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 1uz5_1_A DATA FIRST_RESID 5 DATA SEQUENCE KVVPLEKALE VVQSFKISPG IEEVPIEKGL GRIAAEDIYS PIDVPPFDRA DATA SEQUENCE TVDGYAVRAE DTFMASEASP VRLKVIGSVH AGEEPKFKLG KGEAAYISTG DATA SEQUENCE AMLPGNADAV IQFEDVERVN GEILIYKPAY PGLGVMKKGI DIEKGRLLVK DATA SEQUENCE KGERLGFKQT ALLSAVGINK VKVFRKPKVA VISTGNEIVP PGNELKPGQI DATA SEQUENCE YDINGRALCD AINELGGEGI FMGVARDDKE SLKALIEKAV NVGDVVVISG DATA SEQUENCE GAXXXXXDLT ASVIEELGEV KVHGIAIQPG KPTIIGVIKG KPVFGLPGYP DATA SEQUENCE TSCLTNFTLL VVPLLLRALG REGKIGKKVA RLKHKVFSVX XRRQFLPVKL DATA SEQUENCE EGDLAVPILK GSGAVTSFID ADGFVEIPET VESLDEGEEV EVTLFKGW 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.577 176.600 -0.038 0.000 0.988 5 K CA 0.000 56.256 56.287 -0.052 0.000 0.838 5 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 6 V N 2.433 122.326 119.914 -0.035 0.000 2.637 6 V HA 0.323 4.443 4.120 -0.000 0.000 0.296 6 V C 0.462 176.559 176.094 0.005 0.000 1.046 6 V CA -0.447 61.846 62.300 -0.012 0.000 1.066 6 V CB 1.497 33.314 31.823 -0.010 0.000 0.968 6 V HN 0.344 nan 8.190 nan 0.000 0.483 7 V N 6.843 126.768 119.914 0.019 0.000 2.914 7 V HA 0.601 4.721 4.120 -0.000 0.000 0.314 7 V C -2.380 173.732 176.094 0.029 0.000 1.084 7 V CA -2.371 59.941 62.300 0.021 0.000 0.963 7 V CB 2.843 34.679 31.823 0.022 0.000 1.025 7 V HN 0.769 nan 8.190 nan 0.000 0.432 8 P HA 0.093 nan 4.420 nan 0.000 0.270 8 P C 0.480 177.807 177.300 0.045 0.000 1.223 8 P CA -0.075 63.047 63.100 0.037 0.000 0.785 8 P CB 0.549 32.266 31.700 0.029 0.000 0.923 9 L N 2.686 123.949 121.223 0.067 0.000 2.012 9 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 9 L C 2.083 178.984 176.870 0.051 0.000 1.073 9 L CA 2.101 56.985 54.840 0.073 0.000 0.748 9 L CB -1.393 40.743 42.059 0.129 0.000 0.891 9 L HN 0.338 nan 8.230 nan 0.000 0.431 10 E N 0.056 120.285 120.200 0.049 0.000 2.147 10 E HA -0.313 4.037 4.350 -0.000 0.000 0.199 10 E C 2.181 178.788 176.600 0.012 0.000 1.005 10 E CA 1.847 58.266 56.400 0.032 0.000 0.810 10 E CB -0.264 29.453 29.700 0.028 0.000 0.736 10 E HN 0.442 nan 8.360 nan 0.000 0.460 11 K N 0.123 120.530 120.400 0.010 0.000 2.025 11 K HA 0.053 4.373 4.320 -0.000 0.000 0.207 11 K C 1.940 178.530 176.600 -0.017 0.000 1.049 11 K CA 1.661 57.945 56.287 -0.006 0.000 0.933 11 K CB -0.841 31.660 32.500 0.000 0.000 0.714 11 K HN 0.146 nan 8.250 nan 0.000 0.438 12 A N 0.745 123.566 122.820 0.003 0.000 1.940 12 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 12 A C 2.232 179.811 177.584 -0.009 0.000 1.176 12 A CA 1.612 53.652 52.037 0.006 0.000 0.631 12 A CB -0.676 18.349 19.000 0.041 0.000 0.814 12 A HN 0.335 nan 8.150 nan 0.000 0.446 13 L N -0.972 120.250 121.223 -0.002 0.000 2.056 13 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 13 L C 2.573 179.413 176.870 -0.049 0.000 1.078 13 L CA 1.548 56.383 54.840 -0.008 0.000 0.749 13 L CB -0.604 41.460 42.059 0.010 0.000 0.901 13 L HN 0.461 nan 8.230 nan 0.000 0.433 14 E N -0.326 119.841 120.200 -0.056 0.000 2.110 14 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 14 E C 2.258 178.762 176.600 -0.161 0.000 0.988 14 E CA 1.216 57.568 56.400 -0.081 0.000 0.804 14 E CB -0.051 29.614 29.700 -0.058 0.000 0.745 14 E HN 0.264 nan 8.360 nan 0.000 0.458 15 V N 0.817 120.610 119.914 -0.201 0.000 2.295 15 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 15 V C 2.321 177.958 176.094 -0.761 0.000 1.049 15 V CA 1.370 63.438 62.300 -0.388 0.000 1.024 15 V CB -0.369 31.279 31.823 -0.290 0.000 0.648 15 V HN 0.141 nan 8.190 nan 0.000 0.447 16 V N -0.317 119.311 119.914 -0.477 0.000 2.343 16 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 16 V C 2.461 178.410 176.094 -0.243 0.000 1.051 16 V CA 1.975 64.060 62.300 -0.359 0.000 1.036 16 V CB -0.816 31.068 31.823 0.102 0.000 0.654 16 V HN 0.597 nan 8.190 nan 0.000 0.451 17 Q N 0.491 120.192 119.800 -0.166 0.000 2.181 17 Q HA -0.197 4.143 4.340 -0.000 0.000 0.205 17 Q C 2.416 178.356 176.000 -0.100 0.000 0.980 17 Q CA 1.871 57.624 55.803 -0.083 0.000 0.862 17 Q CB -0.356 28.344 28.738 -0.063 0.000 0.905 17 Q HN 0.798 nan 8.270 nan 0.000 0.429 18 S N -0.227 115.337 115.700 -0.226 0.000 2.474 18 S HA -0.057 4.413 4.470 -0.000 0.000 0.235 18 S C 0.451 175.038 174.600 -0.022 0.000 0.997 18 S CA 0.010 58.115 58.200 -0.159 0.000 0.949 18 S CB -0.130 62.935 63.200 -0.225 0.000 0.766 18 S HN 0.068 nan 8.310 nan 0.000 0.517 19 F N 2.157 122.115 119.950 0.013 0.000 2.410 19 F HA 0.648 5.175 4.527 -0.000 0.000 0.334 19 F C 0.587 176.397 175.800 0.016 0.000 1.134 19 F CA -1.422 56.587 58.000 0.013 0.000 1.227 19 F CB 0.630 39.646 39.000 0.027 0.000 1.194 19 F HN 0.064 nan 8.300 nan 0.000 0.571 20 K N 2.728 123.262 120.400 0.224 0.000 2.615 20 K HA 0.445 4.765 4.320 -0.000 0.000 0.249 20 K C -1.853 174.791 176.600 0.073 0.000 0.977 20 K CA -0.460 55.897 56.287 0.116 0.000 0.833 20 K CB 1.120 33.670 32.500 0.083 0.000 1.208 20 K HN 0.374 nan 8.250 nan 0.000 0.443 21 I N 2.579 123.178 120.570 0.048 0.000 2.359 21 I HA 0.275 4.445 4.170 -0.000 0.000 0.294 21 I C -0.262 175.856 176.117 0.001 0.000 0.987 21 I CA -0.586 60.726 61.300 0.019 0.000 1.225 21 I CB 1.673 39.679 38.000 0.011 0.000 1.366 21 I HN 0.528 nan 8.210 nan 0.000 0.466 22 S N 7.691 123.399 115.700 0.014 0.000 2.542 22 S HA 0.306 4.776 4.470 -0.000 0.000 0.245 22 S C -1.113 173.512 174.600 0.042 0.000 1.325 22 S CA -0.704 57.513 58.200 0.029 0.000 1.176 22 S CB 1.104 64.332 63.200 0.048 0.000 1.045 22 S HN 0.543 nan 8.310 nan 0.000 0.481 23 P HA 0.111 nan 4.420 nan 0.000 0.226 23 P C 0.762 178.123 177.300 0.102 0.000 1.153 23 P CA 0.684 63.821 63.100 0.061 0.000 0.777 23 P CB -0.113 31.616 31.700 0.047 0.000 0.794 24 G N 0.178 109.064 108.800 0.145 0.000 2.712 24 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.683 24 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.683 24 G C -0.971 174.036 174.900 0.179 0.000 1.320 24 G CA -0.596 44.587 45.100 0.139 0.000 0.847 24 G HN 0.216 nan 8.290 nan 0.000 0.553 25 I N 0.835 121.465 120.570 0.101 0.000 2.603 25 I HA 0.683 4.853 4.170 -0.000 0.000 0.300 25 I C 0.239 176.368 176.117 0.020 0.000 1.017 25 I CA -0.744 60.578 61.300 0.037 0.000 1.098 25 I CB 2.131 40.108 38.000 -0.038 0.000 1.279 25 I HN 0.944 nan 8.210 nan 0.000 0.437 26 E N 3.791 123.993 120.200 0.003 0.000 2.408 26 E HA 0.514 4.864 4.350 -0.000 0.000 0.275 26 E C -1.643 174.950 176.600 -0.011 0.000 0.935 26 E CA -0.975 55.428 56.400 0.005 0.000 0.775 26 E CB 2.124 31.838 29.700 0.023 0.000 1.277 26 E HN 0.451 nan 8.360 nan 0.000 0.455 27 E N 1.095 121.291 120.200 -0.007 0.000 2.166 27 E HA 0.427 4.777 4.350 -0.000 0.000 0.275 27 E C -0.577 176.021 176.600 -0.002 0.000 0.941 27 E CA -1.006 55.387 56.400 -0.011 0.000 0.784 27 E CB 2.296 31.989 29.700 -0.011 0.000 1.115 27 E HN 0.452 nan 8.360 nan 0.000 0.399 28 V N 0.289 120.201 119.914 -0.003 0.000 2.914 28 V HA 0.593 4.713 4.120 -0.000 0.000 0.314 28 V C -2.739 173.356 176.094 0.002 0.000 1.084 28 V CA -3.000 59.302 62.300 0.004 0.000 0.963 28 V CB 1.529 33.357 31.823 0.009 0.000 1.025 28 V HN 0.443 nan 8.190 nan 0.000 0.432 29 P HA 0.218 nan 4.420 nan 0.000 0.270 29 P C 0.757 178.060 177.300 0.005 0.000 1.223 29 P CA -0.142 62.961 63.100 0.005 0.000 0.785 29 P CB 0.556 32.261 31.700 0.007 0.000 0.923 30 I N 2.239 122.811 120.570 0.004 0.000 2.361 30 I HA -0.213 3.957 4.170 -0.000 0.000 0.251 30 I C 1.679 177.802 176.117 0.010 0.000 1.133 30 I CA 1.556 62.858 61.300 0.004 0.000 1.413 30 I CB -0.754 37.248 38.000 0.003 0.000 1.073 30 I HN 0.386 nan 8.210 nan 0.000 0.424 31 E N -0.058 120.148 120.200 0.011 0.000 2.516 31 E HA -0.151 4.199 4.350 -0.000 0.000 0.199 31 E C 0.813 177.423 176.600 0.015 0.000 1.069 31 E CA 0.562 56.971 56.400 0.014 0.000 0.876 31 E CB -0.247 29.460 29.700 0.012 0.000 0.843 31 E HN 0.395 nan 8.360 nan 0.000 0.530 32 K N 0.251 120.660 120.400 0.015 0.000 2.469 32 K HA 0.225 4.545 4.320 -0.000 0.000 0.204 32 K C 1.364 177.976 176.600 0.019 0.000 1.047 32 K CA 0.481 56.779 56.287 0.018 0.000 1.072 32 K CB 1.102 33.612 32.500 0.017 0.000 0.863 32 K HN 0.225 nan 8.250 nan 0.000 0.530 33 G N 0.818 109.627 108.800 0.016 0.000 2.551 33 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.216 33 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.216 33 G C 0.569 175.482 174.900 0.022 0.000 1.137 33 G CA -0.161 44.948 45.100 0.015 0.000 0.798 33 G HN 0.183 nan 8.290 nan 0.000 0.536 34 L N 1.451 122.690 121.223 0.026 0.000 2.601 34 L HA 0.400 4.740 4.340 -0.000 0.000 0.277 34 L C 1.480 178.371 176.870 0.035 0.000 1.219 34 L CA 1.524 56.384 54.840 0.033 0.000 0.915 34 L CB 0.265 42.346 42.059 0.037 0.000 1.160 34 L HN 0.465 nan 8.230 nan 0.000 0.494 35 G N 3.121 111.943 108.800 0.037 0.000 2.268 35 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.240 35 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.240 35 G C 0.652 175.589 174.900 0.060 0.000 1.010 35 G CA 0.142 45.271 45.100 0.048 0.000 0.618 35 G HN 0.655 nan 8.290 nan 0.000 0.516 36 R N 0.284 120.815 120.500 0.053 0.000 2.649 36 R HA 0.578 4.918 4.340 -0.000 0.000 0.270 36 R C 0.467 176.809 176.300 0.070 0.000 1.105 36 R CA -0.481 55.657 56.100 0.064 0.000 1.193 36 R CB 0.236 30.566 30.300 0.049 0.000 1.120 36 R HN 0.253 nan 8.270 nan 0.000 0.561 37 I N 1.238 121.872 120.570 0.107 0.000 2.339 37 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 37 I C 0.442 176.611 176.117 0.087 0.000 0.994 37 I CA -1.204 60.180 61.300 0.139 0.000 1.191 37 I CB 0.988 39.140 38.000 0.253 0.000 1.343 37 I HN 0.548 nan 8.210 nan 0.000 0.458 38 A N 4.787 127.616 122.820 0.015 0.000 2.548 38 A HA 0.374 4.694 4.320 -0.000 0.000 0.247 38 A C 1.214 178.640 177.584 -0.263 0.000 1.067 38 A CA 0.401 52.380 52.037 -0.097 0.000 0.757 38 A CB 0.249 19.202 19.000 -0.078 0.000 0.996 38 A HN 0.945 nan 8.150 nan 0.000 0.504 39 A N 2.404 124.903 122.820 -0.534 0.000 2.167 39 A HA 0.318 4.638 4.320 -0.000 0.000 0.214 39 A C 0.699 177.957 177.584 -0.544 0.000 1.151 39 A CA 1.171 52.530 52.037 -1.129 0.000 0.735 39 A CB -0.302 18.088 19.000 -1.016 0.000 0.802 39 A HN 0.995 nan 8.150 nan 0.000 0.467 40 E N -1.201 118.836 120.200 -0.271 0.000 2.416 40 E HA 0.281 4.631 4.350 -0.000 0.000 0.280 40 E C -2.004 174.526 176.600 -0.116 0.000 1.055 40 E CA -1.117 55.202 56.400 -0.134 0.000 0.825 40 E CB 0.212 29.855 29.700 -0.095 0.000 1.312 40 E HN -0.004 nan 8.360 nan 0.000 0.452 41 D N 0.923 121.263 120.400 -0.099 0.000 2.419 41 D HA 0.219 4.859 4.640 -0.000 0.000 0.236 41 D C -0.082 176.055 176.300 -0.273 0.000 1.165 41 D CA 0.625 54.489 54.000 -0.227 0.000 0.882 41 D CB 0.699 41.335 40.800 -0.273 0.000 1.201 41 D HN 0.307 nan 8.370 nan 0.000 0.443 42 I N 1.630 121.957 120.570 -0.405 0.000 2.466 42 I HA 0.204 4.374 4.170 -0.000 0.000 0.289 42 I C -0.894 174.981 176.117 -0.404 0.000 1.026 42 I CA -0.833 60.307 61.300 -0.266 0.000 1.078 42 I CB 1.134 39.045 38.000 -0.148 0.000 1.249 42 I HN 0.166 nan 8.210 nan 0.000 0.429 43 Y N 3.079 123.367 120.300 -0.021 0.000 2.446 43 Y HA 0.323 4.873 4.550 -0.000 0.000 0.338 43 Y C 0.849 176.738 175.900 -0.018 0.000 1.055 43 Y CA -0.640 57.449 58.100 -0.018 0.000 1.101 43 Y CB 1.880 40.331 38.460 -0.015 0.000 1.221 43 Y HN 0.462 nan 8.280 nan 0.000 0.460 44 S N 4.629 120.403 115.700 0.122 0.000 2.544 44 S HA 0.037 4.507 4.470 -0.000 0.000 0.290 44 S C -1.439 173.199 174.600 0.063 0.000 1.276 44 S CA -1.014 57.222 58.200 0.061 0.000 1.075 44 S CB 0.361 63.583 63.200 0.037 0.000 0.849 44 S HN 0.543 nan 8.310 nan 0.000 0.494 45 P HA 0.179 nan 4.420 nan 0.000 0.245 45 P C 0.134 177.447 177.300 0.022 0.000 1.206 45 P CA 0.314 63.434 63.100 0.033 0.000 0.781 45 P CB -0.322 31.394 31.700 0.027 0.000 0.994 46 I N -4.853 115.728 120.570 0.018 0.000 3.095 46 I HA 0.556 4.726 4.170 -0.000 0.000 0.310 46 I C -1.222 174.896 176.117 0.003 0.000 1.196 46 I CA -1.331 59.976 61.300 0.012 0.000 0.985 46 I CB 2.022 40.030 38.000 0.013 0.000 1.250 46 I HN -0.420 nan 8.210 nan 0.000 0.446 47 D N 2.371 122.768 120.400 -0.004 0.000 2.304 47 D HA 0.486 5.126 4.640 -0.000 0.000 0.247 47 D C -0.788 175.485 176.300 -0.044 0.000 1.089 47 D CA 0.040 54.028 54.000 -0.020 0.000 0.910 47 D CB 2.526 43.314 40.800 -0.020 0.000 1.199 47 D HN 0.323 nan 8.370 nan 0.000 0.426 48 V N 4.351 124.229 119.914 -0.060 0.000 2.443 48 V HA 0.270 4.390 4.120 -0.000 0.000 0.293 48 V C -2.164 173.861 176.094 -0.115 0.000 1.021 48 V CA -1.554 60.691 62.300 -0.092 0.000 0.848 48 V CB 2.064 33.848 31.823 -0.065 0.000 0.998 48 V HN 0.414 nan 8.190 nan 0.000 0.424 49 P HA 0.219 nan 4.420 nan 0.000 0.272 49 P C -2.311 174.814 177.300 -0.291 0.000 1.230 49 P CA -1.544 61.365 63.100 -0.319 0.000 0.788 49 P CB 0.739 32.137 31.700 -0.503 0.000 0.949 50 P HA 0.074 nan 4.420 nan 0.000 0.245 50 P C -0.359 176.981 177.300 0.068 0.000 1.212 50 P CA 0.628 63.694 63.100 -0.057 0.000 0.774 50 P CB -0.334 31.413 31.700 0.079 0.000 0.999 51 F N -3.228 116.710 119.950 -0.020 0.000 2.741 51 F HA 0.508 5.035 4.527 0.000 0.000 0.311 51 F C -1.156 174.626 175.800 -0.030 0.000 1.149 51 F CA -1.716 56.268 58.000 -0.027 0.000 0.930 51 F CB 0.047 39.027 39.000 -0.033 0.000 1.312 51 F HN -0.439 nan 8.300 nan 0.000 0.450 52 D N 2.344 122.847 120.400 0.172 0.000 2.401 52 D HA 0.247 4.887 4.640 -0.000 0.000 0.254 52 D C -0.176 176.227 176.300 0.172 0.000 1.192 52 D CA 0.096 54.140 54.000 0.073 0.000 0.885 52 D CB 0.813 41.649 40.800 0.058 0.000 1.147 52 D HN 0.737 nan 8.370 nan 0.000 0.478 53 R N 0.331 120.844 120.500 0.022 0.000 2.740 53 R HA 0.773 5.113 4.340 -0.000 0.000 0.282 53 R C -0.713 175.597 176.300 0.015 0.000 0.969 53 R CA -1.160 