 F C -0.006 175.905 175.800 0.185 0.000 1.145 118 F CA -0.732 57.382 58.000 0.190 0.000 0.996 118 F CB 0.745 39.676 39.000 -0.115 0.000 1.248 118 F HN -0.117 nan 8.300 nan 0.000 0.447 119 H N 6.310 125.305 119.070 -0.125 0.000 2.474 119 H HA 0.221 4.777 4.556 -0.000 0.000 0.250 119 H C -0.608 174.529 175.328 -0.318 0.000 1.307 119 H CA 0.037 55.965 56.048 -0.199 0.000 1.058 119 H CB 0.059 29.727 29.762 -0.156 0.000 1.693 119 H HN 0.782 nan 8.280 nan 0.000 0.552 120 W N -0.389 120.498 121.300 -0.687 0.000 1.128 120 W HA -0.238 4.422 4.660 0.000 0.000 0.234 120 W C 0.016 176.300 176.519 -0.393 0.000 0.970 120 W CA 0.789 57.836 57.345 -0.497 0.000 0.378 120 W CB -1.990 27.248 29.460 -0.371 0.000 1.973 120 W HN 0.574 nan 8.180 nan 0.000 1.173 121 D N 1.554 121.818 120.400 -0.225 0.000 2.934 121 D HA 0.354 4.994 4.640 -0.000 0.000 0.237 121 D C 0.443 176.700 176.300 -0.071 0.000 1.158 121 D CA -0.220 53.762 54.000 -0.030 0.000 0.971 121 D CB -0.709 40.116 40.800 0.042 0.000 1.123 121 D HN 0.127 nan 8.370 nan 0.000 0.467 122 L N 0.767 121.996 121.223 0.010 0.000 2.540 122 L HA 0.176 4.516 4.340 -0.000 0.000 0.276 122 L C -2.325 174.451 176.870 -0.156 0.000 1.212 122 L CA -1.026 53.869 54.840 0.091 0.000 0.893 122 L CB 0.157 42.354 42.059 0.230 0.000 1.138 122 L HN -0.028 nan 8.230 nan 0.000 0.491 123 P HA -0.011 nan 4.420 nan 0.000 0.264 123 P C 0.024 177.194 177.300 -0.218 0.000 1.193 123 P CA 0.170 63.059 63.100 -0.351 0.000 0.763 123 P CB 0.705 32.061 31.700 -0.573 0.000 0.810 124 E N 3.679 123.796 120.200 -0.139 0.000 2.160 124 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 124 E C 2.145 178.698 176.600 -0.079 0.000 0.991 124 E CA 2.221 58.572 56.400 -0.082 0.000 0.810 124 E CB -1.025 28.638 29.700 -0.062 0.000 0.742 124 E HN 0.569 nan 8.360 nan 0.000 0.466 125 G N 0.558 109.286 108.800 -0.119 0.000 2.442 125 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 125 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 125 G C 1.535 176.313 174.900 -0.203 0.000 1.141 125 G CA 1.037 46.061 45.100 -0.126 0.000 0.763 125 G HN 0.327 nan 8.290 nan 0.000 0.554 126 L N -0.703 120.355 121.223 -0.274 0.000 2.109 126 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 126 L C 2.579 179.128 176.870 -0.534 0.000 1.086 126 L CA 1.220 55.758 54.840 -0.503 0.000 0.760 126 L CB -0.532 41.314 42.059 -0.355 0.000 0.910 126 L HN 0.283 nan 8.230 nan 0.000 0.437 127 H N 0.110 118.991 119.070 -0.315 0.000 2.321 127 H HA -0.160 4.396 4.556 0.000 0.000 0.300 127 H C 2.350 177.569 175.328 -0.183 0.000 1.087 127 H CA 1.630 57.556 56.048 -0.204 0.000 1.319 127 H CB 0.237 29.919 29.762 -0.134 0.000 1.379 127 H HN 0.159 nan 8.280 nan 0.000 0.501 128 Q N 0.232 119.913 119.800 -0.199 0.000 2.123 128 Q HA -0.106 4.234 4.340 -0.000 0.000 0.199 128 Q C 2.514 178.396 176.000 -0.197 0.000 0.966 128 Q CA 1.250 56.939 55.803 -0.189 0.000 0.845 128 Q CB -0.275 28.412 28.738 -0.085 0.000 0.907 128 Q HN 0.521 nan 8.270 nan 0.000 0.439 129 R N 0.111 120.464 120.500 -0.244 0.000 2.066 129 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 129 R C 1.050 177.312 176.300 -0.063 0.000 1.131 129 R CA 1.778 57.778 56.100 -0.167 0.000 0.955 129 R CB 0.114 30.303 30.300 -0.185 0.000 0.851 129 R HN 0.434 nan 8.270 nan 0.000 0.432 130 Y N -4.632 115.646 120.300 -0.036 0.000 2.825 130 Y HA 0.458 5.008 4.550 -0.000 0.000 0.259 130 Y C 0.466 176.336 175.900 -0.050 0.000 1.113 130 Y CA -0.235 57.850 58.100 -0.024 0.000 1.241 130 Y CB 0.682 39.154 38.460 0.021 0.000 1.331 130 Y HN 0.160 nan 8.280 nan 0.000 0.570 131 G N 0.505 109.262 108.800 -0.071 0.000 2.141 131 G HA2 0.012 3.972 3.960 -0.000 0.000 0.242 131 G HA3 0.012 3.972 3.960 -0.000 0.000 0.242 131 G C 1.220 176.137 174.900 0.028 0.000 0.982 131 G CA 0.291 45.331 45.100 -0.099 0.000 0.662 131 G HN 1.575 nan 8.290 nan 0.000 0.527 132 G N 0.110 108.914 108.800 0.007 0.000 2.665 132 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.326 132 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.326 132 G C 1.266 176.237 174.900 0.118 0.000 1.231 132 G CA 1.109 46.277 45.100 0.113 0.000 0.992 132 G HN 1.300 nan 8.290 nan 0.000 0.549 133 L N 0.938 122.072 121.223 -0.148 0.000 2.450 133 L HA 0.111 4.451 4.340 -0.000 0.000 0.224 133 L C 2.713 179.363 176.870 -0.367 0.000 1.149 133 L CA 0.576 55.087 54.840 -0.548 0.000 0.816 133 L CB -0.395 41.322 42.059 -0.571 0.000 0.932 133 L HN 0.401 nan 8.230 nan 0.000 0.449 134 L N -0.949 120.157 121.223 -0.195 0.000 2.478 134 L HA -0.021 4.319 4.340 -0.000 0.000 0.223 134 L C 1.091 177.940 176.870 -0.035 0.000 1.140 134 L CA 0.216 54.963 54.840 -0.156 0.000 0.842 134 L CB -0.359 41.644 42.059 -0.094 0.000 0.953 134 L HN 0.255 nan 8.230 nan 0.000 0.452 135 N N 0.862 119.597 118.700 0.059 0.000 2.420 135 N HA 0.035 4.775 4.740 -0.000 0.000 0.249 135 N C 0.876 176.417 175.510 0.051 0.000 1.033 135 N CA 0.059 53.143 53.050 0.056 0.000 0.944 135 N CB 1.166 39.679 38.487 0.044 0.000 1.113 135 N HN 0.090 nan 8.380 nan 0.000 0.502 136 R N 2.166 122.685 120.500 0.032 0.000 2.189 136 R HA -0.024 4.316 4.340 -0.000 0.000 0.218 136 R C 0.773 177.103 176.300 0.049 0.000 1.074 136 R CA 1.381 57.519 56.100 0.063 0.000 0.991 136 R CB 0.378 30.711 30.300 0.056 0.000 0.883 136 R HN 0.470 nan 8.270 nan 0.000 0.457 137 T N 0.177 114.726 114.554 -0.008 0.000 2.988 137 T HA 0.043 4.393 4.350 -0.000 0.000 0.240 137 T C 1.273 175.923 174.700 -0.084 0.000 1.014 137 T CA 0.455 62.535 62.100 -0.033 0.000 1.155 137 T CB 0.090 68.928 68.868 -0.049 0.000 0.872 137 T HN 0.151 nan 8.240 nan 0.000 0.440 138 E N 1.020 121.081 120.200 -0.232 0.000 2.107 138 E HA 0.038 4.388 4.350 -0.000 0.000 0.191 138 E C 1.842 178.327 176.600 -0.192 0.000 0.982 138 E CA 0.646 56.796 56.400 -0.417 0.000 0.809 138 E CB -0.430 28.528 29.700 -1.236 0.000 0.756 138 E HN 0.447 nan 8.360 nan 0.000 0.459 139 F N 2.153 122.009 119.950 -0.156 0.000 2.146 139 F HA -0.039 4.488 4.527 -0.000 0.000 0.298 139 F C -0.943 174.996 175.800 0.231 0.000 1.096 139 F CA 0.826 58.923 58.000 0.161 0.000 1.275 139 F CB -1.046 38.074 39.000 0.200 0.000 1.008 139 F HN 0.020 nan 8.300 nan 0.000 0.480 140 P HA -0.140 nan 4.420 nan 0.000 0.218 140 P C 1.996 179.278 177.300 -0.031 0.000 1.149 140 P CA 1.585 64.662 63.100 -0.038 0.000 0.817 140 P CB -0.113 31.630 31.700 0.071 0.000 0.785 141 L N -0.689 120.525 121.223 -0.014 0.000 2.056 141 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 141 L C 1.961 178.840 176.870 0.015 0.000 1.078 141 L CA 1.473 56.312 54.840 -0.002 0.000 0.749 141 L CB -0.938 41.121 42.059 0.001 0.000 0.901 141 L HN -0.055 nan 8.230 nan 0.000 0.433 142 D N -0.377 120.068 120.400 0.074 0.000 2.149 142 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 142 D C 1.903 178.292 176.300 0.149 0.000 0.972 142 D CA 1.030 55.157 54.000 0.212 0.000 0.835 142 D CB -0.085 40.978 40.800 0.439 0.000 0.966 142 D HN 0.163 nan 8.370 nan 0.000 0.476 143 F N 1.860 121.686 119.950 -0.207 0.000 2.146 143 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 143 F C 2.247 177.842 175.800 -0.342 0.000 1.096 143 F CA 1.329 59.084 58.000 -0.408 0.000 1.275 143 F CB -0.028 38.624 39.000 -0.580 0.000 1.008 143 F HN -0.111 nan 8.300 nan 0.000 0.480 144 E N -0.040 119.993 120.200 -0.278 0.000 2.110 144 E HA -0.298 4.051 4.350 -0.000 0.000 0.193 144 E C 2.012 178.380 176.600 -0.387 0.000 0.988 144 E CA 1.382 57.579 56.400 -0.338 0.000 0.804 144 E CB -0.397 29.229 29.700 -0.124 0.000 0.745 144 E HN 0.502 nan 8.360 nan 0.000 0.458 145 N N -0.252 118.304 118.700 -0.241 0.000 2.084 145 N HA -0.258 4.482 4.740 -0.000 0.000 0.190 145 N C 1.855 177.187 175.510 -0.296 0.000 1.030 145 N CA 1.780 54.722 53.050 -0.180 0.000 0.849 145 N CB -0.480 37.986 38.487 -0.035 0.000 1.012 145 N HN 0.362 nan 8.380 nan 0.000 0.423 146 Y N 0.356 120.328 120.300 -0.548 0.000 2.128 146 Y HA -0.187 4.363 4.550 -0.000 0.000 0.284 146 Y C 2.267 177.611 175.900 -0.928 0.000 1.154 146 Y CA 1.937 59.580 58.100 -0.762 0.000 1.149 146 Y CB -0.576 37.093 38.460 -1.318 0.000 0.976 146 Y HN 0.184 nan 8.280 nan 0.000 0.505 147 A N 1.083 123.025 122.820 -1.464 0.000 1.917 147 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 147 A C 2.242 178.716 177.584 -1.849 0.000 1.182 147 A CA 2.120 53.052 52.037 -1.842 0.000 0.633 147 A CB -0.756 17.258 19.000 -1.643 0.000 0.819 147 A HN 0.610 nan 8.150 nan 0.000 0.448 148 R N -0.868 118.990 120.500 -1.070 0.000 2.096 148 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 148 R C 2.048 178.016 176.300 -0.553 0.000 1.127 148 R CA 1.320 57.018 56.100 -0.670 0.000 0.968 148 R CB -0.589 29.594 30.300 -0.195 0.000 0.861 148 R HN 0.401 nan 8.270 nan 0.000 0.440 149 V N 1.137 120.770 119.914 -0.468 0.000 2.287 149 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 149 V C 2.352 178.251 176.094 -0.325 0.000 1.053 149 V CA 1.672 63.805 62.300 -0.278 0.000 1.027 149 V CB -0.322 31.403 31.823 -0.164 0.000 0.646 149 V HN 0.287 nan 8.190 nan 0.000 0.447 150 M N -1.196 118.063 119.600 -0.568 0.000 2.175 150 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 150 M C 2.153 178.262 176.300 -0.320 0.000 1.063 150 M CA 1.582 56.630 55.300 -0.421 0.000 1.119 150 M CB -1.341 30.916 32.600 -0.572 0.000 1.377 150 M HN 0.301 nan 8.290 nan 0.000 0.415 151 F N 0.778 120.265 119.950 -0.772 0.000 2.134 151 F HA -0.091 4.436 4.527 -0.000 0.000 0.299 151 F C 2.561 178.016 175.800 -0.575 0.000 1.097 151 F CA 1.006 58.427 58.000 -0.966 0.000 1.264 151 F CB -1.224 36.671 39.000 -1.841 0.000 1.001 151 F HN 0.196 nan 8.300 nan 0.000 0.479 152 R N 0.052 120.396 120.500 -0.260 0.000 2.091 152 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 152 R C 2.287 178.648 176.300 0.102 0.000 1.136 152 R CA 1.466 57.624 56.100 0.096 0.000 0.959 152 R CB -0.841 29.527 30.300 0.114 0.000 0.856 152 R HN 0.276 nan 8.270 nan 0.000 0.437 153 A N 0.493 123.347 122.820 0.058 0.000 2.067 153 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 153 A C 1.280 178.951 177.584 0.146 0.000 1.156 153 A CA 0.617 52.714 52.037 0.101 0.000 0.683 153 A CB 0.206 19.263 19.000 0.094 0.000 0.808 153 A HN 0.150 nan 8.150 nan 0.000 0.455 154 L N 0.572 121.913 121.223 0.197 0.000 2.892 154 L HA 0.232 4.572 4.340 -0.000 0.000 0.251 154 L C -1.680 175.353 176.870 0.272 0.000 1.339 154 L CA -1.159 53.832 54.840 0.252 0.000 0.900 154 L CB 1.243 43.509 42.059 0.345 0.000 1.246 154 L HN 0.137 nan 8.230 nan 0.000 0.524 155 P HA -0.156 nan 4.420 nan 0.000 0.225 155 P C 0.903 178.289 177.300 0.144 0.000 1.148 155 P CA 1.127 64.337 63.100 0.182 0.000 0.779 155 P CB 0.273 32.053 31.700 0.135 0.000 0.780 156 K N -0.485 119.978 120.400 0.106 0.000 2.418 156 K HA 0.108 4.428 4.320 -0.000 0.000 0.195 156 K C 0.722 177.331 176.600 0.015 0.000 1.035 156 K CA 0.092 56.411 56.287 0.054 0.000 1.003 156 K CB 0.076 32.594 32.500 0.030 0.000 0.793 156 K HN 0.063 nan 8.250 nan 0.000 0.494 157 V N 1.801 121.726 119.914 0.018 0.000 2.775 157 V HA 0.054 4.174 4.120 -0.000 0.000 0.299 157 V C 1.189 177.226 176.094 -0.095 0.000 1.062 157 V CA 0.043 62.239 62.300 -0.173 0.000 1.063 157 V CB 1.367 32.905 31.823 -0.475 0.000 0.994 157 V HN 0.229 nan 8.190 nan 0.000 0.483 158 R N 1.470 121.806 120.500 -0.274 0.000 2.513 158 R HA 0.255 4.595 4.340 -0.000 0.000 0.245 158 R C -0.306 175.796 176.300 -0.331 0.000 0.908 158 R CA 0.000 56.006 56.100 -0.156 0.000 1.023 158 R CB 0.301 30.527 30.300 -0.122 0.000 1.338 158 R HN 0.594 nan 8.270 nan 0.000 0.575 159 N N 0.266 118.523 118.700 -0.738 0.000 2.524 159 N HA 0.190 4.930 4.740 -0.000 0.000 0.261 159 N C -1.261 173.735 175.510 -0.857 0.000 0.998 159 N CA -0.150 52.346 53.050 -0.924 0.000 0.915 159 N CB 1.039 38.413 38.487 -1.855 0.000 1.187 159 N HN -0.074 nan 8.380 nan 0.000 0.507 160 W N 2.127 123.223 121.300 -0.339 0.000 2.666 160 W HA 0.622 5.282 4.660 0.000 0.000 0.334 160 W C 0.066 176.567 176.519 -0.029 0.000 1.051 160 W CA -0.587 56.615 57.345 -0.238 0.000 1.224 160 W CB 1.473 30.712 29.460 -0.369 0.000 1.405 160 W HN 0.172 nan 8.180 nan 0.000 0.513 161 I N 2.281 122.991 120.570 0.233 0.000 2.498 161 I HA 0.205 4.375 4.170 -0.000 0.000 0.290 161 I C 1.178 177.408 176.117 0.188 0.000 1.032 161 I CA -0.471 60.958 61.300 0.215 0.000 1.073 161 I