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 3a9x_1_B DATA FIRST_RESID 18 DATA SEQUENCE RKVYMDYNAT TPLEPEVIQA VTEAMKEAWG NPSSSYVAGR KAKDIINTAR DATA SEQUENCE ASLAKMIGGK PQDIIFTSGG TESNNLVIHS TVRCFHEQQT LQXXXXXXXX DATA SEQUENCE XXXXTRPHFI TCTVEHDSIR LPLEHLVEDQ VAEVTFVPVS KVNGQVEVED DATA SEQUENCE ILAAVRPTTC LVTIMLANNE TGVIMPISEI SRRIKALNQI RAASGLPRVL DATA SEQUENCE VHTDAAQALG KRRVDVEDLG VDFLTIVGHK FYGPRIGALY VRGVGKLTPL DATA SEQUENCE YPMLFGGGQE RNFRPGTENT PMIAGLGKAA DLVSENCETY EAHMRDIRDY DATA SEQUENCE LEERLEAEFG KRIHLNSRFP GVERLPNTCN FSIQGSQLRG YMVLAQCQTL DATA SEQUENCE LASVGASCHS DHEDRPSPVL LSCGIPVDVA RNAVRLSVGR STTRAEVDLI DATA SEQUENCE VQDLKQAVNQ LE 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.331 176.300 0.051 0.000 0.893 18 R CA 0.000 56.125 56.100 0.041 0.000 0.921 18 R CB 0.000 30.327 30.300 0.044 0.000 0.687 19 K N 1.026 121.460 120.400 0.056 0.000 2.154 19 K HA 0.670 4.990 4.320 -0.000 0.000 0.264 19 K C -0.166 176.490 176.600 0.094 0.000 1.008 19 K CA -0.710 55.620 56.287 0.071 0.000 0.937 19 K CB 2.110 34.655 32.500 0.075 0.000 1.002 19 K HN 0.385 nan 8.250 nan 0.000 0.469 20 V N 2.783 122.759 119.914 0.104 0.000 2.417 20 V HA 0.162 4.282 4.120 -0.000 0.000 0.291 20 V C -0.881 175.309 176.094 0.160 0.000 1.024 20 V CA -0.880 61.499 62.300 0.132 0.000 0.861 20 V CB 1.025 32.915 31.823 0.113 0.000 0.985 20 V HN 0.572 nan 8.190 nan 0.000 0.436 21 Y N 5.722 126.044 120.300 0.037 0.000 2.341 21 Y HA 0.554 5.103 4.550 -0.000 0.000 0.340 21 Y C 0.425 176.313 175.900 -0.020 0.000 0.997 21 Y CA -0.498 57.570 58.100 -0.053 0.000 1.149 21 Y CB 1.400 39.757 38.460 -0.172 0.000 1.171 21 Y HN 0.605 nan 8.280 nan 0.000 0.494 22 M N 5.465 124.843 119.600 -0.369 0.000 3.114 22 M HA 0.139 4.619 4.480 -0.000 0.000 0.386 22 M C -0.798 175.259 176.300 -0.405 0.000 1.417 22 M CA 0.143 55.320 55.300 -0.205 0.000 0.785 22 M CB 0.529 33.127 32.600 -0.004 0.000 1.413 22 M HN 0.579 nan 8.290 nan 0.000 0.498 23 D N -0.908 118.873 120.400 -1.032 0.000 2.891 23 D HA 0.174 4.814 4.640 -0.000 0.000 0.332 23 D C 0.581 176.577 176.300 -0.506 0.000 1.369 23 D CA -0.077 53.492 54.000 -0.719 0.000 0.827 23 D CB 0.323 40.690 40.800 -0.722 0.000 1.141 23 D HN 0.180 nan 8.370 nan 0.000 0.464 24 Y N -0.033 120.187 120.300 -0.133 0.000 2.333 24 Y HA -0.065 4.485 4.550 -0.000 0.000 0.290 24 Y C 1.841 177.758 175.900 0.029 0.000 1.144 24 Y CA 0.860 59.012 58.100 0.087 0.000 1.228 24 Y CB -0.148 38.380 38.460 0.114 0.000 0.985 24 Y HN 0.133 nan 8.280 nan 0.000 0.542 25 N N -0.560 118.212 118.700 0.120 0.000 2.512 25 N HA -0.040 4.700 4.740 -0.000 0.000 0.183 25 N C 1.731 177.266 175.510 0.042 0.000 1.073 25 N CA 0.902 53.997 53.050 0.076 0.000 0.911 25 N CB -0.204 38.321 38.487 0.064 0.000 0.964 25 N HN 0.371 nan 8.380 nan 0.000 0.447 26 A N -1.240 121.603 122.820 0.038 0.000 1.887 26 A HA 0.168 4.488 4.320 -0.000 0.000 0.212 26 A C 1.127 178.788 177.584 0.129 0.000 1.198 26 A CA 1.088 53.165 52.037 0.066 0.000 0.628 26 A CB 0.131 19.157 19.000 0.043 0.000 0.847 26 A HN 0.234 nan 8.150 nan 0.000 0.449 27 T N -2.184 112.457 114.554 0.144 0.000 2.770 27 T HA 0.493 4.843 4.350 -0.000 0.000 0.323 27 T C -1.139 173.616 174.700 0.091 0.000 1.683 27 T CA 0.130 62.339 62.100 0.182 0.000 1.024 27 T CB 1.124 70.156 68.868 0.273 0.000 1.557 27 T HN 0.739 nan 8.240 nan 0.000 0.494 28 T N 1.196 115.725 114.554 -0.041 0.000 2.916 28 T HA 0.888 5.238 4.350 -0.000 0.000 0.292 28 T C -2.860 171.683 174.700 -0.261 0.000 1.064 28 T CA -1.573 60.383 62.100 -0.239 0.000 1.011 28 T CB 1.785 70.223 68.868 -0.716 0.000 1.152 28 T HN 0.520 nan 8.240 nan 0.000 0.510 29 P HA 0.446 nan 4.420 nan 0.000 0.279 29 P C -0.690 176.607 177.300 -0.006 0.000 1.276 29 P CA -0.814 62.220 63.100 -0.110 0.000 0.801 29 P CB 0.896 32.570 31.700 -0.042 0.000 1.127 30 L N 0.986 122.233 121.223 0.040 0.000 2.305 30 L HA 0.224 4.564 4.340 -0.000 0.000 0.281 30 L C 1.206 178.164 176.870 0.148 0.000 1.085 30 L CA -0.642 54.251 54.840 0.088 0.000 0.813 30 L CB 0.283 42.361 42.059 0.031 0.000 1.157 30 L HN 0.303 nan 8.230 nan 0.000 0.436 31 E N 3.681 123.990 120.200 0.183 0.000 2.415 31 E HA -0.015 4.335 4.350 -0.000 0.000 0.262 31 E C -1.630 175.011 176.600 0.068 0.000 1.038 31 E CA -1.317 55.148 56.400 0.109 0.000 0.921 31 E CB 0.691 30.429 29.700 0.064 0.000 0.950 31 E HN 0.370 nan 8.360 nan 0.000 0.438 32 P HA -0.177 nan 4.420 nan 0.000 0.216 32 P C 0.692 178.012 177.300 0.034 0.000 1.153 32 P CA 1.404 64.525 63.100 0.035 0.000 0.858 32 P CB 0.315 32.031 31.700 0.027 0.000 0.789 33 E N -0.901 119.321 120.200 0.037 0.000 2.110 33 E HA -0.114 4.235 4.350 -0.000 0.000 0.193 33 E C 1.971 178.596 176.600 0.042 0.000 0.988 33 E CA 0.872 57.295 56.400 0.038 0.000 0.804 33 E CB -1.175 28.550 29.700 0.043 0.000 0.745 33 E HN 0.060 nan 8.360 nan 0.000 0.458 34 V N 0.833 120.777 119.914 0.050 0.000 2.307 34 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 34 V C 2.142 178.255 176.094 0.032 0.000 1.045 34 V CA 1.459 63.788 62.300 0.048 0.000 1.024 34 V CB -0.374 31.485 31.823 0.059 0.000 0.651 34 V HN 0.268 nan 8.190 nan 0.000 0.449 35 I N -0.118 120.470 120.570 0.030 0.000 2.264 35 I HA -0.326 3.844 4.170 -0.000 0.000 0.248 35 I C 2.637 178.765 176.117 0.018 0.000 1.111 35 I CA 1.902 63.214 61.300 0.019 0.000 1.382 35 I CB -0.316 37.694 38.000 0.018 0.000 1.060 35 I HN 0.428 nan 8.210 nan 0.000 0.418 36 Q N 1.047 120.860 119.800 0.022 0.000 2.046 36 Q HA -0.200 4.140 4.340 -0.000 0.000 0.200 36 Q C 2.367 178.380 176.000 0.022 0.000 0.975 36 Q CA 1.730 57.546 55.803 0.021 0.000 0.836 36 Q CB -0.086 28.666 28.738 0.022 0.000 0.896 36 Q HN 0.509 nan 8.270 nan 0.000 0.428 37 A N 0.226 123.061 122.820 0.025 0.000 1.892 37 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 37 A C 2.236 179.832 177.584 0.019 0.000 1.188 37 A CA 1.839 53.890 52.037 0.024 0.000 0.631 37 A CB -1.016 18.002 19.000 0.029 0.000 0.822 37 A HN 0.322 nan 8.150 nan 0.000 0.447 38 V N -0.427 119.496 119.914 0.015 0.000 2.287 38 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 38 V C 2.752 178.856 176.094 0.016 0.000 1.053 38 V CA 2.553 64.859 62.300 0.010 0.000 1.027 38 V CB -1.331 30.494 31.823 0.004 0.000 0.646 38 V HN 0.623 nan 8.190 nan 0.000 0.447 39 T N -0.654 113.910 114.554 0.016 0.000 2.746 39 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 39 T C 1.848 176.565 174.700 0.028 0.000 1.039 39 T CA 1.676 63.787 62.100 0.019 0.000 1.142 39 T CB -0.231 68.646 68.868 0.015 0.000 0.866 39 T HN 0.573 nan 8.240 nan 0.000 0.444 40 E N 0.804 121.021 120.200 0.029 0.000 2.077 40 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 40 E C 2.535 179.165 176.600 0.049 0.000 0.989 40 E CA 0.997 57.419 56.400 0.037 0.000 0.800 40 E CB -0.199 29.520 29.700 0.032 0.000 0.746 40 E HN 0.465 nan 8.360 nan 0.000 0.452 41 A N 0.964 123.808 122.820 0.041 0.000 1.902 41 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 41 A C 2.146 179.777 177.584 0.079 0.000 1.181 41 A CA 1.340 53.405 52.037 0.046 0.000 0.623 41 A CB -0.460 18.553 19.000 0.021 0.000 0.818 41 A HN 0.165 nan 8.150 nan 0.000 0.443 42 M N -0.910 118.729 119.600 0.066 0.000 2.149 42 M HA -0.214 4.266 4.480 -0.000 0.000 0.261 42 M C 2.133 178.502 176.300 0.115 0.000 1.064 42 M CA 1.904 57.251 55.300 0.079 0.000 1.102 42 M CB -0.274 32.351 32.600 0.041 0.000 1.369 42 M HN 0.376 nan 8.290 nan 0.000 0.408 43 K N -0.361 120.100 120.400 0.100 0.000 2.044 43 K HA -0.082 4.238 4.320 -0.000 0.000 0.204 43 K C 1.614 178.345 176.600 0.219 0.000 1.049 43 K CA 1.124 57.477 56.287 0.111 0.000 0.945 43 K CB 0.103 32.644 32.500 0.068 0.000 0.724 43 K HN 0.420 nan 8.250 nan 0.000 0.440 44 E N -0.382 119.935 120.200 0.196 0.000 2.389 44 E HA 0.102 4.452 4.350 -0.000 0.000 0.199 44 E C 0.322 177.015 176.600 0.156 0.000 0.978 44 E CA 0.083 56.606 56.400 0.205 0.000 0.912 44 E CB 0.845 30.610 29.700 0.107 0.000 0.907 44 E HN 0.109 nan 8.360 nan 0.000 0.494 45 A N 2.055 124.951 122.820 0.126 0.000 3.041 45 A HA 0.112 4.432 4.320 -0.000 0.000 0.307 45 A C 0.657 178.271 177.584 0.050 0.000 1.116 45 A CA -0.768 51.275 52.037 0.011 0.000 1.001 45 A CB -0.872 18.127 