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 1bi9_1_A DATA FIRST_RESID 2 DATA SEQUENCE MASLQLLPSP TPNLEIKYTK IFINNEWQNS ESGRVFPVCN PATGEQVCEV DATA SEQUENCE QEADKVDIDK AVQAARLAFS LGSVWRRMDA SERGRLLDKL ADLVERDRAT DATA SEQUENCE LATMESLNGG KPFLQAFYID LQGVIKTLRY YAGWADKIHG MTIPVDGDYF DATA SEQUENCE TFTRHEPIGV CGQIIPWNFP LLMFTWKIAP ALCCGNTVVI KPAEQTPLSA DATA SEQUENCE LYMGALIKEA GFPPGVVNIL PGYGPTAGAA IASHIGIDKI AFTGSTEVGK DATA SEQUENCE LIQEAAGRSN LKRVTLELGG KSPNIIFADA DLDYAVEQAH QGVFFNQGQC DATA SEQUENCE CTAGSRIFVE ESIYEEFVKR SVERAKRRIV GSPFDPTTEQ GPQIDKKQYN DATA SEQUENCE KILELIQSGV AEGAKLECGG KGLGRKGFFI EPTVFSNVTD DMRIAKEEIF DATA SEQUENCE GPVQEILRFK TMDEVIERAN NSDFGLVAAV FTNDINKALM VSSAMQAGTV DATA SEQUENCE WINCYXXXXX XXXXXXXXXX XXXXXXGEFG LREYSEVKTV TVKIPQKNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 M HA 0.000 nan 4.480 nan 0.000 0.227 2 M C 0.000 176.299 176.300 -0.002 0.000 1.140 2 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 2 M CB 0.000 32.598 32.600 -0.003 0.000 1.302 3 A N 0.811 123.631 122.820 -0.000 0.000 2.239 3 A HA 0.161 4.483 4.320 0.003 0.000 0.209 3 A C 0.451 178.036 177.584 0.003 0.000 1.171 3 A CA 0.824 52.862 52.037 0.002 0.000 0.768 3 A CB -1.305 17.697 19.000 0.003 0.000 0.790 3 A HN 0.806 nan 8.150 nan 0.000 0.478 4 S N 0.137 115.837 115.700 0.001 0.000 2.670 4 S HA 0.183 4.655 4.470 0.003 0.000 0.308 4 S C 0.290 174.892 174.600 0.003 0.000 1.232 4 S CA -0.273 57.928 58.200 0.002 0.000 1.126 4 S CB -0.206 62.994 63.200 -0.001 0.000 0.897 4 S HN 0.356 nan 8.310 nan 0.000 0.508 5 L N 2.923 124.150 121.223 0.007 0.000 2.873 5 L HA 0.049 4.391 4.340 0.003 0.000 0.252 5 L C 2.404 179.279 176.870 0.009 0.000 1.266 5 L CA -0.253 54.593 54.840 0.010 0.000 1.111 5 L CB -0.529 41.540 42.059 0.017 0.000 1.440 5 L HN 0.782 nan 8.230 nan 0.000 0.427 6 Q N 0.984 120.785 119.800 0.001 0.000 2.118 6 Q HA -0.242 4.100 4.340 0.003 0.000 0.211 6 Q C 1.049 177.043 176.000 -0.011 0.000 0.998 6 Q CA 1.369 57.168 55.803 -0.005 0.000 0.872 6 Q CB -0.141 28.588 28.738 -0.014 0.000 0.925 6 Q HN 0.331 nan 8.270 nan 0.000 0.414 7 L N 2.237 123.453 121.223 -0.013 0.000 2.745 7 L HA -0.046 4.296 4.340 0.003 0.000 0.273 7 L C 0.089 176.952 176.870 -0.011 0.000 1.156 7 L CA 1.086 55.914 54.840 -0.020 0.000 0.982 7 L CB -0.931 41.120 42.059 -0.013 0.000 1.295 7 L HN 0.235 nan 8.230 nan 0.000 0.483 8 L N 4.854 126.057 121.223 -0.034 0.000 2.485 8 L HA 0.491 4.833 4.340 0.003 0.000 0.245 8 L C -2.235 174.556 176.870 -0.132 0.000 1.137 8 L CA -1.657 53.163 54.840 -0.034 0.000 0.954 8 L CB 2.140 44.207 42.059 0.014 0.000 1.560 8 L HN 0.340 nan 8.230 nan 0.000 0.403 9 P HA 0.136 nan 4.420 nan 0.000 0.267 9 P C -1.265 175.914 177.300 -0.202 0.000 1.205 9 P CA 0.264 63.082 63.100 -0.471 0.000 0.765 9 P CB 0.841 31.782 31.700 -1.266 0.000 0.828 10 S N 3.277 118.813 115.700 -0.272 0.000 2.557 10 S HA 0.554 5.026 4.470 0.003 0.000 0.291 10 S C -2.185 171.946 174.600 -0.781 0.000 1.116 10 S CA -1.802 56.106 58.200 -0.486 0.000 0.992 10 S CB 0.741 63.745 63.200 -0.326 0.000 1.028 10 S HN 0.189 nan 8.310 nan 0.000 0.484 11 P HA 0.127 nan 4.420 nan 0.000 0.317 11 P C -0.302 176.570 177.300 -0.715 0.000 1.427 11 P CA 0.437 62.679 63.100 -1.431 0.000 0.820 11 P CB 0.051 30.565 31.700 -1.977 0.000 1.894 12 T N -1.998 112.152 114.554 -0.673 0.000 4.209 12 T HA 0.219 4.571 4.350 0.003 0.000 0.319 12 T C -2.417 172.119 174.700 -0.273 0.000 0.730 12 T CA -0.920 60.959 62.100 -0.368 0.000 0.949 12 T CB 0.563 69.308 68.868 -0.206 0.000 1.110 12 T HN 0.149 nan 8.240 nan 0.000 0.470 13 P HA 0.007 nan 4.420 nan 0.000 0.223 13 P C 0.790 178.078 177.300 -0.020 0.000 1.151 13 P CA 0.732 63.810 63.100 -0.037 0.000 0.787 13 P CB 0.045 31.726 31.700 -0.032 0.000 0.788 14 N N -0.266 118.397 118.700 -0.061 0.000 2.441 14 N HA 0.042 4.784 4.740 0.003 0.000 0.225 14 N C -0.197 175.288 175.510 -0.042 0.000 1.208 14 N CA -0.233 52.789 53.050 -0.046 0.000 0.847 14 N CB -0.875 37.579 38.487 -0.054 0.000 1.121 14 N HN -0.043 nan 8.380 nan 0.000 0.479 15 L N 2.014 123.219 121.223 -0.029 0.000 2.312 15 L HA 0.262 4.604 4.340 0.003 0.000 0.287 15 L C -0.587 176.271 176.870 -0.020 0.000 1.091 15 L CA -0.485 54.340 54.840 -0.024 0.000 0.846 15 L CB 0.074 42.132 42.059 -0.001 0.000 1.219 15 L HN 0.222 nan 8.230 nan 0.000 0.439 16 E N 5.243 125.421 120.200 -0.037 0.000 2.151 16 E HA 0.394 4.746 4.350 0.003 0.000 0.275 16 E C -0.780 175.780 176.600 -0.066 0.000 0.936 16 E CA -0.685 55.684 56.400 -0.051 0.000 0.777 16 E CB 1.097 30.761 29.700 -0.061 0.000 1.108 16 E HN 0.301 nan 8.360 nan 0.000 0.401 17 I N 3.699 124.228 120.570 -0.070 0.000 2.460 17 I HA -0.007 4.165 4.170 0.003 0.000 0.297 17 I C 1.265 177.283 176.117 -0.166 0.000 1.139 17 I CA 0.350 61.603 61.300 -0.078 0.000 1.340 17 I CB -0.195 37.766 38.000 -0.065 0.000 1.444 17 I HN 0.840 nan 8.210 nan 0.000 0.557 18 K N 5.605 125.853 120.400 -0.252 0.000 2.155 18 K HA -0.077 4.245 4.320 0.003 0.000 0.203 18 K C -0.210 175.881 176.600 -0.847 0.000 1.052 18 K CA 1.060 57.007 56.287 -0.567 0.000 0.948 18 K CB 0.216 32.256 32.500 -0.765 0.000 0.728 18 K HN 0.401 nan 8.250 nan 0.000 0.448 19 Y N 0.673 120.815 120.300 -0.262 0.000 2.417 19 Y HA 0.165 4.717 4.550 0.003 0.000 0.336 19 Y C 0.401 176.150 175.900 -0.251 0.000 0.961 19 Y CA -0.578 57.239 58.100 -0.472 0.000 1.215 19 Y CB 1.654 39.783 38.460 -0.552 0.000 1.120 19 Y HN 0.036 nan 8.280 nan 0.000 0.499 20 T N -1.660 112.814 114.554 -0.133 0.000 3.209 20 T HA 0.399 4.751 4.350 0.003 0.000 0.295 20 T C 0.051 174.777 174.700 0.043 0.000 0.977 20 T CA -0.521 61.550 62.100 -0.049 0.000 0.922 20 T CB -0.029 68.776 68.868 -0.105 0.000 1.152 20 T HN 0.324 nan 8.240 nan 0.000 0.527 21 K N 0.648 121.142 120.400 0.157 0.000 2.280 21 K HA 0.704 5.026 4.320 0.003 0.000 0.234 21 K C -0.530 176.368 176.600 0.496 0.000 1.028 21 K CA -1.134 55.335 56.287 0.304 0.000 0.882 21 K CB 1.650 34.343 32.500 0.321 0.000 1.194 21 K HN 0.110 nan 8.250 nan 0.000 0.458 22 I N 1.747 122.543 120.570 0.376 0.000 2.496 22 I HA 0.038 4.210 4.170 0.003 0.000 0.285 22 I C -0.385 175.898 176.117 0.277 0.000 1.080 22 I CA 0.006 61.488 61.300 0.303 0.000 1.404 22 I CB 0.215 38.324 38.000 0.181 0.000 1.403 22 I HN 0.362 nan 8.210 nan 0.000 0.539 23 F N 8.574 128.514 119.950 -0.017 0.000 2.313 23 F HA 0.570 5.099 4.527 0.003 0.000 0.369 23 F C -0.483 175.169 175.800 -0.247 0.000 1.109 23 F CA -0.463 57.322 58.000 -0.358 0.000 1.132 23 F CB 0.208 38.888 39.000 -0.535 0.000 1.291 23 F HN 0.172 nan 8.300 nan 0.000 0.496 24 I N 5.077 125.246 120.570 -0.667 0.000 2.499 24 I HA 0.207 4.379 4.170 0.003 0.000 0.288 24 I C -0.023 175.735 176.117 -0.598 0.000 1.048 24 I CA -1.125 59.863 61.300 -0.520 0.000 1.062 24 I CB 1.864 39.719 38.000 -0.241 0.000 1.238 24 I HN 0.577 nan 8.210 nan 0.000 0.426 25 N N 4.552 122.932 118.700 -0.533 0.000 2.727 25 N HA -0.245 4.497 4.740 0.003 0.000 0.249 25 N C -0.078 175.132 175.510 -0.501 0.000 1.048 25 N CA 0.758 53.567 53.050 -0.402 0.000 0.714 25 N CB -0.762 37.580 38.487 -0.242 0.000 0.959 25 N HN 0.763 nan 8.380 nan 0.000 0.544 26 N N -1.365 116.797 118.700 -0.896 0.000 2.714 26 N HA -0.208 4.534 4.740 0.003 0.000 0.250 26 N C -1.319 173.845 175.510 -0.577 0.000 1.117 26 N CA 1.679 54.276 53.050 -0.756 0.000 0.719 26 N CB -0.713 37.650 38.487 -0.206 0.000 1.081 26 N HN 0.700 nan 8.380 nan 0.000 0.557 27 E N -0.923 118.837 120.200 -0.734 0.000 2.293 27 E HA 0.284 4.636 4.350 0.003 0.000 0.270 27 E C -0.478 175.881 176.600 -0.401 0.000 0.879 27 E CA -0.545 55.622 56.400 -0.388 0.000 0.756 27 E CB 0.858 30.439 29.700 -0.198 0.000 1.208 27 E HN 0.128 nan 8.360 nan 0.000 0.428 28 W N 2.611 123.957 121.300 0.076 0.000 2.342 28 W HA 0.200 4.861 4.660 0.003 0.000 0.310 28 W C 0.505 177.067 176.519 0.072 0.000 1.128 28 W CA -0.458 56.964 57.345 0.128 0.000 1.322 28 W CB 0.770 30.338 29.460 0.181 0.000 1.251 28 W HN 0.077 nan 8.180 nan 0.000 0.439 29 Q N 2.039 121.986 119.800 0.244 0.000 2.297 29 Q HA 0.380 4.722 4.340 0.003 0.000 0.269 29 Q C -0.645 175.456 176.000 0.167 0.000 1.051 29 Q CA -1.156 54.740 55.803 0.156 0.000 0.869 29 Q CB 1.921 30.703 28.738 0.073 0.000 1.346 29 Q HN 0.499 nan 8.270 nan 0.000 0.457 30 N N -0.027 118.746 118.700 0.122 0.000 2.487 30 N HA 0.191 4.933 4.740 0.003 0.000 0.292 30 N C -0.490 175.080 175.510 0.101 0.000 1.108 30 N CA -0.301 52.816 53.050 0.110 0.000 0.956 30 N CB 1.068 39.606 38.487 0.085 0.000 1.176 30 N HN 0.537 nan 8.380 nan 0.000 0.484 31 S N 1.094 116.860 115.700 0.110 0.000 2.552 31 S HA -0.021 4.451 4.470 0.003 0.000 0.289 31 S C 1.101 175.750 174.600 0.081 0.000 1.304 31 S CA -0.362 57.901 58.200 0.104 0.000 1.063 31 S CB 0.895 64.169 63.200 0.124 0.000 0.848 31 S HN 0.518 nan 8.310 nan 0.000 0.499 32 E N 2.661 122.904 120.200 0.071 0.000 2.065 32 E HA -0.193 4.159 4.350 0.003 0.000 0.201 32 E C 2.449 179.083 176.600 0.056 0.000 1.016 32 E CA 1.987 58.421 56.400 0.057 0.000 0.818 32 E CB -0.851 28.880 29.700 0.051 0.000 0.749 32 E HN 0.963 nan 8.360 nan 0.000 0.453 33 S N -1.374 114.363 115.700 0.062 0.000 2.368 33 S HA -0.074 4.399 4.470 0.003 0.000 0.225 33 S C 1.773 176.410 174.600 0.061 0.000 1.030 33 S CA 1.939 60.175 58.200 0.059 0.000 0.999 33 S CB -0.073 63.167 63.200 0.067 0.000 0.844 33 S HN 0.414 nan 8.310 nan 0.000 0.459 34 G N 0.696 109.539 108.800 0.073 0.000 2.231 34 G HA2 -0.190 3.772 3.960 0.003 0.000 0.206 34 G HA3 -0.190 3.772 3.960 0.003 0.000 0.206 34 G C 0.227 175.177 174.900 0.084 0.000 0.996 34 G CA -0.092 45.050 45.100 0.070 0.000 0.645 34 G HN 0.606 nan 8.290 nan 0.000 0.498 35 R N -0.205 120.354 120.500 0.099 0.000 2.811 35 R HA 0.490 4.832 4.340 0.003 0.000 0.265 35 R C -0.277 176.119 176.300 0.160 0.000 1.026 35 R CA 0.670 56.845 56.100 0.126 0.000 1.142 35 R CB 0.778 31.163 30.300 0.141 0.000 1.027 35 R HN 0.151 nan 8.270 nan 0.000 0.465 36 V N 3.299 123.323 119.914 0.183 0.000 2.932 36 V HA 0.428 4.550 4.120 0.003 0.000 0.307 36 V C -1.270 174.993 176.094 0.282 0.000 1.147 36 V CA -0.685 61.728 62.300 0.189 0.000 0.951 36 V CB 1.872 33.745 31.823 0.083 0.000 1.031 36 V HN 0.656 nan 8.190 nan 0.000 0.426 37 F N 4.649 124.638 119.950 0.066 0.000 2.546 37 F HA 0.949 5.479 4.527 0.004 0.000 0.320 37 F C -2.817 173.013 175.800 0.049 0.000 1.076 37 F CA -2.983 55.068 58.000 0.085 0.000 0.928 37 F CB 1.608 40.645 39.000 0.061 0.000 1.189 37 F HN 0.287 nan 8.300 nan 0.000 0.465 38 P HA 0.299 nan 4.420 nan 0.000 0.277 38 P C -1.180 176.113 177.300 -0.012 0.000 1.240 38 P CA -0.308 62.794 63.100 0.004 0.000 0.798 38 P CB 2.234 33.978 31.700 0.074 0.000 0.979 39 V N 2.154 122.023 119.914 -0.075 0.000 2.531 39 V HA 0.306 4.428 4.120 0.003 0.000 0.301 39 V C 0.191 176.277 176.094 -0.014 0.000 1.034 39 V CA -0.345 61.928 62.300 -0.045 0.000 0.865 39 V CB 1.542 33.297 31.823 -0.115 0.000 0.995 39 V HN 0.703 nan 8.190 nan 0.000 0.424 40 C N 3.383 122.693 119.300 0.016 0.000 2.454 40 C HA 0.515 4.977 4.460 0.003 0.000 0.336 40 C C 0.358 175.348 174.990 0.000 0.000 1.189 40 C CA -0.845 58.182 59.018 0.014 0.000 1.877 40 C CB 1.615 29.386 27.740 0.051 0.000 2.348 40 C HN 0.887 nan 8.230 nan 0.000 0.508 41 N N 2.861 121.547 118.700 -0.022 0.000 2.420 41 N HA 0.193 4.935 4.740 0.003 0.000 0.249 41 N C -1.488 173.996 175.510 -0.045 0.000 1.033 41 N CA -1.647 51.371 53.050 -0.053 0.000 0.944 41 N CB 1.266 39.701 38.487 -0.087 0.000 1.113 41 N HN 0.431 nan 8.380 nan 0.000 0.502 42 P HA -0.023 nan 4.420 nan 0.000 0.239 42 P C 0.376 177.614 177.300 -0.104 0.000 1.184 42 P CA 0.502 63.635 63.100 0.055 0.000 0.760 42 P CB 0.305 32.029 31.700 0.039 0.000 0.884 43 A N -0.124 122.627 122.820 -0.116 0.000 2.197 43 A HA 0.118 4.440 4.320 0.003 0.000 0.210 43 A C 1.803 179.384 177.584 -0.006 0.000 1.180 43 A CA 1.311 53.345 52.037 -0.006 0.000 0.846 43 A CB -0.508 18.503 19.000 0.019 0.000 0.884 43 A HN 0.320 nan 8.150 nan 0.000 0.487 44 T N -6.560 107.916 114.554 -0.131 0.000 3.087 44 T HA 0.429 4.781 4.350 0.003 0.000 0.283 44 T C 1.433 176.010 174.700 -0.205 0.000 0.956 44 T CA 1.069 63.079 62.100 -0.150 0.000 0.894 44 T CB 0.379 69.177 68.868 -0.116 0.000 1.160 44 T HN 1.603 nan 8.240 nan 0.000 0.532 45 G N 2.235 110.878 108.800 -0.262 0.000 2.284 45 G HA2 -0.347 3.615 3.960 0.003 0.000 0.261 45 G HA3 -0.347 3.615 3.960 0.003 0.000 0.261 45 G C 0.052 174.894 174.900 -0.096 0.000 0.997 45 G CA 0.544 45.505 45.100 -0.232 0.000 0.621 45 G HN 1.085 nan 8.290 nan 0.000 0.534 46 E N 1.102 121.247 120.200 -0.093 0.000 2.438 46 E HA 0.192 4.544 4.350 0.003 0.000 0.261 46 E C 0.212 176.788 176.600 -0.039 0.000 1.103 46 E CA 0.286 56.649 56.400 -0.061 0.000 0.959 46 E CB 0.249 29.909 29.700 -0.067 0.000 0.958 46 E HN 0.512 nan 8.360 nan 0.000 0.447 47 Q N 3.015 122.796 119.800 -0.031 0.000 2.331 47 Q HA 0.171 4.513 4.340 0.003 0.000 0.257 47 Q C 0.241 176.220 176.000 -0.035 0.000 0.957 47 Q CA -0.625 55.163 55.803 -0.025 0.000 0.923 47 Q CB 1.533 30.260 28.738 -0.017 0.000 1.212 47 Q HN 0.597 nan 8.270 nan 0.000 0.443 48 V N 3.743 123.634 119.914 -0.039 0.000 2.323 48 V HA -0.099 4.023 4.120 0.003 0.000 0.244 48 V C 0.889 176.951 176.094 -0.053 0.000 1.041 48 V CA 1.529 63.804 62.300 -0.043 0.000 1.025 48 V CB -0.454 31.345 31.823 -0.041 0.000 0.656 48 V HN 1.047 nan 8.190 nan 0.000 0.451 49 C N -2.295 116.964 119.300 -0.069 0.000 3.271 49 C HA 0.551 5.013 4.460 0.003 0.000 0.353 49 C C -1.376 173.541 174.990 -0.121 0.000 1.510 49 C CA -1.240 57.727 59.018 -0.086 0.000 1.149 49 C CB 1.138 28.822 27.740 -0.095 0.000 1.713 49 C HN 0.374 nan 8.230 nan 0.000 0.421 50 E N 0.246 120.363 120.200 -0.139 0.000 2.238 50 E HA 0.705 5.057 4.350 0.003 0.000 0.267 50 E C -1.314 175.129 176.600 -0.262 0.000 0.887 50 E CA -0.623 55.664 56.400 -0.189 0.000 0.769 50 E CB 2.426 32.065 29.700 -0.101 0.000 1.187 50 E HN 0.560 nan 8.360 nan 0.000 0.416 51 V N 2.396 122.015 119.914 -0.492 0.000 2.680 51 V HA 0.148 4.270 4.120 0.003 0.000 0.309 51 V C -0.198 175.750 176.094 -0.242 0.000 1.052 51 V CA -1.143 60.873 62.300 -0.473 0.000 0.908 51 V CB 1.912 33.264 31.823 -0.786 0.000 1.001 51 V HN 0.603 nan 8.190 nan 0.000 0.431 52 Q N 2.806 122.618 119.800 0.019 0.000 2.247 52 Q HA 0.051 4.393 4.340 0.003 0.000 0.288 52 Q C 0.157 176.370 176.000 0.356 0.000 1.079 52 Q CA 0.458 56.361 55.803 0.167 0.000 0.932 52 Q CB 0.447 29.283 28.738 0.164 0.000 1.133 52 Q HN 0.785 nan 8.270 nan 0.000 0.377 53 E N 1.671 122.111 120.200 0.401 0.000 2.105 53 E HA 0.365 4.718 4.350 0.003 0.000 0.285 53 E C -0.945 175.763 176.600 0.180 0.000 1.055 53 E CA -0.371 56.240 56.400 0.352 0.000 0.843 53 E CB 0.653 30.534 29.700 0.302 0.000 1.067 53 E HN 0.583 nan 8.360 nan 0.000 0.398 54 A N 4.644 127.542 122.820 0.129 0.000 2.302 54 A HA 0.341 4.663 4.320 0.003 0.000 0.285 54 A C -0.180 177.447 177.584 0.071 0.000 1.105 54 A CA -0.435 51.662 52.037 0.100 0.000 0.816 54 A CB 1.014 20.074 19.000 0.099 0.000 1.067 54 A HN 0.807 nan 8.150 nan 0.000 0.489 55 D N -0.568 119.875 120.400 0.072 0.000 2.744 55 D HA 0.251 4.893 4.640 0.003 0.000 0.304 55 D C 0.643 176.981 176.300 0.064 0.000 1.179 55 D CA -0.633 53.406 54.000 0.066 0.000 1.024 55 D CB 1.125 41.965 40.800 0.066 0.000 1.453 55 D HN 0.263 nan 8.370 nan 0.000 0.529 56 K N -0.100 120.336 120.400 0.059 0.000 2.066 56 K HA -0.165 4.157 4.320 0.003 0.000 0.221 56 K C 1.955 178.598 176.600 0.071 0.000 1.056 56 K CA 1.712 58.036 56.287 0.061 0.000 0.950 56 K CB -0.910 31.613 32.500 0.039 0.000 0.726 56 K HN 0.302 nan 8.250 nan 0.000 0.456 57 V N 2.115 122.064 119.914 0.058 0.000 2.332 57 V HA -0.253 3.869 4.120 0.003 0.000 0.248 57 V C 2.007 178.137 176.094 0.059 0.000 1.055 57 V CA 2.195 64.528 62.300 0.056 0.000 1.038 57 V CB -0.522 31.329 31.823 0.046 0.000 0.651 57 V HN 0.275 nan 8.190 nan 0.000 0.450 58 D N 0.197 120.631 120.400 0.057 0.000 2.144 58 D HA -0.125 4.517 4.640 0.003 0.000 0.199 58 D C 2.186 178.510 176.300 0.041 0.000 0.984 58 D CA 1.174 55.203 54.000 0.049 0.000 0.834 58 D CB -0.141 40.695 40.800 0.060 0.000 0.955 58 D HN 0.310 nan 8.370 nan 0.000 0.465 59 I N 1.581 122.186 120.570 0.059 0.000 2.335 59 I HA -0.219 3.953 4.170 0.003 0.000 0.251 59 I C 1.683 177.823 176.117 0.039 0.000 1.129 59 I CA 1.284 62.617 61.300 0.055 0.000 1.402 59 I CB -0.836 37.228 38.000 0.108 0.000 1.069 59 I HN -0.105 nan 8.210 nan 0.000 0.424 60 D N 0.932 121.399 120.400 0.111 0.000 2.097 60 D HA -0.144 4.498 4.640 0.003 0.000 0.197 60 D C 2.262 178.583 176.300 0.034 0.000 0.984 60 D CA 1.173 55.266 54.000 0.154 0.000 0.826 60 D CB -0.027 40.874 40.800 0.168 0.000 0.973 60 D HN 0.285 nan 8.370 