54.994 56.100 0.090 0.000 0.918 53 R CB 1.318 31.620 30.300 0.004 0.000 1.175 53 R HN 0.245 nan 8.270 nan 0.000 0.464 54 A N 1.133 123.959 122.820 0.010 0.000 2.462 54 A HA 0.209 4.529 4.320 -0.000 0.000 0.243 54 A C 0.977 178.540 177.584 -0.036 0.000 1.076 54 A CA 0.075 52.088 52.037 -0.040 0.000 0.773 54 A CB 0.360 19.306 19.000 -0.090 0.000 1.010 54 A HN 0.919 nan 8.150 nan 0.000 0.493 55 T N -1.359 113.172 114.554 -0.038 0.000 3.054 55 T HA 0.400 4.750 4.350 -0.000 0.000 0.255 55 T C 0.306 174.992 174.700 -0.025 0.000 1.035 55 T CA 0.560 62.644 62.100 -0.028 0.000 0.941 55 T CB -1.093 67.764 68.868 -0.019 0.000 1.026 55 T HN 1.708 nan 8.240 nan 0.000 0.533 56 V N -2.825 117.065 119.914 -0.038 0.000 3.216 56 V HA 0.624 4.744 4.120 -0.000 0.000 0.302 56 V C -1.952 174.098 176.094 -0.073 0.000 1.286 56 V CA -1.407 60.875 62.300 -0.029 0.000 1.048 56 V CB 1.914 33.737 31.823 0.002 0.000 1.081 56 V HN -0.032 nan 8.190 nan 0.000 0.442 57 D N 1.239 121.603 120.400 -0.059 0.000 2.304 57 D HA 0.720 5.360 4.640 -0.000 0.000 0.250 57 D C 0.493 176.748 176.300 -0.074 0.000 1.107 57 D CA 1.439 55.358 54.000 -0.135 0.000 0.885 57 D CB 1.524 42.286 40.800 -0.063 0.000 1.192 57 D HN 1.294 nan 8.370 nan 0.000 0.436 58 G N 0.806 109.430 108.800 -0.293 0.000 2.498 58 G HA2 0.187 4.147 3.960 -0.000 0.000 0.181 58 G HA3 0.187 4.147 3.960 -0.000 0.000 0.181 58 G C -1.908 172.682 174.900 -0.517 0.000 1.169 58 G CA -0.686 44.343 45.100 -0.119 0.000 0.992 58 G HN 0.320 nan 8.290 nan 0.000 0.490 59 Y N 1.029 121.341 120.300 0.020 0.000 2.331 59 Y HA 0.695 5.245 4.550 -0.000 0.000 0.334 59 Y C 0.641 176.523 175.900 -0.029 0.000 0.960 59 Y CA -0.225 57.881 58.100 0.010 0.000 1.130 59 Y CB 2.168 40.670 38.460 0.071 0.000 1.164 59 Y HN 0.772 nan 8.280 nan 0.000 0.458 60 A N 3.395 126.247 122.820 0.054 0.000 2.409 60 A HA 0.678 4.998 4.320 -0.000 0.000 0.262 60 A C -0.177 177.442 177.584 0.058 0.000 1.113 60 A CA -0.215 51.832 52.037 0.017 0.000 0.790 60 A CB -0.079 18.907 19.000 -0.024 0.000 1.046 60 A HN 0.853 nan 8.150 nan 0.000 0.496 61 V N 0.449 120.374 119.914 0.020 0.000 3.181 61 V HA 0.713 4.833 4.120 -0.000 0.000 0.308 61 V C -0.488 175.588 176.094 -0.030 0.000 1.214 61 V CA -1.397 60.907 62.300 0.006 0.000 1.053 61 V CB 1.772 33.594 31.823 -0.002 0.000 1.069 61 V HN 0.826 nan 8.190 nan 0.000 0.441 62 R N 1.372 121.841 120.500 -0.051 0.000 2.196 62 R HA 0.655 4.995 4.340 -0.000 0.000 0.340 62 R C 1.301 177.519 176.300 -0.137 0.000 1.043 62 R CA 0.194 56.244 56.100 -0.083 0.000 0.883 62 R CB 1.390 31.638 30.300 -0.087 0.000 1.078 62 R HN 1.035 nan 8.270 nan 0.000 0.462 63 A N 4.077 126.824 122.820 -0.122 0.000 1.927 63 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 63 A C 1.929 179.207 177.584 -0.509 0.000 1.185 63 A CA 2.071 54.027 52.037 -0.134 0.000 0.639 63 A CB -0.425 18.598 19.000 0.037 0.000 0.820 63 A HN 0.929 nan 8.150 nan 0.000 0.451 64 E N -0.470 119.266 120.200 -0.773 0.000 2.171 64 E HA -0.259 4.091 4.350 -0.000 0.000 0.197 64 E C 0.670 176.768 176.600 -0.837 0.000 0.997 64 E CA 1.403 56.965 56.400 -1.397 0.000 0.810 64 E CB -0.590 28.717 29.700 -0.655 0.000 0.738 64 E HN 0.522 nan 8.360 nan 0.000 0.467 65 D N 0.967 121.117 120.400 -0.416 0.000 2.371 65 D HA -0.074 4.566 4.640 -0.000 0.000 0.221 65 D C 1.571 177.777 176.300 -0.157 0.000 0.986 65 D CA 1.642 55.508 54.000 -0.223 0.000 0.899 65 D CB 0.141 40.858 40.800 -0.138 0.000 0.902 65 D HN 0.477 nan 8.370 nan 0.000 0.530 66 T N -3.141 111.312 114.554 -0.167 0.000 3.044 66 T HA 0.060 4.410 4.350 -0.000 0.000 0.260 66 T C 1.476 176.283 174.700 0.178 0.000 1.019 66 T CA -0.367 61.730 62.100 -0.005 0.000 0.921 66 T CB -0.300 68.583 68.868 0.024 0.000 1.053 66 T HN -0.199 nan 8.240 nan 0.000 0.533 67 F N 2.098 122.054 119.950 0.010 0.000 2.202 67 F HA 0.177 4.704 4.527 0.000 0.000 0.301 67 F C 1.984 177.793 175.800 0.014 0.000 1.082 67 F CA 0.408 58.419 58.000 0.019 0.000 1.313 67 F CB -0.627 38.384 39.000 0.019 0.000 1.024 67 F HN 0.257 nan 8.300 nan 0.000 0.495 68 M N -0.461 119.254 119.600 0.192 0.000 2.494 68 M HA 0.237 4.717 4.480 -0.000 0.000 0.232 68 M C 0.784 177.127 176.300 0.071 0.000 1.137 68 M CA -0.154 55.209 55.300 0.106 0.000 1.012 68 M CB -1.579 31.064 32.600 0.072 0.000 1.567 68 M HN -0.084 nan 8.290 nan 0.000 0.486 69 A N 1.848 124.714 122.820 0.077 0.000 2.488 69 A HA 0.412 4.732 4.320 -0.000 0.000 0.249 69 A C 0.591 178.216 177.584 0.069 0.000 1.083 69 A CA 0.066 52.130 52.037 0.045 0.000 0.768 69 A CB 0.037 19.056 19.000 0.032 0.000 1.017 69 A HN 0.506 nan 8.150 nan 0.000 0.496 70 S N 1.016 116.762 115.700 0.076 0.000 2.579 70 S HA 0.430 4.900 4.470 -0.000 0.000 0.272 70 S C 0.203 174.905 174.600 0.170 0.000 1.141 70 S CA -0.506 57.755 58.200 0.102 0.000 0.843 70 S CB 1.127 64.370 63.200 0.071 0.000 1.122 70 S HN 0.646 nan 8.310 nan 0.000 0.468 71 E N 0.587 120.884 120.200 0.163 0.000 2.204 71 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 71 E C 1.970 178.666 176.600 0.161 0.000 0.990 71 E CA 1.270 57.776 56.400 0.178 0.000 0.821 71 E CB -0.245 29.478 29.700 0.039 0.000 0.750 71 E HN 0.719 nan 8.360 nan 0.000 0.477 72 A N 1.191 124.075 122.820 0.108 0.000 1.903 72 A HA -0.025 4.295 4.320 -0.000 0.000 0.213 72 A C 1.444 179.080 177.584 0.088 0.000 1.185 72 A CA 0.827 52.911 52.037 0.079 0.000 0.628 72 A CB 0.276 19.305 19.000 0.048 0.000 0.830 72 A HN 0.188 nan 8.150 nan 0.000 0.446 73 S N 0.425 116.175 115.700 0.082 0.000 2.399 73 S HA 0.517 4.987 4.470 -0.000 0.000 0.215 73 S C -2.998 171.616 174.600 0.023 0.000 1.456 73 S CA -1.491 56.738 58.200 0.049 0.000 1.199 73 S CB 1.362 64.579 63.200 0.030 0.000 1.063 73 S HN 0.241 nan 8.310 nan 0.000 0.476 74 P HA 0.252 nan 4.420 nan 0.000 0.274 74 P C -0.329 176.862 177.300 -0.182 0.000 1.231 74 P CA -0.364 62.609 63.100 -0.212 0.000 0.790 74 P CB 1.015 32.338 31.700 -0.627 0.000 0.951 75 V N 3.505 123.304 119.914 -0.192 0.000 2.607 75 V HA 0.286 4.406 4.120 -0.000 0.000 0.289 75 V C 1.055 177.046 176.094 -0.171 0.000 1.053 75 V CA -0.343 61.877 62.300 -0.134 0.000 0.996 75 V CB 0.748 32.515 31.823 -0.093 0.000 0.995 75 V HN 0.534 nan 8.190 nan 0.000 0.476 76 R N 4.664 125.088 120.500 -0.126 0.000 2.295 76 R HA 0.628 4.968 4.340 -0.000 0.000 0.324 76 R C -1.557 174.684 176.300 -0.099 0.000 0.968 76 R CA -0.521 55.504 56.100 -0.125 0.000 0.837 76 R CB 0.945 31.187 30.300 -0.097 0.000 1.133 76 R HN 0.666 nan 8.270 nan 0.000 0.450 77 L N 3.534 124.691 121.223 -0.110 0.000 2.346 77 L HA 0.495 4.835 4.340 -0.000 0.000 0.274 77 L C -0.161 176.667 176.870 -0.070 0.000 1.007 77 L CA -0.925 53.867 54.840 -0.080 0.000 0.818 77 L CB 2.148 44.160 42.059 -0.078 0.000 1.284 77 L HN 0.450 nan 8.230 nan 0.000 0.424 78 K N 1.660 122.038 120.400 -0.037 0.000 2.227 78 K HA 0.397 4.717 4.320 -0.000 0.000 0.280 78 K C -0.955 175.651 176.600 0.010 0.000 1.041 78 K CA -0.563 55.711 56.287 -0.021 0.000 0.905 78 K CB 1.403 33.894 32.500 -0.015 0.000 1.068 78 K HN 0.352 nan 8.250 nan 0.000 0.470 79 V N 7.660 127.589 119.914 0.025 0.000 2.387 79 V HA 0.056 4.176 4.120 -0.000 0.000 0.260 79 V C 1.077 177.206 176.094 0.058 0.000 1.054 79 V CA -0.064 62.293 62.300 0.096 0.000 0.967 79 V CB 0.187 32.110 31.823 0.166 0.000 1.036 79 V HN 0.779 nan 8.190 nan 0.000 0.481 80 I N 1.934 122.527 120.570 0.038 0.000 3.956 80 I HA 0.686 4.856 4.170 -0.000 0.000 0.333 80 I C 0.776 176.770 176.117 -0.205 0.000 1.302 80 I CA 0.397 61.662 61.300 -0.059 0.000 1.122 80 I CB 0.302 38.267 38.000 -0.058 0.000 1.013 80 I HN 0.605 nan 8.210 nan 0.000 0.405 81 G N 0.721 109.439 108.800 -0.136 0.000 2.427 81 G HA2 0.533 4.493 3.960 -0.000 0.000 0.306 81 G HA3 0.533 4.493 3.960 -0.000 0.000 0.306 81 G C -1.481 173.471 174.900 0.087 0.000 1.280 81 G CA 0.058 45.001 45.100 -0.262 0.000 0.837 81 G HN 0.421 nan 8.290 nan 0.000 0.482 82 S N -2.043 113.769 115.700 0.187 0.000 2.596 82 S HA 0.799 5.269 4.470 -0.000 0.000 0.270 82 S C -1.574 173.209 174.600 0.305 0.000 1.155 82 S CA -0.690 57.683 58.200 0.288 0.000 0.827 82 S CB 1.890 65.301 63.200 0.352 0.000 1.130 82 S HN 1.472 nan 8.310 nan 0.000 0.467 83 V N 2.106 122.075 119.914 0.092 0.000 2.623 83 V HA 0.573 4.693 4.120 -0.000 0.000 0.304 83 V C -1.208 174.786 176.094 -0.167 0.000 1.054 83 V CA -0.489 61.831 62.300 0.034 0.000 0.882 83 V CB 1.342 33.134 31.823 -0.052 0.000 1.002 83 V HN 1.040 nan 8.190 nan 0.000 0.424 84 H N 1.482 120.565 119.070 0.023 0.000 2.737 84 H HA 0.793 5.349 4.556 0.000 0.000 0.358 84 H C 0.477 175.800 175.328 -0.009 0.000 1.187 84 H CA 0.037 56.094 56.048 0.015 0.000 1.221 84 H CB 1.468 31.255 29.762 0.041 0.000 1.799 84 H HN 0.935 nan 8.280 nan 0.000 0.568 85 A N 0.561 123.455 122.820 0.124 0.000 2.598 85 A HA 0.330 4.650 4.320 -0.000 0.000 0.239 85 A C 1.559 179.171 177.584 0.045 0.000 1.032 85 A CA 1.142 53.221 52.037 0.069 0.000 0.760 85 A CB -1.300 17.745 19.000 0.074 0.000 0.946 85 A HN 1.250 nan 8.150 nan 0.000 0.512 86 G N 1.702 110.506 108.800 0.007 0.000 2.205 86 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.261 86 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.261 86 G C 0.040 174.903 174.900 -0.062 0.000 0.980 86 G CA 0.618 45.705 45.100 -0.021 0.000 0.632 86 G HN 0.955 nan 8.290 nan 0.000 0.533 87 E N 0.635 120.798 120.200 -0.062 0.000 2.313 87 E HA 0.456 4.806 4.350 -0.000 0.000 0.272 87 E C -0.017 176.494 176.600 -0.148 0.000 1.038 87 E CA -0.445 55.917 56.400 -0.063 0.000 0.863 87 E CB 1.299 31.002 29.700 0.006 0.000 1.060 87 E HN 0.443 nan 8.360 nan 0.000 0.402 88 E N 3.612 123.739 120.200 -0.122 0.000 2.081 88 E HA 0.212 4.562 4.350 -0.000 0.000 0.276 88 E C -2.372 174.159 176.600 -0.116 0.000 0.950 88 E CA -2.447 53.858 56.400 -0.159 0.000 0.776 88 E CB 0.652 30.281 29.700 -0.119 0.000 1.094 88 E HN 0.096 nan 8.360 nan 0.000 0.402 89 P HA -0.047 nan 4.420 nan 0.000 0.261 89 P C -0.494 176.718 177.300 -0.147 0.000 1.183 89 P CA 0.032 63.008 63.100 -0.207 0.000 0.761 89 P CB 0.521 31.982 31.700 -0.400 0.000 0.785 90 K N 3.360 123.766 120.400 0.010 0.000 2.498 90 K HA 0.252 4.572 4.320 -0.000 0.000 0.207 90 K C 0.027 176.724 176.600 0.163 0.000 1.033 90 K CA -0.036 56.291 56.287 0.066 0.000 1.138 90 K CB -0.313 32.248 32.500 0.101 0.000 0.860 90 K HN 0.527 nan 8.250 nan 0.000 0.490 91 F N -0.794 119.150 119.950 -0.011 0.000 2.685 91 F HA 0.590 5.117 4.527 -0.000 0.000 0.315 91 F C -0.931 174.865 175.800 -0.007 0.000 1.126 91 F CA -1.474 56.523 58.000 -0.005 0.000 0.950 91 F CB 1.171 40.172 39.000 0.002 0.000 1.360 91 F HN -0.197 nan 8.300 nan 0.000 0.469 92 K N 1.515 121.970 120.400 0.091 0.000 2.400 92 K HA 0.762 5.082 4.320 -0.000 0.000 0.246 92 K C -1.804 174.876 176.600 0.134 0.000 0.995 92 K CA -0.951 55.329 56.287 -0.012 0.000 0.840 92 K CB 2.569 35.063 32.500 -0.010 0.000 1.293 92 K HN 0.838 nan 8.250 nan 0.000 0.445 93 L N 1.644 122.906 121.223 0.065 0.000 2.292 93 L HA 0.427 4.767 4.340 -0.000 0.000 0.284 93 L C 0.616 177.514 176.870 0.048 0.000 1.065 93 L CA -0.625 54.271 54.840 0.093 0.000 0.806 93 L CB 1.441 43.538 42.059 0.063 0.000 1.175 93 L HN 0.936 nan 8.230 nan 0.000 0.431 94 G N 1.833 110.662 108.800 0.049 0.000 2.511 94 G HA2 0.368 4.328 3.960 -0.000 0.000 0.316 94 G HA3 0.368 4.328 3.960 -0.000 0.000 0.316 94 G C -0.721 174.181 174.900 0.003 0.000 1.210 94 G CA -0.782 44.331 45.100 0.021 0.000 0.969 94 G HN 0.698 nan 8.290 nan 0.000 0.492 95 K N -1.120 119.274 120.400 -0.011 0.000 2.448 95 K HA 0.412 4.732 4.320 -0.000 0.000 0.278 95 K C 0.872 177.458 176.600 -0.023 0.000 1.009 95 K CA 0.428 56.699 56.287 -0.027 0.000 0.995 95 K CB 0.616 33.097 32.500 -0.031 0.000 0.917 95 K HN 1.487 nan 8.250 nan 0.000 0.481 96 G N 1.595 110.375 108.800 -0.034 0.000 2.143 96 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 96 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 96 G C -0.616 174.273 174.900 -0.018 0.000 0.991 96 G CA 0.355 45.435 45.100 -0.032 0.000 0.689 96 G HN 0.719 nan 8.290 nan 0.000 0.522 97 E N -0.479 119.720 120.200 -0.001 0.000 2.256 97 E HA 0.768 5.118 4.350 -0.000 0.000 0.267 97 E C 0.119 176.750 176.600 0.051 0.000 0.892 97 E CA -0.195 56.221 56.400 0.027 0.000 0.775 97 E CB 2.080 31.809 29.700 0.048 0.000 1.207 97 E HN 0.775 nan 8.360 nan 0.000 0.420 98 A N 1.157 124.028 122.820 0.085 0.000 2.530 98 A HA 0.933 5.253 4.320 -0.000 0.000 0.288 98 A C -1.593 176.126 177.584 0.224 0.000 1.172 98 A CA -0.488 51.632 52.037 0.139 0.000 0.733 98 A CB 1.861 20.935 19.000 0.124 0.000 1.320 98 A HN 0.573 nan 8.150 nan 0.000 0.419 99 A N -0.397 122.587 122.820 0.274 0.000 2.455 99 A HA 0.611 4.931 4.320 -0.000 0.000 0.300 99 A C -1.201 176.515 177.584 0.220 0.000 1.040 99 A CA -0.450 51.765 52.037 0.297 0.000 0.697 99 A CB 0.656 19.874 19.000 0.363 0.000 1.265 99 A HN 1.603 nan 8.150 nan 0.000 0.407 100 Y N 2.046 122.398 120.300 0.087 0.000 2.411 100 Y HA 0.579 5.129 4.550 -0.000 0.000 0.333 100 Y C -0.202 175.571 175.900 -0.211 0.000 1.186 100 Y CA 0.191 58.138 58.100 -0.255 0.000 1.381 100 Y CB 0.463 38.811 38.460 -0.188 0.000 1.273 100 Y HN 0.691 nan 8.280 nan 0.000 0.546 101 I N 5.008 124.778 120.570 -1.333 0.000 2.752 101 I HA 0.371 4.541 4.170 -0.000 0.000 0.295 101 I C -1.149 174.349 176.117 -1.032 0.000 1.219 101 I CA -0.456 60.313 61.300 -0.885 0.000 1.030 101 I CB 1.710 39.455 38.000 -0.426 0.000 1.259 101 I HN 0.769 nan 8.210 nan 0.000 0.423 102 S N 3.478 118.776 115.700 -0.669 0.000 2.654 102 S HA 0.507 4.977 4.470 -0.000 0.000 0.283 102 S C -0.138 174.337 174.600 -0.210 0.000 1.180 102 S CA -0.562 57.407 58.200 -0.384 0.000 1.021 102 S CB 1.446 64.532 63.200 -0.190 0.000 1.018 102 S HN 0.643 