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 2uy8_1_A DATA FIRST_RESID 6 DATA SEQUENCE DIPQPIRGDK GATVKIPRNI ERDRQNPDML VPPETDHGTV SNMKFSFSDT DATA SEQUENCE HNRLEKGGYA REVTVRELPI SENLASVNMR LKPGAIAELH WHKEAEWAYM DATA SEQUENCE IYGSARVTIV DEKGRSFIDD VGEGDLWYFP SGLPHSIQAL EEGAEFLLVF DATA SEQUENCE DDGSFSENST FQLTDWLAHT PKEVIAANFG VTKEEISNLP GKEKYIFENQ DATA SEQUENCE LPGSLKDDIV EGPNGEVPYP FTYRLLEQEP IESEGGKVYI ADSTNFKVSK DATA SEQUENCE TIASALVTVE PGAMRELHWH PNTHEWQYYI SGKARMTVFA SDGHARTFNY DATA SEQUENCE QAGDVGYVPF AMGHYVENIG DEPLVFLEIF KDDHYADVSL NQWLAMLPET DATA SEQUENCE FVQAHLDLGK DFTDVLSKEK HPVVKKK 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.295 176.300 -0.008 0.000 2.045 6 D CA 0.000 53.996 54.000 -0.006 0.000 0.868 6 D CB 0.000 40.796 40.800 -0.006 0.000 0.688 7 I N 2.712 123.276 120.570 -0.009 0.000 2.390 7 I HA 0.270 4.439 4.170 -0.001 0.000 0.283 7 I C -2.018 174.092 176.117 -0.013 0.000 1.016 7 I CA -1.438 59.855 61.300 -0.012 0.000 1.151 7 I CB 1.803 39.796 38.000 -0.011 0.000 1.293 7 I HN 0.063 nan 8.210 nan 0.000 0.458 8 P HA 0.182 nan 4.420 nan 0.000 0.272 8 P C -1.176 176.113 177.300 -0.019 0.000 1.223 8 P CA -0.321 62.768 63.100 -0.018 0.000 0.784 8 P CB 0.929 32.616 31.700 -0.022 0.000 0.923 9 Q N 1.572 121.360 119.800 -0.019 0.000 2.372 9 Q HA 0.321 4.660 4.340 -0.001 0.000 0.273 9 Q C -2.427 173.560 176.000 -0.022 0.000 1.078 9 Q CA -2.050 53.741 55.803 -0.019 0.000 0.806 9 Q CB 2.152 30.881 28.738 -0.016 0.000 1.332 9 Q HN 0.346 nan 8.270 nan 0.000 0.435 10 P HA 0.213 nan 4.420 nan 0.000 0.235 10 P C -0.510 176.777 177.300 -0.022 0.000 1.765 10 P CA 0.359 63.443 63.100 -0.026 0.000 1.034 10 P CB -0.281 31.401 31.700 -0.029 0.000 1.984 11 I N 1.588 122.146 120.570 -0.019 0.000 2.465 11 I HA 0.430 4.600 4.170 -0.001 0.000 0.291 11 I C 0.547 176.655 176.117 -0.016 0.000 1.014 11 I CA -0.817 60.474 61.300 -0.016 0.000 1.093 11 I CB 2.695 40.687 38.000 -0.014 0.000 1.267 11 I HN -0.032 nan 8.210 nan 0.000 0.431 12 R N 4.814 125.305 120.500 -0.014 0.000 2.468 12 R HA 0.533 4.872 4.340 -0.001 0.000 0.302 12 R C 0.443 176.736 176.300 -0.011 0.000 1.041 12 R CA 0.276 56.368 56.100 -0.013 0.000 0.899 12 R CB 1.219 31.511 30.300 -0.014 0.000 1.167 12 R HN 0.893 nan 8.270 nan 0.000 0.483 13 G N 4.110 112.904 108.800 -0.010 0.000 2.634 13 G HA2 -0.451 3.509 3.960 -0.001 0.000 0.318 13 G HA3 -0.451 3.509 3.960 -0.001 0.000 0.318 13 G C 0.202 175.096 174.900 -0.009 0.000 1.207 13 G CA 0.831 45.925 45.100 -0.009 0.000 0.987 13 G HN 0.800 nan 8.290 nan 0.000 0.547 14 D N 1.361 121.755 120.400 -0.009 0.000 2.358 14 D HA 0.270 4.909 4.640 -0.001 0.000 0.224 14 D C 0.735 177.030 176.300 -0.009 0.000 1.123 14 D CA 0.394 54.388 54.000 -0.009 0.000 0.833 14 D CB 0.105 40.900 40.800 -0.008 0.000 0.946 14 D HN 0.615 nan 8.370 nan 0.000 0.505 15 K N 0.208 120.602 120.400 -0.010 0.000 2.166 15 K HA 0.586 4.905 4.320 -0.001 0.000 0.245 15 K C 0.663 177.256 176.600 -0.013 0.000 0.967 15 K CA -0.488 55.792 56.287 -0.011 0.000 0.863 15 K CB 1.902 34.396 32.500 -0.010 0.000 1.107 15 K HN 0.159 nan 8.250 nan 0.000 0.436 16 G N 0.183 108.975 108.800 -0.013 0.000 2.681 16 G HA2 0.113 4.072 3.960 -0.001 0.000 0.220 16 G HA3 0.113 4.072 3.960 -0.001 0.000 0.220 16 G C -1.081 173.810 174.900 -0.014 0.000 1.353 16 G CA -0.453 44.638 45.100 -0.016 0.000 0.872 16 G HN 0.961 nan 8.290 nan 0.000 0.557 17 A N -2.104 120.707 122.820 -0.015 0.000 2.566 17 A HA 0.997 5.317 4.320 -0.001 0.000 0.290 17 A C 0.184 177.759 177.584 -0.014 0.000 1.071 17 A CA 0.837 52.866 52.037 -0.013 0.000 0.658 17 A CB 0.405 19.398 19.000 -0.012 0.000 1.285 17 A HN 2.628 nan 8.150 nan 0.000 0.427 18 T N -0.469 114.077 114.554 -0.013 0.000 2.918 18 T HA 0.505 4.855 4.350 -0.001 0.000 0.302 18 T C 0.310 175.002 174.700 -0.014 0.000 1.045 18 T CA -0.361 61.731 62.100 -0.013 0.000 1.114 18 T CB 0.545 69.406 68.868 -0.011 0.000 0.965 18 T HN 1.118 nan 8.240 nan 0.000 0.540 19 V N 3.706 123.611 119.914 -0.015 0.000 2.637 19 V HA 0.189 4.309 4.120 -0.001 0.000 0.296 19 V C 1.241 177.327 176.094 -0.013 0.000 1.046 19 V CA -0.146 62.145 62.300 -0.015 0.000 1.066 19 V CB 0.852 32.665 31.823 -0.017 0.000 0.968 19 V HN 0.927 nan 8.190 nan 0.000 0.483 20 K N 3.366 123.758 120.400 -0.012 0.000 2.450 20 K HA 0.336 4.656 4.320 -0.001 0.000 0.206 20 K C 0.288 176.882 176.600 -0.010 0.000 1.148 20 K CA 0.123 56.404 56.287 -0.010 0.000 1.014 20 K CB 0.809 33.303 32.500 -0.010 0.000 0.966 20 K HN 0.784 nan 8.250 nan 0.000 0.566 21 I N -0.214 120.349 120.570 -0.011 0.000 2.793 21 I HA 0.454 4.624 4.170 -0.001 0.000 0.313 21 I C -2.433 173.677 176.117 -0.011 0.000 0.998 21 I CA -2.580 58.714 61.300 -0.010 0.000 1.140 21 I CB 0.348 38.342 38.000 -0.010 0.000 1.327 21 I HN -0.274 nan 8.210 nan 0.000 0.491 22 P HA 0.181 nan 4.420 nan 0.000 0.267 22 P C -1.206 176.086 177.300 -0.013 0.000 1.200 22 P CA -0.037 63.056 63.100 -0.011 0.000 0.772 22 P CB 0.393 32.088 31.700 -0.009 0.000 0.855 23 R N 0.728 121.219 120.500 -0.014 0.000 2.781 23 R HA 0.483 4.823 4.340 -0.001 0.000 0.269 23 R C -1.076 175.212 176.300 -0.019 0.000 1.025 23 R CA -0.982 55.108 56.100 -0.018 0.000 0.914 23 R CB 0.822 31.111 30.300 -0.019 0.000 1.236 23 R HN 0.132 nan 8.270 nan 0.000 0.465 24 N N 1.536 120.222 118.700 -0.024 0.000 2.767 24 N HA 0.143 4.883 4.740 -0.001 0.000 0.238 24 N C 0.363 175.856 175.510 -0.028 0.000 1.083 24 N CA -0.276 52.758 53.050 -0.026 0.000 0.964 24 N CB 0.627 39.096 38.487 -0.031 0.000 1.252 24 N HN 0.725 nan 8.380 nan 0.000 0.512 25 I N 2.460 123.016 120.570 -0.024 0.000 2.208 25 I HA -0.252 3.918 4.170 -0.001 0.000 0.245 25 I C 1.481 177.583 176.117 -0.026 0.000 1.097 25 I CA 1.391 62.677 61.300 -0.024 0.000 1.363 25 I CB 0.373 38.362 38.000 -0.018 0.000 1.051 25 I HN 0.456 nan 8.210 nan 0.000 0.413 26 E N -0.173 120.011 120.200 -0.026 0.000 2.150 26 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 26 E C 2.270 178.848 176.600 -0.036 0.000 0.985 26 E CA 0.883 57.266 56.400 -0.027 0.000 0.814 26 E CB -0.115 29.571 29.700 -0.024 0.000 0.752 26 E HN 0.349 nan 8.360 nan 0.000 0.466 27 R N 0.483 120.958 120.500 -0.042 0.000 2.062 27 R HA -0.096 4.244 4.340 -0.001 0.000 0.229 27 R C 1.627 177.892 176.300 -0.057 0.000 1.128 27 R CA 1.427 57.494 56.100 -0.056 0.000 0.960 27 R CB -0.117 30.147 30.300 -0.061 0.000 0.855 27 R HN 0.145 nan 8.270 nan 0.000 0.432 28 D N 0.249 120.620 120.400 -0.048 0.000 2.133 28 D HA -0.174 4.465 4.640 -0.001 0.000 0.195 28 D C 1.888 178.160 176.300 -0.046 0.000 0.997 28 D CA 1.253 55.224 54.000 -0.048 0.000 0.840 28 D CB -0.156 40.621 40.800 -0.038 0.000 0.947 28 D HN 0.166 nan 8.370 nan 0.000 0.452 29 R N 0.210 120.687 120.500 -0.039 0.000 2.127 29 R HA -0.093 4.247 4.340 -0.001 0.000 0.238 29 R C 2.154 178.429 176.300 -0.042 0.000 1.134 29 R CA 0.947 57.026 56.100 -0.034 0.000 0.975 29 R CB -0.120 30.165 30.300 -0.026 0.000 0.865 29 R HN 0.413 nan 8.270 nan 0.000 0.447 30 Q N -0.221 119.547 119.800 -0.053 0.000 2.432 30 Q HA 0.025 4.365 4.340 -0.001 0.000 0.205 30 Q C 0.026 175.974 176.000 -0.086 0.000 0.945 30 Q CA 0.444 56.208 55.803 -0.065 0.000 0.924 30 Q CB 0.381 29.075 28.738 -0.073 0.000 1.016 30 Q HN 0.216 nan 8.270 nan 0.000 0.503 31 N N 0.684 119.334 118.700 -0.083 0.000 2.660 31 N HA 0.115 4.855 4.740 -0.001 0.000 0.316 31 N C -2.117 173.344 175.510 -0.082 0.000 1.774 31 N CA -1.277 51.712 53.050 -0.100 0.000 0.946 31 N CB 0.803 39.225 38.487 -0.108 0.000 1.322 31 N HN 0.091 nan 8.380 nan 0.000 0.492 32 P HA -0.120 nan 4.420 nan 0.000 0.215 32 P C 0.346 177.615 177.300 -0.052 0.000 1.153 32 P CA 1.339 64.411 63.100 -0.047 0.000 0.853 32 P CB 0.430 32.111 31.700 -0.031 0.000 0.788 33 D N -1.346 119.018 120.400 -0.061 0.000 2.336 33 D HA 0.096 4.736 4.640 -0.001 0.000 0.229 33 D C 1.724 177.957 176.300 -0.111 0.000 1.061 33 D CA 0.622 54.583 54.000 -0.065 0.000 0.875 33 D CB 0.126 40.899 40.800 -0.044 0.000 0.904 33 D HN 0.325 nan 8.370 nan 0.000 0.525 34 M N -0.530 118.997 119.600 -0.122 0.000 2.800 34 M HA 0.050 4.529 4.480 -0.001 0.000 0.257 34 M C 1.956 178.191 176.300 -0.108 0.000 1.309 34 M CA 0.135 55.346 55.300 -0.149 0.000 1.202 34 M CB 0.171 32.674 32.600 -0.160 0.000 1.273 34 M HN -0.079 nan 8.290 nan 0.000 0.528 35 L N 0.782 121.955 121.223 -0.083 0.000 2.083 35 L HA 0.015 4.355 4.340 -0.001 0.000 0.209 35 L C 0.602 177.439 176.870 -0.055 0.000 1.083 35 L CA 1.262 56.064 54.840 -0.063 0.000 0.752 35 L CB 0.277 42.305 42.059 -0.053 0.000 0.899 35 L HN 0.032 nan 8.230 nan 0.000 0.433 36 V N 1.024 120.906 119.914 -0.053 0.000 2.315 36 V HA 0.345 4.465 4.120 -0.001 0.000 0.265 36 V C -2.303 173.764 176.094 -0.044 0.000 1.019 36 V CA -1.440 60.834 62.300 -0.042 0.000 0.824 36 V CB 0.429 32.235 31.823 -0.030 0.000 1.072 36 V HN 0.111 nan 8.190 nan 0.000 0.448 37 P HA 0.248 nan 4.420 nan 0.000 0.272 37 P C -2.485 174.799 177.300 -0.027 0.000 1.223 37 P CA -1.098 61.968 63.100 -0.057 0.000 0.784 37 P CB -0.054 31.601 31.700 -0.074 0.000 0.923 38 P HA -0.065 nan 4.420 nan 0.000 0.267 38 P C 0.768 178.070 177.300 0.004 0.000 1.201 38 P CA 0.291 63.396 63.100 0.007 0.000 0.775 38 P CB 0.326 32.046 31.700 0.033 0.000 0.854 39 E N -0.122 120.079 120.200 0.003 0.000 2.418 39 E HA -0.116 4.234 4.350 -0.001 0.000 0.197 39 E C 0.849 177.458 176.600 0.014 0.000 1.026 39 E CA 1.055 57.457 56.400 0.004 0.000 0.862 39 E CB -0.856 28.843 29.700 -0.003 0.000 0.799 39 E HN 0.462 nan 8.360 nan 0.000 0.518 40 T N -1.455 113.109 114.554 0.017 0.000 3.085 40 T HA -0.040 4.309 4.350 -0.001 0.000 0.263 40 T C 0.276 175.015 174.700 0.065 0.000 1.127 40 T CA 0.138 62.255 62.100 0.027 0.000 1.103 40 T CB -0.238 68.639 68.868 0.014 0.000 0.921 40 T HN -0.046 nan 8.240 nan 0.000 0.510 41 D N 1.856 122.290 120.400 0.057 0.000 2.389 41 D HA 0.299 4.939 4.640 -0.001 0.000 0.247 41 D C -0.167 176.193 176.300 0.100 0.000 1.128 41 D CA 0.335 54.374 54.000 0.065 0.000 0.884 41 D CB 0.359 41.158 40.800 -0.002 0.000 1.194 41 D HN 0.383 nan 8.370 nan 0.000 0.441 42 H N 0.366 119.432 119.070 -0.007 0.000 3.046 42 H HA 0.477 5.033 4.556 -0.001 0.000 0.361 42 H C 0.169 175.436 175.328 -0.100 0.000 1.235 42 H CA 0.011 56.023 56.048 -0.059 0.000 1.146 42 H CB 1.720 31.434 29.762 -0.081 0.000 1.859 42 H HN 0.621 nan 8.280 nan 0.000 0.548 43 G N 1.527 109.709 108.800 -1.030 0.000 2.846 43 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.660 43 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.660 43 G C -0.571 174.275 174.900 -0.089 0.000 1.464 43 G CA -0.133 44.600 45.100 -0.611 0.000 0.891 43 G HN 0.666 nan 8.290 nan 0.000 0.552 44 T N 0.634 115.245 114.554 0.094 0.000 2.793 44 T HA 0.420 4.769 4.350 -0.001 0.000 0.289 44 T C 0.522 175.321 174.700 0.164 0.000 0.956 44 T CA 0.383 62.550 62.100 0.112 0.000 1.177 44 T CB 0.722 69.643 68.868 0.088 0.000 0.897 44 T HN 1.116 nan 8.240 nan 0.000 0.533 45 V N 3.419 123.407 119.914 0.124 0.000 2.638 45 V HA 0.337 4.456 4.120 -0.001 0.000 0.306 45 V C 0.395 176.586 176.094 0.162 0.000 1.052 45 V CA -1.049 61.342 62.300 0.151 0.000 0.885 45 V CB 2.266 34.211 31.823 0.204 0.000 0.999 45 V HN 0.895 nan 8.190 nan 0.000 0.424 46 S N 2.703 118.476 115.700 0.123 0.000 2.576 46 S HA 0.067 4.536 4.470 -0.001 0.000 0.272 46 S C 0.372 175.056 174.600 0.140 0.000 1.352 46 S CA -0.033 58.223 58.200 0.094 0.000 1.021 46 S CB 0.102 63.322 63.200 0.033 0.000 0.887 46 S HN 0.877 nan 8.310 nan 0.000 0.542 47 N N 1.493 120.253 118.700 0.100 0.000 2.411 47 N HA -0.018 4.722 4.740 -0.001 0.000 0.261 47 N C 0.152 175.562 175.510 -0.166 0.000 1.248 47 N CA 0.504 53.596 53.050 0.070 0.000 0.885 47 N CB 0.184 38.721 38.487 0.084 0.000 1.062 47 N HN 0.375 nan 8.380 nan 0.000 0.471 48 M N 2.351 121.575 119.600 -0.625 0.000 2.685 48 M HA 0.193 4.673 4.480 -0.001 0.000 0.355 48 M C -0.221 175.841 176.300 -0.396 0.000 1.197 48 M CA 0.061 55.025 55.300 -0.561 0.000 0.947 48 M CB -0.900 31.253 32.600 -0.745 0.000 1.346 48 M HN 0.511 nan 8.290 nan 0.000 0.516 49 K N 0.680 120.933 120.400 -0.246 0.000 2.553 49 K HA 0.550 4.870 4.320 -0.001 0.000 0.250 49 K C -2.310 174.338 176.600 0.080 0.000 0.953 49 K CA -0.291 55.958 56.287 -0.064 0.000 0.800 49 K CB 2.551 34.903 32.500 -0.247 0.000 1.243 49 K HN 0.062 nan 8.250 nan 0.000 0.435 50 F N 1.652 121.574 119.950 -0.046 0.000 2.615 50 F HA 0.260 4.788 4.527 0.002 0.000 0.312 50 F C -1.014 174.773 175.800 -0.020 0.000 1.119 50 F CA -0.448 57.523 58.000 -0.048 0.000 0.979 50 F CB 2.222 41.179 39.000 -0.071 0.000 1.266 50 F HN 0.419 nan 8.300 nan 0.000 0.444 51 S N 4.499 120.055 115.700 -0.240 0.000 2.499 51 S HA 0.307 4.777 4.470 -0.001 0.000 0.279 51 S C 0.911 175.609 174.600 0.164 0.000 1.219 51 S CA -0.355 57.841 58.200 -0.007 0.000 1.062 51 S CB 0.410 63.555 63.200 -0.092 0.000 0.978 51 S HN 0.595 nan 8.310 nan 0.000 0.489 52 F N 3.188 123.304 119.950 0.276 0.000 2.250 52 F HA -0.087 4.441 4.527 0.001 0.000 0.301 52 F C 2.730 178.633 175.800 0.170 0.000 1.077 52 F CA 1.288 59.453 58.000 0.273 0.000 1.348 52 F CB -0.328 38.833 39.000 0.268 0.000 1.040 52 F HN 0.550 nan 8.300 nan 0.000 0.509 53 S N -0.885 114.985 115.700 0.283 0.000 2.442 53 S HA -0.162 4.308 4.470 -0.001 0.000 0.236 53 S C 1.168 175.819 174.600 0.084 0.000 1.007 53 S CA 1.116 59.398 58.200 0.138 0.000 0.965 53 S CB -0.274 62.972 63.200 0.077 0.000 0.773 53 S HN 0.331 nan 8.310 nan 0.000 0.504 54 D N 1.730 122.166 120.400 0.060 0.000 2.395 54 D HA 0.095 4.734 4.640 -0.001 0.000 0.226 54 D C 0.406 176.831 176.300 0.209 0.000 1.146 54 D CA 0.200 54.218 54.000 0.030 0.000 0.830 54 D CB 0.283 40.949 40.800 -0.223 0.000 0.958 54 D HN 0.455 nan 8.370 nan 0.000 0.501 55 T N -2.653 112.049 114.554 0.246 0.000 2.908 55 T HA 0.272 4.622 4.350 -0.001 0.000 0.290 55 T C -0.183 174.644 174.700 0.213 0.000 1.034 55 T CA -0.909 61.351 62.100 0.267 0.000 1.010 55 T CB 2.193 71.240 68.868 0.299 0.000 1.068 55 T HN 0.076 nan 8.240 nan 0.000 0.481 56 H N 2.120 121.253 119.070 0.105 0.000 3.004 56 H HA 0.282 4.838 4.556 0.000 0.000 0.316 56 H C -0.061 175.311 175.328 0.075 0.000 1.014 56 H CA 0.111 56.200 56.048 0.069 0.000 1.454 56 H CB 0.324 30.117 29.762 0.051 0.000 1.472 56 H HN 0.545 nan 8.280 nan 0.000 0.571 57 N N 4.111 122.596 118.700 -0.358 0.000 2.426 57 N HA 0.095 4.834 4.740 -0.001 0.000 0.257 57 N C -0.885 174.436 175.510 -0.314 0.000 1.002 57 N CA -0.541 52.362 53.050 -0.244 0.000 0.942 57 N CB 0.546 38.862 38.487 -0.285 0.000 1.112 57 N HN 0.673 nan 8.380 nan 0.000 0.499 58 R N 4.936 125.430 120.500 -0.009 0.000 2.248 58 R HA 0.209 4.549 4.340 -0.001 0.000 0.337 58 R C -0.604 175.792 176.300 0.159 0.000 1.085 58 R CA -0.294 55.869 56.100 0.104 0.000 0.934 58 R CB -0.062 30.364 30.300 0.210 0.000 1.034 58 R HN 0.503 nan 8.270 nan 0.000 0.465 59 L N 4.530 125.812 121.223 0.099 0.000 2.276 59 L HA 0.402 4.742 4.340 -0.001 0.000 0.286 59 L C 0.159 177.125 176.870 0.161 0.000 1.061 59 L CA -0.551 54.381 54.840 0.153 0.000 0.807 59 L CB 1.242 43.353 42.059 0.087 0.000 1.177 59 L HN 0.486 nan 8.230 nan 0.000 0.429 60 E N 2.231 122.546 120.200 0.193 0.000 2.299 60 E HA 0.331 4.681 4.350 -0.001 0.000 0.265 60 E C -0.870 175.814 176.600 0.140 0.000 0.911 60 E CA -1.086 55.421 56.400 0.178 0.000 0.789 60 E CB 1.914 31.757 29.700 0.238 0.000 1.246 60 E HN 0.335 nan 8.360 nan 0.000 0.427 61 K N 0.433 120.909 120.400 0.127 0.000 2.319 61 K HA 0.184 4.503 4.320 -0.001 0.000 0.277 61 K C 0.719 177.378 176.600 0.099 0.000 1.111 61 K CA 1.013 57.364 56.287 0.107 0.000 1.093 61 K CB -0.338 32.229 32.500 0.110 0.000 0.910 61 K HN 0.828 nan 8.250 nan 0.000 0.452 62 G N 1.342 110.183 108.800 0.068 0.000 2.192 62 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.193 62 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.193 62 G C 0.318 175.218 174.900 0.000 0.000 0.999 62 G CA -0.491 44.626 45.100 0.029 0.000 0.659 62 G HN 1.059 nan 8.290 nan 0.000 0.503 63 G N -1.051 107.761 108.800 0.021 0.000 2.368 63 G HA2 0.715 4.675 3.960 -0.001 0.000 0.269 63 G HA3 0.715 4.675 3.960 -0.001 0.000 0.269 63 G C -0.949 173.975 174.900 0.040 0.000 1.291 63 G CA 0.355 45.414 45.100 -0.068 0.000 0.903 63 G HN 1.872 nan 8.290 nan 0.000 0.483 64 Y N -2.730 117.598 120.300 0.048 0.000 2.713 64 Y HA 0.904 5.454 4.550 -0.001 0.000 0.335 64 Y C -0.506 175.444 175.900 0.083 0.000 1.222 64 Y CA -1.467 56.680 58.100 0.078 0.000 1.061 64 Y CB 1.161 39.646 38.460 0.042 0.000 1.314 64 Y HN 2.044 nan 8.280 nan 0.000 0.453 65 A N 2.066 125.173 122.820 0.477 0.000 2.491 65 A HA 0.790 5.109 4.320 -0.001 0.000 0.293 65 A C -1.437 176.363 177.584 0.361 0.000 1.047 65 A CA -1.036 51.237 52.037 0.394 0.000 0.735 65 A CB 1.351 20.583 19.000 0.387 0.000 1.281 65 A HN 1.007 nan 8.150 nan 0.000 0.398 66 R N 1.733 122.439 120.500 0.345 0.000 2.750 66 R HA 0.775 5.115 4.340 -0.001 0.000 0.281 66 R C -0.848 175.750 176.300 0.498 0.000 0.972 66 R CA -0.716 55.602 56.100 0.362 0.000 0.912 66 R CB 1.919 32.411 30.300 0.319 0.000 1.187 66 R HN 0.782 nan 8.270 nan 0.000 0.464 67 E N 1.246 121.704 120.200 0.430 0.000 2.288 67 E HA 0.484 4.834 4.350 -0.001 0.000 0.268 67 E C -1.193 175.500 176.600 0.156 0.000 0.885 67 E CA -1.219 55.414 56.400 0.388 0.000 0.767 67 E CB 2.427 32.322 29.700 0.325 0.000 1.220 67 E HN 0.272 nan 8.360 nan 0.000 0.427 68 V N 2.232 122.149 119.914 0.005 0.000 2.378 68 V HA 0.442 4.562 4.120 -0.001 0.000 0.288 68 V C 0.075 176.143 176.094 -0.043 0.000 1.016 68 V CA -0.183 62.010 62.300 -0.178 0.000 0.840 68 V CB 0.913 32.516 31.823 -0.366 0.000 0.994 68 V HN 0.956 nan 8.190 nan 0.000 0.431 69 T N 0.932 115.423 114.554 -0.105 0.000 2.773 69 T HA 0.389 4.738 4.350 -0.001 0.000 0.278 69 T C 0.924 175.547 174.700 -0.129 0.000 1.011 69 T CA -0.125 61.942 62.100 -0.055 0.000 1.014 69 T CB 1.655 70.524 68.868 0.001 0.000 1.293 69 T HN 0.101 nan 8.240 nan 0.000 0.554 70 V N 0.874 120.730 119.914 -0.098 0.000 2.660 70 V HA -0.122 3.997 4.120 -0.001 0.000 0.257 70 V C 2.582 178.589 176.094 -0.146 0.000 1.088 70 V CA 1.923 64.146 62.300 -0.128 0.000 1.106 70 V CB -0.906 30.858 31.823 -0.097 0.000 0.686 70 V HN 0.803 nan 8.190 nan 0.000 0.481 71 R N -0.908 119.507 120.500 -0.142 0.000 2.200 71 R HA -0.025 4.315 4.340 -0.001 0.000 0.208 71 R C 2.013 178.194 176.300 -0.199 0.000 1.033 71 R CA 1.112 57.130 56.100 -0.137 0.000 1.000 71 R CB 0.048 30.284 30.300 -0.106 0.000 0.906 71 R HN 0.494 nan 8.270 nan 0.000 0.462 72 E N -0.108 119.889 120.200 -0.338 0.000 2.162 72 E HA 0.045 4.395 4.350 -0.001 0.000 0.193 72 E C -0.311 175.893 176.600 -0.659 0.000 0.953 72 E CA 0.487 56.473 56.400 -0.690 0.000 0.849 72 E CB 0.416 29.421 29.700 -1.158 0.000 0.810 72 E HN -0.072 nan 8.360 nan 0.000 0.470 73 L N 2.156 123.113 121.223 -0.444 0.000 2.433 73 L HA 0.354 4.693 4.340 -0.001 0.000 0.256 73 L C -2.347 174.388 176.870 -0.226 0.000 1.063 73 L CA -1.902 52.776 54.840 -0.270 0.000 0.922 73 L CB 1.466 43.394 42.059 -0.220 0.000 1.238 73 L HN -0.114 nan 8.230 nan 0.000 0.466 74 P HA -0.093 nan 4.420 nan 0.000 0.225 74 P C 1.683 178.861 177.300 -0.203 0.000 1.156 74 P CA 0.550 63.553 63.100 -0.161 0.000 0.787 74 P CB 0.515 32.151 31.700 -0.106 0.000 0.802 75 I N 0.420 120.842 120.570 -0.247 0.000 2.248 75 I HA -0.154 4.015 4.170 -0.001 0.000 0.248 75 I C 1.079 176.823 176.117 -0.622 0.000 1.107 75 I CA 1.303 62.398 61.300 -0.341 0.000 1.373 75 I CB -0.873 36.949 38.000 -0.297 0.000 1.055 75 I HN -0.154 nan 8.210 nan 0.000 0.418 76 S N 0.716 115.967 115.700 -0.748 0.000 3.483 76 S HA 0.130 4.600 4.470 -0.001 0.000 0.274 76 S C 1.106 175.527 174.600 -0.299 0.000 1.289 76 S CA -0.360 57.386 58.200 -0.757 0.000 0.938 76 S CB -0.433 62.481 63.200 -0.477 0.000 1.453 76 S HN 0.390 nan 8.310 nan 0.000 0.494 77 E N 2.180 122.240 120.200 -0.233 0.000 2.299 77 E HA -0.060 4.289 4.350 -0.001 0.000 0.193 77 E C 1.382 177.949 176.600 -0.054 0.000 0.998 77 E CA 0.385 56.714 56.400 -0.117 0.000 0.851 77 E CB 0.086 29.730 29.700 -0.093 0.000 0.795 77 E HN 0.763 nan 8.360 nan 0.000 0.492 78 N N 0.425 119.108 118.700 -0.029 0.000 2.282 78 N HA 0.029 4.769 4.740 -0.001 0.000 0.185 78 N C 0.111 175.618 175.510 -0.005 0.000 1.099 78 N CA 0.206 53.267 53.050 0.018 0.000 0.878 78 N CB 0.559 39.093 38.487 0.077 0.000 0.993 78 N HN 0.030 nan 8.380 nan 0.000 0.481 79 L N 0.170 121.366 121.223 -0.044 0.000 2.455 79 L HA 0.772 5.112 4.340 -0.001 0.000 0.264 79 L C -0.992 175.736 176.870 -0.237 0.000 0.968 79 L CA -0.860 53.869 54.840 -0.185 0.000 0.827 79 L CB 2.238 44.111 42.059 -0.311 0.000 1.317 79 L HN 0.090 nan 8.230 nan 0.000 0.407 80 A N 1.659 124.324 122.820 -0.258 0.000 2.486 80 A HA 0.943 5.263 4.320 -0.001 0.000 0.289 80 A C -1.121 176.310 177.584 -0.256 0.000 1.176 80 A CA -0.576 51.360 52.037 -0.169 0.000 0.757 80 A CB 2.255 21.263 19.000 0.015 0.000 1.337 80 A HN 0.495 nan 8.150 nan 0.000 0.423 81 S N -1.010 114.665 115.700 -0.041 0.000 2.546 81 S HA 0.663 5.132 4.470 -0.001 0.000 0.274 81 S C -1.727 173.061 174.600 0.314 0.000 1.121 81 S CA -0.372 57.862 58.200 0.056 0.000 0.887 81 S CB 1.585 64.902 63.200 0.195 0.000 1.094 81 S HN 1.138 nan 8.310 nan 0.000 0.474 82 V N 4.235 124.333 119.914 0.306 0.000 2.540 82 V HA 0.483 4.603 4.120 -0.001 0.000 0.302 82 V C 0.000 176.192 176.094 0.163 0.000 1.035 82 V CA -0.917 61.607 62.300 0.375 0.000 0.873 82 V CB 1.635 33.712 31.823 0.424 0.000 0.992 82 V HN 0.914 nan 8.190 nan 0.000 0.428 83 N N 5.122 123.833 118.700 0.018 0.000 2.437 83 N HA 0.505 5.245 4.740 -0.001 0.000 0.243 83 N C -0.664 174.762 175.510 -0.140 0.000 1.041 83 N CA -0.369 52.479 53.050 -0.336 0.000 0.940 83 N CB 0.617 38.629 38.487 -0.793 0.000 1.133 83 N HN 0.723 nan 8.380 nan 0.000 0.506 84 M N 3.402 122.775 119.600 -0.378 0.000 2.393 84 M HA 0.411 4.891 4.480 -0.001 0.000 0.316 84 M C -1.182 174.597 176.300 -0.868 0.000 1.087 84 M CA -0.856 54.144 55.300 -0.500 0.000 0.937 84 M CB 1.502 33.876 32.600 -0.377 0.000 1.668 84 M HN 0.440 nan 8.290 nan 0.000 0.438 85 R N 4.466 124.539 120.500 -0.711 0.000 2.561 85 R HA 0.773 5.113 4.340 -0.001 0.000 0.297 85 R C -2.387 173.676 176.300 -0.395 0.000 0.969 85 R CA -0.314 55.373 56.100 -0.687 0.000 0.879 85 R CB 1.385 30.916 30.300 -1.281 0.000 1.178 85 R HN 0.824 nan 8.270 nan 0.000 0.445 86 L N 4.007 125.143 121.223 -0.146 0.000 2.385 86 L HA 0.557 4.896 4.340 -0.001 0.000 0.273 86 L C -0.105 176.762 176.870 -0.006 0.000 0.990 86 L CA -1.065 53.752 54.840 -0.038 0.000 0.821 86 L CB 2.270 44.373 42.059 0.073 0.000 1.279 86 L HN 0.578 nan 8.230 nan 0.000 0.412 87 K N 2.306 122.696 120.400 -0.017 0.000 2.138 87 K HA 0.301 4.621 4.320 -0.001 0.000 0.251 87 K C -2.390 174.220 176.600 0.016 0.000 1.015 87 K CA -1.562 54.732 56.287 0.011 0.000 0.917 87 K CB 0.175 32.681 32.500 0.009 0.000 1.021 87 K HN 0.237 nan 8.250 nan 0.000 0.485 88 P HA -0.065 nan 4.420 nan 0.000 0.263 88 P C 0.447 177.740 177.300 -0.010 0.000 1.195 88 P CA 0.997 64.106 63.100 0.015 0.000 0.762 88 P CB 0.458 32.172 31.700 0.023 0.000 0.799 89 G N 2.348 111.131 108.800 -0.028 0.000 2.253 89 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.251 89 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.251 89 G C 0.484 175.323 174.900 -0.101 0.000 0.998 89 G CA 0.018 45.086 45.100 -0.052 0.000 0.621 89 G HN 0.849 nan 8.290 nan 0.000 0.524 90 A N 0.125 122.886 122.820 -0.098 0.000 2.462 90 A HA 0.641 4.960 4.320 -0.001 0.000 0.243 90 A C 0.339 177.776 177.584 -0.245 0.000 1.076 90 A CA 0.417 52.354 52.037 -0.166 0.000 0.773 90 A CB 0.208 19.153 19.000 -0.091 0.000 1.010 90 A HN 0.840 nan 8.150 nan 0.000 0.493 91 I N 1.482 121.757 120.570 -0.492 0.000 2.404 91 I HA 0.444 4.613 4.170 -0.001 0.000 0.293 91 I C 0.644 176.570 176.117 -0.318 0.000 0.992 91 I CA -0.319 60.677 61.300 -0.508 0.000 1.149 91 I CB 1.945 39.398 38.000 -0.911 0.000 1.315 91 I HN 0.683 nan 8.210 nan 0.000 0.446 92 A N 5.863 128.621 122.820 -0.104 0.000 2.376 92 A HA 0.188 4.507 4.320 -0.001 0.000 0.298 92 A C 0.320 177.960 177.584 0.093 0.000 1.271 92 A CA -0.338 51.685 52.037 -0.024 0.000 0.926 92 A CB -0.045 19.028 19.000 0.123 0.000 1.141 92 A HN 0.798 nan 8.150 nan 0.000 0.539 93 E N 3.364 123.655 120.200 0.151 0.000 2.529 93 E HA 0.043 4.393 4.350 -0.001 0.000 0.259 93 E C -0.508 176.291 176.600 0.332 0.000 0.966 93 E CA -0.242 56.364 56.400 0.343 0.000 0.937 93 E CB 0.225 30.147 29.700 0.370 0.000 0.923 93 E HN 0.638 nan 8.360 nan 0.000 0.468 94 L N 6.113 127.486 121.223 0.249 0.000 2.795 94 L HA -0.160 4.180 4.340 -0.001 0.000 0.290 94 L C 0.555 177.549 176.870 0.208 0.000 1.206 94 L CA 1.030 55.957 54.840 0.145 0.000 0.919 94 L CB -0.391 41.743 42.059 0.126 0.000 1.227 94 L HN 0.635 nan 8.230 nan 0.000 0.483 95 H N 2.190 121.221 119.070 -0.065 0.000 2.932 95 H HA 0.467 5.022 4.556 -0.001 0.000 0.307 95 H C -1.544 173.693 175.328 -0.151 0.000 1.391 95 H CA -1.128 54.876 56.048 -0.074 0.000 1.130 95 H CB 1.029 30.701 29.762 -0.151 0.000 1.836 95 H HN 0.579 nan 8.280 nan 0.000 0.522 96 W N 0.605 121.747 121.300 -0.264 0.000 3.062 96 W HA 0.683 5.342 4.660 -0.001 0.000 0.336 96 W C -1.764 174.711 176.519 -0.073 0.000 1.224 96 W CA -0.889 56.258 57.345 -0.329 0.000 1.159 96 W CB 1.266 30.609 29.460 -0.195 0.000 1.454 96 W HN 0.594 nan 8.180 nan 0.000 0.569 97 H N 1.209 120.579 119.070 0.500 0.000 2.679 97 H HA 0.331 4.887 4.556 -0.001 0.000 0.367 97 H C 0.513 176.094 175.328 0.423 0.000 1.162 97 H CA -0.815 55.492 56.048 0.432 0.000 1.181 97 H CB 2.473 32.561 29.762 0.542 0.000 1.693 97 H HN 0.456 nan 8.280 nan 0.000 0.538 98 K N 0.736 121.421 120.400 0.475 0.000 2.097 98 K HA -0.063 4.256 4.320 -0.001 0.000 0.205 98 K C -0.047 176.744 176.600 0.319 0.000 1.050 98 K CA 1.037 57.533 56.287 0.350 0.000 0.938 98 K CB 0.171 32.826 32.500 0.258 0.000 0.718 98 K HN 0.515 nan 8.250 nan 0.000 0.442 99 E N 0.554 120.975 120.200 0.368 0.000 2.349 99 E HA 0.267 4.617 4.350 -0.001 0.000 0.265 99 E C -0.659 176.153 176.600 0.353 0.000 1.064 99 E CA -0.286 56.313 56.400 0.333 0.000 0.886 99 E CB 0.887 30.804 29.700 0.362 0.000 1.036 99 E HN 0.180 nan 8.360 nan 0.000 0.413 100 A N 2.038 124.982 122.820 0.206 0.000 2.445 100 A HA 0.162 4.482 4.320 -0.001 0.000 0.242 100 A C -0.010 177.561 177.584 -0.022 0.000 1.075 100 A CA -0.096 51.959 52.037 0.029 0.000 0.777 100 A CB 0.191 19.124 19.000 -0.113 0.000 1.013 100 A HN 0.659 nan 8.150 nan 0.000 0.493 101 E N 1.195 121.290 