nan 0.000 0.460 61 K N 0.464 120.875 120.400 0.017 0.000 2.057 61 K HA -0.045 4.277 4.320 0.003 0.000 0.207 61 K C 2.166 178.735 176.600 -0.053 0.000 1.049 61 K CA 1.113 57.391 56.287 -0.014 0.000 0.931 61 K CB -0.164 32.328 32.500 -0.013 0.000 0.714 61 K HN 0.045 nan 8.250 nan 0.000 0.440 62 A N 1.238 124.022 122.820 -0.061 0.000 1.908 62 A HA -0.154 4.168 4.320 0.003 0.000 0.218 62 A C 2.408 179.922 177.584 -0.118 0.000 1.181 62 A CA 1.670 53.652 52.037 -0.092 0.000 0.627 62 A CB -0.754 18.204 19.000 -0.070 0.000 0.818 62 A HN 0.091 nan 8.150 nan 0.000 0.445 63 V N -0.233 119.587 119.914 -0.156 0.000 2.427 63 V HA -0.280 3.842 4.120 0.003 0.000 0.248 63 V C 2.601 178.620 176.094 -0.125 0.000 1.051 63 V CA 2.105 64.274 62.300 -0.218 0.000 1.048 63 V CB -0.855 30.657 31.823 -0.518 0.000 0.666 63 V HN 0.637 nan 8.190 nan 0.000 0.456 64 Q N -0.013 119.740 119.800 -0.078 0.000 2.050 64 Q HA -0.169 4.173 4.340 0.003 0.000 0.202 64 Q C 2.454 178.435 176.000 -0.031 0.000 0.980 64 Q CA 1.824 57.608 55.803 -0.031 0.000 0.840 64 Q CB -0.416 28.316 28.738 -0.011 0.000 0.898 64 Q HN 0.661 nan 8.270 nan 0.000 0.424 65 A N 1.069 123.855 122.820 -0.057 0.000 1.933 65 A HA -0.116 4.206 4.320 0.003 0.000 0.218 65 A C 2.287 179.841 177.584 -0.050 0.000 1.175 65 A CA 1.545 53.543 52.037 -0.065 0.000 0.628 65 A CB -0.738 18.193 19.000 -0.114 0.000 0.814 65 A HN 0.400 nan 8.150 nan 0.000 0.444 66 A N -0.276 122.506 122.820 -0.063 0.000 1.902 66 A HA -0.154 4.168 4.320 0.003 0.000 0.217 66 A C 2.213 179.821 177.584 0.039 0.000 1.181 66 A CA 2.000 54.010 52.037 -0.045 0.000 0.623 66 A CB -0.414 18.534 19.000 -0.087 0.000 0.818 66 A HN 0.477 nan 8.150 nan 0.000 0.443 67 R N -0.951 119.572 120.500 0.039 0.000 2.090 67 R HA -0.024 4.318 4.340 0.003 0.000 0.228 67 R C 1.933 178.316 176.300 0.139 0.000 1.110 67 R CA 1.270 57.439 56.100 0.115 0.000 0.973 67 R CB -0.530 29.814 30.300 0.073 0.000 0.869 67 R HN 0.434 nan 8.270 nan 0.000 0.440 68 L N 0.160 121.429 121.223 0.076 0.000 2.017 68 L HA 0.035 4.377 4.340 0.003 0.000 0.208 68 L C 2.033 178.957 176.870 0.090 0.000 1.073 68 L CA 2.209 57.088 54.840 0.064 0.000 0.745 68 L CB -0.892 41.183 42.059 0.027 0.000 0.894 68 L HN 0.239 nan 8.230 nan 0.000 0.432 69 A N -1.690 121.186 122.820 0.094 0.000 2.131 69 A HA -0.239 4.083 4.320 0.003 0.000 0.220 69 A C 2.028 179.777 177.584 0.275 0.000 1.158 69 A CA 1.697 53.811 52.037 0.129 0.000 0.665 69 A CB -0.950 18.075 19.000 0.043 0.000 0.795 69 A HN 0.547 nan 8.150 nan 0.000 0.460 70 F N 0.762 120.781 119.950 0.113 0.000 2.695 70 F HA 0.202 4.731 4.527 0.004 0.000 0.303 70 F C 1.305 177.166 175.800 0.102 0.000 1.091 70 F CA 0.014 58.107 58.000 0.155 0.000 1.300 70 F CB -0.077 39.000 39.000 0.127 0.000 1.071 70 F HN 0.175 nan 8.300 nan 0.000 0.578 71 S N 0.402 116.106 115.700 0.007 0.000 2.589 71 S HA 0.055 4.527 4.470 0.003 0.000 0.265 71 S C 1.531 176.047 174.600 -0.139 0.000 1.342 71 S CA -0.498 57.660 58.200 -0.069 0.000 1.005 71 S CB 0.538 63.741 63.200 0.005 0.000 0.909 71 S HN 0.345 nan 8.310 nan 0.000 0.555 72 L N 1.211 122.361 121.223 -0.122 0.000 2.081 72 L HA -0.080 4.262 4.340 0.003 0.000 0.212 72 L C 2.782 179.611 176.870 -0.068 0.000 1.080 72 L CA 1.595 56.368 54.840 -0.111 0.000 0.754 72 L CB -1.459 40.556 42.059 -0.074 0.000 0.893 72 L HN 0.992 nan 8.230 nan 0.000 0.433 73 G N -0.914 107.864 108.800 -0.037 0.000 2.404 73 G HA2 -0.214 3.748 3.960 0.003 0.000 0.215 73 G HA3 -0.214 3.748 3.960 0.003 0.000 0.215 73 G C 0.857 175.755 174.900 -0.004 0.000 1.174 73 G CA 0.498 45.588 45.100 -0.016 0.000 0.780 73 G HN 0.335 nan 8.290 nan 0.000 0.537 74 S N -0.838 114.867 115.700 0.009 0.000 3.028 74 S HA -0.129 4.343 4.470 0.003 0.000 0.367 74 S C 1.578 176.223 174.600 0.075 0.000 1.192 74 S CA 0.323 58.556 58.200 0.055 0.000 0.959 74 S CB 0.509 63.757 63.200 0.080 0.000 0.637 74 S HN 0.206 nan 8.310 nan 0.000 0.461 75 V N 6.485 126.471 119.914 0.120 0.000 2.719 75 V HA -0.064 4.058 4.120 0.003 0.000 0.252 75 V C 1.766 177.993 176.094 0.220 0.000 1.065 75 V CA 1.729 64.109 62.300 0.132 0.000 1.086 75 V CB -0.680 31.222 31.823 0.133 0.000 0.700 75 V HN 1.003 nan 8.190 nan 0.000 0.467 76 W N 0.267 121.591 121.300 0.039 0.000 2.678 76 W HA -0.031 4.631 4.660 0.003 0.000 0.256 76 W C 2.218 178.768 176.519 0.051 0.000 1.280 76 W CA 0.298 57.686 57.345 0.072 0.000 1.345 76 W CB 0.179 29.709 29.460 0.117 0.000 1.118 76 W HN 0.142 nan 8.180 nan 0.000 0.629 77 R N 0.077 120.584 120.500 0.012 0.000 2.189 77 R HA 0.082 4.424 4.340 0.003 0.000 0.203 77 R C 1.861 178.075 176.300 -0.143 0.000 1.012 77 R CA 0.426 56.433 56.100 -0.154 0.000 1.015 77 R CB -0.106 30.077 30.300 -0.194 0.000 0.938 77 R HN 0.257 nan 8.270 nan 0.000 0.472 78 R N -0.382 120.070 120.500 -0.080 0.000 2.290 78 R HA 0.237 4.579 4.340 0.003 0.000 0.197 78 R C 0.958 177.218 176.300 -0.067 0.000 0.913 78 R CA -0.205 55.856 56.100 -0.064 0.000 1.040 78 R CB 0.288 30.570 30.300 -0.031 0.000 0.992 78 R HN 0.033 nan 8.270 nan 0.000 0.500 79 M N 2.489 122.040 119.600 -0.081 0.000 2.269 79 M HA -0.023 4.459 4.480 0.003 0.000 0.350 79 M C -0.686 175.544 176.300 -0.118 0.000 1.429 79 M CA 0.375 55.627 55.300 -0.080 0.000 1.063 79 M CB 0.493 33.051 32.600 -0.070 0.000 1.841 79 M HN -0.042 nan 8.290 nan 0.000 0.455 80 D N 3.927 124.283 120.400 -0.073 0.000 2.478 80 D HA 0.009 4.651 4.640 0.003 0.000 0.234 80 D C 0.832 177.077 176.300 -0.091 0.000 1.154 80 D CA 0.594 54.554 54.000 -0.067 0.000 0.874 80 D CB 0.901 41.678 40.800 -0.038 0.000 1.198 80 D HN 0.784 nan 8.370 nan 0.000 0.455 81 A N 1.929 124.701 122.820 -0.079 0.000 1.902 81 A HA -0.195 4.127 4.320 0.003 0.000 0.217 81 A C 2.109 179.667 177.584 -0.044 0.000 1.181 81 A CA 2.052 54.042 52.037 -0.079 0.000 0.623 81 A CB -0.643 18.329 19.000 -0.047 0.000 0.818 81 A HN 0.597 nan 8.150 nan 0.000 0.443 82 S N -0.477 115.206 115.700 -0.028 0.000 2.440 82 S HA -0.208 4.264 4.470 0.003 0.000 0.238 82 S C 1.699 176.293 174.600 -0.010 0.000 1.010 82 S CA 1.549 59.741 58.200 -0.014 0.000 0.972 82 S CB -0.328 62.864 63.200 -0.013 0.000 0.774 82 S HN 0.685 nan 8.310 nan 0.000 0.501 83 E N 0.995 121.183 120.200 -0.020 0.000 2.112 83 E HA 0.012 4.364 4.350 0.003 0.000 0.190 83 E C 2.426 179.036 176.600 0.016 0.000 0.979 83 E CA 0.327 56.721 56.400 -0.009 0.000 0.814 83 E CB 0.021 29.713 29.700 -0.013 0.000 0.762 83 E HN 0.538 nan 8.360 nan 0.000 0.460 84 R N -0.334 120.170 120.500 0.005 0.000 2.105 84 R HA -0.110 4.232 4.340 0.003 0.000 0.239 84 R C 2.392 178.786 176.300 0.155 0.000 1.135 84 R CA 1.168 57.332 56.100 0.107 0.000 0.967 84 R CB -0.402 29.878 30.300 -0.032 0.000 0.861 84 R HN 0.185 nan 8.270 nan 0.000 0.442 85 G N 0.956 109.808 108.800 0.087 0.000 2.421 85 G HA2 -0.237 3.725 3.960 0.003 0.000 0.216 85 G HA3 -0.237 3.725 3.960 0.003 0.000 0.216 85 G C 1.437 176.378 174.900 0.069 0.000 1.171 85 G CA 0.175 45.329 45.100 0.091 0.000 0.775 85 G HN 0.148 nan 8.290 nan 0.000 0.543 86 R N -0.071 120.448 120.500 0.030 0.000 2.091 86 R HA 0.027 4.369 4.340 0.003 0.000 0.238 86 R C 2.640 178.928 176.300 -0.020 0.000 1.136 86 R CA 0.797 56.900 56.100 0.005 0.000 0.959 86 R CB -0.714 29.580 30.300 -0.011 0.000 0.856 86 R HN 0.386 nan 8.270 nan 0.000 0.437 87 L N 0.411 121.598 121.223 -0.061 0.000 2.093 87 L HA -0.144 4.198 4.340 0.003 0.000 0.208 87 L C 2.469 179.294 176.870 -0.074 0.000 1.085 87 L CA 0.907 55.589 54.840 -0.264 0.000 0.755 87 L CB -0.332 41.364 42.059 -0.604 0.000 0.904 87 L HN 0.148 nan 8.230 nan 0.000 0.435 88 L N -0.505 120.819 121.223 0.168 0.000 2.093 88 L HA -0.231 4.111 4.340 0.003 0.000 0.208 88 L C 2.067 179.050 176.870 0.188 0.000 1.085 88 L CA 1.223 56.243 54.840 0.301 0.000 0.755 88 L CB -0.358 41.879 42.059 0.297 0.000 0.904 88 L HN 0.269 nan 8.230 nan 0.000 0.435 89 D N -0.112 120.357 120.400 0.115 0.000 2.149 89 D HA -0.201 4.441 4.640 0.003 0.000 0.201 89 D C 2.169 178.508 176.300 0.065 0.000 0.972 89 D CA 0.912 54.962 54.000 0.085 0.000 0.835 89 D CB 0.227 41.059 40.800 0.054 0.000 0.966 89 D HN 0.021 nan 8.370 nan 0.000 0.476 90 K N -0.372 120.049 120.400 0.035 0.000 2.097 90 K HA -0.100 4.222 4.320 0.003 0.000 0.205 90 K C 1.952 178.587 176.600 0.058 0.000 1.050 90 K CA 0.697 56.996 56.287 0.020 0.000 0.938 90 K CB -0.232 32.248 32.500 -0.034 0.000 0.718 90 K HN 0.107 nan 8.250 nan 0.000 0.442 91 L N 0.823 122.112 121.223 0.109 0.000 2.046 91 L HA -0.035 4.307 4.340 0.003 0.000 0.208 91 L C 2.119 179.064 176.870 0.125 0.000 1.077 91 L CA 2.098 57.038 54.840 0.167 0.000 0.747 91 L CB -0.893 41.355 42.059 0.315 0.000 0.896 91 L HN 0.242 nan 8.230 nan 0.000 0.432 92 A N -0.937 121.955 122.820 0.120 0.000 1.972 92 A HA -0.209 4.113 4.320 0.003 0.000 0.219 92 A C 1.967 179.595 177.584 0.072 0.000 1.169 92 A CA 1.829 53.924 52.037 0.098 0.000 0.635 92 A CB -0.732 18.330 19.000 0.103 0.000 0.810 92 A HN 0.531 nan 8.150 nan 0.000 0.446 93 D N 0.132 120.572 120.400 0.067 0.000 2.117 93 D HA -0.087 4.555 4.640 0.003 0.000 0.198 93 D C 1.921 178.256 176.300 0.058 0.000 0.982 93 D CA 0.988 55.021 54.000 0.055 0.000 0.828 93 D CB -0.335 40.493 40.800 0.047 0.000 0.967 93 D HN 0.462 nan 8.370 nan 0.000 0.464 94 L N 0.354 121.615 121.223 0.064 0.000 2.201 94 L HA -0.099 4.243 4.340 0.003 0.000 0.212 94 L C 2.393 179.314 176.870 0.084 0.000 1.105 94 L CA 0.391 55.273 54.840 0.069 0.000 0.775 94 L CB -0.204 41.892 42.059 0.061 0.000 0.913 94 L HN -0.062 nan 8.230 nan 0.000 0.440 95 V N -0.265 119.693 119.914 0.074 0.000 2.548 95 V HA -0.211 3.911 4.120 0.003 0.000 0.249 95 V C 2.437 178.552 176.094 0.036 0.000 1.055 95 V CA 1.608 63.946 62.300 0.063 0.000 1.065 95 V CB -0.188 31.662 31.823 0.045 0.000 0.681 95 V HN 0.393 nan 8.190 nan 0.000 0.462 96 E N 0.672 120.893 120.200 0.035 0.000 2.107 96 E HA -0.189 4.163 4.350 0.003 0.000 0.191 96 E C 2.358 178.991 176.600 0.055 0.000 0.982 96 E CA 1.188 57.602 56.400 0.023 0.000 0.809 96 E CB -0.264 29.456 29.700 0.033 0.000 0.756 96 E HN 0.435 nan 8.360 nan 0.000 0.459 97 R N 0.080 120.622 120.500 0.070 0.000 2.081 97 R HA -0.112 4.230 4.340 0.003 0.000 0.235 97 R C 0.313 176.673 176.300 0.101 0.000 1.131 97 R CA 1.777 57.927 56.100 0.084 0.000 0.960 97 R CB -0.020 30.329 30.300 0.081 0.000 0.856 97 R HN 0.124 nan 8.270 nan 0.000 0.436 98 D N -0.483 119.986 120.400 0.115 0.000 2.388 98 D HA 0.032 4.674 4.640 0.003 0.000 0.221 98 D C 1.119 177.462 176.300 0.071 0.000 1.133 98 D CA -0.073 54.001 54.000 0.124 0.000 0.831 98 D CB 0.137 41.085 40.800 0.246 0.000 0.962 98 D HN 0.197 nan 8.370 nan 0.000 0.502 99 R N 1.184 121.724 120.500 0.067 0.000 2.140 99 R HA -0.259 4.083 4.340 0.003 0.000 0.250 99 R C 1.782 178.158 176.300 0.126 0.000 1.150 99 R CA 1.850 57.953 56.100 0.006 0.000 0.966 99 R CB 0.031 30.285 30.300 -0.075 0.000 0.869 99 R HN 0.179 nan 8.270 nan 0.000 0.445 100 A N -0.375 122.607 122.820 0.269 0.000 1.841 100 A HA -0.166 4.156 4.320 0.003 0.000 0.214 100 A C 2.287 179.984 177.584 0.188 0.000 1.195 100 A CA 2.016 54.257 52.037 0.340 0.000 0.611 100 A CB -1.266 17.871 19.000 0.229 0.000 0.835 100 A HN 0.603 nan 8.150 nan 0.000 0.443 101 T N -1.204 113.371 114.554 0.034 0.000 2.803 101 T HA -0.110 4.242 4.350 0.003 0.000 0.269 101 T C 1.829 176.419 174.700 -0.183 0.000 1.052 101 T CA 1.686 63.731 62.100 -0.092 0.000 1.136 101 T CB -0.440 68.323 68.868 -0.175 0.000 0.864 101 T HN 0.280 nan 8.240 nan 0.000 0.467 102 L N 0.390 121.494 121.223 -0.199 0.000 2.044 102 L HA 0.169 4.511 4.340 0.003 0.000 0.205 102 L C 3.274 180.103 176.870 -0.068 0.000 1.075 102 L CA 1.179 55.892 54.840 -0.212 0.000 0.747 102 L CB -0.672 41.297 42.059 -0.150 0.000 0.903 102 L HN 0.419 nan 8.230 nan 0.000 0.435 103 A N -0.889 121.929 122.820 -0.004 0.000 2.019 103 A HA -0.179 4.143 4.320 0.003 0.000 0.219 103 A C 2.249 179.936 177.584 0.171 0.000 1.164 103 A CA 2.121 54.154 52.037 -0.007 0.000 0.644 103 A CB -0.736 18.201 19.000 -0.106 0.000 0.805 103 A HN 0.409 nan 8.150 nan 0.000 0.449 104 T N -0.150 114.589 114.554 0.309 0.000 2.737 104 T HA -0.111 4.241 4.350 0.003 0.000 0.265 104 T C 1.943 176.803 174.700 0.268 0.000 1.038 104 T CA 1.665 63.998 62.100 0.388 0.000 1.144 104 T CB -0.277 68.693 68.868 0.170 0.000 0.866 104 T HN 0.449 nan 8.240 nan 0.000 0.434 105 M N 0.657 120.318 119.600 0.103 0.000 2.159 105 M HA -0.107 4.375 4.480 0.003 0.000 0.263 105 M C 2.396 178.735 176.300 0.064 0.000 1.063 105 M CA 1.393 56.725 55.300 0.054 0.000 1.110 105 M CB -0.263 32.319 32.600 -0.031 0.000 1.374 105 M HN 0.077 nan 8.290 nan 0.000 0.411 106 E N -0.312 119.923 120.200 0.058 0.000 2.204 106 E HA -0.136 4.216 4.350 0.003 0.000 0.195 106 E C 2.070 178.714 176.600 0.074 0.000 0.990 106 E CA 1.191 57.618 56.400 0.045 0.000 0.821 106 E CB -0.013 29.698 29.700 0.019 0.000 0.750 106 E HN 0.297 nan 8.360 nan 0.000 0.477 107 S N -0.839 114.959 115.700 0.163 0.000 2.371 107 S HA 0.029 4.501 4.470 0.003 0.000 0.219 107 S C 1.704 176.352 174.600 0.081 0.000 1.040 107 S CA 0.384 58.705 58.200 0.201 0.000 0.958 107 S CB -0.347 63.154 63.200 0.502 0.000 0.860 107 S HN 0.320 nan 8.310 nan 0.000 0.487 108 L N 2.473 123.775 121.223 0.133 0.000 1.989 108 L HA -0.117 4.225 4.340 0.003 0.000 0.211 108 L C 2.165 179.010 176.870 -0.042 0.000 1.071 108 L CA 2.211 57.039 54.840 -0.021 0.000 0.749 108 L CB -1.481 40.662 42.059 0.140 0.000 0.890 108 L HN 0.407 nan 8.230 nan 0.000 0.431 109 N N -0.045 118.657 118.700 0.005 0.000 2.300 109 N HA -0.070 4.672 4.740 0.003 0.000 0.179 109 N C 1.581 177.084 175.510 -0.011 0.000 1.016 109 N CA 1.366 54.414 53.050 -0.004 0.000 0.876 109 N CB 0.092 38.586 38.487 0.012 0.000 0.979 109 N HN 0.438 nan 8.380 nan 0.000 0.432 110 G N -1.697 107.099 108.800 -0.008 0.000 3.192 110 G HA2 0.292 4.254 3.960 0.003 0.000 0.239 110 G HA3 0.292 4.254 3.960 0.003 0.000 0.239 110 G C 0.710 175.574 174.900 -0.059 0.000 1.084 110 G CA 0.282 45.369 45.100 -0.021 0.000 0.784 110 G HN 0.441 nan 8.290 nan 0.000 0.540 111 G N 0.248 109.009 108.800 -0.066 0.000 2.221 111 G HA2 -0.293 3.669 3.960 0.003 0.000 0.265 111 G HA3 -0.293 3.669 3.960 0.003 0.000 0.265 111 G C 0.182 175.038 174.900 -0.072 0.000 1.041 111 G CA 0.624 45.666 45.100 -0.098 0.000 0.807 111 G HN 0.665 nan 8.290 nan 0.000 0.502 112 K N 1.058 121.445 120.400 -0.023 0.000 2.211 112 K HA 0.469 4.791 4.320 0.003 0.000 0.275 112 K C -2.056 174.592 176.600 0.081 0.000 1.024 112 K CA -2.421 53.860 56.287 -0.010 0.000 0.887 112 K CB 1.480 33.957 32.500 -0.039 0.000 1.084 112 K HN -0.028 nan 8.250 nan 0.000 0.463 113 P HA -0.162 nan 4.420 nan 0.000 0.253 113 P C 0.378 177.819 177.300 0.235 0.000 1.159 113 P CA 0.390 63.601 63.100 0.184 0.000 0.779 113 P CB 0.088 31.885 31.700 0.162 0.000 0.745 114 F N 5.196 125.254 119.950 0.180 0.000 2.053 114 F HA -0.308 4.221 4.527 0.003 0.000 0.295 114 F C 2.118 178.001 175.800 0.138 0.000 1.102 114 F CA 1.871 59.970 58.000 0.166 0.000 1.225 114 F CB -0.627 38.458 39.000 0.142 0.000 0.961 114 F HN 0.166 nan 8.300 nan 0.000 0.495 115 L N -0.435 120.912 121.223 0.208 0.000 2.129 115 L HA -0.275 4.067 4.340 0.003 0.000 0.212 115 L C 2.357 179.317 176.870 0.150 0.000 1.087 115 L CA 1.808 56.723 54.840 0.125 0.000 0.757 115 L CB -0.960 41.255 42.059 0.260 0.000 0.896 115 L HN 0.428 nan 8.230 nan 0.000 0.434 116 Q N -0.690 119.209 119.800 0.166 0.000 2.137 116 Q HA -0.056 4.286 4.340 0.003 0.000 0.198 116 Q C 2.437 178.521 176.000 0.141 0.000 0.960 116 Q CA 1.191 57.127 55.803 0.221 0.000 0.847 116 Q CB -0.095 28.805 28.738 0.271 0.000 0.915 116 Q HN 0.504 nan 8.270 nan 0.000 0.448 117 A N 0.552 123.388 122.820 0.027 0.000 1.930 117 A HA -0.172 4.150 4.320 0.003 0.000 0.217 117 A C 1.824 179.320 177.584 -0.148 0.000 1.175 117 A CA 0.988 53.003 52.037 -0.037 0.000 0.627 117 A CB -0.611 18.355 19.000 -0.056 0.000 0.815 117 A HN 0.410 nan 8.150 nan 0.000 0.443 118 F N -1.350 118.310 119.950 -0.482 0.000 2.163 118 F HA -0.061 4.468 4.527 0.003 0.000 0.297 118 F C 1.914 177.534 175.800 -0.300 0.000 1.094 118 F CA 1.454 59.113 58.000 -0.568 0.000 1.290 118 F CB -0.026 38.369 39.000 -1.009 0.000 1.017 118 F HN 0.265 nan 8.300 nan 0.000 0.483 119 Y N -0.467 119.877 120.300 0.073 0.000 2.503 119 Y HA 0.156 4.708 4.550 0.003 0.000 0.278 119 Y C 1.838 177.744 175.900 0.009 0.000 1.111 119 Y CA 0.404 58.539 58.100 0.058 0.000 1.270 119 Y CB -0.180 38.369 38.460 0.149 0.000 1.063 119 Y HN 0.051 nan 8.280 nan 0.000 0.548 120 I N -1.259 119.420 120.570 0.181 0.000 3.578 120 I HA -0.046 4.126 4.170 0.003 0.000 0.238 120 I C 1.535 177.701 176.117 0.082 0.000 1.080 120 I CA 0.375 61.761 61.300 0.144 0.000 1.538 120 