CB 2.390 40.483 38.000 0.156 0.000 1.251 161 I HN 0.630 nan 8.210 nan 0.000 0.426 162 T N 2.686 117.370 114.554 0.217 0.000 2.684 162 T HA 0.120 4.470 4.350 -0.000 0.000 0.253 162 T C 0.327 175.017 174.700 -0.017 0.000 1.057 162 T CA 1.033 63.273 62.100 0.234 0.000 1.162 162 T CB -0.112 69.071 68.868 0.525 0.000 0.868 162 T HN 0.207 nan 8.240 nan 0.000 0.409 163 F N 1.874 121.897 119.950 0.122 0.000 2.495 163 F HA 0.540 5.067 4.527 -0.000 0.000 0.327 163 F C -0.005 175.803 175.800 0.015 0.000 1.103 163 F CA -1.411 56.642 58.000 0.088 0.000 0.949 163 F CB 1.523 40.452 39.000 -0.118 0.000 1.142 163 F HN 0.140 nan 8.300 nan 0.000 0.457 164 N N 2.014 120.814 118.700 0.167 0.000 2.419 164 N HA 0.189 4.929 4.740 -0.000 0.000 0.264 164 N C -0.925 174.656 175.510 0.120 0.000 1.031 164 N CA -0.100 52.917 53.050 -0.054 0.000 0.951 164 N CB 0.369 38.463 38.487 -0.656 0.000 1.101 164 N HN 0.652 nan 8.380 nan 0.000 0.488 165 E N 1.921 122.145 120.200 0.040 0.000 2.273 165 E HA -0.177 4.173 4.350 -0.000 0.000 0.177 165 E C -1.753 174.797 176.600 -0.083 0.000 1.511 165 E CA -0.037 56.395 56.400 0.053 0.000 0.675 165 E CB -0.472 29.376 29.700 0.246 0.000 1.094 165 E HN 0.671 nan 8.360 nan 0.000 0.348 166 P HA -0.224 nan 4.420 nan 0.000 0.218 166 P C 1.521 178.492 177.300 -0.549 0.000 1.148 166 P CA 1.008 63.715 63.100 -0.655 0.000 0.822 166 P CB 0.119 31.001 31.700 -1.364 0.000 0.784 167 L N -0.278 120.689 121.223 -0.427 0.000 2.042 167 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 167 L C 2.236 179.045 176.870 -0.101 0.000 1.076 167 L CA 1.970 56.792 54.840 -0.029 0.000 0.749 167 L CB -0.752 41.487 42.059 0.300 0.000 0.893 167 L HN -0.019 nan 8.230 nan 0.000 0.432 168 C N -1.052 118.123 119.300 -0.208 0.000 2.450 168 C HA -0.045 4.415 4.460 -0.000 0.000 0.279 168 C C 2.920 177.561 174.990 -0.582 0.000 1.335 168 C CA 0.903 59.684 59.018 -0.394 0.000 1.749 168 C CB -0.844 26.610 27.740 -0.476 0.000 1.963 168 C HN 0.583 nan 8.230 nan 0.000 0.501 169 S N 0.908 116.259 115.700 -0.582 0.000 2.402 169 S HA -0.054 4.416 4.470 -0.000 0.000 0.229 169 S C 2.071 176.601 174.600 -0.117 0.000 1.021 169 S CA 1.360 59.328 58.200 -0.386 0.000 0.974 169 S CB -0.211 62.881 63.200 -0.179 0.000 0.800 169 S HN 0.737 nan 8.310 nan 0.000 0.484 170 A N 0.993 123.748 122.820 -0.109 0.000 1.862 170 A HA 0.247 4.567 4.320 -0.000 0.000 0.211 170 A C 2.001 179.573 177.584 -0.021 0.000 1.220 170 A CA 0.509 52.547 52.037 0.001 0.000 0.616 170 A CB -0.510 18.521 19.000 0.052 0.000 0.878 170 A HN 0.396 nan 8.150 nan 0.000 0.453 171 I N -0.041 120.476 120.570 -0.089 0.000 2.206 171 I HA -0.070 4.100 4.170 -0.000 0.000 0.239 171 I C -0.769 175.198 176.117 -0.251 0.000 1.078 171 I CA 0.961 62.147 61.300 -0.192 0.000 1.367 171 I CB -0.851 37.040 38.000 -0.183 0.000 1.078 171 I HN 0.168 nan 8.210 nan 0.000 0.413 172 P HA -0.101 nan 4.420 nan 0.000 0.218 172 P C 1.489 178.558 177.300 -0.385 0.000 1.149 172 P CA 1.495 64.305 63.100 -0.483 0.000 0.817 172 P CB -0.175 30.945 31.700 -0.967 0.000 0.785 173 G N -2.354 106.244 108.800 -0.336 0.000 2.430 173 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 173 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 173 G C 0.669 175.124 174.900 -0.743 0.000 1.146 173 G CA 0.616 45.394 45.100 -0.536 0.000 0.793 173 G HN 0.283 nan 8.290 nan 0.000 0.537 174 Y N -1.204 118.949 120.300 -0.245 0.000 2.540 174 Y HA 0.320 4.870 4.550 -0.000 0.000 0.257 174 Y C 2.276 178.053 175.900 -0.205 0.000 1.090 174 Y CA -0.056 57.922 58.100 -0.204 0.000 1.242 174 Y CB 0.774 39.118 38.460 -0.193 0.000 1.325 174 Y HN 0.151 nan 8.280 nan 0.000 0.544 175 G N -0.201 108.528 108.800 -0.120 0.000 2.729 175 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.211 175 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.211 175 G C 1.593 176.411 174.900 -0.137 0.000 1.182 175 G CA 0.783 45.791 45.100 -0.153 0.000 0.851 175 G HN 0.263 nan 8.290 nan 0.000 0.607 176 S N -0.616 114.983 115.700 -0.167 0.000 2.503 176 S HA 0.354 4.824 4.470 -0.000 0.000 0.215 176 S C 1.919 176.441 174.600 -0.130 0.000 1.003 176 S CA 1.171 59.285 58.200 -0.144 0.000 0.910 176 S CB 0.171 63.269 63.200 -0.170 0.000 0.790 176 S HN 1.657 nan 8.310 nan 0.000 0.514 177 G N 1.464 110.162 108.800 -0.171 0.000 2.155 177 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.257 177 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.257 177 G C 0.910 175.777 174.900 -0.056 0.000 0.983 177 G CA 1.061 46.074 45.100 -0.144 0.000 0.676 177 G HN 1.040 nan 8.290 nan 0.000 0.528 178 T N -2.847 111.642 114.554 -0.109 0.000 2.995 178 T HA 0.380 4.730 4.350 -0.000 0.000 0.269 178 T C 0.863 175.702 174.700 0.230 0.000 1.091 178 T CA 1.020 63.131 62.100 0.019 0.000 1.128 178 T CB 0.094 68.861 68.868 -0.168 0.000 0.891 178 T HN 0.295 nan 8.240 nan 0.000 0.492 179 F N 1.485 121.240 119.950 -0.325 0.000 2.556 179 F HA 0.778 5.305 4.527 -0.000 0.000 0.327 179 F C 0.607 175.427 175.800 -1.635 0.000 1.059 179 F CA -2.856 54.725 58.000 -0.697 0.000 0.953 179 F CB 0.970 39.736 39.000 -0.391 0.000 1.227 179 F HN 0.136 nan 8.300 nan 0.000 0.478 180 A N 3.137 124.538 122.820 -2.365 0.000 2.561 180 A HA 0.284 4.604 4.320 -0.000 0.000 0.234 180 A C -1.801 175.075 177.584 -1.179 0.000 1.055 180 A CA -0.584 50.182 52.037 -2.119 0.000 0.756 180 A CB -0.579 17.159 19.000 -2.103 0.000 0.986 180 A HN 0.507 nan 8.150 nan 0.000 0.505 181 P HA 0.153 nan 4.420 nan 0.000 0.257 181 P C 0.716 177.662 177.300 -0.590 0.000 1.325 181 P CA 0.853 63.437 63.100 -0.860 0.000 0.850 181 P CB 0.088 31.271 31.700 -0.861 0.000 1.324 182 G N 0.715 109.112 108.800 -0.671 0.000 2.198 182 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.257 182 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.257 182 G C 0.020 174.805 174.900 -0.192 0.000 1.042 182 G CA -0.384 44.573 45.100 -0.238 0.000 0.791 182 G HN 0.354 nan 8.290 nan 0.000 0.502 183 R N -0.579 119.728 120.500 -0.322 0.000 2.532 183 R HA 0.632 4.972 4.340 -0.000 0.000 0.272 183 R C 0.173 176.398 176.300 -0.125 0.000 1.032 183 R CA -0.322 55.673 56.100 -0.175 0.000 1.089 183 R CB 0.798 31.023 30.300 -0.126 0.000 1.098 183 R HN 0.395 nan 8.270 nan 0.000 0.526 184 Q N 0.740 120.504 119.800 -0.060 0.000 2.290 184 Q HA 0.381 4.721 4.340 -0.000 0.000 0.269 184 Q C -1.395 174.588 176.000 -0.028 0.000 1.016 184 Q CA -0.443 55.329 55.803 -0.053 0.000 0.754 184 Q CB 2.430 31.139 28.738 -0.049 0.000 1.247 184 Q HN 0.510 nan 8.270 nan 0.000 0.451 185 S N 0.102 115.782 115.700 -0.032 0.000 2.537 185 S HA 0.310 4.780 4.470 -0.000 0.000 0.271 185 S C 0.349 174.930 174.600 -0.030 0.000 1.148 185 S CA -0.278 57.911 58.200 -0.019 0.000 0.868 185 S CB 1.439 64.639 63.200 0.001 0.000 1.115 185 S HN 0.646 nan 8.310 nan 0.000 0.461 186 T N 0.169 114.726 114.554 0.006 0.000 3.081 186 T HA 0.127 4.477 4.350 -0.000 0.000 0.255 186 T C 1.429 176.215 174.700 0.144 0.000 1.113 186 T CA 1.086 63.222 62.100 0.059 0.000 1.082 186 T CB -0.256 68.646 68.868 0.056 0.000 0.939 186 T HN 0.714 nan 8.240 nan 0.000 0.506 187 S N 0.805 116.554 115.700 0.082 0.000 2.599 187 S HA 0.206 4.676 4.470 -0.000 0.000 0.236 187 S C 1.734 176.349 174.600 0.026 0.000 1.077 187 S CA -0.260 58.026 58.200 0.143 0.000 0.906 187 S CB -0.171 63.072 63.200 0.071 0.000 0.804 187 S HN 0.454 nan 8.310 nan 0.000 0.497 188 E N 2.507 122.668 120.200 -0.064 0.000 2.118 188 E HA -0.066 4.284 4.350 -0.000 0.000 0.195 188 E C -0.871 175.574 176.600 -0.258 0.000 0.992 188 E CA 1.484 57.806 56.400 -0.130 0.000 0.804 188 E CB -1.089 28.578 29.700 -0.055 0.000 0.741 188 E HN 0.502 nan 8.360 nan 0.000 0.458 189 P HA -0.166 nan 4.420 nan 0.000 0.218 189 P C 0.447 177.543 177.300 -0.340 0.000 1.149 189 P CA 1.185 63.992 63.100 -0.487 0.000 0.817 189 P CB -0.183 31.009 31.700 -0.845 0.000 0.785 190 W N -1.070 120.236 121.300 0.010 0.000 2.436 190 W HA -0.045 4.615 4.660 -0.000 0.000 0.284 190 W C 2.254 178.778 176.519 0.008 0.000 1.225 190 W CA 0.812 58.151 57.345 -0.011 0.000 1.271 190 W CB -1.841 27.489 29.460 -0.217 0.000 1.114 190 W HN -0.162 nan 8.180 nan 0.000 0.559 191 T N 0.867 115.472 114.554 0.085 0.000 2.708 191 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 191 T C 1.885 176.566 174.700 -0.031 0.000 1.037 191 T CA 1.677 63.779 62.100 0.002 0.000 1.146 191 T CB -0.706 68.121 68.868 -0.068 0.000 0.865 191 T HN -0.094 nan 8.240 nan 0.000 0.435 192 V N 1.362 121.179 119.914 -0.161 0.000 2.358 192 V HA -0.085 4.035 4.120 -0.000 0.000 0.246 192 V C 2.877 178.897 176.094 -0.122 0.000 1.047 192 V CA 1.968 64.098 62.300 -0.284 0.000 1.035 192 V CB -1.343 30.150 31.823 -0.550 0.000 0.658 192 V HN 0.598 nan 8.190 nan 0.000 0.452 193 G N -1.194 107.656 108.800 0.083 0.000 2.440 193 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.218 193 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.218 193 G C 1.450 176.470 174.900 0.199 0.000 1.154 193 G CA 1.305 46.513 45.100 0.180 0.000 0.767 193 G HN 0.634 nan 8.290 nan 0.000 0.552 194 H N 0.978 120.140 119.070 0.154 0.000 2.353 194 H HA -0.020 4.536 4.556 -0.000 0.000 0.300 194 H C 2.514 177.858 175.328 0.026 0.000 1.090 194 H CA 1.844 57.957 56.048 0.108 0.000 1.327 194 H CB 0.064 29.845 29.762 0.032 0.000 1.383 194 H HN 0.224 nan 8.280 nan 0.000 0.508 195 N N 0.068 118.809 118.700 0.068 0.000 2.244 195 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 195 N C 2.001 177.502 175.510 -0.015 0.000 1.016 195 N CA 1.130 54.206 53.050 0.043 0.000 0.866 195 N CB -0.087 38.421 38.487 0.035 0.000 0.980 195 N HN 0.451 nan 8.380 nan 0.000 0.430 196 I N 0.804 121.237 120.570 -0.229 0.000 2.202 196 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 196 I C 1.999 177.829 176.117 -0.480 0.000 1.091 196 I CA 0.794 61.727 61.300 -0.612 0.000 1.368 196 I CB -0.195 37.256 38.000 -0.916 0.000 1.058 196 I HN 0.039 nan 8.210 nan 0.000 0.410 197 L N -0.078 121.013 121.223 -0.220 0.000 2.042 197 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 197 L C 2.561 179.440 176.870 0.016 0.000 1.076 197 L CA 1.164 55.965 54.840 -0.065 0.000 0.749 197 L CB -0.626 41.462 42.059 0.048 0.000 0.893 197 L HN 0.084 nan 8.230 nan 0.000 0.432 198 V N -0.111 119.783 119.914 -0.033 0.000 2.343 198 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 198 V C 2.756 178.900 176.094 0.082 0.000 1.051 198 V CA 1.749 64.065 62.300 0.026 0.000 1.036 198 V CB -1.004 30.824 31.823 0.008 0.000 0.654 198 V HN 0.487 nan 8.190 nan 0.000 0.451 199 A N -0.085 122.797 122.820 0.103 0.000 1.908 199 A HA -0.336 3.984 4.320 -0.000 0.000 0.218 199 A C 2.116 179.912 177.584 0.353 0.000 1.181 199 A CA 2.514 54.666 52.037 0.191 0.000 0.627 199 A CB -0.921 18.153 19.000 0.124 0.000 0.818 199 A HN 0.796 nan 8.150 nan 0.000 0.445 200 H N -0.493 118.694 119.070 0.195 0.000 2.290 200 H HA -0.056 4.500 4.556 -0.000 0.000 0.298 200 H C 2.140 177.560 175.328 0.153 0.000 1.087 200 H CA 2.336 58.537 56.048 0.256 0.000 1.291 200 H CB -0.686 29.123 29.762 0.079 0.000 1.369 200 H HN 0.313 nan 8.280 nan 0.000 0.492 201 G N 0.161 108.941 108.800 -0.033 0.000 2.442 201 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 201 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 201 G C 1.784 176.648 174.900 -0.060 0.000 1.141 201 G CA 0.714 45.752 45.100 -0.103 0.000 0.763 201 G HN 0.389 nan 8.290 nan 0.000 0.554 202 R N 0.364 120.875 120.500 0.018 0.000 2.081 202 R HA 0.028 4.368 4.340 -0.000 0.000 0.235 202 R C 3.040 179.347 176.300 0.012 0.000 1.131 202 R CA 1.159 57.273 56.100 0.023 0.000 0.960 202 R CB -0.364 29.963 30.300 0.045 0.000 0.856 202 R HN 0.357 nan 8.270 nan 0.000 0.436 203 A N 0.583 123.425 122.820 0.037 0.000 1.930 203 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 203 A C 2.330 179.942 177.584 0.047 0.000 1.175 203 A CA 1.182 53.218 52.037 -0.002 0.000 0.627 203 A CB -0.402 18.587 19.000 -0.019 0.000 0.815 203 A HN 0.111 nan 8.150 nan 0.000 0.443 204 V N 0.341 120.208 119.914 -0.080 0.000 2.358 204 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 204 V C 2.546 178.627 176.094 -0.021 0.000 1.047 204 V CA 2.335 64.573 62.300 -0.104 0.000 1.035 204 V CB -0.603 31.046 31.823 -0.291 0.000 0.658 204 V HN 0.724 nan 8.190 nan 0.000 0.452 205 K N 0.432 120.812 120.400 -0.033 0.000 2.057 