19.000 -0.001 0.000 1.112 45 A HN 0.472 nan 8.150 nan 0.000 0.556 46 W N -0.456 120.871 121.300 0.045 0.000 3.139 46 W HA 0.301 4.961 4.660 -0.000 0.000 0.260 46 W C 0.259 176.828 176.519 0.083 0.000 1.312 46 W CA 0.221 57.595 57.345 0.049 0.000 1.606 46 W CB -0.672 28.815 29.460 0.045 0.000 1.118 46 W HN 0.382 nan 8.180 nan 0.000 0.675 47 G N 1.924 110.479 108.800 -0.409 0.000 2.557 47 G HA2 0.019 3.979 3.960 -0.000 0.000 0.292 47 G HA3 0.019 3.979 3.960 -0.000 0.000 0.292 47 G C -0.566 174.247 174.900 -0.146 0.000 1.237 47 G CA -0.815 44.090 45.100 -0.325 0.000 0.978 47 G HN -0.001 nan 8.290 nan 0.000 0.498 48 N N 0.388 119.025 118.700 -0.105 0.000 2.431 48 N HA 0.141 4.881 4.740 -0.000 0.000 0.265 48 N C -1.402 173.971 175.510 -0.228 0.000 1.184 48 N CA -1.756 51.229 53.050 -0.108 0.000 0.943 48 N CB 1.509 39.971 38.487 -0.041 0.000 1.080 48 N HN -0.079 nan 8.380 nan 0.000 0.477 49 P HA -0.149 nan 4.420 nan 0.000 0.217 49 P C 0.627 177.836 177.300 -0.153 0.000 1.148 49 P CA 1.560 64.574 63.100 -0.144 0.000 0.834 49 P CB 0.170 31.822 31.700 -0.079 0.000 0.783 50 S N -3.614 112.005 115.700 -0.135 0.000 2.556 50 S HA 0.198 4.667 4.470 -0.000 0.000 0.216 50 S C 0.843 175.351 174.600 -0.153 0.000 0.970 50 S CA -0.340 57.790 58.200 -0.117 0.000 0.912 50 S CB -0.389 62.772 63.200 -0.066 0.000 0.790 50 S HN -0.080 nan 8.310 nan 0.000 0.504 51 S N 2.351 117.893 115.700 -0.263 0.000 2.617 51 S HA 0.371 4.841 4.470 -0.000 0.000 0.269 51 S C 1.038 175.407 174.600 -0.385 0.000 1.292 51 S CA -0.317 57.688 58.200 -0.325 0.000 1.010 51 S CB 1.300 64.173 63.200 -0.546 0.000 0.944 51 S HN 0.582 nan 8.310 nan 0.000 0.536 52 S N -0.232 115.322 115.700 -0.243 0.000 2.556 52 S HA 0.135 4.605 4.470 -0.000 0.000 0.216 52 S C 0.214 174.729 174.600 -0.142 0.000 0.970 52 S CA -0.509 57.589 58.200 -0.171 0.000 0.912 52 S CB -0.598 62.562 63.200 -0.066 0.000 0.790 52 S HN 0.710 nan 8.310 nan 0.000 0.504 53 Y N -0.112 120.135 120.300 -0.088 0.000 2.314 53 Y HA 0.591 5.141 4.550 -0.000 0.000 0.334 53 Y C 1.417 177.237 175.900 -0.134 0.000 1.266 53 Y CA -1.583 56.457 58.100 -0.100 0.000 1.391 53 Y CB -0.036 38.359 38.460 -0.108 0.000 1.306 53 Y HN -0.167 nan 8.280 nan 0.000 0.558 54 V N 1.912 121.877 119.914 0.084 0.000 2.231 54 V HA -0.417 3.703 4.120 -0.000 0.000 0.250 54 V C 2.554 178.595 176.094 -0.087 0.000 1.058 54 V CA 3.045 65.343 62.300 -0.004 0.000 1.022 54 V CB -1.605 30.240 31.823 0.036 0.000 0.640 54 V HN 1.056 nan 8.190 nan 0.000 0.445 55 A N 0.113 122.883 122.820 -0.082 0.000 1.986 55 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 55 A C 2.335 179.668 177.584 -0.418 0.000 1.171 55 A CA 2.154 53.979 52.037 -0.353 0.000 0.640 55 A CB -1.068 17.343 19.000 -0.980 0.000 0.811 55 A HN 0.599 nan 8.150 nan 0.000 0.451 56 G N -1.362 107.083 108.800 -0.591 0.000 2.408 56 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.213 56 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.213 56 G C 1.743 176.416 174.900 -0.378 0.000 1.177 56 G CA 0.595 45.303 45.100 -0.653 0.000 0.802 56 G HN 0.456 nan 8.290 nan 0.000 0.533 57 R N 0.313 120.618 120.500 -0.324 0.000 2.096 57 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 57 R C 2.558 178.778 176.300 -0.133 0.000 1.127 57 R CA 1.358 57.344 56.100 -0.190 0.000 0.968 57 R CB -0.171 30.043 30.300 -0.143 0.000 0.861 57 R HN 0.251 nan 8.270 nan 0.000 0.440 58 K N -0.378 119.944 120.400 -0.129 0.000 2.097 58 K HA -0.086 4.234 4.320 -0.000 0.000 0.206 58 K C 1.968 178.519 176.600 -0.081 0.000 1.049 58 K CA 1.318 57.556 56.287 -0.081 0.000 0.933 58 K CB -0.040 32.423 32.500 -0.061 0.000 0.717 58 K HN 0.149 nan 8.250 nan 0.000 0.442 59 A N 1.518 124.268 122.820 -0.118 0.000 1.898 59 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 59 A C 2.003 179.536 177.584 -0.085 0.000 1.181 59 A CA 1.533 53.511 52.037 -0.098 0.000 0.620 59 A CB -0.347 18.581 19.000 -0.119 0.000 0.819 59 A HN 0.220 nan 8.150 nan 0.000 0.442 60 K N -0.356 119.984 120.400 -0.099 0.000 2.057 60 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 60 K C 1.229 177.806 176.600 -0.038 0.000 1.049 60 K CA 1.814 58.060 56.287 -0.068 0.000 0.931 60 K CB -0.250 32.202 32.500 -0.081 0.000 0.714 60 K HN 0.376 nan 8.250 nan 0.000 0.440 61 D N 0.945 121.321 120.400 -0.041 0.000 2.097 61 D HA -0.146 4.494 4.640 -0.000 0.000 0.195 61 D C 2.020 178.316 176.300 -0.006 0.000 0.989 61 D CA 1.159 55.148 54.000 -0.018 0.000 0.827 61 D CB -0.219 40.570 40.800 -0.019 0.000 0.966 61 D HN 0.288 nan 8.370 nan 0.000 0.456 62 I N 0.846 121.404 120.570 -0.020 0.000 2.163 62 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 62 I C 2.420 178.527 176.117 -0.015 0.000 1.085 62 I CA 0.915 62.205 61.300 -0.016 0.000 1.347 62 I CB -0.186 37.794 38.000 -0.033 0.000 1.044 62 I HN -0.032 nan 8.210 nan 0.000 0.408 63 I N 0.648 121.197 120.570 -0.035 0.000 2.179 63 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 63 I C 2.222 178.398 176.117 0.099 0.000 1.088 63 I CA 1.312 62.596 61.300 -0.027 0.000 1.357 63 I CB -0.585 37.391 38.000 -0.041 0.000 1.051 63 I HN 0.315 nan 8.210 nan 0.000 0.409 64 N N 0.405 119.151 118.700 0.076 0.000 2.120 64 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 64 N C 1.877 177.449 175.510 0.104 0.000 1.024 64 N CA 1.805 54.912 53.050 0.096 0.000 0.852 64 N CB -0.655 37.863 38.487 0.053 0.000 1.003 64 N HN 0.311 nan 8.380 nan 0.000 0.424 65 T N 1.112 115.713 114.554 0.078 0.000 2.746 65 T HA -0.054 4.296 4.350 -0.000 0.000 0.267 65 T C 1.974 176.743 174.700 0.116 0.000 1.039 65 T CA 1.402 63.548 62.100 0.076 0.000 1.142 65 T CB -0.312 68.586 68.868 0.050 0.000 0.866 65 T HN 0.344 nan 8.240 nan 0.000 0.444 66 A N 1.403 124.310 122.820 0.145 0.000 1.930 66 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 66 A C 2.299 180.099 177.584 0.359 0.000 1.175 66 A CA 1.557 53.727 52.037 0.222 0.000 0.627 66 A CB -0.542 18.549 19.000 0.151 0.000 0.815 66 A HN 0.384 nan 8.150 nan 0.000 0.443 67 R N -0.456 120.290 120.500 0.411 0.000 2.081 67 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 67 R C 2.337 178.709 176.300 0.119 0.000 1.131 67 R CA 1.378 57.628 56.100 0.251 0.000 0.960 67 R CB -0.374 30.050 30.300 0.206 0.000 0.856 67 R HN 0.461 nan 8.270 nan 0.000 0.436 68 A N 0.001 122.889 122.820 0.113 0.000 1.902 68 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 68 A C 2.185 179.813 177.584 0.073 0.000 1.181 68 A CA 1.898 53.980 52.037 0.074 0.000 0.623 68 A CB -0.540 18.497 19.000 0.062 0.000 0.818 68 A HN 0.396 nan 8.150 nan 0.000 0.443 69 S N -0.340 115.420 115.700 0.100 0.000 2.359 69 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 69 S C 1.795 176.449 174.600 0.090 0.000 1.035 69 S CA 1.672 59.930 58.200 0.097 0.000 1.018 69 S CB -0.417 62.860 63.200 0.128 0.000 0.876 69 S HN 0.396 nan 8.310 nan 0.000 0.448 70 L N 1.295 122.588 121.223 0.116 0.000 2.083 70 L HA -0.038 4.302 4.340 -0.000 0.000 0.209 70 L C 2.548 179.437 176.870 0.033 0.000 1.083 70 L CA 1.566 56.458 54.840 0.088 0.000 0.752 70 L CB -0.860 41.258 42.059 0.098 0.000 0.899 70 L HN 0.307 nan 8.230 nan 0.000 0.433 71 A N -0.962 121.877 122.820 0.032 0.000 1.930 71 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 71 A C 2.420 180.005 177.584 0.001 0.000 1.175 71 A CA 1.782 53.834 52.037 0.024 0.000 0.627 71 A CB -0.448 18.572 19.000 0.034 0.000 0.815 71 A HN 0.356 nan 8.150 nan 0.000 0.443 72 K N -0.803 119.602 120.400 0.009 0.000 2.057 72 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 72 K C 2.109 178.691 176.600 -0.029 0.000 1.050 72 K CA 1.465 57.748 56.287 -0.006 0.000 0.935 72 K CB -0.252 32.251 32.500 0.004 0.000 0.715 72 K HN 0.521 nan 8.250 nan 0.000 0.439 73 M N 1.355 120.937 119.600 -0.030 0.000 2.144 73 M HA -0.172 4.308 4.480 -0.000 0.000 0.260 73 M C 1.642 177.881 176.300 -0.101 0.000 1.067 73 M CA 1.760 57.019 55.300 -0.068 0.000 1.095 73 M CB -0.124 32.422 32.600 -0.090 0.000 1.365 73 M HN 0.320 nan 8.290 nan 0.000 0.406 74 I N -3.909 116.597 120.570 -0.106 0.000 3.941 74 I HA 0.422 4.592 4.170 -0.000 0.000 0.335 74 I C 0.951 176.969 176.117 -0.165 0.000 1.402 74 I CA 0.436 61.643 61.300 -0.154 