120.200 -0.175 0.000 2.187 101 E HA 0.464 4.814 4.350 -0.001 0.000 0.268 101 E C -1.505 174.865 176.600 -0.384 0.000 0.896 101 E CA -0.529 55.672 56.400 -0.332 0.000 0.766 101 E CB 1.044 30.717 29.700 -0.044 0.000 1.142 101 E HN 0.677 nan 8.360 nan 0.000 0.408 102 W N 3.906 124.871 121.300 -0.558 0.000 2.844 102 W HA 0.706 5.366 4.660 0.000 0.000 0.340 102 W C -1.732 174.453 176.519 -0.557 0.000 1.093 102 W CA -0.414 56.701 57.345 -0.382 0.000 1.212 102 W CB 1.852 31.222 29.460 -0.150 0.000 1.422 102 W HN 0.605 nan 8.180 nan 0.000 0.515 103 A N 4.184 126.117 122.820 -1.477 0.000 2.486 103 A HA 0.594 4.913 4.320 -0.001 0.000 0.300 103 A C -2.647 173.982 177.584 -1.592 0.000 1.048 103 A CA -0.596 50.550 52.037 -1.485 0.000 0.696 103 A CB 1.236 18.881 19.000 -2.259 0.000 1.278 103 A HN 0.740 nan 8.150 nan 0.000 0.405 104 Y N 1.970 121.688 120.300 -0.969 0.000 2.328 104 Y HA 0.606 5.156 4.550 -0.001 0.000 0.336 104 Y C -0.142 175.557 175.900 -0.334 0.000 0.960 104 Y CA -1.034 56.712 58.100 -0.589 0.000 1.134 104 Y CB 1.784 40.151 38.460 -0.154 0.000 1.166 104 Y HN 0.666 nan 8.280 nan 0.000 0.464 105 M N 7.597 126.743 119.600 -0.758 0.000 2.264 105 M HA 0.274 4.754 4.480 -0.001 0.000 0.340 105 M C -0.517 175.528 176.300 -0.425 0.000 1.420 105 M CA 0.610 55.655 55.300 -0.425 0.000 1.254 105 M CB -0.289 32.092 32.600 -0.366 0.000 1.575 105 M HN 0.817 nan 8.290 nan 0.000 0.452 106 I N 4.023 124.575 120.570 -0.030 0.000 2.400 106 I HA -0.020 4.150 4.170 -0.001 0.000 0.248 106 I C -0.007 176.204 176.117 0.158 0.000 1.109 106 I CA 0.603 61.996 61.300 0.156 0.000 1.425 106 I CB -0.079 38.100 38.000 0.299 0.000 1.094 106 I HN 0.607 nan 8.210 nan 0.000 0.425 107 Y N 0.823 121.146 120.300 0.038 0.000 2.477 107 Y HA 0.605 5.154 4.550 -0.001 0.000 0.347 107 Y C 0.326 176.247 175.900 0.036 0.000 0.981 107 Y CA -0.358 57.761 58.100 0.033 0.000 1.033 107 Y CB 1.241 39.725 38.460 0.041 0.000 1.245 107 Y HN 0.237 nan 8.280 nan 0.000 0.455 108 G N 2.622 110.769 108.800 -1.087 0.000 2.499 108 G HA2 0.198 4.158 3.960 -0.001 0.000 0.232 108 G HA3 0.198 4.158 3.960 -0.001 0.000 0.232 108 G C -0.879 173.812 174.900 -0.348 0.000 1.251 108 G CA -0.226 44.345 45.100 -0.882 0.000 0.917 108 G HN 1.732 nan 8.290 nan 0.000 0.580 109 S N -1.271 114.312 115.700 -0.195 0.000 2.596 109 S HA 1.035 5.504 4.470 -0.001 0.000 0.270 109 S C -0.387 174.184 174.600 -0.048 0.000 1.155 109 S CA 0.471 58.606 58.200 -0.110 0.000 0.827 109 S CB 1.575 64.708 63.200 -0.112 0.000 1.130 109 S HN 2.712 nan 8.310 nan 0.000 0.467 110 A N 0.736 123.533 122.820 -0.038 0.000 2.606 110 A HA 0.850 5.170 4.320 -0.001 0.000 0.293 110 A C -1.076 176.463 177.584 -0.074 0.000 1.082 110 A CA -0.893 51.116 52.037 -0.046 0.000 0.685 110 A CB 1.560 20.532 19.000 -0.046 0.000 1.284 110 A HN 0.960 nan 8.150 nan 0.000 0.408 111 R N 0.448 120.890 120.500 -0.097 0.000 2.346 111 R HA 0.640 4.979 4.340 -0.001 0.000 0.311 111 R C -0.773 175.430 176.300 -0.162 0.000 0.983 111 R CA -0.339 55.694 56.100 -0.112 0.000 0.880 111 R CB 1.303 31.546 30.300 -0.096 0.000 1.100 111 R HN 1.087 nan 8.270 nan 0.000 0.453 112 V N 0.712 120.526 119.914 -0.166 0.000 2.715 112 V HA 0.732 4.851 4.120 -0.001 0.000 0.310 112 V C -0.307 175.704 176.094 -0.138 0.000 1.054 112 V CA -0.577 61.598 62.300 -0.209 0.000 0.928 112 V CB 1.719 33.386 31.823 -0.261 0.000 1.007 112 V HN 0.931 nan 8.190 nan 0.000 0.437 113 T N 2.082 116.526 114.554 -0.182 0.000 2.912 113 T HA 0.855 5.204 4.350 -0.001 0.000 0.288 113 T C -0.685 173.850 174.700 -0.275 0.000 1.030 113 T CA -0.580 61.429 62.100 -0.152 0.000 1.020 113 T CB 1.782 70.576 68.868 -0.124 0.000 1.056 113 T HN 1.613 nan 8.240 nan 0.000 0.480 114 I N 1.052 121.504 120.570 -0.196 0.000 2.753 114 I HA 0.614 4.784 4.170 -0.001 0.000 0.291 114 I C -2.036 173.988 176.117 -0.155 0.000 1.425 114 I CA -0.922 60.170 61.300 -0.347 0.000 1.039 114 I CB 1.830 39.397 38.000 -0.722 0.000 1.349 114 I HN 0.642 nan 8.210 nan 0.000 0.430 115 V N 6.296 126.115 119.914 -0.158 0.000 2.495 115 V HA 0.458 4.577 4.120 -0.001 0.000 0.298 115 V C -0.549 175.501 176.094 -0.074 0.000 1.031 115 V CA -0.403 61.860 62.300 -0.062 0.000 0.871 115 V CB 1.749 33.540 31.823 -0.052 0.000 0.988 115 V HN 0.855 nan 8.190 nan 0.000 0.432 116 D N 3.339 123.747 120.400 0.013 0.000 2.466 116 D HA 0.131 4.770 4.640 -0.001 0.000 0.262 116 D C 1.047 177.357 176.300 0.016 0.000 1.177 116 D CA -0.585 53.440 54.000 0.041 0.000 1.035 116 D CB 0.615 41.521 40.800 0.176 0.000 1.105 116 D HN 0.558 nan 8.370 nan 0.000 0.551 117 E N -0.090 120.124 120.200 0.024 0.000 2.515 117 E HA -0.173 4.177 4.350 -0.001 0.000 0.201 117 E C 0.204 176.807 176.600 0.006 0.000 1.071 117 E CA 0.731 57.130 56.400 -0.003 0.000 0.880 117 E CB -0.270 29.430 29.700 0.000 0.000 0.828 117 E HN 0.452 nan 8.360 nan 0.000 0.540 118 K N 0.055 120.470 120.400 0.025 0.000 2.399 118 K HA 0.203 4.522 4.320 -0.001 0.000 0.204 118 K C 0.778 177.390 176.600 0.019 0.000 1.023 118 K CA 0.315 56.615 56.287 0.022 0.000 1.127 118 K CB 0.952 33.470 32.500 0.030 0.000 0.856 118 K HN 0.251 nan 8.250 nan 0.000 0.514 119 G N 2.522 111.330 108.800 0.015 0.000 2.148 119 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.254 119 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.254 119 G C -0.143 174.776 174.900 0.032 0.000 0.981 119 G CA 0.048 45.157 45.100 0.014 0.000 0.670 119 G HN 0.306 nan 8.290 nan 0.000 0.528 120 R N 0.366 120.900 120.500 0.056 0.000 2.428 120 R HA 0.619 4.959 4.340 -0.001 0.000 0.294 120 R C 0.422 176.792 176.300 0.116 0.000 1.000 120 R CA 0.273 56.423 56.100 0.083 0.000 0.960 120 R CB 1.543 31.902 30.300 0.099 0.000 1.076 120 R HN 0.443 nan 8.270 nan 0.000 0.475 121 S N 2.377 118.152 115.700 0.124 0.000 2.532 121 S HA 0.602 5.072 4.470 -0.001 0.000 0.301 121 S C -1.041 173.708 174.600 0.249 0.000 1.083 121 S CA -0.730 57.553 58.200 0.137 0.000 1.025 121 S CB 1.250 64.482 63.200 0.054 0.000 1.056 121 S HN 0.534 nan 8.310 nan 0.000 0.494 122 F N 2.752 122.752 119.950 0.083 0.000 2.579 122 F HA 0.672 5.199 4.527 -0.000 0.000 0.325 122 F C -1.429 174.407 175.800 0.060 0.000 1.162 122 F CA -0.815 57.268 58.000 0.138 0.000 0.946 122 F CB 1.151 40.365 39.000 0.357 0.000 1.211 122 F HN 0.612 nan 8.300 nan 0.000 0.447 123 I N 5.620 125.910 120.570 -0.468 0.000 2.447 123 I HA 0.409 4.579 4.170 -0.001 0.000 0.287 123 I C -1.357 174.438 176.117 -0.537 0.000 1.023 123 I CA -0.490 60.593 61.300 -0.363 0.000 1.083 123 I CB 1.824 39.703 38.000 -0.201 0.000 1.245 123 I HN 0.483 nan 8.210 nan 0.000 0.434 124 D N 3.876 124.061 120.400 -0.358 0.000 2.602 124 D HA 0.387 5.026 4.640 -0.001 0.000 0.236 124 D C -1.600 174.645 176.300 -0.092 0.000 1.209 124 D CA -0.348 53.502 54.000 -0.250 0.000 0.831 124 D CB 2.499 43.193 40.800 -0.177 0.000 1.478 124 D HN 0.256 nan 8.370 nan 0.000 0.438 125 D N 0.180 120.540 120.400 -0.065 0.000 2.163 125 D HA 0.513 5.153 4.640 -0.001 0.000 0.248 125 D C -0.651 175.642 176.300 -0.012 0.000 1.035 125 D CA -0.243 53.729 54.000 -0.046 0.000 0.872 125 D CB 1.966 42.731 40.800 -0.059 0.000 1.183 125 D HN -0.038 nan 8.370 nan 0.000 0.445 126 V N 1.246 121.157 119.914 -0.006 0.000 2.588 126 V HA 0.779 4.899 4.120 -0.001 0.000 0.304 126 V C 0.574 176.634 176.094 -0.057 0.000 1.042 126 V CA -0.511 61.793 62.300 0.005 0.000 0.877 126 V CB 1.989 33.893 31.823 0.136 0.000 0.996 126 V HN 0.622 nan 8.190 nan 0.000 0.425 127 G N 2.618 111.352 108.800 -0.109 0.000 2.788 127 G HA2 0.610 4.569 3.960 -0.001 0.000 0.293 127 G HA3 0.610 4.569 3.960 -0.001 0.000 0.293 127 G C -0.759 174.016 174.900 -0.208 0.000 1.305 127 G CA -0.717 44.296 45.100 -0.145 0.000 1.005 127 G HN 0.666 nan 8.290 nan 0.000 0.496 128 E N -0.376 119.699 120.200 -0.208 0.000 2.480 128 E HA 0.336 4.686 4.350 -0.001 0.000 0.258 128 E C 1.137 177.563 176.600 -0.289 0.000 0.984 128 E CA 1.242 57.496 56.400 -0.243 0.000 0.930 128 E CB 0.548 30.159 29.700 -0.149 0.000 0.936 128 E HN 1.104 nan 8.360 nan 0.000 0.466 129 G N 3.191 111.685 108.800 -0.510 0.000 2.195 129 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.246 129 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.246 129 G C -0.090 174.553 174.900 -0.428 0.000 0.984 129 G CA -0.060 44.758 45.100 -0.469 0.000 0.633 129 G HN 0.559 nan 8.290 nan 0.000 0.525 130 D N 0.566 120.713 120.400 -0.422 0.000 2.313 130 D HA 0.623 5.263 4.640 -0.001 0.000 0.247 130 D C 1.032 177.076 176.300 -0.427 0.000 1.094 130 D CA 0.127 53.929 54.000 -0.331 0.000 0.925 130 D CB 1.134 41.800 40.800 -0.224 0.000 1.188 130 D HN 0.411 nan 8.370 nan 0.000 0.430 131 L N 0.130 121.141 121.223 -0.352 0.000 2.303 131 L HA 0.709 5.048 4.340 -0.001 0.000 0.266 131 L C -0.687 176.015 176.870 -0.281 0.000 1.011 131 L CA -1.196 53.334 54.840 -0.517 0.000 0.818 131 L CB 1.234 43.028 42.059 -0.441 0.000 1.326 131 L HN 0.485 nan 8.230 nan 0.000 0.435 132 W N 0.374 121.442 121.300 -0.386 0.000 2.962 132 W HA 0.700 5.359 4.660 -0.002 0.000 0.341 132 W C -1.924 174.457 176.519 -0.231 0.000 1.155 132 W CA -1.433 55.793 57.345 -0.197 0.000 1.165 132 W CB 0.615 29.814 29.460 -0.434 0.000 1.435 132 W HN 0.366 nan 8.180 nan 0.000 0.546 133 Y N 2.945 123.347 120.300 0.169 0.000 2.332 133 Y HA 0.590 5.139 4.550 -0.002 0.000 0.325 133 Y C -1.975 174.017 175.900 0.154 0.000 1.054 133 Y CA -2.066 56.035 58.100 0.001 0.000 1.119 133 Y CB 0.946 39.341 38.460 -0.108 0.000 1.168 133 Y HN 0.344 nan 8.280 nan 0.000 0.439 134 F N 7.729 127.583 119.950 -0.159 0.000 2.332 134 F HA 0.512 5.038 4.527 -0.002 0.000 0.368 134 F C -2.246 173.374 175.800 -0.300 0.000 1.110 134 F CA -3.540 54.315 58.000 -0.242 0.000 1.087 134 F CB 0.843 39.608 39.000 -0.393 0.000 1.235 134 F HN 0.377 nan 8.300 nan 0.000 0.470 135 P HA 0.016 nan 4.420 nan 0.000 0.268 135 P C -0.206 177.186 177.300 0.154 0.000 1.208 135 P CA -0.169 63.027 63.100 0.160 0.000 0.777 135 P CB 0.428 32.312 31.700 0.307 0.000 0.875 136 S N 1.289 117.091 115.700 0.170 0.000 2.563 136 S HA 0.290 4.760 4.470 -0.001 0.000 0.294 136 S C 1.381 176.103 174.600 0.205 0.000 1.279 136 S CA 0.337 58.672 58.200 0.225 0.000 1.069 136 S CB -0.757 62.566 63.200 0.205 0.000 0.828 136 S HN 1.012 nan 8.310 nan 0.000 0.497 137 G N 2.198 111.164 108.800 0.276 0.000 2.217 137 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.246 137 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.246 137 G C -0.045 174.870 174.900 0.025 0.000 0.990 137 G CA 0.057 45.273 45.100 0.192 0.000 0.627 137 G HN 0.787 nan 8.290 nan 0.000 0.522 138 L N 2.870 124.133 121.223 0.066 0.000 2.305 138 L HA 0.430 4.770 4.340 -0.001 0.000 0.281 138 L C -1.642 175.206 176.870 -0.037 0.000 1.085 138 L CA -2.017 52.793 54.840 -0.049 0.000 0.813 138 L CB 1.104 43.115 42.059 -0.080 0.000 1.157 138 L HN -0.001 nan 8.230 nan 0.000 0.436 139 P HA 0.241 nan 4.420 nan 0.000 0.278 139 P C -1.295 175.808 177.300 -0.329 0.000 1.238 139 P CA 0.002 62.978 63.100 -0.205 0.000 0.794 139 P CB 1.033 32.637 31.700 -0.161 0.000 0.955 140 H N -0.835 117.951 119.070 -0.473 0.000 2.960 140 H HA 0.698 5.253 4.556 -0.001 0.000 0.323 140 H C -1.307 173.731 175.328 -0.484 0.000 1.326 140 H CA -0.989 54.650 56.048 -0.682 0.000 1.124 140 H CB 1.196 30.148 29.762 -1.350 0.000 1.853 140 H HN 0.511 nan 8.280 nan 0.000 0.536 141 S N 0.350 115.905 115.700 -0.242 0.000 2.607 141 S HA 0.707 5.177 4.470 -0.001 0.000 0.273 141 S C -1.186 173.359 174.600 -0.090 0.000 1.148 141 S CA -0.901 57.250 58.200 -0.080 0.000 0.833 141 S CB 1.828 64.997 63.200 -0.052 0.000 1.130 141 S HN 0.567 nan 8.310 nan 0.000 0.470 142 I N 1.047 121.604 120.570 -0.022 0.000 2.498 142 I HA 0.540 4.709 4.170 -0.001 0.000 0.290 142 I C -0.650 175.422 176.117 -0.074 0.000 1.032 142 I CA -0.330 60.901 61.300 -0.115 0.000 1.073 142 I CB 2.149 40.101 38.000 -0.081 0.000 1.251 142 I HN 0.775 nan 8.210 nan 0.000 0.426 143 Q N 4.849 124.588 119.800 -0.102 0.000 2.304 143 Q HA 0.754 5.094 4.340 -0.001 0.000 0.270 143 Q C -1.130 174.835 176.000 -0.059 0.000 1.035 143 Q CA -0.772 54.977 55.803 -0.091 0.000 0.781 143 Q CB 2.204 30.877 28.738 -0.109 0.000 1.261 143 Q HN 0.819 nan 8.270 nan 0.000 0.444 144 A N 4.611 127.417 122.820 -0.023 0.000 2.440 144 A HA 0.374 4.694 4.320 -0.001 0.000 0.251 144 A C -0.105 177.466 177.584 -0.021 0.000 1.089 144 A CA -0.284 51.757 52.037 0.007 0.000 0.779 144 A CB 0.195 19.223 19.000 0.047 0.000 1.022 144 A HN 0.856 nan 8.150 nan 0.000 0.492 145 L N 1.170 122.377 121.223 -0.027 0.000 2.859 145 L HA 0.202 4.542 4.340 -0.001 0.000 0.181 145 L C 2.271 179.128 176.870 -0.022 0.000 1.196 145 L CA -0.461 54.359 54.840 -0.034 0.000 1.062 145 L CB -0.117 41.914 42.059 -0.047 0.000 1.961 145 L HN 0.945 nan 8.230 nan 0.000 0.507 146 E N 0.196 120.382 120.200 -0.024 0.000 2.219 146 E HA -0.251 4.099 4.350 -0.001 0.000 0.198 146 E C 1.157 177.762 176.600 0.008 0.000 0.998 146 E CA 1.596 57.990 56.400 -0.009 0.000 0.818 146 E CB -0.340 29.353 29.700 -0.012 0.000 0.741 146 E HN 0.518 nan 8.360 nan 0.000 0.477 147 E N 0.903 121.097 120.200 -0.009 0.000 2.479 147 E HA 0.179 4.529 4.350 -0.001 0.000 0.193 147 E C 1.017 177.685 176.600 0.115 0.000 1.049 147 E CA 0.627 57.041 56.400 0.024 