205 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 205 K C 2.177 178.785 176.600 0.013 0.000 1.049 205 K CA 1.542 57.818 56.287 -0.018 0.000 0.931 205 K CB -0.325 32.160 32.500 -0.024 0.000 0.714 205 K HN 0.401 nan 8.250 nan 0.000 0.440 206 A N 0.559 123.418 122.820 0.065 0.000 1.883 206 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 206 A C 2.091 179.796 177.584 0.201 0.000 1.186 206 A CA 1.557 53.682 52.037 0.146 0.000 0.624 206 A CB -1.003 18.116 19.000 0.197 0.000 0.822 206 A HN 0.591 nan 8.150 nan 0.000 0.444 207 Y N 0.495 120.777 120.300 -0.031 0.000 2.114 207 Y HA -0.221 4.329 4.550 -0.000 0.000 0.284 207 Y C 2.564 178.348 175.900 -0.193 0.000 1.143 207 Y CA 2.217 60.093 58.100 -0.373 0.000 1.135 207 Y CB -0.330 37.658 38.460 -0.787 0.000 0.980 207 Y HN 0.254 nan 8.280 nan 0.000 0.499 208 R N -0.116 120.310 120.500 -0.123 0.000 2.096 208 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 208 R C 1.681 177.863 176.300 -0.198 0.000 1.127 208 R CA 1.590 57.588 56.100 -0.170 0.000 0.968 208 R CB -0.272 29.995 30.300 -0.055 0.000 0.861 208 R HN 0.387 nan 8.270 nan 0.000 0.440 209 D N -0.117 120.194 120.400 -0.148 0.000 2.137 209 D HA -0.076 4.564 4.640 -0.000 0.000 0.202 209 D C 0.838 176.998 176.300 -0.233 0.000 0.970 209 D CA 1.179 55.088 54.000 -0.152 0.000 0.837 209 D CB 0.033 40.772 40.800 -0.103 0.000 0.981 209 D HN 0.123 nan 8.370 nan 0.000 0.475 210 D N -1.750 118.464 120.400 -0.310 0.000 2.474 210 D HA 0.119 4.759 4.640 -0.000 0.000 0.213 210 D C 0.333 176.054 176.300 -0.965 0.000 1.120 210 D CA 0.020 53.664 54.000 -0.594 0.000 0.836 210 D CB 0.504 40.888 40.800 -0.693 0.000 1.019 210 D HN 0.161 nan 8.370 nan 0.000 0.507 211 F N 0.455 120.150 119.950 -0.425 0.000 2.825 211 F HA 0.214 4.741 4.527 -0.000 0.000 0.322 211 F C 0.573 175.977 175.800 -0.661 0.000 1.127 211 F CA -0.525 57.172 58.000 -0.504 0.000 1.164 211 F CB 0.700 39.348 39.000 -0.587 0.000 1.101 211 F HN -0.464 nan 8.300 nan 0.000 0.529 212 K N 3.617 123.717 120.400 -0.499 0.000 2.416 212 K HA 0.175 4.495 4.320 -0.000 0.000 0.283 212 K C -2.245 174.244 176.600 -0.186 0.000 1.037 212 K CA -1.124 54.923 56.287 -0.401 0.000 0.995 212 K CB 0.127 32.455 32.500 -0.287 0.000 0.938 212 K HN 0.026 nan 8.250 nan 0.000 0.475 213 P HA 0.042 nan 4.420 nan 0.000 0.271 213 P C 0.369 177.651 177.300 -0.030 0.000 1.218 213 P CA -0.124 62.961 63.100 -0.025 0.000 0.780 213 P CB 0.759 32.476 31.700 0.028 0.000 0.901 214 A N 2.905 125.711 122.820 -0.023 0.000 1.948 214 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 214 A C 2.169 179.748 177.584 -0.009 0.000 1.177 214 A CA 2.387 54.412 52.037 -0.021 0.000 0.636 214 A CB -1.644 17.347 19.000 -0.015 0.000 0.815 214 A HN 0.682 nan 8.150 nan 0.000 0.449 215 S N -1.687 114.015 115.700 0.002 0.000 2.507 215 S HA 0.265 4.735 4.470 -0.000 0.000 0.235 215 S C 1.547 176.156 174.600 0.014 0.000 0.988 215 S CA 1.257 59.463 58.200 0.010 0.000 0.944 215 S CB -0.674 62.535 63.200 0.015 0.000 0.762 215 S HN 2.060 nan 8.310 nan 0.000 0.526 216 G N 2.174 110.980 108.800 0.011 0.000 2.143 216 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.249 216 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.249 216 G C 0.082 175.005 174.900 0.038 0.000 0.981 216 G CA 0.330 45.440 45.100 0.016 0.000 0.665 216 G HN 0.801 nan 8.290 nan 0.000 0.528 217 D N -0.013 120.416 120.400 0.048 0.000 2.571 217 D HA 0.403 5.043 4.640 -0.000 0.000 0.239 217 D C 1.010 177.362 176.300 0.086 0.000 1.267 217 D CA 0.321 54.360 54.000 0.064 0.000 0.823 217 D CB -0.047 40.781 40.800 0.047 0.000 1.056 217 D HN 0.658 nan 8.370 nan 0.000 0.494 218 G N 0.654 109.535 108.800 0.134 0.000 2.448 218 G HA2 0.512 4.472 3.960 -0.000 0.000 0.285 218 G HA3 0.512 4.472 3.960 -0.000 0.000 0.285 218 G C -0.436 174.635 174.900 0.286 0.000 1.176 218 G CA -0.478 44.771 45.100 0.249 0.000 0.852 218 G HN 0.314 nan 8.290 nan 0.000 0.530 219 Q N -0.431 119.518 119.800 0.248 0.000 2.435 219 Q HA 0.697 5.037 4.340 -0.000 0.000 0.282 219 Q C -1.810 174.306 176.000 0.193 0.000 1.020 219 Q CA -0.973 54.988 55.803 0.263 0.000 0.820 219 Q CB 2.327 31.260 28.738 0.325 0.000 1.436 219 Q HN 0.565 nan 8.270 nan 0.000 0.395 220 I N 0.187 120.844 120.570 0.144 0.000 2.802 220 I HA 0.871 5.041 4.170 -0.000 0.000 0.298 220 I C -1.188 174.757 176.117 -0.288 0.000 1.176 220 I CA -0.450 60.846 61.300 -0.008 0.000 1.025 220 I CB 2.327 40.160 38.000 -0.279 0.000 1.243 220 I HN 0.940 nan 8.210 nan 0.000 0.424 221 G N 5.924 114.464 108.800 -0.434 0.000 2.559 221 G HA2 0.443 4.403 3.960 -0.000 0.000 0.291 221 G HA3 0.443 4.403 3.960 -0.000 0.000 0.291 221 G C -2.188 172.587 174.900 -0.209 0.000 1.424 221 G CA -0.637 44.068 45.100 -0.658 0.000 0.786 221 G HN 0.682 nan 8.290 nan 0.000 0.485 222 I N -0.152 120.279 120.570 -0.232 0.000 2.577 222 I HA 0.637 4.807 4.170 -0.000 0.000 0.305 222 I C -0.452 175.567 176.117 -0.164 0.000 0.986 222 I CA -1.062 60.112 61.300 -0.210 0.000 1.189 222 I CB 1.950 39.612 38.000 -0.563 0.000 1.355 222 I HN 0.203 nan 8.210 nan 0.000 0.476 223 V N 7.515 127.385 119.914 -0.074 0.000 2.347 223 V HA 0.363 4.483 4.120 -0.000 0.000 0.280 223 V C -0.176 175.870 176.094 -0.080 0.000 1.021 223 V CA -0.500 61.783 62.300 -0.027 0.000 0.847 223 V CB 1.229 33.079 31.823 0.046 0.000 0.990 223 V HN 0.436 nan 8.190 nan 0.000 0.444 224 L N 6.181 127.364 121.223 -0.066 0.000 2.307 224 L HA 0.580 4.920 4.340 -0.000 0.000 0.284 224 L C 0.170 177.112 176.870 0.120 0.000 1.023 224 L CA -0.693 54.152 54.840 0.010 0.000 0.810 224 L CB 1.737 43.839 42.059 0.071 0.000 1.231 224 L HN 0.698 nan 8.230 nan 0.000 0.423 225 N N 1.843 120.624 118.700 0.135 0.000 2.413 225 N HA 0.692 5.432 4.740 -0.000 0.000 0.266 225 N C -0.248 175.199 175.510 -0.104 0.000 1.238 225 N CA -0.448 52.663 53.050 0.101 0.000 0.972 225 N CB 1.801 40.405 38.487 0.196 0.000 1.210 225 N HN 0.675 nan 8.380 nan 0.000 0.547 226 G N -0.414 108.082 108.800 -0.507 0.000 2.219 226 G HA2 0.225 4.185 3.960 -0.000 0.000 0.304 226 G HA3 0.225 4.185 3.960 -0.000 0.000 0.304 226 G C -2.097 172.345 174.900 -0.763 0.000 1.712 226 G CA -0.722 43.648 45.100 -1.217 0.000 0.905 226 G HN 0.552 nan 8.290 nan 0.000 0.706 227 D N 0.756 120.849 120.400 -0.512 0.000 2.228 227 D HA 0.595 5.235 4.640 -0.000 0.000 0.247 227 D C -0.293 176.321 176.300 0.523 0.000 0.995 227 D CA -0.234 53.894 54.000 0.214 0.000 0.903 227 D CB 2.225 43.244 40.800 0.365 0.000 1.205 227 D HN 0.158 nan 8.370 nan 0.000 0.459 228 F N 0.952 121.210 119.950 0.513 0.000 2.375 228 F HA 0.339 4.866 4.527 0.000 0.000 0.313 228 F C 0.696 176.502 175.800 0.011 0.000 1.176 228 F CA -0.138 58.026 58.000 0.274 0.000 1.142 228 F CB 0.974 40.109 39.000 0.224 0.000 1.275 228 F HN 0.179 nan 8.300 nan 0.000 0.544 229 T N 0.479 114.364 114.554 -1.114 0.000 2.893 229 T HA 0.608 4.958 4.350 -0.000 0.000 0.293 229 T C -1.557 172.569 174.700 -0.956 0.000 1.027 229 T CA -0.632 61.035 62.100 -0.722 0.000 0.988 229 T CB 1.336 69.891 68.868 -0.522 0.000 1.043 229 T HN 0.387 nan 8.240 nan 0.000 0.461 230 Y N 1.549 121.816 120.300 -0.055 0.000 2.462 230 Y HA 0.574 5.124 4.550 -0.000 0.000 0.346 230 Y C -2.451 173.582 175.900 0.222 0.000 0.976 230 Y CA -2.676 55.488 58.100 0.106 0.000 1.044 230 Y CB 2.277 40.843 38.460 0.176 0.000 1.230 230 Y HN 0.502 nan 8.280 nan 0.000 0.455 231 P HA -0.076 nan 4.420 nan 0.000 0.271 231 P C 0.234 177.748 177.300 0.356 0.000 1.216 231 P CA 0.007 63.282 63.100 0.293 0.000 0.776 231 P CB 1.131 32.954 31.700 0.204 0.000 0.881 232 W N 3.674 125.069 121.300 0.160 0.000 2.355 232 W HA -0.127 4.533 4.660 -0.000 0.000 0.309 232 W C 0.202 176.719 176.519 -0.002 0.000 1.206 232 W CA 1.693 59.071 57.345 0.056 0.000 1.284 232 W CB 0.009 29.497 29.460 0.046 0.000 1.145 232 W HN 0.258 nan 8.180 nan 0.000 0.502 233 D N -0.834 119.645 120.400 0.133 0.000 2.454 233 D HA 0.314 4.954 4.640 -0.000 0.000 0.247 233 D C 1.027 177.363 176.300 0.061 0.000 1.129 233 D CA 0.298 54.270 54.000 -0.047 0.000 0.877 233 D CB 1.230 42.087 40.800 0.096 0.000 1.082 233 D HN 0.082 nan 8.370 nan 0.000 0.537 234 A N 3.454 126.285 122.820 0.018 0.000 1.978 234 A HA -0.045 4.275 4.320 -0.000 0.000 0.220 234 A C 1.923 179.538 177.584 0.051 0.000 1.170 234 A CA 1.762 53.836 52.037 0.061 0.000 0.636 234 A CB -0.335 18.697 19.000 0.054 0.000 0.810 234 A HN 0.607 nan 8.150 nan 0.000 0.448 235 A N -0.976 121.860 122.820 0.028 0.000 2.238 235 A HA 0.134 4.454 4.320 -0.000 0.000 0.208 235 A C 0.684 178.293 177.584 0.042 0.000 1.177 235 A CA 0.655 52.710 52.037 0.029 0.000 0.804 235 A CB -0.205 18.802 19.000 0.013 0.000 0.823 235 A HN 0.368 nan 8.150 nan 0.000 0.482 236 D N -0.420 120.019 120.400 0.065 0.000 2.359 236 D HA 0.342 4.982 4.640 -0.000 0.000 0.230 236 D C -1.921 174.401 176.300 0.037 0.000 1.118 236 D CA -2.278 51.762 54.000 0.067 0.000 0.844 236 D CB 1.431 42.315 40.800 0.139 0.000 1.059 236 D HN -0.043 nan 8.370 nan 0.000 0.493 237 P HA -0.141 nan 4.420 nan 0.000 0.217 237 P C 0.962 178.235 177.300 -0.045 0.000 1.148 237 P CA 1.251 64.346 63.100 -0.009 0.000 0.828 237 P CB 0.260 31.951 31.700 -0.016 0.000 0.783 238 A N -0.358 122.381 122.820 -0.136 0.000 1.972 238 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 238 A C 1.947 179.466 177.584 -0.109 0.000 1.169 238 A CA 1.974 53.847 52.037 -0.272 0.000 0.635 238 A CB -1.262 17.242 19.000 -0.828 0.000 0.810 238 A HN 0.086 nan 8.150 nan 0.000 0.446 239 D N -0.455 119.965 120.400 0.033 0.000 2.183 239 D HA -0.045 4.595 4.640 -0.000 0.000 0.203 239 D C 1.936 178.301 176.300 0.108 0.000 0.969 239 D CA 1.053 55.154 54.000 0.168 0.000 0.842 239 D CB -0.139 40.826 40.800 0.276 0.000 0.957 239 D HN 0.470 nan 8.370 nan 0.000 0.484 240 K N 0.441 120.884 120.400 0.072 0.000 2.057 240 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 240 K C 2.006 178.627 176.600 0.035 0.000 1.050 240 K CA 0.812 57.133 56.287 0.056 0.000 0.935 240 K CB 0.042 32.575 32.500 0.055 0.000 0.715 240 K HN 0.136 nan 8.250 nan 0.000 0.439 241 E N 0.813 121.027 120.200 0.023 0.000 2.077 241 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 241 E C 1.916 178.532 176.600 0.026 0.000 0.989 241 E CA 1.136 57.548 56.400 0.021 0.000 0.800 241 E CB -0.042 29.658 29.700 0.001 0.000 0.746 241 E HN 0.312 nan 8.360 nan 0.000 0.452 242 A N 1.117 123.955 122.820 0.031 0.000 1.902 242 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 242 A C 2.393 179.980 177.584 0.006 0.000 1.181 242 A CA 1.869 53.924 52.037 0.030 0.000 0.623 242 A CB -0.795 18.251 19.000 0.075 0.000 0.818 242 A HN 0.429 nan 8.150 nan 0.000 0.443 243 A N -0.384 122.434 122.820 -0.003 0.000 1.930 243 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 243 A C 1.965 179.461 177.584 -0.147 0.000 1.175 243 A CA 2.034 54.021 52.037 -0.084 0.000 0.627 243 A CB -0.406 18.532 19.000 -0.103 0.000 0.815 243 A HN 0.581 nan 8.150 nan 0.000 0.443 244 E N 0.121 120.281 120.200 -0.066 0.000 2.072 244 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 244 E C 2.143 178.777 176.600 0.056 0.000 0.985 244 E CA 1.411 57.802 56.400 -0.015 0.000 0.801 244 E CB -0.259 29.488 29.700 0.078 0.000 0.750 244 E HN 0.543 nan 8.360 nan 0.000 0.452 245 R N -0.202 120.347 120.500 0.081 0.000 2.096 245 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 245 R C 2.336 178.760 176.300 0.207 0.000 1.127 245 R CA 1.484 57.685 56.100 0.168 0.000 0.968 245 R CB -0.133 30.235 30.300 0.113 0.000 0.861 245 R HN 0.015 nan 8.270 nan 0.000 0.440 246 R N 0.769 121.312 120.500 0.071 0.000 2.083 246 R HA -0.090 4.250 4.340 -0.000 0.000 0.237 246 R C 2.078 178.499 176.300 0.202 0.000 1.137 246 R CA 1.641 57.795 56.100 0.090 0.000 0.951 246 R CB -0.671 29.642 30.300 0.022 0.000 0.851 246 R HN 0.286 nan 8.270 nan 0.000 0.434 247 L N 0.142 121.376 121.223 0.017 0.000 2.083 247 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 247 L C 2.372 179.347 176.870 0.174 0.000 1.083 247 L CA 1.764 56.520 54.840 -0.140 0.000 0.752 247 L CB -0.515 40.999 42.059 -0.909 0.000 0.899 247 L HN 0.334 nan 8.230 nan 0.000 0.433 248 E N -0.182 120.200 120.200 0.304 0.000 2.051 248 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 248 E C 2.148 178.983 176.600 0.390 0.000 0.991 248 E CA 1.450 58.096 56.400 0.409 0.000 0.799 