0.000 1.112 74 I CB -0.294 37.585 38.000 -0.202 0.000 1.043 74 I HN 0.458 nan 8.210 nan 0.000 0.395 75 G N 1.112 109.847 108.800 -0.108 0.000 2.143 75 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.248 75 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.248 75 G C 0.381 175.233 174.900 -0.080 0.000 0.991 75 G CA -0.007 45.039 45.100 -0.091 0.000 0.689 75 G HN 0.858 nan 8.290 nan 0.000 0.522 76 G N -0.953 107.808 108.800 -0.065 0.000 2.971 76 G HA2 0.704 4.664 3.960 -0.000 0.000 0.235 76 G HA3 0.704 4.664 3.960 -0.000 0.000 0.235 76 G C -0.319 174.613 174.900 0.053 0.000 1.351 76 G CA -0.720 44.392 45.100 0.020 0.000 1.039 76 G HN 0.401 nan 8.290 nan 0.000 0.563 77 K N 0.326 120.782 120.400 0.093 0.000 2.156 77 K HA 0.340 4.660 4.320 -0.000 0.000 0.254 77 K C -1.920 174.705 176.600 0.042 0.000 0.950 77 K CA -1.636 54.681 56.287 0.051 0.000 0.849 77 K CB 2.730 35.251 32.500 0.035 0.000 1.100 77 K HN 0.005 nan 8.250 nan 0.000 0.434 78 P HA -0.297 nan 4.420 nan 0.000 0.216 78 P C 1.022 178.320 177.300 -0.003 0.000 1.154 78 P CA 1.432 64.543 63.100 0.017 0.000 0.865 78 P CB 0.183 31.901 31.700 0.029 0.000 0.789 79 Q N -1.022 118.777 119.800 -0.003 0.000 2.364 79 Q HA -0.131 4.209 4.340 -0.000 0.000 0.207 79 Q C 0.738 176.698 176.000 -0.067 0.000 0.970 79 Q CA 1.338 57.132 55.803 -0.016 0.000 0.888 79 Q CB -0.965 27.769 28.738 -0.006 0.000 0.951 79 Q HN 0.297 nan 8.270 nan 0.000 0.469 80 D N 0.499 120.851 120.400 -0.080 0.000 2.355 80 D HA 0.106 4.746 4.640 -0.000 0.000 0.218 80 D C 0.189 176.387 176.300 -0.171 0.000 1.004 80 D CA 0.240 54.128 54.000 -0.187 0.000 0.880 80 D CB 0.438 41.161 40.800 -0.129 0.000 0.911 80 D HN 0.212 nan 8.370 nan 0.000 0.528 81 I N 1.649 122.148 120.570 -0.117 0.000 2.336 81 I HA 0.303 4.473 4.170 -0.000 0.000 0.292 81 I C 0.244 176.206 176.117 -0.259 0.000 0.991 81 I CA -0.617 60.577 61.300 -0.177 0.000 1.227 81 I CB 1.392 39.259 38.000 -0.221 0.000 1.366 81 I HN -0.268 nan 8.210 nan 0.000 0.466 82 I N 6.118 126.539 120.570 -0.249 0.000 2.418 82 I HA 0.313 4.483 4.170 -0.000 0.000 0.287 82 I C -0.516 175.481 176.117 -0.201 0.000 1.008 82 I CA -0.620 60.574 61.300 -0.177 0.000 1.104 82 I CB 1.522 39.479 38.000 -0.071 0.000 1.264 82 I HN 0.209 nan 8.210 nan 0.000 0.438 83 F N 4.064 124.055 119.950 0.068 0.000 2.429 83 F HA 0.433 4.960 4.527 -0.000 0.000 0.348 83 F C 1.046 176.878 175.800 0.052 0.000 1.109 83 F CA -0.155 57.884 58.000 0.063 0.000 1.232 83 F CB 1.295 40.329 39.000 0.056 0.000 1.157 83 F HN 0.442 nan 8.300 nan 0.000 0.564 84 T N -2.629 112.073 114.554 0.247 0.000 2.838 84 T HA 0.332 4.682 4.350 -0.000 0.000 0.292 84 T C 0.598 175.371 174.700 0.121 0.000 1.113 84 T CA -0.172 62.012 62.100 0.141 0.000 1.008 84 T CB 1.241 70.165 68.868 0.093 0.000 1.259 84 T HN 0.468 nan 8.240 nan 0.000 0.520 85 S N -0.822 114.922 115.700 0.074 0.000 2.607 85 S HA 0.518 4.988 4.470 -0.000 0.000 0.224 85 S C 1.130 175.761 174.600 0.051 0.000 0.969 85 S CA 0.365 58.596 58.200 0.051 0.000 0.927 85 S CB -0.966 62.251 63.200 0.028 0.000 0.772 85 S HN 1.829 nan 8.310 nan 0.000 0.533 86 G N -0.860 107.981 108.800 0.068 0.000 2.359 86 G HA2 0.391 4.351 3.960 -0.000 0.000 0.293 86 G HA3 0.391 4.351 3.960 -0.000 0.000 0.293 86 G C 0.408 175.349 174.900 0.070 0.000 1.300 86 G CA -0.225 44.919 45.100 0.074 0.000 0.888 86 G HN 0.433 nan 8.290 nan 0.000 0.541 87 G N -0.946 107.895 108.800 0.068 0.000 2.422 87 G HA2 0.030 3.990 3.960 -0.000 0.000 0.218 87 G HA3 0.030 3.990 3.960 -0.000 0.000 0.218 87 G C 1.724 176.632 174.900 0.014 0.000 1.146 87 G CA 2.587 47.706 45.100 0.032 0.000 0.769 87 G HN 0.935 nan 8.290 nan 0.000 0.547 88 T N 0.171 114.738 114.554 0.023 0.000 2.708 88 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 88 T C 2.127 176.838 174.700 0.018 0.000 1.037 88 T CA 1.524 63.643 62.100 0.031 0.000 1.146 88 T CB -0.149 68.749 68.868 0.051 0.000 0.865 88 T HN 0.562 nan 8.240 nan 0.000 0.435 89 E N 0.615 120.825 120.200 0.017 0.000 2.051 89 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 89 E C 2.359 178.958 176.600 -0.002 0.000 0.991 89 E CA 1.310 57.712 56.400 0.004 0.000 0.799 89 E CB -0.098 29.609 29.700 0.012 0.000 0.748 89 E HN 0.313 nan 8.360 nan 0.000 0.449 90 S N 0.907 116.617 115.700 0.017 0.000 2.359 90 S HA -0.155 4.314 4.470 -0.000 0.000 0.224 90 S C 1.703 176.283 174.600 -0.033 0.000 1.035 90 S CA 1.288 59.496 58.200 0.013 0.000 1.018 90 S CB -0.384 62.853 63.200 0.061 0.000 0.876 90 S HN 0.336 nan 8.310 nan 0.000 0.448 91 N N 1.863 120.557 118.700 -0.010 0.000 2.084 91 N HA -0.006 4.734 4.740 -0.000 0.000 0.190 91 N C 1.502 176.956 175.510 -0.093 0.000 1.030 91 N CA 0.817 53.841 53.050 -0.042 0.000 0.849 91 N CB -0.740 37.772 38.487 0.042 0.000 1.012 91 N HN 0.415 nan 8.380 nan 0.000 0.423 92 N N 0.904 119.574 118.700 -0.050 0.000 2.104 92 N HA -0.148 4.591 4.740 -0.000 0.000 0.190 92 N C 1.769 177.251 175.510 -0.048 0.000 1.024 92 N CA 0.631 53.652 53.050 -0.049 0.000 0.853 92 N CB -0.221 38.244 38.487 -0.037 0.000 1.008 92 N HN 0.113 nan 8.380 nan 0.000 0.424 93 L N 1.381 122.568 121.223 -0.060 0.000 1.989 93 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 93 L C 2.351 179.172 176.870 -0.081 0.000 1.071 93 L CA 1.361 56.176 54.840 -0.041 0.000 0.749 93 L CB -0.979 41.053 42.059 -0.046 0.000 0.890 93 L HN -0.045 nan 8.230 nan 0.000 0.431 94 V N -0.394 119.366 119.914 -0.257 0.000 2.332 94 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 94 V C 2.433 178.348 176.094 -0.298 0.000 1.055 94 V CA 2.219 64.222 62.300 -0.496 0.000 1.038 94 V CB -0.249 31.009 31.823 -0.941 0.000 0.651 94 V HN 0.484 nan 8.190 nan 0.000 0.450 95 I N -0.236 120.224 120.570 -0.183 0.000 2.252 95 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 95 I C 2.441 178.566 176.117 0.012 0.000 1.102 95 I CA 2.059 63.304 61.300 -0.092 0.000 1.385 95 I CB -0.607 37.264 38.000 -0.215 0.000 1.064 95 I HN 0.537 nan 8.210 nan 0.000 0.414 96 H N 0.265 119.300 119.070 -0.058 0.000 2.321 96 H HA -0.184 4.372 4.556 -0.000 0.000 0.300 96 H C 2.459 177.809 175.328 0.036 0.000 1.087 96 H CA 2.106 58.153 56.048 -0.002 0.000 1.319 96 H CB -0.044 29.724 29.762 0.009 0.000 1.379 96 H HN 0.134 nan 8.280 nan 0.000 0.501 97 S N -1.248 114.505 115.700 0.088 0.000 2.399 97 S HA -0.164 4.306 4.470 -0.000 0.000 0.231 97 S C 2.059 176.700 174.600 0.067 0.000 1.022 97 S CA 1.684 59.959 58.200 0.125 0.000 0.983 97 S CB -0.563 62.755 63.200 0.196 0.000 0.803 97 S HN 0.646 nan 8.310 nan 0.000 0.480 98 T N 1.415 115.988 114.554 0.032 0.000 2.737 98 T HA -0.028 4.322 4.350 -0.000 0.000 0.265 98 T C 1.823 176.505 174.700 -0.031 0.000 1.038 98 T CA 1.426 63.549 62.100 0.039 0.000 1.144 98 T CB -0.437 68.470 68.868 0.065 0.000 0.866 98 T HN 0.258 nan 8.240 nan 0.000 0.434 99 V N 1.587 121.480 119.914 -0.035 0.000 2.287 99 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 99 V C 2.636 178.478 176.094 -0.421 0.000 1.053 99 V CA 1.897 64.055 62.300 -0.237 0.000 1.027 99 V CB -0.553 31.143 31.823 -0.213 0.000 0.646 99 V HN 0.274 nan 8.190 nan 0.000 0.447 100 R N 0.052 120.322 120.500 -0.383 0.000 2.083 100 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 100 R C 2.365 178.380 176.300 -0.474 0.000 1.137 100 R CA 2.352 58.187 56.100 -0.442 0.000 0.951 100 R CB -1.547 28.409 30.300 -0.574 0.000 0.851 100 R HN 0.587 nan 8.270 nan 0.000 0.434 101 C N -0.233 118.847 119.300 -0.366 0.000 2.413 101 C HA -0.125 4.335 4.460 -0.000 0.000 0.276 101 C C 2.483 177.494 174.990 0.035 0.000 1.248 101 C CA 0.933 59.906 59.018 -0.075 0.000 1.742 101 C CB -1.552 26.349 27.740 0.267 0.000 2.017 101 C HN 0.629 nan 8.230 nan 0.000 0.481 102 F N 0.893 120.763 119.950 -0.133 0.000 2.075 102 F HA -0.083 4.444 4.527 0.000 0.000 0.297 102 F C 2.421 178.225 175.800 0.005 0.000 1.113 102 F CA 2.423 60.374 58.000 -0.082 0.000 1.218 102 F CB -0.956 37.956 39.000 -0.147 0.000 0.984 102 F HN 0.430 nan 8.300 nan 0.000 0.472 103 H N -0.665 118.479 119.070 0.124 0.000 2.319 103 H HA -0.186 4.370 4.556 -0.000 0.000 0.297 103 H C 2.154 177.431 175.328 -0.084 0.000 1.097 103 H CA 1.189 57.239 56.048 0.004 0.000 1.285 103 H CB -0.093 