0.000 0.870 147 E CB 0.379 30.018 29.700 -0.101 0.000 0.944 147 E HN 0.414 nan 8.360 nan 0.000 0.492 148 G N 1.275 110.122 108.800 0.079 0.000 2.642 148 G HA2 -0.021 3.938 3.960 -0.001 0.000 0.231 148 G HA3 -0.021 3.938 3.960 -0.001 0.000 0.231 148 G C -0.448 174.529 174.900 0.128 0.000 1.338 148 G CA -0.250 44.929 45.100 0.132 0.000 0.883 148 G HN 0.633 nan 8.290 nan 0.000 0.570 149 A N -0.709 122.251 122.820 0.233 0.000 2.565 149 A HA 0.768 5.088 4.320 -0.001 0.000 0.298 149 A C -0.721 177.053 177.584 0.316 0.000 1.062 149 A CA 0.899 53.102 52.037 0.277 0.000 0.723 149 A CB 1.603 20.780 19.000 0.296 0.000 1.282 149 A HN 1.634 nan 8.150 nan 0.000 0.400 150 E N 1.339 121.745 120.200 0.344 0.000 2.246 150 E HA 0.768 5.117 4.350 -0.001 0.000 0.266 150 E C -1.291 175.365 176.600 0.095 0.000 0.880 150 E CA -0.551 55.870 56.400 0.035 0.000 0.762 150 E CB 1.190 30.905 29.700 0.025 0.000 1.180 150 E HN 0.942 nan 8.360 nan 0.000 0.416 151 F N 2.066 122.013 119.950 -0.006 0.000 2.662 151 F HA 0.608 5.135 4.527 -0.001 0.000 0.312 151 F C -1.971 173.763 175.800 -0.109 0.000 1.113 151 F CA -1.409 56.545 58.000 -0.076 0.000 0.951 151 F CB 0.843 39.752 39.000 -0.153 0.000 1.344 151 F HN 0.315 nan 8.300 nan 0.000 0.462 152 L N 2.759 124.014 121.223 0.054 0.000 2.296 152 L HA 0.698 5.038 4.340 -0.001 0.000 0.286 152 L C -1.435 175.442 176.870 0.012 0.000 1.023 152 L CA -0.471 54.341 54.840 -0.046 0.000 0.812 152 L CB 1.392 43.415 42.059 -0.060 0.000 1.223 152 L HN 0.704 nan 8.230 nan 0.000 0.421 153 L N 5.564 126.785 121.223 -0.004 0.000 2.325 153 L HA 0.707 5.046 4.340 -0.001 0.000 0.278 153 L C -0.925 175.756 176.870 -0.316 0.000 1.023 153 L CA -0.982 53.749 54.840 -0.182 0.000 0.811 153 L CB 2.007 43.975 42.059 -0.151 0.000 1.249 153 L HN 0.310 nan 8.230 nan 0.000 0.431 154 V N 2.411 122.061 119.914 -0.441 0.000 2.531 154 V HA 0.465 4.585 4.120 -0.001 0.000 0.301 154 V C -0.716 174.938 176.094 -0.733 0.000 1.034 154 V CA -0.513 61.468 62.300 -0.531 0.000 0.865 154 V CB 1.698 33.261 31.823 -0.432 0.000 0.995 154 V HN 0.379 nan 8.190 nan 0.000 0.424 155 F N 2.562 122.274 119.950 -0.396 0.000 2.469 155 F HA 0.424 4.950 4.527 -0.001 0.000 0.332 155 F C 0.774 176.436 175.800 -0.231 0.000 1.103 155 F CA -0.951 56.849 58.000 -0.335 0.000 0.979 155 F CB 1.555 40.217 39.000 -0.563 0.000 1.137 155 F HN 0.665 nan 8.300 nan 0.000 0.463 156 D N 0.350 120.782 120.400 0.054 0.000 2.870 156 D HA 0.051 4.691 4.640 -0.001 0.000 0.241 156 D C -0.694 175.644 176.300 0.064 0.000 1.234 156 D CA 0.158 54.173 54.000 0.025 0.000 0.844 156 D CB -0.284 40.546 40.800 0.049 0.000 1.051 156 D HN 0.325 nan 8.370 nan 0.000 0.469 157 D N -1.247 119.198 120.400 0.075 0.000 2.966 157 D HA 0.304 4.944 4.640 -0.001 0.000 0.222 157 D C 1.168 177.502 176.300 0.057 0.000 1.292 157 D CA -0.722 53.322 54.000 0.072 0.000 0.907 157 D CB 1.756 42.621 40.800 0.108 0.000 1.621 157 D HN 0.027 nan 8.370 nan 0.000 0.557 158 G N 1.246 110.054 108.800 0.014 0.000 2.559 158 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.216 158 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.216 158 G C 1.043 175.954 174.900 0.018 0.000 1.126 158 G CA 0.351 45.445 45.100 -0.009 0.000 0.778 158 G HN 0.406 nan 8.290 nan 0.000 0.543 159 S N -0.169 115.552 115.700 0.036 0.000 2.575 159 S HA 0.213 4.683 4.470 -0.001 0.000 0.215 159 S C 0.521 175.137 174.600 0.027 0.000 0.966 159 S CA -0.932 57.275 58.200 0.012 0.000 0.911 159 S CB -0.190 63.005 63.200 -0.008 0.000 0.780 159 S HN 0.376 nan 8.310 nan 0.000 0.514 160 F N 3.828 123.721 119.950 -0.096 0.000 2.568 160 F HA 0.055 4.580 4.527 -0.003 0.000 0.394 160 F C 0.716 176.424 175.800 -0.153 0.000 1.032 160 F CA 0.585 58.490 58.000 -0.157 0.000 1.242 160 F CB 0.314 39.192 39.000 -0.203 0.000 0.966 160 F HN 0.187 nan 8.300 nan 0.000 0.560 161 S N 3.243 118.502 115.700 -0.736 0.000 2.757 161 S HA 0.259 4.729 4.470 -0.001 0.000 0.285 161 S C 0.496 174.680 174.600 -0.693 0.000 1.196 161 S CA -0.307 57.576 58.200 -0.529 0.000 0.856 161 S CB 0.999 64.019 63.200 -0.299 0.000 1.212 161 S HN 0.711 nan 8.310 nan 0.000 0.516 162 E N 1.055 120.979 120.200 -0.460 0.000 2.153 162 E HA -0.177 4.173 4.350 -0.001 0.000 0.194 162 E C 0.672 176.981 176.600 -0.486 0.000 0.988 162 E CA 1.318 57.452 56.400 -0.443 0.000 0.811 162 E CB -0.748 28.753 29.700 -0.331 0.000 0.746 162 E HN 0.555 nan 8.360 nan 0.000 0.466 163 N N 0.812 119.250 118.700 -0.437 0.000 2.521 163 N HA -0.002 4.737 4.740 -0.001 0.000 0.188 163 N C 1.045 176.269 175.510 -0.476 0.000 1.146 163 N CA 0.611 53.400 53.050 -0.434 0.000 0.893 163 N CB 0.266 38.577 38.487 -0.292 0.000 0.975 163 N HN 0.139 nan 8.380 nan 0.000 0.451 164 S N -0.611 114.779 115.700 -0.518 0.000 2.501 164 S HA 0.054 4.523 4.470 -0.001 0.000 0.220 164 S C 0.714 175.158 174.600 -0.260 0.000 0.997 164 S CA 0.344 58.325 58.200 -0.365 0.000 0.919 164 S CB 0.362 63.267 63.200 -0.492 0.000 0.778 164 S HN 0.196 nan 8.310 nan 0.000 0.523 165 T N 2.201 116.464 114.554 -0.485 0.000 2.807 165 T HA 0.587 4.936 4.350 -0.001 0.000 0.279 165 T C -1.009 173.232 174.700 -0.766 0.000 0.993 165 T CA -0.321 61.562 62.100 -0.362 0.000 0.970 165 T CB 0.804 69.593 68.868 -0.132 0.000 0.950 165 T HN 0.014 nan 8.240 nan 0.000 0.441 166 F N 2.001 121.524 119.950 -0.711 0.000 2.449 166 F HA 0.476 5.002 4.527 -0.002 0.000 0.342 166 F C 0.560 175.912 175.800 -0.746 0.000 1.127 166 F CA -0.885 56.493 58.000 -1.038 0.000 0.975 166 F CB 1.855 39.455 39.000 -2.334 0.000 1.146 166 F HN 0.353 nan 8.300 nan 0.000 0.444 167 Q N 2.477 122.141 119.800 -0.225 0.000 2.293 167 Q HA 0.319 4.659 4.340 -0.001 0.000 0.261 167 Q C 0.908 177.033 176.000 0.207 0.000 0.960 167 Q CA -0.640 55.177 55.803 0.023 0.000 0.882 167 Q CB 2.064 30.836 28.738 0.057 0.000 1.275 167 Q HN 0.784 nan 8.270 nan 0.000 0.445 168 L N 2.955 124.365 121.223 0.311 0.000 2.010 168 L HA -0.311 4.029 4.340 -0.001 0.000 0.219 168 L C 2.002 179.062 176.870 0.316 0.000 1.077 168 L CA 3.029 58.105 54.840 0.394 0.000 0.773 168 L CB -0.765 41.469 42.059 0.291 0.000 0.892 168 L HN 0.962 nan 8.230 nan 0.000 0.436 169 T N -4.817 109.856 114.554 0.198 0.000 2.985 169 T HA -0.106 4.243 4.350 -0.001 0.000 0.266 169 T C 1.704 176.513 174.700 0.180 0.000 1.076 169 T CA 0.853 63.035 62.100 0.135 0.000 1.135 169 T CB -0.518 68.376 68.868 0.043 0.000 0.890 169 T HN 0.419 nan 8.240 nan 0.000 0.480 170 D N 0.123 120.652 120.400 0.213 0.000 2.117 170 D HA -0.092 4.548 4.640 -0.001 0.000 0.198 170 D C 1.559 178.108 176.300 0.416 0.000 0.982 170 D CA 0.705 54.861 54.000 0.260 0.000 0.828 170 D CB -0.451 40.431 40.800 0.136 0.000 0.967 170 D HN 0.409 nan 8.370 nan 0.000 0.464 171 W N 1.345 122.756 121.300 0.184 0.000 2.315 171 W HA -0.169 4.492 4.660 0.002 0.000 0.323 171 W C 2.121 178.759 176.519 0.197 0.000 1.233 171 W CA 1.245 58.723 57.345 0.222 0.000 1.267 171 W CB -1.063 28.568 29.460 0.286 0.000 1.160 171 W HN 0.061 nan 8.180 nan 0.000 0.474 172 L N 0.513 121.900 121.223 0.274 0.000 2.131 172 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 172 L C 2.627 179.536 176.870 0.064 0.000 1.092 172 L CA 1.415 56.291 54.840 0.060 0.000 0.759 172 L CB -1.338 40.734 42.059 0.021 0.000 0.903 172 L HN 0.009 nan 8.230 nan 0.000 0.435 173 A N -0.828 122.047 122.820 0.091 0.000 2.070 173 A HA -0.193 4.127 4.320 -0.001 0.000 0.220 173 A C 1.307 178.744 177.584 -0.246 0.000 1.159 173 A CA 1.412 53.405 52.037 -0.073 0.000 0.656 173 A CB -0.664 18.277 19.000 -0.099 0.000 0.800 173 A HN 0.535 nan 8.150 nan 0.000 0.453 174 H N -1.138 118.002 119.070 0.118 0.000 2.475 174 H HA 0.281 4.838 4.556 0.001 0.000 0.276 174 H C -0.675 174.735 175.328 0.136 0.000 1.126 174 H CA 0.165 56.284 56.048 0.118 0.000 1.023 174 H CB 0.510 30.350 29.762 0.130 0.000 1.669 174 H HN 0.201 nan 8.280 nan 0.000 0.573 175 T N 1.961 116.607 114.554 0.154 0.000 2.797 175 T HA 0.273 4.623 4.350 -0.001 0.000 0.279 175 T C -2.482 172.239 174.700 0.035 0.000 0.991 175 T CA -1.693 60.464 62.100 0.096 0.000 0.979 175 T CB 1.773 70.641 68.868 0.000 0.000 0.943 175 T HN -0.027 nan 8.240 nan 0.000 0.444 176 P HA 0.066 nan 4.420 nan 0.000 0.262 176 P C 0.965 178.264 177.300 -0.002 0.000 1.182 176 P CA -0.199 62.909 63.100 0.013 0.000 0.761 176 P CB 0.603 32.312 31.700 0.016 0.000 0.795 177 K N 3.285 123.682 120.400 -0.006 0.000 2.074 177 K HA -0.206 4.113 4.320 -0.001 0.000 0.209 177 K C 1.571 178.170 176.600 -0.002 0.000 1.048 177 K CA 1.950 58.233 56.287 -0.007 0.000 0.926 177 K CB -0.266 32.227 32.500 -0.010 0.000 0.713 177 K HN 0.638 nan 8.250 nan 0.000 0.444 178 E N 0.490 120.688 120.200 -0.004 0.000 2.153 178 E HA -0.125 4.224 4.350 -0.001 0.000 0.194 178 E C 2.042 178.634 176.600 -0.013 0.000 0.988 178 E CA 1.117 57.514 56.400 -0.005 0.000 0.811 178 E CB -0.424 29.273 29.700 -0.005 0.000 0.746 178 E HN -0.054 nan 8.360 nan 0.000 0.466 179 V N 1.887 121.791 119.914 -0.018 0.000 2.270 179 V HA -0.235 3.885 4.120 -0.001 0.000 0.245 179 V C 2.381 178.438 176.094 -0.061 0.000 1.043 179 V CA 1.624 63.900 62.300 -0.040 0.000 1.014 179 V CB -0.491 31.311 31.823 -0.034 0.000 0.645 179 V HN 0.291 nan 8.190 nan 0.000 0.447 180 I N 0.725 121.274 120.570 -0.035 0.000 2.208 180 I HA -0.285 3.885 4.170 -0.001 0.000 0.245 180 I C 2.702 178.874 176.117 0.092 0.000 1.097 180 I CA 1.710 63.020 61.300 0.017 0.000 1.363 180 I CB -0.775 37.263 38.000 0.064 0.000 1.051 180 I HN 0.318 nan 8.210 nan 0.000 0.413 181 A N 0.998 123.851 122.820 0.056 0.000 1.877 181 A HA -0.121 4.198 4.320 -0.001 0.000 0.216 181 A C 2.606 180.211 177.584 0.035 0.000 1.186 181 A CA 1.843 53.919 52.037 0.066 0.000 0.620 181 A CB -0.859 18.159 19.000 0.030 0.000 0.822 181 A HN 0.432 nan 8.150 nan 0.000 0.443 182 A N 0.239 123.051 122.820 -0.015 0.000 1.940 182 A HA -0.258 4.061 4.320 -0.001 0.000 0.219 182 A C 1.939 179.463 177.584 -0.101 0.000 1.176 182 A CA 2.221 54.232 52.037 -0.044 0.000 0.631 182 A CB -0.852 18.119 19.000 -0.049 0.000 0.814 182 A HN 0.676 nan 8.150 nan 0.000 0.446 183 N N -1.767 116.816 118.700 -0.196 0.000 2.244 183 N HA -0.091 4.648 4.740 -0.001 0.000 0.183 183 N C 0.983 176.167 175.510 -0.544 0.000 1.016 183 N CA 1.625 54.420 53.050 -0.424 0.000 0.866 183 N CB -0.221 37.871 38.487 -0.658 0.000 0.980 183 N HN 0.394 nan 8.380 nan 0.000 0.430 184 F N -1.018 118.893 119.950 -0.066 0.000 2.731 184 F HA 0.405 4.932 4.527 -0.001 0.000 0.298 184 F C 1.588 177.362 175.800 -0.043 0.000 1.106 184 F CA 0.415 58.380 58.000 -0.058 0.000 1.329 184 F CB 0.236 39.197 39.000 -0.065 0.000 1.100 184 F HN 0.039 nan 8.300 nan 0.000 0.592 185 G N 1.660 110.515 108.800 0.093 0.000 2.248 185 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.263 185 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.263 185 G C -0.227 174.708 174.900 0.058 0.000 1.082 185 G CA 0.154 45.287 45.100 0.054 0.000 0.863 185 G HN 0.582 nan 8.290 nan 0.000 0.495 186 V N -3.254 116.700 119.914 0.067 0.000 3.141 186 V HA 0.975 5.095 4.120 -0.001 0.000 0.312 186 V C 0.668 176.777 176.094 0.025 0.000 1.157 186 V CA -0.114 62.210 62.300 0.040 0.000 1.041 186 V CB 1.569 33.414 31.823 0.036 0.000 1.071 186 V HN 1.251 nan 8.190 nan 0.000 0.441 187 T N -1.054 113.506 114.554 0.010 0.000 2.868 187 T HA 0.365 4.715 4.350 -0.001 0.000 0.292 187 T C 0.787 175.489 174.700 0.003 0.000 1.028 187 T CA 0.042 62.145 62.100 0.004 0.000 1.059 187 T CB 0.888 69.755 68.868 -0.002 0.000 0.991 187 T HN 0.806 nan 8.240 nan 0.000 0.531 188 K N 0.597 120.997 120.400 0.001 0.000 2.103 188 K HA -0.134 4.185 4.320 -0.001 0.000 0.207 188 K C 2.247 178.842 176.600 -0.010 0.000 1.048 188 K CA 1.657 57.942 56.287 -0.003 0.000 0.930 188 K CB -0.153 32.344 32.500 -0.005 0.000 0.716 188 K HN 0.638 nan 8.250 nan 0.000 0.444 189 E N 1.157 121.351 120.200 -0.010 0.000 2.085 189 E HA -0.183 4.166 4.350 -0.001 0.000 0.194 189 E C 1.566 178.155 176.600 -0.019 0.000 0.994 189 E CA 1.276 57.667 56.400 -0.014 0.000 0.801 189 E CB -0.096 29.597 29.700 -0.012 0.000 0.743 189 E HN 0.321 nan 8.360 nan 0.000 0.453 190 E N 0.080 120.268 120.200 -0.019 0.000 2.396 190 E HA -0.123 4.227 4.350 -0.001 0.000 0.200 190 E C 1.366 177.943 176.600 -0.040 0.000 1.023 190 E CA 0.919 57.303 56.400 -0.028 0.000 0.857 190 E CB -0.164 29.521 29.700 -0.026 0.000 0.775 190 E HN 0.501 nan 8.360 nan 0.000 0.525 191 I N -2.578 117.971 120.570 -0.034 0.000 3.833 191 I HA 0.198 4.368 4.170 -0.001 0.000 0.328 191 I C 1.259 177.353 176.117 -0.037 0.000 1.554 191 I CA -0.127 61.146 61.300 -0.044 0.000 1.116 191 I CB 0.556 38.530 38.000 -0.042 0.000 1.182 191 I HN -0.119 nan 8.210 nan 0.000 0.459 192 S N 0.245 115.926 115.700 -0.031 0.000 2.453 192 S HA -0.093 4.376 4.470 -0.001 0.000 0.231 192 S C 1.513 176.093 174.600 -0.033 0.000 1.005 192 S CA 1.143 59.326 58.200 -0.029 0.000 0.949 192 S CB -0.642 62.544 63.200 -0.023 0.000 0.774 192 S HN 0.567 nan 8.310 nan 0.000 0.510 193 N N 0.971 119.648 118.700 -0.038 0.000 2.521 193 N HA 0.204 4.944 4.740 -0.001 0.000 0.188 193 N C -0.078 175.403 175.510 -0.048 0.000 1.146 193 N CA -0.054 52.971 53.050 -0.040 0.000 0.893 193 N CB -0.639 37.824 38.487 -0.040 0.000 0.975 193 N HN 0.474 nan 8.380 nan 0.000 0.451 