248 E CB -0.187 29.711 29.700 0.330 0.000 0.748 248 E HN 0.394 nan 8.360 nan 0.000 0.449 249 F N -0.281 119.801 119.950 0.220 0.000 2.234 249 F HA -0.120 4.407 4.527 -0.000 0.000 0.299 249 F C 2.043 178.095 175.800 0.420 0.000 1.087 249 F CA 0.904 59.017 58.000 0.189 0.000 1.340 249 F CB -0.090 38.941 39.000 0.051 0.000 1.031 249 F HN 0.017 nan 8.300 nan 0.000 0.500 250 F N -0.473 119.764 119.950 0.478 0.000 2.187 250 F HA -0.166 4.361 4.527 -0.000 0.000 0.295 250 F C 1.997 178.148 175.800 0.585 0.000 1.091 250 F CA 1.480 59.770 58.000 0.483 0.000 1.308 250 F CB 0.129 39.346 39.000 0.360 0.000 1.030 250 F HN -0.180 nan 8.300 nan 0.000 0.487 251 T N -1.368 113.677 114.554 0.818 0.000 3.176 251 T HA 0.238 4.588 4.350 -0.000 0.000 0.259 251 T C 1.721 176.875 174.700 0.757 0.000 0.978 251 T CA 0.401 62.966 62.100 0.776 0.000 1.050 251 T CB -0.279 69.063 68.868 0.789 0.000 1.136 251 T HN 0.120 nan 8.240 nan 0.000 0.465 252 A N 1.231 124.506 122.820 0.759 0.000 2.070 252 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 252 A C 1.906 179.797 177.584 0.512 0.000 1.159 252 A CA 1.346 53.793 52.037 0.683 0.000 0.656 252 A CB -1.028 18.356 19.000 0.639 0.000 0.800 252 A HN 0.639 nan 8.150 nan 0.000 0.453 253 W N 0.448 121.866 121.300 0.196 0.000 2.290 253 W HA -0.261 4.399 4.660 -0.000 0.000 0.318 253 W C 1.408 177.838 176.519 -0.148 0.000 1.248 253 W CA 2.156 59.464 57.345 -0.062 0.000 1.263 253 W CB -0.926 28.373 29.460 -0.268 0.000 1.147 253 W HN 0.357 nan 8.180 nan 0.000 0.494 254 F N -0.348 119.770 119.950 0.281 0.000 2.317 254 F HA 0.232 4.759 4.527 -0.000 0.000 0.290 254 F C 2.548 178.384 175.800 0.061 0.000 1.075 254 F CA 1.331 59.349 58.000 0.030 0.000 1.380 254 F CB -1.465 37.430 39.000 -0.175 0.000 1.093 254 F HN -0.103 nan 8.300 nan 0.000 0.524 255 A N -0.111 122.901 122.820 0.321 0.000 2.014 255 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 255 A C 1.699 179.363 177.584 0.133 0.000 1.163 255 A CA 1.699 53.829 52.037 0.155 0.000 0.652 255 A CB -0.698 18.363 19.000 0.101 0.000 0.808 255 A HN 0.223 nan 8.150 nan 0.000 0.449 256 D N -0.053 120.523 120.400 0.293 0.000 2.097 256 D HA -0.069 4.571 4.640 -0.000 0.000 0.195 256 D C -0.499 175.828 176.300 0.046 0.000 0.989 256 D CA 1.403 55.566 54.000 0.271 0.000 0.827 256 D CB -1.300 39.663 40.800 0.272 0.000 0.966 256 D HN 0.285 nan 8.370 nan 0.000 0.456 257 P HA -0.066 nan 4.420 nan 0.000 0.215 257 P C 1.545 178.693 177.300 -0.253 0.000 1.153 257 P CA 0.871 63.787 63.100 -0.308 0.000 0.853 257 P CB 0.082 31.595 31.700 -0.312 0.000 0.788 258 I N -2.929 117.550 120.570 -0.152 0.000 2.315 258 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 258 I C 1.890 177.842 176.117 -0.276 0.000 1.117 258 I CA 1.675 62.835 61.300 -0.233 0.000 1.404 258 I CB -0.406 37.387 38.000 -0.344 0.000 1.071 258 I HN -0.016 nan 8.210 nan 0.000 0.419 259 Y N -0.498 119.805 120.300 0.005 0.000 2.441 259 Y HA 0.169 4.719 4.550 -0.000 0.000 0.288 259 Y C 1.989 178.018 175.900 0.215 0.000 1.118 259 Y CA 0.565 58.735 58.100 0.116 0.000 1.215 259 Y CB 0.194 38.697 38.460 0.072 0.000 1.118 259 Y HN -0.045 nan 8.280 nan 0.000 0.547 260 L N -2.405 118.919 121.223 0.168 0.000 2.672 260 L HA 0.409 4.749 4.340 -0.000 0.000 0.236 260 L C 1.610 178.191 176.870 -0.482 0.000 1.092 260 L CA 0.730 55.569 54.840 -0.001 0.000 0.887 260 L CB 0.453 42.575 42.059 0.105 0.000 1.168 260 L HN 0.315 nan 8.230 nan 0.000 0.502 261 G N -0.057 108.291 108.800 -0.753 0.000 2.213 261 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.226 261 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.226 261 G C -0.195 174.342 174.900 -0.605 0.000 0.992 261 G CA 0.153 44.685 45.100 -0.947 0.000 0.632 261 G HN 0.334 nan 8.290 nan 0.000 0.511 262 D N -1.593 118.578 120.400 -0.383 0.000 2.596 262 D HA 0.550 5.190 4.640 -0.000 0.000 0.262 262 D C -0.428 175.817 176.300 -0.092 0.000 1.210 262 D CA -0.673 53.185 54.000 -0.236 0.000 0.873 262 D CB 0.724 41.489 40.800 -0.058 0.000 1.408 262 D HN -0.065 nan 8.370 nan 0.000 0.441 263 Y N 0.394 120.811 120.300 0.196 0.000 2.426 263 Y HA 0.239 4.788 4.550 -0.000 0.000 0.344 263 Y C -1.373 174.556 175.900 0.049 0.000 1.256 263 Y CA -1.053 57.131 58.100 0.139 0.000 1.451 263 Y CB -0.360 38.157 38.460 0.096 0.000 1.342 263 Y HN 0.076 nan 8.280 nan 0.000 0.600 264 P HA -0.019 nan 4.420 nan 0.000 0.264 264 P C -0.097 177.218 177.300 0.026 0.000 1.183 264 P CA 0.565 63.724 63.100 0.098 0.000 0.763 264 P CB 0.747 32.486 31.700 0.065 0.000 0.807 265 A N 3.303 126.143 122.820 0.034 0.000 1.940 265 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 265 A C 2.178 179.754 177.584 -0.014 0.000 1.176 265 A CA 2.294 54.339 52.037 0.013 0.000 0.631 265 A CB -1.598 17.416 19.000 0.024 0.000 0.814 265 A HN 0.616 nan 8.150 nan 0.000 0.446 266 S N -0.524 115.178 115.700 0.004 0.000 2.399 266 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 266 S C 1.988 176.562 174.600 -0.042 0.000 1.022 266 S CA 1.666 59.896 58.200 0.050 0.000 0.983 266 S CB -0.556 62.749 63.200 0.174 0.000 0.803 266 S HN 0.536 nan 8.310 nan 0.000 0.480 267 M N 0.757 120.152 119.600 -0.343 0.000 2.123 267 M HA 0.083 4.563 4.480 -0.000 0.000 0.263 267 M C 2.589 178.628 176.300 -0.435 0.000 1.069 267 M CA 1.502 56.374 55.300 -0.713 0.000 1.133 267 M CB -0.320 31.675 32.600 -1.008 0.000 1.356 267 M HN 0.283 nan 8.290 nan 0.000 0.415 268 R N 1.207 121.549 120.500 -0.263 0.000 2.105 268 R HA -0.156 4.184 4.340 -0.000 0.000 0.239 268 R C 1.898 178.109 176.300 -0.148 0.000 1.135 268 R CA 1.829 57.818 56.100 -0.185 0.000 0.967 268 R CB -0.405 29.854 30.300 -0.069 0.000 0.861 268 R HN 0.244 nan 8.270 nan 0.000 0.442 269 K N -0.178 120.163 120.400 -0.098 0.000 2.002 269 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 269 K C 2.182 178.738 176.600 -0.073 0.000 1.048 269 K CA 1.911 58.161 56.287 -0.061 0.000 0.930 269 K CB -0.168 32.319 32.500 -0.021 0.000 0.714 269 K HN 0.362 nan 8.250 nan 0.000 0.438 270 Q N 0.107 119.871 119.800 -0.060 0.000 2.083 270 Q HA -0.098 4.242 4.340 -0.000 0.000 0.198 270 Q C 1.892 177.796 176.000 -0.160 0.000 0.969 270 Q CA 1.338 57.105 55.803 -0.060 0.000 0.838 270 Q CB 0.120 28.896 28.738 0.064 0.000 0.900 270 Q HN 0.367 nan 8.270 nan 0.000 0.436 271 L N -0.551 120.500 121.223 -0.286 0.000 2.416 271 L HA 0.243 4.583 4.340 -0.000 0.000 0.216 271 L C 1.475 178.158 176.870 -0.311 0.000 1.098 271 L CA 0.246 54.834 54.840 -0.421 0.000 0.840 271 L CB -0.369 41.193 42.059 -0.828 0.000 0.981 271 L HN 0.481 nan 8.230 nan 0.000 0.462 272 G N 1.029 109.686 108.800 -0.238 0.000 2.596 272 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.295 272 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.295 272 G C 0.354 175.145 174.900 -0.183 0.000 1.240 272 G CA 0.481 45.479 45.100 -0.171 0.000 0.985 272 G HN 0.266 nan 8.290 nan 0.000 0.555 273 D N 0.902 121.220 120.400 -0.137 0.000 2.378 273 D HA 0.046 4.686 4.640 -0.000 0.000 0.227 273 D C 2.483 178.698 176.300 -0.142 0.000 1.012 273 D CA 0.341 54.266 54.000 -0.125 0.000 0.905 273 D CB -0.094 40.654 40.800 -0.087 0.000 0.895 273 D HN 0.444 nan 8.370 nan 0.000 0.532 274 R N -0.351 120.041 120.500 -0.179 0.000 2.148 274 R HA 0.067 4.407 4.340 -0.000 0.000 0.227 274 R C 0.716 176.900 176.300 -0.193 0.000 1.103 274 R CA 0.357 56.365 56.100 -0.153 0.000 0.983 274 R CB 0.183 30.379 30.300 -0.173 0.000 0.874 274 R HN 0.134 nan 8.270 nan 0.000 0.451 275 L N 2.932 123.951 121.223 -0.340 0.000 2.278 275 L HA 0.229 4.569 4.340 -0.000 0.000 0.287 275 L C -2.143 174.564 176.870 -0.271 0.000 1.072 275 L CA -2.139 52.462 54.840 -0.397 0.000 0.819 275 L CB 1.104 42.805 42.059 -0.597 0.000 1.176 275 L HN -0.161 nan 8.230 nan 0.000 0.435 276 P HA 0.064 nan 4.420 nan 0.000 0.271 276 P C -0.664 176.448 177.300 -0.314 0.000 1.233 276 P CA -0.197 62.648 63.100 -0.423 0.000 0.789 276 P CB 0.522 31.676 31.700 -0.909 0.000 0.951 277 T N 2.074 116.487 114.554 -0.236 0.000 2.767 277 T HA 0.375 4.725 4.350 -0.000 0.000 0.288 277 T C -0.015 174.659 174.700 -0.043 0.000 0.963 277 T CA -0.165 61.905 62.100 -0.050 0.000 1.019 277 T CB -0.271 68.598 68.868 0.001 0.000 0.923 277 T HN 0.077 nan 8.240 nan 0.000 0.468 278 F N 3.169 123.220 119.950 0.168 0.000 2.578 278 F HA 0.186 4.713 4.527 -0.000 0.000 0.376 278 F C 1.906 177.767 175.800 0.101 0.000 1.085 278 F CA -0.429 57.688 58.000 0.195 0.000 1.260 278 F CB 0.191 39.248 39.000 0.095 0.000 1.095 278 F HN 0.507 nan 8.300 nan 0.000 0.573 279 T N 1.366 116.078 114.554 0.264 0.000 2.868 279 T HA 0.177 4.527 4.350 -0.000 0.000 0.292 279 T C -1.839 172.958 174.700 0.161 0.000 1.028 279 T CA -1.662 60.535 62.100 0.162 0.000 1.059 279 T CB 1.234 70.173 68.868 0.118 0.000 0.991 279 T HN 0.284 nan 8.240 nan 0.000 0.531 280 P HA -0.129 nan 4.420 nan 0.000 0.217 280 P C 1.200 178.543 177.300 0.072 0.000 1.151 280 P CA 1.234 64.380 63.100 0.077 0.000 0.849 280 P CB 0.024 31.756 31.700 0.053 0.000 0.787 281 E N -0.278 119.966 120.200 0.074 0.000 2.072 281 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 281 E C 1.963 178.610 176.600 0.078 0.000 0.985 281 E CA 1.146 57.583 56.400 0.061 0.000 0.801 281 E CB -0.758 28.975 29.700 0.054 0.000 0.750 281 E HN 0.419 nan 8.360 nan 0.000 0.452 282 E N 0.516 120.794 120.200 0.131 0.000 2.072 282 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 282 E C 2.190 178.880 176.600 0.150 0.000 0.985 282 E CA 0.870 57.379 56.400 0.181 0.000 0.801 282 E CB -0.116 29.767 29.700 0.305 0.000 0.750 282 E HN 0.110 nan 8.360 nan 0.000 0.452 283 R N 0.934 121.504 120.500 0.115 0.000 2.081 283 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 283 R C 2.241 178.515 176.300 -0.044 0.000 1.131 283 R CA 1.359 57.400 56.100 -0.098 0.000 0.960 283 R CB -0.223 30.020 30.300 -0.095 0.000 0.856 283 R HN 0.144 nan 8.270 nan 0.000 0.436 284 A N 0.970 123.794 122.820 0.008 0.000 1.933 284 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 284 A C 2.164 179.740 177.584 -0.013 0.000 1.175 284 A CA 1.236 53.274 52.037 0.002 0.000 0.628 284 A CB -0.434 18.570 19.000 0.007 0.000 0.814 284 A HN 0.369 nan 8.150 nan 0.000 0.444 285 L N -0.963 120.258 121.223 -0.003 0.000 2.072 285 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 285 L C 2.462 179.316 176.870 -0.026 0.000 1.079 285 L CA 0.935 55.768 54.840 -0.012 0.000 0.752 285 L CB -0.330 41.737 42.059 0.013 0.000 0.906 285 L HN 0.251 nan 8.230 nan 0.000 0.436 286 V N -1.856 118.040 119.914 -0.029 0.000 2.446 286 V HA -0.181 3.939 4.120 -0.000 0.000 0.244 286 V C 1.269 177.329 176.094 -0.056 0.000 1.039 286 V CA 0.511 62.785 62.300 -0.043 0.000 1.045 286 V CB -0.565 31.194 31.823 -0.108 0.000 0.681 286 V HN 0.390 nan 8.190 nan 0.000 0.459 287 H N 0.385 119.328 119.070 -0.211 0.000 3.026 287 H HA 0.358 4.914 4.556 -0.000 0.000 0.289 287 H C 1.237 176.476 175.328 -0.149 0.000 1.022 287 H CA 0.476 56.404 56.048 -0.200 0.000 1.477 287 H CB 0.055 29.705 29.762 -0.187 0.000 1.510 287 H HN 0.454 nan 8.280 nan 0.000 0.535 288 G N 3.261 111.999 108.800 -0.104 0.000 2.144 288 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.218 288 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.218 288 G C 0.877 175.682 174.900 -0.159 0.000 0.988 288 G CA 0.438 45.420 45.100 -0.197 0.000 0.659 288 G HN 0.698 nan 8.290 nan 0.000 0.522 289 S N -0.844 114.770 115.700 -0.144 0.000 2.671 289 S HA 0.320 4.790 4.470 -0.000 0.000 0.220 289 S C 0.426 174.987 174.600 -0.065 0.000 0.951 289 S CA 0.103 58.244 58.200 -0.099 0.000 0.932 289 S CB 0.316 63.471 63.200 -0.076 0.000 0.777 289 S HN 0.295 nan 8.310 nan 0.000 0.508 290 N N 2.048 120.642 118.700 -0.177 0.000 2.446 290 N HA 0.355 5.095 4.740 -0.000 0.000 0.265 290 N C -0.371 175.085 175.510 -0.089 0.000 0.975 290 N CA -0.455 52.481 53.050 -0.190 0.000 0.928 290 N CB 1.671 39.982 38.487 -0.293 0.000 1.160 290 N HN 0.026 nan 8.380 nan 0.000 0.495 291 D N 0.918 121.269 120.400 -0.082 0.000 2.224 291 D HA 0.001 4.641 4.640 -0.000 0.000 0.205 291 D C 0.216 176.688 176.300 0.286 0.000 0.965 291 D CA 1.200 55.264 54.000 0.107 0.000 0.852 291 D CB 0.189 41.103 40.800 0.189 0.000 0.947 291 D HN 0.560 nan 8.370 nan 0.000 0.494 292 F N -2.214 117.895 119.950 0.266 0.000 2.662 292 F HA 0.460 4.987 4.527 0.000 0.000 0.312 