nan 8.310 nan 0.000 0.532 103 T N 1.825 116.305 114.554 -0.124 0.000 2.933 103 T HA 0.414 4.764 4.350 -0.000 0.000 0.306 103 T C 1.589 176.272 174.700 -0.028 0.000 1.045 103 T CA 1.123 63.183 62.100 -0.066 0.000 1.143 103 T CB -0.269 68.578 68.868 -0.035 0.000 1.003 103 T HN 1.643 nan 8.240 nan 0.000 0.540 104 G N 1.636 110.434 108.800 -0.004 0.000 2.253 104 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.251 104 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.251 104 G C 0.356 175.339 174.900 0.138 0.000 0.998 104 G CA 0.105 45.236 45.100 0.051 0.000 0.621 104 G HN 1.215 nan 8.290 nan 0.000 0.524 105 A N 0.473 123.327 122.820 0.057 0.000 2.366 105 A HA 0.723 5.043 4.320 -0.000 0.000 0.249 105 A C 0.623 178.262 177.584 0.093 0.000 1.084 105 A CA 0.698 52.757 52.037 0.037 0.000 0.794 105 A CB 0.416 19.365 19.000 -0.085 0.000 1.034 105 A HN 1.182 nan 8.150 nan 0.000 0.491 106 M N 1.646 121.214 119.600 -0.054 0.000 2.200 106 M HA 0.334 4.814 4.480 -0.000 0.000 0.355 106 M C -1.139 175.110 176.300 -0.086 0.000 1.283 106 M CA -0.543 54.707 55.300 -0.084 0.000 1.124 106 M CB 0.046 32.319 32.600 -0.545 0.000 1.625 106 M HN 0.549 nan 8.290 nan 0.000 0.463 107 L N 8.437 129.646 121.223 -0.024 0.000 2.456 107 L HA 0.304 4.644 4.340 -0.000 0.000 0.272 107 L C -1.781 174.994 176.870 -0.158 0.000 1.189 107 L CA -0.943 53.847 54.840 -0.083 0.000 0.846 107 L CB -0.210 41.822 42.059 -0.045 0.000 1.111 107 L HN 0.567 nan 8.230 nan 0.000 0.475 108 P HA 0.126 nan 4.420 nan 0.000 0.274 108 P C -0.156 176.989 177.300 -0.259 0.000 1.256 108 P CA -0.571 62.282 63.100 -0.411 0.000 0.795 108 P CB 0.436 31.712 31.700 -0.706 0.000 1.038 109 G N 0.980 109.622 108.800 -0.264 0.000 2.391 109 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.234 109 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.234 109 G C 0.587 175.432 174.900 -0.092 0.000 1.284 109 G CA -0.071 44.945 45.100 -0.141 0.000 0.873 109 G HN 0.700 nan 8.290 nan 0.000 0.549 110 N N -1.341 117.323 118.700 -0.059 0.000 2.961 110 N HA -0.207 4.533 4.740 -0.000 0.000 0.223 110 N C 0.788 176.274 175.510 -0.040 0.000 0.866 110 N CA 1.411 54.437 53.050 -0.040 0.000 1.030 110 N CB -1.451 37.019 38.487 -0.029 0.000 1.037 110 N HN 1.163 nan 8.380 nan 0.000 0.608 111 A N 1.198 123.987 122.820 -0.050 0.000 2.388 111 A HA 0.425 4.745 4.320 -0.000 0.000 0.257 111 A C 0.867 178.430 177.584 -0.035 0.000 1.095 111 A CA 0.718 52.730 52.037 -0.042 0.000 0.791 111 A CB 0.335 19.306 19.000 -0.049 0.000 1.029 111 A HN 0.319 nan 8.150 nan 0.000 0.489 112 D N -0.770 119.611 120.400 -0.031 0.000 2.538 112 D HA 0.460 5.100 4.640 -0.000 0.000 0.241 112 D C -0.181 176.101 176.300 -0.031 0.000 1.297 112 D CA 0.659 54.647 54.000 -0.020 0.000 0.804 112 D CB -0.058 40.739 40.800 -0.004 0.000 1.122 112 D HN 0.781 nan 8.370 nan 0.000 0.519 113 A N -0.353 122.439 122.820 -0.047 0.000 2.612 113 A HA 0.681 5.001 4.320 -0.000 0.000 0.293 113 A C -1.766 175.782 177.584 -0.060 0.000 1.075 113 A CA -0.710 51.280 52.037 -0.078 0.000 0.680 113 A CB 1.893 20.826 19.000 -0.111 0.000 1.279 113 A HN 0.094 nan 8.150 nan 0.000 0.411 114 V N 1.956 121.828 119.914 -0.071 0.000 2.483 114 V HA 0.425 4.545 4.120 -0.000 0.000 0.297 114 V C -0.592 175.487 176.094 -0.024 0.000 1.027 114 V CA -0.183 62.092 62.300 -0.042 0.000 0.855 114 V CB 1.505 33.290 31.823 -0.064 0.000 0.995 114 V HN 0.704 nan 8.190 nan 0.000 0.424 115 I N 4.103 124.696 120.570 0.038 0.000 2.315 115 I HA 0.311 4.481 4.170 -0.000 0.000 0.291 115 I C 0.638 176.831 176.117 0.128 0.000 1.006 115 I CA -0.454 60.886 61.300 0.066 0.000 1.265 115 I CB 1.268 39.318 38.000 0.083 0.000 1.387 115 I HN 0.654 nan 8.210 nan 0.000 0.475 116 Q N 3.546 123.408 119.800 0.103 0.000 2.352 116 Q HA -0.135 4.205 4.340 -0.000 0.000 0.326 116 Q C 0.775 176.924 176.000 0.249 0.000 1.135 116 Q CA 0.357 56.248 55.803 0.147 0.000 1.000 116 Q CB 0.634 29.443 28.738 0.118 0.000 1.237 116 Q HN 0.616 nan 8.270 nan 0.000 0.409 117 F N 2.501 122.534 119.950 0.139 0.000 2.091 117 F HA -0.242 4.285 4.527 -0.000 0.000 0.299 117 F C 1.457 177.381 175.800 0.206 0.000 1.103 117 F CA 2.168 60.308 58.000 0.233 0.000 1.228 117 F CB 0.154 39.267 39.000 0.188 0.000 0.984 117 F HN 0.608 nan 8.300 nan 0.000 0.477 118 E N -0.387 119.923 120.200 0.183 0.000 2.418 118 E HA -0.119 4.231 4.350 -0.000 0.000 0.197 118 E C 1.165 177.784 176.600 0.032 0.000 1.026 118 E CA 1.048 57.487 56.400 0.065 0.000 0.862 118 E CB -0.450 29.322 29.700 0.120 0.000 0.799 118 E HN 0.417 nan 8.360 nan 0.000 0.518 119 D N 0.392 120.829 120.400 0.063 0.000 2.325 119 D HA 0.039 4.679 4.640 -0.000 0.000 0.225 119 D C 0.192 176.539 176.300 0.078 0.000 1.096 119 D CA 0.189 54.233 54.000 0.073 0.000 0.844 119 D CB 0.438 41.289 40.800 0.085 0.000 0.925 119 D HN 0.109 nan 8.370 nan 0.000 0.513 120 V N -2.603 117.319 119.914 0.014 0.000 3.130 120 V HA 0.559 4.679 4.120 -0.000 0.000 0.310 120 V C -0.953 175.101 176.094 -0.066 0.000 1.158 120 V CA -1.109 61.175 62.300 -0.027 0.000 1.029 120 V CB 3.057 34.792 31.823 -0.146 0.000 1.057 120 V HN -0.142 nan 8.190 nan 0.000 0.436 121 E N 1.454 121.626 120.200 -0.047 0.000 2.176 121 E HA 0.526 4.876 4.350 -0.000 0.000 0.267 121 E C -0.668 175.857 176.600 -0.124 0.000 0.893 121 E CA -0.851 55.523 56.400 -0.044 0.000 0.761 121 E CB 1.708 31.465 29.700 0.096 0.000 1.133 121 E HN 0.732 nan 8.360 nan 0.000 0.409 122 R N 2.328 122.750 120.500 -0.130 0.000 2.265 122 R HA 0.360 4.700 4.340 -0.000 0.000 0.314 122 R C -0.680 175.585 176.300 -0.058 0.000 1.053 122 R CA -0.508 55.525 56.100 -0.111 0.000 0.931 122 R CB 1.197 31.462 30.300 -0.059 0.000 1.024 122 R HN 0.379 nan 8.270 nan 0.000 0.457 123 V N -0.013 119.865 119.914 -0.060 0.000 2.711 123 V HA 0.310 4.430 4.120 -0.000 0.000 0.304 123 V C -0.704 175.372 176.094 -0.031 0.000 1.097 123 V CA -1.353 60.925 62.300 -0.036 0.000 0.906 123 V CB 1.862 33.664 31.823 -0.036 0.000 1.015 123 V HN 0.877 nan 8.190 nan 0.000 0.427 124 N N 3.427 122.117 118.700 -0.016 0.000 2.689 124 N HA -0.111 4.629 4.740 -0.000 0.000 0.263 124 N C 1.201 176.703 175.510 -0.012 0.000 0.987 124 N CA 1.896 54.939 53.050 -0.012 0.000 0.782 124 N CB -1.064 37.415 38.487 -0.014 0.000 0.903 124 N HN 2.253 nan 8.380 nan 0.000 0.547 125 G N -1.235 107.563 108.800 -0.004 0.000 2.225 125 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.267 125 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.267 125 G C -0.197 174.695 174.900 -0.012 0.000 1.024 125 G CA 0.859 45.962 45.100 0.005 0.000 0.784 125 G HN 0.637 nan 8.290 nan 0.000 0.507 126 E N -1.148 119.026 120.200 -0.043 0.000 2.446 126 E HA 0.724 5.074 4.350 -0.000 0.000 0.276 126 E C 0.039 176.550 176.600 -0.147 0.000 0.969 126 E CA -0.820 55.532 56.400 -0.080 0.000 0.800 126 E CB 2.166 31.824 29.700 -0.069 0.000 1.341 126 E HN 0.575 nan 8.360 nan 0.000 0.460 127 I N -1.791 118.657 120.570 -0.205 0.000 2.828 127 I HA 0.545 4.715 4.170 -0.000 0.000 0.302 127 I C -1.286 174.683 176.117 -0.247 0.000 1.101 127 I CA -1.141 59.987 61.300 -0.287 0.000 1.031 127 I CB 1.574 39.261 38.000 -0.522 0.000 1.231 127 I HN 0.301 nan 8.210 nan 0.000 0.427 128 L N 5.390 126.455 121.223 -0.264 0.000 2.307 128 L HA 0.594 4.934 4.340 -0.000 0.000 0.284 128 L C -0.647 175.929 176.870 -0.490 0.000 1.023 128 L CA -0.604 54.009 54.840 -0.377 0.000 0.810 128 L CB 1.930 43.748 42.059 -0.401 0.000 1.231 128 L HN 0.517 nan 8.230 nan 0.000 0.423 129 I N 2.580 122.856 120.570 -0.489 0.000 2.406 129 I HA 0.185 4.355 4.170 -0.000 0.000 0.290 129 I C -0.451 175.411 176.117 -0.425 0.000 0.999 129 I CA -0.315 60.780 61.300 -0.341 0.000 1.124 129 I CB 1.678 39.583 38.000 -0.158 0.000 1.289 129 I HN 0.565 nan 8.210 nan 0.000 0.441 130 Y N 3.970 124.267 120.300 -0.005 0.000 2.444 130 Y HA 0.296 4.846 4.550 0.000 0.000 0.249 130 Y C 0.743 176.656 175.900 0.022 0.000 1.134 130 Y CA -0.221 57.882 58.100 0.005 0.000 1.261 130 Y CB 0.468 38.927 38.460 -0.001 0.000 1.143 130 Y HN 0.399 nan 8.280 nan 0.000 0.523 131 K N 0.986 121.473 120.400 0.145 0.000 2.482 131 K HA 0.406 4.726 4.320 -0.000 0.000 0.251 131 K C -3.187 173.480 176.600 0.111 0.000 0.936 131 K CA -2.140 54.221 56.287 0.122 0.000 0.791 131 K CB 1.936 34.509 32.500 0.123 0.000 1.213 131 K HN -0.254 nan 8.250 nan 0.000 0.428 132 P HA 0.078 nan 4.420 nan 0.000 0.268 132 P C -1.258 176.160 177.300 0.198 0.000 1.205 132 P CA -0.158 63.054 63.100 0.188 0.000 0.771 132 P CB 1.203 33.027 31.700 0.208 0.000 0.858 133 A N 2.962 125.898 122.820 0.194 0.000 2.248 133 A HA 0.748 5.068 4.320 -0.000 0.000 0.316 133 A C -1.043 176.691 177.584 0.250 0.000 1.101 133 A CA -0.289 51.807 52.037 0.100 0.000 0.875 133 A CB 0.401 19.392 19.000 -0.015 0.000 1.207 133 A HN 0.610 nan 8.150 nan 0.000 0.504 134 Y N -3.161 117.230 120.300 0.151 0.000 2.512 134 Y HA 0.678 5.228 4.550 0.000 0.000 0.348 134 Y C -3.098 172.873 175.900 0.118 0.000 0.990 134 Y CA -3.466 54.733 58.100 0.165 0.000 1.033 134 Y CB 0.302 38.814 38.460 0.088 0.000 1.259 134 Y HN 0.352 nan 8.280 nan 0.000 0.461 135 P HA 0.167 nan 4.420 nan 0.000 0.261 135 P C 0.829 178.215 177.300 0.142 0.000 1.183 135 P CA 2.430 65.612 63.100 0.137 0.000 0.761 135 P CB 0.654 32.445 31.700 0.152 0.000 0.785 136 G N 2.083 110.899 108.800 0.027 0.000 2.254 136 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.225 136 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.225 136 G C -0.062 174.804 174.900 -0.056 0.000 1.003 136 G CA -0.159 44.964 45.100 0.038 0.000 0.622 136 G HN 0.635 nan 8.290 nan 0.000 0.507 137 L N 2.095 123.117 121.223 -0.335 0.000 2.540 137 L HA 0.491 4.831 4.340 -0.000 0.000 0.276 137 L C 1.597 178.351 176.870 -0.193 0.000 1.212 137 L CA 1.831 56.393 54.840 -0.463 0.000 0.893 137 L CB 0.458 41.978 42.059 -0.898 0.000 1.138 137 L HN 1.829 nan 8.230 nan 0.000 0.491 138 G N 3.300 112.040 108.800 -0.100 0.000 2.203 138 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.263 138 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.263 138 G C -0.095 174.776 174.900 -0.048 0.000 1.012 138 G CA 0.300 45.365 45.100 -0.057 0.000 0.749 138 G HN 0.842 nan 8.290 nan 0.000 0.512 139 V N -0.177 119.714 119.914 -0.039 0.000 2.709 139 V HA 0.745 4.865 4.120 -0.000 0.000 0.308 139 V C -0.035 176.047 176.094 -0.020 0.000 1.062 139 V CA -0.688 61.595 62.300 -0.029 0.000 0.901 139 V CB 1.999 33.807 31.823 -0.026 0.000 1.003 139 V HN 0.402 nan 8.190 nan 0.000 0.425 140 M N 5.135 124.715 119.600 -0.034 0.000 2.055 140 M HA 0.486 4.966 4.480 -0.000 0.000 0.346 140 M C -0.304 175.960 176.300 -0.060 0.000 1.074 140 M CA -0.181 55.090 55.300 -0.047 0.000 1.009 140 M CB 0.251 32.809 32.600 -0.070 0.000 1.423 140 M HN 0.546 nan 8.290 nan 0.000 0.410 141 K N 2.946 123.324 120.400 -0.038 0.000 2.319 141 K HA 0.121 4.441 4.320 -0.000 0.000 0.265 141 K C -0.185 176.378 176.600 -0.062 0.000 1.000 141 K CA -0.386 55.880 56.287 -0.035 0.000 0.943 141 K CB 0.549 33.042 32.500 -0.011 0.000 0.950 141 K HN 0.604 nan 8.250 nan 0.000 0.485 142 K N 0.930 121.296 120.400 -0.056 0.000 2.491 142 K HA -0.136 4.184 4.320 -0.000 0.000 0.279 142 K C 0.670 177.238 176.600 -0.054 0.000 1.026 142 K CA 1.177 57.422 56.287 -0.071 0.000 1.070 142 K CB -0.237 32.250 32.500 -0.022 0.000 0.887 142 K HN 0.824 nan 8.250 nan 0.000 0.481 143 G N 3.981 112.739 108.800 -0.070 0.000 2.179 143 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 143 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 143 G C 0.485 175.361 174.900 -0.039 0.000 0.977 143 G CA 0.259 45.331 45.100 -0.046 0.000 0.641 143 G HN 0.615 nan 8.290 nan 0.000 0.533 144 I N 1.144 121.687 120.570 -0.046 0.000 2.676 144 I HA 0.079 4.249 4.170 -0.000 0.000 0.259 144 I C 2.188 178.284 176.117 -0.035 0.000 1.194 144 I CA 1.504 62.783 61.300 -0.034 0.000 1.473 144 I CB -0.147 37.835 38.000 -0.031 0.000 1.096 144 I HN 0.267 nan 8.210 nan 0.000 0.443 145 D N 0.529 120.900 120.400 -0.049 0.000 2.154 145 D HA 0.086 4.726 4.640 -0.000 0.000 0.211 145 D C 0.635 176.914 176.300 -0.035 0.000 0.977 145 D CA 1.137 55.110 54.000 -0.045 0.000 0.869 145 D CB 0.429 41.193 40.800 -0.061 0.000 1.022 145 D HN 0.124 nan 8.370 nan 0.000 0.461 146 I N 1.297 121.845 120.570 -0.037 0.000 2.500 146 I HA 0.171 4.341 4.170 -0.000 0.000 0.286 146 I C -0.345 175.761 176.117 -0.018 0.000 1.063 146 I CA -0.625 60.661 61.300 -0.024 0.000 1.062 146 I CB 2.448 40.434 38.000 -0.023 0.000 1.223 146 I HN -0.133 nan 8.210 nan 0.000 0.435 147 E N 5.626 125.821 120.200 -0.007 0.000 2.338 147 E HA 0.103 4.453 4.350 -0.000 0.000 0.272 147 E C -0.163 176.441 176.600 0.008 0.000 1.029 147 E CA -0.416 55.982 56.400 -0.003 0.000 0.872 147 E CB 1.184 30.884 29.700 0.001 0.000 1.015 147 E HN 0.357 nan 8.360 nan 0.000 0.417 148 K N 1.459 121.862 120.400 0.005 0.000 2.489 148 K HA -0.040 4.280 4.320 -0.000 0.000 0.278 148 K C 0.678 177.291 176.600 0.021 0.000 1.000 148 K CA 1.167 57.462 56.287 0.014 0.000 1.012 148 K CB 0.134 32.638 32.500 0.006 0.000 0.903 148 K HN 0.739 nan 8.250 nan 0.000 0.485 149 G N 2.982 111.810 108.800 0.046 0.000 2.175 149 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.244 149 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.244 149 G C 0.124 175.106 174.900 0.136 0.000 0.982 149 G CA 0.271 45.401 45.100 0.050 0.000 0.641 149 G HN 0.701 nan 8.290 nan 0.000 0.527 150 R N 0.287 120.862 120.500 0.124 0.000 2.543 150 R HA 0.472 4.812 4.340 -0.000 0.000 0.277 150 R C 0.504 176.916 176.300 0.187 0.000 1.074 150 R CA -0.701 55.480 56.100 0.135 0.000 1.076 150 R CB 0.247 30.582 30.300 0.057 0.000 0.993 150 R HN 0.352 nan 8.270 nan 0.000 0.459 151 L N 5.845 