194 L N 1.579 122.772 121.223 -0.051 0.000 2.525 194 L HA 0.100 4.440 4.340 -0.001 0.000 0.278 194 L C -1.584 175.255 176.870 -0.051 0.000 1.218 194 L CA -1.350 53.457 54.840 -0.055 0.000 0.878 194 L CB -0.074 41.955 42.059 -0.050 0.000 1.127 194 L HN 0.074 nan 8.230 nan 0.000 0.492 195 P HA -0.032 nan 4.420 nan 0.000 0.266 195 P C 0.566 177.841 177.300 -0.043 0.000 1.193 195 P CA 0.155 63.224 63.100 -0.052 0.000 0.770 195 P CB 0.648 32.310 31.700 -0.063 0.000 0.836 196 G N 1.730 110.505 108.800 -0.041 0.000 2.603 196 G HA2 0.003 3.963 3.960 -0.001 0.000 0.214 196 G HA3 0.003 3.963 3.960 -0.001 0.000 0.214 196 G C 0.171 175.046 174.900 -0.041 0.000 1.140 196 G CA 0.131 45.200 45.100 -0.051 0.000 0.800 196 G HN 0.581 nan 8.290 nan 0.000 0.533 197 K N 0.546 120.942 120.400 -0.006 0.000 2.466 197 K HA 0.475 4.795 4.320 -0.001 0.000 0.260 197 K C -0.446 176.181 176.600 0.046 0.000 1.011 197 K CA -0.921 55.387 56.287 0.036 0.000 0.871 197 K CB 1.320 33.840 32.500 0.033 0.000 1.404 197 K HN 0.176 nan 8.250 nan 0.000 0.450 198 E N 0.915 121.159 120.200 0.073 0.000 2.442 198 E HA -0.036 4.313 4.350 -0.001 0.000 0.260 198 E C -0.106 176.533 176.600 0.063 0.000 1.148 198 E CA -0.184 56.263 56.400 0.077 0.000 0.976 198 E CB 0.687 30.441 29.700 0.089 0.000 0.967 198 E HN 0.560 nan 8.360 nan 0.000 0.454 199 K N 0.384 120.828 120.400 0.072 0.000 2.262 199 K HA -0.051 4.269 4.320 -0.001 0.000 0.200 199 K C 0.516 177.282 176.600 0.276 0.000 1.058 199 K CA 0.539 56.872 56.287 0.077 0.000 0.974 199 K CB -0.145 32.253 32.500 -0.169 0.000 0.910 199 K HN 0.654 nan 8.250 nan 0.000 0.484 200 Y N 0.222 120.609 120.300 0.146 0.000 2.736 200 Y HA -0.386 4.164 4.550 -0.000 0.000 0.479 200 Y C -0.298 175.732 175.900 0.216 0.000 1.110 200 Y CA 1.554 59.737 58.100 0.138 0.000 2.900 200 Y CB -0.820 37.687 38.460 0.079 0.000 1.048 200 Y HN -0.005 nan 8.280 nan 0.000 0.588 201 I N 0.908 121.572 120.570 0.157 0.000 2.582 201 I HA 0.490 4.660 4.170 -0.001 0.000 0.292 201 I C -1.208 175.077 176.117 0.280 0.000 1.066 201 I CA -0.612 60.732 61.300 0.073 0.000 1.053 201 I CB 1.920 39.920 38.000 -0.001 0.000 1.241 201 I HN 0.218 nan 8.210 nan 0.000 0.421 202 F N 2.766 122.731 119.950 0.026 0.000 2.619 202 F HA 0.577 5.103 4.527 -0.001 0.000 0.308 202 F C -0.549 175.269 175.800 0.031 0.000 1.097 202 F CA -1.088 56.935 58.000 0.038 0.000 0.953 202 F CB 0.848 39.873 39.000 0.042 0.000 1.287 202 F HN 0.226 nan 8.300 nan 0.000 0.446 203 E N 2.643 122.917 120.200 0.123 0.000 2.415 203 E HA 0.192 4.542 4.350 -0.001 0.000 0.262 203 E C -0.780 175.844 176.600 0.040 0.000 1.038 203 E CA 0.229 56.654 56.400 0.041 0.000 0.921 203 E CB 0.798 30.546 29.700 0.081 0.000 0.950 203 E HN 0.758 nan 8.360 nan 0.000 0.438 204 N N 1.061 119.746 118.700 -0.026 0.000 2.961 204 N HA -0.003 4.736 4.740 -0.001 0.000 0.245 204 N C -1.241 174.264 175.510 -0.008 0.000 1.404 204 N CA -0.520 52.530 53.050 0.000 0.000 0.880 204 N CB 1.889 40.336 38.487 -0.067 0.000 1.461 204 N HN 0.355 nan 8.380 nan 0.000 0.510 205 Q N 1.360 121.166 119.800 0.008 0.000 2.392 205 Q HA 0.222 4.562 4.340 -0.001 0.000 0.262 205 Q C -0.145 175.846 176.000 -0.016 0.000 1.003 205 Q CA -0.144 55.659 55.803 0.000 0.000 0.888 205 Q CB 0.632 29.374 28.738 0.008 0.000 1.260 205 Q HN 0.446 nan 8.270 nan 0.000 0.435 206 L N 5.909 127.122 121.223 -0.016 0.000 2.543 206 L HA 0.033 4.373 4.340 -0.001 0.000 0.285 206 L C -1.660 175.195 176.870 -0.025 0.000 1.236 206 L CA -1.075 53.751 54.840 -0.023 0.000 0.871 206 L CB -0.288 41.761 42.059 -0.018 0.000 1.121 206 L HN 0.644 nan 8.230 nan 0.000 0.501 207 P HA 0.086 nan 4.420 nan 0.000 0.273 207 P C 0.044 177.327 177.300 -0.030 0.000 1.250 207 P CA -0.361 62.719 63.100 -0.033 0.000 0.793 207 P CB 0.547 32.220 31.700 -0.044 0.000 1.011 208 G N 0.035 108.818 108.800 -0.029 0.000 2.546 208 G HA2 0.209 4.169 3.960 -0.001 0.000 0.239 208 G HA3 0.209 4.169 3.960 -0.001 0.000 0.239 208 G C -0.114 174.766 174.900 -0.034 0.000 1.476 208 G CA -0.409 44.674 45.100 -0.027 0.000 1.064 208 G HN 0.518 nan 8.290 nan 0.000 0.561 209 S N -0.791 114.889 115.700 -0.033 0.000 2.584 209 S HA 0.073 4.542 4.470 -0.001 0.000 0.270 209 S C 1.428 176.001 174.600 -0.046 0.000 1.346 209 S CA -0.574 57.603 58.200 -0.038 0.000 1.018 209 S CB 1.247 64.427 63.200 -0.033 0.000 0.899 209 S HN 0.508 nan 8.310 nan 0.000 0.542 210 L N 3.700 124.891 121.223 -0.053 0.000 2.072 210 L HA -0.046 4.294 4.340 -0.001 0.000 0.205 210 L C 2.246 179.076 176.870 -0.067 0.000 1.079 210 L CA 1.757 56.557 54.840 -0.068 0.000 0.752 210 L CB -0.829 41.184 42.059 -0.078 0.000 0.906 210 L HN 0.821 nan 8.230 nan 0.000 0.436 211 K N -1.446 118.921 120.400 -0.055 0.000 2.152 211 K HA -0.184 4.136 4.320 -0.001 0.000 0.206 211 K C 1.231 177.804 176.600 -0.044 0.000 1.048 211 K CA 1.751 58.008 56.287 -0.049 0.000 0.933 211 K CB -0.624 31.853 32.500 -0.039 0.000 0.721 211 K HN 0.310 nan 8.250 nan 0.000 0.447 212 D N 1.100 121.476 120.400 -0.040 0.000 2.347 212 D HA -0.075 4.565 4.640 -0.001 0.000 0.215 212 D C 0.800 177.078 176.300 -0.037 0.000 0.976 212 D CA 0.776 54.755 54.000 -0.034 0.000 0.884 212 D CB 0.048 40.831 40.800 -0.029 0.000 0.915 212 D HN 0.301 nan 8.370 nan 0.000 0.526 213 D N -0.143 120.229 120.400 -0.047 0.000 2.346 213 D HA 0.015 4.655 4.640 -0.001 0.000 0.206 213 D C 0.642 176.908 176.300 -0.057 0.000 1.001 213 D CA -0.082 53.887 54.000 -0.052 0.000 0.871 213 D CB 0.511 41.274 40.800 -0.062 0.000 0.943 213 D HN 0.081 nan 8.370 nan 0.000 0.518 214 I N 2.097 122.630 120.570 -0.061 0.000 2.662 214 I HA -0.042 4.128 4.170 -0.001 0.000 0.285 214 I C 0.306 176.398 176.117 -0.042 0.000 1.161 214 I CA -0.119 61.142 61.300 -0.064 0.000 1.415 214 I CB -0.012 37.949 38.000 -0.064 0.000 1.385 214 I HN -0.293 nan 8.210 nan 0.000 0.552 215 V N 7.238 127.130 119.914 -0.036 0.000 2.406 215 V HA 0.160 4.280 4.120 -0.001 0.000 0.272 215 V C 0.628 176.716 176.094 -0.010 0.000 1.043 215 V CA -0.851 61.437 62.300 -0.020 0.000 0.915 215 V CB 0.734 32.547 31.823 -0.017 0.000 0.988 215 V HN 0.573 nan 8.190 nan 0.000 0.466 216 E N 3.215 123.410 120.200 -0.007 0.000 2.354 216 E HA 0.566 4.915 4.350 -0.001 0.000 0.269 216 E C 0.357 176.959 176.600 0.004 0.000 1.036 216 E CA 0.145 56.544 56.400 -0.001 0.000 0.876 216 E CB 1.863 31.561 29.700 -0.004 0.000 1.009 216 E HN 0.868 nan 8.360 nan 0.000 0.416 217 G N 1.622 110.427 108.800 0.009 0.000 2.690 217 G HA2 0.400 4.359 3.960 -0.001 0.000 0.291 217 G HA3 0.400 4.359 3.960 -0.001 0.000 0.291 217 G C -1.964 172.942 174.900 0.010 0.000 1.403 217 G CA -0.977 44.129 45.100 0.010 0.000 0.864 217 G HN 0.296 nan 8.290 nan 0.000 0.480 218 P HA -0.011 nan 4.420 nan 0.000 0.234 218 P C 0.437 177.742 177.300 0.009 0.000 1.167 218 P CA 0.637 63.741 63.100 0.007 0.000 0.763 218 P CB 0.317 32.020 31.700 0.005 0.000 0.835 219 N N -0.492 118.217 118.700 0.013 0.000 2.236 219 N HA 0.319 5.059 4.740 -0.001 0.000 0.196 219 N C 0.645 176.166 175.510 0.019 0.000 1.114 219 N CA 0.691 53.750 53.050 0.016 0.000 0.859 219 N CB 0.598 39.097 38.487 0.020 0.000 0.982 219 N HN 0.168 nan 8.380 nan 0.000 0.493 220 G N -0.246 108.565 108.800 0.019 0.000 2.707 220 G HA2 0.056 4.015 3.960 -0.001 0.000 0.686 220 G HA3 0.056 4.015 3.960 -0.001 0.000 0.686 220 G C -0.431 174.490 174.900 0.035 0.000 1.315 220 G CA -0.470 44.641 45.100 0.019 0.000 0.832 220 G HN 0.331 nan 8.290 nan 0.000 0.573 221 E N -0.327 119.893 120.200 0.033 0.000 2.390 221 E HA 0.682 5.031 4.350 -0.001 0.000 0.261 221 E C 1.353 177.988 176.600 0.058 0.000 1.076 221 E CA 0.085 56.522 56.400 0.061 0.000 0.905 221 E CB 0.876 30.606 29.700 0.050 0.000 0.984 221 E HN 2.305 nan 8.360 nan 0.000 0.427 222 V N -0.207 119.775 119.914 0.114 0.000 2.763 222 V HA 0.246 4.366 4.120 -0.001 0.000 0.306 222 V C -1.203 174.847 176.094 -0.073 0.000 1.059 222 V CA -0.504 61.835 62.300 0.065 0.000 1.138 222 V CB 0.915 32.825 31.823 0.145 0.000 0.940 222 V HN 0.756 nan 8.190 nan 0.000 0.489 223 P HA 0.030 nan 4.420 nan 0.000 0.223 223 P C -0.313 176.551 177.300 -0.727 0.000 1.151 223 P CA 1.208 64.043 63.100 -0.441 0.000 0.787 223 P CB -0.065 31.353 31.700 -0.469 0.000 0.788 224 Y N -0.184 120.000 120.300 -0.194 0.000 2.433 224 Y HA 0.361 4.911 4.550 -0.000 0.000 0.337 224 Y C -2.249 173.351 175.900 -0.500 0.000 1.026 224 Y CA -2.790 55.159 58.100 -0.252 0.000 1.037 224 Y CB 1.801 40.122 38.460 -0.231 0.000 1.245 224 Y HN -0.198 nan 8.280 nan 0.000 0.443 225 P HA 0.073 nan 4.420 nan 0.000 0.270 225 P C -0.189 176.737 177.300 -0.623 0.000 1.223 225 P CA 0.034 62.857 63.100 -0.462 0.000 0.785 225 P CB 0.955 32.671 31.700 0.027 0.000 0.923 226 F N -0.598 118.943 119.950 -0.680 0.000 2.693 226 F HA 0.101 4.628 4.527 -0.001 0.000 0.303 226 F C 1.528 177.552 175.800 0.373 0.000 1.097 226 F CA 0.285 58.268 58.000 -0.028 0.000 1.330 226 F CB -0.235 38.774 39.000 0.015 0.000 1.067 226 F HN 0.241 nan 8.300 nan 0.000 0.565 227 T N -3.327 111.476 114.554 0.415 0.000 2.907 227 T HA 0.604 4.954 4.350 -0.001 0.000 0.290 227 T C -1.645 173.035 174.700 -0.032 0.000 1.066 227 T CA -0.851 61.428 62.100 0.298 0.000 1.012 227 T CB 2.580 71.656 68.868 0.348 0.000 1.184 227 T HN -0.036 nan 8.240 nan 0.000 0.522 228 Y N 0.101 120.114 120.300 -0.479 0.000 2.519 228 Y HA 0.506 5.056 4.550 0.000 0.000 0.336 228 Y C -1.158 174.525 175.900 -0.362 0.000 1.089 228 Y CA -1.209 56.515 58.100 -0.627 0.000 1.025 228 Y CB 1.769 39.349 38.460 -1.466 0.000 1.318 228 Y HN 0.635 nan 8.280 nan 0.000 0.452 229 R N 6.717 126.788 120.500 -0.715 0.000 2.565 229 R HA 0.176 4.516 4.340 -0.001 0.000 0.286 229 R C 0.576 176.560 176.300 -0.527 0.000 1.256 229 R CA -0.386 55.424 56.100 -0.483 0.000 1.238 229 R CB 0.500 30.593 30.300 -0.346 0.000 1.153 229 R HN 0.867 nan 8.270 nan 0.000 0.553 230 L N 2.873 123.922 121.223 -0.290 0.000 2.017 230 L HA -0.092 4.247 4.340 -0.001 0.000 0.208 230 L C 1.587 178.356 176.870 -0.169 0.000 1.073 230 L CA 1.867 56.655 54.840 -0.087 0.000 0.745 230 L CB -0.206 41.916 42.059 0.105 0.000 0.894 230 L HN 0.553 nan 8.230 nan 0.000 0.432 231 L N -0.848 120.209 121.223 -0.277 0.000 2.622 231 L HA -0.063 4.276 4.340 -0.001 0.000 0.233 231 L C 1.783 178.589 176.870 -0.106 0.000 1.156 231 L CA 0.428 55.053 54.840 -0.357 0.000 0.866 231 L CB -0.474 41.389 42.059 -0.327 0.000 0.980 231 L HN 0.363 nan 8.230 nan 0.000 0.448 232 E N -0.913 119.220 120.200 -0.111 0.000 2.474 232 E HA 0.002 4.352 4.350 -0.001 0.000 0.194 232 E C 0.400 176.993 176.600 -0.012 0.000 1.041 232 E CA -0.200 56.160 56.400 -0.066 0.000 0.874 232 E CB 0.432 30.059 29.700 -0.122 0.000 0.914 232 E HN 0.367 nan 8.360 nan 0.000 0.498 233 Q N 0.434 120.260 119.800 0.043 0.000 2.443 233 Q HA 0.171 4.510 4.340 -0.001 0.000 0.232 233 Q C 0.150 176.232 176.000 0.136 0.000 1.026 233 Q CA 0.211 56.074 55.803 0.099 0.000 0.924 233 Q CB 0.102 28.943 28.738 0.171 0.000 1.256 233 Q HN 0.235 nan 8.270 nan 0.000 0.519 234 E N 2.215 122.445 120.200 0.050 0.000 2.259 234 E HA 0.415 4.765 4.350 -0.001 0.000 0.281 234 E C -2.266 174.265 176.600 -0.115 0.000 1.037 234 E CA -1.734 54.660 56.400 -0.011 0.000 0.854 234 E CB -0.291 29.397 29.700 -0.019 0.000 1.051 234 E HN 0.302 nan 8.360 nan 0.000 0.409 235 P HA 0.424 nan 4.420 nan 0.000 0.282 235 P C -0.336 176.764 177.300 -0.334 0.000 1.259 235 P CA -0.778 61.962 63.100 -0.599 0.000 0.826 235 P CB 0.755 31.737 31.700 -1.196 0.000 1.064 236 I N 0.985 121.381 120.570 -0.291 0.000 2.576 236 I HA 0.046 4.215 4.170 -0.001 0.000 0.288 236 I C 1.044 177.059 176.117 -0.170 0.000 1.126 236 I CA 0.366 61.557 61.300 -0.182 0.000 1.362 236 I CB -0.463 37.444 38.000 -0.155 0.000 1.419 236 I HN 0.362 nan 8.210 nan 0.000 0.533 237 E N 6.116 126.245 120.200 -0.119 0.000 2.156 237 E HA 0.420 4.770 4.350 -0.001 0.000 0.279 237 E C -0.436 176.145 176.600 -0.033 0.000 0.965 237 E CA -0.415 55.933 56.400 -0.087 0.000 0.789 237 E CB 1.013 30.667 29.700 -0.076 0.000 1.098 237 E HN 0.717 nan 8.360 nan 0.000 0.397 238 S N 2.904 118.593 115.700 -0.018 0.000 2.998 238 S HA 0.321 4.790 4.470 -0.001 0.000 0.307 238 S C 0.922 175.511 174.600 -0.018 0.000 1.063 238 S CA -0.838 57.365 58.200 0.007 0.000 0.895 238 S CB 0.725 63.964 63.200 0.066 0.000 1.362 238 S HN 0.568 nan 8.310 nan 0.000 0.657 239 E N 0.782 120.958 120.200 -0.040 0.000 2.028 239 E HA -0.037 4.313 4.350 -0.001 0.000 0.191 239 E C 1.574 178.167 176.600 -0.012 0.000 0.988 239 E CA 1.378 57.750 56.400 -0.047 0.000 0.799 239 E CB -0.597 29.054 29.700 -0.082 0.000 0.755 239 E HN 0.814 nan 8.360 nan 0.000 0.447 240 G N -0.242 108.563 108.800 0.007 0.000 3.393 240 G HA2 0.389 4.348 3.960 -0.001 0.000 0.255 240 G HA3 0.389 4.348 3.960 -0.001 0.000 0.255 240 G C 0.224 175.148 174.900 0.040 0.000 1.097 240 G CA 0.450 45.568 45.100 0.030 0.000 0.780 240 G HN 0.405 nan 8.290 nan 0.000 0.540 241 G N -0.334 108.481 108.800 0.024 0.000 2.320 241 G HA2 0.484 4.444 3.960 -0.001 0.000 0.296 241 G HA3 0.484 4.444 3.960 -0.001 0.000 0.296 241 G C -1.719 173.172 174.900 -0.016 0.000 1.306 241 G CA -0.977 44.135 45.100 0.021 0.000 0.836 241 G HN 0.242 nan 8.290 nan 0.000 0.517 242 K N -1.258 119.125 120.400 -0.030 0.000 2.350 242 K HA 0.824 5.143 