292 F C -1.292 174.753 175.800 0.408 0.000 1.113 292 F CA -1.879 56.350 58.000 0.381 0.000 0.951 292 F CB 0.910 40.208 39.000 0.498 0.000 1.344 292 F HN -0.274 nan 8.300 nan 0.000 0.462 293 Y N 1.502 122.138 120.300 0.559 0.000 2.367 293 Y HA 0.639 5.189 4.550 -0.000 0.000 0.342 293 Y C 0.261 176.525 175.900 0.606 0.000 0.979 293 Y CA -0.744 57.623 58.100 0.445 0.000 1.161 293 Y CB 1.114 39.792 38.460 0.365 0.000 1.155 293 Y HN 0.988 nan 8.280 nan 0.000 0.503 294 G N 7.326 116.327 108.800 0.334 0.000 2.325 294 G HA2 0.414 4.374 3.960 -0.000 0.000 0.298 294 G HA3 0.414 4.374 3.960 -0.000 0.000 0.298 294 G C -1.149 173.931 174.900 0.301 0.000 1.134 294 G CA -0.808 44.564 45.100 0.454 0.000 0.876 294 G HN 0.692 nan 8.290 nan 0.000 0.452 295 M N 3.213 123.091 119.600 0.463 0.000 2.197 295 M HA 0.361 4.841 4.480 -0.000 0.000 0.301 295 M C -1.452 175.022 176.300 0.291 0.000 0.987 295 M CA -0.885 54.694 55.300 0.464 0.000 0.921 295 M CB 1.563 34.516 32.600 0.589 0.000 1.569 295 M HN 0.350 nan 8.290 nan 0.000 0.431 296 N N 3.047 121.862 118.700 0.192 0.000 2.421 296 N HA 0.481 5.221 4.740 -0.000 0.000 0.285 296 N C -1.618 173.944 175.510 0.087 0.000 1.027 296 N CA -0.204 52.913 53.050 0.112 0.000 0.918 296 N CB 1.190 39.755 38.487 0.131 0.000 1.152 296 N HN 0.668 nan 8.380 nan 0.000 0.485 297 H N 0.583 119.553 119.070 -0.167 0.000 2.954 297 H HA 0.349 4.904 4.556 -0.000 0.000 0.361 297 H C -0.978 174.195 175.328 -0.259 0.000 1.122 297 H CA -0.397 55.568 56.048 -0.139 0.000 1.217 297 H CB 0.680 30.390 29.762 -0.086 0.000 1.776 297 H HN 0.580 nan 8.280 nan 0.000 0.533 298 Y N 1.572 121.570 120.300 -0.504 0.000 2.640 298 Y HA 0.283 4.832 4.550 -0.000 0.000 0.274 298 Y C 0.890 176.817 175.900 0.045 0.000 1.164 298 Y CA 0.608 58.669 58.100 -0.065 0.000 1.189 298 Y CB 1.374 40.029 38.460 0.326 0.000 1.333 298 Y HN 0.636 nan 8.280 nan 0.000 0.494 299 T N -1.336 113.283 114.554 0.108 0.000 2.665 299 T HA 0.693 5.043 4.350 -0.000 0.000 0.303 299 T C -1.354 173.593 174.700 0.412 0.000 1.334 299 T CA -0.431 61.900 62.100 0.385 0.000 1.011 299 T CB 1.324 70.482 68.868 0.483 0.000 1.573 299 T HN -0.073 nan 8.240 nan 0.000 0.492 300 S N 0.456 116.420 115.700 0.441 0.000 2.618 300 S HA 0.777 5.247 4.470 -0.000 0.000 0.277 300 S C -1.446 173.336 174.600 0.302 0.000 1.138 300 S CA -0.842 57.613 58.200 0.425 0.000 0.844 300 S CB 1.631 65.158 63.200 0.546 0.000 1.127 300 S HN 0.778 nan 8.310 nan 0.000 0.474 301 N N -0.650 118.170 118.700 0.201 0.000 2.416 301 N HA 0.534 5.274 4.740 -0.000 0.000 0.276 301 N C -1.959 173.577 175.510 0.043 0.000 1.261 301 N CA -0.687 52.415 53.050 0.087 0.000 0.790 301 N CB 0.774 39.308 38.487 0.079 0.000 1.554 301 N HN 0.455 nan 8.380 nan 0.000 0.481 302 Y N 0.616 121.052 120.300 0.227 0.000 2.299 302 Y HA 0.432 4.982 4.550 -0.000 0.000 0.326 302 Y C 0.032 176.033 175.900 0.168 0.000 1.164 302 Y CA -0.316 57.933 58.100 0.249 0.000 1.234 302 Y CB 0.669 39.312 38.460 0.305 0.000 1.219 302 Y HN 0.196 nan 8.280 nan 0.000 0.497 303 I N 3.587 124.356 120.570 0.331 0.000 2.436 303 I HA 0.391 4.561 4.170 -0.000 0.000 0.289 303 I C -0.371 175.868 176.117 0.203 0.000 1.010 303 I CA -0.967 60.438 61.300 0.175 0.000 1.098 303 I CB 1.743 39.792 38.000 0.082 0.000 1.266 303 I HN 0.576 nan 8.210 nan 0.000 0.434 304 R N 5.773 126.316 120.500 0.071 0.000 2.494 304 R HA 0.353 4.693 4.340 -0.000 0.000 0.305 304 R C 0.042 176.313 176.300 -0.048 0.000 0.959 304 R CA -0.561 55.538 56.100 -0.002 0.000 0.864 304 R CB 1.208 31.292 30.300 -0.360 0.000 1.159 304 R HN 0.730 nan 8.270 nan 0.000 0.446 305 H N 3.048 122.096 119.070 -0.037 0.000 2.822 305 H HA 0.194 4.750 4.556 -0.000 0.000 0.373 305 H C -0.826 174.447 175.328 -0.092 0.000 1.223 305 H CA 0.071 56.087 56.048 -0.055 0.000 1.436 305 H CB 0.802 30.551 29.762 -0.021 0.000 1.439 305 H HN 0.500 nan 8.280 nan 0.000 0.618 306 R N 0.271 120.708 120.500 -0.106 0.000 2.787 306 R HA 0.218 4.558 4.340 -0.000 0.000 0.271 306 R C 0.929 177.200 176.300 -0.049 0.000 0.993 306 R CA -0.247 55.752 56.100 -0.168 0.000 0.993 306 R CB 1.437 31.663 30.300 -0.123 0.000 1.155 306 R HN 0.841 nan 8.270 nan 0.000 0.486 307 S N -1.114 114.539 115.700 -0.079 0.000 2.548 307 S HA 0.053 4.523 4.470 -0.000 0.000 0.215 307 S C 0.652 175.245 174.600 -0.010 0.000 0.976 307 S CA -0.163 58.029 58.200 -0.012 0.000 0.908 307 S CB 0.421 63.596 63.200 -0.041 0.000 0.781 307 S HN 0.347 nan 8.310 nan 0.000 0.519 308 S N 2.405 118.086 115.700 -0.032 0.000 2.566 308 S HA 0.661 5.131 4.470 -0.000 0.000 0.298 308 S C -2.934 171.643 174.600 -0.038 0.000 1.083 308 S CA -1.686 56.495 58.200 -0.033 0.000 0.978 308 S CB 1.196 64.370 63.200 -0.043 0.000 1.073 308 S HN 0.179 nan 8.310 nan 0.000 0.491 309 P HA 0.232 nan 4.420 nan 0.000 0.269 309 P C -0.744 176.522 177.300 -0.057 0.000 1.215 309 P CA -0.260 62.814 63.100 -0.044 0.000 0.780 309 P CB 0.211 31.888 31.700 -0.038 0.000 0.898 310 A N 2.849 125.625 122.820 -0.072 0.000 2.483 310 A HA 0.336 4.656 4.320 -0.000 0.000 0.238 310 A C 0.941 178.486 177.584 -0.064 0.000 1.070 310 A CA -0.031 51.956 52.037 -0.083 0.000 0.770 310 A CB -0.532 18.400 19.000 -0.114 0.000 1.008 310 A HN 0.654 nan 8.150 nan 0.000 0.497 311 S N 1.089 116.754 115.700 -0.058 0.000 2.624 311 S HA 0.469 4.939 4.470 -0.000 0.000 0.263 311 S C 1.265 175.846 174.600 -0.032 0.000 1.287 311 S CA -0.147 58.028 58.200 -0.043 0.000 0.990 311 S CB 1.074 64.250 63.200 -0.039 0.000 0.950 311 S HN 1.615 nan 8.310 nan 0.000 0.561 312 A N 0.828 123.636 122.820 -0.020 0.000 2.015 312 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 312 A C 1.689 179.293 177.584 0.033 0.000 1.163 312 A CA 1.492 53.528 52.037 -0.000 0.000 0.646 312 A CB -0.960 18.040 19.000 -0.001 0.000 0.806 312 A HN 0.953 nan 8.150 nan 0.000 0.448 313 D N -0.276 120.132 120.400 0.012 0.000 2.340 313 D HA -0.045 4.594 4.640 -0.000 0.000 0.220 313 D C 0.184 176.495 176.300 0.018 0.000 1.039 313 D CA -0.064 53.945 54.000 0.016 0.000 0.866 313 D CB -0.505 40.288 40.800 -0.012 0.000 0.913 313 D HN 0.397 nan 8.370 nan 0.000 0.523 314 D N 0.648 121.055 120.400 0.012 0.000 2.389 314 D HA 0.004 4.644 4.640 -0.000 0.000 0.247 314 D C 0.654 177.003 176.300 0.082 0.000 1.128 314 D CA 0.500 54.492 54.000 -0.013 0.000 0.884 314 D CB 1.281 42.035 40.800 -0.076 0.000 1.194 314 D HN 0.161 nan 8.370 nan 0.000 0.441 315 T N -0.357 114.228 114.554 0.052 0.000 3.004 315 T HA 0.047 4.397 4.350 -0.000 0.000 0.266 315 T C 1.511 176.275 174.700 0.107 0.000 0.986 315 T CA 0.345 62.562 62.100 0.194 0.000 0.902 315 T CB -0.125 68.749 68.868 0.010 0.000 1.118 315 T HN 0.262 nan 8.240 nan 0.000 0.522 316 V N -1.585 118.265 119.914 -0.106 0.000 3.590 316 V HA 0.678 4.798 4.120 -0.000 0.000 0.265 316 V C 1.617 177.405 176.094 -0.511 0.000 1.239 316 V CA 0.531 62.717 62.300 -0.190 0.000 1.117 316 V CB -0.608 31.112 31.823 -0.171 0.000 0.818 316 V HN 0.794 nan 8.190 nan 0.000 0.451 317 G N 0.966 109.195 108.800 -0.953 0.000 2.145 317 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.176 317 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.176 317 G C 0.138 174.634 174.900 -0.674 0.000 1.013 317 G CA 0.193 44.349 45.100 -1.573 0.000 0.689 317 G HN 1.205 nan 8.290 nan 0.000 0.506 318 N N -2.175 116.272 118.700 -0.423 0.000 2.746 318 N HA -0.089 4.651 4.740 -0.000 0.000 0.250 318 N C -0.003 175.398 175.510 -0.182 0.000 1.055 318 N CA 2.071 54.975 53.050 -0.242 0.000 0.699 318 N CB -1.225 37.143 38.487 -0.198 0.000 0.919 318 N HN 2.068 nan 8.380 nan 0.000 0.548 319 V N -2.610 117.198 119.914 -0.177 0.000 3.078 319 V HA 0.729 4.849 4.120 -0.000 0.000 0.311 319 V C -0.304 175.714 176.094 -0.126 0.000 1.138 319 V CA -1.145 61.079 62.300 -0.128 0.000 1.007 319 V CB 2.284 34.047 31.823 -0.099 0.000 1.045 319 V HN 0.058 nan 8.190 nan 0.000 0.432 320 D N 1.933 122.257 120.400 -0.126 0.000 2.256 320 D HA 0.536 5.176 4.640 -0.000 0.000 0.250 320 D C -0.389 175.858 176.300 -0.089 0.000 1.093 320 D CA 0.039 53.961 54.000 -0.130 0.000 0.882 320 D CB 2.028 42.716 40.800 -0.187 0.000 1.185 320 D HN 0.540 nan 8.370 nan 0.000 0.437 321 V N 3.714 123.572 119.914 -0.094 0.000 2.347 321 V HA 0.428 4.548 4.120 -0.000 0.000 0.280 321 V C 0.240 176.229 176.094 -0.175 0.000 1.021 321 V CA -0.559 61.686 62.300 -0.091 0.000 0.847 321 V CB 0.869 32.637 31.823 -0.090 0.000 0.990 321 V HN 0.315 nan 8.190 nan 0.000 0.444 322 L N 3.405 124.553 121.223 -0.124 0.000 2.327 322 L HA 0.597 4.937 4.340 -0.000 0.000 0.258 322 L C -0.052 176.760 176.870 -0.096 0.000 1.024 322 L CA -0.466 54.304 54.840 -0.118 0.000 0.825 322 L CB 2.160 44.308 42.059 0.148 0.000 1.386 322 L HN 0.437 nan 8.230 nan 0.000 0.417 323 F N -1.107 119.044 119.950 0.334 0.000 2.731 323 F HA 0.134 4.661 4.527 0.000 0.000 0.298 323 F C 1.069 177.172 175.800 0.505 0.000 1.106 323 F CA -0.229 57.980 58.000 0.350 0.000 1.329 323 F CB 0.662 39.804 39.000 0.236 0.000 1.100 323 F HN 0.489 nan 8.300 nan 0.000 0.592 324 T N -1.421 113.495 114.554 0.604 0.000 2.907 324 T HA 0.549 4.899 4.350 -0.000 0.000 0.292 324 T C -0.480 174.239 174.700 0.032 0.000 1.043 324 T CA -0.941 61.369 62.100 0.350 0.000 1.003 324 T CB 2.454 71.471 68.868 0.249 0.000 1.084 324 T HN 0.058 nan 8.240 nan 0.000 0.483 325 N N 0.550 118.899 118.700 -0.586 0.000 2.813 325 N HA 0.335 5.075 4.740 -0.000 0.000 0.320 325 N C 0.918 175.863 175.510 -0.942 0.000 1.315 325 N CA -1.223 51.227 53.050 -1.000 0.000 0.871 325 N CB 0.917 38.496 38.487 -1.513 0.000 1.241 325 N HN 0.746 nan 8.380 nan 0.000 0.602 326 K N -1.023 118.459 120.400 -1.530 0.000 2.147 326 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 326 K C 0.928 177.199 176.600 -0.548 0.000 1.049 326 K CA 1.375 56.871 56.287 -1.319 0.000 0.936 326 K CB 0.001 31.612 32.500 -1.482 0.000 0.722 326 K HN 0.463 nan 8.250 nan 0.000 0.446 327 Q N -0.846 118.688 119.800 -0.445 0.000 2.444 327 Q HA 0.143 4.483 4.340 -0.000 0.000 0.206 327 Q C 0.765 176.669 176.000 -0.161 0.000 0.948 327 Q CA 0.813 56.471 55.803 -0.242 0.000 0.946 327 Q CB 0.803 29.422 28.738 -0.198 0.000 1.027 327 Q HN 0.583 nan 8.270 nan 0.000 0.513 328 G N 0.081 108.776 108.800 -0.174 0.000 2.157 328 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.248 328 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.248 328 G C -0.186 174.692 174.900 -0.037 0.000 0.979 328 G CA 0.009 45.068 45.100 -0.068 0.000 0.650 328 G HN 0.421 nan 8.290 nan 0.000 0.529 329 N N -0.595 118.053 118.700 -0.086 0.000 2.482 329 N HA 0.493 5.233 4.740 -0.000 0.000 0.260 329 N C 0.119 175.716 175.510 0.146 0.000 1.236 329 N CA 0.574 53.631 53.050 0.012 0.000 0.938 329 N CB 1.229 39.724 38.487 0.013 0.000 1.128 329 N HN 0.440 nan 8.380 nan 0.000 0.448 330 C N 2.823 122.265 119.300 0.238 0.000 2.456 330 C HA 0.424 4.884 4.460 -0.000 0.000 0.325 330 C C 1.724 176.917 174.990 0.340 0.000 1.217 330 C CA -0.720 58.499 59.018 0.335 0.000 1.687 330 C CB -0.348 27.519 27.740 0.211 0.000 2.270 330 C HN 0.706 nan 8.230 nan 0.000 0.499 331 I N 3.333 124.116 120.570 0.355 0.000 2.208 331 I HA 0.132 4.302 4.170 -0.000 0.000 0.245 331 I C 1.420 177.636 176.117 0.166 0.000 1.097 331 I CA 2.226 63.621 61.300 0.158 0.000 1.363 331 I CB -1.336 36.756 38.000 0.154 0.000 1.051 331 I HN 0.971 nan 8.210 nan 0.000 0.413 332 G N -0.003 108.912 108.800 0.191 0.000 2.328 332 G HA2 0.331 4.291 3.960 -0.000 0.000 0.295 332 G HA3 0.331 4.291 3.960 -0.000 0.000 0.295 332 G C -3.009 171.985 174.900 0.157 0.000 1.413 332 G CA -0.674 44.527 45.100 0.168 0.000 0.817 332 G HN -0.191 nan 8.290 nan 0.000 0.546 333 P HA 0.245 nan 4.420 nan 0.000 0.272 333 P C -0.168 177.224 177.300 0.152 0.000 1.223 333 P CA 0.036 63.248 63.100 0.186 0.000 0.784 333 P CB 0.976 32.862 31.700 0.310 0.000 0.923 334 E N 0.224 120.446 120.200 0.036 0.000 2.404 334 E HA 0.212 4.562 4.350 -0.000 0.000 0.261 334 E C 0.692 177.207 176.600 -0.142 0.000 1.074 334 E CA 0.207 56.561 56.400 -0.077 0.000 0.917 334 E CB 0.441 30.071 29.700 -0.116 0.000 0.965 334 E HN 0.563 nan 8.360 nan 0.000 0.433 335 T N -1.110 113.315 114.554 -0.215 0.000 2.676 335 T HA 0.123 4.473 4.350 -0.000 0.000 0.269 335 T C 0.683 175.199 174.700 -0.307 0.000 0.952 335 T CA -0.748 61.144 62.100 -0.346 0.000 1.040 335 T CB 1.020 69.692 68.868 -0.327 