I CB -0.219 37.918 38.000 0.228 0.000 1.477 120 I HN -0.150 nan 8.210 nan 0.000 0.464 121 D N 1.604 122.066 120.400 0.103 0.000 2.137 121 D HA -0.220 4.422 4.640 0.003 0.000 0.189 121 D C 2.057 178.312 176.300 -0.074 0.000 0.998 121 D CA 1.661 55.680 54.000 0.031 0.000 0.839 121 D CB -0.436 40.409 40.800 0.075 0.000 0.962 121 D HN 0.090 nan 8.370 nan 0.000 0.446 122 L N 0.291 121.441 121.223 -0.122 0.000 2.191 122 L HA -0.173 4.169 4.340 0.003 0.000 0.212 122 L C 2.374 179.151 176.870 -0.154 0.000 1.103 122 L CA 1.194 55.925 54.840 -0.181 0.000 0.769 122 L CB -0.317 41.556 42.059 -0.310 0.000 0.908 122 L HN 0.102 nan 8.230 nan 0.000 0.438 123 Q N -0.706 119.026 119.800 -0.113 0.000 2.084 123 Q HA -0.183 4.159 4.340 0.003 0.000 0.202 123 Q C 2.168 178.159 176.000 -0.015 0.000 0.978 123 Q CA 1.668 57.441 55.803 -0.052 0.000 0.844 123 Q CB -0.305 28.438 28.738 0.008 0.000 0.898 123 Q HN 0.541 nan 8.270 nan 0.000 0.426 124 G N 0.074 108.863 108.800 -0.019 0.000 2.421 124 G HA2 -0.225 3.737 3.960 0.003 0.000 0.216 124 G HA3 -0.225 3.737 3.960 0.003 0.000 0.216 124 G C 1.446 176.327 174.900 -0.032 0.000 1.171 124 G CA 1.004 46.106 45.100 0.003 0.000 0.775 124 G HN 0.295 nan 8.290 nan 0.000 0.543 125 V N 1.364 121.211 119.914 -0.111 0.000 2.252 125 V HA -0.243 3.879 4.120 0.003 0.000 0.249 125 V C 2.806 178.909 176.094 0.015 0.000 1.056 125 V CA 1.919 64.166 62.300 -0.088 0.000 1.022 125 V CB -0.471 31.298 31.823 -0.091 0.000 0.641 125 V HN 0.413 nan 8.190 nan 0.000 0.445 126 I N -0.854 119.721 120.570 0.009 0.000 2.202 126 I HA -0.184 3.988 4.170 0.003 0.000 0.242 126 I C 2.668 178.842 176.117 0.095 0.000 1.091 126 I CA 1.272 62.599 61.300 0.046 0.000 1.368 126 I CB -0.502 37.503 38.000 0.008 0.000 1.058 126 I HN 0.233 nan 8.210 nan 0.000 0.410 127 K N 0.638 121.094 120.400 0.093 0.000 2.009 127 K HA -0.212 4.110 4.320 0.003 0.000 0.210 127 K C 2.237 178.971 176.600 0.225 0.000 1.049 127 K CA 2.336 58.703 56.287 0.133 0.000 0.929 127 K CB -1.059 31.508 32.500 0.111 0.000 0.714 127 K HN 0.475 nan 8.250 nan 0.000 0.440 128 T N 0.091 114.808 114.554 0.272 0.000 2.788 128 T HA -0.078 4.274 4.350 0.003 0.000 0.268 128 T C 2.208 177.204 174.700 0.495 0.000 1.044 128 T CA 0.883 63.260 62.100 0.462 0.000 1.139 128 T CB -0.315 68.895 68.868 0.570 0.000 0.867 128 T HN 0.088 nan 8.240 nan 0.000 0.454 129 L N -0.058 121.354 121.223 0.314 0.000 2.046 129 L HA -0.026 4.316 4.340 0.003 0.000 0.208 129 L C 3.447 180.478 176.870 0.269 0.000 1.077 129 L CA 1.201 56.210 54.840 0.282 0.000 0.747 129 L CB -0.391 41.785 42.059 0.194 0.000 0.896 129 L HN 0.170 nan 8.230 nan 0.000 0.432 130 R N -0.788 119.844 120.500 0.220 0.000 2.073 130 R HA -0.209 4.133 4.340 0.003 0.000 0.234 130 R C 2.175 178.572 176.300 0.162 0.000 1.134 130 R CA 1.641 57.839 56.100 0.163 0.000 0.952 130 R CB -0.994 29.384 30.300 0.130 0.000 0.850 130 R HN 0.315 nan 8.270 nan 0.000 0.433 131 Y N 0.642 120.993 120.300 0.085 0.000 2.081 131 Y HA -0.308 4.244 4.550 0.004 0.000 0.280 131 Y C 2.059 177.946 175.900 -0.022 0.000 1.163 131 Y CA 1.687 59.780 58.100 -0.012 0.000 1.135 131 Y CB -0.721 37.729 38.460 -0.016 0.000 0.970 131 Y HN 0.013 nan 8.280 nan 0.000 0.498 132 Y N -0.317 120.086 120.300 0.172 0.000 2.352 132 Y HA -0.090 4.462 4.550 0.003 0.000 0.292 132 Y C 2.579 178.538 175.900 0.098 0.000 1.136 132 Y CA 0.989 59.183 58.100 0.157 0.000 1.227 132 Y CB -0.819 37.792 38.460 0.253 0.000 0.991 132 Y HN 0.272 nan 8.280 nan 0.000 0.545 133 A N -0.137 122.804 122.820 0.202 0.000 1.972 133 A HA -0.130 4.192 4.320 0.003 0.000 0.219 133 A C 2.477 180.080 177.584 0.031 0.000 1.169 133 A CA 1.689 53.809 52.037 0.137 0.000 0.635 133 A CB -1.277 17.792 19.000 0.116 0.000 0.810 133 A HN 0.446 nan 8.150 nan 0.000 0.446 134 G N -3.028 105.712 108.800 -0.099 0.000 2.744 134 G HA2 -0.053 3.909 3.960 0.003 0.000 0.211 134 G HA3 -0.053 3.909 3.960 0.003 0.000 0.211 134 G C 1.190 175.903 174.900 -0.311 0.000 1.143 134 G CA 0.359 45.315 45.100 -0.239 0.000 0.788 134 G HN 0.673 nan 8.290 nan 0.000 0.534 135 W N 0.109 121.275 121.300 -0.224 0.000 2.630 135 W HA 0.306 4.968 4.660 0.003 0.000 0.271 135 W C 2.703 179.150 176.519 -0.121 0.000 1.244 135 W CA 0.261 57.478 57.345 -0.213 0.000 1.353 135 W CB 0.332 29.652 29.460 -0.232 0.000 1.080 135 W HN 0.207 nan 8.180 nan 0.000 0.594 136 A N 1.490 124.429 122.820 0.198 0.000 1.923 136 A HA -0.359 3.963 4.320 0.003 0.000 0.222 136 A C 1.348 178.960 177.584 0.047 0.000 1.258 136 A CA 2.744 54.848 52.037 0.111 0.000 0.670 136 A CB -1.140 17.912 19.000 0.085 0.000 0.834 136 A HN 0.416 nan 8.150 nan 0.000 0.470 137 D N -1.991 118.424 120.400 0.024 0.000 2.388 137 D HA 0.150 4.792 4.640 0.003 0.000 0.221 137 D C 0.754 177.034 176.300 -0.033 0.000 1.133 137 D CA 0.255 54.253 54.000 -0.004 0.000 0.831 137 D CB 0.006 40.805 40.800 -0.002 0.000 0.962 137 D HN 0.507 nan 8.370 nan 0.000 0.502 138 K N 0.121 120.490 120.400 -0.051 0.000 2.438 138 K HA 0.304 4.626 4.320 0.003 0.000 0.205 138 K C 0.082 176.367 176.600 -0.524 0.000 1.033 138 K CA -0.343 55.802 56.287 -0.238 0.000 1.089 138 K CB 1.081 33.563 32.500 -0.031 0.000 0.857 138 K HN 0.133 nan 8.250 nan 0.000 0.522 139 I N 2.220 122.593 120.570 -0.328 0.000 2.421 139 I HA 0.035 4.207 4.170 0.003 0.000 0.291 139 I C -0.139 175.711 176.117 -0.446 0.000 1.089 139 I CA -0.027 61.063 61.300 -0.351 0.000 1.354 139 I CB 0.155 38.051 38.000 -0.174 0.000 1.413 139 I HN 0.132 nan 8.210 nan 0.000 0.513 140 H N 3.541 122.490 119.070 -0.203 0.000 2.529 140 H HA 0.625 5.183 4.556 0.003 0.000 0.348 140 H C 0.535 175.645 175.328 -0.363 0.000 1.152 140 H CA -0.728 55.203 56.048 -0.195 0.000 1.202 140 H CB 1.661 31.373 29.762 -0.082 0.000 1.562 140 H HN 0.656 nan 8.280 nan 0.000 0.515 141 G N 0.731 109.536 108.800 0.008 0.000 2.702 141 G HA2 0.608 4.570 3.960 0.003 0.000 0.254 141 G HA3 0.608 4.570 3.960 0.003 0.000 0.254 141 G C -0.727 174.247 174.900 0.122 0.000 1.380 141 G CA -0.935 44.226 45.100 0.103 0.000 1.042 141 G HN 0.654 nan 8.290 nan 0.000 0.557 142 M N -1.295 118.400 119.600 0.159 0.000 2.622 142 M HA 0.575 5.057 4.480 0.003 0.000 0.276 142 M C -0.950 175.432 176.300 0.136 0.000 1.265 142 M CA -0.941 54.430 55.300 0.119 0.000 0.850 142 M CB 2.079 34.734 32.600 0.093 0.000 1.720 142 M HN 0.512 nan 8.290 nan 0.000 0.465 143 T N 0.294 114.921 114.554 0.123 0.000 2.771 143 T HA 0.740 5.092 4.350 0.003 0.000 0.281 143 T C -0.431 174.323 174.700 0.091 0.000 0.982 143 T CA -0.692 61.489 62.100 0.135 0.000 0.978 143 T CB 0.877 69.900 68.868 0.257 0.000 0.930 143 T HN 0.528 nan 8.240 nan 0.000 0.447 144 I N 4.663 125.256 120.570 0.037 0.000 2.404 144 I HA 0.390 4.562 4.170 0.003 0.000 0.293 144 I C -2.229 173.923 176.117 0.060 0.000 0.992 144 I CA -3.358 57.963 61.300 0.035 0.000 1.149 144 I CB 1.323 39.321 38.000 -0.004 0.000 1.315 144 I HN 0.519 nan 8.210 nan 0.000 0.446 145 P HA 0.236 nan 4.420 nan 0.000 0.280 145 P C -0.598 176.747 177.300 0.074 0.000 1.300 145 P CA -0.022 63.133 63.100 0.091 0.000 0.785 145 P CB 1.126 32.871 31.700 0.074 0.000 0.874 146 V N 3.755 123.728 119.914 0.097 0.000 2.667 146 V HA 0.210 4.332 4.120 0.003 0.000 0.308 146 V C 0.426 176.598 176.094 0.129 0.000 1.048 146 V CA -0.683 61.673 62.300 0.094 0.000 0.928 146 V CB 1.803 33.676 31.823 0.084 0.000 1.004 146 V HN 0.436 nan 8.190 nan 0.000 0.444 147 D N 2.731 123.196 120.400 0.110 0.000 2.443 147 D HA 0.461 5.103 4.640 0.003 0.000 0.239 147 D C 0.585 177.006 176.300 0.201 0.000 1.136 147 D CA 1.799 55.867 54.000 0.114 0.000 0.879 147 D CB 1.074 41.923 40.800 0.081 0.000 1.195 147 D HN 1.081 nan 8.370 nan 0.000 0.443 148 G N 2.125 110.998 108.800 0.121 0.000 2.663 148 G HA2 -0.175 3.787 3.960 0.003 0.000 0.686 148 G HA3 -0.175 3.787 3.960 0.003 0.000 0.686 148 G C -0.542 174.256 174.900 -0.169 0.000 1.288 148 G CA -0.864 44.252 45.100 0.027 0.000 0.836 148 G HN 0.482 nan 8.290 nan 0.000 0.584 149 D N 0.991 121.108 120.400 -0.472 0.000 2.848 149 D HA 0.303 4.945 4.640 0.003 0.000 0.232 149 D C -0.145 175.835 176.300 -0.533 0.000 1.107 149 D CA 1.109 54.871 54.000 -0.397 0.000 1.020 149 D CB -0.288 40.309 40.800 -0.338 0.000 1.148 149 D HN 0.279 nan 8.370 nan 0.000 0.453 150 Y N -0.247 120.102 120.300 0.081 0.000 2.602 150 Y HA 0.487 5.039 4.550 0.004 0.000 0.342 150 Y C -0.422 175.596 175.900 0.197 0.000 1.029 150 Y CA -1.591 56.573 58.100 0.108 0.000 1.080 150 Y CB 1.462 39.953 38.460 0.052 0.000 1.284 150 Y HN -0.087 nan 8.280 nan 0.000 0.485 151 F N 2.130 122.222 119.950 0.237 0.000 2.659 151 F HA 0.548 5.077 4.527 0.004 0.000 0.342 151 F C -0.696 175.215 175.800 0.184 0.000 1.168 151 F CA -0.790 57.320 58.000 0.184 0.000 1.003 151 F CB 0.781 39.883 39.000 0.171 0.000 1.267 151 F HN 0.483 nan 8.300 nan 0.000 0.463 152 T N 3.213 117.529 114.554 -0.397 0.000 2.940 152 T HA 0.878 5.230 4.350 0.003 0.000 0.288 152 T C -0.920 173.451 174.700 -0.550 0.000 1.033 152 T CA -0.466 61.335 62.100 -0.498 0.000 1.033 152 T CB 2.009 70.712 68.868 -0.276 0.000 1.079 152 T HN 0.777 nan 8.240 nan 0.000 0.496 153 F N -1.377 118.297 119.950 -0.460 0.000 2.719 153 F HA 0.741 5.270 4.527 0.003 0.000 0.309 153 F C -0.685 175.032 175.800 -0.140 0.000 1.138 153 F CA -0.937 56.883 58.000 -0.300 0.000 0.943 153 F CB 1.016 39.808 39.000 -0.347 0.000 1.304 153 F HN 0.907 nan 8.300 nan 0.000 0.445 154 T N -0.469 114.192 114.554 0.178 0.000 2.930 154 T HA 0.821 5.173 4.350 0.003 0.000 0.290 154 T C -0.997 173.877 174.700 0.290 0.000 1.052 154 T CA -1.050 61.124 62.100 0.123 0.000 1.017 154 T CB 2.228 71.144 68.868 0.081 0.000 1.137 154 T HN 0.919 nan 8.240 nan 0.000 0.511 155 R N 0.778 121.415 120.500 0.229 0.000 2.538 155 R HA 0.399 4.741 4.340 0.003 0.000 0.292 155 R C -1.334 175.118 176.300 0.252 0.000 1.008 155 R CA -0.839 55.412 56.100 0.253 0.000 0.896 155 R CB 1.305 31.727 30.300 0.204 0.000 1.187 155 R HN 0.677 nan 8.270 nan 0.000 0.440 156 H N 1.661 120.764 119.070 0.056 0.000 2.620 156 H HA 0.244 4.802 4.556 0.003 0.000 0.313 156 H C -0.261 175.091 175.328 0.040 0.000 1.075 156 H CA 0.024 56.092 56.048 0.033 0.000 1.397 156 H CB 0.916 30.686 29.762 0.013 0.000 1.446 156 H HN 0.417 nan 8.280 nan 0.000 0.493 157 E N 4.243 124.519 120.200 0.126 0.000 2.336 157 E HA 0.314 4.666 4.350 0.003 0.000 0.267 157 E C -2.628 174.051 176.600 0.132 0.000 0.906 157 E CA -2.382 54.089 56.400 0.119 0.000 0.781 157 E CB 1.981 31.743 29.700 0.103 0.000 1.261 157 E HN 0.403 nan 8.360 nan 0.000 0.436 158 P HA 0.079 nan 4.420 nan 0.000 0.271 158 P C 0.593 177.991 177.300 0.163 0.000 1.216 158 P CA 0.156 63.376 63.100 0.200 0.000 0.771 158 P CB 0.971 32.870 31.700 0.332 0.000 0.864 159 I N 1.305 121.899 120.570 0.040 0.000 2.127 159 I HA -0.170 4.002 4.170 0.003 0.000 0.241 159 I C 1.651 177.672 176.117 -0.160 0.000 1.075 159 I CA 2.338 63.623 61.300 -0.026 0.000 1.334 159 I CB -0.708 37.265 38.000 -0.045 0.000 1.040 159 I HN 0.675 nan 8.210 nan 0.000 0.405 160 G N -0.568 107.926 108.800 -0.509 0.000 2.286 160 G HA2 -0.073 3.889 3.960 0.003 0.000 0.118 160 G HA3 -0.073 3.889 3.960 0.003 0.000 0.118 160 G C -0.910 173.539 174.900 -0.753 0.000 1.267 160 G CA -0.394 44.004 45.100 -1.171 0.000 1.171 160 G HN -0.109 nan 8.290 nan 0.000 0.465 161 V N 0.916 120.572 119.914 -0.431 0.000 2.470 161 V HA 0.421 4.543 4.120 0.003 0.000 0.276 161 V C 0.303 176.313 176.094 -0.141 0.000 1.040 161 V CA -0.134 62.027 62.300 -0.232 0.000 1.008 161 V CB 0.372 32.109 31.823 -0.144 0.000 0.990 161 V HN 0.799 nan 8.190 nan 0.000 0.477 162 C N 4.552 123.794 119.300 -0.097 0.000 2.345 162 C HA 0.740 5.202 4.460 0.003 0.000 0.323 162 C C 0.897 175.876 174.990 -0.019 0.000 1.276 162 C CA -0.905 58.100 59.018 -0.021 0.000 1.543 162 C CB 0.662 28.450 27.740 0.081 0.000 2.211 162 C HN 1.027 nan 8.230 nan 0.000 0.493 163 G N 2.728 111.529 108.800 0.002 0.000 2.332 163 G HA2 0.571 4.533 3.960 0.003 0.000 0.310 163 G HA3 0.571 4.533 3.960 0.003 0.000 0.310 163 G C -0.948 173.975 174.900 0.037 0.000 1.123 163 G CA -0.131 44.974 45.100 0.008 0.000 0.873 163 G HN 0.795 nan 8.290 nan 0.000 0.460 164 Q N 1.014 120.824 119.800 0.018 0.000 2.356 164 Q HA 0.563 4.905 4.340 0.003 0.000 0.270 164 Q C -1.005 175.009 176.000 0.023 0.000 1.058 164 Q CA -0.570 55.246 55.803 0.021 0.000 0.802 164 Q CB 3.073 31.790 28.738 -0.036 0.000 1.303 164 Q HN 0.497 nan 8.270 nan 0.000 0.444 165 I N 4.374 124.959 120.570 0.025 0.000 2.497 165 I HA 0.407 4.579 4.170 0.003 0.000 0.284 165 I C -0.587 175.435 176.117 -0.158 0.000 1.060 165 I CA -0.850 60.453 61.300 0.005 0.000 1.071 165 I CB 1.319 39.407 38.000 0.147 0.000 1.216 165 I HN 0.527 nan 8.210 nan 0.000 0.442 166 I N 5.450 125.956 120.570 -0.107 0.000 2.957 166 I HA 0.763 4.935 4.170 0.003 0.000 0.310 166 I C -2.810 173.230 176.117 -0.129 0.000 1.063 166 I CA -2.372 58.836 61.300 -0.154 0.000 1.033 166 I CB 1.611 39.592 38.000 -0.031 0.000 1.230 166 I HN 0.205 nan 8.210 nan 0.000 0.447 167 P HA 0.229 nan 4.420 nan 0.000 0.312 167 P C 0.266 177.477 177.300 -0.147 0.000 1.308 167 P CA -0.049 62.903 63.100 -0.247 0.000 0.743 167 P CB 0.726 32.150 31.700 -0.460 0.000 1.364 168 W N -1.400 119.896 121.300 -0.008 0.000 3.278 168 W HA 0.218 4.879 4.660 0.001 0.000 0.308 168 W C 0.967 177.435 176.519 -0.085 0.000 1.253 168 W CA -0.261 57.069 57.345 -0.025 0.000 1.759 168 W CB -1.631 27.811 29.460 -0.029 0.000 1.093 168 W HN 0.174 nan 8.180 nan 0.000 0.648 169 N N 1.281 119.720 118.700 -0.435 0.000 2.069 169 N HA -0.172 4.570 4.740 0.003 0.000 0.191 169 N C -0.423 174.720 175.510 -0.612 0.000 1.031 169 N CA 1.585 54.351 53.050 -0.472 0.000 0.852 169 N CB -0.409 37.824 38.487 -0.424 0.000 1.018 169 N HN 0.060 nan 8.380 nan 0.000 0.423 170 F N -1.003 118.942 119.950 -0.009 0.000 2.872 170 F HA 0.329 4.858 4.527 0.003 0.000 0.363 170 F C -2.028 173.757 175.800 -0.025 0.000 1.357 170 F CA -1.603 56.386 58.000 -0.018 0.000 1.174 170 F CB 1.849 40.828 39.000 -0.036 0.000 1.860 170 F HN -0.167 nan 8.300 nan 0.000 0.615 171 P HA -0.281 nan 4.420 nan 0.000 0.218 171 P C 1.998 179.348 177.300 0.083 0.000 1.165 171 P CA 1.397 64.556 63.100 0.100 0.000 0.922 171 P CB 0.451 32.198 31.700 0.079 0.000 0.794 172 L N -1.526 119.711 121.223 0.022 0.000 2.005 172 L HA -0.092 4.250 4.340 0.003 0.000 0.207 172 L C 2.429 179.274 176.870 -0.041 0.000 1.072 172 L CA 1.592 56.413 54.840 -0.031 0.000 0.744 172 L CB -1.409 40.606 42.059 -0.073 0.000 0.895 172 L HN -0.120 nan 8.230 nan 0.000 0.433 173 L N -1.346 119.783 121.223 -0.157 0.000 1.990 173 L HA -0.321 4.021 4.340 0.003 0.000 0.213 173 L C 2.609 179.208 176.870 -0.451 0.000 1.072 173 L CA 1.737 56.258 54.840 -0.532 0.000 0.755 173 L CB -0.381 41.208 42.059 -0.784 0.000 0.889 173 L HN 0.352 nan 8.230 nan 0.000 0.432 174 M N -1.279 118.280 119.600 -0.068 0.000 2.080 174 M HA -0.286 4.196 4.480 0.003 0.000 0.260 174 M C 2.348 178.747 176.300 0.164 0.000 1.068 174 M CA 1.822 57.232 55.300 0.183 0.000 1.109 174 M CB -1.427 31.286 32.600 0.187 0.000 1.342 174 M HN 0.230 nan 8.290 nan 0.000 0.405 175 F N 1.483 121.422 119.950 -0.018 0.000 2.161 175 F HA -0.216 4.313 4.527 0.003 0.000 0.300 175 F C 2.142 177.914 175.800 -0.047 0.000 1.089 175 F CA 1.908 59.891 58.000 -0.027 0.000 1.282 175 F CB -0.450 38.529 39.000 -0.034 0.000 1.010 175 F HN 0.144 nan 8.300 nan 0.000 0.485 176 T N -0.757 113.917 114.554 0.200 0.000 2.770 176 T HA -0.180 4.172 4.350 0.003 0.000 0.258 176 T C 1.587 176.320 174.700 0.054 0.000 1.039 176 T CA 1.204 63.359 62.100 0.092 0.000 1.143 176 T CB -0.676 68.202 68.868 0.017 0.000 0.866 176 T HN 0.354 nan 8.240 nan 0.000 0.428 177 W N 2.396 123.690 121.300 -0.010 0.000 2.359 177 W HA 0.014 4.676 4.660 0.003 0.000 0.275 177 W C 2.041 178.466 176.519 -0.158 0.000 1.217 177 W CA 0.588 57.903 57.345 -0.051 0.000 1.196 177 W CB -0.478 28.986 29.460 0.008 0.000 1.129 177 W HN 0.375 nan 8.180 nan 0.000 0.566 178 K N -1.441 118.968 120.400 0.014 0.000 2.287 178 K HA 0.007 4.329 4.320 0.003 0.000 0.199 178 K C 1.841 178.210 176.600 -0.386 0.000 1.061 178 K CA 0.187 56.381 56.287 -0.155 0.000 0.976 178 K CB -0.047 32.397 32.500 -0.093 0.000 0.898 178 K HN -0.063 nan 8.250 nan 0.000 0.492 179 I N 1.759 122.084 120.570 -0.408 0.000 2.202 179 I HA -0.181 3.992 4.170 0.003 0.000 0.242 179 I C 2.486 178.396 176.117 -0.345 0.000 1.091 179 I CA 1.141 62.165 61.300 -0.459 0.000 1.368 179 I CB -1.074 36.587 38.000 -0.564 0.000 1.058 179 I HN 0.047 nan 8.210 nan 0.000 0.410 180 A N 1.774 124.436 122.820 -0.264 0.000 1.841 180 A HA -0.143 4.179 4.320 0.003 0.000 0.216 180 A C 0.139 177.489 177.584 -0.389 0.000 1.199 180 A CA 