127.173 121.223 0.175 0.000 2.477 151 L HA 0.037 4.377 4.340 -0.000 0.000 0.272 151 L C 0.186 176.991 176.870 -0.109 0.000 1.157 151 L CA 0.742 55.541 54.840 -0.068 0.000 0.889 151 L CB 0.553 42.577 42.059 -0.058 0.000 1.158 151 L HN 0.791 nan 8.230 nan 0.000 0.473 152 L N 4.866 125.984 121.223 -0.174 0.000 2.362 152 L HA 0.280 4.620 4.340 -0.000 0.000 0.204 152 L C -0.076 176.713 176.870 -0.134 0.000 1.060 152 L CA 0.071 54.840 54.840 -0.119 0.000 0.827 152 L CB 0.120 42.125 42.059 -0.091 0.000 1.027 152 L HN 0.391 nan 8.230 nan 0.000 0.474 153 V N 0.385 120.191 119.914 -0.180 0.000 2.686 153 V HA 0.288 4.408 4.120 -0.000 0.000 0.306 153 V C -0.540 175.449 176.094 -0.175 0.000 1.065 153 V CA -1.006 61.205 62.300 -0.147 0.000 0.894 153 V CB 2.265 34.017 31.823 -0.118 0.000 1.004 153 V HN 0.091 nan 8.190 nan 0.000 0.424 154 K N 2.205 122.533 120.400 -0.120 0.000 2.098 154 K HA 0.416 4.736 4.320 -0.000 0.000 0.257 154 K C -0.060 176.504 176.600 -0.060 0.000 0.999 154 K CA -0.759 55.469 56.287 -0.098 0.000 0.924 154 K CB 1.365 33.833 32.500 -0.054 0.000 1.028 154 K HN 0.586 nan 8.250 nan 0.000 0.466 155 K N 0.483 120.861 120.400 -0.037 0.000 2.448 155 K HA -0.030 4.290 4.320 -0.000 0.000 0.278 155 K C 0.597 177.245 176.600 0.080 0.000 1.009 155 K CA 1.103 57.395 56.287 0.009 0.000 0.995 155 K CB 0.156 32.681 32.500 0.041 0.000 0.917 155 K HN 0.789 nan 8.250 nan 0.000 0.481 156 G N 2.413 111.309 108.800 0.161 0.000 2.176 156 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.253 156 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.253 156 G C -0.045 174.916 174.900 0.102 0.000 0.979 156 G CA 0.453 45.667 45.100 0.190 0.000 0.641 156 G HN 0.714 nan 8.290 nan 0.000 0.530 157 E N 0.408 120.640 120.200 0.053 0.000 2.313 157 E HA 0.471 4.821 4.350 -0.000 0.000 0.276 157 E C 0.685 177.302 176.600 0.029 0.000 1.031 157 E CA -0.866 55.547 56.400 0.022 0.000 0.857 157 E CB 0.465 30.155 29.700 -0.016 0.000 1.040 157 E HN 0.371 nan 8.360 nan 0.000 0.408 158 R N 4.417 124.933 120.500 0.026 0.000 2.390 158 R HA 0.189 4.529 4.340 -0.000 0.000 0.291 158 R C -0.547 175.755 176.300 0.003 0.000 1.070 158 R CA -0.423 55.695 56.100 0.030 0.000 1.014 158 R CB 0.454 30.776 30.300 0.037 0.000 1.007 158 R HN 0.533 nan 8.270 nan 0.000 0.466 159 L N 4.846 126.073 121.223 0.006 0.000 2.312 159 L HA 0.313 4.653 4.340 -0.000 0.000 0.287 159 L C 0.949 177.815 176.870 -0.007 0.000 1.091 159 L CA -0.499 54.333 54.840 -0.012 0.000 0.846 159 L CB 1.005 43.060 42.059 -0.007 0.000 1.219 159 L HN 0.795 nan 8.230 nan 0.000 0.439 160 G N 1.281 110.059 108.800 -0.037 0.000 2.537 160 G HA2 0.222 4.181 3.960 -0.000 0.000 0.297 160 G HA3 0.222 4.181 3.960 -0.000 0.000 0.297 160 G C 0.544 175.430 174.900 -0.024 0.000 1.310 160 G CA -0.534 44.554 45.100 -0.019 0.000 1.027 160 G HN 0.641 nan 8.290 nan 0.000 0.505 161 F N -0.673 119.257 119.950 -0.033 0.000 2.269 161 F HA 0.071 4.598 4.527 -0.000 0.000 0.301 161 F C 2.156 177.941 175.800 -0.025 0.000 1.082 161 F CA 1.277 59.259 58.000 -0.029 0.000 1.360 161 F CB -0.135 38.846 39.000 -0.032 0.000 1.041 161 F HN 0.299 nan 8.300 nan 0.000 0.512 162 K N 0.002 119.887 120.400 -0.858 0.000 2.103 162 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 162 K C 2.051 178.494 176.600 -0.262 0.000 1.052 162 K CA 1.451 57.374 56.287 -0.606 0.000 0.945 162 K CB -0.189 31.915 32.500 -0.661 0.000 0.722 162 K HN 0.298 nan 8.250 nan 0.000 0.443 163 Q N -0.221 119.456 119.800 -0.205 0.000 2.083 163 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 163 Q C 2.145 178.102 176.000 -0.073 0.000 0.969 163 Q CA 2.105 57.837 55.803 -0.118 0.000 0.838 163 Q CB -0.595 28.086 28.738 -0.094 0.000 0.900 163 Q HN 0.463 nan 8.270 nan 0.000 0.436 164 T N -1.810 112.716 114.554 -0.046 0.000 2.821 164 T HA -0.028 4.322 4.350 -0.000 0.000 0.267 164 T C 1.934 176.631 174.700 -0.005 0.000 1.046 164 T CA 1.076 63.169 62.100 -0.011 0.000 1.139 164 T CB -0.399 68.481 68.868 0.020 0.000 0.871 164 T HN 0.227 nan 8.240 nan 0.000 0.454 165 A N 1.517 124.335 122.820 -0.003 0.000 1.898 165 A HA 0.181 4.501 4.320 -0.000 0.000 0.216 165 A C 2.308 179.884 177.584 -0.015 0.000 1.181 165 A CA 1.390 53.433 52.037 0.010 0.000 0.620 165 A CB -0.884 18.136 19.000 0.034 0.000 0.819 165 A HN 0.454 nan 8.150 nan 0.000 0.442 166 L N -0.030 121.167 121.223 -0.042 0.000 2.017 166 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 166 L C 2.275 179.125 176.870 -0.033 0.000 1.073 166 L CA 1.761 56.573 54.840 -0.045 0.000 0.745 166 L CB -0.584 41.435 42.059 -0.067 0.000 0.894 166 L HN 0.405 nan 8.230 nan 0.000 0.432 167 L N -1.213 119.990 121.223 -0.033 0.000 2.046 167 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 167 L C 2.721 179.584 176.870 -0.012 0.000 1.077 167 L CA 1.506 56.331 54.840 -0.025 0.000 0.747 167 L CB -0.839 41.204 42.059 -0.027 0.000 0.896 167 L HN 0.409 nan 8.230 nan 0.000 0.432 168 S N -0.057 115.639 115.700 -0.007 0.000 2.368 168 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 168 S C 2.149 176.750 174.600 0.002 0.000 1.030 168 S CA 1.224 59.425 58.200 0.002 0.000 0.999 168 S CB -0.140 63.065 63.200 0.009 0.000 0.844 168 S HN 0.431 nan 8.310 nan 0.000 0.459 169 A N 0.700 123.518 122.820 -0.003 0.000 2.024 169 A HA -0.036 4.284 4.320 -0.000 0.000 0.220 169 A C 1.975 179.556 177.584 -0.004 0.000 1.164 169 A CA 1.731 53.766 52.037 -0.004 0.000 0.643 169 A CB -0.743 18.250 19.000 -0.012 0.000 0.806 169 A HN 1.116 nan 8.150 nan 0.000 0.451 170 V N -4.582 115.329 119.914 -0.005 0.000 3.271 170 V HA 0.592 4.712 4.120 -0.000 0.000 0.327 170 V C 1.162 177.259 176.094 0.006 0.000 1.389 170 V CA 0.511 62.811 62.300 -0.001 0.000 1.156 170 V CB -0.786 31.035 31.823 -0.003 0.000 1.103 170 V HN 1.410 nan 8.190 nan 0.000 0.453 171 G N 0.982 109.786 108.800 0.007 0.000 2.179 171 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 171 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 171 G C 0.004 174.909 174.900 0.007 0.000 0.977 171 G CA 0.279 45.385 45.100 0.010 0.000 0.641 171 G HN 0.607 nan 8.290 nan 0.000 0.533 172 I N 1.963 122.535 120.570 0.003 0.000 2.452 172 I HA 0.183 4.353 4.170 -0.000 0.000 0.287 172 I C 1.202 177.318 176.117 -0.000 0.000 1.079 172 I CA 0.064 61.364 61.300 -0.000 0.000 1.387 172 I CB 0.762 38.758 38.000 -0.007 0.000 1.404 172 I HN 0.337 nan 8.210 nan 0.000 0.522 173 N N 6.138 124.839 118.700 0.001 0.000 2.171 173 N HA 0.118 4.858 4.740 -0.000 0.000 0.212 173 N C -0.306 175.204 175.510 -0.000 0.000 1.184 173 N CA -0.241 52.810 53.050 0.002 0.000 0.888 173 N CB 0.717 39.207 38.487 0.005 0.000 1.038 173 N HN 0.467 nan 8.380 nan 0.000 0.517 174 K N 0.530 120.928 120.400 -0.004 0.000 2.513 174 K HA 0.452 4.772 4.320 -0.000 0.000 0.251 174 K C -1.861 174.731 176.600 -0.014 0.000 0.939 174 K CA -0.730 55.554 56.287 -0.006 0.000 0.793 174 K CB 3.393 35.890 32.500 -0.005 0.000 1.241 174 K HN -0.082 nan 8.250 nan 0.000 0.431 175 V N 2.628 122.531 119.914 -0.019 0.000 2.789 175 V HA 0.381 4.501 4.120 -0.000 0.000 0.311 175 V C -1.345 174.723 176.094 -0.044 0.000 1.073 175 V CA -0.835 61.445 62.300 -0.032 0.000 0.921 175 V CB 1.835 33.638 31.823 -0.033 0.000 1.009 175 V HN 0.630 nan 8.190 nan 0.000 0.426 176 K N 5.089 125.449 120.400 -0.067 0.000 2.285 176 K HA 0.561 4.881 4.320 -0.000 0.000 0.286 176 K C -0.552 175.961 176.600 -0.145 0.000 1.072 176 K CA -0.233 55.997 56.287 -0.095 0.000 0.913 176 K CB 1.330 33.765 32.500 -0.109 0.000 1.067 176 K HN 0.686 nan 8.250 nan 0.000 0.479 177 V N 0.072 119.914 119.914 -0.120 0.000 3.001 177 V HA 0.538 4.658 4.120 -0.000 0.000 0.314 177 V C -0.429 175.607 176.094 -0.098 0.000 1.099 177 V CA -1.262 60.963 62.300 -0.125 0.000 0.989 177 V CB 0.986 32.798 31.823 -0.019 0.000 1.040 177 V HN 0.395 nan 8.190 nan 0.000 0.434 178 F N 1.623 121.583 119.950 0.017 0.000 2.471 178 F HA 0.513 5.040 4.527 -0.000 0.000 0.353 178 F C 1.330 177.144 175.800 0.023 0.000 1.113 178 F CA -0.066 57.947 58.000 0.020 0.000 1.262 178 F CB 0.395 39.408 39.000 0.023 0.000 1.146 178 F HN 0.491 nan 8.300 nan 0.000 0.578 179 R N 2.149 122.793 120.500 0.241 0.000 2.679 179 R HA 0.183 4.523 4.340 -0.000 0.000 0.269 179 R C -0.221 176.159 176.300 0.132 0.000 1.076 179 R CA -0.599 55.586 56.100 0.141 0.000 1.160 179 R CB 0.502 30.866 30.300 0.106 0.000 1.054 179 R HN 0.525 nan 8.270 nan 0.000 0.507 180 K N 2.934 123.390 120.400 0.094 0.000 2.349 180 K HA 0.150 4.470 4.320 -0.000 0.000 0.288 180 K C -2.265 174.368 176.600 0.055 0.000 1.058 180 K CA -1.538 54.794 56.287 0.075 0.000 0.953 180 K CB 0.616 33.157 32.500 0.069 0.000 0.997 180 K HN 0.244 nan 8.250 nan 0.000 0.477 181 P HA -0.017 nan 4.420 nan 0.000 0.267 181 P C -0.968 176.355 177.300 0.037 0.000 1.209 181 P CA 0.080 63.195 63.100 0.026 0.000 0.763 181 P CB 0.438 32.140 31.700 0.003 0.000 0.816 182 K N 2.179 122.601 120.400 0.037 0.000 2.258 182 K HA 0.377 4.697 4.320 -0.000 0.000 0.284 182 K C -0.626 176.001 176.600 0.045 0.000 1.051 182 K CA -0.608 55.703 56.287 0.040 0.000 0.923 182 K CB 0.853 33.373 32.500 0.034 0.000 1.046 182 K HN 0.177 nan 8.250 nan 0.000 0.474 183 V N 2.738 122.685 119.914 0.055 0.000 2.376 183 V HA 0.302 4.422 4.120 -0.000 0.000 0.287 183 V C -0.209 175.925 176.094 0.067 0.000 1.015 183 V CA -1.034 61.307 62.300 0.068 0.000 0.834 183 V CB 1.365 33.239 31.823 0.086 0.000 1.001 183 V HN 0.873 nan 8.190 nan 0.000 0.428 184 A N 5.334 128.190 122.820 0.060 0.000 2.354 184 A HA 0.701 5.021 4.320 -0.000 0.000 0.281 184 A C -0.315 177.313 177.584 0.073 0.000 1.174 184 A CA -0.230 51.839 52.037 0.053 0.000 0.828 184 A CB 0.537 19.553 19.000 0.027 0.000 1.099 184 A HN 0.676 nan 8.150 nan 0.000 0.516 185 V N 4.449 124.424 119.914 0.102 0.000 2.459 185 V HA 0.483 4.603 4.120 -0.000 0.000 0.295 185 V C -0.110 176.076 176.094 0.152 0.000 1.029 185 V CA -0.222 62.163 62.300 0.143 0.000 0.874 185 V CB 1.357 33.289 31.823 0.181 0.000 0.985 185 V HN 0.763 nan 8.190 nan 0.000 0.438 186 I N 2.681 123.320 120.570 0.114 0.000 2.545 186 I HA 0.471 4.641 4.170 -0.000 0.000 0.292 186 I C -0.174 176.015 176.117 0.119 0.000 1.040 186 I CA -0.227 61.111 61.300 0.062 0.000 1.068 186 I CB 2.431 40.434 38.000 0.004 0.000 1.251 186 I HN 0.503 nan 8.210 nan 0.000 0.424 187 S N 2.844 118.629 115.700 0.141 0.000 2.449 187 S HA 0.580 5.050 4.470 -0.000 0.000 0.310 187 S C -0.263 174.372 174.600 0.058 0.000 1.096 187 S CA -0.630 57.645 58.200 0.125 0.000 1.095 187 S CB 1.516 64.839 63.200 0.205 0.000 1.007 187 S HN 0.707 nan 8.310 nan 0.000 0.474 188 T N -0.294 114.283 114.554 0.038 0.000 2.829 188 T HA 0.881 5.231 4.350 -0.000 0.000 0.280 188 T C -0.126 174.585 174.700 0.018 0.000 0.999 188 T CA -0.859 61.254 62.100 0.021 0.000 0.983 188 T CB 1.521 70.399 68.868 0.017 0.000 0.968 188 T HN 0.940 nan 8.240 nan 0.000 0.446 189 G N 2.023 110.829 108.800 0.011 0.000 2.238 189 G HA2 0.177 4.137 3.960 -0.000 0.000 0.276 189 G HA3 0.177 4.137 3.960 -0.000 0.000 0.276 189 G C 0.005 174.904 174.900 -0.001 0.000 1.744 189 G CA -0.905 44.199 45.100 0.006 0.000 0.912 189 G HN 0.517 nan 8.290 nan 0.000 0.744 190 N N 0.634 119.331 118.700 -0.004 0.000 2.453 190 N HA -0.075 4.665 4.740 -0.000 0.000 0.183 190 N C 1.974 177.473 175.510 -0.018 0.000 1.041 190 N CA 1.268 54.312 53.050 -0.010 0.000 0.900 190 N CB 0.296 38.777 38.487 -0.009 0.000 0.961 190 N HN 0.843 nan 8.380 nan 0.000 0.443 191 E N 0.659 120.848 120.200 -0.019 0.000 2.447 191 E HA 0.009 4.359 4.350 -0.000 0.000 0.195 191 E C 0.454 177.026 176.600 -0.046 0.000 1.028 191 E CA -0.031 56.349 56.400 -0.034 0.000 0.876 191 E CB 0.061 29.743 29.700 -0.030 0.000 0.885 191 E HN 0.259 nan 8.360 nan 0.000 0.500 192 I N 2.511 123.066 120.570 -0.025 0.000 2.428 192 I HA 0.136 4.306 4.170 -0.000 0.000 0.289 192 I C 0.148 176.262 176.117 -0.005 0.000 1.019 192 I CA -0.901 60.390 61.300 -0.015 0.000 1.351 192 I CB 1.538 39.547 38.000 0.016 0.000 1.412 192 I HN -0.090 nan 8.210 nan 0.000 0.513 193 V N 4.026 123.939 119.914 -0.002 0.000 2.962 193 V HA 0.655 4.775 4.120 -0.000 0.000 0.313 193 V C -2.875 173.315 176.094 0.161 0.000 1.099 193 V CA -2.598 59.725 62.300 0.039 0.000 0.971 193 V CB 1.736 33.543 31.823 -0.026 0.000 1.028 193 V HN 0.437 nan 8.190 nan 0.000 0.430 194 P HA 0.339 nan 4.420 nan 0.000 0.271 194 P C -2.630 174.823 177.300 0.254 0.000 1.218 194 P CA -1.105 62.126 63.100 0.218 0.000 0.780 194 P CB 0.015 31.822 31.700 0.178 0.000 0.901 195 P HA -0.026 nan 4.420 nan 0.000 0.269 195 P C 0.824 178.089 177.300 -0.058 0.000 1.217 195 P CA 0.792 63.807 63.100 -0.140 0.000 0.783 195 P CB 0.294 31.851 31.700 -0.239 0.000 0.898 196 G N 0.700 109.417 108.800 -0.138 0.000 2.336 196 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.233 196 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.233 196 G C 0.364 175.302 174.900 0.063 0.000 1.053 196 G CA -0.255 44.826 45.100 -0.032 0.000 0.625 196 G HN 0.626 nan 8.290 nan 0.000 0.511 197 N N 1.460 120.256 118.700 0.160 0.000 2.513 197 N HA 0.367 5.107 4.740 -0.000 0.000 0.274 197 N C 0.040 175.685 175.510 0.224 0.000 1.189 197 N CA -0.101 53.048 53.050 0.165 0.000 0.975 197 N CB 1.120 39.694 38.487 0.146 0.000 1.157 197 N HN 0.646 nan 8.380 nan 0.000 0.465 198 E N 1.377 121.649 120.200 0.121 0.000 2.338 198 E HA 0.123 4.473 4.350 -0.000 0.000 0.272 198 E C -0.492 176.126 176.600 0.030 0.000 1.029 198 E CA -0.383 56.076 56.400 0.098 0.000 0.872 198 E CB 0.628 30.359 29.700 0.051 0.000 1.015 198 E HN 0.349 nan 8.360 nan 0.000 0.417 199 L N 4.499 125.712 121.223 -0.018 0.000 2.349 199 L HA 0.272 4.612 4.340 -0.000 0.000 0.275 199 L C 0.486 177.305 176.870 -0.085 0.000 1.115 