4.320 -0.001 0.000 0.241 242 K C -1.208 175.314 176.600 -0.130 0.000 0.994 242 K CA -0.934 55.282 56.287 -0.118 0.000 0.839 242 K CB 3.045 35.450 32.500 -0.159 0.000 1.244 242 K HN 0.385 nan 8.250 nan 0.000 0.443 243 V N 2.213 121.977 119.914 -0.251 0.000 2.612 243 V HA 0.308 4.427 4.120 -0.001 0.000 0.301 243 V C -1.790 174.130 176.094 -0.290 0.000 1.059 243 V CA -0.882 61.304 62.300 -0.191 0.000 0.886 243 V CB 1.040 32.752 31.823 -0.184 0.000 1.007 243 V HN 0.596 nan 8.190 nan 0.000 0.426 244 Y N 4.918 125.167 120.300 -0.086 0.000 2.342 244 Y HA 0.664 5.213 4.550 -0.001 0.000 0.338 244 Y C 0.165 176.033 175.900 -0.054 0.000 0.965 244 Y CA -0.811 57.266 58.100 -0.039 0.000 1.159 244 Y CB 1.313 39.789 38.460 0.026 0.000 1.157 244 Y HN 0.456 nan 8.280 nan 0.000 0.486 245 I N 3.024 123.615 120.570 0.037 0.000 2.428 245 I HA 0.699 4.868 4.170 -0.001 0.000 0.296 245 I C -0.181 175.994 176.117 0.097 0.000 0.985 245 I CA -0.685 60.592 61.300 -0.038 0.000 1.260 245 I CB 1.491 39.340 38.000 -0.251 0.000 1.389 245 I HN 0.730 nan 8.210 nan 0.000 0.484 246 A N 4.790 127.678 122.820 0.113 0.000 2.499 246 A HA 0.649 4.969 4.320 -0.001 0.000 0.280 246 A C -1.308 176.332 177.584 0.092 0.000 1.135 246 A CA -0.607 51.481 52.037 0.085 0.000 0.744 246 A CB 0.480 19.593 19.000 0.188 0.000 1.213 246 A HN 0.722 nan 8.150 nan 0.000 0.434 247 D N 0.561 120.970 120.400 0.015 0.000 2.758 247 D HA 0.432 5.072 4.640 -0.001 0.000 0.279 247 D C 1.091 177.330 176.300 -0.102 0.000 1.111 247 D CA 0.210 54.200 54.000 -0.017 0.000 1.109 247 D CB 0.276 41.093 40.800 0.027 0.000 1.428 247 D HN 0.356 nan 8.370 nan 0.000 0.586 248 S N -1.716 113.897 115.700 -0.145 0.000 2.547 248 S HA -0.140 4.329 4.470 -0.001 0.000 0.235 248 S C 1.597 176.105 174.600 -0.153 0.000 0.980 248 S CA 1.461 59.534 58.200 -0.211 0.000 0.941 248 S CB -1.315 61.755 63.200 -0.217 0.000 0.763 248 S HN 0.679 nan 8.310 nan 0.000 0.532 249 T N 0.311 114.814 114.554 -0.085 0.000 2.942 249 T HA -0.020 4.329 4.350 -0.001 0.000 0.265 249 T C 1.587 176.257 174.700 -0.051 0.000 1.062 249 T CA 1.091 63.153 62.100 -0.064 0.000 1.139 249 T CB -0.518 68.332 68.868 -0.029 0.000 0.883 249 T HN 0.647 nan 8.240 nan 0.000 0.468 250 N N 0.167 118.840 118.700 -0.046 0.000 2.545 250 N HA 0.124 4.864 4.740 -0.001 0.000 0.190 250 N C 0.176 175.661 175.510 -0.041 0.000 1.043 250 N CA -0.260 52.787 53.050 -0.005 0.000 0.879 250 N CB -0.579 37.949 38.487 0.068 0.000 1.210 250 N HN 0.366 nan 8.380 nan 0.000 0.437 251 F N 3.345 123.021 119.950 -0.456 0.000 2.425 251 F HA 0.452 4.979 4.527 0.000 0.000 0.354 251 F C 0.815 176.417 175.800 -0.332 0.000 1.162 251 F CA -1.591 56.087 58.000 -0.536 0.000 1.250 251 F CB 0.061 38.573 39.000 -0.814 0.000 1.579 251 F HN -0.174 nan 8.300 nan 0.000 0.589 252 K N 2.335 122.646 120.400 -0.150 0.000 2.127 252 K HA -0.164 4.155 4.320 -0.001 0.000 0.208 252 K C 2.119 178.415 176.600 -0.507 0.000 1.047 252 K CA 1.861 57.905 56.287 -0.404 0.000 0.927 252 K CB -1.055 31.028 32.500 -0.695 0.000 0.716 252 K HN 0.545 nan 8.250 nan 0.000 0.450 253 V N -1.504 118.084 119.914 -0.543 0.000 3.217 253 V HA 0.067 4.186 4.120 -0.001 0.000 0.264 253 V C 1.317 176.956 176.094 -0.758 0.000 1.135 253 V CA 0.995 63.023 62.300 -0.453 0.000 1.142 253 V CB -0.106 31.568 31.823 -0.248 0.000 0.754 253 V HN 0.086 nan 8.190 nan 0.000 0.484 254 S N 1.110 116.109 115.700 -1.168 0.000 3.983 254 S HA 0.226 4.695 4.470 -0.001 0.000 0.194 254 S C 1.346 175.398 174.600 -0.913 0.000 1.464 254 S CA -0.599 56.608 58.200 -1.655 0.000 1.021 254 S CB -0.484 61.945 63.200 -1.286 0.000 1.424 254 S HN 0.528 nan 8.310 nan 0.000 0.473 255 K N 0.934 120.939 120.400 -0.658 0.000 2.147 255 K HA -0.049 4.270 4.320 -0.001 0.000 0.205 255 K C 1.949 178.461 176.600 -0.147 0.000 1.049 255 K CA 1.584 57.708 56.287 -0.272 0.000 0.936 255 K CB -0.767 31.665 32.500 -0.114 0.000 0.722 255 K HN 0.720 nan 8.250 nan 0.000 0.446 256 T N -2.246 112.266 114.554 -0.070 0.000 3.044 256 T HA 0.265 4.615 4.350 -0.001 0.000 0.260 256 T C 0.466 175.188 174.700 0.037 0.000 1.019 256 T CA -0.343 61.794 62.100 0.063 0.000 0.921 256 T CB 0.267 69.239 68.868 0.174 0.000 1.053 256 T HN -0.164 nan 8.240 nan 0.000 0.533 257 I N 2.079 122.624 120.570 -0.041 0.000 2.500 257 I HA 0.649 4.818 4.170 -0.001 0.000 0.286 257 I C -0.338 175.678 176.117 -0.167 0.000 1.063 257 I CA -1.190 60.044 61.300 -0.110 0.000 1.062 257 I CB 1.106 39.055 38.000 -0.084 0.000 1.223 257 I HN 0.237 nan 8.210 nan 0.000 0.435 258 A N 5.208 127.963 122.820 -0.108 0.000 2.312 258 A HA 0.911 5.231 4.320 -0.001 0.000 0.328 258 A C -0.051 177.567 177.584 0.057 0.000 1.158 258 A CA -0.342 51.692 52.037 -0.005 0.000 0.821 258 A CB 1.252 20.261 19.000 0.014 0.000 1.170 258 A HN 0.800 nan 8.150 nan 0.000 0.490 259 S N -0.250 115.530 115.700 0.134 0.000 2.550 259 S HA 0.849 5.319 4.470 -0.001 0.000 0.270 259 S C -0.816 173.899 174.600 0.193 0.000 1.145 259 S CA -0.096 58.168 58.200 0.106 0.000 0.852 259 S CB 1.526 64.660 63.200 -0.110 0.000 1.119 259 S HN 2.297 nan 8.310 nan 0.000 0.465 260 A N 1.261 124.181 122.820 0.168 0.000 2.427 260 A HA 0.732 5.052 4.320 -0.001 0.000 0.298 260 A C -1.288 176.304 177.584 0.013 0.000 1.036 260 A CA -0.653 51.421 52.037 0.063 0.000 0.701 260 A CB 1.367 20.323 19.000 -0.072 0.000 1.250 260 A HN 1.296 nan 8.150 nan 0.000 0.412 261 L N 3.214 124.457 121.223 0.034 0.000 2.276 261 L HA 0.690 5.030 4.340 -0.001 0.000 0.286 261 L C -0.840 175.979 176.870 -0.085 0.000 1.061 261 L CA 0.051 54.853 54.840 -0.064 0.000 0.807 261 L CB 1.296 43.334 42.059 -0.034 0.000 1.177 261 L HN 0.439 nan 8.230 nan 0.000 0.429 262 V N 4.006 123.718 119.914 -0.337 0.000 2.540 262 V HA 0.557 4.677 4.120 -0.001 0.000 0.302 262 V C -0.152 175.766 176.094 -0.294 0.000 1.035 262 V CA -0.516 61.537 62.300 -0.412 0.000 0.873 262 V CB 1.969 33.269 31.823 -0.872 0.000 0.992 262 V HN 0.843 nan 8.190 nan 0.000 0.428 263 T N 4.092 118.590 114.554 -0.093 0.000 2.786 263 T HA 0.580 4.929 4.350 -0.001 0.000 0.283 263 T C -0.504 174.225 174.700 0.048 0.000 0.992 263 T CA -0.411 61.694 62.100 0.008 0.000 0.954 263 T CB 1.476 70.386 68.868 0.071 0.000 0.934 263 T HN 0.349 nan 8.240 nan 0.000 0.440 264 V N 3.840 123.821 119.914 0.110 0.000 2.350 264 V HA 0.334 4.454 4.120 -0.001 0.000 0.285 264 V C 0.333 176.501 176.094 0.125 0.000 1.014 264 V CA -1.049 61.337 62.300 0.143 0.000 0.831 264 V CB 1.365 33.330 31.823 0.236 0.000 1.000 264 V HN 0.762 nan 8.190 nan 0.000 0.433 265 E N 4.887 125.144 120.200 0.095 0.000 2.409 265 E HA 0.210 4.559 4.350 -0.001 0.000 0.257 265 E C -2.385 174.267 176.600 0.085 0.000 1.150 265 E CA -1.877 54.572 56.400 0.080 0.000 0.942 265 E CB 0.357 30.093 29.700 0.059 0.000 0.979 265 E HN 0.386 nan 8.360 nan 0.000 0.447 266 P HA 0.012 nan 4.420 nan 0.000 0.266 266 P C 0.517 177.855 177.300 0.063 0.000 1.195 266 P CA 0.997 64.139 63.100 0.070 0.000 0.768 266 P CB 0.362 32.096 31.700 0.057 0.000 0.838 267 G N 1.110 109.950 108.800 0.066 0.000 2.166 267 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.260 267 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.260 267 G C 0.375 175.316 174.900 0.067 0.000 0.986 267 G CA 0.227 45.363 45.100 0.060 0.000 0.683 267 G HN 0.861 nan 8.290 nan 0.000 0.527 268 A N -0.534 122.337 122.820 0.086 0.000 2.312 268 A HA 1.056 5.376 4.320 -0.001 0.000 0.310 268 A C 0.030 177.696 177.584 0.138 0.000 1.139 268 A CA -0.082 52.012 52.037 0.096 0.000 0.886 268 A CB 1.108 20.160 19.000 0.088 0.000 1.350 268 A HN 1.541 nan 8.150 nan 0.000 0.479 269 M N -0.884 118.810 119.600 0.155 0.000 2.470 269 M HA 0.676 5.156 4.480 -0.001 0.000 0.285 269 M C -0.620 175.824 176.300 0.239 0.000 1.213 269 M CA -0.836 54.599 55.300 0.225 0.000 0.901 269 M CB 1.834 34.579 32.600 0.242 0.000 1.718 269 M HN 0.538 nan 8.290 nan 0.000 0.469 270 R N 2.706 123.398 120.500 0.319 0.000 2.421 270 R HA 0.146 4.485 4.340 -0.001 0.000 0.305 270 R C -0.227 176.282 176.300 0.348 0.000 1.039 270 R CA 0.261 56.558 56.100 0.329 0.000 1.003 270 R CB 0.367 30.961 30.300 0.490 0.000 0.959 270 R HN 0.813 nan 8.270 nan 0.000 0.427 271 E N 3.938 124.294 120.200 0.260 0.000 2.425 271 E HA -0.037 4.313 4.350 -0.001 0.000 0.258 271 E C -0.583 176.249 176.600 0.386 0.000 1.151 271 E CA -0.498 56.057 56.400 0.259 0.000 0.958 271 E CB 0.468 30.271 29.700 0.172 0.000 0.968 271 E HN 0.495 nan 8.360 nan 0.000 0.451 272 L N 3.464 124.862 121.223 0.292 0.000 2.615 272 L HA 0.063 4.403 4.340 -0.001 0.000 0.271 272 L C 0.448 177.479 176.870 0.267 0.000 1.183 272 L CA 0.501 55.498 54.840 0.262 0.000 0.933 272 L CB -0.649 41.532 42.059 0.204 0.000 1.199 272 L HN 0.636 nan 8.230 nan 0.000 0.487 273 H N 2.041 121.124 119.070 0.022 0.000 2.918 273 H HA 0.484 5.040 4.556 -0.000 0.000 0.303 273 H C -1.509 173.792 175.328 -0.046 0.000 1.380 273 H CA -1.150 54.858 56.048 -0.067 0.000 1.134 273 H CB 1.088 30.712 29.762 -0.229 0.000 1.842 273 H HN 0.587 nan 8.280 nan 0.000 0.533 274 W N 0.019 121.145 121.300 -0.291 0.000 3.018 274 W HA 0.614 5.273 4.660 -0.001 0.000 0.352 274 W C -1.828 174.490 176.519 -0.336 0.000 1.230 274 W CA -0.975 56.194 57.345 -0.293 0.000 1.162 274 W CB 1.001 30.406 29.460 -0.091 0.000 1.483 274 W HN 0.516 nan 8.180 nan 0.000 0.584 275 H N 1.722 121.002 119.070 0.350 0.000 2.551 275 H HA 0.251 4.806 4.556 -0.001 0.000 0.321 275 H C -1.856 173.640 175.328 0.279 0.000 1.028 275 H CA -2.017 54.102 56.048 0.118 0.000 1.215 275 H CB 2.038 31.888 29.762 0.147 0.000 1.414 275 H HN 0.230 nan 8.280 nan 0.000 0.480 276 P HA -0.064 nan 4.420 nan 0.000 0.249 276 P C 0.720 178.301 177.300 0.469 0.000 1.229 276 P CA 0.481 63.803 63.100 0.369 0.000 0.788 276 P CB 0.599 32.384 31.700 0.141 0.000 1.072 277 N N -0.755 118.086 118.700 0.234 0.000 2.511 277 N HA 0.042 4.782 4.740 -0.001 0.000 0.190 277 N C 0.576 175.848 175.510 -0.396 0.000 1.037 277 N CA 0.776 53.789 53.050 -0.061 0.000 0.895 277 N CB -0.274 38.053 38.487 -0.267 0.000 1.149 277 N HN 0.016 nan 8.380 nan 0.000 0.437 278 T N -1.170 113.255 114.554 -0.215 0.000 2.661 278 T HA 0.187 4.537 4.350 -0.001 0.000 0.305 278 T C -1.735 172.975 174.700 0.016 0.000 1.441 278 T CA -0.685 61.184 62.100 -0.385 0.000 0.999 278 T CB 0.220 68.925 68.868 -0.271 0.000 1.650 278 T HN 0.186 nan 8.240 nan 0.000 0.489 279 H N 1.612 120.740 119.070 0.097 0.000 2.948 279 H HA 0.238 4.793 4.556 -0.002 0.000 0.351 279 H C 0.311 175.540 175.328 -0.165 0.000 1.079 279 H CA 0.319 56.371 56.048 0.008 0.000 1.407 279 H CB 0.512 30.262 29.762 -0.020 0.000 1.373 279 H HN 0.580 nan 8.280 nan 0.000 0.605 280 E N 2.408 122.441 120.200 -0.279 0.000 2.175 280 E HA 0.171 4.520 4.350 -0.001 0.000 0.278 280 E C -1.201 174.951 176.600 -0.747 0.000 0.969 280 E CA -0.785 55.204 56.400 -0.686 0.000 0.796 280 E CB 0.998 30.413 29.700 -0.475 0.000 1.104 280 E HN 0.511 nan 8.360 nan 0.000 0.395 281 W N 4.244 125.106 121.300 -0.729 0.000 2.529 281 W HA 0.286 4.944 4.660 -0.003 0.000 0.321 281 W C -1.025 175.310 176.519 -0.307 0.000 1.047 281 W CA -0.375 56.753 57.345 -0.362 0.000 1.216 281 W CB 1.321 30.697 29.460 -0.141 0.000 1.357 281 W HN 0.478 nan 8.180 nan 0.000 0.489 282 Q N 4.806 124.155 119.800 -0.751 0.000 2.342 282 Q HA 0.317 4.656 4.340 -0.001 0.000 0.267 282 Q C -1.806 173.686 176.000 -0.846 0.000 1.038 282 Q CA -1.168 54.244 55.803 -0.651 0.000 0.832 282 Q CB 3.061 31.410 28.738 -0.648 0.000 1.323 282 Q HN 0.499 nan 8.270 nan 0.000 0.448 283 Y N 1.308 121.294 120.300 -0.523 0.000 2.361 283 Y HA 0.348 4.898 4.550 -0.001 0.000 0.337 283 Y C -1.734 174.055 175.900 -0.186 0.000 0.965 283 Y CA -1.182 56.779 58.100 -0.232 0.000 1.091 283 Y CB 0.994 39.538 38.460 0.141 0.000 1.182 283 Y HN 0.541 nan 8.280 nan 0.000 0.450 284 Y N 7.519 127.331 120.300 -0.814 0.000 2.535 284 Y HA 0.258 4.807 4.550 -0.002 0.000 0.349 284 Y C 1.011 176.453 175.900 -0.763 0.000 0.992 284 Y CA -0.178 57.590 58.100 -0.554 0.000 1.248 284 Y CB 0.403 38.682 38.460 -0.301 0.000 1.124 284 Y HN 0.659 nan 8.280 nan 0.000 0.520 285 I N 0.945 121.348 120.570 -0.279 0.000 2.233 285 I HA -0.141 4.028 4.170 -0.001 0.000 0.243 285 I C 0.800 176.964 176.117 0.079 0.000 1.093 285 I CA 0.972 62.271 61.300 -0.001 0.000 1.380 285 I CB -0.044 38.055 38.000 0.164 0.000 1.067 285 I HN 0.546 nan 8.210 nan 0.000 0.413 286 S N -0.953 114.807 115.700 0.101 0.000 2.656 286 S HA 0.770 5.240 4.470 -0.001 0.000 0.273 286 S C -0.223 174.456 174.600 0.132 0.000 1.168 286 S CA -0.238 58.029 58.200 0.111 0.000 0.817 286 S CB 1.653 64.918 63.200 0.109 0.000 1.146 286 S HN 0.665 nan 8.310 nan 0.000 0.475 287 G N 0.492 109.357 108.800 0.110 0.000 2.698 287 G HA2 0.081 4.041 3.960 -0.001 0.000 0.225 287 G HA3 0.081 4.041 3.960 -0.001 0.000 0.225 287 G C -1.538 173.419 174.900 0.096 0.000 1.345 287 G CA -0.551 44.618 45.100 0.114 0.000 0.871 287 G HN 0.866 nan 8.290 nan 0.000 0.540 288 K N -0.304 120.149 120.400 0.089 0.000 2.482 288 K HA 0.735 5.055 4.320 -0.001 0.000 0.251 288 K C 0.015 176.652 176.600 0.061 0.000 0.936 288 K CA -0.102 56.212 56.287 0.043 0.000 0.791 288 K CB 2.205 34.719 32.500 0.025 0.000 1.213 288 K HN 1.305 nan 8.250 nan 0.000 0.428 289 A N 2.344 125.172 122.820 0.014 