1.854 53.762 52.037 -0.214 0.000 0.621 180 A CB -2.135 16.797 19.000 -0.115 0.000 0.835 180 A HN 0.252 nan 8.150 nan 0.000 0.445 181 P HA -0.199 nan 4.420 nan 0.000 0.214 181 P C 1.787 178.813 177.300 -0.458 0.000 1.163 181 P CA 2.294 65.000 63.100 -0.656 0.000 0.889 181 P CB -0.193 31.156 31.700 -0.585 0.000 0.790 182 A N -0.862 121.460 122.820 -0.829 0.000 1.883 182 A HA -0.183 4.139 4.320 0.003 0.000 0.217 182 A C 2.281 179.763 177.584 -0.170 0.000 1.186 182 A CA 1.623 53.227 52.037 -0.721 0.000 0.624 182 A CB -1.675 16.807 19.000 -0.863 0.000 0.822 182 A HN 0.111 nan 8.150 nan 0.000 0.444 183 L N -1.110 120.054 121.223 -0.099 0.000 2.056 183 L HA -0.200 4.142 4.340 0.003 0.000 0.207 183 L C 2.813 179.861 176.870 0.295 0.000 1.078 183 L CA 1.194 56.156 54.840 0.203 0.000 0.749 183 L CB -0.745 41.400 42.059 0.143 0.000 0.901 183 L HN 0.668 nan 8.230 nan 0.000 0.433 184 C N 0.074 119.470 119.300 0.161 0.000 2.385 184 C HA -0.277 4.185 4.460 0.003 0.000 0.275 184 C C 2.891 177.965 174.990 0.139 0.000 1.207 184 C CA 1.185 60.317 59.018 0.190 0.000 1.760 184 C CB -0.941 26.938 27.740 0.232 0.000 2.051 184 C HN 0.709 nan 8.230 nan 0.000 0.467 185 C N 0.717 120.085 119.300 0.113 0.000 2.576 185 C HA 0.355 4.817 4.460 0.003 0.000 0.267 185 C C 2.055 177.112 174.990 0.112 0.000 1.364 185 C CA 0.865 59.946 59.018 0.106 0.000 1.723 185 C CB -1.673 26.146 27.740 0.133 0.000 1.778 185 C HN 0.988 nan 8.230 nan 0.000 0.572 186 G N 1.099 109.986 108.800 0.144 0.000 2.175 186 G HA2 -0.208 3.754 3.960 0.003 0.000 0.244 186 G HA3 -0.208 3.754 3.960 0.003 0.000 0.244 186 G C -0.022 175.154 174.900 0.459 0.000 0.982 186 G CA -0.115 45.055 45.100 0.116 0.000 0.641 186 G HN 0.505 nan 8.290 nan 0.000 0.527 187 N N 0.979 119.883 118.700 0.341 0.000 2.317 187 N HA 0.460 5.202 4.740 0.003 0.000 0.245 187 N C 0.619 176.291 175.510 0.271 0.000 1.294 187 N CA 1.118 54.272 53.050 0.173 0.000 0.924 187 N CB 0.566 39.079 38.487 0.044 0.000 1.186 187 N HN 0.596 nan 8.380 nan 0.000 0.495 188 T N -2.943 111.620 114.554 0.015 0.000 2.912 188 T HA 0.646 4.998 4.350 0.003 0.000 0.288 188 T C -0.191 174.433 174.700 -0.127 0.000 1.030 188 T CA -0.766 61.295 62.100 -0.065 0.000 1.020 188 T CB 1.373 70.224 68.868 -0.029 0.000 1.056 188 T HN 0.109 nan 8.240 nan 0.000 0.480 189 V N 1.405 121.218 119.914 -0.168 0.000 2.823 189 V HA 0.647 4.769 4.120 0.003 0.000 0.312 189 V C -0.807 175.209 176.094 -0.129 0.000 1.072 189 V CA -0.772 61.434 62.300 -0.157 0.000 0.937 189 V CB 2.323 34.015 31.823 -0.219 0.000 1.013 189 V HN 0.889 nan 8.190 nan 0.000 0.430 190 V N 5.775 125.629 119.914 -0.100 0.000 2.380 190 V HA 0.462 4.584 4.120 0.003 0.000 0.272 190 V C -0.410 175.657 176.094 -0.046 0.000 1.011 190 V CA -0.206 62.053 62.300 -0.070 0.000 0.826 190 V CB 1.335 33.111 31.823 -0.078 0.000 1.040 190 V HN 0.703 nan 8.190 nan 0.000 0.441 191 I N 4.208 124.754 120.570 -0.039 0.000 2.359 191 I HA 0.547 4.719 4.170 0.003 0.000 0.294 191 I C -0.189 175.958 176.117 0.050 0.000 0.987 191 I CA -0.456 60.827 61.300 -0.028 0.000 1.225 191 I CB 1.099 39.020 38.000 -0.131 0.000 1.366 191 I HN 0.322 nan 8.210 nan 0.000 0.466 192 K N 9.572 130.005 120.400 0.055 0.000 2.404 192 K HA 0.500 4.822 4.320 0.003 0.000 0.257 192 K C -2.632 174.021 176.600 0.089 0.000 1.026 192 K CA -1.983 54.350 56.287 0.077 0.000 0.951 192 K CB 1.440 33.978 32.500 0.064 0.000 1.203 192 K HN 0.334 nan 8.250 nan 0.000 0.446 193 P HA 0.123 nan 4.420 nan 0.000 0.276 193 P C -0.437 176.926 177.300 0.105 0.000 1.252 193 P CA -0.487 62.697 63.100 0.140 0.000 0.802 193 P CB 0.697 32.509 31.700 0.186 0.000 1.035 194 A N 2.108 124.996 122.820 0.112 0.000 2.507 194 A HA 0.008 4.330 4.320 0.003 0.000 0.235 194 A C 1.613 179.262 177.584 0.109 0.000 1.070 194 A CA -0.061 52.051 52.037 0.125 0.000 0.768 194 A CB -0.185 18.938 19.000 0.206 0.000 1.011 194 A HN 0.671 nan 8.150 nan 0.000 0.502 195 E N 1.609 121.833 120.200 0.040 0.000 2.274 195 E HA -0.208 4.144 4.350 0.003 0.000 0.194 195 E C 1.018 177.726 176.600 0.180 0.000 0.996 195 E CA 1.258 57.618 56.400 -0.066 0.000 0.840 195 E CB -0.259 29.157 29.700 -0.472 0.000 0.772 195 E HN 0.854 nan 8.360 nan 0.000 0.491 196 Q N 1.340 121.235 119.800 0.159 0.000 2.280 196 Q HA 0.059 4.401 4.340 0.003 0.000 0.202 196 Q C -0.031 176.041 176.000 0.121 0.000 0.903 196 Q CA 0.610 56.491 55.803 0.130 0.000 0.948 196 Q CB 0.031 28.785 28.738 0.028 0.000 1.058 196 Q HN 0.223 nan 8.270 nan 0.000 0.493 197 T N -2.303 112.344 114.554 0.154 0.000 4.481 197 T HA 0.212 4.564 4.350 0.003 0.000 0.211 197 T C -2.602 172.169 174.700 0.119 0.000 0.923 197 T CA -0.626 61.547 62.100 0.123 0.000 1.441 197 T CB 0.970 69.922 68.868 0.140 0.000 0.771 197 T HN -0.003 nan 8.240 nan 0.000 0.586 198 P HA 0.320 nan 4.420 nan 0.000 0.261 198 P C 1.480 178.826 177.300 0.076 0.000 1.268 198 P CA -0.319 62.859 63.100 0.130 0.000 0.833 198 P CB 0.446 32.275 31.700 0.215 0.000 1.231 199 L N 0.985 122.235 121.223 0.045 0.000 1.937 199 L HA -0.175 4.167 4.340 0.003 0.000 0.213 199 L C 2.842 179.729 176.870 0.029 0.000 1.077 199 L CA 2.514 57.376 54.840 0.037 0.000 0.758 199 L CB -1.724 40.346 42.059 0.018 0.000 0.888 199 L HN 0.087 nan 8.230 nan 0.000 0.433 200 S N 0.368 116.058 115.700 -0.016 0.000 2.392 200 S HA -0.264 4.208 4.470 0.003 0.000 0.232 200 S C 2.102 176.587 174.600 -0.192 0.000 1.041 200 S CA 1.164 59.325 58.200 -0.065 0.000 1.026 200 S CB -0.694 62.451 63.200 -0.091 0.000 0.845 200 S HN 0.411 nan 8.310 nan 0.000 0.465 201 A N 2.164 124.837 122.820 -0.245 0.000 1.877 201 A HA 0.100 4.422 4.320 0.003 0.000 0.216 201 A C 2.382 179.773 177.584 -0.321 0.000 1.186 201 A CA 1.577 53.310 52.037 -0.507 0.000 0.620 201 A CB -0.917 18.008 19.000 -0.126 0.000 0.822 201 A HN 0.551 nan 8.150 nan 0.000 0.443 202 L N -2.369 118.828 121.223 -0.044 0.000 2.083 202 L HA -0.185 4.157 4.340 0.003 0.000 0.209 202 L C 2.577 179.461 176.870 0.024 0.000 1.083 202 L CA 1.607 56.508 54.840 0.101 0.000 0.752 202 L CB -0.572 41.620 42.059 0.222 0.000 0.899 202 L HN 0.577 nan 8.230 nan 0.000 0.433 203 Y N 0.036 120.258 120.300 -0.129 0.000 2.224 203 Y HA -0.265 4.287 4.550 0.003 0.000 0.289 203 Y C 2.639 178.363 175.900 -0.293 0.000 1.146 203 Y CA 1.436 59.421 58.100 -0.193 0.000 1.182 203 Y CB 0.039 38.449 38.460 -0.084 0.000 0.983 203 Y HN 0.060 nan 8.280 nan 0.000 0.524 204 M N -0.524 118.927 119.600 -0.249 0.000 2.279 204 M HA -0.132 4.350 4.480 0.003 0.000 0.264 204 M C 2.372 178.437 176.300 -0.392 0.000 1.062 204 M CA 1.371 56.480 55.300 -0.317 0.000 1.099 204 M CB -1.831 30.444 32.600 -0.542 0.000 1.394 204 M HN 0.447 nan 8.290 nan 0.000 0.426 205 G N -0.012 108.473 108.800 -0.525 0.000 2.422 205 G HA2 -0.076 3.886 3.960 0.003 0.000 0.218 205 G HA3 -0.076 3.886 3.960 0.003 0.000 0.218 205 G C 1.682 176.016 174.900 -0.945 0.000 1.146 205 G CA 1.159 45.634 45.100 -1.041 0.000 0.769 205 G HN 0.534 nan 8.290 nan 0.000 0.547 206 A N 0.799 123.242 122.820 -0.628 0.000 1.858 206 A HA 0.085 4.407 4.320 0.003 0.000 0.216 206 A C 2.442 179.811 177.584 -0.360 0.000 1.190 206 A CA 1.340 53.066 52.037 -0.519 0.000 0.617 206 A CB -0.491 17.838 19.000 -1.119 0.000 0.827 206 A HN 0.339 nan 8.150 nan 0.000 0.443 207 L N -0.616 120.375 121.223 -0.385 0.000 2.042 207 L HA -0.205 4.137 4.340 0.003 0.000 0.210 207 L C 2.510 179.356 176.870 -0.040 0.000 1.076 207 L CA 1.306 56.042 54.840 -0.172 0.000 0.749 207 L CB -0.679 41.312 42.059 -0.114 0.000 0.893 207 L HN 0.365 nan 8.230 nan 0.000 0.432 208 I N 0.081 120.610 120.570 -0.069 0.000 2.163 208 I HA -0.334 3.838 4.170 0.003 0.000 0.243 208 I C 2.782 179.024 176.117 0.209 0.000 1.085 208 I CA 1.528 62.896 61.300 0.114 0.000 1.347 208 I CB -0.291 37.634 38.000 -0.126 0.000 1.044 208 I HN 0.245 nan 8.210 nan 0.000 0.408 209 K N 0.840 121.281 120.400 0.069 0.000 2.097 209 K HA -0.246 4.076 4.320 0.003 0.000 0.206 209 K C 2.099 178.755 176.600 0.094 0.000 1.049 209 K CA 1.583 57.952 56.287 0.136 0.000 0.933 209 K CB -0.053 32.539 32.500 0.154 0.000 0.717 209 K HN 0.287 nan 8.250 nan 0.000 0.442 210 E N -0.170 120.060 120.200 0.050 0.000 2.072 210 E HA -0.164 4.188 4.350 0.003 0.000 0.191 210 E C 1.747 178.368 176.600 0.035 0.000 0.985 210 E CA 0.912 57.334 56.400 0.037 0.000 0.801 210 E CB -0.087 29.619 29.700 0.011 0.000 0.750 210 E HN 0.435 nan 8.360 nan 0.000 0.452 211 A N 0.004 122.855 122.820 0.050 0.000 2.019 211 A HA -0.040 4.282 4.320 0.003 0.000 0.219 211 A C 1.879 179.410 177.584 -0.089 0.000 1.164 211 A CA 1.736 53.770 52.037 -0.005 0.000 0.644 211 A CB -0.470 18.546 19.000 0.027 0.000 0.805 211 A HN 0.523 nan 8.150 nan 0.000 0.449 212 G N -3.346 105.429 108.800 -0.041 0.000 2.183 212 G HA2 -0.128 3.834 3.960 0.003 0.000 0.168 212 G HA3 -0.128 3.834 3.960 0.003 0.000 0.168 212 G C -0.033 174.823 174.900 -0.073 0.000 1.008 212 G CA -0.246 44.817 45.100 -0.062 0.000 0.677 212 G HN 0.254 nan 8.290 nan 0.000 0.498 213 F N 1.958 121.907 119.950 -0.001 0.000 2.608 213 F HA 0.381 4.910 4.527 0.004 0.000 0.380 213 F C -1.203 174.553 175.800 -0.074 0.000 1.083 213 F CA -1.119 56.841 58.000 -0.067 0.000 1.266 213 F CB 0.358 39.270 39.000 -0.147 0.000 1.076 213 F HN -0.087 nan 8.300 nan 0.000 0.574 214 P HA 0.041 nan 4.420 nan 0.000 0.268 214 P C -2.438 174.851 177.300 -0.018 0.000 1.205 214 P CA -0.939 62.195 63.100 0.058 0.000 0.771 214 P CB -0.091 31.682 31.700 0.121 0.000 0.858 215 P HA -0.021 nan 4.420 nan 0.000 0.264 215 P C 0.816 178.042 177.300 -0.123 0.000 1.193 215 P CA 0.971 64.012 63.100 -0.099 0.000 0.763 215 P CB 0.313 31.957 31.700 -0.092 0.000 0.810 216 G N 1.767 110.454 108.800 -0.188 0.000 2.232 216 G HA2 -0.287 3.675 3.960 0.003 0.000 0.226 216 G HA3 -0.287 3.675 3.960 0.003 0.000 0.226 216 G C 0.862 175.645 174.900 -0.195 0.000 0.996 216 G CA 0.123 45.121 45.100 -0.169 0.000 0.626 216 G HN 0.366 nan 8.290 nan 0.000 0.509 217 V N 0.241 119.985 119.914 -0.283 0.000 2.343 217 V HA 0.078 4.200 4.120 0.003 0.000 0.247 217 V C 1.447 177.320 176.094 -0.369 0.000 1.051 217 V CA 2.028 64.046 62.300 -0.469 0.000 1.036 217 V CB -0.014 31.286 31.823 -0.870 0.000 0.654 217 V HN 0.406 nan 8.190 nan 0.000 0.451 218 V N 1.557 121.302 119.914 -0.281 0.000 2.444 218 V HA 0.455 4.577 4.120 0.003 0.000 0.294 218 V C -0.766 175.322 176.094 -0.010 0.000 1.022 218 V CA -0.751 61.438 62.300 -0.184 0.000 0.850 218 V CB 1.662 33.339 31.823 -0.242 0.000 0.992 218 V HN 0.423 nan 8.190 nan 0.000 0.426 219 N N 5.401 124.084 118.700 -0.029 0.000 2.399 219 N HA 0.592 5.334 4.740 0.003 0.000 0.280 219 N C -1.092 174.478 175.510 0.099 0.000 1.008 219 N CA -0.370 52.689 53.050 0.015 0.000 0.894 219 N CB 2.853 41.287 38.487 -0.088 0.000 1.273 219 N HN 0.531 nan 8.380 nan 0.000 0.486 220 I N 2.685 123.391 120.570 0.227 0.000 2.354 220 I HA 0.330 4.502 4.170 0.003 0.000 0.286 220 I C -0.722 175.509 176.117 0.189 0.000 1.007 220 I CA -0.692 60.739 61.300 0.219 0.000 1.167 220 I CB 0.941 39.102 38.000 0.268 0.000 1.320 220 I HN 0.168 nan 8.210 nan 0.000 0.458 221 L N 9.093 130.402 121.223 0.143 0.000 2.318 221 L HA 0.490 4.832 4.340 0.003 0.000 0.277 221 L C -2.288 174.665 176.870 0.137 0.000 1.008 221 L CA -1.393 53.526 54.840 0.132 0.000 0.846 221 L CB 1.200 43.309 42.059 0.083 0.000 1.220 221 L HN 0.354 nan 8.230 nan 0.000 0.423 222 P HA 0.605 nan 4.420 nan 0.000 0.282 222 P C -0.120 177.223 177.300 0.072 0.000 1.249 222 P CA -0.062 63.169 63.100 0.219 0.000 0.806 222 P CB 2.347 34.280 31.700 0.388 0.000 0.984 223 G N 0.933 109.557 108.800 -0.292 0.000 2.344 223 G HA2 0.223 4.185 3.960 0.003 0.000 0.282 223 G HA3 0.223 4.185 3.960 0.003 0.000 0.282 223 G C -1.924 172.514 174.900 -0.770 0.000 1.281 223 G CA -0.657 44.007 45.100 -0.727 0.000 0.877 223 G HN 0.289 nan 8.290 nan 0.000 0.494 224 Y N 0.676 120.793 120.300 -0.305 0.000 2.335 224 Y HA 0.499 5.051 4.550 0.003 0.000 0.323 224 Y C 1.738 177.599 175.900 -0.065 0.000 1.224 224 Y CA 0.887 58.881 58.100 -0.177 0.000 1.241 224 Y CB 1.601 39.970 38.460 -0.151 0.000 1.235 224 Y HN 0.718 nan 8.280 nan 0.000 0.492 225 G N 1.462 110.365 108.800 0.171 0.000 2.484 225 G HA2 -0.174 3.788 3.960 0.003 0.000 0.215 225 G HA3 -0.174 3.788 3.960 0.003 0.000 0.215 225 G C -0.818 174.143 174.900 0.102 0.000 1.219 225 G CA 0.582 45.760 45.100 0.130 0.000 0.791 225 G HN 0.551 nan 8.290 nan 0.000 0.550 226 P HA -0.025 nan 4.420 nan 0.000 0.226 226 P C 1.578 178.905 177.300 0.044 0.000 1.146 226 P CA 1.930 65.058 63.100 0.046 0.000 0.773 226 P CB 0.021 31.732 31.700 0.018 0.000 0.772 227 T N -3.900 110.697 114.554 0.071 0.000 3.610 227 T HA 0.316 4.668 4.350 0.003 0.000 0.209 227 T C 1.911 176.647 174.700 0.061 0.000 0.889 227 T CA 0.474 62.612 62.100 0.064 0.000 1.469 227 T CB -1.082 67.838 68.868 0.086 0.000 1.557 227 T HN -0.129 nan 8.240 nan 0.000 0.431 228 A N 1.773 124.630 122.820 0.062 0.000 1.877 228 A HA 0.203 4.525 4.320 0.003 0.000 0.216 228 A C 2.635 180.258 177.584 0.064 0.000 1.186 228 A CA 2.069 54.140 52.037 0.056 0.000 0.620 228 A CB -1.802 17.220 19.000 0.037 0.000 0.822 228 A HN 0.714 nan 8.150 nan 0.000 0.443 229 G N -0.730 108.112 108.800 0.070 0.000 2.442 229 G HA2 -0.007 3.955 3.960 0.003 0.000 0.219 229 G HA3 -0.007 3.955 3.960 0.003 0.000 0.219 229 G C 1.626 176.573 174.900 0.078 0.000 1.141 229 G CA 1.461 46.614 45.100 0.088 0.000 0.763 229 G HN 0.851 nan 8.290 nan 0.000 0.554 230 A N 0.684 123.540 122.820 0.060 0.000 2.016 230 A HA 0.522 4.844 4.320 0.003 0.000 0.217 230 A C 2.688 180.297 177.584 0.042 0.000 1.162 230 A CA 1.608 53.668 52.037 0.038 0.000 0.662 230 A CB -0.411 18.603 19.000 0.024 0.000 0.812 230 A HN 0.649 nan 8.150 nan 0.000 0.450 231 A N -0.023 122.830 122.820 0.056 0.000 2.015 231 A HA 0.026 4.348 4.320 0.003 0.000 0.219 231 A C 2.024 179.677 177.584 0.115 0.000 1.163 231 A CA 1.284 53.364 52.037 0.071 0.000 0.646 231 A CB -0.457 18.592 19.000 0.082 0.000 0.806 231 A HN 0.488 nan 8.150 nan 0.000 0.448 232 I N -0.438 120.192 120.570 0.100 0.000 2.206 232 I HA -0.175 3.997 4.170 0.003 0.000 0.239 232 I C 2.868 179.041 176.117 0.093 0.000 1.078 232 I CA 0.949 62.310 61.300 0.102 0.000 1.367 232 I CB -0.419 37.623 38.000 0.070 0.000 1.078 232 I HN 0.291 nan 8.210 nan 0.000 0.413 233 A N -0.154 122.706 122.820 0.067 0.000 2.194 233 A HA -0.178 4.144 4.320 0.003 0.000 0.220 233 A C 2.186 179.788 177.584 0.030 0.000 1.162 233 A CA 2.198 54.260 52.037 0.041 0.000 0.674 233 A CB -0.463 18.548 19.000 0.018 0.000 0.789 233 A HN 0.470 nan 8.150 nan 0.000 0.470 234 S N -1.957 113.769 115.700 0.043 0.000 2.578 234 S HA 0.125 4.597 4.470 0.003 0.000 0.228 234 S C 0.489 175.105 174.600 0.027 0.000 1.022 234 S CA -0.616 57.595 58.200 0.018 0.000 0.967 234 S CB -0.128 63.068 63.200 -0.007 0.000 0.914 234 S HN 0.706 nan 8.310 nan 0.000 0.515 235 H N 1.720 120.789 119.070 -0.001 0.000 3.001 235 H HA 0.084 4.642 4.556 0.003 0.000 0.334 235 H C 1.067 176.393 175.328 -0.003 0.000 1.034 235 H CA 0.368 56.415 56.048 -0.001 0.000 1.420 235 H CB 0.401 30.163 29.762 0.001 0.000 1.405 235 H HN 0.090 nan 8.280 nan 0.000 0.593 236 I N 3.868 124.442 120.570 0.007 0.000 2.439 236 I HA -0.055 4.117 4.170 0.003 0.000 0.251 236 I C 2.190 178.412 176.117 0.176 0.000 1.139 236 I CA 1.484 62.827 61.300 0.071 0.000 1.438 236 I CB -0.190 37.795 38.000 -0.024 0.000 1.085 236 I HN 0.750 nan 8.210 nan 0.000 0.427 237 G N 0.466 109.491 108.800 0.374 0.000 3.518 237 G HA2 0.271 4.233 3.960 0.003 0.000 0.273 237 G HA3 0.271 4.233 3.960 0.003 0.000 0.273 237 G C 0.373 175.307 174.900 0.056 0.000 1.199 237 G CA -0.169 45.034 45.100 0.172 0.000 0.899 237 G HN 0.221 nan 8.290 nan 0.000 0.533 238 I N 0.981 121.590 120.570 0.066 0.000 2.355 238 I HA 0.190 4.362 4.170 0.003 0.000 0.288 238 I C 0.073 176.189 176.117 -0.002 0.000 0.999 238 I CA -0.726 60.570 61.300 -0.006 0.000 1.163 238 I CB 1.869 39.867 38.000 -0.002 0.000 1.316 238 I HN 0.033 nan 8.210 nan 0.000 0.454 239 D N 5.003 125.384 120.400 -0.032 0.000 2.183 239 D HA -0.061 4.581 4.640 0.003 0.000 0.203 239 D C 0.778 177.055 176.300 -0.038 0.000 0.969 239 D CA 1.292 55.272 54.000 -0.034 0.000 0.842 239 D CB 0.624 41.389 40.800 -0.058 0.000 0.957 239 D HN 0.411 nan 8.370 nan 0.000 0.484 240 K N -0.040 120.335 120.400 -0.042 0.000 2.495 240 K HA 0.551 4.873 4.320 0.003 0.000 0.268 240 K C -1.899 174.689 176.600 -0.020 0.000 1.008 240 K CA -0.722 55.538 56.287 -0.045 0.000 0.882 240 K CB 2.873 35.329 32.500 -0.074 0.000 1.443 240 K HN -0.012 nan 8.250 nan 0.000 0.447 241 I N 0.870 121.429 120.570 -0.018 0.000 2.644 241 I HA 0.468 4.640 4.170 0.003 0.000 0.291 241 I C -1.797 174.339 176.117 0.031 