199 L CA -0.144 54.602 54.840 -0.157 0.000 0.820 199 L CB 0.906 42.802 42.059 -0.272 0.000 1.135 199 L HN 0.494 nan 8.230 nan 0.000 0.445 200 K N 3.558 123.904 120.400 -0.090 0.000 2.098 200 K HA 0.415 4.735 4.320 -0.000 0.000 0.258 200 K C -2.350 174.211 176.600 -0.064 0.000 0.973 200 K CA -1.776 54.477 56.287 -0.057 0.000 0.898 200 K CB 1.209 33.682 32.500 -0.045 0.000 1.057 200 K HN 0.251 nan 8.250 nan 0.000 0.447 201 P HA -0.043 nan 4.420 nan 0.000 0.265 201 P C 0.409 177.683 177.300 -0.044 0.000 1.193 201 P CA 0.896 63.972 63.100 -0.040 0.000 0.765 201 P CB 0.508 32.193 31.700 -0.025 0.000 0.823 202 G N 1.539 110.310 108.800 -0.047 0.000 2.213 202 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.236 202 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.236 202 G C 0.035 174.898 174.900 -0.061 0.000 0.991 202 G CA -0.344 44.729 45.100 -0.044 0.000 0.629 202 G HN 0.565 nan 8.290 nan 0.000 0.517 203 Q N 0.192 119.936 119.800 -0.092 0.000 2.215 203 Q HA 0.782 5.122 4.340 -0.000 0.000 0.256 203 Q C 0.398 176.287 176.000 -0.186 0.000 0.972 203 Q CA -0.454 55.272 55.803 -0.129 0.000 0.889 203 Q CB 2.144 30.790 28.738 -0.153 0.000 1.281 203 Q HN 0.781 nan 8.270 nan 0.000 0.456 204 I N -3.023 117.430 120.570 -0.195 0.000 3.174 204 I HA 0.513 4.683 4.170 -0.000 0.000 0.313 204 I C -1.310 174.659 176.117 -0.248 0.000 1.155 204 I CA -1.350 59.821 61.300 -0.216 0.000 0.977 204 I CB 1.414 39.362 38.000 -0.088 0.000 1.248 204 I HN 0.427 nan 8.210 nan 0.000 0.453 205 Y N 1.050 121.329 120.300 -0.035 0.000 2.320 205 Y HA 0.328 4.878 4.550 -0.000 0.000 0.324 205 Y C 0.244 176.105 175.900 -0.064 0.000 1.190 205 Y CA 0.000 58.076 58.100 -0.041 0.000 1.215 205 Y CB 0.639 39.071 38.460 -0.048 0.000 1.221 205 Y HN 0.638 nan 8.280 nan 0.000 0.486 206 D N 1.868 122.348 120.400 0.133 0.000 2.443 206 D HA 0.041 4.681 4.640 -0.000 0.000 0.239 206 D C 0.304 176.546 176.300 -0.096 0.000 1.136 206 D CA 0.582 54.589 54.000 0.012 0.000 0.879 206 D CB 0.546 41.368 40.800 0.037 0.000 1.195 206 D HN 0.625 nan 8.370 nan 0.000 0.443 207 I N 2.309 122.767 120.570 -0.186 0.000 4.578 207 I HA 0.051 4.221 4.170 -0.000 0.000 0.312 207 I C 0.987 176.864 176.117 -0.401 0.000 1.224 207 I CA -0.363 60.748 61.300 -0.316 0.000 1.318 207 I CB 0.102 37.869 38.000 -0.389 0.000 1.388 207 I HN 0.301 nan 8.210 nan 0.000 0.461 208 N N 1.661 120.163 118.700 -0.330 0.000 2.270 208 N HA -0.057 4.683 4.740 -0.000 0.000 0.181 208 N C 1.713 177.046 175.510 -0.295 0.000 1.016 208 N CA 1.484 54.347 53.050 -0.310 0.000 0.870 208 N CB -0.506 37.857 38.487 -0.207 0.000 0.979 208 N HN 0.534 nan 8.380 nan 0.000 0.431 209 G N 1.312 109.928 108.800 -0.306 0.000 2.459 209 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.217 209 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.217 209 G C 1.811 176.339 174.900 -0.619 0.000 1.183 209 G CA 0.884 45.706 45.100 -0.463 0.000 0.776 209 G HN 0.253 nan 8.290 nan 0.000 0.552 210 R N 1.010 121.128 120.500 -0.637 0.000 2.081 210 R HA 0.125 4.465 4.340 -0.000 0.000 0.235 210 R C 2.799 178.903 176.300 -0.326 0.000 1.131 210 R CA 1.792 57.612 56.100 -0.466 0.000 0.960 210 R CB -0.851 29.223 30.300 -0.376 0.000 0.856 210 R HN 0.263 nan 8.270 nan 0.000 0.436 211 A N 0.432 123.062 122.820 -0.317 0.000 1.877 211 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 211 A C 2.256 179.656 177.584 -0.307 0.000 1.186 211 A CA 1.579 53.472 52.037 -0.239 0.000 0.620 211 A CB -0.689 18.172 19.000 -0.232 0.000 0.822 211 A HN 0.349 nan 8.150 nan 0.000 0.443 212 L N -0.869 120.132 121.223 -0.369 0.000 1.994 212 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 212 L C 2.816 179.498 176.870 -0.313 0.000 1.071 212 L CA 1.489 56.048 54.840 -0.469 0.000 0.745 212 L CB -0.744 41.097 42.059 -0.363 0.000 0.892 212 L HN 0.498 nan 8.230 nan 0.000 0.431 213 C N -0.089 119.082 119.300 -0.216 0.000 2.413 213 C HA -0.193 4.267 4.460 -0.000 0.000 0.276 213 C C 2.406 177.325 174.990 -0.117 0.000 1.248 213 C CA 0.839 59.783 59.018 -0.123 0.000 1.742 213 C CB -0.831 26.845 27.740 -0.107 0.000 2.017 213 C HN 0.554 nan 8.230 nan 0.000 0.481 214 D N 0.441 120.742 120.400 -0.164 0.000 2.194 214 D HA 0.012 4.652 4.640 -0.000 0.000 0.204 214 D C 2.237 178.435 176.300 -0.171 0.000 0.964 214 D CA 1.316 55.223 54.000 -0.155 0.000 0.846 214 D CB -0.423 40.268 40.800 -0.182 0.000 0.962 214 D HN 0.497 nan 8.370 nan 0.000 0.490 215 A N 0.703 123.405 122.820 -0.196 0.000 1.898 215 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 215 A C 2.307 179.893 177.584 0.004 0.000 1.181 215 A CA 0.690 52.642 52.037 -0.142 0.000 0.620 215 A CB -0.592 18.276 19.000 -0.220 0.000 0.819 215 A HN 0.165 nan 8.150 nan 0.000 0.442 216 I N 0.105 120.682 120.570 0.011 0.000 2.226 216 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 216 I C 2.099 178.255 176.117 0.066 0.000 1.100 216 I CA 1.166 62.529 61.300 0.106 0.000 1.374 216 I CB -0.477 37.573 38.000 0.083 0.000 1.057 216 I HN 0.299 nan 8.210 nan 0.000 0.413 217 N N 0.866 119.581 118.700 0.025 0.000 2.120 217 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 217 N C 1.726 177.284 175.510 0.080 0.000 1.024 217 N CA 1.322 54.399 53.050 0.045 0.000 0.852 217 N CB -0.280 38.222 38.487 0.024 0.000 1.003 217 N HN 0.441 nan 8.380 nan 0.000 0.424 218 E N 0.242 120.469 120.200 0.045 0.000 2.110 218 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 218 E C 1.706 178.404 176.600 0.164 0.000 0.988 218 E CA 0.841 57.310 56.400 0.115 0.000 0.804 218 E CB -0.114 29.523 29.700 -0.105 0.000 0.745 218 E HN 0.347 nan 8.360 nan 0.000 0.458 219 L N -3.045 118.248 121.223 0.116 0.000 2.552 219 L HA 0.326 4.666 4.340 -0.000 0.000 0.227 219 L C 1.355 178.282 176.870 0.096 0.000 1.146 219 L CA 1.340 56.247 54.840 0.112 0.000 0.858 219 L CB 0.234 42.350 42.059 0.095 0.000 0.969 219 L HN 0.106 nan 8.230 nan 0.000 0.451 220 G N -2.040 106.820 108.800 0.099 0.000 2.227 220 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.168 220 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.168 220 G C 0.433 175.378 174.900 0.074 0.000 1.006 220 G CA -0.350 44.803 45.100 0.089 0.000 0.684 220 G HN 0.830 nan 8.290 nan 0.000 0.489 221 G N -0.585 108.257 108.800 0.069 0.000 2.568 221 G HA2 0.608 4.568 3.960 -0.000 0.000 0.293 221 G HA3 0.608 4.568 3.960 -0.000 0.000 0.293 221 G C -0.595 174.341 174.900 0.061 0.000 1.347 221 G CA 0.088 45.224 45.100 0.060 0.000 1.039 221 G HN 0.359 nan 8.290 nan 0.000 0.523 222 E N -0.373 119.860 120.200 0.055 0.000 2.186 222 E HA 0.459 4.809 4.350 -0.000 0.000 0.255 222 E C -0.084 176.546 176.600 0.049 0.000 0.881 222 E CA -0.727 55.704 56.400 0.051 0.000 0.752 222 E CB 0.773 30.502 29.700 0.049 0.000 1.176 222 E HN 0.553 nan 8.360 nan 0.000 0.421 223 G N 5.089 113.914 108.800 0.042 0.000 2.349 223 G HA2 0.405 4.365 3.960 -0.000 0.000 0.281 223 G HA3 0.405 4.365 3.960 -0.000 0.000 0.281 223 G C -0.183 174.751 174.900 0.057 0.000 1.182 223 G CA -0.371 44.754 45.100 0.041 0.000 0.899 223 G HN 0.554 nan 8.290 nan 0.000 0.455 224 I N 2.806 123.421 120.570 0.076 0.000 2.382 224 I HA 0.182 4.352 4.170 -0.000 0.000 0.285 224 I C -0.726 175.481 176.117 0.150 0.000 1.007 224 I CA -0.802 60.553 61.300 0.090 0.000 1.142 224 I CB 1.656 39.689 38.000 0.056 0.000 1.289 224 I HN 0.343 nan 8.210 nan 0.000 0.453 225 F N 7.776 127.715 119.950 -0.019 0.000 2.466 225 F HA 0.232 4.759 4.527 0.000 0.000 0.363 225 F C 1.136 176.926 175.800 -0.017 0.000 1.109 225 F CA -0.583 57.402 58.000 -0.024 0.000 1.161 225 F CB 0.817 39.798 39.000 -0.032 0.000 1.117 225 F HN 0.459 nan 8.300 nan 0.000 0.539 226 M N 3.955 123.373 119.600 -0.303 0.000 2.492 226 M HA 0.199 4.679 4.480 -0.000 0.000 0.262 226 M C 1.153 177.099 176.300 -0.590 0.000 1.090 226 M CA 0.978 56.075 55.300 -0.338 0.000 1.110 226 M CB -1.587 30.903 32.600 -0.184 0.000 1.407 226 M HN 0.756 nan 8.290 nan 0.000 0.470 227 G N -0.342 107.685 108.800 -1.288 0.000 2.409 227 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.421 227 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.421 227 G C -1.202 173.348 174.900 -0.583 0.000 1.259 227 G CA -0.824 43.628 45.100 -1.081 0.000 1.011 227 G HN 0.066 nan 8.290 nan 0.000 0.497 228 V N 0.880 120.650 119.914 -0.241 0.000 2.427 228 V HA 0.716 4.836 4.120 -0.000 0.000 0.286 228 V C 0.897 176.953 176.094 -0.063 0.000 1.034 228 V CA 0.218 62.479 62.300 -0.064 0.000 0.893 228 V CB 1.039 32.873 31.823 0.018 0.000 0.982 228 V HN 1.929 nan 8.190 nan 0.000 0.452 229 A N 5.807 128.604 122.820 -0.038 0.000 2.304 229 A HA 0.730 5.050 4.320 -0.000 0.000 0.323 229 A C 0.115 177.689 177.584 -0.017 0.000 1.195 229 A CA -0.798 51.219 52.037 -0.033 0.000 0.826 229 A CB 0.765 19.746 19.000 -0.032 0.000 1.184 229 A HN 0.712 nan 8.150 nan 0.000 0.496 230 R N 1.050 121.540 120.500 -0.018 0.000 2.738 230 R HA 0.036 4.376 4.340 -0.000 0.000 0.268 230 R C -0.619 175.676 176.300 -0.008 0.000 1.062 230 R CA -0.103 55.990 56.100 -0.012 0.000 1.158 230 R CB 0.412 30.703 30.300 -0.014 0.000 1.046 230 R HN 0.818 nan 8.270 nan 0.000 0.493 231 D N 1.424 121.821 120.400 -0.005 0.000 2.801 231 D HA 0.033 4.673 4.640 -0.000 0.000 0.232 231 D C -0.904 175.395 176.300 -0.003 0.000 1.128 231 D CA -0.054 53.945 54.000 -0.001 0.000 1.003 231 D CB -0.365 40.437 40.800 0.003 0.000 1.110 231 D HN 0.406 nan 8.370 nan 0.000 0.477 232 D N -2.064 118.332 120.400 -0.006 0.000 2.583 232 D HA 0.166 4.806 4.640 -0.000 0.000 0.248 232 D C 0.866 177.161 176.300 -0.009 0.000 1.209 232 D CA -0.955 53.042 54.000 -0.006 0.000 0.848 232 D CB 1.156 41.952 40.800 -0.007 0.000 1.431 232 D HN -0.130 nan 8.370 nan 0.000 0.436 233 K N 0.379 120.774 120.400 -0.009 0.000 1.987 233 K HA -0.308 4.012 4.320 -0.000 0.000 0.216 233 K C 1.700 178.292 176.600 -0.014 0.000 1.051 233 K CA 2.373 58.653 56.287 -0.011 0.000 0.942 233 K CB -0.222 32.272 32.500 -0.010 0.000 0.722 233 K HN 0.693 nan 8.250 nan 0.000 0.444 234 E N 0.068 120.260 120.200 -0.013 0.000 2.033 234 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 234 E C 2.114 178.702 176.600 -0.019 0.000 1.011 234 E CA 1.847 58.238 56.400 -0.015 0.000 0.815 234 E CB -0.608 29.084 29.700 -0.014 0.000 0.755 234 E HN 0.248 nan 8.360 nan 0.000 0.451 235 S N 0.288 115.976 115.700 -0.019 0.000 2.353 235 S HA -0.176 4.294 4.470 -0.000 0.000 0.222 235 S C 1.967 176.551 174.600 -0.026 0.000 1.035 235 S CA 1.341 59.527 58.200 -0.023 0.000 1.025 235 S CB -0.387 62.800 63.200 -0.022 0.000 0.902 235 S HN 0.353 nan 8.310 nan 0.000 0.440 236 L N 1.914 123.124 121.223 -0.022 0.000 2.056 236 L HA 0.064 4.404 4.340 -0.000 0.000 0.207 236 L C 2.365 179.220 176.870 -0.025 0.000 1.078 236 L CA 2.087 56.914 54.840 -0.023 0.000 0.749 236 L CB -0.843 41.206 42.059 -0.017 0.000 0.901 236 L HN 0.290 nan 8.230 nan 0.000 0.433 237 K N -0.847 119.539 120.400 -0.024 0.000 2.057 237 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 237 K C 1.980 178.564 176.600 -0.027 0.000 1.049 237 K CA 1.334 57.606 56.287 -0.025 0.000 0.931 237 K CB -0.204 32.282 32.500 -0.022 0.000 0.714 237 K HN 0.432 nan 8.250 nan 0.000 0.440 238 A N 1.052 123.856 122.820 -0.027 0.000 1.902 238 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 238 A C 2.003 179.566 177.584 -0.035 0.000 1.181 238 A CA 1.209 53.228 52.037 -0.029 0.000 0.623 238 A CB -0.510 18.473 19.000 -0.029 0.000 0.818 238 A HN 0.346 nan 8.150 nan 0.000 0.443 239 L N -0.190 121.009 121.223 -0.041 0.000 2.109 239 L HA 0.024 4.364 4.340 -0.000 0.000 0.207 239 L C 2.221 179.064 176.870 -0.044 0.000 1.086 239 L CA 1.376 56.185 54.840 -0.051 0.000 0.760 239 L CB -0.409 41.612 42.059 -0.063 0.000 0.910 239 L HN 0.426 nan 8.230 nan 0.000 0.437 240 I N -0.789 119.760 120.570 -0.035 0.000 2.286 240 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 240 I C 2.284 178.383 176.117 -0.030 0.000 1.115 240 I CA 1.169 62.451 61.300 -0.030 0.000 1.392 240 I CB -0.254 37.729 38.000 -0.028 0.000 1.065 240 I HN 0.355 nan 8.210 nan 0.000 0.418 241 E N 0.888 121.069 120.200 -0.030 0.000 2.077 241 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 241 E C 2.161 178.745 176.600 -0.027 0.000 0.989 241 E CA 1.162 57.545 56.400 -0.028 0.000 0.800 241 E CB 0.054 29.738 29.700 -0.026 0.000 0.746 241 E HN 0.448 nan 8.360 nan 0.000 0.452 242 K N 0.316 120.697 120.400 -0.031 0.000 2.057 242 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 242 K C 2.201 178.785 176.600 -0.028 0.000 1.050 242 K CA 0.918 57.187 56.287 -0.031 0.000 0.935 242 K CB -0.080 32.396 32.500 -0.039 0.000 0.715 242 K HN 0.030 nan 8.250 nan 0.000 0.439 243 A N 1.272 124.074 122.820 -0.030 0.000 1.877 243 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 243 A C 2.374 179.950 177.584 -0.014 0.000 1.186 243 A CA 1.474 53.498 52.037 -0.020 0.000 0.620 243 A CB -0.778 18.212 19.000 -0.017 0.000 0.822 243 A HN 0.071 nan 8.150 nan 0.000 0.443 244 V N 0.581 120.483 119.914 -0.020 0.000 2.469 244 V HA -0.260 3.860 4.120 -0.000 0.000 0.251 244 V C 2.156 178.238 176.094 -0.020 0.000 1.064 244 V CA 2.316 64.602 62.300 -0.024 0.000 1.066 244 V CB -1.065 30.739 31.823 -0.032 0.000 0.667 244 V HN 0.601 nan 8.190 nan 0.000 0.461 245 N N -0.119 118.571 118.700 -0.017 0.000 2.376 245 N HA -0.083 4.657 4.740 -0.000 0.000 0.177 245 N C 1.597 177.102 175.510 -0.007 0.000 1.024 245 N CA 1.333 54.375 53.050 -0.013 0.000 0.893 245 N CB 0.088 38.567 38.487 -0.014 0.000 0.980 245 N HN 0.526 nan 8.380 nan 0.000 0.439 246 V N -3.561 116.349 119.914 -0.006 0.000 3.174 246 V HA 0.436 4.556 4.120 -0.000 0.000 0.254 246 V C 1.002 177.101 176.094 0.008 0.000 1.120 246 V CA 0.628 62.928 62.300 0.001 0.000 