0.000 2.485 289 A HA 0.819 5.139 4.320 -0.001 0.000 0.292 289 A C -1.174 176.439 177.584 0.049 0.000 1.147 289 A CA -0.912 51.158 52.037 0.056 0.000 0.750 289 A CB 1.416 20.460 19.000 0.074 0.000 1.331 289 A HN 0.876 nan 8.150 nan 0.000 0.419 290 R N 0.062 120.617 120.500 0.092 0.000 2.795 290 R HA 0.851 5.191 4.340 -0.001 0.000 0.275 290 R C -1.147 175.168 176.300 0.023 0.000 0.981 290 R CA -0.648 55.505 56.100 0.089 0.000 0.917 290 R CB 1.716 32.066 30.300 0.084 0.000 1.202 290 R HN 0.820 nan 8.270 nan 0.000 0.469 291 M N 1.795 121.398 119.600 0.004 0.000 2.446 291 M HA 0.382 4.862 4.480 -0.001 0.000 0.294 291 M C -1.614 174.591 176.300 -0.158 0.000 1.158 291 M CA -0.365 54.753 55.300 -0.304 0.000 0.899 291 M CB 3.110 35.673 32.600 -0.061 0.000 1.687 291 M HN 0.810 nan 8.290 nan 0.000 0.455 292 T N 3.528 117.879 114.554 -0.337 0.000 2.758 292 T HA 0.492 4.842 4.350 -0.001 0.000 0.285 292 T C -0.678 174.149 174.700 0.211 0.000 0.981 292 T CA -0.483 61.698 62.100 0.134 0.000 0.965 292 T CB 1.210 70.307 68.868 0.382 0.000 0.927 292 T HN 0.475 nan 8.240 nan 0.000 0.448 293 V N 4.782 124.860 119.914 0.273 0.000 2.406 293 V HA 0.347 4.466 4.120 -0.001 0.000 0.272 293 V C -0.255 176.035 176.094 0.327 0.000 1.043 293 V CA -0.784 61.682 62.300 0.278 0.000 0.915 293 V CB 0.236 32.212 31.823 0.254 0.000 0.988 293 V HN 0.782 nan 8.190 nan 0.000 0.466 294 F N 5.310 125.359 119.950 0.166 0.000 2.391 294 F HA 0.645 5.174 4.527 0.003 0.000 0.359 294 F C 0.693 176.550 175.800 0.095 0.000 1.122 294 F CA -0.985 57.094 58.000 0.131 0.000 1.120 294 F CB 1.296 40.364 39.000 0.114 0.000 1.142 294 F HN 0.494 nan 8.300 nan 0.000 0.483 295 A N 4.543 127.078 122.820 -0.474 0.000 2.430 295 A HA 0.487 4.807 4.320 -0.001 0.000 0.243 295 A C 0.637 177.882 177.584 -0.564 0.000 1.254 295 A CA 0.530 52.353 52.037 -0.358 0.000 0.914 295 A CB -1.004 17.956 19.000 -0.068 0.000 0.998 295 A HN 1.720 nan 8.150 nan 0.000 0.515 296 S N -1.031 113.949 115.700 -1.200 0.000 3.656 296 S HA -0.106 4.363 4.470 -0.001 0.000 0.764 296 S C -0.199 174.297 174.600 -0.174 0.000 1.134 296 S CA 0.996 58.742 58.200 -0.758 0.000 1.138 296 S CB -1.592 61.369 63.200 -0.398 0.000 0.596 296 S HN 1.812 nan 8.310 nan 0.000 0.459 297 D N 0.637 121.060 120.400 0.039 0.000 2.686 297 D HA 0.012 4.652 4.640 -0.001 0.000 0.235 297 D C 1.399 177.892 176.300 0.321 0.000 1.160 297 D CA 3.346 57.453 54.000 0.178 0.000 0.645 297 D CB -1.470 39.409 40.800 0.131 0.000 1.039 297 D HN 2.444 nan 8.370 nan 0.000 0.423 298 G N -0.229 108.768 108.800 0.328 0.000 2.168 298 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.263 298 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.263 298 G C 0.086 175.121 174.900 0.225 0.000 0.977 298 G CA 0.535 45.781 45.100 0.243 0.000 0.659 298 G HN 0.710 nan 8.290 nan 0.000 0.533 299 H N 0.492 119.694 119.070 0.219 0.000 2.517 299 H HA 0.722 5.279 4.556 0.002 0.000 0.317 299 H C 0.448 175.899 175.328 0.206 0.000 1.080 299 H CA 0.589 56.739 56.048 0.170 0.000 1.301 299 H CB 1.700 31.489 29.762 0.045 0.000 1.425 299 H HN 0.825 nan 8.280 nan 0.000 0.471 300 A N 3.369 126.362 122.820 0.288 0.000 2.540 300 A HA 0.670 4.990 4.320 -0.001 0.000 0.297 300 A C -1.016 176.661 177.584 0.155 0.000 1.056 300 A CA -0.757 51.452 52.037 0.286 0.000 0.700 300 A CB 1.517 20.729 19.000 0.353 0.000 1.280 300 A HN 0.696 nan 8.150 nan 0.000 0.398 301 R N 0.920 121.501 120.500 0.134 0.000 2.604 301 R HA 0.666 5.006 4.340 -0.001 0.000 0.281 301 R C -1.310 174.919 176.300 -0.119 0.000 1.020 301 R CA -0.200 55.869 56.100 -0.052 0.000 0.899 301 R CB 2.042 32.285 30.300 -0.095 0.000 1.205 301 R HN 0.701 nan 8.270 nan 0.000 0.450 302 T N 4.249 118.634 114.554 -0.282 0.000 2.795 302 T HA 0.496 4.845 4.350 -0.001 0.000 0.282 302 T C -0.947 173.427 174.700 -0.543 0.000 0.980 302 T CA -0.071 61.906 62.100 -0.204 0.000 1.012 302 T CB 0.394 69.225 68.868 -0.062 0.000 0.936 302 T HN 0.256 nan 8.240 nan 0.000 0.457 303 F N 1.602 121.512 119.950 -0.067 0.000 2.561 303 F HA 0.472 4.999 4.527 -0.000 0.000 0.321 303 F C 0.646 176.209 175.800 -0.395 0.000 1.065 303 F CA -1.117 56.731 58.000 -0.253 0.000 0.934 303 F CB 1.599 40.411 39.000 -0.312 0.000 1.215 303 F HN 0.428 nan 8.300 nan 0.000 0.471 304 N N 0.626 119.096 118.700 -0.383 0.000 2.443 304 N HA 0.528 5.267 4.740 -0.001 0.000 0.295 304 N C -1.819 173.205 175.510 -0.809 0.000 1.076 304 N CA -0.543 52.255 53.050 -0.419 0.000 0.919 304 N CB 1.132 39.471 38.487 -0.247 0.000 1.176 304 N HN 0.406 nan 8.380 nan 0.000 0.487 305 Y N 0.230 120.319 120.300 -0.350 0.000 2.492 305 Y HA 0.363 4.912 4.550 -0.002 0.000 0.346 305 Y C -0.104 175.506 175.900 -0.484 0.000 0.997 305 Y CA -0.813 56.903 58.100 -0.640 0.000 1.025 305 Y CB 1.771 39.280 38.460 -1.585 0.000 1.263 305 Y HN 0.473 nan 8.280 nan 0.000 0.454 306 Q N 0.849 120.526 119.800 -0.205 0.000 2.831 306 Q HA 0.885 5.224 4.340 -0.001 0.000 0.322 306 Q C -1.229 174.766 176.000 -0.009 0.000 0.923 306 Q CA -1.686 54.072 55.803 -0.076 0.000 0.767 306 Q CB 1.583 30.297 28.738 -0.041 0.000 1.469 306 Q HN 0.735 nan 8.270 nan 0.000 0.496 307 A N -0.022 122.819 122.820 0.034 0.000 2.567 307 A HA 0.402 4.722 4.320 -0.001 0.000 0.240 307 A C 1.216 178.852 177.584 0.087 0.000 1.053 307 A CA 1.175 53.241 52.037 0.048 0.000 0.755 307 A CB -1.255 17.791 19.000 0.077 0.000 0.978 307 A HN 1.616 nan 8.150 nan 0.000 0.507 308 G N 2.038 110.904 108.800 0.109 0.000 2.194 308 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.236 308 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.236 308 G C -0.132 175.064 174.900 0.493 0.000 0.987 308 G CA 0.238 45.582 45.100 0.406 0.000 0.635 308 G HN 0.812 nan 8.290 nan 0.000 0.520 309 D N 0.579 121.117 120.400 0.230 0.000 2.255 309 D HA 0.515 5.155 4.640 -0.001 0.000 0.249 309 D C 0.494 176.983 176.300 0.315 0.000 1.078 309 D CA -0.124 54.023 54.000 0.245 0.000 0.896 309 D CB 2.037 42.922 40.800 0.141 0.000 1.194 309 D HN 0.121 nan 8.370 nan 0.000 0.429 310 V N 1.481 121.540 119.914 0.242 0.000 2.509 310 V HA 0.655 4.774 4.120 -0.001 0.000 0.284 310 V C 0.942 177.023 176.094 -0.023 0.000 1.047 310 V CA -0.313 61.973 62.300 -0.022 0.000 0.952 310 V CB 1.571 33.342 31.823 -0.087 0.000 0.988 310 V HN 0.632 nan 8.190 nan 0.000 0.469 311 G N 2.606 111.243 108.800 -0.273 0.000 2.714 311 G HA2 0.692 4.652 3.960 -0.001 0.000 0.292 311 G HA3 0.692 4.652 3.960 -0.001 0.000 0.292 311 G C -2.152 172.574 174.900 -0.290 0.000 1.308 311 G CA -0.541 44.439 45.100 -0.201 0.000 0.964 311 G HN 0.519 nan 8.290 nan 0.000 0.484 312 Y N -0.824 119.277 120.300 -0.332 0.000 2.480 312 Y HA 0.475 5.025 4.550 0.001 0.000 0.329 312 Y C -1.270 174.507 175.900 -0.204 0.000 1.127 312 Y CA -0.687 57.258 58.100 -0.259 0.000 1.037 312 Y CB 2.217 40.569 38.460 -0.180 0.000 1.320 312 Y HN 0.464 nan 8.280 nan 0.000 0.446 313 V N 7.687 127.304 119.914 -0.496 0.000 2.380 313 V HA 0.402 4.522 4.120 -0.001 0.000 0.286 313 V C -2.379 173.602 176.094 -0.189 0.000 1.015 313 V CA -2.059 60.060 62.300 -0.301 0.000 0.834 313 V CB 1.534 33.042 31.823 -0.525 0.000 1.009 313 V HN 0.579 nan 8.190 nan 0.000 0.428 314 P HA 0.012 nan 4.420 nan 0.000 0.267 314 P C -0.109 177.386 177.300 0.325 0.000 1.200 314 P CA -0.218 63.108 63.100 0.377 0.000 0.772 314 P CB 0.278 32.166 31.700 0.315 0.000 0.855 315 F N 3.511 123.576 119.950 0.191 0.000 2.500 315 F HA 0.028 4.553 4.527 -0.003 0.000 0.409 315 F C 1.292 177.121 175.800 0.048 0.000 0.982 315 F CA 0.881 58.849 58.000 -0.055 0.000 1.163 315 F CB -1.013 37.762 39.000 -0.374 0.000 0.942 315 F HN 0.682 nan 8.300 nan 0.000 0.535 316 A N 4.333 127.133 122.820 -0.033 0.000 3.601 316 A HA -0.314 4.006 4.320 -0.001 0.000 0.266 316 A C 0.947 178.446 177.584 -0.143 0.000 1.077 316 A CA 0.990 52.900 52.037 -0.211 0.000 1.228 316 A CB -2.401 16.094 19.000 -0.841 0.000 1.099 316 A HN 0.726 nan 8.150 nan 0.000 0.916 317 M N 0.537 120.121 119.600 -0.025 0.000 2.248 317 M HA 0.334 4.813 4.480 -0.001 0.000 0.345 317 M C 1.176 177.621 176.300 0.243 0.000 1.243 317 M CA 0.954 56.262 55.300 0.013 0.000 1.090 317 M CB 0.326 32.940 32.600 0.024 0.000 1.683 317 M HN 0.658 nan 8.290 nan 0.000 0.450 318 G N 3.143 112.109 108.800 0.276 0.000 2.406 318 G HA2 0.380 4.340 3.960 -0.001 0.000 0.251 318 G HA3 0.380 4.340 3.960 -0.001 0.000 0.251 318 G C -0.577 174.587 174.900 0.439 0.000 1.271 318 G CA -0.336 44.999 45.100 0.392 0.000 0.859 318 G HN 0.921 nan 8.290 nan 0.000 0.540 319 H N -0.169 118.964 119.070 0.105 0.000 2.981 319 H HA 0.565 5.121 4.556 0.000 0.000 0.327 319 H C -1.603 173.796 175.328 0.119 0.000 1.342 319 H CA -1.186 54.908 56.048 0.076 0.000 1.123 319 H CB 1.143 30.889 29.762 -0.027 0.000 1.851 319 H HN 0.739 nan 8.280 nan 0.000 0.531 320 Y N -1.021 119.371 120.300 0.153 0.000 2.615 320 Y HA 0.694 5.244 4.550 0.000 0.000 0.341 320 Y C -1.979 174.061 175.900 0.233 0.000 1.089 320 Y CA -1.202 57.001 58.100 0.171 0.000 1.049 320 Y CB 1.484 40.037 38.460 0.156 0.000 1.296 320 Y HN 0.436 nan 8.280 nan 0.000 0.470 321 V N 1.930 121.984 119.914 0.233 0.000 2.488 321 V HA 0.348 4.467 4.120 -0.001 0.000 0.293 321 V C -0.965 175.305 176.094 0.293 0.000 1.027 321 V CA -0.723 61.624 62.300 0.078 0.000 0.862 321 V CB 1.340 33.123 31.823 -0.065 0.000 1.008 321 V HN 0.849 nan 8.190 nan 0.000 0.428 322 E N 4.272 124.657 120.200 0.309 0.000 2.151 322 E HA 0.353 4.703 4.350 -0.001 0.000 0.275 322 E C -0.430 176.302 176.600 0.220 0.000 0.936 322 E CA -0.759 55.838 56.400 0.328 0.000 0.777 322 E CB 1.272 31.229 29.700 0.428 0.000 1.108 322 E HN 0.641 nan 8.360 nan 0.000 0.401 323 N N 4.470 123.288 118.700 0.197 0.000 2.475 323 N HA 0.052 4.791 4.740 -0.001 0.000 0.267 323 N C 0.184 175.769 175.510 0.125 0.000 1.169 323 N CA -0.039 53.107 53.050 0.159 0.000 0.947 323 N CB 0.544 39.123 38.487 0.153 0.000 1.061 323 N HN 0.664 nan 8.380 nan 0.000 0.466 324 I N 0.399 121.030 120.570 0.101 0.000 3.707 324 I HA 0.567 4.737 4.170 -0.001 0.000 0.330 324 I C 0.519 176.671 176.117 0.058 0.000 1.572 324 I CA -0.667 60.679 61.300 0.076 0.000 1.104 324 I CB 0.490 38.530 38.000 0.065 0.000 1.240 324 I HN 0.331 nan 8.210 nan 0.000 0.475 325 G N 0.010 108.849 108.800 0.064 0.000 2.766 325 G HA2 0.336 4.296 3.960 -0.001 0.000 0.288 325 G HA3 0.336 4.296 3.960 -0.001 0.000 0.288 325 G C -0.653 174.281 174.900 0.056 0.000 1.408 325 G CA -0.261 44.872 45.100 0.054 0.000 0.852 325 G HN 0.034 nan 8.290 nan 0.000 0.487 326 D N -0.376 120.054 120.400 0.049 0.000 2.277 326 D HA 0.053 4.693 4.640 -0.001 0.000 0.209 326 D C 0.524 176.855 176.300 0.052 0.000 0.970 326 D CA 0.511 54.539 54.000 0.046 0.000 0.874 326 D CB 0.446 41.269 40.800 0.037 0.000 0.982 326 D HN 0.290 nan 8.370 nan 0.000 0.504 327 E N 1.921 122.155 120.200 0.056 0.000 2.409 327 E HA 0.169 4.519 4.350 -0.001 0.000 0.257 327 E C -2.175 174.471 176.600 0.077 0.000 1.150 327 E CA -1.740 54.698 56.400 0.064 0.000 0.942 327 E CB -0.366 29.373 29.700 0.066 0.000 0.979 327 E HN 0.042 nan 8.360 nan 0.000 0.447 328 P HA 0.059 nan 4.420 nan 0.000 0.272 328 P C -0.476 176.896 177.300 0.119 0.000 1.223 328 P CA -0.361 62.796 63.100 0.095 0.000 0.784 328 P CB 0.373 32.125 31.700 0.087 0.000 0.923 329 L N 3.675 124.989 121.223 0.151 0.000 2.272 329 L HA 0.450 4.790 4.340 -0.001 0.000 0.289 329 L C -1.200 175.803 176.870 0.223 0.000 1.032 329 L CA -0.296 54.671 54.840 0.211 0.000 0.810 329 L CB 0.960 43.178 42.059 0.265 0.000 1.205 329 L HN 0.033 nan 8.230 nan 0.000 0.422 330 V N 6.882 126.919 119.914 0.204 0.000 2.407 330 V HA 0.574 4.693 4.120 -0.001 0.000 0.291 330 V C -0.411 175.759 176.094 0.128 0.000 1.018 330 V CA -0.433 61.936 62.300 0.114 0.000 0.842 330 V CB 0.850 32.719 31.823 0.078 0.000 0.996 330 V HN 0.699 nan 8.190 nan 0.000 0.426 331 F N 3.283 123.159 119.950 -0.123 0.000 2.613 331 F HA 0.862 5.388 4.527 -0.001 0.000 0.314 331 F C -1.308 174.360 175.800 -0.220 0.000 1.075 331 F CA -1.369 56.448 58.000 -0.305 0.000 0.945 331 F CB 1.589 40.171 39.000 -0.697 0.000 1.310 331 F HN 0.230 nan 8.300 nan 0.000 0.467 332 L N 2.057 123.228 121.223 -0.087 0.000 2.307 332 L HA 0.476 4.816 4.340 -0.001 0.000 0.282 332 L C -0.610 176.263 176.870 0.005 0.000 1.051 332 L CA -0.594 54.209 54.840 -0.062 0.000 0.804 332 L CB 1.718 43.825 42.059 0.080 0.000 1.197 332 L HN 0.704 nan 8.230 nan 0.000 0.431 333 E N 4.389 124.586 120.200 -0.003 0.000 2.158 333 E HA 0.537 4.887 4.350 -0.001 0.000 0.271 333 E C -1.058 175.413 176.600 -0.216 0.000 0.911 333 E CA -0.633 55.745 56.400 -0.037 0.000 0.767 333 E CB 2.445 32.313 29.700 0.280 0.000 1.120 333 E HN 0.277 nan 8.360 nan 0.000 0.405 334 I N 3.248 123.498 120.570 -0.533 0.000 2.545 334 I HA 0.435 4.604 4.170 -0.001 0.000 0.292 334 I C -0.858 174.751 176.117 -0.847 0.000 1.040 334 I CA -0.717 60.284 61.300 -0.498 0.000 1.068 334 I CB 1.055 38.916 38.000 -0.233 0.000 1.251 334 I HN 0.502 nan 8.210 nan 0.000 0.424 335 F N 3.658 123.481 119.950 -0.213 0.000 2.557 335 F HA 0.351 4.877 4.527 -0.001 0.000 0.316 335 F C 0.470 176.153 175.800 -0.196 0.000 1.141 335 F CA -0.869 57.004 58.000 -0.213 0.000 0.922 335 F CB 1.828 40.646 39.000 -0.303 0.000 1.194 335 F HN 0.300 nan 8.300 nan 0.000 0.443 