0.000 1.180 241 I CA -0.466 60.846 61.300 0.022 0.000 1.040 241 I CB 1.987 40.008 38.000 0.035 0.000 1.255 241 I HN 0.725 nan 8.210 nan 0.000 0.422 242 A N 7.168 130.031 122.820 0.073 0.000 2.273 242 A HA 0.698 5.021 4.320 0.003 0.000 0.315 242 A C -1.530 176.138 177.584 0.141 0.000 1.256 242 A CA -0.372 51.719 52.037 0.089 0.000 0.851 242 A CB 0.641 19.723 19.000 0.137 0.000 1.172 242 A HN 0.641 nan 8.150 nan 0.000 0.508 243 F N 2.202 122.157 119.950 0.007 0.000 2.546 243 F HA 0.789 5.317 4.527 0.002 0.000 0.320 243 F C -0.051 175.757 175.800 0.013 0.000 1.076 243 F CA -0.084 57.923 58.000 0.011 0.000 0.928 243 F CB 2.393 41.393 39.000 -0.000 0.000 1.189 243 F HN 0.522 nan 8.300 nan 0.000 0.465 244 T N 3.495 117.430 114.554 -1.032 0.000 3.172 244 T HA 0.681 5.033 4.350 0.003 0.000 0.320 244 T C -0.624 173.465 174.700 -1.019 0.000 1.085 244 T CA 0.297 62.018 62.100 -0.633 0.000 1.052 244 T CB 0.639 69.364 68.868 -0.238 0.000 1.107 244 T HN 1.424 nan 8.240 nan 0.000 0.458 245 G N 2.725 111.227 108.800 -0.496 0.000 2.600 245 G HA2 0.410 4.372 3.960 0.003 0.000 0.103 245 G HA3 0.410 4.372 3.960 0.003 0.000 0.103 245 G C -0.393 174.577 174.900 0.116 0.000 1.090 245 G CA 0.095 45.051 45.100 -0.240 0.000 1.090 245 G HN 1.567 nan 8.290 nan 0.000 0.500 246 S N -0.027 115.817 115.700 0.240 0.000 2.584 246 S HA 0.459 4.931 4.470 0.003 0.000 0.273 246 S C 1.703 176.398 174.600 0.158 0.000 1.311 246 S CA 1.110 59.398 58.200 0.146 0.000 1.034 246 S CB 1.391 64.640 63.200 0.082 0.000 0.939 246 S HN 1.831 nan 8.310 nan 0.000 0.513 247 T N -0.050 114.545 114.554 0.067 0.000 2.746 247 T HA -0.170 4.182 4.350 0.003 0.000 0.267 247 T C 1.507 176.180 174.700 -0.045 0.000 1.039 247 T CA 1.262 63.371 62.100 0.016 0.000 1.142 247 T CB -0.771 68.098 68.868 0.001 0.000 0.866 247 T HN 0.787 nan 8.240 nan 0.000 0.444 248 E N 1.460 121.639 120.200 -0.035 0.000 2.160 248 E HA -0.084 4.268 4.350 0.003 0.000 0.195 248 E C 2.324 178.868 176.600 -0.093 0.000 0.991 248 E CA 1.052 57.418 56.400 -0.056 0.000 0.810 248 E CB -0.990 28.691 29.700 -0.032 0.000 0.742 248 E HN 0.551 nan 8.360 nan 0.000 0.466 249 V N 1.322 121.177 119.914 -0.099 0.000 2.951 249 V HA -0.002 4.120 4.120 0.003 0.000 0.255 249 V C 2.418 178.208 176.094 -0.505 0.000 1.088 249 V CA 1.313 63.491 62.300 -0.205 0.000 1.109 249 V CB -0.604 31.180 31.823 -0.066 0.000 0.724 249 V HN 0.381 nan 8.190 nan 0.000 0.471 250 G N 0.397 108.887 108.800 -0.516 0.000 2.421 250 G HA2 -0.225 3.737 3.960 0.003 0.000 0.216 250 G HA3 -0.225 3.737 3.960 0.003 0.000 0.216 250 G C 1.618 176.312 174.900 -0.343 0.000 1.171 250 G CA 0.726 45.471 45.100 -0.592 0.000 0.775 250 G HN 0.454 nan 8.290 nan 0.000 0.543 251 K N 0.039 120.305 120.400 -0.223 0.000 2.089 251 K HA -0.061 4.261 4.320 0.003 0.000 0.210 251 K C 2.454 178.959 176.600 -0.159 0.000 1.048 251 K CA 1.097 57.287 56.287 -0.162 0.000 0.926 251 K CB -0.370 32.054 32.500 -0.127 0.000 0.714 251 K HN 0.292 nan 8.250 nan 0.000 0.448 252 L N 0.768 121.885 121.223 -0.177 0.000 2.201 252 L HA -0.165 4.177 4.340 0.003 0.000 0.212 252 L C 2.255 179.030 176.870 -0.158 0.000 1.105 252 L CA 0.471 55.224 54.840 -0.145 0.000 0.775 252 L CB -0.375 41.606 42.059 -0.131 0.000 0.913 252 L HN 0.178 nan 8.230 nan 0.000 0.440 253 I N -0.549 119.877 120.570 -0.241 0.000 2.235 253 I HA -0.212 3.960 4.170 0.003 0.000 0.241 253 I C 2.558 178.594 176.117 -0.135 0.000 1.085 253 I CA 1.342 62.514 61.300 -0.213 0.000 1.378 253 I CB -1.091 36.695 38.000 -0.356 0.000 1.076 253 I HN 0.370 nan 8.210 nan 0.000 0.415 254 Q N 0.437 120.154 119.800 -0.138 0.000 2.124 254 Q HA -0.252 4.090 4.340 0.003 0.000 0.202 254 Q C 2.167 178.121 176.000 -0.076 0.000 0.977 254 Q CA 1.663 57.410 55.803 -0.092 0.000 0.850 254 Q CB -0.017 28.667 28.738 -0.090 0.000 0.901 254 Q HN 0.516 nan 8.270 nan 0.000 0.429 255 E N -0.124 120.027 120.200 -0.083 0.000 2.047 255 E HA -0.152 4.200 4.350 0.003 0.000 0.191 255 E C 1.739 178.306 176.600 -0.055 0.000 0.987 255 E CA 0.883 57.243 56.400 -0.066 0.000 0.799 255 E CB -0.011 29.648 29.700 -0.069 0.000 0.752 255 E HN 0.315 nan 8.360 nan 0.000 0.449 256 A N 0.796 123.580 122.820 -0.059 0.000 2.121 256 A HA 0.016 4.338 4.320 0.003 0.000 0.218 256 A C 2.184 179.747 177.584 -0.035 0.000 1.154 256 A CA 1.347 53.357 52.037 -0.044 0.000 0.679 256 A CB -0.398 18.576 19.000 -0.043 0.000 0.795 256 A HN 0.394 nan 8.150 nan 0.000 0.458 257 A N -0.216 122.581 122.820 -0.040 0.000 1.840 257 A HA 0.198 4.520 4.320 0.003 0.000 0.214 257 A C 2.416 179.984 177.584 -0.028 0.000 1.198 257 A CA 1.712 53.731 52.037 -0.030 0.000 0.608 257 A CB -1.436 17.542 19.000 -0.037 0.000 0.839 257 A HN 0.665 nan 8.150 nan 0.000 0.443 258 G N -0.617 108.163 108.800 -0.033 0.000 2.418 258 G HA2 -0.215 3.747 3.960 0.003 0.000 0.217 258 G HA3 -0.215 3.747 3.960 0.003 0.000 0.217 258 G C 1.706 176.590 174.900 -0.026 0.000 1.158 258 G CA 0.823 45.906 45.100 -0.029 0.000 0.771 258 G HN 0.387 nan 8.290 nan 0.000 0.545 259 R N 1.222 121.704 120.500 -0.029 0.000 2.115 259 R HA -0.142 4.200 4.340 0.003 0.000 0.239 259 R C 3.044 179.330 176.300 -0.024 0.000 1.133 259 R CA 1.807 57.891 56.100 -0.027 0.000 0.935 259 R CB -1.194 29.088 30.300 -0.030 0.000 0.853 259 R HN 0.560 nan 8.270 nan 0.000 0.433 260 S N 2.113 117.800 115.700 -0.022 0.000 2.499 260 S HA -0.147 4.325 4.470 0.003 0.000 0.206 260 S C 1.228 175.819 174.600 -0.014 0.000 1.165 260 S CA 1.300 59.488 58.200 -0.019 0.000 1.503 260 S CB -0.488 62.705 63.200 -0.013 0.000 1.004 260 S HN 0.504 nan 8.310 nan 0.000 0.385 261 N N 0.892 119.588 118.700 -0.008 0.000 2.241 261 N HA 0.260 5.002 4.740 0.003 0.000 0.238 261 N C 0.206 175.711 175.510 -0.008 0.000 1.244 261 N CA 0.073 53.120 53.050 -0.005 0.000 0.880 261 N CB -0.467 38.024 38.487 0.006 0.000 1.179 261 N HN 0.599 nan 8.380 nan 0.000 0.513 262 L N -0.410 120.805 121.223 -0.014 0.000 4.040 262 L HA -0.302 4.040 4.340 0.003 0.000 0.410 262 L C -0.073 176.786 176.870 -0.019 0.000 1.187 262 L CA 0.785 55.614 54.840 -0.018 0.000 0.956 262 L CB -1.895 40.153 42.059 -0.019 0.000 2.022 262 L HN 0.430 nan 8.230 nan 0.000 0.897 263 K N 0.350 120.741 120.400 -0.015 0.000 2.518 263 K HA 0.296 4.618 4.320 0.003 0.000 0.276 263 K C 0.452 177.035 176.600 -0.029 0.000 0.974 263 K CA -0.417 55.859 56.287 -0.018 0.000 0.986 263 K CB 0.362 32.856 32.500 -0.009 0.000 0.901 263 K HN 0.037 nan 8.250 nan 0.000 0.497 264 R N 0.869 121.344 120.500 -0.040 0.000 2.698 264 R HA 0.128 4.470 4.340 0.003 0.000 0.266 264 R C -0.578 175.690 176.300 -0.054 0.000 1.026 264 R CA 0.024 56.091 56.100 -0.054 0.000 1.102 264 R CB 0.580 30.835 30.300 -0.076 0.000 0.978 264 R HN 0.462 nan 8.270 nan 0.000 0.436 265 V N 1.530 121.412 119.914 -0.053 0.000 2.760 265 V HA 0.431 4.553 4.120 0.003 0.000 0.309 265 V C -0.517 175.552 176.094 -0.042 0.000 1.077 265 V CA -0.765 61.510 62.300 -0.041 0.000 0.910 265 V CB 2.543 34.347 31.823 -0.032 0.000 1.008 265 V HN 0.790 nan 8.190 nan 0.000 0.424 266 T N 5.581 120.121 114.554 -0.023 0.000 2.881 266 T HA 0.716 5.068 4.350 0.003 0.000 0.290 266 T C -0.852 173.888 174.700 0.067 0.000 1.000 266 T CA -0.375 61.718 62.100 -0.012 0.000 0.978 266 T CB 1.117 69.945 68.868 -0.067 0.000 0.997 266 T HN 0.433 nan 8.240 nan 0.000 0.443 267 L N 2.660 123.931 121.223 0.080 0.000 2.376 267 L HA 0.543 4.885 4.340 0.003 0.000 0.275 267 L C 0.144 177.098 176.870 0.139 0.000 0.987 267 L CA -0.731 54.213 54.840 0.173 0.000 0.828 267 L CB 2.105 44.236 42.059 0.120 0.000 1.249 267 L HN 0.549 nan 8.230 nan 0.000 0.409 268 E N 4.279 124.570 120.200 0.152 0.000 2.028 268 E HA 0.454 4.806 4.350 0.003 0.000 0.266 268 E C -0.875 175.783 176.600 0.097 0.000 0.962 268 E CA -0.327 56.117 56.400 0.074 0.000 0.784 268 E CB 0.869 30.578 29.700 0.015 0.000 1.114 268 E HN 0.470 nan 8.360 nan 0.000 0.414 269 L N 1.285 122.571 121.223 0.105 0.000 2.416 269 L HA 0.504 4.846 4.340 0.003 0.000 0.263 269 L C 1.569 178.483 176.870 0.074 0.000 1.065 269 L CA -0.891 54.014 54.840 0.109 0.000 0.798 269 L CB 0.461 42.582 42.059 0.104 0.000 1.267 269 L HN 0.511 nan 8.230 nan 0.000 0.467 270 G N -0.352 108.487 108.800 0.065 0.000 2.199 270 G HA2 0.357 4.319 3.960 0.003 0.000 0.207 270 G HA3 0.357 4.319 3.960 0.003 0.000 0.207 270 G C 0.178 175.123 174.900 0.074 0.000 1.564 270 G CA 0.409 45.542 45.100 0.056 0.000 1.023 270 G HN 1.134 nan 8.290 nan 0.000 0.445 271 G N -2.130 106.718 108.800 0.081 0.000 2.535 271 G HA2 0.346 4.308 3.960 0.003 0.000 0.662 271 G HA3 0.346 4.308 3.960 0.003 0.000 0.662 271 G C -0.517 174.444 174.900 0.102 0.000 1.417 271 G CA -0.075 45.079 45.100 0.090 0.000 0.866 271 G HN 0.862 nan 8.290 nan 0.000 0.647 272 K N -0.407 120.053 120.400 0.100 0.000 2.154 272 K HA 0.714 5.036 4.320 0.003 0.000 0.264 272 K C 0.195 176.868 176.600 0.122 0.000 1.008 272 K CA -0.416 55.939 56.287 0.113 0.000 0.937 272 K CB 1.758 34.321 32.500 0.105 0.000 1.002 272 K HN 0.616 nan 8.250 nan 0.000 0.469 273 S N 2.560 118.347 115.700 0.144 0.000 2.130 273 S HA 0.261 4.733 4.470 0.003 0.000 0.165 273 S C -2.308 172.371 174.600 0.131 0.000 1.677 273 S CA -1.689 56.606 58.200 0.158 0.000 1.227 273 S CB 0.136 63.480 63.200 0.241 0.000 1.115 273 S HN 0.532 nan 8.310 nan 0.000 0.452 274 P HA 0.247 nan 4.420 nan 0.000 0.271 274 P C -0.955 176.383 177.300 0.064 0.000 1.233 274 P CA -0.306 62.885 63.100 0.152 0.000 0.789 274 P CB 0.449 32.219 31.700 0.117 0.000 0.951 275 N N 0.221 118.993 118.700 0.121 0.000 2.336 275 N HA 0.461 5.203 4.740 0.003 0.000 0.290 275 N C -1.024 174.542 175.510 0.093 0.000 1.058 275 N CA -0.445 52.634 53.050 0.048 0.000 0.865 275 N CB 1.355 39.854 38.487 0.020 0.000 1.581 275 N HN 0.264 nan 8.380 nan 0.000 0.480 276 I N 2.688 123.279 120.570 0.035 0.000 2.464 276 I HA 0.420 4.592 4.170 0.003 0.000 0.277 276 I C -0.613 175.482 176.117 -0.037 0.000 1.040 276 I CA -0.482 60.737 61.300 -0.135 0.000 1.153 276 I CB 0.831 38.627 38.000 -0.339 0.000 1.274 276 I HN 0.331 nan 8.210 nan 0.000 0.469 277 I N 5.354 125.916 120.570 -0.013 0.000 2.365 277 I HA 0.334 4.506 4.170 0.003 0.000 0.291 277 I C -0.373 175.795 176.117 0.086 0.000 1.004 277 I CA -0.205 61.161 61.300 0.110 0.000 1.311 277 I CB 0.782 38.759 38.000 -0.039 0.000 1.401 277 I HN 0.302 nan 8.210 nan 0.000 0.491 278 F N 3.072 123.205 119.950 0.304 0.000 2.440 278 F HA 0.440 4.969 4.527 0.005 0.000 0.328 278 F C 1.336 177.245 175.800 0.183 0.000 1.070 278 F CA -0.334 57.836 58.000 0.284 0.000 1.011 278 F CB 1.622 40.769 39.000 0.245 0.000 1.226 278 F HN 0.521 nan 8.300 nan 0.000 0.491 279 A N 0.836 123.846 122.820 0.317 0.000 1.940 279 A HA -0.254 4.068 4.320 0.003 0.000 0.219 279 A C 1.657 179.356 177.584 0.193 0.000 1.176 279 A CA 2.228 54.381 52.037 0.193 0.000 0.631 279 A CB -1.246 17.830 19.000 0.127 0.000 0.814 279 A HN 0.897 nan 8.150 nan 0.000 0.446 280 D N -0.198 120.330 120.400 0.214 0.000 2.348 280 D HA 0.298 4.940 4.640 0.003 0.000 0.216 280 D C 0.801 177.209 176.300 0.180 0.000 0.970 280 D CA 0.572 54.668 54.000 0.159 0.000 0.889 280 D CB -0.226 40.643 40.800 0.116 0.000 0.912 280 D HN 0.453 nan 8.370 nan 0.000 0.524 281 A N 1.105 124.074 122.820 0.249 0.000 2.388 281 A HA 0.310 4.632 4.320 0.003 0.000 0.257 281 A C -0.272 177.451 177.584 0.232 0.000 1.095 281 A CA -0.539 51.664 52.037 0.276 0.000 0.791 281 A CB 0.207 19.439 19.000 0.387 0.000 1.029 281 A HN 0.347 nan 8.150 nan 0.000 0.489 282 D N 2.381 122.913 120.400 0.220 0.000 2.342 282 D HA 0.160 4.802 4.640 0.003 0.000 0.260 282 D C 0.732 177.157 176.300 0.208 0.000 1.278 282 D CA -0.585 53.525 54.000 0.183 0.000 0.910 282 D CB 0.341 41.232 40.800 0.152 0.000 1.079 282 D HN 0.263 nan 8.370 nan 0.000 0.496 283 L N 2.459 123.785 121.223 0.172 0.000 2.058 283 L HA -0.340 4.002 4.340 0.003 0.000 0.226 283 L C 1.488 178.426 176.870 0.114 0.000 1.089 283 L CA 2.106 57.043 54.840 0.162 0.000 0.799 283 L CB -0.552 41.580 42.059 0.120 0.000 0.900 283 L HN 0.500 nan 8.230 nan 0.000 0.442 284 D N -1.683 118.772 120.400 0.092 0.000 2.205 284 D HA -0.328 4.314 4.640 0.003 0.000 0.190 284 D C 2.047 178.396 176.300 0.081 0.000 1.002 284 D CA 2.299 56.335 54.000 0.060 0.000 0.848 284 D CB -0.683 40.164 40.800 0.079 0.000 0.975 284 D HN 0.516 nan 8.370 nan 0.000 0.449 285 Y N 1.633 121.959 120.300 0.044 0.000 2.207 285 Y HA -0.222 4.330 4.550 0.004 0.000 0.287 285 Y C 2.310 178.219 175.900 0.015 0.000 1.156 285 Y CA 1.788 59.928 58.100 0.065 0.000 1.182 285 Y CB -0.359 38.178 38.460 0.129 0.000 0.979 285 Y HN -0.006 nan 8.280 nan 0.000 0.521 286 A N -0.641 122.215 122.820 0.059 0.000 1.877 286 A HA -0.168 4.154 4.320 0.003 0.000 0.216 286 A C 2.309 179.816 177.584 -0.128 0.000 1.186 286 A CA 2.181 54.118 52.037 -0.166 0.000 0.620 286 A CB -1.325 17.736 19.000 0.102 0.000 0.822 286 A HN 0.323 nan 8.150 nan 0.000 0.443 287 V N 0.175 120.054 119.914 -0.058 0.000 2.223 287 V HA -0.277 3.845 4.120 0.003 0.000 0.244 287 V C 2.564 178.586 176.094 -0.120 0.000 1.045 287 V CA 2.480 64.656 62.300 -0.207 0.000 1.000 287 V CB -1.035 30.560 31.823 -0.380 0.000 0.635 287 V HN 0.739 nan 8.190 nan 0.000 0.445 288 E N 0.364 120.477 120.200 -0.146 0.000 2.035 288 E HA -0.292 4.060 4.350 0.003 0.000 0.204 288 E C 2.235 178.803 176.600 -0.054 0.000 1.025 288 E CA 2.084 58.425 56.400 -0.100 0.000 0.835 288 E CB -0.488 29.141 29.700 -0.118 0.000 0.764 288 E HN 0.529 nan 8.360 nan 0.000 0.457 289 Q N -0.045 119.620 119.800 -0.225 0.000 2.045 289 Q HA -0.175 4.167 4.340 0.003 0.000 0.206 289 Q C 2.283 178.300 176.000 0.029 0.000 0.991 289 Q CA 2.015 57.720 55.803 -0.164 0.000 0.851 289 Q CB -1.022 27.520 28.738 -0.326 0.000 0.911 289 Q HN 0.476 nan 8.270 nan 0.000 0.418 290 A N 0.517 123.331 122.820 -0.011 0.000 2.070 290 A HA -0.204 4.118 4.320 0.003 0.000 0.220 290 A C 1.981 179.698 177.584 0.221 0.000 1.159 290 A CA 1.575 53.724 52.037 0.186 0.000 0.656 290 A CB -0.688 18.405 19.000 0.155 0.000 0.800 290 A HN 0.471 nan 8.150 nan 0.000 0.453 291 H N -1.120 118.018 119.070 0.113 0.000 2.403 291 H HA 0.003 4.561 4.556 0.004 0.000 0.298 291 H C 1.708 177.191 175.328 0.258 0.000 1.059 291 H CA 1.484 57.661 56.048 0.216 0.000 1.363 291 H CB 0.119 29.964 29.762 0.138 0.000 1.410 291 H HN 0.388 nan 8.280 nan 0.000 0.528 292 Q N -0.131 119.786 119.800 0.196 0.000 2.269 292 Q HA 0.009 4.351 4.340 0.003 0.000 0.201 292 Q C 2.344 178.316 176.000 -0.048 0.000 0.946 292 Q CA 0.852 56.723 55.803 0.113 0.000 0.877 292 Q CB -0.179 28.586 28.738 0.046 0.000 0.963 292 Q HN 0.570 nan 8.270 nan 0.000 0.472 293 G N -0.365 108.324 108.800 -0.186 0.000 2.464 293 G HA2 -0.055 3.907 3.960 0.003 0.000 0.217 293 G HA3 -0.055 3.907 3.960 0.003 0.000 0.217 293 G C 1.358 175.988 174.900 -0.451 0.000 1.138 293 G CA 0.509 45.132 45.100 -0.794 0.000 0.793 293 G HN 0.248 nan 8.290 nan 0.000 0.539 294 V N -0.671 119.147 119.914 -0.160 0.000 3.307 294 V HA 0.259 4.381 4.120 0.003 0.000 0.253 294 V C 1.655 177.491 176.094 -0.430 0.000 1.149 294 V CA 0.562 62.711 62.300 -0.252 0.000 1.112 294 V CB -0.265 31.341 31.823 -0.361 0.000 0.777 294 V HN 0.259 nan 8.190 nan 0.000 0.464 295 F N -1.485 118.415 119.950 -0.083 0.000 2.720 295 F HA 0.386 4.915 4.527 0.004 0.000 0.301 295 F C 0.894 176.710 175.800 0.028 0.000 1.103 295 F CA -1.214 56.739 58.000 -0.077 0.000 1.291 295 F CB -0.002 38.868 39.000 -0.217 0.000 1.086 295 F HN 0.057 nan 8.300 nan 0.000 0.592 296 F N 2.253 122.238 119.950 0.059 0.000 2.628 296 F HA 0.028 4.557 4.527 0.003 0.000 0.362 296 F C 1.258 177.110 175.800 0.086 0.000 1.148 296 F CA -0.172 57.865 58.000 0.062 0.000 1.352 296 F CB -0.015 38.988 39.000 0.005 0.000 1.081 296 F HN 0.192 nan 8.300 nan 0.000 0.605 297 N N 3.015 121.214 118.700 -0.835 0.000 2.725 297 N HA -0.286 4.456 4.740 0.003 0.000 0.251 297 N C -0.025 175.336 175.510 -0.248 0.000 1.031 297 N CA 1.307 53.956 53.050 -0.668 0.000 0.720 297 N CB -0.931 37.069 38.487 -0.811 0.000 0.930 297 N HN 0.703 nan 8.380 nan 0.000 0.543 298 Q N -2.229 117.507 119.800 -0.107 0.000 2.480 298 Q HA -0.184 4.158 4.340 0.003 0.000 0.265 298 Q C 1.368 177.394 176.000 0.043 0.000 1.072 298 Q CA 2.265 58.063 55.803 -0.008 0.000 1.018 298 Q CB -1.882 26.824 28.738 -0.053 0.000 1.433 298 Q HN 1.122 nan 8.270 nan 0.000 0.513 299 G N -0.265 108.564 108.800 0.049 0.000 2.284 299 G HA2 -0.453 3.509 3.960 0.003 0.000 0.268 299 G HA3 -0.453 3.509 3.960 0.003 0.000 0.268 299 G C 0.507 175.451 174.900 0.073 0.000 0.980 299 G CA 0.977 46.098 45.100 0.034 0.000 0.631 299 G HN 0.743 nan 8.290 nan 0.000 0.548 300 Q N -0.012 119.847 119.800 0.099 0.000 2.294 300 Q HA 0.394 4.737 4.340 0.003 0.000 