0.000 1.352 335 T HN 0.304 nan 8.240 nan 0.000 0.554 336 Q N 0.278 119.879 119.800 -0.333 0.000 2.389 336 Q HA 0.289 4.629 4.340 -0.000 0.000 0.204 336 Q C 0.192 176.075 176.000 -0.196 0.000 0.944 336 Q CA 0.521 56.184 55.803 -0.233 0.000 0.908 336 Q CB -0.204 28.407 28.738 -0.211 0.000 1.002 336 Q HN 0.630 nan 8.270 nan 0.000 0.493 337 S N 1.893 117.404 115.700 -0.315 0.000 2.410 337 S HA 0.261 4.731 4.470 -0.000 0.000 0.304 337 S C -2.107 172.251 174.600 -0.402 0.000 1.095 337 S CA -1.203 56.751 58.200 -0.410 0.000 1.089 337 S CB 1.445 64.121 63.200 -0.872 0.000 0.968 337 S HN 0.178 nan 8.310 nan 0.000 0.480 338 P HA -0.091 nan 4.420 nan 0.000 0.219 338 P C 1.303 178.689 177.300 0.143 0.000 1.146 338 P CA 0.821 63.919 63.100 -0.003 0.000 0.808 338 P CB 0.034 31.815 31.700 0.136 0.000 0.779 339 W N -1.685 119.750 121.300 0.225 0.000 3.003 339 W HA 0.240 4.900 4.660 0.000 0.000 0.257 339 W C -0.081 176.642 176.519 0.341 0.000 1.308 339 W CA -0.106 57.436 57.345 0.327 0.000 1.529 339 W CB -0.778 28.818 29.460 0.227 0.000 1.115 339 W HN -0.088 nan 8.180 nan 0.000 0.659 340 L N 3.584 124.644 121.223 -0.272 0.000 2.277 340 L HA 0.473 4.813 4.340 -0.000 0.000 0.284 340 L C -0.576 176.293 176.870 -0.001 0.000 1.028 340 L CA -0.401 54.289 54.840 -0.250 0.000 0.835 340 L CB 0.598 42.154 42.059 -0.837 0.000 1.215 340 L HN -0.270 nan 8.230 nan 0.000 0.425 341 R N 5.018 125.651 120.500 0.222 0.000 2.439 341 R HA 0.469 4.809 4.340 -0.000 0.000 0.310 341 R C -2.669 173.842 176.300 0.351 0.000 0.955 341 R CA -2.518 53.730 56.100 0.247 0.000 0.853 341 R CB 1.493 31.953 30.300 0.267 0.000 1.171 341 R HN 0.346 nan 8.270 nan 0.000 0.449 342 P HA 0.033 nan 4.420 nan 0.000 0.267 342 P C -0.338 177.171 177.300 0.348 0.000 1.205 342 P CA -0.066 63.328 63.100 0.490 0.000 0.765 342 P CB 0.516 32.453 31.700 0.396 0.000 0.828 343 C N 4.200 123.717 119.300 0.362 0.000 3.384 343 C HA 0.549 5.009 4.460 -0.000 0.000 0.294 343 C C 1.568 176.478 174.990 -0.133 0.000 1.062 343 C CA 0.039 59.145 59.018 0.147 0.000 1.325 343 C CB -1.032 26.858 27.740 0.249 0.000 1.793 343 C HN 0.695 nan 8.230 nan 0.000 0.563 344 A N 2.771 125.336 122.820 -0.426 0.000 1.972 344 A HA 0.098 4.418 4.320 -0.000 0.000 0.219 344 A C 2.319 179.705 177.584 -0.330 0.000 1.169 344 A CA 2.138 53.684 52.037 -0.819 0.000 0.635 344 A CB -0.418 18.238 19.000 -0.574 0.000 0.810 344 A HN 1.513 nan 8.150 nan 0.000 0.446 345 A N -0.478 122.260 122.820 -0.137 0.000 2.019 345 A HA 0.116 4.436 4.320 -0.000 0.000 0.219 345 A C 2.321 179.933 177.584 0.046 0.000 1.164 345 A CA 1.775 53.787 52.037 -0.042 0.000 0.644 345 A CB -1.221 17.774 19.000 -0.008 0.000 0.805 345 A HN 0.731 nan 8.150 nan 0.000 0.449 346 G N -1.397 107.518 108.800 0.192 0.000 2.448 346 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.219 346 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.219 346 G C 1.352 176.327 174.900 0.125 0.000 1.127 346 G CA 1.068 46.360 45.100 0.320 0.000 0.766 346 G HN 0.447 nan 8.290 nan 0.000 0.552 347 F N 1.690 121.578 119.950 -0.103 0.000 2.113 347 F HA 0.065 4.592 4.527 -0.000 0.000 0.297 347 F C 2.564 178.216 175.800 -0.247 0.000 1.103 347 F CA 1.248 59.059 58.000 -0.314 0.000 1.248 347 F CB -0.516 38.425 39.000 -0.099 0.000 0.999 347 F HN 0.128 nan 8.300 nan 0.000 0.475 348 R N 0.269 120.618 120.500 -0.251 0.000 2.091 348 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 348 R C 1.780 177.895 176.300 -0.308 0.000 1.136 348 R CA 2.213 58.121 56.100 -0.320 0.000 0.959 348 R CB -0.600 29.569 30.300 -0.218 0.000 0.856 348 R HN 0.214 nan 8.270 nan 0.000 0.437 349 D N -0.408 119.745 120.400 -0.411 0.000 2.144 349 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 349 D C 1.550 177.357 176.300 -0.821 0.000 0.978 349 D CA 0.921 54.485 54.000 -0.726 0.000 0.833 349 D CB -0.271 39.805 40.800 -1.206 0.000 0.961 349 D HN 0.226 nan 8.370 nan 0.000 0.470 350 F N 0.771 120.269 119.950 -0.752 0.000 2.163 350 F HA -0.053 4.474 4.527 -0.000 0.000 0.297 350 F C 2.140 177.904 175.800 -0.059 0.000 1.094 350 F CA 0.683 58.549 58.000 -0.223 0.000 1.290 350 F CB 0.037 38.987 39.000 -0.084 0.000 1.017 350 F HN -0.127 nan 8.300 nan 0.000 0.483 351 L N -0.657 120.605 121.223 0.065 0.000 2.043 351 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 351 L C 2.243 179.066 176.870 -0.079 0.000 1.075 351 L CA 1.095 55.925 54.840 -0.016 0.000 0.752 351 L CB -0.810 41.142 42.059 -0.179 0.000 0.891 351 L HN 0.008 nan 8.230 nan 0.000 0.432 352 V N -1.634 118.212 119.914 -0.113 0.000 2.358 352 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 352 V C 2.033 178.047 176.094 -0.133 0.000 1.047 352 V CA 1.773 63.995 62.300 -0.128 0.000 1.035 352 V CB -0.654 31.111 31.823 -0.096 0.000 0.658 352 V HN 0.605 nan 8.190 nan 0.000 0.452 353 W N 0.739 121.894 121.300 -0.243 0.000 2.333 353 W HA -0.214 4.446 4.660 -0.000 0.000 0.316 353 W C 2.229 178.566 176.519 -0.303 0.000 1.215 353 W CA 2.023 59.224 57.345 -0.240 0.000 1.278 353 W CB -0.280 29.044 29.460 -0.227 0.000 1.154 353 W HN 0.166 nan 8.180 nan 0.000 0.486 354 I N 0.043 120.588 120.570 -0.043 0.000 2.163 354 I HA -0.406 3.764 4.170 -0.000 0.000 0.243 354 I C 2.544 178.383 176.117 -0.463 0.000 1.085 354 I CA 1.882 63.060 61.300 -0.205 0.000 1.347 354 I CB -0.868 37.032 38.000 -0.167 0.000 1.044 354 I HN -0.109 nan 8.210 nan 0.000 0.408 355 S N 0.406 115.813 115.700 -0.487 0.000 2.368 355 S HA -0.178 4.292 4.470 -0.000 0.000 0.225 355 S C 1.931 175.933 174.600 -0.996 0.000 1.030 355 S CA 1.258 58.976 58.200 -0.804 0.000 0.999 355 S CB -0.188 62.420 63.200 -0.986 0.000 0.844 355 S HN 0.376 nan 8.310 nan 0.000 0.459 356 K N 0.769 120.720 120.400 -0.749 0.000 2.097 356 K HA -0.008 4.312 4.320 -0.000 0.000 0.205 356 K C 2.398 178.682 176.600 -0.527 0.000 1.050 356 K CA 0.828 56.815 56.287 -0.500 0.000 0.938 356 K CB -0.114 32.188 32.500 -0.330 0.000 0.718 356 K HN 0.164 nan 8.250 nan 0.000 0.442 357 R N -0.120 119.877 120.500 -0.838 0.000 2.115 357 R HA -0.082 4.258 4.340 -0.000 0.000 0.226 357 R C 0.675 176.435 176.300 -0.899 0.000 1.100 357 R CA 1.208 56.679 56.100 -1.048 0.000 0.980 357 R CB 0.240 29.490 30.300 -1.750 0.000 0.875 357 R HN 0.187 nan 8.270 nan 0.000 0.445 358 Y N -1.132 118.920 120.300 -0.414 0.000 2.660 358 Y HA 0.363 4.913 4.550 -0.000 0.000 0.254 358 Y C 0.701 176.444 175.900 -0.261 0.000 1.176 358 Y CA -0.276 57.575 58.100 -0.415 0.000 1.195 358 Y CB 1.088 39.044 38.460 -0.840 0.000 1.190 358 Y HN 0.217 nan 8.280 nan 0.000 0.535 359 G N -0.125 108.637 108.800 -0.064 0.000 2.225 359 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.264 359 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.264 359 G C -0.327 174.705 174.900 0.221 0.000 1.060 359 G CA -0.115 45.057 45.100 0.120 0.000 0.833 359 G HN 0.398 nan 8.290 nan 0.000 0.498 360 Y N -2.741 117.539 120.300 -0.034 0.000 3.001 360 Y HA -0.185 4.365 4.550 -0.000 0.000 0.187 360 Y C -0.824 175.105 175.900 0.047 0.000 1.462 360 Y CA 0.521 58.618 58.100 -0.006 0.000 0.936 360 Y CB -1.815 36.645 38.460 -0.000 0.000 1.337 360 Y HN 0.531 nan 8.280 nan 0.000 0.428 361 P HA 0.196 nan 4.420 nan 0.000 0.276 361 P C -2.488 174.945 177.300 0.222 0.000 1.252 361 P CA -1.538 61.685 63.100 0.205 0.000 0.802 361 P CB 0.819 32.655 31.700 0.226 0.000 1.035 362 P HA 0.260 nan 4.420 nan 0.000 0.271 362 P C -0.412 177.067 177.300 0.299 0.000 1.220 362 P CA 0.436 63.673 63.100 0.228 0.000 0.768 362 P CB 0.426 32.279 31.700 0.255 0.000 0.848 363 I N 4.058 124.728 120.570 0.167 0.000 2.433 363 I HA 0.303 4.472 4.170 -0.000 0.000 0.292 363 I C -0.266 175.905 176.117 0.090 0.000 1.001 363 I CA -0.950 60.519 61.300 0.281 0.000 1.119 363 I CB 1.263 39.400 38.000 0.229 0.000 1.289 363 I HN 0.261 nan 8.210 nan 0.000 0.438 364 Y N 4.932 125.457 120.300 0.375 0.000 2.328 364 Y HA 0.370 4.920 4.550 -0.000 0.000 0.337 364 Y C 0.019 176.125 175.900 0.343 0.000 0.966 364 Y CA -0.826 57.432 58.100 0.264 0.000 1.136 364 Y CB 1.736 40.277 38.460 0.135 0.000 1.170 364 Y HN 0.167 nan 8.280 nan 0.000 0.470 365 V N 3.859 124.056 119.914 0.472 0.000 2.356 365 V HA 0.019 4.139 4.120 -0.000 0.000 0.258 365 V C 0.845 177.156 176.094 0.361 0.000 1.065 365 V CA 0.238 62.804 62.300 0.443 0.000 0.935 365 V CB 0.116 32.288 31.823 0.583 0.000 1.061 365 V HN 1.028 nan 8.190 nan 0.000 0.484 366 T N 0.931 115.655 114.554 0.284 0.000 3.081 366 T HA 0.236 4.586 4.350 -0.000 0.000 0.255 366 T C 0.391 175.176 174.700 0.141 0.000 1.113 366 T CA 0.143 62.327 62.100 0.140 0.000 1.082 366 T CB 0.180 69.073 68.868 0.041 0.000 0.939 366 T HN 0.658 nan 8.240 nan 0.000 0.506 367 E N 0.589 120.857 120.200 0.114 0.000 2.321 367 E HA 0.563 4.913 4.350 -0.000 0.000 0.281 367 E C -1.649 174.857 176.600 -0.158 0.000 0.910 367 E CA -0.836 55.619 56.400 0.092 0.000 0.770 367 E CB 1.779 31.527 29.700 0.081 0.000 1.225 367 E HN 0.191 nan 8.360 nan 0.000 0.417 368 N N 1.100 119.735 118.700 -0.109 0.000 2.452 368 N HA 0.660 5.400 4.740 -0.000 0.000 0.277 368 N C -1.323 174.286 175.510 0.165 0.000 1.078 368 N CA -0.108 52.797 53.050 -0.242 0.000 0.947 368 N CB 2.146 40.542 38.487 -0.152 0.000 1.655 368 N HN 0.669 nan 8.380 nan 0.000 0.490 369 G N 0.009 108.838 108.800 0.047 0.000 2.320 369 G HA2 0.475 4.435 3.960 -0.000 0.000 0.296 369 G HA3 0.475 4.435 3.960 -0.000 0.000 0.296 369 G C -1.815 172.974 174.900 -0.185 0.000 1.306 369 G CA -0.297 44.849 45.100 0.077 0.000 0.836 369 G HN 0.594 nan 8.290 nan 0.000 0.517 370 T N -1.041 113.353 114.554 -0.268 0.000 2.853 370 T HA 0.712 5.062 4.350 -0.000 0.000 0.311 370 T C 0.203 174.494 174.700 -0.681 0.000 1.307 370 T CA 0.522 62.318 62.100 -0.505 0.000 1.019 370 T CB 1.318 69.627 68.868 -0.932 0.000 1.264 370 T HN 1.699 nan 8.240 nan 0.000 0.497 371 S N 2.405 117.500 115.700 -1.009 0.000 2.707 371 S HA 0.820 5.290 4.470 -0.000 0.000 0.276 371 S C -0.410 173.877 174.600 -0.521 0.000 1.179 371 S CA -0.761 56.922 58.200 -0.860 0.000 0.992 371 S CB 0.657 63.287 63.200 -0.951 0.000 1.030 371 S HN 0.662 nan 8.310 nan 0.000 0.554 372 I N 0.733 121.040 120.570 -0.439 0.000 2.466 372 I HA 0.361 4.531 4.170 -0.000 0.000 0.289 372 I C -0.077 175.806 176.117 -0.390 0.000 1.026 372 I CA -0.729 60.269 61.300 -0.504 0.000 1.078 372 I CB 2.026 39.821 38.000 -0.342 0.000 1.249 372 I HN 0.727 nan 8.210 nan 0.000 0.429 373 K N 4.827 124.966 120.400 -0.434 0.000 2.472 373 K HA 0.151 4.471 4.320 -0.000 0.000 0.280 373 K C 1.066 177.549 176.600 -0.196 0.000 1.028 373 K CA 1.194 57.315 56.287 -0.276 0.000 1.045 373 K CB 0.286 32.633 32.500 -0.255 0.000 0.902 373 K HN 0.935 nan 8.250 nan 0.000 0.478 374 G N 3.135 111.855 108.800 -0.134 0.000 2.153 374 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.252 374 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.252 374 G C 0.624 175.477 174.900 -0.079 0.000 0.994 374 G CA 0.679 45.726 45.100 -0.088 0.000 0.698 374 G HN 0.880 nan 8.290 nan 0.000 0.521 375 E N 0.118 120.261 120.200 -0.095 0.000 2.077 375 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 375 E C 2.424 179.008 176.600 -0.026 0.000 0.989 375 E CA 1.357 57.712 56.400 -0.074 0.000 0.800 375 E CB -0.238 29.412 29.700 -0.084 0.000 0.746 375 E HN 0.461 nan 8.360 nan 0.000 0.452 376 S N 0.675 116.383 115.700 0.013 0.000 2.507 376 S HA -0.096 4.374 4.470 -0.000 0.000 0.235 376 S C 0.839 175.462 174.600 0.039 0.000 0.988 376 S CA 0.844 59.083 58.200 0.066 0.000 0.944 376 S CB -0.029 63.232 63.200 0.101 0.000 0.762 376 S HN 0.308 nan 8.310 nan 0.000 0.526 377 D N 0.692 121.094 120.400 0.002 0.000 2.354 377 D HA 0.179 4.819 4.640 -0.000 0.000 0.209 377 D C 0.384 176.667 176.300 -0.029 0.000 1.015 377 D CA 0.122 54.118 54.000 -0.007 0.000 0.867 377 D CB 0.100 40.892 40.800 -0.013 0.000 0.933 377 D HN 0.333 nan 8.370 nan 0.000 0.520 378 L N 2.236 123.429 121.223 -0.050 0.000 2.436 378 L HA 0.210 4.550 4.340 -0.000 0.000 0.265 378 L C -1.811 174.997 176.870 -0.103 0.000 1.168 378 L CA -1.596 53.198 54.840 -0.076 0.000 0.815 378 L CB 0.280 42.282 42.059 -0.095 0.000 1.109 378 L HN -0.182 nan 8.230 nan 0.000 0.462 379 P HA -0.007 nan 4.420 nan 0.000 0.270 379 P C 0.104 177.271 177.300 -0.222 0.000 1.223 379 P CA -0.356 62.664 63.100 -0.132 0.000 0.785 379 P CB 0.654 32.290 31.700 -0.106 0.000 0.923 