336 K N 3.196 123.595 120.400 -0.001 0.000 2.142 336 K HA 0.271 4.591 4.320 -0.001 0.000 0.250 336 K C -1.333 175.247 176.600 -0.032 0.000 1.148 336 K CA 0.222 56.497 56.287 -0.020 0.000 1.040 336 K CB -0.078 32.424 32.500 0.003 0.000 1.569 336 K HN 0.704 nan 8.250 nan 0.000 0.361 337 D N 1.077 121.442 120.400 -0.058 0.000 2.671 337 D HA 0.007 4.646 4.640 -0.001 0.000 0.273 337 D C -0.446 175.799 176.300 -0.092 0.000 1.264 337 D CA -0.481 53.458 54.000 -0.102 0.000 0.788 337 D CB 1.342 42.004 40.800 -0.230 0.000 1.324 337 D HN 0.473 nan 8.370 nan 0.000 0.424 338 D N -0.443 119.932 120.400 -0.041 0.000 2.336 338 D HA -0.006 4.633 4.640 -0.001 0.000 0.229 338 D C 0.295 176.627 176.300 0.054 0.000 1.061 338 D CA 0.685 54.675 54.000 -0.017 0.000 0.875 338 D CB -0.249 40.552 40.800 0.001 0.000 0.904 338 D HN 0.454 nan 8.370 nan 0.000 0.525 339 H N -3.150 115.864 119.070 -0.094 0.000 3.094 339 H HA 0.257 4.812 4.556 -0.001 0.000 0.346 339 H C -1.903 173.352 175.328 -0.122 0.000 1.238 339 H CA -1.095 54.904 56.048 -0.081 0.000 1.209 339 H CB -0.116 29.598 29.762 -0.079 0.000 1.911 339 H HN -0.036 nan 8.280 nan 0.000 0.540 340 Y N 2.292 122.472 120.300 -0.200 0.000 2.309 340 Y HA 0.531 5.081 4.550 0.001 0.000 0.327 340 Y C -0.685 175.076 175.900 -0.230 0.000 1.172 340 Y CA 0.714 58.607 58.100 -0.345 0.000 1.280 340 Y CB 0.715 39.051 38.460 -0.208 0.000 1.234 340 Y HN 0.946 nan 8.280 nan 0.000 0.512 341 A N 4.966 127.309 122.820 -0.794 0.000 2.555 341 A HA 0.533 4.853 4.320 -0.001 0.000 0.297 341 A C -1.985 175.373 177.584 -0.377 0.000 1.060 341 A CA -0.594 51.257 52.037 -0.309 0.000 0.710 341 A CB 1.121 20.052 19.000 -0.116 0.000 1.282 341 A HN 0.745 nan 8.150 nan 0.000 0.399 342 D N -0.002 120.292 120.400 -0.177 0.000 2.570 342 D HA 0.621 5.261 4.640 -0.001 0.000 0.244 342 D C -1.275 174.801 176.300 -0.374 0.000 1.178 342 D CA -0.614 53.238 54.000 -0.248 0.000 0.881 342 D CB 1.517 42.230 40.800 -0.144 0.000 1.453 342 D HN 0.489 nan 8.370 nan 0.000 0.447 343 V N 0.294 119.805 119.914 -0.672 0.000 2.487 343 V HA 0.570 4.689 4.120 -0.001 0.000 0.298 343 V C -0.163 175.575 176.094 -0.593 0.000 1.028 343 V CA -0.853 60.953 62.300 -0.824 0.000 0.860 343 V CB 1.447 32.256 31.823 -1.690 0.000 0.991 343 V HN 0.701 nan 8.190 nan 0.000 0.427 344 S N 3.998 119.540 115.700 -0.263 0.000 2.457 344 S HA 0.332 4.801 4.470 -0.001 0.000 0.289 344 S C 0.788 175.474 174.600 0.144 0.000 1.163 344 S CA -0.590 57.590 58.200 -0.035 0.000 1.078 344 S CB 1.028 64.213 63.200 -0.025 0.000 0.987 344 S HN 0.680 nan 8.310 nan 0.000 0.482 345 L N 5.919 127.306 121.223 0.274 0.000 2.013 345 L HA -0.095 4.245 4.340 -0.001 0.000 0.212 345 L C 2.239 179.291 176.870 0.303 0.000 1.073 345 L CA 2.071 57.178 54.840 0.445 0.000 0.753 345 L CB -1.308 40.982 42.059 0.385 0.000 0.890 345 L HN 0.844 nan 8.230 nan 0.000 0.432 346 N N -0.347 118.463 118.700 0.183 0.000 2.018 346 N HA -0.290 4.449 4.740 -0.001 0.000 0.196 346 N C 1.959 177.524 175.510 0.092 0.000 1.043 346 N CA 2.089 55.202 53.050 0.105 0.000 0.856 346 N CB -0.308 38.226 38.487 0.077 0.000 1.042 346 N HN 0.642 nan 8.380 nan 0.000 0.423 347 Q N -1.105 118.748 119.800 0.089 0.000 2.124 347 Q HA -0.166 4.174 4.340 -0.001 0.000 0.202 347 Q C 1.962 178.057 176.000 0.158 0.000 0.977 347 Q CA 1.305 57.147 55.803 0.066 0.000 0.850 347 Q CB -0.313 28.428 28.738 0.005 0.000 0.901 347 Q HN 0.512 nan 8.270 nan 0.000 0.429 348 W N 1.298 122.599 121.300 0.002 0.000 2.332 348 W HA -0.216 4.444 4.660 0.001 0.000 0.321 348 W C 1.536 178.090 176.519 0.059 0.000 1.219 348 W CA 1.548 58.915 57.345 0.038 0.000 1.277 348 W CB -0.860 28.655 29.460 0.091 0.000 1.161 348 W HN 0.149 nan 8.180 nan 0.000 0.476 349 L N 0.969 122.157 121.223 -0.059 0.000 2.191 349 L HA -0.141 4.199 4.340 -0.001 0.000 0.212 349 L C 2.559 179.393 176.870 -0.060 0.000 1.103 349 L CA 1.268 55.966 54.840 -0.236 0.000 0.769 349 L CB -1.413 40.530 42.059 -0.194 0.000 0.908 349 L HN 0.131 nan 8.230 nan 0.000 0.438 350 A N -0.796 122.026 122.820 0.004 0.000 2.119 350 A HA -0.066 4.253 4.320 -0.001 0.000 0.217 350 A C 1.941 179.540 177.584 0.025 0.000 1.153 350 A CA 0.996 53.036 52.037 0.005 0.000 0.692 350 A CB -0.108 18.893 19.000 0.002 0.000 0.799 350 A HN 0.302 nan 8.150 nan 0.000 0.458 351 M N -0.193 119.441 119.600 0.057 0.000 2.475 351 M HA 0.398 4.878 4.480 -0.001 0.000 0.283 351 M C -0.455 175.892 176.300 0.079 0.000 1.165 351 M CA 0.313 55.654 55.300 0.068 0.000 0.976 351 M CB -0.536 32.120 32.600 0.093 0.000 1.428 351 M HN 0.182 nan 8.290 nan 0.000 0.495 352 L N 0.618 121.880 121.223 0.066 0.000 2.330 352 L HA 0.514 4.853 4.340 -0.001 0.000 0.271 352 L C -2.033 174.887 176.870 0.082 0.000 1.013 352 L CA -1.979 52.914 54.840 0.089 0.000 0.816 352 L CB 1.085 43.213 42.059 0.116 0.000 1.287 352 L HN -0.098 nan 8.230 nan 0.000 0.435 353 P HA -0.042 nan 4.420 nan 0.000 0.262 353 P C 0.306 177.682 177.300 0.127 0.000 1.182 353 P CA 0.027 63.177 63.100 0.084 0.000 0.761 353 P CB 0.440 32.175 31.700 0.058 0.000 0.795 354 E N 1.684 121.935 120.200 0.084 0.000 2.118 354 E HA -0.241 4.109 4.350 -0.001 0.000 0.195 354 E C 1.137 177.799 176.600 0.103 0.000 0.992 354 E CA 1.932 58.380 56.400 0.080 0.000 0.804 354 E CB -0.938 28.794 29.700 0.052 0.000 0.741 354 E HN 0.511 nan 8.360 nan 0.000 0.458 355 T N -1.626 112.998 114.554 0.117 0.000 2.904 355 T HA -0.118 4.231 4.350 -0.001 0.000 0.267 355 T C 1.656 176.464 174.700 0.179 0.000 1.059 355 T CA 0.628 62.799 62.100 0.117 0.000 1.137 355 T CB -0.485 68.442 68.868 0.099 0.000 0.879 355 T HN 0.179 nan 8.240 nan 0.000 0.467 356 F N 2.462 122.440 119.950 0.047 0.000 2.069 356 F HA -0.057 4.469 4.527 -0.001 0.000 0.298 356 F C 2.407 178.280 175.800 0.122 0.000 1.113 356 F CA 0.703 58.756 58.000 0.090 0.000 1.214 356 F CB -0.800 38.237 39.000 0.062 0.000 0.978 356 F HN -0.006 nan 8.300 nan 0.000 0.474 357 V N 0.168 120.117 119.914 0.059 0.000 2.332 357 V HA -0.357 3.762 4.120 -0.001 0.000 0.248 357 V C 2.331 178.402 176.094 -0.038 0.000 1.055 357 V CA 2.286 64.535 62.300 -0.085 0.000 1.038 357 V CB -0.830 30.974 31.823 -0.031 0.000 0.651 357 V HN 0.412 nan 8.190 nan 0.000 0.450 358 Q N -0.431 119.379 119.800 0.017 0.000 2.084 358 Q HA -0.155 4.184 4.340 -0.001 0.000 0.202 358 Q C 2.415 178.394 176.000 -0.036 0.000 0.978 358 Q CA 1.694 57.498 55.803 0.002 0.000 0.844 358 Q CB -0.394 28.362 28.738 0.030 0.000 0.898 358 Q HN 0.687 nan 8.270 nan 0.000 0.426 359 A N 0.159 122.958 122.820 -0.035 0.000 1.972 359 A HA -0.214 4.106 4.320 -0.001 0.000 0.219 359 A C 1.454 178.927 177.584 -0.184 0.000 1.169 359 A CA 1.604 53.584 52.037 -0.094 0.000 0.635 359 A CB -0.550 18.401 19.000 -0.083 0.000 0.810 359 A HN 0.349 nan 8.150 nan 0.000 0.446 360 H N -0.609 118.297 119.070 -0.274 0.000 2.333 360 H HA 0.128 4.684 4.556 -0.001 0.000 0.302 360 H C 1.665 176.862 175.328 -0.219 0.000 1.075 360 H CA 1.780 57.660 56.048 -0.282 0.000 1.348 360 H CB -0.032 29.506 29.762 -0.373 0.000 1.393 360 H HN 0.370 nan 8.280 nan 0.000 0.509 361 L N -0.371 120.796 121.223 -0.092 0.000 2.567 361 L HA 0.036 4.375 4.340 -0.001 0.000 0.225 361 L C 0.002 176.768 176.870 -0.174 0.000 1.119 361 L CA 0.117 54.854 54.840 -0.172 0.000 0.871 361 L CB 0.346 42.238 42.059 -0.277 0.000 1.036 361 L HN 0.227 nan 8.230 nan 0.000 0.459 362 D N 0.565 120.887 120.400 -0.130 0.000 2.981 362 D HA -0.154 4.485 4.640 -0.001 0.000 0.223 362 D C -0.314 175.923 176.300 -0.106 0.000 1.151 362 D CA 0.935 54.871 54.000 -0.107 0.000 0.827 362 D CB -1.366 39.372 40.800 -0.105 0.000 1.101 362 D HN 0.228 nan 8.370 nan 0.000 0.426 363 L N -1.053 120.102 121.223 -0.114 0.000 2.283 363 L HA 0.807 5.147 4.340 -0.001 0.000 0.259 363 L C 1.405 178.268 176.870 -0.013 0.000 1.027 363 L CA -0.798 53.988 54.840 -0.090 0.000 0.828 363 L CB 1.837 43.779 42.059 -0.195 0.000 1.380 363 L HN 0.009 nan 8.230 nan 0.000 0.425 364 G N -0.751 108.069 108.800 0.033 0.000 2.642 364 G HA2 0.262 4.221 3.960 -0.001 0.000 0.291 364 G HA3 0.262 4.221 3.960 -0.001 0.000 0.291 364 G C 0.308 175.260 174.900 0.087 0.000 1.345 364 G CA -0.415 44.714 45.100 0.049 0.000 1.043 364 G HN 0.674 nan 8.290 nan 0.000 0.528 365 K N -0.749 119.686 120.400 0.060 0.000 2.173 365 K HA -0.161 4.158 4.320 -0.001 0.000 0.207 365 K C 1.594 178.226 176.600 0.054 0.000 1.046 365 K CA 1.994 58.312 56.287 0.052 0.000 0.929 365 K CB -0.039 32.479 32.500 0.031 0.000 0.720 365 K HN 0.393 nan 8.250 nan 0.000 0.453 366 D N -0.361 120.077 120.400 0.064 0.000 2.218 366 D HA -0.164 4.476 4.640 -0.001 0.000 0.204 366 D C 1.455 177.807 176.300 0.087 0.000 0.976 366 D CA 0.856 54.891 54.000 0.059 0.000 0.853 366 D CB -0.103 40.731 40.800 0.057 0.000 0.939 366 D HN 0.237 nan 8.370 nan 0.000 0.481 367 F N 1.412 121.352 119.950 -0.018 0.000 2.123 367 F HA -0.143 4.383 4.527 -0.001 0.000 0.289 367 F C 2.569 178.357 175.800 -0.020 0.000 1.099 367 F CA 1.882 59.869 58.000 -0.022 0.000 1.234 367 F CB -0.779 38.203 39.000 -0.031 0.000 1.034 367 F HN -0.055 nan 8.300 nan 0.000 0.479 368 T N -2.110 112.481 114.554 0.061 0.000 2.946 368 T HA -0.199 4.150 4.350 -0.001 0.000 0.271 368 T C 1.446 176.074 174.700 -0.121 0.000 1.104 368 T CA 1.703 63.772 62.100 -0.051 0.000 1.114 368 T CB -0.719 68.181 68.868 0.053 0.000 0.867 368 T HN 0.240 nan 8.240 nan 0.000 0.513 369 D N 1.123 121.463 120.400 -0.100 0.000 2.269 369 D HA -0.009 4.630 4.640 -0.001 0.000 0.208 369 D C 2.194 178.422 176.300 -0.120 0.000 0.963 369 D CA 1.146 55.098 54.000 -0.080 0.000 0.864 369 D CB 0.056 40.829 40.800 -0.046 0.000 0.936 369 D HN 0.597 nan 8.370 nan 0.000 0.505 370 V N -1.422 118.364 119.914 -0.213 0.000 3.608 370 V HA 0.158 4.277 4.120 -0.001 0.000 0.269 370 V C 0.860 176.817 176.094 -0.228 0.000 1.245 370 V CA -0.103 62.065 62.300 -0.221 0.000 1.138 370 V CB -0.613 31.046 31.823 -0.273 0.000 0.841 370 V HN -0.078 nan 8.190 nan 0.000 0.451 371 L N 2.100 123.170 121.223 -0.256 0.000 2.461 371 L HA 0.391 4.730 4.340 -0.001 0.000 0.272 371 L C 0.500 177.329 176.870 -0.068 0.000 1.197 371 L CA 0.844 55.584 54.840 -0.167 0.000 0.836 371 L CB 0.842 42.813 42.059 -0.147 0.000 1.105 371 L HN 0.359 nan 8.230 nan 0.000 0.477 372 S N 0.893 116.580 115.700 -0.021 0.000 2.526 372 S HA 0.352 4.822 4.470 -0.001 0.000 0.293 372 S C 0.330 174.925 174.600 -0.009 0.000 1.092 372 S CA -0.866 57.344 58.200 0.017 0.000 0.980 372 S CB 1.702 64.970 63.200 0.113 0.000 1.048 372 S HN 0.654 nan 8.310 nan 0.000 0.483 373 K N 1.562 121.952 120.400 -0.016 0.000 2.426 373 K HA 0.170 4.489 4.320 -0.001 0.000 0.193 373 K C -0.217 176.336 176.600 -0.078 0.000 1.028 373 K CA 0.335 56.603 56.287 -0.030 0.000 1.047 373 K CB 0.141 32.632 32.500 -0.014 0.000 0.821 373 K HN 0.500 nan 8.250 nan 0.000 0.513 374 E N 1.802 121.918 120.200 -0.140 0.000 2.249 374 E HA 0.112 4.462 4.350 -0.001 0.000 0.280 374 E C -0.884 175.403 176.600 -0.522 0.000 1.016 374 E CA -0.302 55.931 56.400 -0.277 0.000 0.830 374 E CB 1.256 30.796 29.700 -0.266 0.000 1.081 374 E HN -0.095 nan 8.360 nan 0.000 0.395 375 K N 3.386 123.554 120.400 -0.386 0.000 2.349 375 K HA 0.071 4.391 4.320 -0.001 0.000 0.289 375 K C -0.891 175.462 176.600 -0.412 0.000 1.064 375 K CA -0.301 55.793 56.287 -0.321 0.000 0.947 375 K CB 0.244 32.643 32.500 -0.169 0.000 1.007 375 K HN 0.577 nan 8.250 nan 0.000 0.478 376 H N 5.892 124.948 119.070 -0.023 0.000 2.673 376 H HA 0.145 4.700 4.556 -0.001 0.000 0.293 376 H C -2.064 173.251 175.328 -0.021 0.000 1.065 376 H CA -2.390 53.644 56.048 -0.025 0.000 1.236 376 H CB 1.446 31.199 29.762 -0.015 0.000 1.389 376 H HN 0.526 nan 8.280 nan 0.000 0.481 377 P HA -0.115 nan 4.420 nan 0.000 0.217 377 P C 0.294 177.623 177.300 0.048 0.000 1.150 377 P CA 0.793 63.889 63.100 -0.007 0.000 0.832 377 P CB 0.583 32.250 31.700 -0.055 0.000 0.787 378 V N 0.556 120.509 119.914 0.066 0.000 2.487 378 V HA 0.367 4.486 4.120 -0.001 0.000 0.298 378 V C -0.028 176.112 176.094 0.076 0.000 1.028 378 V CA -1.043 61.307 62.300 0.085 0.000 0.860 378 V CB 1.970 33.834 31.823 0.067 0.000 0.991 378 V HN -0.144 nan 8.190 nan 0.000 0.427 379 V N 1.656 121.620 119.914 0.083 0.000 2.628 379 V HA 0.760 4.879 4.120 -0.001 0.000 0.306 379 V C -0.313 175.805 176.094 0.041 0.000 1.045 379 V CA -0.834 61.493 62.300 0.045 0.000 0.905 379 V CB 1.811 33.663 31.823 0.049 0.000 0.997 379 V HN 0.644 nan 8.190 nan 0.000 0.436 380 K N 3.126 123.533 120.400 0.013 0.000 2.172 380 K HA 0.424 4.744 4.320 -0.001 0.000 0.276 380 K C 0.036 176.644 176.600 0.013 0.000 1.013 380 K CA -0.566 55.732 56.287 0.018 0.000 0.913 380 K CB 1.114 33.617 32.500 0.005 0.000 1.055 380 K HN 0.956 nan 8.250 nan 0.000 0.461 381 K N 3.684 124.098 120.400 0.022 0.000 2.395 381 K HA 0.037 4.356 4.320 -0.001 0.000 0.283 381 K C 0.541 177.144 176.600 0.006 0.000 1.068 381 K CA 0.393 56.690 56.287 0.016 0.000 1.039 381 K CB 0.303 32.816 32.500 0.022 0.000 0.924 381 K HN 0.405 nan 8.250 nan 0.000 0.468 382 K N 0.000 120.399 120.400 -0.002 0.000 2.780 382 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 382 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 382 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 382 K HN 0.000 nan 8.250 nan 0.000 0.543