0.256 300 Q C 0.733 176.836 176.000 0.171 0.000 0.907 300 Q CA 0.197 56.140 55.803 0.233 0.000 0.954 300 Q CB -0.608 28.324 28.738 0.323 0.000 1.102 300 Q HN 0.996 nan 8.270 nan 0.000 0.429 301 C N -0.902 118.456 119.300 0.097 0.000 2.345 301 C HA 0.548 5.010 4.460 0.003 0.000 0.323 301 C C 1.978 177.070 174.990 0.169 0.000 1.276 301 C CA -0.969 58.106 59.018 0.094 0.000 1.543 301 C CB 0.286 28.141 27.740 0.192 0.000 2.211 301 C HN 0.695 nan 8.230 nan 0.000 0.493 302 C N 1.802 121.181 119.300 0.132 0.000 2.403 302 C HA -0.106 4.356 4.460 0.003 0.000 0.282 302 C C 2.362 177.463 174.990 0.184 0.000 1.297 302 C CA 1.799 60.894 59.018 0.129 0.000 1.785 302 C CB -2.469 25.312 27.740 0.069 0.000 1.963 302 C HN 1.046 nan 8.230 nan 0.000 0.507 303 T N -1.406 113.293 114.554 0.242 0.000 3.194 303 T HA 0.469 4.821 4.350 0.003 0.000 0.251 303 T C 0.533 175.383 174.700 0.249 0.000 1.132 303 T CA 0.584 62.833 62.100 0.249 0.000 1.028 303 T CB -0.393 68.620 68.868 0.242 0.000 0.976 303 T HN 0.892 nan 8.240 nan 0.000 0.535 304 A N 0.048 122.999 122.820 0.218 0.000 2.269 304 A HA 0.820 5.142 4.320 0.003 0.000 0.319 304 A C 0.418 178.151 177.584 0.248 0.000 1.110 304 A CA -0.546 51.595 52.037 0.174 0.000 0.847 304 A CB 0.971 20.035 19.000 0.107 0.000 1.161 304 A HN 0.645 nan 8.150 nan 0.000 0.497 305 G N -0.254 108.720 108.800 0.290 0.000 2.704 305 G HA2 0.466 4.428 3.960 0.003 0.000 0.279 305 G HA3 0.466 4.428 3.960 0.003 0.000 0.279 305 G C 0.523 175.505 174.900 0.137 0.000 1.510 305 G CA 0.477 45.721 45.100 0.240 0.000 1.144 305 G HN 1.144 nan 8.290 nan 0.000 0.564 306 S N 2.736 118.473 115.700 0.062 0.000 2.363 306 S HA -0.131 4.341 4.470 0.003 0.000 0.218 306 S C 1.487 176.089 174.600 0.004 0.000 1.035 306 S CA 0.621 58.819 58.200 -0.005 0.000 1.043 306 S CB -0.479 62.724 63.200 0.005 0.000 0.986 306 S HN 0.832 nan 8.310 nan 0.000 0.423 307 R N 2.267 122.770 120.500 0.005 0.000 2.494 307 R HA 0.089 4.431 4.340 0.003 0.000 0.291 307 R C -0.654 175.605 176.300 -0.069 0.000 0.953 307 R CA 0.607 56.658 56.100 -0.082 0.000 1.098 307 R CB -0.670 29.587 30.300 -0.072 0.000 0.911 307 R HN 0.562 nan 8.270 nan 0.000 0.407 308 I N 3.911 124.375 120.570 -0.177 0.000 2.641 308 I HA 0.172 4.344 4.170 0.003 0.000 0.275 308 I C -0.663 175.345 176.117 -0.182 0.000 1.129 308 I CA -0.823 60.414 61.300 -0.105 0.000 1.094 308 I CB 0.563 38.529 38.000 -0.057 0.000 1.232 308 I HN 0.407 nan 8.210 nan 0.000 0.503 309 F N 4.764 124.656 119.950 -0.097 0.000 2.557 309 F HA 0.184 4.711 4.527 0.001 0.000 0.384 309 F C 0.556 176.363 175.800 0.011 0.000 1.057 309 F CA 0.016 57.973 58.000 -0.071 0.000 1.169 309 F CB 0.331 39.147 39.000 -0.307 0.000 1.070 309 F HN 0.028 nan 8.300 nan 0.000 0.554 310 V N 3.110 123.207 119.914 0.306 0.000 2.715 310 V HA 0.276 4.398 4.120 0.003 0.000 0.310 310 V C -0.023 176.155 176.094 0.139 0.000 1.054 310 V CA -1.310 61.100 62.300 0.183 0.000 0.928 310 V CB 1.852 33.596 31.823 -0.132 0.000 1.007 310 V HN 0.656 nan 8.190 nan 0.000 0.437 311 E N 1.740 121.842 120.200 -0.162 0.000 2.373 311 E HA 0.121 4.473 4.350 0.003 0.000 0.267 311 E C 0.791 177.240 176.600 -0.252 0.000 1.032 311 E CA -0.083 55.902 56.400 -0.691 0.000 0.889 311 E CB 0.866 30.316 29.700 -0.418 0.000 0.984 311 E HN 0.711 nan 8.360 nan 0.000 0.425 312 E N 1.395 121.421 120.200 -0.289 0.000 2.070 312 E HA -0.214 4.138 4.350 0.003 0.000 0.197 312 E C 1.749 178.353 176.600 0.008 0.000 1.004 312 E CA 1.674 58.021 56.400 -0.089 0.000 0.805 312 E CB -0.011 29.612 29.700 -0.127 0.000 0.744 312 E HN 0.475 nan 8.360 nan 0.000 0.451 313 S N 0.661 116.347 115.700 -0.023 0.000 2.461 313 S HA -0.176 4.296 4.470 0.003 0.000 0.246 313 S C 1.948 176.582 174.600 0.057 0.000 1.007 313 S CA 1.452 59.665 58.200 0.021 0.000 0.976 313 S CB -0.367 62.845 63.200 0.020 0.000 0.763 313 S HN 0.452 nan 8.310 nan 0.000 0.508 314 I N -4.318 116.297 120.570 0.076 0.000 4.557 314 I HA 0.333 4.505 4.170 0.003 0.000 0.333 314 I C 1.560 177.762 176.117 0.143 0.000 1.332 314 I CA -0.397 60.968 61.300 0.109 0.000 1.240 314 I CB -0.192 37.882 38.000 0.124 0.000 1.312 314 I HN -0.008 nan 8.210 nan 0.000 0.457 315 Y N 3.023 123.338 120.300 0.025 0.000 2.228 315 Y HA -0.327 4.224 4.550 0.003 0.000 0.285 315 Y C 2.324 178.283 175.900 0.098 0.000 1.178 315 Y CA 2.461 60.588 58.100 0.044 0.000 1.202 315 Y CB -0.073 38.385 38.460 -0.004 0.000 0.974 315 Y HN 0.481 nan 8.280 nan 0.000 0.527 316 E N 0.302 120.560 120.200 0.097 0.000 1.996 316 E HA -0.201 4.151 4.350 0.003 0.000 0.197 316 E C 2.182 178.773 176.600 -0.015 0.000 1.002 316 E CA 1.832 58.254 56.400 0.036 0.000 0.840 316 E CB -0.461 29.283 29.700 0.075 0.000 0.786 316 E HN 0.332 nan 8.360 nan 0.000 0.469 317 E N -0.107 120.109 120.200 0.027 0.000 2.070 317 E HA -0.205 4.147 4.350 0.003 0.000 0.197 317 E C 2.037 178.633 176.600 -0.008 0.000 1.004 317 E CA 1.127 57.533 56.400 0.011 0.000 0.805 317 E CB -0.709 29.010 29.700 0.030 0.000 0.744 317 E HN 0.349 nan 8.360 nan 0.000 0.451 318 F N 1.267 121.166 119.950 -0.085 0.000 2.063 318 F HA -0.295 4.234 4.527 0.003 0.000 0.298 318 F C 2.367 178.088 175.800 -0.132 0.000 1.109 318 F CA 1.572 59.516 58.000 -0.093 0.000 1.212 318 F CB -0.548 38.402 39.000 -0.083 0.000 0.973 318 F HN -0.156 nan 8.300 nan 0.000 0.480 319 V N 0.634 120.573 119.914 0.041 0.000 2.282 319 V HA -0.386 3.736 4.120 0.003 0.000 0.249 319 V C 2.418 178.454 176.094 -0.097 0.000 1.057 319 V CA 2.499 64.762 62.300 -0.061 0.000 1.032 319 V CB -0.790 30.879 31.823 -0.256 0.000 0.645 319 V HN 0.335 nan 8.190 nan 0.000 0.447 320 K N -0.414 119.927 120.400 -0.100 0.000 2.026 320 K HA -0.131 4.191 4.320 0.003 0.000 0.208 320 K C 2.408 178.931 176.600 -0.130 0.000 1.048 320 K CA 1.258 57.492 56.287 -0.088 0.000 0.929 320 K CB -0.257 32.206 32.500 -0.062 0.000 0.713 320 K HN 0.380 nan 8.250 nan 0.000 0.439 321 R N 0.421 120.809 120.500 -0.188 0.000 2.081 321 R HA -0.073 4.269 4.340 0.003 0.000 0.235 321 R C 2.471 178.593 176.300 -0.296 0.000 1.131 321 R CA 1.116 57.075 56.100 -0.236 0.000 0.960 321 R CB -0.841 29.291 30.300 -0.280 0.000 0.856 321 R HN 0.137 nan 8.270 nan 0.000 0.436 322 S N 1.006 116.461 115.700 -0.409 0.000 2.400 322 S HA -0.107 4.365 4.470 0.003 0.000 0.232 322 S C 2.064 176.618 174.600 -0.075 0.000 1.025 322 S CA 1.530 59.541 58.200 -0.315 0.000 0.993 322 S CB -0.167 62.841 63.200 -0.320 0.000 0.808 322 S HN 0.329 nan 8.310 nan 0.000 0.478 323 V N -1.320 118.547 119.914 -0.078 0.000 2.878 323 V HA 0.166 4.288 4.120 0.003 0.000 0.250 323 V C 1.954 178.006 176.094 -0.071 0.000 1.075 323 V CA 1.107 63.387 62.300 -0.034 0.000 1.096 323 V CB -0.851 30.955 31.823 -0.028 0.000 0.724 323 V HN 0.352 nan 8.190 nan 0.000 0.467 324 E N 0.668 120.803 120.200 -0.107 0.000 2.058 324 E HA -0.181 4.171 4.350 0.003 0.000 0.194 324 E C 2.466 178.978 176.600 -0.146 0.000 0.997 324 E CA 1.536 57.868 56.400 -0.114 0.000 0.801 324 E CB -0.203 29.426 29.700 -0.119 0.000 0.746 324 E HN 0.479 nan 8.360 nan 0.000 0.450 325 R N 0.440 120.805 120.500 -0.225 0.000 2.082 325 R HA -0.133 4.209 4.340 0.003 0.000 0.234 325 R C 2.392 178.544 176.300 -0.246 0.000 1.136 325 R CA 1.303 57.183 56.100 -0.367 0.000 0.935 325 R CB -0.857 28.960 30.300 -0.805 0.000 0.842 325 R HN 0.168 nan 8.270 nan 0.000 0.430 326 A N 1.557 124.335 122.820 -0.070 0.000 1.986 326 A HA -0.226 4.096 4.320 0.003 0.000 0.220 326 A C 2.127 179.646 177.584 -0.108 0.000 1.171 326 A CA 1.771 53.787 52.037 -0.034 0.000 0.640 326 A CB -0.363 18.636 19.000 -0.002 0.000 0.811 326 A HN 0.303 nan 8.150 nan 0.000 0.451 327 K N -0.706 119.640 120.400 -0.089 0.000 2.057 327 K HA -0.099 4.223 4.320 0.003 0.000 0.206 327 K C 1.949 178.502 176.600 -0.078 0.000 1.050 327 K CA 1.499 57.739 56.287 -0.078 0.000 0.935 327 K CB -0.140 32.319 32.500 -0.068 0.000 0.715 327 K HN 0.491 nan 8.250 nan 0.000 0.439 328 R N 0.721 121.167 120.500 -0.089 0.000 2.310 328 R HA 0.059 4.401 4.340 0.003 0.000 0.202 328 R C 0.530 176.790 176.300 -0.067 0.000 0.933 328 R CA -0.127 55.928 56.100 -0.075 0.000 1.054 328 R CB -0.039 30.213 30.300 -0.081 0.000 0.985 328 R HN -0.005 nan 8.270 nan 0.000 0.489 329 R N 1.866 122.318 120.500 -0.079 0.000 2.446 329 R HA 0.012 4.354 4.340 0.003 0.000 0.314 329 R C -0.570 175.708 176.300 -0.037 0.000 1.003 329 R CA -0.040 56.024 56.100 -0.060 0.000 1.018 329 R CB 0.234 30.465 30.300 -0.115 0.000 0.945 329 R HN -0.064 nan 8.270 nan 0.000 0.419 330 I N 5.859 126.425 120.570 -0.007 0.000 2.389 330 I HA 0.016 4.188 4.170 0.003 0.000 0.295 330 I C -0.407 175.731 176.117 0.035 0.000 1.117 330 I CA 0.393 61.698 61.300 0.008 0.000 1.317 330 I CB 0.931 38.942 38.000 0.020 0.000 1.431 330 I HN 0.258 nan 8.210 nan 0.000 0.521 331 V N 6.775 126.709 119.914 0.034 0.000 2.350 331 V HA 0.875 4.997 4.120 0.003 0.000 0.276 331 V C 0.668 176.796 176.094 0.057 0.000 1.028 331 V CA -0.087 62.274 62.300 0.102 0.000 0.860 331 V CB 0.540 32.440 31.823 0.128 0.000 0.990 331 V HN 0.916 nan 8.190 nan 0.000 0.453 332 G N 2.829 111.701 108.800 0.121 0.000 2.677 332 G HA2 0.424 4.387 3.960 0.003 0.000 0.283 332 G HA3 0.424 4.387 3.960 0.003 0.000 0.283 332 G C -0.696 174.280 174.900 0.127 0.000 1.221 332 G CA -0.299 44.782 45.100 -0.031 0.000 0.851 332 G HN 0.550 nan 8.290 nan 0.000 0.504 333 S N 1.589 117.305 115.700 0.026 0.000 2.533 333 S HA 0.341 4.813 4.470 0.003 0.000 0.282 333 S C -0.519 174.161 174.600 0.134 0.000 1.304 333 S CA -0.723 57.532 58.200 0.091 0.000 1.063 333 S CB 1.205 64.409 63.200 0.007 0.000 0.881 333 S HN 0.325 nan 8.310 nan 0.000 0.493 334 P HA -0.132 nan 4.420 nan 0.000 0.217 334 P C 0.996 178.481 177.300 0.308 0.000 1.148 334 P CA 1.231 64.420 63.100 0.149 0.000 0.828 334 P CB -0.071 31.654 31.700 0.042 0.000 0.783 335 F N 0.126 120.118 119.950 0.069 0.000 2.661 335 F HA 0.047 4.576 4.527 0.004 0.000 0.298 335 F C 1.105 176.900 175.800 -0.008 0.000 1.137 335 F CA -0.441 57.558 58.000 -0.001 0.000 1.454 335 F CB -1.300 37.658 39.000 -0.069 0.000 1.103 335 F HN -0.031 nan 8.300 nan 0.000 0.577 336 D N 2.647 123.172 120.400 0.209 0.000 2.336 336 D HA 0.054 4.696 4.640 0.003 0.000 0.249 336 D C -1.587 174.789 176.300 0.126 0.000 1.213 336 D CA -2.311 51.760 54.000 0.119 0.000 0.870 336 D CB 1.146 41.995 40.800 0.082 0.000 1.076 336 D HN 0.014 nan 8.370 nan 0.000 0.483 337 P HA -0.158 nan 4.420 nan 0.000 0.227 337 P C 0.846 178.210 177.300 0.107 0.000 1.145 337 P CA 1.068 64.238 63.100 0.117 0.000 0.769 337 P CB -0.003 31.744 31.700 0.078 0.000 0.769 338 T N -4.839 109.765 114.554 0.085 0.000 3.022 338 T HA 0.049 4.401 4.350 0.003 0.000 0.250 338 T C 0.844 175.590 174.700 0.077 0.000 1.060 338 T CA 0.009 62.151 62.100 0.071 0.000 1.013 338 T CB -1.012 67.882 68.868 0.043 0.000 0.982 338 T HN 0.171 nan 8.240 nan 0.000 0.508 339 T N 0.613 115.224 114.554 0.095 0.000 2.884 339 T HA 0.382 4.734 4.350 0.003 0.000 0.298 339 T C 0.568 175.340 174.700 0.119 0.000 0.998 339 T CA -0.606 61.555 62.100 0.101 0.000 1.124 339 T CB 1.631 70.572 68.868 0.122 0.000 0.931 339 T HN 0.365 nan 8.240 nan 0.000 0.531 340 E N 1.435 121.698 120.200 0.105 0.000 2.244 340 E HA 0.049 4.401 4.350 0.003 0.000 0.196 340 E C 0.783 177.450 176.600 0.111 0.000 0.939 340 E CA -0.012 56.457 56.400 0.115 0.000 0.884 340 E CB 0.443 30.201 29.700 0.096 0.000 0.850 340 E HN 0.719 nan 8.360 nan 0.000 0.481 341 Q N 1.079 120.940 119.800 0.101 0.000 2.368 341 Q HA 0.381 4.723 4.340 0.003 0.000 0.263 341 Q C -0.337 175.740 176.000 0.128 0.000 1.009 341 Q CA -0.589 55.269 55.803 0.092 0.000 0.818 341 Q CB 1.443 30.224 28.738 0.072 0.000 1.239 341 Q HN 0.134 nan 8.270 nan 0.000 0.464 342 G N 3.700 112.521 108.800 0.035 0.000 2.508 342 G HA2 0.462 4.424 3.960 0.003 0.000 0.278 342 G HA3 0.462 4.424 3.960 0.003 0.000 0.278 342 G C -2.479 172.154 174.900 -0.445 0.000 1.389 342 G CA -0.920 44.140 45.100 -0.067 0.000 1.050 342 G HN 0.554 nan 8.290 nan 0.000 0.522 343 P HA 0.203 nan 4.420 nan 0.000 0.278 343 P C -0.780 176.295 177.300 -0.376 0.000 1.266 343 P CA -0.443 62.010 63.100 -1.080 0.000 0.807 343 P CB 1.097 32.023 31.700 -1.290 0.000 1.094 344 Q N 0.388 120.091 119.800 -0.162 0.000 2.382 344 Q HA 0.126 4.468 4.340 0.003 0.000 0.229 344 Q C 1.056 176.956 176.000 -0.167 0.000 1.006 344 Q CA -0.399 55.343 55.803 -0.101 0.000 0.916 344 Q CB 0.366 29.108 28.738 0.006 0.000 1.235 344 Q HN 0.405 nan 8.270 nan 0.000 0.512 345 I N 0.093 120.448 120.570 -0.359 0.000 2.439 345 I HA -0.132 4.040 4.170 0.003 0.000 0.251 345 I C 0.078 175.890 176.117 -0.508 0.000 1.139 345 I CA 1.437 62.444 61.300 -0.489 0.000 1.438 345 I CB 0.317 37.710 38.000 -1.011 0.000 1.085 345 I HN 0.437 nan 8.210 nan 0.000 0.427 346 D N -2.053 117.946 120.400 -0.669 0.000 2.559 346 D HA 0.190 4.832 4.640 0.003 0.000 0.250 346 D C 0.395 175.980 176.300 -1.193 0.000 1.135 346 D CA -0.404 53.099 54.000 -0.829 0.000 0.955 346 D CB 2.045 42.545 40.800 -0.500 0.000 1.442 346 D HN -0.156 nan 8.370 nan 0.000 0.471 347 K N 0.780 120.515 120.400 -1.109 0.000 2.076 347 K HA -0.008 4.314 4.320 0.003 0.000 0.204 347 K C 1.626 178.106 176.600 -0.201 0.000 1.051 347 K CA 1.130 57.023 56.287 -0.656 0.000 0.949 347 K CB 0.160 32.533 32.500 -0.213 0.000 0.726 347 K HN 0.178 nan 8.250 nan 0.000 0.443 348 K N 0.289 120.580 120.400 -0.182 0.000 2.032 348 K HA -0.275 4.047 4.320 0.003 0.000 0.209 348 K C 2.319 178.910 176.600 -0.015 0.000 1.048 348 K CA 1.993 58.244 56.287 -0.060 0.000 0.927 348 K CB -0.073 32.393 32.500 -0.057 0.000 0.712 348 K HN 0.147 nan 8.250 nan 0.000 0.441 349 Q N -0.283 119.469 119.800 -0.080 0.000 2.046 349 Q HA -0.198 4.144 4.340 0.003 0.000 0.200 349 Q C 1.876 177.899 176.000 0.039 0.000 0.975 349 Q CA 1.796 57.622 55.803 0.039 0.000 0.836 349 Q CB -0.562 28.108 28.738 -0.113 0.000 0.896 349 Q HN 0.445 nan 8.270 nan 0.000 0.428 350 Y N 0.934 121.116 120.300 -0.196 0.000 2.069 350 Y HA -0.357 4.196 4.550 0.006 0.000 0.278 350 Y C 1.775 177.645 175.900 -0.049 0.000 1.175 350 Y CA 2.403 60.428 58.100 -0.124 0.000 1.134 350 Y CB -0.432 37.947 38.460 -0.135 0.000 0.965 350 Y HN 0.267 nan 8.280 nan 0.000 0.498 351 N N 0.437 119.154 118.700 0.028 0.000 2.106 351 N HA -0.194 4.548 4.740 0.003 0.000 0.188 351 N C 1.908 177.384 175.510 -0.057 0.000 1.029 351 N CA 1.556 54.588 53.050 -0.030 0.000 0.848 351 N CB -0.562 37.969 38.487 0.074 0.000 1.007 351 N HN 0.392 nan 8.380 nan 0.000 0.423 352 K N 0.907 121.324 120.400 0.029 0.000 2.218 352 K HA -0.087 4.235 4.320 0.003 0.000 0.205 352 K C 1.929 178.483 176.600 -0.076 0.000 1.046 352 K CA 0.851 57.196 56.287 0.096 0.000 0.933 352 K CB -0.007 32.703 32.500 0.351 0.000 0.728 352 K HN 0.159 nan 8.250 nan 0.000 0.454 353 I N 0.340 120.761 120.570 -0.249 0.000 2.206 353 I HA -0.267 3.905 4.170 0.003 0.000 0.239 353 I C 2.157 178.124 176.117 -0.251 0.000 1.078 353 I CA 0.870 61.928 61.300 -0.403 0.000 1.367 353 I CB -0.343 37.406 38.000 -0.418 0.000 1.078 353 I HN 0.106 nan 8.210 nan 0.000 0.413 354 L N 0.503 121.563 121.223 -0.272 0.000 2.043 354 L HA -0.245 4.097 4.340 0.003 0.000 0.212 354 L C 2.541 179.354 176.870 -0.094 0.000 1.075 354 L CA 1.409 56.130 54.840 -0.199 0.000 0.752 354 L CB -0.639 41.257 42.059 -0.272 0.000 0.891 354 L HN 0.236 nan 8.230 nan 0.000 0.432 355 E N -0.020 120.133 120.200 -0.078 0.000 2.209 355 E HA -0.222 4.130 4.350 0.003 0.000 0.196 355 E C 1.897 178.491 176.600 -0.009 0.000 0.993 355 E CA 0.979 57.365 56.400 -0.023 0.000 0.819 355 E CB -0.089 29.611 29.700 -0.000 0.000 0.745 355 E HN 0.220 nan 8.360 nan 0.000 0.477 356 L N -0.463 120.743 121.223 -0.027 0.000 2.375 356 L HA 0.159 4.501 4.340 0.003 0.000 0.215 356 L C 1.628 178.515 176.870 0.027 0.000 1.108 356 L CA 0.702 55.538 54.840 -0.007 0.000 0.830 356 L CB 0.066 42.105 42.059 -0.032 0.000 0.959 356 L HN 0.148 nan 8.230 nan 0.000 0.457 357 I N -1.252 119.342 120.570 0.039 0.000 2.439 357 I HA -0.255 3.917 4.170 0.003 0.000 0.251 357 I C 2.178 178.399 176.117 0.174 0.000 1.139 357 I CA 0.878 62.274 61.300 0.161 0.000 1.438 357 I CB -0.262 37.777 38.000 0.065 0.000 1.085 357 I HN 0.357 nan 8.210 nan 0.000 0.427 358 Q N 0.168 120.012 119.800 0.074 0.000 2.046 358 Q HA -0.180 4.162 4.340 0.003 0.000 0.200 358 Q C 2.432 178.452 176.000 0.033 0.000 0.975 358 Q CA 1.787 57.625 55.803 0.058 0.000 0.836 358 Q CB -0.230 28.525 28.738 0.029 0.000 0.896 358 Q HN 0.417 nan 8.270 nan 0.000 0.428 359 S N 0.384 116.091 115.700 0.010 0.000 2.368 359 S HA -0.224 4.248 4.470 0.003 0.000 0.226 359 S C 1.969 176.525 174.600 -0.073 0.000 1.044 359 S CA 1.739 59.926 58.200 -0.021 0.000 1.062 359 S CB -0.850 62.338 63.200 -0.019 0.000 