380 K N 1.847 122.074 120.400 -0.288 0.000 2.059 380 K HA -0.246 4.074 4.320 -0.000 0.000 0.212 380 K C 1.821 178.191 176.600 -0.382 0.000 1.050 380 K CA 2.350 58.349 56.287 -0.480 0.000 0.927 380 K CB -0.149 32.074 32.500 -0.463 0.000 0.714 380 K HN 0.599 nan 8.250 nan 0.000 0.447 381 E N 0.437 120.488 120.200 -0.248 0.000 2.110 381 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 381 E C 1.667 178.180 176.600 -0.144 0.000 0.988 381 E CA 1.296 57.589 56.400 -0.177 0.000 0.804 381 E CB -0.055 29.572 29.700 -0.123 0.000 0.745 381 E HN 0.291 nan 8.360 nan 0.000 0.458 382 K N 0.378 120.693 120.400 -0.142 0.000 2.167 382 K HA 0.039 4.359 4.320 -0.000 0.000 0.203 382 K C 2.191 178.719 176.600 -0.120 0.000 1.052 382 K CA 1.027 57.250 56.287 -0.105 0.000 0.956 382 K CB -0.038 32.409 32.500 -0.089 0.000 0.735 382 K HN 0.217 nan 8.250 nan 0.000 0.451 383 I N 1.409 121.862 120.570 -0.196 0.000 2.286 383 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 383 I C 2.071 178.107 176.117 -0.135 0.000 1.115 383 I CA 1.193 62.372 61.300 -0.202 0.000 1.392 383 I CB -0.237 37.531 38.000 -0.386 0.000 1.065 383 I HN 0.112 nan 8.210 nan 0.000 0.418 384 L N 0.190 121.319 121.223 -0.158 0.000 2.201 384 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 384 L C 0.877 177.739 176.870 -0.013 0.000 1.105 384 L CA 1.000 55.802 54.840 -0.064 0.000 0.775 384 L CB -0.502 41.514 42.059 -0.072 0.000 0.913 384 L HN 0.235 nan 8.230 nan 0.000 0.440 385 E N 1.564 121.748 120.200 -0.026 0.000 2.261 385 E HA -0.020 4.330 4.350 -0.000 0.000 0.308 385 E C -0.331 176.286 176.600 0.030 0.000 1.400 385 E CA -0.290 56.114 56.400 0.005 0.000 1.542 385 E CB -0.132 29.564 29.700 -0.007 0.000 1.369 385 E HN 0.278 nan 8.360 nan 0.000 0.493 386 D N 0.912 121.346 120.400 0.057 0.000 2.845 386 D HA -0.039 4.601 4.640 -0.000 0.000 0.235 386 D C 0.199 176.581 176.300 0.136 0.000 1.158 386 D CA -0.232 53.822 54.000 0.090 0.000 0.990 386 D CB 0.300 41.161 40.800 0.102 0.000 1.094 386 D HN 0.097 nan 8.370 nan 0.000 0.486 387 D N 0.321 120.793 120.400 0.119 0.000 2.149 387 D HA -0.218 4.422 4.640 -0.000 0.000 0.198 387 D C 1.464 177.861 176.300 0.161 0.000 0.990 387 D CA 0.807 54.879 54.000 0.121 0.000 0.839 387 D CB -0.223 40.630 40.800 0.089 0.000 0.948 387 D HN 0.383 nan 8.370 nan 0.000 0.460 388 F N 1.707 121.682 119.950 0.041 0.000 2.126 388 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 388 F C 2.556 178.401 175.800 0.074 0.000 1.096 388 F CA 1.539 59.566 58.000 0.045 0.000 1.255 388 F CB 0.073 39.077 39.000 0.007 0.000 0.997 388 F HN -0.220 nan 8.300 nan 0.000 0.479 389 R N -0.239 120.455 120.500 0.323 0.000 2.093 389 R HA -0.070 4.270 4.340 -0.000 0.000 0.224 389 R C 2.053 178.522 176.300 0.282 0.000 1.101 389 R CA 1.305 57.552 56.100 0.245 0.000 0.979 389 R CB -0.392 30.054 30.300 0.244 0.000 0.877 389 R HN 0.265 nan 8.270 nan 0.000 0.441 390 V N 1.734 121.796 119.914 0.246 0.000 2.287 390 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 390 V C 2.445 178.644 176.094 0.175 0.000 1.053 390 V CA 2.186 64.623 62.300 0.228 0.000 1.027 390 V CB -0.520 31.389 31.823 0.143 0.000 0.646 390 V HN 0.397 nan 8.190 nan 0.000 0.447 391 K N -1.086 119.367 120.400 0.088 0.000 2.097 391 K HA -0.218 4.102 4.320 -0.000 0.000 0.205 391 K C 2.242 178.858 176.600 0.027 0.000 1.050 391 K CA 1.680 57.975 56.287 0.014 0.000 0.938 391 K CB -0.306 32.149 32.500 -0.076 0.000 0.718 391 K HN 0.536 nan 8.250 nan 0.000 0.442 392 Y N 0.376 120.596 120.300 -0.133 0.000 2.097 392 Y HA -0.331 4.219 4.550 -0.000 0.000 0.282 392 Y C 1.823 177.699 175.900 -0.042 0.000 1.152 392 Y CA 2.090 60.102 58.100 -0.148 0.000 1.136 392 Y CB -0.417 37.844 38.460 -0.332 0.000 0.975 392 Y HN 0.106 nan 8.280 nan 0.000 0.498 393 Y N 0.177 120.670 120.300 0.320 0.000 2.181 393 Y HA -0.306 4.244 4.550 -0.000 0.000 0.288 393 Y C 2.805 178.739 175.900 0.057 0.000 1.146 393 Y CA 1.544 59.782 58.100 0.231 0.000 1.164 393 Y CB -0.606 37.993 38.460 0.231 0.000 0.982 393 Y HN 0.284 nan 8.280 nan 0.000 0.515 394 N N 0.731 119.525 118.700 0.158 0.000 2.069 394 N HA -0.224 4.516 4.740 -0.000 0.000 0.191 394 N C 1.481 176.975 175.510 -0.027 0.000 1.031 394 N CA 1.862 54.917 53.050 0.009 0.000 0.852 394 N CB -0.092 38.389 38.487 -0.010 0.000 1.018 394 N HN 0.515 nan 8.380 nan 0.000 0.423 395 E N -0.952 119.247 120.200 -0.002 0.000 2.107 395 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 395 E C 1.797 178.383 176.600 -0.024 0.000 0.982 395 E CA 0.861 57.235 56.400 -0.043 0.000 0.809 395 E CB -0.143 29.520 29.700 -0.062 0.000 0.756 395 E HN 0.513 nan 8.360 nan 0.000 0.459 396 Y N 0.715 120.944 120.300 -0.117 0.000 2.220 396 Y HA -0.121 4.429 4.550 -0.000 0.000 0.291 396 Y C 2.227 178.249 175.900 0.203 0.000 1.129 396 Y CA 0.697 58.836 58.100 0.064 0.000 1.161 396 Y CB 0.033 38.414 38.460 -0.132 0.000 0.997 396 Y HN -0.022 nan 8.280 nan 0.000 0.522 397 I N -0.229 120.435 120.570 0.157 0.000 2.226 397 I HA -0.334 3.836 4.170 -0.000 0.000 0.245 397 I C 2.310 178.319 176.117 -0.181 0.000 1.100 397 I CA 1.399 62.627 61.300 -0.119 0.000 1.374 397 I CB -0.359 37.386 38.000 -0.425 0.000 1.057 397 I HN 0.157 nan 8.210 nan 0.000 0.413 398 R N 0.638 121.026 120.500 -0.186 0.000 2.096 398 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 398 R C 2.427 178.601 176.300 -0.209 0.000 1.127 398 R CA 1.400 57.353 56.100 -0.246 0.000 0.968 398 R CB -0.436 29.717 30.300 -0.245 0.000 0.861 398 R HN 0.381 nan 8.270 nan 0.000 0.440 399 A N 1.360 124.093 122.820 -0.145 0.000 1.898 399 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 399 A C 2.150 179.579 177.584 -0.259 0.000 1.181 399 A CA 1.346 53.280 52.037 -0.172 0.000 0.620 399 A CB -0.454 18.459 19.000 -0.145 0.000 0.819 399 A HN 0.329 nan 8.150 nan 0.000 0.442 400 M N -0.221 119.204 119.600 -0.292 0.000 2.117 400 M HA -0.122 4.358 4.480 -0.000 0.000 0.262 400 M C 1.803 177.966 176.300 -0.228 0.000 1.065 400 M CA 1.984 57.045 55.300 -0.398 0.000 1.114 400 M CB -0.232 32.233 32.600 -0.226 0.000 1.361 400 M HN 0.168 nan 8.290 nan 0.000 0.408 401 V N 0.633 120.421 119.914 -0.211 0.000 2.407 401 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 401 V C 2.275 178.287 176.094 -0.136 0.000 1.055 401 V CA 2.275 64.462 62.300 -0.190 0.000 1.049 401 V CB -1.160 30.513 31.823 -0.251 0.000 0.662 401 V HN 0.601 nan 8.190 nan 0.000 0.455 402 T N 0.427 114.889 114.554 -0.153 0.000 2.708 402 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 402 T C 2.092 176.738 174.700 -0.090 0.000 1.037 402 T CA 1.580 63.619 62.100 -0.103 0.000 1.146 402 T CB -0.430 68.370 68.868 -0.113 0.000 0.865 402 T HN 0.574 nan 8.240 nan 0.000 0.435 403 A N 0.937 123.676 122.820 -0.135 0.000 1.940 403 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 403 A C 2.585 180.136 177.584 -0.054 0.000 1.176 403 A CA 1.379 53.346 52.037 -0.115 0.000 0.631 403 A CB -1.019 17.867 19.000 -0.190 0.000 0.814 403 A HN 0.353 nan 8.150 nan 0.000 0.446 404 V N -0.008 119.873 119.914 -0.054 0.000 2.244 404 V HA -0.253 3.867 4.120 -0.000 0.000 0.244 404 V C 2.471 178.566 176.094 0.002 0.000 1.042 404 V CA 2.289 64.586 62.300 -0.006 0.000 1.006 404 V CB -0.828 30.989 31.823 -0.009 0.000 0.641 404 V HN 0.636 nan 8.190 nan 0.000 0.446 405 E N -0.164 120.030 120.200 -0.010 0.000 2.051 405 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 405 E C 2.182 178.783 176.600 0.002 0.000 0.991 405 E CA 1.397 57.798 56.400 0.003 0.000 0.799 405 E CB -0.112 29.603 29.700 0.024 0.000 0.748 405 E HN 0.491 nan 8.360 nan 0.000 0.449 406 L N 0.521 121.743 121.223 -0.002 0.000 2.200 406 L HA -0.025 4.315 4.340 -0.000 0.000 0.200 406 L C 1.678 178.552 176.870 0.007 0.000 1.072 406 L CA 0.630 55.469 54.840 -0.001 0.000 0.787 406 L CB -0.066 41.989 42.059 -0.006 0.000 0.957 406 L HN -0.003 nan 8.230 nan 0.000 0.459 407 D N 0.219 120.626 120.400 0.012 0.000 2.340 407 D HA 0.042 4.682 4.640 -0.000 0.000 0.220 407 D C 1.276 177.639 176.300 0.105 0.000 1.039 407 D CA 0.947 54.975 54.000 0.046 0.000 0.866 407 D CB 0.510 41.326 40.800 0.027 0.000 0.913 407 D HN 0.412 nan 8.370 nan 0.000 0.523 408 G N 1.536 110.377 108.800 0.069 0.000 2.198 408 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 408 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 408 G C 0.443 175.458 174.900 0.191 0.000 1.025 408 G CA 0.082 45.229 45.100 0.078 0.000 0.769 408 G HN 0.271 nan 8.290 nan 0.000 0.507 409 V N 0.501 120.511 119.914 0.160 0.000 2.572 409 V HA 0.206 4.326 4.120 -0.000 0.000 0.291 409 V C 0.987 177.162 176.094 0.134 0.000 1.039 409 V CA 0.002 62.391 62.300 0.149 0.000 1.055 409 V CB 1.483 33.321 31.823 0.025 0.000 0.969 409 V HN 0.434 nan 8.190 nan 0.000 0.482 410 N N 4.808 123.602 118.700 0.156 0.000 3.034 410 N HA 0.138 4.878 4.740 -0.000 0.000 0.265 410 N C -0.649 174.923 175.510 0.104 0.000 1.166 410 N CA -0.117 53.012 53.050 0.132 0.000 1.081 410 N CB 0.231 38.806 38.487 0.146 0.000 1.378 410 N HN 0.432 nan 8.380 nan 0.000 0.520 411 V N 3.766 123.760 119.914 0.134 0.000 2.488 411 V HA 0.176 4.296 4.120 -0.000 0.000 0.277 411 V C 1.318 177.480 176.094 0.113 0.000 1.046 411 V CA -0.266 62.125 62.300 0.153 0.000 0.986 411 V CB 1.343 33.346 31.823 0.300 0.000 0.989 411 V HN 0.412 nan 8.190 nan 0.000 0.475 412 K N 2.972 123.206 120.400 -0.277 0.000 2.334 412 K HA 0.331 4.651 4.320 -0.000 0.000 0.195 412 K C 0.687 176.729 176.600 -0.930 0.000 1.045 412 K CA 0.638 56.592 56.287 -0.554 0.000 1.004 412 K CB 1.181 33.120 32.500 -0.935 0.000 0.837 412 K HN 0.838 nan 8.250 nan 0.000 0.510 413 G N 0.072 108.334 108.800 -0.898 0.000 2.601 413 G HA2 0.428 4.388 3.960 -0.000 0.000 0.291 413 G HA3 0.428 4.388 3.960 -0.000 0.000 0.291 413 G C -2.286 172.490 174.900 -0.207 0.000 1.456 413 G CA -0.575 44.056 45.100 -0.781 0.000 0.804 413 G HN 0.021 nan 8.290 nan 0.000 0.499 414 Y N 0.248 120.330 120.300 -0.364 0.000 2.401 414 Y HA 0.705 5.255 4.550 -0.000 0.000 0.330 414 Y C -1.888 173.871 175.900 -0.236 0.000 1.071 414 Y CA -1.341 56.796 58.100 0.061 0.000 1.049 414 Y CB 1.623 40.350 38.460 0.444 0.000 1.239 414 Y HN 0.451 nan 8.280 nan 0.000 0.437 415 F N 5.135 124.866 119.950 -0.365 0.000 2.460 415 F HA 0.715 5.242 4.527 0.000 0.000 0.341 415 F C 0.263 175.908 175.800 -0.259 0.000 1.130 415 F CA -0.939 56.920 58.000 -0.235 0.000 0.962 415 F CB 1.767 40.699 39.000 -0.115 0.000 1.171 415 F HN 0.692 nan 8.300 nan 0.000 0.436 416 A N 4.530 127.370 122.820 0.033 0.000 2.454 416 A HA 0.111 4.431 4.320 -0.000 0.000 0.260 416 A C -0.825 177.045 177.584 0.476 0.000 1.106 416 A CA -0.373 51.826 52.037 0.269 0.000 0.780 416 A CB 0.224 19.306 19.000 0.136 0.000 1.044 416 A HN 0.887 nan 8.150 nan 0.000 0.498 417 W N 4.023 125.544 121.300 0.368 0.000 2.316 417 W HA 0.507 5.167 4.660 0.000 0.000 0.308 417 W C -0.428 176.385 176.519 0.490 0.000 1.106 417 W CA -0.144 57.420 57.345 0.364 0.000 1.262 417 W CB 1.442 31.078 29.460 0.293 0.000 1.233 417 W HN 0.683 nan 8.180 nan 0.000 0.447 418 S N 4.235 119.909 115.700 -0.043 0.000 2.671 418 S HA 0.283 4.753 4.470 -0.000 0.000 0.299 418 S C 0.481 175.061 174.600 -0.035 0.000 1.116 418 S CA -0.725 57.201 58.200 -0.457 0.000 0.912 418 S CB 1.527 63.984 63.200 -1.238 0.000 1.130 418 S HN 0.542 nan 8.310 nan 0.000 0.501 419 L N 2.447 123.659 121.223 -0.019 0.000 2.081 419 L HA 0.166 4.506 4.340 -0.000 0.000 0.212 419 L C 0.586 177.347 176.870 -0.182 0.000 1.080 419 L CA 2.067 56.824 54.840 -0.138 0.000 0.754 419 L CB -0.620 41.395 42.059 -0.073 0.000 0.893 419 L HN 0.811 nan 8.230 nan 0.000 0.433 420 M N -3.155 116.356 119.600 -0.148 0.000 2.569 420 M HA 0.425 4.905 4.480 -0.000 0.000 0.279 420 M C -1.174 175.090 176.300 -0.060 0.000 1.253 420 M CA -0.996 54.242 55.300 -0.104 0.000 0.867 420 M CB 1.217 33.743 32.600 -0.123 0.000 1.727 420 M HN -0.326 nan 8.290 nan 0.000 0.467 421 D N 2.891 123.296 120.400 0.008 0.000 2.478 421 D HA 0.294 4.934 4.640 -0.000 0.000 0.234 421 D C -0.616 175.795 176.300 0.185 0.000 1.154 421 D CA 1.009 55.078 54.000 0.115 0.000 0.874 421 D CB 0.355 41.225 40.800 0.117 0.000 1.198 421 D HN 0.837 nan 8.370 nan 0.000 0.455 422 N N -0.759 118.093 118.700 0.254 0.000 3.364 422 N HA 0.219 4.959 4.740 -0.000 0.000 0.294 422 N C -1.478 174.079 175.510 0.077 0.000 