1.114 246 V CB -0.344 31.479 31.823 -0.000 0.000 0.756 246 V HN 0.062 nan 8.190 nan 0.000 0.467 247 G N -0.607 108.198 108.800 0.007 0.000 2.597 247 G HA2 0.489 4.449 3.960 -0.000 0.000 0.317 247 G HA3 0.489 4.449 3.960 -0.000 0.000 0.317 247 G C -0.371 174.534 174.900 0.008 0.000 1.230 247 G CA 0.106 45.215 45.100 0.015 0.000 0.996 247 G HN 0.106 nan 8.290 nan 0.000 0.490 248 D N -1.318 119.091 120.400 0.015 0.000 2.355 248 D HA 0.115 4.755 4.640 -0.000 0.000 0.206 248 D C 0.445 176.745 176.300 0.001 0.000 1.010 248 D CA 0.748 54.751 54.000 0.005 0.000 0.875 248 D CB 1.264 42.072 40.800 0.013 0.000 0.966 248 D HN 0.056 nan 8.370 nan 0.000 0.512 249 V N 0.864 120.795 119.914 0.027 0.000 2.971 249 V HA 0.318 4.438 4.120 -0.000 0.000 0.309 249 V C -0.517 175.623 176.094 0.076 0.000 1.130 249 V CA -0.878 61.456 62.300 0.058 0.000 0.964 249 V CB 3.173 35.066 31.823 0.117 0.000 1.029 249 V HN -0.291 nan 8.190 nan 0.000 0.427 250 V N 3.884 123.853 119.914 0.092 0.000 2.495 250 V HA 0.650 4.770 4.120 -0.000 0.000 0.298 250 V C -0.614 175.584 176.094 0.174 0.000 1.031 250 V CA -0.582 61.773 62.300 0.091 0.000 0.871 250 V CB 2.031 33.875 31.823 0.034 0.000 0.988 250 V HN 0.600 nan 8.190 nan 0.000 0.432 251 V N 6.239 126.246 119.914 0.154 0.000 2.531 251 V HA 0.574 4.694 4.120 -0.000 0.000 0.301 251 V C -0.474 175.693 176.094 0.123 0.000 1.034 251 V CA -0.385 62.025 62.300 0.183 0.000 0.865 251 V CB 1.878 33.793 31.823 0.154 0.000 0.995 251 V HN 0.704 nan 8.190 nan 0.000 0.424 252 I N 4.029 124.674 120.570 0.124 0.000 2.509 252 I HA 0.660 4.830 4.170 -0.000 0.000 0.293 252 I C -0.061 176.103 176.117 0.078 0.000 1.020 252 I CA -0.326 61.024 61.300 0.084 0.000 1.088 252 I CB 2.351 40.388 38.000 0.062 0.000 1.267 252 I HN 0.698 nan 8.210 nan 0.000 0.430 253 S N 2.904 118.637 115.700 0.056 0.000 2.526 253 S HA 0.891 5.361 4.470 -0.000 0.000 0.293 253 S C 0.068 174.689 174.600 0.035 0.000 1.092 253 S CA -0.059 58.164 58.200 0.040 0.000 0.980 253 S CB 2.105 65.307 63.200 0.004 0.000 1.048 253 S HN 1.058 nan 8.310 nan 0.000 0.483 254 G N 0.896 109.719 108.800 0.037 0.000 4.362 254 G HA2 0.256 4.216 3.960 -0.000 0.000 0.220 254 G HA3 0.256 4.216 3.960 -0.000 0.000 0.220 254 G C 0.568 175.493 174.900 0.042 0.000 0.795 254 G CA 0.276 45.396 45.100 0.034 0.000 0.920 254 G HN 1.146 nan 8.290 nan 0.000 0.715 255 G N 0.914 109.745 108.800 0.053 0.000 2.630 255 G HA2 0.582 4.542 3.960 -0.000 0.000 0.195 255 G HA3 0.582 4.542 3.960 -0.000 0.000 0.195 255 G C 0.686 175.622 174.900 0.061 0.000 1.493 255 G CA 1.737 46.872 45.100 0.058 0.000 0.890 255 G HN 1.599 nan 8.290 nan 0.000 0.475 263 L N 1.309 122.547 121.223 0.025 0.000 2.027 263 L HA -0.038 4.302 4.340 -0.000 0.000 0.206 263 L C 2.567 179.429 176.870 -0.014 0.000 1.074 263 L CA 3.138 57.981 54.840 0.005 0.000 0.745 263 L CB -1.043 41.020 42.059 0.007 0.000 0.898 263 L HN 0.178 nan 8.230 nan 0.000 0.433 264 T N -2.792 111.752 114.554 -0.015 0.000 2.788 264 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 264 T C 1.921 176.576 174.700 -0.074 0.000 1.044 264 T CA 1.117 63.197 62.100 -0.032 0.000 1.139 264 T CB -0.949 67.910 68.868 -0.016 0.000 0.867 264 T HN 0.368 nan 8.240 nan 0.000 0.454 265 A N 2.266 125.012 122.820 -0.123 0.000 1.902 265 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 265 A C 2.787 180.278 177.584 -0.155 0.000 1.181 265 A CA 2.416 54.301 52.037 -0.253 0.000 0.623 265 A CB -1.180 17.470 19.000 -0.582 0.000 0.818 265 A HN 0.794 nan 8.150 nan 0.000 0.443 266 S N -0.546 115.104 115.700 -0.083 0.000 2.402 266 S HA -0.090 4.380 4.470 -0.000 0.000 0.229 266 S C 1.732 176.306 174.600 -0.042 0.000 1.021 266 S CA 1.341 59.514 58.200 -0.045 0.000 0.974 266 S CB -0.776 62.414 63.200 -0.016 0.000 0.800 266 S HN 0.236 nan 8.310 nan 0.000 0.484 267 V N 2.088 121.976 119.914 -0.044 0.000 2.358 267 V HA -0.053 4.067 4.120 -0.000 0.000 0.246 267 V C 2.455 178.521 176.094 -0.046 0.000 1.047 267 V CA 1.676 63.954 62.300 -0.038 0.000 1.035 267 V CB -0.699 31.105 31.823 -0.032 0.000 0.658 267 V HN 0.493 nan 8.190 nan 0.000 0.452 268 I N 0.083 120.616 120.570 -0.062 0.000 2.315 268 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 268 I C 2.591 178.670 176.117 -0.063 0.000 1.117 268 I CA 1.523 62.782 61.300 -0.068 0.000 1.404 268 I CB -0.305 37.642 38.000 -0.089 0.000 1.071 268 I HN 0.335 nan 8.210 nan 0.000 0.419 269 E N 1.643 121.804 120.200 -0.065 0.000 2.110 269 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 269 E C 1.927 178.507 176.600 -0.033 0.000 0.988 269 E CA 1.723 58.095 56.400 -0.048 0.000 0.804 269 E CB -0.082 29.592 29.700 -0.044 0.000 0.745 269 E HN 0.666 nan 8.360 nan 0.000 0.458 270 E N -0.556 119.625 120.200 -0.031 0.000 2.385 270 E HA -0.047 4.303 4.350 -0.000 0.000 0.194 270 E C 1.871 178.456 176.600 -0.025 0.000 1.013 270 E CA 0.392 56.777 56.400 -0.024 0.000 0.866 270 E CB -0.101 29.586 29.700 -0.020 0.000 0.832 270 E HN 0.306 nan 8.360 nan 0.000 0.500 271 L N 0.111 121.315 121.223 -0.032 0.000 2.463 271 L HA 0.314 4.654 4.340 -0.000 0.000 0.219 271 L C 1.307 178.155 176.870 -0.036 0.000 1.088 271 L CA 0.568 55.389 54.840 -0.033 0.000 0.849 271 L CB 0.553 42.590 42.059 -0.037 0.000 1.012 271 L HN 0.325 nan 8.230 nan 0.000 0.468 272 G N -0.814 107.962 108.800 -0.039 0.000 3.206 272 G HA2 0.194 4.154 3.960 -0.000 0.000 0.146 272 G HA3 0.194 4.154 3.960 -0.000 0.000 0.146 272 G C -1.431 173.448 174.900 -0.035 0.000 1.214 272 G CA -0.210 44.866 45.100 -0.040 0.000 1.297 272 G HN -0.016 nan 8.290 nan 0.000 0.659 273 E N -0.646 119.531 120.200 -0.039 0.000 2.314 273 E HA 0.568 4.918 4.350 -0.000 0.000 0.272 273 E C -1.674 174.906 176.600 -0.034 0.000 0.884 273 E CA -0.645 55.739 56.400 -0.026 0.000 0.753 273 E CB 2.743 32.439 29.700 -0.008 0.000 1.213 273 E HN 0.208 nan 8.360 nan 0.000 0.432 274 V N 5.877 125.774 119.914 -0.028 0.000 2.311 274 V HA 0.170 4.290 4.120 -0.000 0.000 0.275 274 V C 0.910 177.008 176.094 0.007 0.000 1.022 274 V CA -0.529 61.751 62.300 -0.033 0.000 0.830 274 V CB 1.049 32.831 31.823 -0.067 0.000 1.012 274 V HN 0.685 nan 8.190 nan 0.000 0.452 275 K N 3.076 123.490 120.400 0.025 0.000 2.031 275 K HA 0.107 4.427 4.320 -0.000 0.000 0.205 275 K C 0.380 177.002 176.600 0.038 0.000 1.049 275 K CA 1.046 57.357 56.287 0.040 0.000 0.939 275 K CB 0.309 32.852 32.500 0.072 0.000 0.717 275 K HN 0.456 nan 8.250 nan 0.000 0.438 276 V N 0.879 120.819 119.914 0.043 0.000 2.604 276 V HA 0.219 4.339 4.120 -0.000 0.000 0.305 276 V C -0.849 175.320 176.094 0.125 0.000 1.043 276 V CA -0.831 61.511 62.300 0.070 0.000 0.888 276 V CB 1.842 33.700 31.823 0.059 0.000 0.995 276 V HN 0.316 nan 8.190 nan 0.000 0.429 277 H N 2.847 121.926 119.070 0.017 0.000 2.808 277 H HA 0.554 5.110 4.556 -0.000 0.000 0.268 277 H C 0.057 175.398 175.328 0.022 0.000 1.306 277 H CA 0.234 56.293 56.048 0.019 0.000 1.565 277 H CB 0.845 30.614 29.762 0.013 0.000 1.632 277 H HN 1.119 nan 8.280 nan 0.000 0.525 278 G N 3.672 112.567 108.800 0.160 0.000 3.069 278 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.686 278 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.686 278 G C -1.408 173.523 174.900 0.052 0.000 1.161 278 G CA -0.550 44.580 45.100 0.051 0.000 0.804 278 G HN 0.513 nan 8.290 nan 0.000 0.608 279 I N 1.219 121.820 120.570 0.051 0.000 2.582 279 I HA 0.602 4.772 4.170 -0.000 0.000 0.292 279 I C 0.932 177.080 176.117 0.051 0.000 1.066 279 I CA -1.030 60.302 61.300 0.053 0.000 1.053 279 I CB 2.324 40.360 38.000 0.060 0.000 1.241 279 I HN 0.968 nan 8.210 nan 0.000 0.421 280 A N 7.928 130.778 122.820 0.051 0.000 3.046 280 A HA 0.439 4.759 4.320 -0.000 0.000 0.259 280 A C 0.103 177.735 177.584 0.080 0.000 1.843 280 A CA 0.252 52.319 52.037 0.051 0.000 1.451 280 A CB -1.203 17.820 19.000 0.039 0.000 1.025 280 A HN 0.629 nan 8.150 nan 0.000 0.625 281 I N -3.272 117.356 120.570 0.097 0.000 3.195 281 I HA 0.773 4.943 4.170 -0.000 0.000 0.313 281 I C -1.172 175.024 176.117 0.132 0.000 1.237 281 I CA -1.384 60.012 61.300 0.159 0.000 0.963 281 I CB 2.196 40.352 38.000 0.260 0.000 1.278 281 I HN 0.072 nan 8.210 nan 0.000 0.460 282 Q N 3.998 123.904 119.800 0.176 0.000 2.275 282 Q HA 0.629 4.969 4.340 -0.000 0.000 0.266 282 Q C -2.973 173.139 176.000 0.187 0.000 1.002 282 Q CA -1.698 54.184 55.803 0.131 0.000 0.761 282 Q CB 2.608 31.395 28.738 0.082 0.000 1.255 282 Q HN 0.516 nan 8.270 nan 0.000 0.446 283 P HA 0.499 nan 4.420 nan 0.000 0.297 283 P C -0.010 177.328 177.300 0.062 0.000 1.307 283 P CA 0.367 63.518 63.100 0.086 0.000 0.773 283 P CB 1.006 32.761 31.700 0.092 0.000 1.265 284 G N -0.749 108.084 108.800 0.056 0.000 2.148 284 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.203 284 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.203 284 G C 1.015 175.949 174.900 0.057 0.000 0.993 284 G CA 0.453 45.582 45.100 0.049 0.000 0.661 284 G HN 0.673 nan 8.290 nan 0.000 0.518 285 K N 1.092 121.524 120.400 0.054 0.000 2.059 285 K HA -0.099 4.221 4.320 -0.000 0.000 0.212 285 K C -0.051 176.579 176.600 0.050 0.000 1.050 285 K CA 1.875 58.190 56.287 0.046 0.000 0.927 285 K CB -0.292 32.227 32.500 0.032 0.000 0.714 285 K HN 0.437 nan 8.250 nan 0.000 0.447 286 P HA 0.036 nan 4.420 nan 0.000 0.249 286 P C -0.671 176.713 177.300 0.140 0.000 1.229 286 P CA 0.305 63.461 63.100 0.093 0.000 0.788 286 P CB -0.057 31.694 31.700 0.084 0.000 1.072 287 T N 2.112 116.735 114.554 0.115 0.000 2.923 287 T HA 0.061 4.411 4.350 -0.000 0.000 0.304 287 T C 0.724 175.512 174.700 0.147 0.000 1.044 287 T CA 0.918 63.094 62.100 0.126 0.000 1.141 287 T CB 0.147 69.083 68.868 0.113 0.000 1.023 287 T HN 0.013 nan 8.240 nan 0.000 0.533 288 I N 3.378 124.022 120.570 0.124 0.000 2.493 288 I HA 0.549 4.719 4.170 -0.000 0.000 0.298 288 I C -0.156 175.983 176.117 0.036 0.000 0.998 288 I CA -0.882 60.458 61.300 0.066 0.000 1.137 288 I CB 1.726 39.712 38.000 -0.023 0.000 1.310 288 I HN 0.460 nan 8.210 nan 0.000 0.445 289 I N 4.022 124.579 120.570 -0.022 0.000 2.500 289 I HA 0.591 4.761 4.170 -0.000 0.000 0.286 289 I C 0.013 176.069 176.117 -0.103 0.000 1.063 289 I CA -0.201 61.014 61.300 -0.142 0.000 1.062 289 I CB 1.922 39.883 38.000 -0.065 0.000 1.223 289 I HN 0.732 nan 8.210 nan 0.000 0.435 290 G N 4.640 113.326 108.800 -0.189 0.000 2.975 290 G HA2 0.819 4.779 3.960 -0.000 0.000 0.291 290 G HA3 0.819 4.779 3.960 -0.000 0.000 0.291 290 G C -1.664 173.104 174.900 -0.221 0.000 1.334 290 G CA -0.585 44.440 45.100 -0.124 0.000 0.843 290 G HN 0.262 nan 8.290 nan 0.000 0.548 291 V N 0.410 120.226 119.914 -0.163 0.000 2.668 291 V HA 0.512 4.632 4.120 -0.000 0.000 0.304 291 V C -0.867 175.148 176.094 -0.131 0.000 1.071 291 V CA -0.391 61.782 62.300 -0.211 0.000 0.894 291 V CB 1.651 33.373 31.823 -0.169 0.000 1.008 291 V HN 0.615 nan 8.190 nan 0.000 0.425 292 I N 3.976 124.467 120.570 -0.132 0.000 2.447 292 I HA 0.447 4.617 4.170 -0.000 0.000 0.287 292 I C 0.159 176.230 176.117 -0.077 0.000 1.023 292 I CA -0.845 60.403 61.300 -0.087 0.000 1.083 292 I CB 1.927 39.881 38.000 -0.076 0.000 1.245 292 I HN 0.658 nan 8.210 nan 0.000 0.434 293 K N 4.563 124.929 120.400 -0.056 0.000 3.156 293 K HA -0.237 4.083 4.320 -0.000 0.000 0.266 293 K C 0.951 177.519 176.600 -0.053 0.000 0.966 293 K CA 0.641 56.901 56.287 -0.045 0.000 0.719 293 K CB -1.391 31.087 32.500 -0.037 0.000 1.333 293 K HN 1.228 nan 8.250 nan 0.000 0.468 294 G N -0.096 108.666 108.800 -0.064 0.000 2.196 294 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.268 294 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.268 294 G C -0.094 174.734 174.900 -0.121 0.000 0.975 294 G CA 1.117 46.173 45.100 -0.072 0.000 0.648 294 G HN 0.415 nan 8.290 nan 0.000 0.538 295 K N 1.056 121.372 120.400 -0.141 0.000 2.213 295 K HA 0.472 4.792 4.320 -0.000 0.000 0.270 295 K C -2.702 173.723 176.600 -0.292 0.000 1.002 295 K CA -2.143 54.041 56.287 -0.173 0.000 0.868 295 K CB 1.933 34.373 32.500 -0.099 0.000 1.093 295 K HN -0.023 nan 8.250 nan 0.000 0.454 296 P HA 0.007 nan 4.420 nan 0.000 0.268 296 P C -0.972 176.117 177.300 -0.351 0.000 1.205 296 P CA -0.204 62.495 63.100 -0.668 0.000 0.771 296 P CB 0.644 31.948 31.700 -0.661 0.000 0.858 297 V N 4.229 123.878 119.914 -0.441 0.000 2.638 297 V HA 0.472 4.592 4.120 -0.000 0.000 0.306 297 V C -0.561 175.333 176.094 -0.335 0.000 1.052 297 V CA -0.365 61.806 62.300 -0.215 0.000 0.885 297 V CB 1.378 33.111 31.823 -0.149 0.000 0.999 297 V HN 0.345 nan 8.190 nan 0.000 0.424 298 F N 1.637 121.594 119.950 0.012 0.000 2.520 298 F HA 0.774 5.301 4.527 0.000 0.000 0.322 298 F C 0.723 176.545 175.800 0.036 0.000 1.103 298 F CA -0.604 57.422 58.000 0.044 0.000 0.926 298 F CB 2.381 41.424 39.000 0.072 0.000 1.154 298 F HN 0.573 nan 8.300 nan 0.000 0.453 299 G N 4.565 113.486 108.800 0.202 0.000 2.588 299 G HA2 0.643 4.603 3.960 -0.000 0.000 0.312 299 G HA3 0.643 4.603 3.960 -0.000 0.000 0.312 299 G C -1.095 173.891 174.900 0.145 0.000 1.257 299 G CA -0.435 44.742 45.100 0.128 0.000 0.994 299 G HN 0.509 nan 8.290 nan 0.000 0.498 300 L N 2.543 123.845 121.223 0.132 0.000 2.332 300 L HA 0.507 4.847 4.340 -0.000 0.000 0.269 300 L C -2.146 174.773 176.870 0.082 0.000 1.016 300 L CA -2.447 52.459 54.840 0.111 0.000 0.809 300 L CB 2.252 44.373 42.059 0.104 0.000 1.280 300 L HN 0.229 nan 8.230 nan 0.000 0.447 301 P HA 0.016 nan 4.420 nan 0.000 0.269 301 P C 0.377 177.719 177.300 0.071 0.000 1.215 301 P CA 0.072 63.221 63.100 0.082 0.000 0.780 301 P CB 0.655 32.414 31.700 0.098 0.000 0.898 302 G N 0.701 109.548 108.800 0.079 0.000 2.551 302 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.216 302 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.216 