0.931 359 S HN 0.548 nan 8.310 nan 0.000 0.440 360 G N 0.996 109.717 108.800 -0.132 0.000 2.545 360 G HA2 -0.204 3.758 3.960 0.003 0.000 0.217 360 G HA3 -0.204 3.758 3.960 0.003 0.000 0.217 360 G C 1.554 176.274 174.900 -0.300 0.000 1.218 360 G CA 1.316 46.189 45.100 -0.378 0.000 0.787 360 G HN 0.496 nan 8.290 nan 0.000 0.571 361 V N 1.654 121.511 119.914 -0.094 0.000 2.278 361 V HA -0.148 3.974 4.120 0.003 0.000 0.251 361 V C 2.701 178.793 176.094 -0.004 0.000 1.062 361 V CA 1.896 64.222 62.300 0.043 0.000 1.038 361 V CB -0.759 31.157 31.823 0.155 0.000 0.646 361 V HN 0.508 nan 8.190 nan 0.000 0.447 362 A N -0.938 121.876 122.820 -0.010 0.000 3.117 362 A HA 0.310 4.632 4.320 0.003 0.000 0.255 362 A C 1.135 178.700 177.584 -0.032 0.000 1.583 362 A CA 0.561 52.592 52.037 -0.010 0.000 1.234 362 A CB -0.449 18.551 19.000 0.001 0.000 1.076 362 A HN 0.646 nan 8.150 nan 0.000 0.653 363 E N -1.589 118.578 120.200 -0.054 0.000 2.436 363 E HA 0.229 4.581 4.350 0.003 0.000 0.167 363 E C 0.838 177.396 176.600 -0.068 0.000 0.898 363 E CA 0.729 57.093 56.400 -0.061 0.000 1.354 363 E CB 0.107 29.760 29.700 -0.080 0.000 1.442 363 E HN 0.860 nan 8.360 nan 0.000 0.671 364 G N 0.813 109.573 108.800 -0.068 0.000 2.380 364 G HA2 -0.170 3.792 3.960 0.003 0.000 0.197 364 G HA3 -0.170 3.792 3.960 0.003 0.000 0.197 364 G C 0.364 175.223 174.900 -0.070 0.000 1.001 364 G CA -0.185 44.882 45.100 -0.054 0.000 0.668 364 G HN 0.514 nan 8.290 nan 0.000 0.483 365 A N 1.184 123.903 122.820 -0.169 0.000 2.515 365 A HA 0.494 4.816 4.320 0.003 0.000 0.263 365 A C 0.637 178.223 177.584 0.003 0.000 1.096 365 A CA 1.003 52.891 52.037 -0.249 0.000 0.769 365 A CB 0.097 18.579 19.000 -0.863 0.000 1.040 365 A HN 0.570 nan 8.150 nan 0.000 0.505 366 K N 3.790 124.273 120.400 0.138 0.000 2.262 366 K HA 0.213 4.535 4.320 0.003 0.000 0.288 366 K C -0.546 176.273 176.600 0.364 0.000 1.090 366 K CA -0.507 55.905 56.287 0.209 0.000 0.918 366 K CB 0.035 32.622 32.500 0.146 0.000 1.139 366 K HN 0.604 nan 8.250 nan 0.000 0.462 367 L N 5.321 126.768 121.223 0.374 0.000 2.530 367 L HA 0.007 4.349 4.340 0.003 0.000 0.273 367 L C 0.917 177.819 176.870 0.053 0.000 1.141 367 L CA 0.735 55.679 54.840 0.172 0.000 0.905 367 L CB 0.535 42.655 42.059 0.102 0.000 1.202 367 L HN 0.689 nan 8.230 nan 0.000 0.473 368 E N 3.934 124.137 120.200 0.006 0.000 2.318 368 E HA 0.079 4.431 4.350 0.003 0.000 0.193 368 E C 0.207 176.790 176.600 -0.029 0.000 0.998 368 E CA 0.704 57.109 56.400 0.008 0.000 0.859 368 E CB 0.094 29.809 29.700 0.025 0.000 0.812 368 E HN 0.776 nan 8.360 nan 0.000 0.492 369 C N -3.456 115.799 119.300 -0.075 0.000 3.197 369 C HA 0.680 5.142 4.460 0.003 0.000 0.343 369 C C 0.763 175.688 174.990 -0.108 0.000 1.291 369 C CA -0.652 58.324 59.018 -0.071 0.000 1.191 369 C CB 0.795 28.504 27.740 -0.052 0.000 1.444 369 C HN 0.508 nan 8.230 nan 0.000 0.468 370 G N 0.308 109.060 108.800 -0.080 0.000 2.682 370 G HA2 0.396 4.358 3.960 0.003 0.000 0.256 370 G HA3 0.396 4.358 3.960 0.003 0.000 0.256 370 G C 0.908 175.745 174.900 -0.105 0.000 1.333 370 G CA 1.521 46.572 45.100 -0.081 0.000 0.904 370 G HN 3.281 nan 8.290 nan 0.000 0.569 371 G N -1.976 106.767 108.800 -0.096 0.000 3.468 371 G HA2 0.355 4.317 3.960 0.003 0.000 0.219 371 G HA3 0.355 4.317 3.960 0.003 0.000 0.219 371 G C 0.241 175.111 174.900 -0.050 0.000 0.968 371 G CA 0.985 46.030 45.100 -0.092 0.000 0.851 371 G HN 1.703 nan 8.290 nan 0.000 0.524 372 K N 0.127 120.510 120.400 -0.028 0.000 2.283 372 K HA 0.758 5.080 4.320 0.003 0.000 0.257 372 K C 0.718 177.336 176.600 0.031 0.000 1.066 372 K CA -0.376 55.907 56.287 -0.007 0.000 0.891 372 K CB 0.947 33.457 32.500 0.018 0.000 1.438 372 K HN 0.449 nan 8.250 nan 0.000 0.464 373 G N 0.128 108.984 108.800 0.093 0.000 2.647 373 G HA2 0.176 4.138 3.960 0.003 0.000 0.271 373 G HA3 0.176 4.138 3.960 0.003 0.000 0.271 373 G C 0.327 175.333 174.900 0.177 0.000 1.300 373 G CA -0.536 44.712 45.100 0.246 0.000 0.997 373 G HN 0.466 nan 8.290 nan 0.000 0.533 374 L N -0.809 120.534 121.223 0.201 0.000 2.488 374 L HA 0.427 4.769 4.340 0.003 0.000 0.186 374 L C 1.496 178.382 176.870 0.028 0.000 1.124 374 L CA 0.892 55.786 54.840 0.091 0.000 0.838 374 L CB -0.041 42.064 42.059 0.078 0.000 1.107 374 L HN 0.719 nan 8.230 nan 0.000 0.494 375 G N -1.164 107.641 108.800 0.007 0.000 2.815 375 G HA2 0.444 4.406 3.960 0.003 0.000 0.305 375 G HA3 0.444 4.406 3.960 0.003 0.000 0.305 375 G C -1.551 173.313 174.900 -0.060 0.000 1.277 375 G CA -0.649 44.425 45.100 -0.043 0.000 0.795 375 G HN -0.142 nan 8.290 nan 0.000 0.528 376 R N 0.305 120.755 120.500 -0.084 0.000 2.707 376 R HA 0.504 4.846 4.340 0.003 0.000 0.270 376 R C 0.529 176.739 176.300 -0.150 0.000 1.083 376 R CA 0.191 56.229 56.100 -0.103 0.000 1.182 376 R CB 0.089 30.337 30.300 -0.087 0.000 1.084 376 R HN 0.702 nan 8.270 nan 0.000 0.528 377 K N -0.063 120.221 120.400 -0.193 0.000 1.497 377 K HA -0.241 4.081 4.320 0.003 0.000 0.694 377 K C 0.376 176.755 176.600 -0.369 0.000 1.790 377 K CA 0.837 56.960 56.287 -0.274 0.000 1.194 377 K CB -1.311 31.071 32.500 -0.196 0.000 2.108 377 K HN 1.052 nan 8.250 nan 0.000 0.560 378 G N -0.537 107.975 108.800 -0.481 0.000 2.707 378 G HA2 -0.221 3.741 3.960 0.003 0.000 0.279 378 G HA3 -0.221 3.741 3.960 0.003 0.000 0.279 378 G C -0.303 174.079 174.900 -0.863 0.000 1.345 378 G CA 0.403 45.225 45.100 -0.463 0.000 0.912 378 G HN 0.629 nan 8.290 nan 0.000 0.563 379 F N -0.607 119.280 119.950 -0.106 0.000 2.556 379 F HA 0.440 4.970 4.527 0.005 0.000 0.384 379 F C 0.232 176.020 175.800 -0.020 0.000 1.493 379 F CA -0.823 57.047 58.000 -0.216 0.000 1.119 379 F CB 0.125 39.003 39.000 -0.204 0.000 1.280 379 F HN 0.308 nan 8.300 nan 0.000 0.525 380 F N 1.678 121.715 119.950 0.145 0.000 2.410 380 F HA 0.547 5.076 4.527 0.003 0.000 0.334 380 F C 0.518 176.479 175.800 0.269 0.000 1.134 380 F CA -0.772 57.325 58.000 0.160 0.000 1.227 380 F CB 0.600 39.631 39.000 0.052 0.000 1.194 380 F HN -0.134 nan 8.300 nan 0.000 0.571 381 I N 0.869 121.626 120.570 0.312 0.000 2.722 381 I HA 0.239 4.411 4.170 0.003 0.000 0.295 381 I C -0.664 175.525 176.117 0.120 0.000 1.161 381 I CA -1.090 60.318 61.300 0.179 0.000 1.032 381 I CB 2.362 40.386 38.000 0.040 0.000 1.244 381 I HN 0.609 nan 8.210 nan 0.000 0.421 382 E N 4.795 125.036 120.200 0.068 0.000 2.373 382 E HA 0.306 4.658 4.350 0.003 0.000 0.263 382 E C -2.570 174.030 176.600 0.000 0.000 1.073 382 E CA -1.884 54.532 56.400 0.028 0.000 0.894 382 E CB 0.058 29.760 29.700 0.003 0.000 1.008 382 E HN 0.184 nan 8.360 nan 0.000 0.420 383 P HA 0.007 nan 4.420 nan 0.000 0.259 383 P C -1.083 176.206 177.300 -0.018 0.000 1.211 383 P CA 0.429 63.469 63.100 -0.101 0.000 0.810 383 P CB 0.301 31.817 31.700 -0.307 0.000 0.815 384 T N 3.337 117.936 114.554 0.075 0.000 2.767 384 T HA 0.404 4.756 4.350 0.003 0.000 0.284 384 T C -0.028 174.662 174.700 -0.016 0.000 0.973 384 T CA -0.369 61.688 62.100 -0.070 0.000 0.996 384 T CB 0.793 69.542 68.868 -0.197 0.000 0.927 384 T HN -0.057 nan 8.240 nan 0.000 0.456 385 V N 4.359 124.201 119.914 -0.120 0.000 2.487 385 V HA 0.548 4.670 4.120 0.003 0.000 0.298 385 V C -0.936 175.080 176.094 -0.131 0.000 1.028 385 V CA -0.865 61.422 62.300 -0.022 0.000 0.860 385 V CB 1.301 33.171 31.823 0.078 0.000 0.991 385 V HN 0.727 nan 8.190 nan 0.000 0.427 386 F N 2.131 122.120 119.950 0.066 0.000 2.470 386 F HA 0.757 5.291 4.527 0.012 0.000 0.329 386 F C 0.621 176.460 175.800 0.064 0.000 1.072 386 F CA -0.220 57.810 58.000 0.050 0.000 0.989 386 F CB 2.234 41.250 39.000 0.028 0.000 1.193 386 F HN 0.476 nan 8.300 nan 0.000 0.481 387 S N 0.686 116.589 115.700 0.338 0.000 2.709 387 S HA 0.453 4.925 4.470 0.003 0.000 0.302 387 S C -1.073 173.654 174.600 0.212 0.000 1.127 387 S CA -0.733 57.615 58.200 0.247 0.000 0.905 387 S CB 0.741 64.059 63.200 0.196 0.000 1.151 387 S HN 0.675 nan 8.310 nan 0.000 0.510 388 N N 0.252 119.106 118.700 0.257 0.000 2.666 388 N HA -0.135 4.607 4.740 0.003 0.000 0.274 388 N C -1.036 174.495 175.510 0.034 0.000 1.043 388 N CA 0.722 53.846 53.050 0.123 0.000 0.782 388 N CB -1.123 37.419 38.487 0.091 0.000 0.912 388 N HN 0.343 nan 8.380 nan 0.000 0.556 389 V N -0.388 119.534 119.914 0.014 0.000 2.630 389 V HA 0.758 4.880 4.120 0.003 0.000 0.305 389 V C 0.781 176.834 176.094 -0.068 0.000 1.046 389 V CA -0.436 61.833 62.300 -0.053 0.000 0.934 389 V CB 2.126 33.910 31.823 -0.065 0.000 1.003 389 V HN 0.523 nan 8.190 nan 0.000 0.451 390 T N -1.337 113.176 114.554 -0.067 0.000 2.916 390 T HA 0.408 4.760 4.350 0.003 0.000 0.292 390 T C 0.223 174.904 174.700 -0.031 0.000 1.055 390 T CA -0.637 61.438 62.100 -0.043 0.000 1.009 390 T CB 1.741 70.591 68.868 -0.030 0.000 1.118 390 T HN 0.505 nan 8.240 nan 0.000 0.497 391 D N 0.447 120.851 120.400 0.006 0.000 2.263 391 D HA -0.073 4.569 4.640 0.003 0.000 0.208 391 D C 1.585 177.895 176.300 0.016 0.000 0.971 391 D CA 1.113 55.131 54.000 0.031 0.000 0.867 391 D CB 0.046 40.889 40.800 0.071 0.000 0.929 391 D HN 0.766 nan 8.370 nan 0.000 0.492 392 D N -0.178 120.224 120.400 0.002 0.000 2.348 392 D HA -0.069 4.573 4.640 0.003 0.000 0.211 392 D C 0.730 177.022 176.300 -0.014 0.000 0.998 392 D CA 0.062 54.061 54.000 -0.001 0.000 0.873 392 D CB -0.050 40.748 40.800 -0.003 0.000 0.925 392 D HN 0.222 nan 8.370 nan 0.000 0.524 393 M N 0.561 120.143 119.600 -0.030 0.000 2.207 393 M HA 0.145 4.627 4.480 0.003 0.000 0.311 393 M C 1.731 178.009 176.300 -0.036 0.000 1.127 393 M CA -0.227 55.043 55.300 -0.050 0.000 1.181 393 M CB 1.493 34.039 32.600 -0.090 0.000 1.409 393 M HN -0.225 nan 8.290 nan 0.000 0.461 394 R N 1.451 121.927 120.500 -0.041 0.000 2.153 394 R HA -0.039 4.303 4.340 0.003 0.000 0.218 394 R C 1.693 177.985 176.300 -0.014 0.000 1.072 394 R CA 1.130 57.220 56.100 -0.017 0.000 0.990 394 R CB -0.326 29.966 30.300 -0.012 0.000 0.889 394 R HN 0.844 nan 8.270 nan 0.000 0.452 395 I N -2.468 118.071 120.570 -0.052 0.000 2.676 395 I HA 0.093 4.265 4.170 0.003 0.000 0.259 395 I C 1.941 178.046 176.117 -0.019 0.000 1.194 395 I CA 1.166 62.441 61.300 -0.042 0.000 1.473 395 I CB -0.141 37.788 38.000 -0.118 0.000 1.096 395 I HN 0.011 nan 8.210 nan 0.000 0.443 396 A N 1.597 124.399 122.820 -0.030 0.000 1.956 396 A HA 0.069 4.391 4.320 0.003 0.000 0.212 396 A C 2.374 179.972 177.584 0.024 0.000 1.188 396 A CA 0.458 52.486 52.037 -0.016 0.000 0.675 396 A CB -0.174 18.804 19.000 -0.036 0.000 0.845 396 A HN 0.267 nan 8.150 nan 0.000 0.455 397 K N 0.566 120.980 120.400 0.024 0.000 1.973 397 K HA -0.031 4.291 4.320 0.003 0.000 0.210 397 K C 0.214 176.849 176.600 0.058 0.000 1.045 397 K CA 0.786 57.098 56.287 0.042 0.000 0.937 397 K CB -0.215 32.304 32.500 0.032 0.000 0.721 397 K HN 0.530 nan 8.250 nan 0.000 0.438 398 E N 1.581 121.818 120.200 0.061 0.000 2.366 398 E HA -0.002 4.351 4.350 0.003 0.000 0.266 398 E C -0.213 176.455 176.600 0.114 0.000 1.051 398 E CA -0.125 56.330 56.400 0.092 0.000 0.884 398 E CB 0.856 30.618 29.700 0.102 0.000 1.006 398 E HN 0.131 nan 8.360 nan 0.000 0.417 399 E N 2.731 123.024 120.200 0.156 0.000 2.313 399 E HA 0.096 4.448 4.350 0.003 0.000 0.276 399 E C -0.908 175.848 176.600 0.261 0.000 1.031 399 E CA -0.645 55.864 56.400 0.182 0.000 0.857 399 E CB 0.620 30.432 29.700 0.187 0.000 1.040 399 E HN 0.250 nan 8.360 nan 0.000 0.408 400 I N 5.641 126.303 120.570 0.154 0.000 2.291 400 I HA 0.079 4.251 4.170 0.003 0.000 0.290 400 I C -0.109 176.037 176.117 0.049 0.000 1.050 400 I CA -0.475 60.839 61.300 0.022 0.000 1.245 400 I CB 0.088 38.065 38.000 -0.038 0.000 1.405 400 I HN 0.342 nan 8.210 nan 0.000 0.478 401 F N 3.905 123.887 119.950 0.054 0.000 2.833 401 F HA 0.812 5.337 4.527 -0.002 0.000 0.327 401 F C 0.713 176.552 175.800 0.065 0.000 1.184 401 F CA -0.913 57.130 58.000 0.071 0.000 1.328 401 F CB -0.776 38.290 39.000 0.110 0.000 1.440 401 F HN 0.396 nan 8.300 nan 0.000 0.569 402 G N 0.201 108.952 108.800 -0.082 0.000 2.606 402 G HA2 0.418 4.380 3.960 0.003 0.000 0.300 402 G HA3 0.418 4.380 3.960 0.003 0.000 0.300 402 G C -3.124 171.759 174.900 -0.028 0.000 1.360 402 G CA -1.334 43.723 45.100 -0.073 0.000 0.783 402 G HN -0.155 nan 8.290 nan 0.000 0.484 403 P HA 0.205 nan 4.420 nan 0.000 0.238 403 P C -0.496 176.958 177.300 0.256 0.000 1.649 403 P CA 0.264 63.542 63.100 0.296 0.000 0.960 403 P CB -0.101 31.780 31.700 0.303 0.000 1.911 404 V N 2.199 122.075 119.914 -0.064 0.000 2.525 404 V HA 0.286 4.408 4.120 0.003 0.000 0.299 404 V C 0.063 176.043 176.094 -0.190 0.000 1.034 404 V CA -0.589 61.669 62.300 -0.070 0.000 0.863 404 V CB 2.100 33.910 31.823 -0.022 0.000 0.999 404 V HN 0.258 nan 8.190 nan 0.000 0.423 405 Q N 2.410 122.123 119.800 -0.144 0.000 2.327 405 Q HA 0.748 5.090 4.340 0.003 0.000 0.270 405 Q C -1.089 174.950 176.000 0.065 0.000 1.022 405 Q CA -0.818 54.916 55.803 -0.116 0.000 0.773 405 Q CB 2.433 31.043 28.738 -0.213 0.000 1.251 405 Q HN 0.622 nan 8.270 nan 0.000 0.457 406 E N 3.005 123.248 120.200 0.070 0.000 2.283 406 E HA 0.380 4.732 4.350 0.003 0.000 0.278 406 E C -0.824 175.804 176.600 0.047 0.000 1.027 406 E CA -0.241 56.221 56.400 0.103 0.000 0.843 406 E CB 1.380 31.098 29.700 0.029 0.000 1.062 406 E HN 0.561 nan 8.360 nan 0.000 0.401 407 I N 4.532 125.164 120.570 0.102 0.000 2.354 407 I HA 0.195 4.367 4.170 0.003 0.000 0.286 407 I C -0.855 175.352 176.117 0.150 0.000 1.007 407 I CA -0.675 60.685 61.300 0.100 0.000 1.167 407 I CB 0.368 38.460 38.000 0.152 0.000 1.320 407 I HN 0.231 nan 8.210 nan 0.000 0.458 408 L N 6.462 127.675 121.223 -0.017 0.000 2.376 408 L HA 0.592 4.934 4.340 0.003 0.000 0.267 408 L C 0.146 177.068 176.870 0.087 0.000 1.035 408 L CA -0.485 54.314 54.840 -0.067 0.000 0.800 408 L CB 0.806 42.588 42.059 -0.460 0.000 1.290 408 L HN 0.506 nan 8.230 nan 0.000 0.462 409 R N 0.729 121.188 120.500 -0.067 0.000 2.628 409 R HA 0.655 4.997 4.340 0.003 0.000 0.288 409 R C -1.783 174.578 176.300 0.101 0.000 0.980 409 R CA -0.457 55.566 56.100 -0.128 0.000 0.891 409 R CB 1.547 31.397 30.300 -0.750 0.000 1.188 409 R HN 0.536 nan 8.270 nan 0.000 0.450 410 F N 1.538 121.471 119.950 -0.028 0.000 2.629 410 F HA 0.545 5.074 4.527 0.002 0.000 0.316 410 F C -0.074 175.722 175.800 -0.005 0.000 1.081 410 F CA -1.065 56.939 58.000 0.006 0.000 0.954 410 F CB 1.757 40.785 39.000 0.047 0.000 1.337 410 F HN 0.565 nan 8.300 nan 0.000 0.474 411 K N -0.098 120.269 120.400 -0.055 0.000 2.353 411 K HA 0.192 4.514 4.320 0.003 0.000 0.206 411 K C 0.323 176.939 176.600 0.026 0.000 1.191 411 K CA 0.863 57.073 56.287 -0.127 0.000 0.897 411 K CB 0.338 32.814 32.500 -0.039 0.000 1.283 411 K HN 0.920 nan 8.250 nan 0.000 0.477 412 T N -1.487 113.174 114.554 0.178 0.000 2.902 412 T HA 0.173 4.525 4.350 0.003 0.000 0.280 412 T C 1.148 176.065 174.700 0.362 0.000 0.992 412 T CA -0.742 61.486 62.100 0.213 0.000 1.015 412 T CB 1.451 70.397 68.868 0.131 0.000 1.044 412 T HN 0.187 nan 8.240 nan 0.000 0.520 413 M N 0.639 120.423 119.600 0.306 0.000 2.073 413 M HA -0.078 4.404 4.480 0.003 0.000 0.259 413 M C 1.682 178.066 176.300 0.140 0.000 1.079 413 M CA 1.863 57.354 55.300 0.319 0.000 1.131 413 M CB -0.603 32.137 32.600 0.233 0.000 1.316 413 M HN 0.748 nan 8.290 nan 0.000 0.415 414 D N 0.373 120.826 120.400 0.089 0.000 2.244 414 D HA -0.285 4.357 4.640 0.003 0.000 0.197 414 D C 1.644 177.947 176.300 0.004 0.000 1.006 414 D CA 1.848 55.867 54.000 0.031 0.000 0.888 414 D CB -0.409 40.409 40.800 0.030 0.000 0.912 414 D HN 0.618 nan 8.370 nan 0.000 0.452 415 E N 0.415 120.638 120.200 0.038 0.000 1.997 415 E HA -0.190 4.162 4.350 0.003 0.000 0.201 415 E C 2.485 179.015 176.600 -0.118 0.000 1.011 415 E CA 1.975 58.383 56.400 0.014 0.000 0.847 415 E CB 0.068 29.841 29.700 0.121 0.000 0.787 415 E HN 0.160 nan 8.360 nan 0.000 0.472 416 V N 0.266 120.030 119.914 -0.249 0.000 2.317 416 V HA -0.320 3.802 4.120 0.003 0.000 0.251 416 V C 2.393 178.199 176.094 -0.480 0.000 1.065 416 V CA 2.093 64.025 62.300 -0.613 0.000 1.049 416 V CB -1.108 30.104 31.823 -1.018 0.000 0.651 416 V HN 0.314 nan 8.190 nan 0.000 0.450 417 I N 0.090 120.500 120.570 -0.266 0.000 2.151 417 I HA -0.242 3.930 4.170 0.003 0.000 0.243 417 I C 2.787 178.798 176.117 -0.177 0.000 1.080 417 I CA 2.237 63.425 61.300 -0.187 0.000 1.339 417 I CB -0.534 37.410 38.000 -0.094 0.000 1.039 417 I HN 0.320 nan 8.210 nan 0.000 0.409 418 E N 0.750 120.865 120.200 -0.141 0.000 2.047 418 E HA -0.129 4.223 4.350 0.003 0.000 0.191 418 E C 2.328 178.854 176.600 -0.124 0.000 0.987 418 E CA 1.088 57.425 56.400 -0.105 0.000 0.799 418 E CB -0.088 29.575 29.700 -0.063 0.000 0.752 418 E HN 0.247 nan 8.360 nan 0.000 0.449 419 R N -0.286 120.109 