1.562 422 N CA -0.899 52.289 53.050 0.230 0.000 0.862 422 N CB 0.139 38.636 38.487 0.016 0.000 1.691 422 N HN 0.205 nan 8.380 nan 0.000 0.572 423 F N 0.952 120.691 119.950 -0.352 0.000 2.490 423 F HA 0.291 4.818 4.527 -0.000 0.000 0.357 423 F C 0.718 176.091 175.800 -0.712 0.000 1.166 423 F CA -0.319 57.146 58.000 -0.891 0.000 1.116 423 F CB 0.438 38.874 39.000 -0.941 0.000 1.171 423 F HN 0.633 nan 8.300 nan 0.000 0.576 424 E N 7.184 126.867 120.200 -0.861 0.000 2.392 424 E HA 0.153 4.503 4.350 -0.000 0.000 0.307 424 E C -0.198 176.045 176.600 -0.595 0.000 1.505 424 E CA 0.016 56.083 56.400 -0.555 0.000 1.716 424 E CB -0.583 29.110 29.700 -0.012 0.000 1.450 424 E HN 0.723 nan 8.360 nan 0.000 0.484 425 W N 0.403 121.135 121.300 -0.947 0.000 2.338 425 W HA -0.473 4.187 4.660 0.000 0.000 0.294 425 W C 1.823 178.202 176.519 -0.235 0.000 1.426 425 W CA 0.886 57.844 57.345 -0.645 0.000 1.387 425 W CB -1.726 27.433 29.460 -0.500 0.000 0.897 425 W HN 0.280 nan 8.180 nan 0.000 0.509 426 A N -0.104 123.061 122.820 0.575 0.000 2.125 426 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 426 A C 1.329 179.069 177.584 0.260 0.000 1.156 426 A CA 2.325 54.685 52.037 0.539 0.000 0.671 426 A CB -0.703 18.713 19.000 0.693 0.000 0.794 426 A HN 0.517 nan 8.150 nan 0.000 0.459 427 D N -1.051 119.439 120.400 0.151 0.000 2.347 427 D HA 0.318 4.958 4.640 -0.000 0.000 0.213 427 D C 1.536 177.790 176.300 -0.078 0.000 0.985 427 D CA 1.173 55.218 54.000 0.076 0.000 0.879 427 D CB 0.008 40.883 40.800 0.126 0.000 0.919 427 D HN 0.562 nan 8.370 nan 0.000 0.526 428 G N 0.592 109.180 108.800 -0.354 0.000 2.547 428 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.271 428 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.271 428 G C 0.488 175.051 174.900 -0.562 0.000 1.209 428 G CA 0.271 45.063 45.100 -0.513 0.000 0.959 428 G HN 0.295 nan 8.290 nan 0.000 0.563 429 Y N 0.103 120.354 120.300 -0.083 0.000 2.500 429 Y HA 0.269 4.819 4.550 -0.000 0.000 0.270 429 Y C 2.865 178.783 175.900 0.031 0.000 1.134 429 Y CA 0.866 58.917 58.100 -0.081 0.000 1.293 429 Y CB 0.033 38.322 38.460 -0.285 0.000 1.063 429 Y HN 0.288 nan 8.280 nan 0.000 0.534 430 V N -0.790 119.204 119.914 0.133 0.000 2.407 430 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 430 V C 0.883 177.034 176.094 0.095 0.000 1.055 430 V CA 1.571 63.942 62.300 0.118 0.000 1.049 430 V CB -0.758 31.115 31.823 0.083 0.000 0.662 430 V HN 0.223 nan 8.190 nan 0.000 0.455 431 T N 2.533 117.138 114.554 0.084 0.000 2.729 431 T HA 0.368 4.718 4.350 -0.000 0.000 0.296 431 T C 0.096 174.881 174.700 0.141 0.000 0.928 431 T CA -0.157 61.991 62.100 0.081 0.000 1.045 431 T CB 0.303 69.261 68.868 0.151 0.000 0.902 431 T HN 0.319 nan 8.240 nan 0.000 0.500 432 R N 2.580 123.112 120.500 0.052 0.000 2.265 432 R HA 0.358 4.698 4.340 -0.000 0.000 0.328 432 R C -0.299 176.000 176.300 -0.003 0.000 0.969 432 R CA -0.428 55.739 56.100 0.112 0.000 0.832 432 R CB 0.798 31.169 30.300 0.120 0.000 1.139 432 R HN 0.609 nan 8.270 nan 0.000 0.457 433 F N 0.312 120.340 119.950 0.131 0.000 2.678 433 F HA 0.229 4.756 4.527 -0.000 0.000 0.305 433 F C 1.622 177.488 175.800 0.110 0.000 1.090 433 F CA -0.326 57.774 58.000 0.165 0.000 1.272 433 F CB 0.883 40.095 39.000 0.353 0.000 1.060 433 F HN 0.609 nan 8.300 nan 0.000 0.576 434 G N 0.361 109.282 108.800 0.202 0.000 2.527 434 G HA2 0.305 4.265 3.960 -0.000 0.000 0.248 434 G HA3 0.305 4.265 3.960 -0.000 0.000 0.248 434 G C 1.030 176.033 174.900 0.171 0.000 1.231 434 G CA 0.035 45.211 45.100 0.126 0.000 0.838 434 G HN 0.145 nan 8.290 nan 0.000 0.570 435 V N -0.871 119.137 119.914 0.156 0.000 3.406 435 V HA 0.225 4.345 4.120 -0.000 0.000 0.263 435 V C 0.822 176.965 176.094 0.082 0.000 1.172 435 V CA 0.869 63.270 62.300 0.169 0.000 1.140 435 V CB -0.739 31.213 31.823 0.215 0.000 0.784 435 V HN 0.445 nan 8.190 nan 0.000 0.467 436 T N 0.979 115.552 114.554 0.030 0.000 2.824 436 T HA 0.464 4.814 4.350 -0.000 0.000 0.282 436 T C -1.022 173.727 174.700 0.083 0.000 0.993 436 T CA -0.243 61.874 62.100 0.028 0.000 0.967 436 T CB 1.585 70.404 68.868 -0.082 0.000 0.960 436 T HN 0.397 nan 8.240 nan 0.000 0.441 437 Y N 3.385 123.702 120.300 0.028 0.000 2.359 437 Y HA 0.495 5.045 4.550 -0.000 0.000 0.330 437 Y C -0.698 175.193 175.900 -0.014 0.000 1.143 437 Y CA -0.378 57.736 58.100 0.022 0.000 1.318 437 Y CB 0.577 39.071 38.460 0.056 0.000 1.234 437 Y HN 0.360 nan 8.280 nan 0.000 0.522 438 V N 6.466 125.894 119.914 -0.808 0.000 2.409 438 V HA 0.130 4.250 4.120 -0.000 0.000 0.291 438 V C -0.709 174.555 176.094 -1.383 0.000 1.020 438 V CA -0.942 60.809 62.300 -0.914 0.000 0.848 438 V CB 1.460 32.818 31.823 -0.774 0.000 0.990 438 V HN 0.736 nan 8.190 nan 0.000 0.430 439 D N 3.656 123.486 120.400 -0.950 0.000 2.468 439 D HA 0.188 4.828 4.640 -0.000 0.000 0.218 439 D C 0.560 176.638 176.300 -0.370 0.000 1.155 439 D CA -0.191 53.458 54.000 -0.585 0.000 0.924 439 D CB 0.621 41.366 40.800 -0.091 0.000 1.029 439 D HN 0.502 nan 8.370 nan 0.000 0.515 440 Y N 1.299 121.488 120.300 -0.184 0.000 2.403 440 Y HA -0.077 4.473 4.550 0.000 0.000 0.291 440 Y C 1.990 177.814 175.900 -0.126 0.000 1.143 440 Y CA 0.613 58.603 58.100 -0.184 0.000 1.257 440 Y CB 0.146 38.451 38.460 -0.258 0.000 0.984 440 Y HN 0.365 nan 8.280 nan 0.000 0.550 441 E N -0.632 119.596 120.200 0.048 0.000 2.442 441 E HA 0.020 4.370 4.350 -0.000 0.000 0.195 441 E C 0.014 176.622 176.600 0.015 0.000 1.030 441 E CA 0.346 56.766 56.400 0.032 0.000 0.869 441 E CB -0.059 29.668 29.700 0.045 0.000 0.857 441 E HN 0.416 nan 8.360 nan 0.000 0.505 442 N N 0.394 119.097 118.700 0.005 0.000 2.818 442 N HA 0.169 4.909 4.740 -0.000 0.000 0.301 442 N C 0.186 175.685 175.510 -0.019 0.000 1.821 442 N CA 0.269 53.325 53.050 0.010 0.000 0.930 442 N CB 1.208 39.726 38.487 0.052 0.000 1.263 442 N HN 0.102 nan 8.380 nan 0.000 0.487 443 G N 1.604 110.384 108.800 -0.033 0.000 2.198 443 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.260 443 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.260 443 G C 0.247 175.097 174.900 -0.084 0.000 1.025 443 G CA 0.365 45.435 45.100 -0.051 0.000 0.769 443 G HN 0.480 nan 8.290 nan 0.000 0.507 444 Q N -2.034 117.703 119.800 -0.106 0.000 2.453 444 Q HA -0.212 4.128 4.340 -0.000 0.000 0.294 444 Q C 0.719 176.584 176.000 -0.226 0.000 1.295 444 Q CA 1.829 57.524 55.803 -0.180 0.000 0.853 444 Q CB -1.227 27.450 28.738 -0.101 0.000 1.193 444 Q HN 0.942 nan 8.270 nan 0.000 0.461 445 K N 0.796 121.070 120.400 -0.210 0.000 2.401 445 K HA 0.255 4.575 4.320 -0.000 0.000 0.278 445 K C -0.348 176.003 176.600 -0.414 0.000 1.018 445 K CA -0.174 55.940 56.287 -0.288 0.000 0.981 445 K CB 0.563 32.937 32.500 -0.210 0.000 0.933 445 K HN 0.051 nan 8.250 nan 0.000 0.477 446 R N 2.732 122.929 120.500 -0.506 0.000 2.428 446 R HA 0.379 4.719 4.340 -0.000 0.000 0.294 446 R C -1.124 174.798 176.300 -0.631 0.000 1.000 446 R CA -0.114 55.729 56.100 -0.427 0.000 0.960 446 R CB 0.657 30.781 30.300 -0.295 0.000 1.076 446 R HN 0.406 nan 8.270 nan 0.000 0.475 447 F N 3.063 122.996 119.950 -0.028 0.000 2.671 447 F HA 0.358 4.885 4.527 -0.000 0.000 0.332 447 F C -2.123 173.705 175.800 0.047 0.000 1.189 447 F CA -2.493 55.535 58.000 0.047 0.000 0.988 447 F CB 1.979 41.076 39.000 0.162 0.000 1.258 447 F HN 0.334 nan 8.300 nan 0.000 0.471 448 P HA 0.099 nan 4.420 nan 0.000 0.268 448 P C -0.536 176.839 177.300 0.125 0.000 1.204 448 P CA -0.078 63.077 63.100 0.092 0.000 0.768 448 P CB 0.736 32.463 31.700 0.046 0.000 0.842 449 K N 1.992 122.460 120.400 0.113 0.000 2.109 449 K HA 0.226 4.546 4.320 -0.000 0.000 0.243 449 K C 1.397 178.057 176.600 0.100 0.000 1.006 449 K CA -0.748 55.602 56.287 0.105 0.000 0.917 449 K CB 0.764 33.334 32.500 0.117 0.000 1.081 449 K HN 0.252 nan 8.250 nan 0.000 0.468 450 K N 0.914 121.368 120.400 0.091 0.000 2.074 450 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 450 K C 1.963 178.635 176.600 0.120 0.000 1.048 450 K CA 2.250 58.592 56.287 0.091 0.000 0.926 450 K CB -0.134 32.413 32.500 0.078 0.000 0.713 450 K HN 0.672 nan 8.250 nan 0.000 0.444 451 S N 0.358 116.154 115.700 0.160 0.000 2.370 451 S HA -0.182 4.288 4.470 -0.000 0.000 0.226 451 S C 2.189 176.903 174.600 0.190 0.000 1.033 451 S CA 1.129 59.458 58.200 0.215 0.000 1.011 451 S CB -0.531 62.868 63.200 0.331 0.000 0.852 451 S HN 0.404 nan 8.310 nan 0.000 0.457 452 A N 2.430 125.359 122.820 0.181 0.000 1.908 452 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 452 A C 2.241 179.955 177.584 0.217 0.000 1.181 452 A CA 1.669 53.825 52.037 0.198 0.000 0.627 452 A CB -0.556 18.487 19.000 0.072 0.000 0.818 452 A HN 0.655 nan 8.150 nan 0.000 0.445 453 K N 0.270 120.759 120.400 0.147 0.000 2.365 453 K HA -0.025 4.295 4.320 -0.000 0.000 0.197 453 K C 2.046 178.707 176.600 0.103 0.000 1.042 453 K CA 1.054 57.418 56.287 0.128 0.000 0.987 453 K CB -0.032 32.524 32.500 0.093 0.000 0.779 453 K HN 0.628 nan 8.250 nan 0.000 0.484 454 S N 0.740 116.493 115.700 0.087 0.000 2.489 454 S HA 0.021 4.491 4.470 -0.000 0.000 0.228 454 S C 1.889 176.463 174.600 -0.042 0.000 0.995 454 S CA 0.335 58.554 58.200 0.033 0.000 0.934 454 S CB -0.254 62.978 63.200 0.052 0.000 0.771 454 S HN 0.159 nan 8.310 nan 0.000 0.522 455 L N 0.931 122.129 121.223 -0.041 0.000 2.068 455 L HA 0.060 4.400 4.340 -0.000 0.000 0.204 455 L C 2.872 179.492 176.870 -0.417 0.000 1.076 455 L CA 1.388 56.072 54.840 -0.260 0.000 0.753 455 L CB -0.511 41.393 42.059 -0.258 0.000 0.910 455 L HN 0.314 nan 8.230 nan 0.000 0.439 456 K N 0.431 120.744 120.400 -0.145 0.000 2.020 456 K HA -0.196 4.124 4.320 -0.000 0.000 0.212 456 K C -0.456 176.143 176.600 -0.003 0.000 1.050 456 K CA 1.828 58.148 56.287 0.055 0.000 0.929 456 K CB -0.801 31.905 32.500 0.344 0.000 0.714 456 K HN 0.156 nan 8.250 nan 0.000 0.443 457 P HA -0.153 nan 4.420 nan 0.000 0.217 457 P C 1.269 178.502 177.300 -0.111 0.000 1.150 457 P CA 0.814 63.894 63.100 -0.034 0.000 0.832 457 P CB 0.033 31.718 31.700 -0.026 0.000 0.787 458 L N -1.477 119.614 121.223 -0.220 0.000 1.994 458 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 458 L C 2.161 178.765 176.870 -0.443 0.000 1.071 458 L CA 1.964 56.584 54.840 -0.367 0.000 0.745 458 L CB -1.437 40.311 42.059 -0.519 0.000 0.892 458 L HN -0.152 nan 8.230 nan 0.000 0.431 459 F N -0.076 119.630 119.950 -0.406 0.000 2.234 459 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 459 F C 2.275 177.985 175.800 -0.150 0.000 1.087 459 F CA 1.263 59.036 58.000 -0.379 0.000 1.340 459 F CB -0.725 37.833 39.000 -0.737 0.000 1.031 459 F HN 0.169 nan 8.300 nan 0.000 0.500 460 D N 0.037 120.484 120.400 0.078 0.000 2.182 460 D HA -0.205 4.435 4.640 -0.000 0.000 0.201 460 D C 2.119 178.438 176.300 0.033 0.000 0.986 460 D CA 1.163 55.217 54.000 0.088 0.000 0.847 460 D CB -0.325 40.525 40.800 0.083 0.000 0.942 460 D HN 0.429 nan 8.370 nan 0.000 0.467 461 E N -0.111 120.074 120.200 -0.025 0.000 2.107 461 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 461 E C 2.086 178.662 176.600 -0.040 0.000 0.982 461 E CA 0.353 56.730 56.400 -0.039 0.000 0.809 461 E CB 0.092 29.748 29.700 -0.072 0.000 0.756 461 E HN 0.217 nan 8.360 nan 0.000 0.459 462 L N 0.617 121.797 121.223 -0.073 0.000 2.127 462 L HA 0.115 4.455 4.340 -0.000 0.000 0.203 462 L C 1.027 177.877 176.870 -0.032 0.000 1.080 462 L CA 0.179 54.968 54.840 -0.085 0.000 0.768 462 L CB 0.103 42.042 42.059 -0.200 0.000 0.924 462 L HN 0.086 nan 8.230 nan 0.000 0.444 463 I N 0.986 121.573 120.570 0.029 0.000 2.452 463 I HA 0.114 4.284 4.170 -0.000 0.000 0.287 463 I C 0.734 176.890 176.117 0.065 0.000 1.079 463 I CA -0.486 60.857 61.300 0.071 0.000 1.387 463 I CB 0.961 39.064 38.000 0.172 0.000 1.404 463 I HN 0.021 nan 8.210 nan 0.000 0.522 464 A N 5.638 128.491 122.820 0.056 0.000 2.498 464 A HA 0.502 4.822 4.320 -0.000 0.000 0.239 464 A C 0.619 178.239 177.584 0.059 0.000 1.068 464 A CA -0.072 51.993 52.037 0.048 0.000 0.766 464 A CB 0.210 19.235 19.000 0.043 0.000 1.003 464 A HN 0.864 nan 8.150 nan 0.000 0.497 465 A N 0.000 122.848 122.820 0.046 0.000 2.254 465 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 465 A CA 0.000 52.065 52.037 0.046 0.000 0.836 465 A CB 0.000 19.022 19.000 0.036 0.000 0.831 465 A HN 0.000 nan 8.150 nan 0.000 0.486