29.668 29.762 -0.003 0.000 1.368 103 H HN 0.263 nan 8.280 nan 0.000 0.495 104 E N 0.717 120.923 120.200 0.010 0.000 2.077 104 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 104 E C 2.235 178.832 176.600 -0.005 0.000 0.989 104 E CA 0.809 57.206 56.400 -0.006 0.000 0.800 104 E CB -0.247 29.455 29.700 0.004 0.000 0.746 104 E HN 0.581 nan 8.360 nan 0.000 0.452 105 Q N 0.243 120.023 119.800 -0.033 0.000 2.084 105 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 105 Q C 2.139 178.061 176.000 -0.131 0.000 0.978 105 Q CA 1.187 56.949 55.803 -0.070 0.000 0.844 105 Q CB 0.205 28.881 28.738 -0.102 0.000 0.898 105 Q HN 0.166 nan 8.270 nan 0.000 0.426 106 Q N -0.171 119.507 119.800 -0.203 0.000 1.948 106 Q HA -0.154 4.186 4.340 -0.000 0.000 0.205 106 Q C 2.229 178.171 176.000 -0.097 0.000 0.992 106 Q CA 2.070 57.758 55.803 -0.192 0.000 0.849 106 Q CB -1.073 27.557 28.738 -0.181 0.000 0.918 106 Q HN 0.388 nan 8.270 nan 0.000 0.421 107 T N 2.521 117.036 114.554 -0.065 0.000 2.653 107 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 107 T C 1.802 176.483 174.700 -0.031 0.000 1.037 107 T CA 1.198 63.274 62.100 -0.040 0.000 1.159 107 T CB -0.297 68.557 68.868 -0.023 0.000 0.859 107 T HN 0.199 nan 8.240 nan 0.000 0.449 108 L N 0.389 121.596 121.223 -0.026 0.000 2.551 108 L HA 0.083 4.423 4.340 -0.000 0.000 0.228 108 L C 1.548 178.402 176.870 -0.025 0.000 1.153 108 L CA 0.574 55.405 54.840 -0.015 0.000 0.851 108 L CB -0.420 41.638 42.059 -0.001 0.000 0.959 108 L HN 0.402 nan 8.230 nan 0.000 0.451 123 R N 3.530 124.154 120.500 0.208 0.000 2.428 123 R HA 0.550 4.890 4.340 -0.000 0.000 0.294 123 R C -2.267 173.848 176.300 -0.308 0.000 1.000 123 R CA -1.985 54.160 56.100 0.076 0.000 0.960 123 R CB 0.839 31.172 30.300 0.054 0.000 1.076 123 R HN 0.325 nan 8.270 nan 0.000 0.475 124 P HA -0.068 nan 4.420 nan 0.000 0.270 124 P C -1.173 175.829 177.300 -0.498 0.000 1.223 124 P CA 0.225 62.499 63.100 -1.377 0.000 0.785 124 P CB 0.843 31.782 31.700 -1.267 0.000 0.923 125 H N 1.538 120.285 119.070 -0.539 0.000 2.538 125 H HA 0.441 4.996 4.556 -0.000 0.000 0.353 125 H C -1.378 173.735 175.328 -0.357 0.000 1.109 125 H CA -0.682 55.210 56.048 -0.260 0.000 1.192 125 H CB 0.765 30.427 29.762 -0.167 0.000 1.555 125 H HN 0.218 nan 8.280 nan 0.000 0.518 126 F N 3.851 123.327 119.950 -0.791 0.000 2.492 126 F HA 0.464 4.991 4.527 -0.000 0.000 0.327 126 F C 0.092 175.462 175.800 -0.717 0.000 1.079 126 F CA -0.800 56.848 58.000 -0.586 0.000 0.967 126 F CB 1.799 40.548 39.000 -0.418 0.000 1.169 126 F HN 0.333 nan 8.300 nan 0.000 0.472 127 I N 1.698 122.142 120.570 -0.210 0.000 2.436 127 I HA 0.435 4.605 4.170 -0.000 0.000 0.289 127 I C -0.115 175.948 176.117 -0.090 0.000 1.010 127 I CA -0.126 61.081 61.300 -0.155 0.000 1.098 127 I CB 2.101 40.078 38.000 -0.038 0.000 1.266 127 I HN 0.603 nan 8.210 nan 0.000 0.434 128 T N 4.531 118.996 114.554 -0.147 0.000 2.669 128 T HA 0.608 4.957 4.350 -0.000 0.000 0.283 128 T C -0.948 173.751 174.700 -0.002 0.000 1.019 128 T CA -0.472 61.587 62.100 -0.068 0.000 1.039 128 T CB 1.367 70.173 68.868 -0.103 0.000 1.374 128 T HN 0.788 nan 8.240 nan 0.000 0.523 129 C N 0.214 119.560 119.300 0.075 0.000 2.668 129 C HA 0.788 5.248 4.460 -0.000 0.000 0.355 129 C C 2.069 177.180 174.990 0.201 0.000 1.277 129 C CA 0.318 59.404 59.018 0.114 0.000 1.787 129 C CB 0.465 28.251 27.740 0.077 0.000 2.233 129 C HN 1.004 nan 8.230 nan 0.000 0.495 130 T N -1.076 113.576 114.554 0.164 0.000 3.160 130 T HA -0.015 4.335 4.350 -0.000 0.000 0.257 130 T C 0.826 175.577 174.700 0.085 0.000 1.147 130 T CA 1.168 63.349 62.100 0.134 0.000 1.064 130 T CB -0.750 68.158 68.868 0.066 0.000 0.949 130 T HN 1.672 nan 8.240 nan 0.000 0.526 131 V N -2.529 117.440 119.914 0.092 0.000 3.070 131 V HA 0.407 4.527 4.120 -0.000 0.000 0.345 131 V C 0.115 176.268 176.094 0.099 0.000 1.403 131 V CA -1.001 61.345 62.300 0.077 0.000 1.155 131 V CB -0.145 31.714 31.823 0.060 0.000 1.140 131 V HN 0.132 nan 8.190 nan 0.000 0.505 132 E N 1.459 121.734 120.200 0.124 0.000 2.408 132 E HA 0.118 4.468 4.350 -0.000 0.000 0.259 132 E C 0.086 176.782 176.600 0.160 0.000 1.110 132 E CA -0.022 56.465 56.400 0.144 0.000 0.929 132 E CB 0.555 30.351 29.700 0.160 0.000 0.971 132 E HN 0.625 nan 8.360 nan 0.000 0.438 133 H N 1.721 120.831 119.070 0.067 0.000 2.822 133 H HA -0.067 4.489 4.556 -0.000 0.000 0.373 133 H C 0.370 175.734 175.328 0.060 0.000 1.223 133 H CA 0.166 56.242 56.048 0.046 0.000 1.436 133 H CB 0.845 30.625 29.762 0.029 0.000 1.439 133 H HN 0.377 nan 8.280 nan 0.000 0.618 134 D N 1.388 121.632 120.400 -0.262 0.000 2.149 134 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 134 D C 1.942 178.308 176.300 0.112 0.000 0.990 134 D CA 1.821 55.782 54.000 -0.064 0.000 0.839 134 D CB -0.222 40.481 40.800 -0.162 0.000 0.948 134 D HN 0.574 nan 8.370 nan 0.000 0.460 135 S N -0.608 115.295 115.700 0.339 0.000 2.603 135 S HA 0.000 4.470 4.470 -0.000 0.000 0.229 135 S C 1.634 176.319 174.600 0.141 0.000 0.972 135 S CA 0.135 58.469 58.200 0.224 0.000 0.935 135 S CB 0.140 63.471 63.200 0.218 0.000 0.769 135 S HN 0.138 nan 8.310 nan 0.000 0.536 136 I N 0.907 121.571 120.570 0.156 0.000 3.443 136 I HA 0.229 4.399 4.170 -0.000 0.000 0.277 136 I C 2.598 178.781 176.117 0.111 0.000 1.169 136 I CA 0.270 61.634 61.300 0.108 0.000 1.419 136 I CB -0.699 37.384 38.000 0.139 0.000 1.331 136 I HN 0.316 nan 8.210 nan 0.000 0.458 137 R N 1.474 122.067 120.500 0.156 0.000 2.073 137 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 137 R C 2.304 178.691 176.300 0.145 0.000 1.134 137 R CA 1.479 57.703 56.100 0.208 0.000 0.952 137 R CB -0.186 30.191 30.300 0.128 0.000 0.850 137 R HN 0.224 nan 8.270 nan 0.000 0.433 138 L N 0.300 121.571 121.223 0.079 0.000 2.056 138 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 138 L C -0.739 176.167 176.870 0.059 0.000 1.078 138 L CA 1.025 55.897 54.840 0.053 0.000 0.749 138 L CB -1.093 40.980 42.059 0.024 0.000 0.901 138 L HN 0.241 nan 8.230 nan 0.000 0.433 139 P HA -0.149 nan 4.420 nan 0.000 0.217 139 P C 1.919 179.216 177.300 -0.004 0.000 1.150 139 P CA 1.270 64.372 63.100 0.004 0.000 0.832 139 P CB 0.089 31.763 31.700 -0.043 0.000 0.787 140 L N -0.456 120.741 121.223 -0.043 0.000 2.083 140 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 140 L C 2.379 179.293 176.870 0.073 0.000 1.083 140 L CA 1.522 56.292 54.840 -0.115 0.000 0.752 140 L CB -0.858 41.109 42.059 -0.152 0.000 0.899 140 L HN 0.041 nan 8.230 nan 0.000 0.433 141 E N -0.811 119.504 120.200 0.192 0.000 2.072 141 E HA -0.272 4.078 4.350 -0.000 0.000 0.191 141 E C 2.047 178.710 176.600 0.104 0.000 0.985 141 E CA 1.281 57.779 56.400 0.165 0.000 0.801 141 E CB -0.178 29.567 29.700 0.074 0.000 0.750 141 E HN 0.486 nan 8.360 nan 0.000 0.452 142 H N 1.079 120.153 119.070 0.007 0.000 2.352 142 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 142 H C 1.993 177.316 175.328 -0.009 0.000 1.097 142 H CA 1.490 57.536 56.048 -0.004 0.000 1.311 142 H CB -0.181 29.576 29.762 -0.010 0.000 1.377 142 H HN 0.044 nan 8.280 nan 0.000 0.504 143 L N -0.832 120.370 121.223 -0.035 0.000 2.083 143 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 143 L C 2.490 179.315 176.870 -0.076 0.000 1.083 143 L CA 0.983 55.766 54.840 -0.095 0.000 0.752 143 L CB -0.374 41.605 42.059 -0.133 0.000 0.899 143 L HN 0.215 nan 8.230 nan 0.000 0.433 144 V N -0.157 119.739 119.914 -0.029 0.000 2.270 144 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 144 V C 2.336 178.418 176.094 -0.020 0.000 1.043 144 V CA 1.737 64.041 62.300 0.007 0.000 1.014 144 V CB -0.471 31.396 31.823 0.073 0.000 0.645 144 V HN 0.428 nan 8.190 nan 0.000 0.447 145 E N 0.124 120.298 120.200 -0.043 0.000 2.097 145 E HA -0.265 4.085 4.350 -0.000 0.000 0.196 145 E C 1.665 178.213 176.600 -0.086 0.000 1.000 145 E CA 1.662 58.027 56.400 -0.058 0.000 0.804 145 E CB -0.179 29.482 29.700 -0.064 0.000 0.740 145 E HN 0.568 nan 8.360 nan 0.000 0.454 146 D N -0.183 120.124 120.400 -0.155 0.000 2.349 146 D HA -0.027 4.613 4.640 -0.000 0.000 0.224 146 D C -0.062 176.200 176.300 -0.064 0.000 1.029 146 D CA 0.291 54.206 54.000 -0.140 