120.500 -0.174 0.000 2.081 419 R HA -0.036 4.306 4.340 0.003 0.000 0.235 419 R C 2.177 178.350 176.300 -0.212 0.000 1.131 419 R CA 1.283 57.289 56.100 -0.158 0.000 0.960 419 R CB -0.337 29.870 30.300 -0.155 0.000 0.856 419 R HN 0.149 nan 8.270 nan 0.000 0.436 420 A N 1.102 123.666 122.820 -0.427 0.000 2.014 420 A HA -0.073 4.249 4.320 0.003 0.000 0.218 420 A C 1.643 179.136 177.584 -0.151 0.000 1.163 420 A CA 0.897 52.730 52.037 -0.339 0.000 0.652 420 A CB -0.201 18.503 19.000 -0.495 0.000 0.808 420 A HN 0.223 nan 8.150 nan 0.000 0.449 421 N N 0.643 119.258 118.700 -0.142 0.000 2.457 421 N HA -0.068 4.675 4.740 0.003 0.000 0.180 421 N C 0.211 175.685 175.510 -0.059 0.000 1.050 421 N CA 0.195 53.189 53.050 -0.094 0.000 0.906 421 N CB -0.311 38.119 38.487 -0.096 0.000 0.968 421 N HN 0.345 nan 8.380 nan 0.000 0.445 422 N N 1.439 120.114 118.700 -0.042 0.000 2.410 422 N HA -0.040 4.702 4.740 0.003 0.000 0.281 422 N C -1.176 174.343 175.510 0.015 0.000 1.241 422 N CA 0.479 53.523 53.050 -0.009 0.000 0.998 422 N CB -0.021 38.470 38.487 0.006 0.000 1.376 422 N HN -0.053 nan 8.380 nan 0.000 0.490 423 S N 2.435 118.142 115.700 0.012 0.000 2.649 423 S HA 0.161 4.633 4.470 0.003 0.000 0.274 423 S C -1.432 173.205 174.600 0.062 0.000 1.176 423 S CA -0.869 57.356 58.200 0.041 0.000 0.988 423 S CB 0.725 63.945 63.200 0.032 0.000 1.071 423 S HN 0.278 nan 8.310 nan 0.000 0.478 424 D N 4.259 124.737 120.400 0.130 0.000 2.470 424 D HA 0.307 4.949 4.640 0.003 0.000 0.226 424 D C -0.556 176.021 176.300 0.461 0.000 1.196 424 D CA 0.471 54.641 54.000 0.283 0.000 0.979 424 D CB -0.641 40.297 40.800 0.231 0.000 1.059 424 D HN 0.516 nan 8.370 nan 0.000 0.515 425 F N 0.562 120.511 119.950 -0.002 0.000 2.117 425 F HA -0.072 4.456 4.527 0.001 0.000 0.474 425 F C 0.918 176.721 175.800 0.004 0.000 1.237 425 F CA 0.672 58.670 58.000 -0.003 0.000 1.530 425 F CB -1.251 37.746 39.000 -0.005 0.000 2.435 425 F HN 0.596 nan 8.300 nan 0.000 0.727 426 G N 1.686 110.549 108.800 0.103 0.000 3.067 426 G HA2 0.476 4.438 3.960 0.003 0.000 0.686 426 G HA3 0.476 4.438 3.960 0.003 0.000 0.686 426 G C -1.859 173.071 174.900 0.049 0.000 1.119 426 G CA -0.531 44.616 45.100 0.079 0.000 0.790 426 G HN 2.071 nan 8.290 nan 0.000 0.605 427 L N 1.265 122.510 121.223 0.037 0.000 3.355 427 L HA 0.694 5.036 4.340 0.003 0.000 0.251 427 L C -1.289 175.603 176.870 0.036 0.000 0.980 427 L CA -0.636 54.224 54.840 0.034 0.000 1.051 427 L CB 1.701 43.760 42.059 -0.000 0.000 1.710 427 L HN 1.307 nan 8.230 nan 0.000 0.469 428 V N 3.092 123.048 119.914 0.069 0.000 2.733 428 V HA 0.993 5.115 4.120 0.003 0.000 0.306 428 V C -0.243 175.912 176.094 0.101 0.000 1.084 428 V CA 0.054 62.416 62.300 0.103 0.000 0.905 428 V CB 1.703 33.648 31.823 0.204 0.000 1.010 428 V HN 1.124 nan 8.190 nan 0.000 0.424 429 A N 3.200 126.071 122.820 0.084 0.000 2.354 429 A HA 1.012 5.334 4.320 0.003 0.000 0.321 429 A C -0.241 177.414 177.584 0.119 0.000 1.125 429 A CA -0.273 51.794 52.037 0.050 0.000 0.799 429 A CB 1.959 20.953 19.000 -0.010 0.000 1.293 429 A HN 1.711 nan 8.150 nan 0.000 0.452 430 A N 1.514 124.339 122.820 0.009 0.000 2.855 430 A HA 0.565 4.887 4.320 0.003 0.000 0.313 430 A C -0.537 177.077 177.584 0.051 0.000 1.173 430 A CA -0.300 51.736 52.037 -0.002 0.000 0.753 430 A CB 0.018 18.792 19.000 -0.377 0.000 1.200 430 A HN 1.028 nan 8.150 nan 0.000 0.442 431 V N 0.818 120.746 119.914 0.023 0.000 2.881 431 V HA 0.492 4.614 4.120 0.003 0.000 0.303 431 V C -0.432 175.648 176.094 -0.022 0.000 1.070 431 V CA 0.094 62.456 62.300 0.104 0.000 1.074 431 V CB 0.678 32.572 31.823 0.119 0.000 1.012 431 V HN 0.624 nan 8.190 nan 0.000 0.482 432 F N 1.660 121.757 119.950 0.245 0.000 2.612 432 F HA 0.656 5.185 4.527 0.003 0.000 0.332 432 F C 0.336 176.339 175.800 0.339 0.000 1.167 432 F CA -0.116 58.045 58.000 0.269 0.000 0.970 432 F CB 2.129 41.281 39.000 0.252 0.000 1.234 432 F HN 0.638 nan 8.300 nan 0.000 0.453 433 T N 0.696 115.448 114.554 0.330 0.000 2.645 433 T HA 0.342 4.694 4.350 0.003 0.000 0.300 433 T C -0.174 174.609 174.700 0.138 0.000 1.210 433 T CA -0.849 61.394 62.100 0.239 0.000 1.034 433 T CB 1.920 70.830 68.868 0.070 0.000 1.537 433 T HN 0.361 nan 8.240 nan 0.000 0.492 434 N N 0.099 118.843 118.700 0.073 0.000 2.036 434 N HA 0.074 4.817 4.740 0.003 0.000 0.228 434 N C -1.204 174.307 175.510 0.002 0.000 1.368 434 N CA 0.011 53.087 53.050 0.043 0.000 0.846 434 N CB 1.013 39.535 38.487 0.058 0.000 1.145 434 N HN 0.620 nan 8.380 nan 0.000 0.502 435 D N 1.863 122.245 120.400 -0.030 0.000 2.396 435 D HA 0.207 4.849 4.640 0.003 0.000 0.225 435 D C 1.654 177.909 176.300 -0.075 0.000 1.121 435 D CA -0.388 53.574 54.000 -0.064 0.000 0.853 435 D CB 0.970 41.703 40.800 -0.112 0.000 1.043 435 D HN 0.072 nan 8.370 nan 0.000 0.500 436 I N 2.994 123.533 120.570 -0.051 0.000 2.145 436 I HA -0.363 3.809 4.170 0.003 0.000 0.244 436 I C 2.053 178.132 176.117 -0.064 0.000 1.075 436 I CA 0.792 62.063 61.300 -0.049 0.000 1.332 436 I CB -0.389 37.589 38.000 -0.036 0.000 1.033 436 I HN 0.395 nan 8.210 nan 0.000 0.410 437 N N 1.546 120.204 118.700 -0.070 0.000 2.039 437 N HA -0.163 4.579 4.740 0.003 0.000 0.193 437 N C 1.837 177.282 175.510 -0.108 0.000 1.044 437 N CA 1.474 54.478 53.050 -0.076 0.000 0.847 437 N CB -0.311 38.135 38.487 -0.068 0.000 1.030 437 N HN 0.462 nan 8.380 nan 0.000 0.422 438 K N 1.101 121.399 120.400 -0.169 0.000 2.063 438 K HA -0.052 4.270 4.320 0.003 0.000 0.208 438 K C 2.202 178.683 176.600 -0.198 0.000 1.048 438 K CA 1.314 57.436 56.287 -0.275 0.000 0.928 438 K CB -0.175 31.987 32.500 -0.563 0.000 0.713 438 K HN 0.140 nan 8.250 nan 0.000 0.442 439 A N 1.561 124.294 122.820 -0.145 0.000 1.877 439 A HA -0.146 4.176 4.320 0.003 0.000 0.216 439 A C 2.181 179.728 177.584 -0.062 0.000 1.186 439 A CA 1.310 53.302 52.037 -0.075 0.000 0.620 439 A CB -0.686 18.280 19.000 -0.056 0.000 0.822 439 A HN 0.149 nan 8.150 nan 0.000 0.443 440 L N -1.231 119.952 121.223 -0.065 0.000 1.994 440 L HA -0.229 4.113 4.340 0.003 0.000 0.208 440 L C 2.964 179.801 176.870 -0.055 0.000 1.071 440 L CA 1.678 56.484 54.840 -0.056 0.000 0.745 440 L CB -0.528 41.500 42.059 -0.051 0.000 0.892 440 L HN 0.424 nan 8.230 nan 0.000 0.431 441 M N -0.866 118.699 119.600 -0.059 0.000 2.065 441 M HA -0.224 4.258 4.480 0.003 0.000 0.259 441 M C 2.354 178.628 176.300 -0.043 0.000 1.071 441 M CA 1.721 56.992 55.300 -0.050 0.000 1.109 441 M CB -0.486 32.083 32.600 -0.050 0.000 1.313 441 M HN 0.087 nan 8.290 nan 0.000 0.408 442 V N 0.633 120.527 119.914 -0.034 0.000 2.233 442 V HA -0.297 3.825 4.120 0.003 0.000 0.247 442 V C 2.498 178.570 176.094 -0.038 0.000 1.050 442 V CA 2.349 64.640 62.300 -0.015 0.000 1.010 442 V CB -1.245 30.607 31.823 0.049 0.000 0.637 442 V HN 0.654 nan 8.190 nan 0.000 0.444 443 S N 0.747 116.421 115.700 -0.043 0.000 2.440 443 S HA -0.230 4.242 4.470 0.003 0.000 0.240 443 S C 2.019 176.575 174.600 -0.072 0.000 1.014 443 S CA 1.839 60.002 58.200 -0.063 0.000 0.980 443 S CB -0.629 62.529 63.200 -0.071 0.000 0.775 443 S HN 0.778 nan 8.310 nan 0.000 0.499 444 S N 2.299 117.962 115.700 -0.063 0.000 2.371 444 S HA 0.339 4.811 4.470 0.003 0.000 0.219 444 S C 2.106 176.667 174.600 -0.065 0.000 1.040 444 S CA 0.443 58.604 58.200 -0.064 0.000 0.958 444 S CB -0.955 62.212 63.200 -0.055 0.000 0.860 444 S HN 0.726 nan 8.310 nan 0.000 0.487 445 A N 1.015 123.799 122.820 -0.059 0.000 2.121 445 A HA 0.303 4.625 4.320 0.003 0.000 0.218 445 A C 1.150 178.690 177.584 -0.074 0.000 1.154 445 A CA 0.672 52.672 52.037 -0.062 0.000 0.679 445 A CB -0.747 18.220 19.000 -0.054 0.000 0.795 445 A HN 0.524 nan 8.150 nan 0.000 0.458 446 M N 1.458 121.012 119.600 -0.076 0.000 2.350 446 M HA 0.096 4.578 4.480 0.003 0.000 0.338 446 M C 0.193 176.440 176.300 -0.087 0.000 1.559 446 M CA -0.271 54.978 55.300 -0.084 0.000 1.217 446 M CB 0.078 32.630 32.600 -0.079 0.000 1.808 446 M HN 0.325 nan 8.290 nan 0.000 0.458 447 Q N 3.105 122.852 119.800 -0.090 0.000 3.047 447 Q HA 0.392 4.734 4.340 0.003 0.000 0.273 447 Q C -0.389 175.557 176.000 -0.090 0.000 1.243 447 Q CA -0.216 55.529 55.803 -0.096 0.000 0.929 447 Q CB -0.411 28.265 28.738 -0.104 0.000 1.721 447 Q HN 0.705 nan 8.270 nan 0.000 0.471 448 A N -0.607 122.161 122.820 -0.087 0.000 2.374 448 A HA 0.637 4.960 4.320 0.003 0.000 0.317 448 A C 1.067 178.595 177.584 -0.092 0.000 1.094 448 A CA -0.502 51.491 52.037 -0.073 0.000 0.765 448 A CB 1.292 20.258 19.000 -0.056 0.000 1.268 448 A HN 0.479 nan 8.150 nan 0.000 0.438 449 G N -0.181 108.571 108.800 -0.079 0.000 2.509 449 G HA2 0.299 4.261 3.960 0.003 0.000 0.218 449 G HA3 0.299 4.261 3.960 0.003 0.000 0.218 449 G C 0.607 175.421 174.900 -0.143 0.000 1.124 449 G CA 1.520 46.559 45.100 -0.103 0.000 0.776 449 G HN 1.339 nan 8.290 nan 0.000 0.547 450 T N -1.066 113.400 114.554 -0.148 0.000 3.435 450 T HA 0.418 4.770 4.350 0.003 0.000 0.344 450 T C -1.678 172.830 174.700 -0.319 0.000 1.211 450 T CA -0.552 61.388 62.100 -0.267 0.000 1.104 450 T CB 1.466 70.168 68.868 -0.277 0.000 1.196 450 T HN 0.012 nan 8.240 nan 0.000 0.471 451 V N 5.342 125.011 119.914 -0.407 0.000 2.459 451 V HA 0.674 4.796 4.120 0.003 0.000 0.295 451 V C -0.806 175.028 176.094 -0.432 0.000 1.029 451 V CA -0.823 61.288 62.300 -0.315 0.000 0.874 451 V CB 1.498 33.216 31.823 -0.175 0.000 0.985 451 V HN 0.877 nan 8.190 nan 0.000 0.438 452 W N 4.740 125.992 121.300 -0.080 0.000 2.478 452 W HA 0.697 5.359 4.660 0.002 0.000 0.318 452 W C -0.452 175.963 176.519 -0.173 0.000 1.062 452 W CA -0.672 56.615 57.345 -0.097 0.000 1.210 452 W CB 1.116 30.537 29.460 -0.065 0.000 1.325 452 W HN 0.227 nan 8.180 nan 0.000 0.496 453 I N 3.632 124.222 120.570 0.032 0.000 2.382 453 I HA 0.136 4.308 4.170 0.003 0.000 0.285 453 I C 0.094 176.114 176.117 -0.161 0.000 1.007 453 I CA -0.923 60.323 61.300 -0.090 0.000 1.142 453 I CB 0.575 38.544 38.000 -0.051 0.000 1.289 453 I HN 0.729 nan 8.210 nan 0.000 0.453 454 N N 4.443 122.856 118.700 -0.479 0.000 2.746 454 N HA -0.152 4.590 4.740 0.003 0.000 0.250 454 N C -0.439 175.015 175.510 -0.092 0.000 1.055 454 N CA 0.461 53.254 53.050 -0.428 0.000 0.699 454 N CB -0.745 37.715 38.487 -0.046 0.000 0.919 454 N HN 0.886 nan 8.380 nan 0.000 0.548 455 C N -3.622 115.490 119.300 -0.312 0.000 2.948 455 C HA 0.600 5.062 4.460 0.003 0.000 0.328 455 C C -1.382 173.700 174.990 0.154 0.000 1.289 455 C CA -1.312 57.824 59.018 0.197 0.000 1.200 455 C CB 1.012 28.882 27.740 0.217 0.000 1.341 455 C HN 0.296 nan 8.230 nan 0.000 0.462 479 E N 0.091 120.285 120.200 -0.009 0.000 2.187 479 E HA -0.098 4.254 4.350 0.003 0.000 0.199 479 E C 1.815 178.126 176.600 -0.482 0.000 1.004 479 E CA 2.092 58.231 56.400 -0.433 0.000 0.813 479 E CB -0.394 28.983 29.700 -0.538 0.000 0.736 479 E HN 0.369 nan 8.360 nan 0.000 0.468 480 F N -0.996 118.940 119.950 -0.022 0.000 2.811 480 F HA 0.266 4.795 4.527 0.004 0.000 0.301 480 F C 2.076 177.877 175.800 0.001 0.000 1.151 480 F CA 0.521 58.508 58.000 -0.022 0.000 1.412 480 F CB -0.350 38.640 39.000 -0.017 0.000 1.113 480 F HN 0.111 nan 8.300 nan 0.000 0.579 481 G N 1.093 109.992 108.800 0.166 0.000 2.404 481 G HA2 -0.080 3.882 3.960 0.003 0.000 0.213 481 G HA3 -0.080 3.882 3.960 0.003 0.000 0.213 481 G C 0.984 176.000 174.900 0.194 0.000 1.189 481 G CA 0.306 45.538 45.100 0.219 0.000 0.796 481 G HN 0.263 nan 8.290 nan 0.000 0.532 482 L N -0.410 120.878 121.223 0.108 0.000 2.796 482 L HA 0.562 4.904 4.340 0.003 0.000 0.235 482 L C 1.273 178.157 176.870 0.023 0.000 1.344 482 L CA -0.364 54.533 54.840 0.095 0.000 1.245 482 L CB 0.058 42.126 42.059 0.016 0.000 1.556 482 L HN 0.024 nan 8.230 nan 0.000 0.423 483 R N 0.381 120.906 120.500 0.042 0.000 2.287 483 R HA 0.095 4.437 4.340 0.003 0.000 0.197 483 R C 1.121 177.412 176.300 -0.015 0.000 0.900 483 R CA 0.766 56.877 56.100 0.018 0.000 1.052 483 R CB 0.501 30.818 30.300 0.028 0.000 1.117 483 R HN 0.695 nan 8.270 nan 0.000 0.568 484 E N -0.615 119.546 120.200 -0.064 0.000 2.479 484 E HA -0.032 4.320 4.350 0.003 0.000 0.193 484 E C 0.141 176.502 176.600 -0.399 0.000 1.049 484 E CA 0.455 56.718 56.400 -0.229 0.000 0.870 484 E CB 0.174 29.687 29.700 -0.312 0.000 0.944 484 E HN 0.272 nan 8.360 nan 0.000 0.492 485 Y N 1.357 121.647 120.300 -0.016 0.000 2.681 485 Y HA 0.300 4.852 4.550 0.003 0.000 0.267 485 Y C -0.126 175.770 175.900 -0.006 0.000 1.166 485 Y CA -0.439 57.649 58.100 -0.020 0.000 1.209 485 Y CB 0.763 39.209 38.460 -0.024 0.000 1.161 485 Y HN 0.094 nan 8.280 nan 0.000 0.534 486 S N -0.734 115.007 115.700 0.069 0.000 2.550 486 S HA 0.677 5.149 4.470 0.003 0.000 0.270 486 S C -1.109 173.480 174.600 -0.017 0.000 1.145 486 S CA -1.139 57.097 58.200 0.060 0.000 0.852 486 S CB 2.420 65.686 63.200 0.110 0.000 1.119 486 S HN 0.266 nan 8.310 nan 0.000 0.465 487 E N 0.430 120.611 120.200 -0.032 0.000 2.288 487 E HA 0.701 5.053 4.350 0.003 0.000 0.268 487 E C -1.244 175.264 176.600 -0.153 0.000 0.885 487 E CA -1.249 55.098 56.400 -0.089 0.000 0.767 487 E CB 1.775 31.447 29.700 -0.047 0.000 1.220 487 E HN 0.374 nan 8.360 nan 0.000 0.427 488 V N 2.012 121.795 119.914 -0.219 0.000 2.583 488 V HA 0.210 4.332 4.120 0.003 0.000 0.287 488 V C -0.026 175.992 176.094 -0.126 0.000 1.051 488 V CA -0.279 61.869 62.300 -0.252 0.000 1.010 488 V CB 1.024 32.680 31.823 -0.279 0.000 0.988 488 V HN 0.689 nan 8.190 nan 0.000 0.478 489 K N 3.293 123.641 120.400 -0.086 0.000 2.575 489 K HA 0.384 4.706 4.320 0.003 0.000 0.236 489 K C -0.137 176.403 176.600 -0.100 0.000 0.976 489 K CA -0.360 55.888 56.287 -0.066 0.000 0.985 489 K CB 1.161 33.649 32.500 -0.019 0.000 1.198 489 K HN 0.863 nan 8.250 nan 0.000 0.464 490 T N 0.212 114.678 114.554 -0.148 0.000 2.889 490 T HA 0.464 4.816 4.350 0.003 0.000 0.291 490 T C -0.279 174.214 174.700 -0.345 0.000 0.995 490 T CA -0.469 61.487 62.100 -0.240 0.000 1.092 490 T CB 1.104 69.851 68.868 -0.203 0.000 0.954 490 T HN 0.141 nan 8.240 nan 0.000 0.506 491 V N 3.127 122.662 119.914 -0.632 0.000 2.709 491 V HA 0.761 4.883 4.120 0.003 0.000 0.308 491 V C 0.108 175.765 176.094 -0.728 0.000 1.062 491 V CA -0.783 61.105 62.300 -0.687 0.000 0.901 491 V CB 2.117 33.388 31.823 -0.921 0.000 1.003 491 V HN 1.234 nan 8.190 nan 0.000 0.425 492 T N 3.036 117.355 114.554 -0.391 0.000 2.921 492 T HA 0.745 5.097 4.350 0.003 0.000 0.297 492 T C -1.301 173.366 174.700 -0.055 0.000 1.013 492 T CA -0.398 61.546 62.100 -0.259 0.000 0.990 492 T CB 1.560 70.281 68.868 -0.246 0.000 1.023 492 T HN 0.405 nan 8.240 nan 0.000 0.447 493 V N 4.264 124.244 119.914 0.111 0.000 2.555 493 V HA 0.597 4.719 4.120 0.003 0.000 0.302 493 V C 0.074 176.357 176.094 0.315 0.000 1.038 493 V CA -1.104 61.332 62.300 0.227 0.000 0.887 493 V CB 1.805 33.822 31.823 0.324 0.000 0.991 493 V HN 0.963 nan 8.190 nan 0.000 0.434 494 K N 5.187 125.748 120.400 0.270 0.000 2.339 494 K HA 0.504 4.826 4.320 0.003 0.000 0.286 494 K C -0.589 176.086 176.600 0.126 0.000 1.050 494 K CA -0.002 56.426 56.287 0.235 0.000 0.956 494 K CB 0.289 32.901 32.500 0.186 0.000 0.990 494 K HN 0.688 nan 8.250 nan 0.000 0.475 495 I N 2.202 122.804 120.570 0.054 0.000 2.569 495 I HA 0.476 4.648 4.170 0.003 0.000 0.296 495 I C -1.961 174.142 176.117 -0.024 0.000 1.028 495 I CA -2.726 58.593 61.300 0.031 0.000 1.082 495 I CB 2.010 40.038 38.000 0.047 0.000 1.264 495 I HN 0.432 nan 8.210 nan 0.000 0.429 496 P HA -0.212 nan 4.420 nan 0.000 0.212 496 P C -0.272 177.002 177.300 -0.043 0.000 1.174 496 P CA 1.592 64.677 63.100 -0.027 0.000 0.934 496 P CB 0.123 31.812 31.700 -0.018 0.000 0.791 497 Q N -1.422 118.355 119.800 -0.039 0.000 2.289 497 Q HA 0.272 4.614 4.340 0.003 0.000 0.270 497 Q C -1.070 174.908 176.000 -0.037 0.000 1.038 497 Q CA -0.856 54.920 55.803 -0.044 0.000 0.812 497 Q CB 1.563 30.281 28.738 -0.034 0.000 1.300 497 Q HN -0.180 nan 8.270 nan 0.000 0.427 498 K N 2.951 123.328 120.400 -0.039 0.000 2.174 498 K HA 0.361 4.683 4.320 0.003 0.000 0.275 498 K C -1.088 175.505 176.600 -0.011 0.000 1.015 498 K CA -0.264 56.012 56.287 -0.017 0.000 0.933 498 K CB 0.713 33.208 32.500 -0.007 0.000 1.025 498 K HN 0.576 nan 8.250 nan 0.000 0.463 499 N N 1.950 120.647 118.700 -0.006 0.000 2.478 499 N HA 0.060 4.802 4.740 0.003 0.000 0.291 499 N C -0.924 174.587 175.510 0.002 0.000 1.090 499 N CA -0.369 52.678 53.050 -0.005 0.000 0.911 499 N CB 2.000 40.478 38.487 -0.014 0.000 1.546 499 N HN 0.802 nan 8.380 nan 0.000 0.500 500 S N 0.000 115.706 115.700 0.010 0.000 2.498 500 S HA 0.000 4.472 4.470 0.003 0.000 0.327 500 S CA 0.000 58.210 58.200 0.017 0.000 1.107 500 S CB 0.000 63.210 63.200 0.017 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517