302 G C -0.022 174.920 174.900 0.070 0.000 1.137 302 G CA 0.345 45.478 45.100 0.055 0.000 0.798 302 G HN 0.454 nan 8.290 nan 0.000 0.536 303 Y N 2.491 122.786 120.300 -0.008 0.000 2.605 303 Y HA 0.228 4.778 4.550 -0.000 0.000 0.336 303 Y C -1.033 174.860 175.900 -0.011 0.000 1.111 303 Y CA -2.460 55.637 58.100 -0.005 0.000 1.422 303 Y CB 1.172 39.643 38.460 0.018 0.000 1.193 303 Y HN -0.006 nan 8.280 nan 0.000 0.526 304 P HA -0.313 nan 4.420 nan 0.000 0.216 304 P C 1.607 178.820 177.300 -0.144 0.000 1.167 304 P CA 3.568 66.459 63.100 -0.348 0.000 0.933 304 P CB -0.041 31.381 31.700 -0.463 0.000 0.793 305 T N -4.604 109.839 114.554 -0.185 0.000 2.915 305 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 305 T C 1.844 176.602 174.700 0.097 0.000 1.071 305 T CA 1.614 63.724 62.100 0.018 0.000 1.132 305 T CB -1.107 67.838 68.868 0.128 0.000 0.878 305 T HN -0.005 nan 8.240 nan 0.000 0.479 306 S N 0.267 116.068 115.700 0.169 0.000 2.395 306 S HA -0.022 4.448 4.470 -0.000 0.000 0.225 306 S C 2.348 176.994 174.600 0.077 0.000 1.027 306 S CA 0.674 58.975 58.200 0.168 0.000 0.965 306 S CB -0.766 62.580 63.200 0.244 0.000 0.812 306 S HN 0.760 nan 8.310 nan 0.000 0.482 307 C N 1.635 120.960 119.300 0.042 0.000 2.446 307 C HA 0.036 4.496 4.460 -0.000 0.000 0.277 307 C C 2.441 177.438 174.990 0.012 0.000 1.275 307 C CA 0.688 59.714 59.018 0.013 0.000 1.727 307 C CB -1.307 26.405 27.740 -0.046 0.000 2.010 307 C HN 0.515 nan 8.230 nan 0.000 0.486 308 L N 1.058 122.250 121.223 -0.051 0.000 2.046 308 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 308 L C 2.604 179.465 176.870 -0.015 0.000 1.077 308 L CA 2.707 57.461 54.840 -0.145 0.000 0.747 308 L CB -1.318 40.465 42.059 -0.461 0.000 0.896 308 L HN 0.353 nan 8.230 nan 0.000 0.432 309 T N -0.061 114.522 114.554 0.047 0.000 2.708 309 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 309 T C 1.674 176.361 174.700 -0.022 0.000 1.037 309 T CA 1.823 64.017 62.100 0.157 0.000 1.146 309 T CB -0.323 68.559 68.868 0.024 0.000 0.865 309 T HN 0.362 nan 8.240 nan 0.000 0.435 310 N N 0.620 119.299 118.700 -0.035 0.000 2.244 310 N HA 0.021 4.761 4.740 -0.000 0.000 0.183 310 N C 1.373 176.879 175.510 -0.007 0.000 1.016 310 N CA 0.515 53.528 53.050 -0.061 0.000 0.866 310 N CB -0.413 38.071 38.487 -0.005 0.000 0.980 310 N HN 0.352 nan 8.380 nan 0.000 0.430 311 F N 1.483 121.379 119.950 -0.091 0.000 2.102 311 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 311 F C 2.081 177.832 175.800 -0.083 0.000 1.105 311 F CA 1.350 59.278 58.000 -0.120 0.000 1.239 311 F CB -0.861 38.077 39.000 -0.103 0.000 0.991 311 F HN -0.064 nan 8.300 nan 0.000 0.474 312 T N 1.650 116.187 114.554 -0.029 0.000 2.746 312 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 312 T C 2.160 176.818 174.700 -0.069 0.000 1.039 312 T CA 1.860 63.940 62.100 -0.033 0.000 1.142 312 T CB -0.529 68.590 68.868 0.417 0.000 0.866 312 T HN 0.258 nan 8.240 nan 0.000 0.444 313 L N -0.166 121.021 121.223 -0.060 0.000 2.109 313 L HA 0.065 4.405 4.340 -0.000 0.000 0.207 313 L C 2.209 179.009 176.870 -0.116 0.000 1.086 313 L CA 1.074 55.851 54.840 -0.105 0.000 0.760 313 L CB -0.276 41.612 42.059 -0.285 0.000 0.910 313 L HN 0.259 nan 8.230 nan 0.000 0.437 314 L N -2.386 118.740 121.223 -0.162 0.000 2.445 314 L HA 0.048 4.388 4.340 -0.000 0.000 0.207 314 L C 2.179 178.850 176.870 -0.331 0.000 1.053 314 L CA 0.069 54.834 54.840 -0.125 0.000 0.841 314 L CB -0.152 41.917 42.059 0.016 0.000 1.074 314 L HN -0.083 nan 8.230 nan 0.000 0.479 315 V N -0.705 118.829 119.914 -0.633 0.000 2.446 315 V HA -0.107 4.013 4.120 -0.000 0.000 0.244 315 V C 2.427 178.187 176.094 -0.556 0.000 1.039 315 V CA 0.863 62.689 62.300 -0.789 0.000 1.045 315 V CB 0.130 31.459 31.823 -0.822 0.000 0.681 315 V HN 0.115 nan 8.190 nan 0.000 0.459 316 V N 0.685 120.188 119.914 -0.686 0.000 2.252 316 V HA -0.197 3.923 4.120 -0.000 0.000 0.249 316 V C 0.172 176.128 176.094 -0.230 0.000 1.056 316 V CA 2.759 64.771 62.300 -0.480 0.000 1.022 316 V CB -1.873 29.688 31.823 -0.437 0.000 0.641 316 V HN 0.489 nan 8.190 nan 0.000 0.445 317 P HA -0.169 nan 4.420 nan 0.000 0.216 317 P C 1.882 179.150 177.300 -0.053 0.000 1.150 317 P CA 1.244 64.296 63.100 -0.081 0.000 0.843 317 P CB -0.074 31.596 31.700 -0.050 0.000 0.787 318 L N -0.931 120.267 121.223 -0.042 0.000 2.017 318 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 318 L C 2.139 178.999 176.870 -0.018 0.000 1.073 318 L CA 1.837 56.693 54.840 0.027 0.000 0.745 318 L CB -1.327 40.808 42.059 0.125 0.000 0.894 318 L HN -0.118 nan 8.230 nan 0.000 0.432 319 L N -1.357 119.827 121.223 -0.065 0.000 2.056 319 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 319 L C 2.550 179.373 176.870 -0.077 0.000 1.078 319 L CA 1.169 55.971 54.840 -0.063 0.000 0.749 319 L CB -0.678 41.342 42.059 -0.065 0.000 0.901 319 L HN 0.304 nan 8.230 nan 0.000 0.433 320 L N -0.432 120.746 121.223 -0.076 0.000 2.046 320 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 320 L C 2.842 179.662 176.870 -0.084 0.000 1.077 320 L CA 1.329 56.130 54.840 -0.066 0.000 0.747 320 L CB -0.492 41.538 42.059 -0.049 0.000 0.896 320 L HN 0.219 nan 8.230 nan 0.000 0.432 321 R N -0.054 120.403 120.500 -0.070 0.000 2.096 321 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 321 R C 2.369 178.585 176.300 -0.139 0.000 1.127 321 R CA 1.221 57.279 56.100 -0.070 0.000 0.968 321 R CB -0.433 29.849 30.300 -0.030 0.000 0.861 321 R HN 0.338 nan 8.270 nan 0.000 0.440 322 A N 0.621 123.345 122.820 -0.161 0.000 2.067 322 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 322 A C 1.682 178.914 177.584 -0.587 0.000 1.158 322 A CA 0.962 52.844 52.037 -0.259 0.000 0.661 322 A CB -0.116 18.788 19.000 -0.160 0.000 0.801 322 A HN 0.200 nan 8.150 nan 0.000 0.452 323 L N -1.155 119.775 121.223 -0.488 0.000 2.741 323 L HA 0.284 4.624 4.340 -0.000 0.000 0.237 323 L C 1.442 178.092 176.870 -0.367 0.000 1.178 323 L CA 0.321 54.780 54.840 -0.634 0.000 0.973 323 L CB -0.025 41.918 42.059 -0.194 0.000 1.255 323 L HN 0.487 nan 8.230 nan 0.000 0.498 324 G N 0.967 109.592 108.800 -0.291 0.000 2.187 324 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.261 324 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.261 324 G C 0.920 175.846 174.900 0.043 0.000 1.000 324 G CA 0.209 45.324 45.100 0.025 0.000 0.718 324 G HN 0.450 nan 8.290 nan 0.000 0.519 325 R N 0.613 121.107 120.500 -0.009 0.000 2.427 325 R HA 0.100 4.440 4.340 -0.000 0.000 0.262 325 R C 0.622 176.918 176.300 -0.005 0.000 0.943 325 R CA 0.317 56.421 56.100 0.007 0.000 1.081 325 R CB 0.036 30.337 30.300 0.003 0.000 1.166 325 R HN 0.817 nan 8.270 nan 0.000 0.534 326 E N 1.788 121.981 120.200 -0.012 0.000 2.786 326 E HA 0.021 4.371 4.350 -0.000 0.000 0.229 326 E C 0.187 176.786 176.600 -0.002 0.000 1.181 326 E CA 0.720 57.114 56.400 -0.010 0.000 0.945 326 E CB -0.545 29.153 29.700 -0.004 0.000 1.004 326 E HN 0.348 nan 8.360 nan 0.000 0.515 327 G N 2.585 111.382 108.800 -0.005 0.000 2.953 327 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.203 327 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.203 327 G C -0.090 174.809 174.900 -0.001 0.000 1.094 327 G CA -0.264 44.835 45.100 -0.002 0.000 1.016 327 G HN 0.357 nan 8.290 nan 0.000 0.535 328 K N 0.207 120.604 120.400 -0.005 0.000 3.165 328 K HA 0.501 4.821 4.320 -0.000 0.000 0.206 328 K C 0.338 176.934 176.600 -0.006 0.000 1.123 328 K CA -0.494 55.792 56.287 -0.002 0.000 0.978 328 K CB 0.012 32.515 32.500 0.004 0.000 0.749 328 K HN 0.350 nan 8.250 nan 0.000 0.454 329 I N 0.753 121.315 120.570 -0.013 0.000 2.395 329 I HA 0.302 4.472 4.170 -0.000 0.000 0.289 329 I C 1.001 177.097 176.117 -0.035 0.000 1.023 329 I CA -0.384 60.903 61.300 -0.023 0.000 1.350 329 I CB 1.483 39.471 38.000 -0.020 0.000 1.409 329 I HN 0.199 nan 8.210 nan 0.000 0.507 330 G N 5.909 114.680 108.800 -0.048 0.000 2.333 330 G HA2 0.517 4.477 3.960 -0.000 0.000 0.290 330 G HA3 0.517 4.477 3.960 -0.000 0.000 0.290 330 G C -0.312 174.523 174.900 -0.108 0.000 1.150 330 G CA -0.558 44.506 45.100 -0.061 0.000 0.895 330 G HN 0.538 nan 8.290 nan 0.000 0.444 331 K N 1.374 121.718 120.400 -0.094 0.000 2.385 331 K HA 0.597 4.917 4.320 -0.000 0.000 0.248 331 K C -0.691 175.852 176.600 -0.095 0.000 0.955 331 K CA -0.893 55.324 56.287 -0.118 0.000 0.816 331 K CB 2.976 35.422 32.500 -0.091 0.000 1.250 331 K HN 0.500 nan 8.250 nan 0.000 0.434 332 K N 1.554 121.889 120.400 -0.108 0.000 2.543 332 K HA 0.279 4.599 4.320 -0.000 0.000 0.255 332 K C -1.352 175.201 176.600 -0.078 0.000 0.934 332 K CA -0.623 55.615 56.287 -0.083 0.000 0.810 332 K CB 1.890 34.340 32.500 -0.084 0.000 1.315 332 K HN 0.327 nan 8.250 nan 0.000 0.433 333 V N 2.266 122.145 119.914 -0.058 0.000 2.686 333 V HA 0.814 4.934 4.120 -0.000 0.000 0.295 333 V C 0.045 176.109 176.094 -0.050 0.000 1.057 333 V CA -0.079 62.190 62.300 -0.051 0.000 1.012 333 V CB 1.070 32.870 31.823 -0.039 0.000 1.006 333 V HN 0.971 nan 8.190 nan 0.000 0.477 334 A N 3.315 126.105 122.820 -0.049 0.000 2.586 334 A HA 0.954 5.274 4.320 -0.000 0.000 0.290 334 A C -0.466 177.090 177.584 -0.047 0.000 1.086 334 A CA -0.311 51.697 52.037 -0.048 0.000 0.665 334 A CB 1.384 20.351 19.000 -0.055 0.000 1.279 334 A HN 1.206 nan 8.150 nan 0.000 0.423 335 R N 0.245 120.715 120.500 -0.049 0.000 2.514 335 R HA 0.730 5.070 4.340 -0.000 0.000 0.301 335 R C -0.596 175.665 176.300 -0.066 0.000 0.962 335 R CA -0.628 55.440 56.100 -0.052 0.000 0.882 335 R CB 0.329 30.600 30.300 -0.049 0.000 1.143 335 R HN 0.887 nan 8.270 nan 0.000 0.452 336 L N 1.454 122.636 121.223 -0.067 0.000 2.506 336 L HA 0.156 4.496 4.340 -0.000 0.000 0.281 336 L C 2.013 178.801 176.870 -0.136 0.000 1.228 336 L CA 0.663 55.452 54.840 -0.084 0.000 0.850 336 L CB 0.705 42.724 42.059 -0.068 0.000 1.110 336 L HN 0.919 nan 8.230 nan 0.000 0.496 337 K N 0.720 120.988 120.400 -0.219 0.000 2.356 337 K HA 0.082 4.402 4.320 -0.000 0.000 0.195 337 K C -0.204 175.975 176.600 -0.702 0.000 1.037 337 K CA 0.418 56.439 56.287 -0.443 0.000 1.014 337 K CB 0.264 32.445 32.500 -0.530 0.000 0.815 337 K HN 0.594 nan 8.250 nan 0.000 0.507 338 H N -1.442 117.601 119.070 -0.045 0.000 2.990 338 H HA 0.242 4.798 4.556 -0.000 0.000 0.343 338 H C -0.763 174.499 175.328 -0.111 0.000 1.270 338 H CA -0.716 55.294 56.048 -0.064 0.000 1.118 338 H CB 1.170 30.901 29.762 -0.052 0.000 1.861 338 H HN -0.050 nan 8.280 nan 0.000 0.544 339 K N 0.843 121.229 120.400 -0.024 0.000 2.237 339 K HA 0.571 4.891 4.320 -0.000 0.000 0.270 339 K C -0.212 176.169 176.600 -0.365 0.000 1.015 339 K CA -0.464 55.690 56.287 -0.222 0.000 0.949 339 K CB 0.345 32.660 32.500 -0.308 0.000 0.976 339 K HN 0.326 nan 8.250 nan 0.000 0.472 340 V N 2.704 122.366 119.914 -0.420 0.000 2.531 340 V HA 0.598 4.718 4.120 -0.000 0.000 0.301 340 V C -1.271 174.582 176.094 -0.402 0.000 1.034 340 V CA -0.869 61.216 62.300 -0.358 0.000 0.865 340 V CB 1.136 32.881 31.823 -0.129 0.000 0.995 340 V HN 0.734 nan 8.190 nan 0.000 0.424 341 F N 2.647 122.609 119.950 0.020 0.000 2.421 341 F HA 0.800 5.327 4.527 -0.000 0.000 0.337 341 F C 0.577 176.382 175.800 0.008 0.000 1.105 341 F CA -0.509 57.498 58.000 0.011 0.000 1.049 341 F CB 2.086 41.091 39.000 0.009 0.000 1.139 341 F HN 0.551 nan 8.300 nan 0.000 0.479 342 S N 0.294 116.105 115.700 0.186 0.000 2.542 342 S HA 0.802 5.272 4.470 -0.000 0.000 0.276 342 S C -0.768 173.871 174.600 0.065 0.000 1.148 342 S CA -1.028 57.230 58.200 0.097 0.000 0.886 342 S CB 0.396 63.626 63.200 0.051 0.000 1.109 342 S HN 0.798 nan 8.310 nan 0.000 0.458 347 R N 2.827 123.321 120.500 -0.010 0.000 2.351 347 R HA 0.084 4.424 4.340 -0.000 0.000 0.318 347 R C -0.836 175.424 176.300 -0.066 0.000 1.055 347 R CA 0.215 56.277 56.100 -0.063 0.000 0.968 347 R CB 0.596 30.877 30.300 -0.032 0.000 0.974 347 R HN 0.628 nan 8.270 nan 0.000 0.439 348 Q N 3.410 123.108 119.800 -0.170 0.000 2.413 348 Q HA 0.384 4.724 4.340 -0.000 0.000 0.276 348 Q C -1.498 174.318 176.000 -0.308 0.000 1.099 348 Q CA -0.854 54.894 55.803 -0.092 0.000 0.814 348 Q CB 1.621 30.357 28.738 -0.003 0.000 1.379 348 Q HN 0.382 nan 8.270 nan 0.000 0.436 349 F N 1.689 121.619 119.950 -0.033 0.000 2.403 349 F HA 0.357 4.884 4.527 0.000 0.000 0.355 349 F C -0.730 175.096 175.800 0.042 0.000 1.119 349 F CA -0.999 56.970 58.000 -0.052 0.000 1.007 349 F CB 1.559 40.358 39.000 -0.335 0.000 1.194 349 F HN 0.498 nan 8.300 nan 0.000 0.443 350 L N 7.003 128.353 121.223 0.211 0.000 2.278 350 L HA 0.582 4.922 4.340 -0.000 0.000 0.287 350 L C -2.625 174.402 176.870 0.263 0.000 1.072 350 L CA -2.113 52.845 54.840 0.196 0.000 0.819 350 L CB 0.537 42.666 42.059 0.116 0.000 1.176 350 L HN 0.220 nan 8.230 nan 0.000 0.435 351 P HA 0.228 nan 4.420 nan 0.000 0.271 351 P C -1.271 176.149 177.300 0.200 0.000 1.216 351 P CA -0.098 63.189 63.100 0.312 0.000 0.771 351 P CB 1.088 32.981 31.700 0.323 0.000 0.864 352 V N 0.345 120.348 119.914 0.148 0.000 3.040 352 V HA 0.639 4.759 4.120 -0.000 0.000 0.312 352 V C -0.810 175.316 176.094 0.052 0.000 1.115 352 V CA -1.149 61.198 62.300 0.079 0.000 0.998 352 V CB 2.448 34.290 31.823 0.031 0.000 1.042 352 V HN 0.318 nan 8.190 nan 0.000 0.433 353 K N 2.360 122.782 120.400 0.037 0.000 2.244 353 K HA 0.655 4.975 4.320 -0.000 0.000 0.260 353 K C -1.353 175.244 176.600 -0.006 0.000 0.951 353 K CA -0.794 55.506 56.287 0.021 0.000 0.826 353 K CB 1.658 34.178 32.500 0.032 0.000 1.108 353 K HN 0.851 nan 8.250 nan 0.000 0.433 354 L N 4.576 125.787 121.223 -0.020 0.000 2.261 354 L HA 0.266 4.606 4.340 -0.000 0.000 0.289 354 L C 0.023 176.880 176.870 -0.022 0.000 1.059 354 L CA -0.085 54.736 