0.000 0.879 146 D CB 0.177 40.832 40.800 -0.241 0.000 0.906 146 D HN 0.119 nan 8.370 nan 0.000 0.528 147 Q N -1.210 118.566 119.800 -0.040 0.000 2.481 147 Q HA -0.178 4.162 4.340 -0.000 0.000 0.272 147 Q C 0.952 176.963 176.000 0.017 0.000 1.157 147 Q CA 0.080 55.882 55.803 -0.003 0.000 0.935 147 Q CB -1.867 26.874 28.738 0.005 0.000 1.338 147 Q HN 0.209 nan 8.270 nan 0.000 0.494 148 V N -1.635 118.285 119.914 0.010 0.000 2.599 148 V HA 0.201 4.321 4.120 -0.000 0.000 0.245 148 V C 0.932 177.061 176.094 0.060 0.000 1.046 148 V CA 1.626 63.959 62.300 0.056 0.000 1.065 148 V CB 0.377 32.227 31.823 0.045 0.000 0.703 148 V HN 0.548 nan 8.190 nan 0.000 0.464 149 A N -0.885 121.954 122.820 0.031 0.000 2.583 149 A HA 0.723 5.043 4.320 -0.000 0.000 0.289 149 A C -1.033 176.584 177.584 0.055 0.000 1.151 149 A CA -0.647 51.419 52.037 0.048 0.000 0.695 149 A CB 1.469 20.546 19.000 0.128 0.000 1.290 149 A HN 0.221 nan 8.150 nan 0.000 0.419 150 E N -0.439 119.815 120.200 0.089 0.000 2.207 150 E HA 0.640 4.990 4.350 -0.000 0.000 0.270 150 E C -1.526 175.117 176.600 0.070 0.000 0.927 150 E CA -0.761 55.714 56.400 0.125 0.000 0.799 150 E CB 2.325 32.150 29.700 0.208 0.000 1.172 150 E HN 0.398 nan 8.360 nan 0.000 0.404 151 V N 1.558 121.476 119.914 0.006 0.000 2.733 151 V HA 0.279 4.399 4.120 -0.000 0.000 0.306 151 V C -0.605 175.386 176.094 -0.170 0.000 1.084 151 V CA -0.868 61.284 62.300 -0.247 0.000 0.905 151 V CB 2.259 33.831 31.823 -0.418 0.000 1.010 151 V HN 0.676 nan 8.190 nan 0.000 0.424 152 T N 4.753 119.175 114.554 -0.219 0.000 2.756 152 T HA 0.571 4.921 4.350 -0.000 0.000 0.290 152 T C -0.586 174.008 174.700 -0.175 0.000 0.985 152 T CA 0.030 62.119 62.100 -0.019 0.000 0.955 152 T CB 0.255 69.207 68.868 0.141 0.000 0.930 152 T HN 0.342 nan 8.240 nan 0.000 0.451 153 F N 3.013 122.983 119.950 0.033 0.000 2.334 153 F HA 0.312 4.839 4.527 -0.000 0.000 0.365 153 F C 0.550 176.364 175.800 0.024 0.000 1.124 153 F CA -0.866 57.146 58.000 0.020 0.000 1.166 153 F CB 0.372 39.377 39.000 0.009 0.000 1.355 153 F HN 0.228 nan 8.300 nan 0.000 0.532 154 V N 5.745 125.734 119.914 0.125 0.000 2.529 154 V HA 0.053 4.172 4.120 -0.000 0.000 0.292 154 V C -1.910 174.238 176.094 0.090 0.000 1.028 154 V CA -1.366 60.989 62.300 0.092 0.000 1.074 154 V CB 0.295 32.152 31.823 0.058 0.000 0.958 154 V HN 0.423 nan 8.190 nan 0.000 0.481 155 P HA 0.212 nan 4.420 nan 0.000 0.275 155 P C -0.328 176.989 177.300 0.029 0.000 1.228 155 P CA -0.101 63.028 63.100 0.047 0.000 0.786 155 P CB 0.784 32.502 31.700 0.030 0.000 0.927 156 V N -0.040 119.885 119.914 0.019 0.000 3.170 156 V HA 0.393 4.513 4.120 -0.000 0.000 0.309 156 V C 0.544 176.624 176.094 -0.022 0.000 1.071 156 V CA -0.652 61.649 62.300 0.002 0.000 1.063 156 V CB 0.925 32.749 31.823 0.002 0.000 1.123 156 V HN 0.492 nan 8.190 nan 0.000 0.464 157 S N 1.241 116.915 115.700 -0.042 0.000 2.546 157 S HA 0.303 4.773 4.470 -0.000 0.000 0.290 157 S C 1.263 175.809 174.600 -0.091 0.000 1.290 157 S CA 0.298 58.457 58.200 -0.068 0.000 1.069 157 S CB 0.475 63.620 63.200 -0.092 0.000 0.846 157 S HN 1.373 nan 8.310 nan 0.000 0.495 158 K N 4.054 124.407 120.400 -0.077 0.000 2.504 158 K HA 0.100 4.420 4.320 -0.000 0.000 0.195 158 K C 1.671 178.192 176.600 -0.131 0.000 1.036 158 K CA 1.375 57.613 56.287 -0.082 0.000 0.984 158 K CB -0.746 31.722 32.500 -0.054 0.000 0.788 158 K HN 0.610 nan 8.250 nan 0.000 0.488 159 V N 2.268 122.086 119.914 -0.161 0.000 2.231 159 V HA -0.216 3.904 4.120 -0.000 0.000 0.240 159 V C 2.027 177.809 176.094 -0.521 0.000 1.039 159 V CA 2.205 64.362 62.300 -0.239 0.000 0.998 159 V CB -0.291 31.418 31.823 -0.190 0.000 0.639 159 V HN 0.901 nan 8.190 nan 0.000 0.451 160 N N -0.439 117.907 118.700 -0.591 0.000 2.294 160 N HA 0.270 5.010 4.740 -0.000 0.000 0.186 160 N C 1.180 176.410 175.510 -0.466 0.000 1.107 160 N CA 0.945 53.392 53.050 -1.004 0.000 0.884 160 N CB 0.882 39.042 38.487 -0.545 0.000 1.030 160 N HN 0.533 nan 8.380 nan 0.000 0.482 161 G N -0.426 108.230 108.800 -0.240 0.000 2.144 161 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 161 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 161 G C -0.709 174.172 174.900 -0.033 0.000 0.988 161 G CA -0.063 44.983 45.100 -0.091 0.000 0.659 161 G HN 0.460 nan 8.290 nan 0.000 0.522 162 Q N -0.288 119.485 119.800 -0.044 0.000 2.274 162 Q HA 0.682 5.022 4.340 -0.000 0.000 0.260 162 Q C -0.015 175.980 176.000 -0.007 0.000 0.974 162 Q CA -0.867 54.931 55.803 -0.008 0.000 0.876 162 Q CB 3.068 31.805 28.738 -0.002 0.000 1.297 162 Q HN 0.279 nan 8.270 nan 0.000 0.446 163 V N 1.844 121.763 119.914 0.009 0.000 2.732 163 V HA 0.093 4.213 4.120 -0.000 0.000 0.297 163 V C -0.391 175.708 176.094 0.009 0.000 1.060 163 V CA 0.041 62.348 62.300 0.012 0.000 1.038 163 V CB 1.213 33.051 31.823 0.025 0.000 1.003 163 V HN 0.731 nan 8.190 nan 0.000 0.481 164 E N 3.830 124.034 120.200 0.007 0.000 2.204 164 E HA 0.272 4.622 4.350 -0.000 0.000 0.276 164 E C 0.753 177.360 176.600 0.011 0.000 0.974 164 E CA -0.661 55.743 56.400 0.006 0.000 0.815 164 E CB 2.013 31.713 29.700 0.001 0.000 1.119 164 E HN 0.535 nan 8.360 nan 0.000 0.393 165 V N 2.595 122.515 119.914 0.011 0.000 2.278 165 V HA -0.298 3.822 4.120 -0.000 0.000 0.251 165 V C 1.912 178.014 176.094 0.013 0.000 1.062 165 V CA 1.763 64.070 62.300 0.013 0.000 1.038 165 V CB -0.432 31.398 31.823 0.011 0.000 0.646 165 V HN 0.661 nan 8.190 nan 0.000 0.447 166 E N -0.056 120.150 120.200 0.011 0.000 2.150 166 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 166 E C 1.951 178.559 176.600 0.014 0.000 0.985 166 E CA 1.204 57.611 56.400 0.011 0.000 0.814 166 E CB -0.350 29.354 29.700 0.008 0.000 0.752 166 E HN 0.661 nan 8.360 nan 0.000 0.466 167 D N 0.440 120.849 120.400 0.015 0.000 2.149 167 D HA -0.078 4.561 4.640 -0.000 0.000 0.201 167 D C 2.005 178.321 176.300 0.026 0.000 0.972 167 D CA 0.345 54.357 54.000 0.020 0.000 0.835 167 D CB 0.005 40.817 40.800 0.020 0.000 0.966 167 D HN 0.130 nan 8.370 nan 0.000 0.476 168 I N 1.089 121.674 120.570 0.026 0.000 2.142 168 I HA -0.194 3.976 4.170 -0.000 0.000 0.240 168 I C 2.436 178.572 176.117 0.031 0.000 1.078 168 I CA 0.731 62.049 61.300 0.030 0.000 1.343 168 I CB -0.937 37.080 38.000 0.027 0.000 1.046 168 I HN 0.065 nan 8.210 nan 0.000 0.405 169 L N 0.875 122.112 121.223 0.024 0.000 2.042 169 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 169 L C 2.723 179.605 176.870 0.020 0.000 1.076 169 L CA 2.034 56.887 54.840 0.022 0.000 0.749 169 L CB -1.569 40.500 42.059 0.016 0.000 0.893 169 L HN 0.233 nan 8.230 nan 0.000 0.432 170 A N -0.436 122.396 122.820 0.019 0.000 2.067 170 A HA -0.017 4.302 4.320 -0.000 0.000 0.219 170 A C 2.332 179.927 177.584 0.019 0.000 1.158 170 A CA 1.296 53.342 52.037 0.015 0.000 0.661 170 A CB -0.397 18.611 19.000 0.013 0.000 0.801 170 A HN 0.390 nan 8.150 nan 0.000 0.452 171 A N -0.549 122.291 122.820 0.034 0.000 2.206 171 A HA 0.369 4.688 4.320 -0.000 0.000 0.211 171 A C 0.898 178.520 177.584 0.063 0.000 1.158 171 A CA 0.163 52.233 52.037 0.055 0.000 0.761 171 A CB -0.509 18.540 19.000 0.082 0.000 0.801 171 A HN 0.230 nan 8.150 nan 0.000 0.473 172 V N 1.316 121.254 119.914 0.041 0.000 2.673 172 V HA 0.099 4.219 4.120 -0.000 0.000 0.303 172 V C 0.704 176.775 176.094 -0.037 0.000 1.046 172 V CA 0.495 62.814 62.300 0.033 0.000 1.126 172 V CB 0.279 32.119 31.823 0.027 0.000 0.934 172 V HN 0.594 nan 8.190 nan 0.000 0.487 173 R N 4.210 124.660 120.500 -0.083 0.000 2.939 173 R HA 0.397 4.737 4.340 -0.000 0.000 0.254 173 R C -1.957 174.306 176.300 -0.061 0.000 1.123 173 R CA -1.770 54.238 56.100 -0.153 0.000 1.020 173 R CB 0.641 30.709 30.300 -0.387 0.000 1.206 173 R HN 0.303 nan 8.270 nan 0.000 0.491 174 P HA -0.131 nan 4.420 nan 0.000 0.218 174 P C 0.812 178.147 177.300 0.059 0.000 1.149 174 P CA 1.420 64.526 63.100 0.011 0.000 0.817 174 P CB 0.183 31.891 31.700 0.013 0.000 0.785 175 T N -6.120 108.468 114.554 0.057 0.000 3.163 175 T HA 0.117 4.467 4.350 -0.000 0.000 0.252 175 T C 0.572 175.291 174.700 0.031 0.000 1.056 175 T CA -0.187 61.992 62.100 0.133 0.000 0.947 175 T CB -1.170 67.770 68.868 0.119 0.000 1.016 175 T HN -0.129 nan 8.240 nan 0.000 0.554 176 T N 2.636 117.220 114.554 0.050 0.000 2.829 176 T HA 0.178 4.528 4.350 -0.000 0.000 0.293 176 T C 1.401 176.066 174.700 -0.058 0.000 0.970 176 T CA 0.010 62.148 62.100 0.063 0.000 1.168 176 T CB 0.046 69.008 68.868 0.157 0.000 0.911 176 T HN 0.768 nan 8.240 nan 0.000 0.535 177 C N 3.194 122.346 119.300 -0.248 0.000 3.392 177 C HA 0.729 5.189 4.460 -0.000 0.000 0.301 177 C C -0.044 174.820 174.990 -0.209 0.000 1.354 177 C CA -0.779 58.134 59.018 -0.175 0.000 1.732 177 C CB -1.194 26.475 27.740 -0.118 0.000 2.269 177 C HN 0.668 nan 8.230 nan 0.000 0.673 178 L N 0.685 121.702 121.223 -0.343 0.000 2.482 178 L HA 0.799 5.139 4.340 -0.000 0.000 0.263 178 L C -1.484 175.339 176.870 -0.077 0.000 0.957 178 L CA -0.365 54.373 54.840 -0.170 0.000 0.836 178 L CB 2.160 44.111 42.059 -0.182 0.000 1.324 178 L HN -0.000 nan 8.230 nan 0.000 0.406 179 V N 3.042 122.978 119.914 0.037 0.000 2.378 179 V HA 0.601 4.721 4.120 -0.000 0.000 0.288 179 V C -0.251 175.914 176.094 0.118 0.000 1.016 179 V CA -0.349 61.983 62.300 0.053 0.000 0.840 179 V CB 1.646 33.498 31.823 0.049 0.000 0.994 179 V HN 0.819 nan 8.190 nan 0.000 0.431 180 T N 6.673 121.302 114.554 0.125 0.000 2.809 180 T HA 0.798 5.147 4.350 -0.000 0.000 0.284 180 T C -1.006 173.750 174.700 0.092 0.000 0.992 180 T CA -0.198 62.010 62.100 0.180 0.000 0.957 180 T CB 0.416 69.451 68.868 0.278 0.000 0.942 180 T HN 0.442 nan 8.240 nan 0.000 0.439 181 I N 6.071 126.666 120.570 0.041 0.000 2.586 181 I HA 0.342 4.512 4.170 -0.000 0.000 0.288 181 I C 0.375 176.480 176.117 -0.020 0.000 1.147 181 I CA -0.920 60.393 61.300 0.022 0.000 1.047 181 I CB 2.245 40.259 38.000 0.024 0.000 1.244 181 I HN 0.709 nan 8.210 nan 0.000 0.429 182 M N 4.755 124.355 119.600 0.001 0.000 2.252 182 M HA 0.087 4.566 4.480 -0.000 0.000 0.329 182 M C 0.423 176.713 176.300 -0.017 0.000 1.101 182 M CA 0.213 55.504 55.300 -0.015 0.000 1.117 182 M CB 0.769 33.387 32.600 0.030 0.000 1.563 182 M HN 0.651 nan 8.290 nan 0.000 0.445 183 L N 3.371 124.576 121.223 -0.032 0.000 2.093 183 L HA 0.273 4.612 4.340 -0.000 0.000 0.208 183 L C 0.566 177.438 176.870 0.004 0.000 1.085 183 L CA 1.934 56.761 54.840 -0.021 0.000 0.755 183 L CB -0.544 41.495 42.059 -0.033 0.000 0.904 183 L HN 0.930 nan 8.230 nan 0.000 0.435 184 A N -0.272 122.556 122.820 0.015 0.000 2.459 184 A HA 0.343 4.663 4.320 -0.000 0.000 0.296 184 A C -0.610 177.000 177.584 0.044 0.000 1.039 184 A CA -0.660 51.397 52.037 0.033 0.000 0.698 184 A CB 0.430 19.451 19.000 0.034 0.000 1.261 184 A HN 0.241 nan 8.150 nan 0.000 0.405 185 N N 2.027 120.761 118.700 0.056 0.000 2.513 185 N HA -0.045 4.694 4.740 -0.000 0.000 0.268 185 N C 0.497 176.049 175.510 0.069 0.000 1.180 185 N CA 0.106 53.196 53.050 0.066 0.000 0.948 185 N CB 0.705 39.234 38.487 0.070 0.000 1.083 185 N HN 0.778 nan 8.380 nan 0.000 0.455 186 N N 3.621 122.366 118.700 0.076 0.000 2.446 186 N HA -0.103 4.637 4.740 -0.000 0.000 0.179 186 N C 0.465 176.015 175.510 0.066 0.000 1.054 186 N CA 0.883 53.977 53.050 0.072 0.000 0.905 186 N CB 0.015 38.554 38.487 0.087 0.000 0.973 186 N HN 0.646 nan 8.380 nan 0.000 0.448 187 E N 0.431 120.672 120.200 0.067 0.000 2.086 187 E HA -0.062 4.288 4.350 -0.000 0.000 0.190 187 E C 1.441 178.077 176.600 0.060 0.000 0.975 187 E CA 1.710 58.145 56.400 0.058 0.000 0.813 187 E CB -0.044 29.691 29.700 0.059 0.000 0.768 187 E HN 0.605 nan 8.360 nan 0.000 0.457 188 T N -3.358 111.242 114.554 0.077 0.000 2.990 188 T HA 0.310 4.660 4.350 -0.000 0.000 0.250 188 T C 1.572 176.329 174.700 0.095 0.000 1.041 188 T CA 0.702 62.860 62.100 0.096 0.000 1.010 188 T CB 0.860 69.811 68.868 0.138 0.000 1.003 188 T HN 0.279 nan 8.240 nan 0.000 0.499 189 G N 1.065 109.916 108.800 0.085 0.000 2.176 189 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.253 189 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.253 189 G C 0.147 175.097 174.900 0.083 0.000 0.979 189 G CA 0.016 45.162 45.100 0.078 0.000 0.641 189 G HN 0.734 nan 8.290 nan 0.000 0.530 190 V N 2.724 122.700 119.914 0.103 0.000 2.673 190 V HA 0.191 4.311 4.120 -0.000 0.000 0.303 190 V C 1.196 177.333 176.094 0.073 0.000 1.046 190 V CA -0.065 62.300 62.300 0.108 0.000 1.126 190 V CB 0.867 32.770 31.823 0.132 0.000 0.934 190 V HN 0.275 nan 8.190 nan 0.000 0.487 191 I N 6.176 126.784 120.570 0.063 0.000 2.395 191 I HA 0.281 4.450 4.170 -0.000 0.000 0.289 191 I C 0.332 176.470 176.117 0.035 0.000 1.023 191 I CA -0.364 60.961 61.300 0.042 0.000 1.350 191 I CB 1.259 39.279 38.000 0.034 0.000 1.409 191 I HN 0.476 nan 8.210 nan 0.000 0.507 192 M N 8.227 127.842 119.600 0.025 0.000 2.274 192 M HA 0.288 4.768 4.480 -0.000 0.000 0.344 192 M C -1.878 174.430 176.300 0.013 0.000 1.161 192 M CA -2.643 52.669 55.300 0.020 0.000 1.126 192 M CB 0.280 32.891 32.600 0.018 0.000 1.522 192 M HN 0.219 nan 8.290 nan 0.000 0.461 193 P HA 0.048 nan 4.420 nan 0.000 0.232 193 P C 0.847 178.151 177.300 0.006 0.000 1.738 193 P CA 0.005 63.111 63.100 0.010 0.000 0.948 193 P CB -0.417 31.289 31.700 0.011 0.000 1.943 194 I N 0.100 120.671 120.570 0.001 0.000 2.151 194 I HA -0.229 3.940 4.170 -0.000 0.000 0.243 194 I C 2.328 178.445 176.117 -0.001 0.000 1.080 194 I CA 1.394 62.693 61.300 -0.002 0.000 1.339 194 I CB -1.943 36.049 38.000 -0.014 0.000 1.039 194 I HN 0.123 nan 8.210 nan 0.000 0.409 195 S N 0.311 116.008 115.700 -0.005 0.000 2.359 195 S HA -0.260 4.210 4.470 -0.000 0.000 0.223 195 S C 1.966 176.566 174.600 0.001 0.000 1.039 195 S CA 1.929 60.126 58.200 -0.005 0.000 1.042 195 S CB -0.227 62.968 63.200 -0.008 0.000 0.915 195 S HN 0.423 nan 8.310 nan 0.000 0.439 196 E N 1.119 121.321 120.200 0.003 0.000 2.072 196 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 196 E C 1.841 178.446 176.600 0.009 0.000 0.985 196 E CA 0.925 57.329 56.400 0.006 0.000 0.801 196 E CB -0.401 29.303 29.700 0.007 0.000 0.750 196 E HN 0.537 nan 8.360 nan 0.000 0.452 197 I N -0.010 120.567 120.570 0.011 0.000 2.127 197 I HA -0.320 3.850 4.170 -0.000 0.000 0.241 197 I C 2.292 178.420 176.117 0.018 0.000 1.075 197 I CA 1.359 62.668 61.300 0.016 0.000 1.334 197 I CB -0.343 37.668 38.000 0.020 0.000 1.040 197 I HN 0.055 nan 8.210 nan 0.000 0.405 198 S N 0.046 115.756 115.700 0.017 0.000 2.370 198 S HA -0.223 4.246 4.470 -0.000 0.000 0.226 198 S C 2.072 176.680 174.600 0.013 0.000 1.033 198 S CA 1.315 59.526 58.200 0.018 0.000 1.011 198 S CB -0.340 62.869 63.200 0.015 0.000 0.852 198 S HN 0.330 nan 8.310 nan 0.000 0.457 199 R N 0.817 121.322 120.500 0.008 0.000 2.070 199 R HA -0.016 4.324 4.340 -0.000 0.000 0.233 199 R C 2.506 178.811 176.300 0.008 0.000 1.137 199 R CA 1.124 57.228 56.100 0.006 0.000 0.945 199 R CB -0.069 30.233 30.300 0.004 0.000 0.845 199 R HN 0.202 nan 8.270 nan 0.000 0.430 200 R N 0.299 120.805 120.500 0.009 0.000 2.096 200 R HA -0.087 4.252 4.340 -0.000 0.000 0.235 200 R C 2.171 178.478 176.300 0.012 0.000 1.127 200 R CA 0.945 57.051 56.100 0.010 0.000 0.968 200 R CB -0.460 29.846 30.300 0.011 0.000 0.861 200 R HN 0.308 nan 8.270 nan 0.000 0.440 201 I N 1.183 121.763 120.570 0.016 0.000 2.439 201 I HA -0.191 3.979 4.170 -0.000 0.000 0.251 201 I C 2.408 178.534 176.117 0.014 0.000 1.139 201 I CA 0.969 62.280 61.300 0.018 0.000 1.438 201 I CB -0.775 37.239 38.000 0.025 0.000 1.085 201 I HN 0.171 nan 8.210 nan 0.000 0.427 202 K N 1.380 121.787 120.400 0.011 0.000 2.032 202 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 202 K C 2.227 178.830 176.600 0.006 0.000 1.048 202 K CA 1.727 58.019 56.287 0.007 0.000 0.927 202 K CB 0.016 32.519 32.500 0.005 0.000 0.712 202 K HN 0.217 nan 8.250 nan 0.000 0.441 203 A N 1.321 124.145 122.820 0.006 0.000 1.858 203 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 203 A C 2.084 179.672 177.584 0.006 0.000 1.190 203 A CA 1.502 53.542 52.037 0.005 0.000 0.617 203 A CB -0.787 18.216 19.000 0.005 0.000 0.827 203 A HN 0.397 nan 8.150 nan 0.000 0.443 204 L N 0.621 121.849 121.223 0.008 0.000 2.042 204 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 204 L C 1.824 178.699 176.870 0.010 0.000 1.076 204 L CA 2.324 57.170 54.840 0.009 0.000 0.749 204 L CB -0.860 41.206 42.059 0.012 0.000 0.893 204 L HN 0.359 nan 8.230 nan 0.000 0.432 205 N N -0.515 118.191 118.700 0.010 0.000 2.272 205 N HA -0.192 4.547 4.740 -0.000 0.000 0.185 205 N C 1.750 177.264 175.510 0.007 0.000 1.014 205 N CA 1.090 54.146 53.050 0.010 0.000 0.870 205 N CB -0.224 38.269 38.487 0.010 0.000 0.975 205 N HN 0.517 nan 8.380 nan 0.000 0.433 206 Q N 0.409 120.212 119.800 0.005 0.000 2.119 206 Q HA 0.056 4.395 4.340 -0.000 0.000 0.201 206 Q C 2.280 178.282 176.000 0.003 0.000 0.972 206 Q CA 0.576 56.380 55.803 0.003 0.000 0.847 206 Q CB -0.133 28.606 28.738 0.002 0.000 0.903 206 Q HN 0.486 nan 8.270 nan 0.000 0.433 207 I N 0.262 120.834 120.570 0.004 0.000 2.252 207 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 207 I C 2.420 178.540 176.117 0.005 0.000 1.102 207 I CA 0.933 62.236 61.300 0.004 0.000 1.385 207 I CB -0.160 37.843 38.000 0.004 0.000 1.064 207 I HN 0.111 nan 8.210 nan 0.000 0.414 208 R N 0.799 121.304 120.500 0.007 0.000 2.096 208 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 208 R C 2.457 178.762 176.300 0.007 0.000 1.127 208 R CA 1.430 57.535 56.100 0.009 0.000 0.968 208 R CB -0.512 29.797 30.300 0.014 0.000 0.861 208 R HN 0.357 nan 8.270 nan 0.000 0.440 209 A N 1.394 124.218 122.820 0.006 0.000 1.940 209 A HA -0.150 4.169 4.320 -0.000 0.000 0.219 209 A C 2.391 179.976 177.584 0.002 0.000 1.176 209 A CA 1.719 53.758 52.037 0.003 0.000 0.631 209 A CB -0.652 18.349 19.000 0.002 0.000 0.814 209 A HN 0.406 nan 8.150 nan 0.000 0.446 210 A N -0.638 122.183 122.820 0.002 0.000 1.940 210 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 210 A C 2.319 179.903 177.584 0.000 0.000 1.176 210 A CA 2.105 54.142 52.037 0.001 0.000 0.631 210 A CB -0.658 18.343 19.000 0.001 0.000 0.814 210 A HN 0.469 nan 8.150 nan 0.000 0.446 211 S N -2.136 113.565 115.700 0.001 0.000 2.528 211 S HA 0.359 4.828 4.470 -0.000 0.000 0.219 211 S C 1.409 176.009 174.600 -0.000 0.000 0.985 211 S CA 0.860 59.061 58.200 0.001 0.000 0.914 211 S CB 0.263 63.464 63.200 0.002 0.000 0.776 211 S HN 1.658 nan 8.310 nan 0.000 0.526 212 G N 1.187 109.987 108.800 -0.000 0.000 2.157 212 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.239 212 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.239 212 G C 0.006 174.905 174.900 -0.002 0.000 0.982 212 G CA -0.277 44.821 45.100 -0.004 0.000 0.650 212 G HN 0.418 nan 8.290 nan 0.000 0.527 213 L N 2.262 123.489 121.223 0.006 0.000 2.452 213 L HA 0.373 4.713 4.340 -0.000 0.000 0.267 213 L C -0.765 176.119 176.870 0.023 0.000 1.188 213 L CA -1.720 53.130 54.840 0.018 0.000 0.821 213 L CB 0.283 42.357 42.059 0.024 0.000 1.102 213 L HN 0.055 nan 8.230 nan 0.000 0.470 214 P HA 0.098 nan 4.420 nan 0.000 0.272 214 P C -1.183 176.146 177.300 0.047 0.000 1.240 214 P CA -0.575 62.551 63.100 0.044 0.000 0.791 214 P CB 0.504 32.254 31.700 0.083 0.000 0.978 215 R N 0.120 120.644 120.500 0.039 0.000 2.539 215 R HA 0.442 4.781 4.340 -0.000 0.000 0.275 215 R C -0.577 175.746 176.300 0.039 0.000 1.077 215 R CA -0.880 55.239 56.100 0.032 0.000 1.097 215 R CB -0.034 30.279 30.300 0.021 0.000 1.018 215 R HN 0.147 nan 8.270 nan 0.000 0.483 216 V N 4.549 124.481 119.914 0.030 0.000 2.432 216 V HA 0.239 4.359 4.120 -0.000 0.000 0.275 216 V C 0.514 176.633 176.094 0.041 0.000 1.043 216 V CA -0.549 61.766 62.300 0.026 0.000 0.925 216 V CB 0.953 32.789 31.823 0.023 0.000 0.985 216 V HN 0.566 nan 8.190 nan 0.000 0.466 217 L N 4.816 126.079 121.223 0.068 0.000 2.358 217 L HA 0.715 5.055 4.340 -0.000 0.000 0.268 217 L C -0.580 176.386 176.870 0.160 0.000 1.032 217 L CA -0.906 54.005 54.840 0.118 0.000 0.805 217 L CB 1.933 44.124 42.059 0.220 0.000 1.253 217 L HN 0.314 nan 8.230 nan 0.000 0.452 218 V N 0.071 120.100 119.914 0.191 0.000 2.588 218 V HA 0.390 4.510 4.120 -0.000 0.000 0.304 218 V C -0.588 175.722 176.094 0.360 0.000 1.042 218 V CA -0.623 61.802 62.300 0.209 0.000 0.877 218 V CB 1.620 33.514 31.823 0.118 0.000 0.996 218 V HN 0.707 nan 8.190 nan 0.000 0.425 219 H N 2.628 121.840 119.070 0.236 0.000 2.622 219 H HA 0.643 5.199 4.556 -0.000 0.000 0.363 219 H C -1.408 174.005 175.328 0.141 0.000 1.151 219 H CA -0.285 55.914 56.048 0.251 0.000 1.184 219 H CB 2.463 32.321 29.762 0.159 0.000 1.643 219 H HN 0.654 nan 8.280 nan 0.000 0.531 220 T N 3.055 117.278 114.554 -0.552 0.000 2.881 220 T HA 0.067 4.417 4.350 -0.000 0.000 0.290 220 T C -1.037 173.237 174.700 -0.711 0.000 1.000 220 T CA -0.834 60.941 62.100 -0.541 0.000 0.978 220 T CB 1.042 69.804 68.868 -0.177 0.000 0.997 220 T HN 0.661 nan 8.240 nan 0.000 0.443 221 D N 3.925 124.040 120.400 -0.475 0.000 2.374 221 D HA 0.371 5.011 4.640 -0.000 0.000 0.240 221 D C 0.723 176.966 176.300 -0.095 0.000 1.229 221 D CA -0.375 53.522 54.000 -0.172 0.000 0.895 221 D CB 0.843 41.625 40.800 -0.030 0.000 1.046 221 D HN 0.628 nan 8.370 nan 0.000 0.498 222 A N 3.576 126.357 122.820 -0.065 0.000 2.337 222 A HA 0.387 4.707 4.320 -0.000 0.000 0.227 222 A C 1.990 179.570 177.584 -0.007 0.000 1.259 222 A CA 0.576 52.589 52.037 -0.040 0.000 0.870 222 A CB -0.103 18.867 19.000 -0.049 0.000 0.927 222 A HN 0.598 nan 8.150 nan 0.000 0.497 223 A N -0.042 122.779 122.820 0.001 0.000 1.909 223 A HA -0.281 4.039 4.320 -0.000 0.000 0.221 223 A C 1.957 179.560 177.584 0.032 0.000 1.223 223 A CA 1.959 54.006 52.037 0.016 0.000 0.658 223 A CB -0.402 18.570 19.000 -0.047 0.000 0.831 223 A HN 0.480 nan 8.150 nan 0.000 0.462 224 Q N -1.385 118.427 119.800 0.020 0.000 2.451 224 Q HA 0.199 4.539 4.340 -0.000 0.000 0.206 224 Q C 2.024 178.050 176.000 0.043 0.000 0.947 224 Q CA 0.962 56.787 55.803 0.037 0.000 0.937 224 Q CB -0.159 28.603 28.738 0.039 0.000 1.025 224 Q HN 0.725 nan 8.270 nan 0.000 0.511 225 A N 0.123 122.955 122.820 0.021 0.000 1.997 225 A HA 0.142 4.462 4.320 -0.000 0.000 0.212 225 A C 1.016 178.594 177.584 -0.011 0.000 1.178 225 A CA -0.121 51.920 52.037 0.007 0.000 0.698 225 A CB -0.043 18.949 19.000 -0.014 0.000 0.842 225 A HN 0.251 nan 8.150 nan 0.000 0.458 226 L N 0.169 121.363 121.223 -0.048 0.000 2.559 226 L HA 0.336 4.676 4.340 -0.000 0.000 0.274 226 L C 1.539 178.367 176.870 -0.071 0.000 1.205 226 L CA 0.959 55.700 54.840 -0.166 0.000 0.907 226 L CB 0.095 41.907 42.059 -0.412 0.000 1.153 226 L HN 0.595 nan 8.230 nan 0.000 0.490 227 G N 2.370 111.141 108.800 -0.049 0.000 2.176 227 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.253 227 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.253 227 G C 0.874 175.871 174.900 0.162 0.000 0.979 227 G CA 0.460 45.632 45.100 0.120 0.000 0.641 227 G HN 0.689 nan 8.290 nan 0.000 0.530 228 K N -0.886 119.571 120.400 0.094 0.000 2.464 228 K HA 0.274 4.593 4.320 -0.000 0.000 0.206 228 K C 0.813 177.451 176.600 0.064 0.000 1.186 228 K CA 0.187 56.532 56.287 0.097 0.000 0.990 228 K CB 1.242 33.793 32.500 0.085 0.000 1.003 228 K HN 0.396 nan 8.250 nan 0.000 0.562 229 R N 1.189 121.709 120.500 0.032 0.000 2.629 229 R HA 0.221 4.561 4.340 -0.000 0.000 0.266 229 R C -1.599 174.692 176.300 -0.016 0.000 1.051 229 R CA -0.739 55.368 56.100 0.011 0.000 0.895 229 R CB 1.597 31.904 30.300 0.011 0.000 1.246 229 R HN -0.073 nan 8.270 nan 0.000 0.459 230 R N 2.883 123.368 120.500 -0.025 0.000 2.484 230 R HA 0.147 4.487 4.340 -0.000 0.000 0.293 230 R C -1.158 175.107 176.300 -0.058 0.000 1.023 230 R CA 0.148 56.221 56.100 -0.045 0.000 1.037 230 R CB 0.585 30.859 30.300 -0.043 0.000 0.951 230 R HN 0.316 nan 8.270 nan 0.000 0.418 231 V N 5.447 125.312 119.914 -0.081 0.000 2.357 231 V HA 0.208 4.327 4.120 -0.000 0.000 0.284 231 V C -0.310 175.714 176.094 -0.117 0.000 1.018 231 V CA -0.489 61.752 62.300 -0.099 0.000 0.841 231 V CB 1.483 33.234 31.823 -0.119 0.000 0.991 231 V HN 0.782 nan 8.190 nan 0.000 0.437 232 D N 3.691 124.022 120.400 -0.116 0.000 2.620 232 D HA 0.222 4.862 4.640 -0.000 0.000 0.252 232 D C 0.822 177.028 176.300 -0.156 0.000 1.207 232 D CA -0.378 53.545 54.000 -0.128 0.000 0.884 232 D CB 2.555 43.301 40.800 -0.089 0.000 1.262 232 D HN 0.363 nan 8.370 nan 0.000 0.552 233 V N 1.977 121.745 119.914 -0.244 0.000 2.594 233 V HA -0.114 4.005 4.120 -0.000 0.000 0.253 233 V C 1.682 177.688 176.094 -0.148 0.000 