54.840 -0.032 0.000 0.816 354 L CB 1.050 43.081 42.059 -0.046 0.000 1.191 354 L HN 0.676 nan 8.230 nan 0.000 0.431 355 E N 3.274 123.459 120.200 -0.024 0.000 3.012 355 E HA 0.380 4.730 4.350 -0.000 0.000 0.228 355 E C 0.691 177.277 176.600 -0.024 0.000 1.184 355 E CA 0.001 56.390 56.400 -0.019 0.000 1.407 355 E CB 0.872 30.562 29.700 -0.017 0.000 1.438 355 E HN 0.936 nan 8.360 nan 0.000 0.435 356 G N 2.305 111.091 108.800 -0.024 0.000 2.955 356 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.230 356 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.230 356 G C 0.246 175.127 174.900 -0.031 0.000 1.587 356 G CA 0.071 45.156 45.100 -0.024 0.000 1.216 356 G HN 0.443 nan 8.290 nan 0.000 0.527 357 D N 1.125 121.505 120.400 -0.034 0.000 2.433 357 D HA 0.221 4.861 4.640 -0.000 0.000 0.211 357 D C 1.152 177.425 176.300 -0.045 0.000 1.114 357 D CA 0.513 54.491 54.000 -0.037 0.000 0.837 357 D CB 0.228 41.008 40.800 -0.033 0.000 0.984 357 D HN 0.959 nan 8.370 nan 0.000 0.505 358 L N -1.320 119.873 121.223 -0.050 0.000 2.322 358 L HA 0.875 5.215 4.340 -0.000 0.000 0.281 358 L C -0.524 176.309 176.870 -0.061 0.000 1.014 358 L CA -1.295 53.507 54.840 -0.063 0.000 0.815 358 L CB 2.083 44.095 42.059 -0.079 0.000 1.247 358 L HN -0.195 nan 8.230 nan 0.000 0.421 359 A N 3.707 126.490 122.820 -0.062 0.000 2.276 359 A HA 0.647 4.967 4.320 -0.000 0.000 0.300 359 A C -0.208 177.347 177.584 -0.047 0.000 1.235 359 A CA -0.478 51.530 52.037 -0.049 0.000 0.867 359 A CB 0.916 19.890 19.000 -0.044 0.000 1.137 359 A HN 0.594 nan 8.150 nan 0.000 0.527 360 V N 5.866 125.766 119.914 -0.023 0.000 2.333 360 V HA 0.250 4.370 4.120 -0.000 0.000 0.274 360 V C -2.261 173.863 176.094 0.050 0.000 1.028 360 V CA -1.618 60.684 62.300 0.003 0.000 0.851 360 V CB 1.083 32.916 31.823 0.018 0.000 1.000 360 V HN 0.744 nan 8.190 nan 0.000 0.456 361 P HA 0.148 nan 4.420 nan 0.000 0.266 361 P C -0.276 177.083 177.300 0.100 0.000 1.195 361 P CA 0.266 63.416 63.100 0.083 0.000 0.768 361 P CB 0.523 32.267 31.700 0.074 0.000 0.838 362 I N 3.378 124.015 120.570 0.111 0.000 2.385 362 I HA 0.234 4.404 4.170 -0.000 0.000 0.294 362 I C 0.455 176.644 176.117 0.120 0.000 0.988 362 I CA -0.527 60.845 61.300 0.119 0.000 1.265 362 I CB 0.576 38.662 38.000 0.142 0.000 1.388 362 I HN 0.103 nan 8.210 nan 0.000 0.480 363 L N 5.495 126.783 121.223 0.108 0.000 2.358 363 L HA 0.373 4.713 4.340 -0.000 0.000 0.268 363 L C 0.941 177.881 176.870 0.117 0.000 1.032 363 L CA -0.930 53.969 54.840 0.098 0.000 0.805 363 L CB 1.107 43.209 42.059 0.071 0.000 1.253 363 L HN 0.537 nan 8.230 nan 0.000 0.452 364 K N 1.299 121.755 120.400 0.094 0.000 1.965 364 K HA -0.065 4.255 4.320 -0.000 0.000 0.214 364 K C 1.776 178.437 176.600 0.101 0.000 1.046 364 K CA 1.371 57.714 56.287 0.092 0.000 0.944 364 K CB -1.420 31.098 32.500 0.030 0.000 0.726 364 K HN 0.738 nan 8.250 nan 0.000 0.441 365 G N 1.049 109.890 108.800 0.068 0.000 2.581 365 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.223 365 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.223 365 G C 1.538 176.480 174.900 0.071 0.000 1.094 365 G CA 1.614 46.751 45.100 0.061 0.000 0.736 365 G HN 0.497 nan 8.290 nan 0.000 0.588 366 S N -0.363 115.387 115.700 0.083 0.000 2.469 366 S HA 0.326 4.796 4.470 -0.000 0.000 0.238 366 S C 1.261 175.913 174.600 0.085 0.000 0.998 366 S CA 0.925 59.172 58.200 0.079 0.000 0.957 366 S CB -0.399 62.852 63.200 0.086 0.000 0.764 366 S HN 1.809 nan 8.310 nan 0.000 0.514 367 G N -0.293 108.573 108.800 0.110 0.000 2.674 367 G HA2 0.321 4.281 3.960 -0.000 0.000 0.686 367 G HA3 0.321 4.281 3.960 -0.000 0.000 0.686 367 G C 0.428 175.403 174.900 0.124 0.000 1.195 367 G CA -0.374 44.792 45.100 0.109 0.000 0.776 367 G HN 0.965 nan 8.290 nan 0.000 0.654 368 A N 0.461 123.347 122.820 0.111 0.000 1.877 368 A HA 0.181 4.501 4.320 -0.000 0.000 0.216 368 A C 2.676 180.199 177.584 -0.101 0.000 1.186 368 A CA 3.227 55.237 52.037 -0.044 0.000 0.620 368 A CB -0.490 18.478 19.000 -0.052 0.000 0.822 368 A HN 1.628 nan 8.150 nan 0.000 0.443 369 V N -0.625 119.269 119.914 -0.034 0.000 2.323 369 V HA -0.186 3.934 4.120 -0.000 0.000 0.244 369 V C 2.691 178.841 176.094 0.094 0.000 1.041 369 V CA 2.357 64.658 62.300 0.001 0.000 1.025 369 V CB -1.335 30.482 31.823 -0.011 0.000 0.656 369 V HN 0.566 nan 8.190 nan 0.000 0.451 370 T N -0.014 114.582 114.554 0.070 0.000 2.759 370 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 370 T C 2.145 176.895 174.700 0.083 0.000 1.042 370 T CA 1.879 64.024 62.100 0.075 0.000 1.140 370 T CB -0.240 68.665 68.868 0.062 0.000 0.864 370 T HN 0.491 nan 8.240 nan 0.000 0.455 371 S N 0.936 116.690 115.700 0.090 0.000 2.368 371 S HA -0.033 4.437 4.470 -0.000 0.000 0.224 371 S C 1.618 176.274 174.600 0.093 0.000 1.029 371 S CA 0.831 59.090 58.200 0.099 0.000 0.988 371 S CB -0.466 62.807 63.200 0.123 0.000 0.838 371 S HN 0.563 nan 8.310 nan 0.000 0.462 372 F N 2.706 122.601 119.950 -0.091 0.000 2.102 372 F HA -0.126 4.401 4.527 0.000 0.000 0.298 372 F C 1.842 177.604 175.800 -0.064 0.000 1.105 372 F CA 1.200 59.128 58.000 -0.121 0.000 1.239 372 F CB -0.318 38.576 39.000 -0.178 0.000 0.991 372 F HN 0.069 nan 8.300 nan 0.000 0.474 373 I N 0.840 121.405 120.570 -0.008 0.000 2.226 373 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 373 I C 1.857 177.913 176.117 -0.103 0.000 1.100 373 I CA 1.542 62.781 61.300 -0.102 0.000 1.374 373 I CB -1.438 36.580 38.000 0.030 0.000 1.057 373 I HN 0.207 nan 8.210 nan 0.000 0.413 374 D N 1.080 121.465 120.400 -0.025 0.000 2.277 374 D HA 0.031 4.671 4.640 -0.000 0.000 0.208 374 D C 1.106 177.422 176.300 0.027 0.000 0.962 374 D CA 0.374 54.378 54.000 0.007 0.000 0.865 374 D CB 0.032 40.857 40.800 0.041 0.000 0.939 374 D HN 0.202 nan 8.370 nan 0.000 0.510 375 A N 1.469 124.312 122.820 0.038 0.000 2.473 375 A HA 0.033 4.353 4.320 -0.000 0.000 0.282 375 A C 0.714 178.441 177.584 0.239 0.000 1.163 375 A CA 0.002 52.144 52.037 0.175 0.000 0.827 375 A CB 0.172 19.334 19.000 0.271 0.000 1.098 375 A HN -0.093 nan 8.150 nan 0.000 0.515 376 D N 1.857 122.336 120.400 0.131 0.000 2.327 376 D HA 0.261 4.901 4.640 -0.000 0.000 0.205 376 D C 1.006 177.188 176.300 -0.197 0.000 0.989 376 D CA 1.620 55.647 54.000 0.045 0.000 0.873 376 D CB 0.735 41.519 40.800 -0.027 0.000 0.955 376 D HN 0.758 nan 8.370 nan 0.000 0.515 377 G N 0.108 108.640 108.800 -0.446 0.000 2.341 377 G HA2 0.402 4.362 3.960 -0.000 0.000 0.299 377 G HA3 0.402 4.362 3.960 -0.000 0.000 0.299 377 G C -1.868 172.671 174.900 -0.602 0.000 1.274 377 G CA -0.801 43.596 45.100 -1.172 0.000 0.853 377 G HN 0.048 nan 8.290 nan 0.000 0.493 378 F N -1.223 118.468 119.950 -0.432 0.000 2.613 378 F HA 0.868 5.395 4.527 0.000 0.000 0.314 378 F C -0.914 174.880 175.800 -0.010 0.000 1.075 378 F CA -1.773 56.183 58.000 -0.073 0.000 0.945 378 F CB 1.766 40.839 39.000 0.121 0.000 1.310 378 F HN 0.410 nan 8.300 nan 0.000 0.467 379 V N 1.595 121.717 119.914 0.347 0.000 2.448 379 V HA 0.338 4.458 4.120 -0.000 0.000 0.295 379 V C -0.456 175.761 176.094 0.205 0.000 1.025 379 V CA -0.748 61.673 62.300 0.202 0.000 0.859 379 V CB 1.388 33.254 31.823 0.071 0.000 0.988 379 V HN 0.903 nan 8.190 nan 0.000 0.431 380 E N 5.334 125.610 120.200 0.127 0.000 2.194 380 E HA 0.420 4.770 4.350 -0.000 0.000 0.284 380 E C -1.059 175.403 176.600 -0.230 0.000 1.035 380 E CA -0.452 55.801 56.400 -0.246 0.000 0.836 380 E CB 0.818 30.385 29.700 -0.223 0.000 1.070 380 E HN 0.644 nan 8.360 nan 0.000 0.401 381 I N 6.834 127.227 120.570 -0.295 0.000 2.328 381 I HA 0.277 4.447 4.170 -0.000 0.000 0.287 381 I C -2.106 173.898 176.117 -0.189 0.000 1.012 381 I CA -2.615 58.583 61.300 -0.171 0.000 1.195 381 I CB 1.272 39.208 38.000 -0.106 0.000 1.350 381 I HN 0.393 nan 8.210 nan 0.000 0.464 382 P HA -0.100 nan 4.420 nan 0.000 0.266 382 P C 0.223 177.479 177.300 -0.073 0.000 1.180 382 P CA 0.262 63.305 63.100 -0.095 0.000 0.765 382 P CB 0.485 32.153 31.700 -0.055 0.000 0.806 383 E N 0.372 120.539 120.200 -0.055 0.000 2.333 383 E HA -0.228 4.122 4.350 -0.000 0.000 0.200 383 E C 1.671 178.260 176.600 -0.019 0.000 1.010 383 E CA 1.857 58.239 56.400 -0.030 0.000 0.841 383 E CB -1.193 28.500 29.700 -0.012 0.000 0.757 383 E HN 0.644 nan 8.360 nan 0.000 0.508 384 T N -1.976 112.566 114.554 -0.019 0.000 2.520 384 T HA 0.079 4.429 4.350 -0.000 0.000 0.258 384 T C 1.491 176.188 174.700 -0.005 0.000 1.125 384 T CA 2.318 64.412 62.100 -0.009 0.000 1.206 384 T CB -0.770 68.093 68.868 -0.008 0.000 0.864 384 T HN 0.584 nan 8.240 nan 0.000 0.400 385 V N -1.827 118.084 119.914 -0.005 0.000 3.396 385 V HA 0.404 4.524 4.120 -0.000 0.000 0.281 385 V C 0.503 176.609 176.094 0.020 0.000 1.800 385 V CA 1.029 63.334 62.300 0.009 0.000 1.961 385 V CB -1.164 30.669 31.823 0.018 0.000 0.646 385 V HN 1.871 nan 8.190 nan 0.000 0.351 386 E N -1.752 118.473 120.200 0.041 0.000 6.021 386 E HA 0.553 4.903 4.350 -0.000 0.000 0.249 386 E C 0.885 177.541 176.600 0.094 0.000 1.413 386 E CA 1.699 58.135 56.400 0.059 0.000 2.402 386 E CB -2.055 27.665 29.700 0.034 0.000 1.823 386 E HN 3.128 nan 8.360 nan 0.000 0.496 387 S N -1.559 114.193 115.700 0.085 0.000 2.536 387 S HA 0.994 5.464 4.470 -0.000 0.000 0.298 387 S C 1.564 176.153 174.600 -0.019 0.000 1.083 387 S CA 0.344 58.578 58.200 0.058 0.000 0.995 387 S CB 1.134 64.409 63.200 0.125 0.000 1.058 387 S HN 2.387 nan 8.310 nan 0.000 0.488 388 L N 0.237 121.414 121.223 -0.076 0.000 2.418 388 L HA 0.281 4.621 4.340 -0.000 0.000 0.218 388 L C 0.784 177.611 176.870 -0.072 0.000 1.125 388 L CA 1.172 55.972 54.840 -0.067 0.000 0.835 388 L CB -1.600 40.418 42.059 -0.070 0.000 0.953 388 L HN 0.917 nan 8.230 nan 0.000 0.454 389 D N -0.923 119.415 120.400 -0.104 0.000 4.488 389 D HA -0.227 4.413 4.640 -0.000 0.000 0.303 389 D C 0.058 176.316 176.300 -0.069 0.000 2.374 389 D CA 1.339 55.292 54.000 -0.079 0.000 1.117 389 D CB -0.080 40.699 40.800 -0.035 0.000 1.102 389 D HN 0.777 nan 8.370 nan 0.000 1.284 390 E N -0.281 119.891 120.200 -0.047 0.000 2.319 390 E HA 0.402 4.752 4.350 -0.000 0.000 0.268 390 E C 1.147 177.721 176.600 -0.044 0.000 1.050 390 E CA 0.193 56.566 56.400 -0.046 0.000 0.878 390 E CB 0.877 30.559 29.700 -0.031 0.000 1.066 390 E HN 0.605 nan 8.360 nan 0.000 0.406 391 G N 3.331 112.099 108.800 -0.053 0.000 2.634 391 G HA2 -0.518 3.442 3.960 -0.000 0.000 0.318 391 G HA3 -0.518 3.442 3.960 -0.000 0.000 0.318 391 G C 0.503 175.380 174.900 -0.039 0.000 1.207 391 G CA 1.734 46.806 45.100 -0.046 0.000 0.987 391 G HN 1.193 nan 8.290 nan 0.000 0.547 392 E N -0.205 119.976 120.200 -0.031 0.000 3.313 392 E HA -0.297 4.053 4.350 -0.000 0.000 0.283 392 E C 0.347 176.931 176.600 -0.027 0.000 0.941 392 E CA 2.217 58.601 56.400 -0.026 0.000 0.907 392 E CB -2.153 27.532 29.700 -0.025 0.000 1.458 392 E HN 1.706 nan 8.360 nan 0.000 0.463 393 E N -1.226 118.955 120.200 -0.032 0.000 7.049 393 E HA -0.116 4.234 4.350 -0.000 0.000 0.448 393 E C -0.248 176.333 176.600 -0.031 0.000 0.319 393 E CA 1.245 57.626 56.400 -0.032 0.000 0.705 393 E CB -0.285 29.398 29.700 -0.028 0.000 0.907 393 E HN 0.782 nan 8.360 nan 0.000 0.349 394 V N -0.342 119.551 119.914 -0.035 0.000 2.876 394 V HA 0.626 4.746 4.120 -0.000 0.000 0.312 394 V C -0.268 175.804 176.094 -0.038 0.000 1.085 394 V CA -1.115 61.166 62.300 -0.032 0.000 0.945 394 V CB 2.077 33.882 31.823 -0.030 0.000 1.017 394 V HN 0.588 nan 8.190 nan 0.000 0.428 395 E N 1.861 122.040 120.200 -0.033 0.000 2.338 395 E HA 0.568 4.918 4.350 -0.000 0.000 0.272 395 E C -0.961 175.599 176.600 -0.068 0.000 1.029 395 E CA -0.055 56.318 56.400 -0.045 0.000 0.872 395 E CB 1.483 31.166 29.700 -0.029 0.000 1.015 395 E HN 0.739 nan 8.360 nan 0.000 0.417 396 V N 4.482 124.326 119.914 -0.117 0.000 2.483 396 V HA 0.280 4.400 4.120 -0.000 0.000 0.297 396 V C -0.335 175.566 176.094 -0.322 0.000 1.027 396 V CA -0.836 61.343 62.300 -0.202 0.000 0.855 396 V CB 2.005 33.720 31.823 -0.180 0.000 0.995 396 V HN 0.731 nan 8.190 nan 0.000 0.424 397 T N 6.833 121.046 114.554 -0.568 0.000 2.723 397 T HA 0.486 4.836 4.350 -0.000 0.000 0.297 397 T C -0.073 174.126 174.700 -0.834 0.000 0.925 397 T CA -0.196 61.488 62.100 -0.693 0.000 1.030 397 T CB 0.338 68.619 68.868 -0.978 0.000 0.905 397 T HN 0.220 nan 8.240 nan 0.000 0.502 398 L N 3.011 123.932 121.223 -0.503 0.000 2.436 398 L HA 0.359 4.699 4.340 -0.000 0.000 0.265 398 L C 0.328 176.988 176.870 -0.350 0.000 1.168 398 L CA -0.153 54.417 54.840 -0.450 0.000 0.815 398 L CB -0.004 41.925 42.059 -0.216 0.000 1.109 398 L HN 0.555 nan 8.230 nan 0.000 0.462 399 F N 3.004 122.902 119.950 -0.086 0.000 2.626 399 F HA 0.243 4.770 4.527 0.000 0.000 0.353 399 F C 1.053 176.839 175.800 -0.024 0.000 1.230 399 F CA -0.423 57.560 58.000 -0.028 0.000 1.298 399 F CB -1.048 37.938 39.000 -0.023 0.000 1.670 399 F HN 0.528 nan 8.300 nan 0.000 0.633 400 K N 0.718 121.195 120.400 0.128 0.000 1.699 400 K HA -0.180 4.140 4.320 -0.000 0.000 0.127 400 K C 0.414 177.069 176.600 0.092 0.000 1.157 400 K CA 1.636 57.981 56.287 0.097 0.000 0.341 400 K CB -1.257 31.307 32.500 0.108 0.000 0.645 400 K HN 0.773 nan 8.250 nan 0.000 0.848 401 G N -1.404 107.459 108.800 0.105 0.000 2.523 401 G HA2 0.407 4.367 3.960 -0.000 0.000 0.291 401 G HA3 0.407 4.367 3.960 -0.000 0.000 0.291 401 G C -0.878 174.118 174.900 0.160 0.000 1.450 401 G CA 0.030 45.220 45.100 0.149 0.000 0.790 401 G HN 1.299 nan 8.290 nan 0.000 0.496 402 W N 0.000 121.304 121.300 0.006 0.000 2.388 402 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 402 W CA 0.000 57.346 57.345 0.001 0.000 1.226 402 W CB 0.000 29.464 29.460 0.006 0.000 1.126 402 W HN 0.000 nan 8.180 nan 0.000 0.535