1.069 233 V CA 1.089 63.212 62.300 -0.295 0.000 1.082 233 V CB -0.303 31.127 31.823 -0.654 0.000 0.680 233 V HN 0.377 nan 8.190 nan 0.000 0.469 234 E N 1.128 121.265 120.200 -0.105 0.000 2.046 234 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 234 E C 1.965 178.536 176.600 -0.048 0.000 0.982 234 E CA 1.780 58.147 56.400 -0.055 0.000 0.800 234 E CB -0.455 29.220 29.700 -0.042 0.000 0.756 234 E HN 0.869 nan 8.360 nan 0.000 0.449 235 D N 0.590 120.957 120.400 -0.056 0.000 2.097 235 D HA -0.129 4.511 4.640 -0.000 0.000 0.195 235 D C 2.058 178.334 176.300 -0.041 0.000 0.989 235 D CA 0.970 54.944 54.000 -0.043 0.000 0.827 235 D CB -0.078 40.695 40.800 -0.045 0.000 0.966 235 D HN 0.053 nan 8.370 nan 0.000 0.456 236 L N -0.601 120.587 121.223 -0.058 0.000 2.201 236 L HA 0.088 4.428 4.340 -0.000 0.000 0.212 236 L C 2.101 178.956 176.870 -0.026 0.000 1.105 236 L CA 0.818 55.630 54.840 -0.047 0.000 0.775 236 L CB -0.662 41.355 42.059 -0.070 0.000 0.913 236 L HN 0.438 nan 8.230 nan 0.000 0.440 237 G N 0.335 109.120 108.800 -0.026 0.000 2.175 237 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.265 237 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.265 237 G C 0.475 175.388 174.900 0.022 0.000 0.979 237 G CA 0.428 45.527 45.100 -0.002 0.000 0.663 237 G HN 0.320 nan 8.290 nan 0.000 0.533 238 V N -2.828 117.106 119.914 0.033 0.000 3.003 238 V HA 0.565 4.685 4.120 -0.000 0.000 0.305 238 V C 1.070 177.245 176.094 0.134 0.000 1.078 238 V CA 0.384 62.737 62.300 0.087 0.000 1.083 238 V CB 1.295 33.180 31.823 0.103 0.000 1.039 238 V HN 0.089 nan 8.190 nan 0.000 0.481 239 D N 0.785 121.232 120.400 0.079 0.000 2.327 239 D HA 0.211 4.851 4.640 -0.000 0.000 0.205 239 D C -0.143 175.943 176.300 -0.356 0.000 0.989 239 D CA 1.200 55.086 54.000 -0.190 0.000 0.873 239 D CB 0.392 40.961 40.800 -0.385 0.000 0.955 239 D HN 0.564 nan 8.370 nan 0.000 0.515 240 F N 0.104 120.196 119.950 0.237 0.000 2.613 240 F HA 0.513 5.040 4.527 -0.000 0.000 0.310 240 F C -0.579 175.485 175.800 0.439 0.000 1.085 240 F CA -1.076 57.099 58.000 0.293 0.000 0.945 240 F CB 2.496 41.630 39.000 0.222 0.000 1.298 240 F HN -0.357 nan 8.300 nan 0.000 0.455 241 L N 1.342 122.952 121.223 0.645 0.000 2.543 241 L HA 0.555 4.895 4.340 -0.000 0.000 0.265 241 L C -1.131 175.926 176.870 0.311 0.000 0.945 241 L CA -0.094 54.959 54.840 0.355 0.000 0.869 241 L CB 2.112 44.269 42.059 0.162 0.000 1.294 241 L HN 0.632 nan 8.230 nan 0.000 0.405 242 T N 5.738 120.449 114.554 0.261 0.000 2.832 242 T HA 0.547 4.897 4.350 -0.000 0.000 0.296 242 T C -0.145 174.635 174.700 0.133 0.000 0.968 242 T CA 0.152 62.384 62.100 0.220 0.000 1.107 242 T CB 0.548 69.561 68.868 0.241 0.000 0.916 242 T HN 0.344 nan 8.240 nan 0.000 0.517 243 I N 3.216 123.876 120.570 0.149 0.000 2.406 243 I HA 0.409 4.578 4.170 -0.000 0.000 0.290 243 I C -0.684 175.573 176.117 0.233 0.000 0.999 243 I CA -0.983 60.430 61.300 0.188 0.000 1.124 243 I CB 1.934 40.053 38.000 0.198 0.000 1.289 243 I HN 0.269 nan 8.210 nan 0.000 0.441 244 V N 5.665 125.758 119.914 0.298 0.000 2.349 244 V HA 0.280 4.400 4.120 -0.000 0.000 0.284 244 V C 1.146 177.292 176.094 0.087 0.000 1.014 244 V CA -0.452 61.958 62.300 0.184 0.000 0.826 244 V CB 0.952 32.804 31.823 0.048 0.000 1.009 244 V HN 1.013 nan 8.190 nan 0.000 0.431 245 G N 3.483 112.229 108.800 -0.091 0.000 2.599 245 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.219 245 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.219 245 G C 1.137 175.725 174.900 -0.520 0.000 1.193 245 G CA 1.893 46.677 45.100 -0.527 0.000 0.778 245 G HN 1.126 nan 8.290 nan 0.000 0.589 246 H N -0.501 118.414 119.070 -0.258 0.000 2.567 246 H HA 0.274 4.830 4.556 -0.000 0.000 0.276 246 H C 1.826 177.080 175.328 -0.123 0.000 1.016 246 H CA 0.969 56.905 56.048 -0.187 0.000 1.186 246 H CB 0.246 29.941 29.762 -0.112 0.000 1.351 246 H HN 0.192 nan 8.280 nan 0.000 0.605 247 K N 0.809 121.014 120.400 -0.325 0.000 2.379 247 K HA 0.044 4.364 4.320 -0.000 0.000 0.194 247 K C -0.125 176.554 176.600 0.131 0.000 1.031 247 K CA 0.216 56.424 56.287 -0.131 0.000 1.037 247 K CB 0.212 32.679 32.500 -0.054 0.000 0.824 247 K HN 0.630 nan 8.250 nan 0.000 0.516 248 F N -2.539 117.429 119.950 0.029 0.000 2.688 248 F HA 0.321 4.848 4.527 -0.000 0.000 0.376 248 F C -0.665 175.326 175.800 0.319 0.000 1.428 248 F CA -1.332 56.780 58.000 0.188 0.000 1.156 248 F CB -0.441 38.650 39.000 0.152 0.000 1.141 248 F HN -0.052 nan 8.300 nan 0.000 0.521 249 Y N -0.589 119.709 120.300 -0.004 0.000 4.409 249 Y HA -0.235 4.314 4.550 -0.000 0.000 0.228 249 Y C 1.272 177.121 175.900 -0.085 0.000 1.108 249 Y CA 0.357 58.446 58.100 -0.018 0.000 1.955 249 Y CB -1.443 37.016 38.460 -0.000 0.000 1.615 249 Y HN 0.666 nan 8.280 nan 0.000 0.665 250 G N -0.793 107.907 108.800 -0.167 0.000 2.601 250 G HA2 0.698 4.658 3.960 -0.000 0.000 0.317 250 G HA3 0.698 4.658 3.960 -0.000 0.000 0.317 250 G C -2.661 172.149 174.900 -0.150 0.000 1.246 250 G CA -1.675 43.296 45.100 -0.215 0.000 1.012 250 G HN -0.099 nan 8.290 nan 0.000 0.494 251 P HA 0.199 nan 4.420 nan 0.000 0.273 251 P C 0.186 177.454 177.300 -0.054 0.000 1.250 251 P CA -0.536 62.526 63.100 -0.064 0.000 0.793 251 P CB 0.546 32.220 31.700 -0.044 0.000 1.011 252 R N 1.110 121.580 120.500 -0.049 0.000 3.441 252 R HA 0.121 4.461 4.340 -0.000 0.000 0.225 252 R C 0.620 176.913 176.300 -0.011 0.000 1.756 252 R CA 0.280 56.346 56.100 -0.055 0.000 1.504 252 R CB -1.657 28.565 30.300 -0.131 0.000 1.183 252 R HN 0.553 nan 8.270 nan 0.000 0.567 253 I N -4.920 115.659 120.570 0.014 0.000 3.436 253 I HA 0.877 5.047 4.170 -0.000 0.000 0.300 253 I C 0.295 176.466 176.117 0.090 0.000 1.131 253 I CA -1.151 60.179 61.300 0.050 0.000 1.001 253 I CB 2.168 40.198 38.000 0.049 0.000 1.305 253 I HN -0.054 nan 8.210 nan 0.000 0.494 254 G N -0.276 108.607 108.800 0.139 0.000 2.731 254 G HA2 0.854 4.814 3.960 -0.000 0.000 0.309 254 G HA3 0.854 4.814 3.960 -0.000 0.000 0.309 254 G C -1.816 173.213 174.900 0.214 0.000 1.273 254 G CA -0.298 44.905 45.100 0.171 0.000 0.798 254 G HN 1.204 nan 8.290 nan 0.000 0.509 255 A N -1.745 121.177 122.820 0.169 0.000 2.557 255 A HA 0.849 5.169 4.320 -0.000 0.000 0.292 255 A C -2.281 175.354 177.584 0.085 0.000 1.139 255 A CA -0.451 51.648 52.037 0.103 0.000 0.665 255 A CB 1.616 20.631 19.000 0.025 0.000 1.285 255 A HN 1.990 nan 8.150 nan 0.000 0.433 256 L N -0.047 121.199 121.223 0.039 0.000 2.505 256 L HA 0.639 4.979 4.340 -0.000 0.000 0.266 256 L C -1.459 175.458 176.870 0.078 0.000 0.954 256 L CA -0.308 54.584 54.840 0.087 0.000 0.852 256 L CB 1.754 43.848 42.059 0.058 0.000 1.282 256 L HN 0.880 nan 8.230 nan 0.000 0.403 257 Y N 5.297 125.622 120.300 0.041 0.000 2.304 257 Y HA 0.697 5.247 4.550 -0.000 0.000 0.328 257 Y C -1.098 174.834 175.900 0.053 0.000 1.123 257 Y CA -0.304 57.801 58.100 0.009 0.000 1.218 257 Y CB 1.240 39.707 38.460 0.012 0.000 1.207 257 Y HN 0.377 nan 8.280 nan 0.000 0.495 258 V N 7.853 127.310 119.914 -0.762 0.000 2.488 258 V HA 0.323 4.443 4.120 -0.000 0.000 0.293 258 V C -0.317 175.178 176.094 -0.998 0.000 1.027 258 V CA -1.123 60.754 62.300 -0.705 0.000 0.862 258 V CB 1.262 32.845 31.823 -0.399 0.000 1.008 258 V HN 0.808 nan 8.190 nan 0.000 0.428 259 R N 3.551 123.445 120.500 -1.011 0.000 2.458 259 R HA 0.306 4.646 4.340 -0.000 0.000 0.303 259 R C 1.099 177.173 176.300 -0.377 0.000 1.013 259 R CA 1.114 56.846 56.100 -0.613 0.000 1.026 259 R CB 0.246 30.395 30.300 -0.252 0.000 0.948 259 R HN 1.251 nan 8.270 nan 0.000 0.417 260 G N 3.722 112.365 108.800 -0.260 0.000 2.395 260 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.292 260 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.292 260 G C 0.140 174.918 174.900 -0.203 0.000 0.953 260 G CA 0.483 45.478 45.100 -0.174 0.000 1.207 260 G HN 0.612 nan 8.290 nan 0.000 0.503 261 V N 0.379 120.133 119.914 -0.266 0.000 2.694 261 V HA 0.429 4.549 4.120 -0.000 0.000 0.306 261 V C 1.820 177.835 176.094 -0.132 0.000 1.054 261 V CA 2.074 64.195 62.300 -0.298 0.000 1.161 261 V CB 0.757 32.292 31.823 -0.480 0.000 0.916 261 V HN 2.343 nan 8.190 nan 0.000 0.490 262 G N 4.340 113.095 108.800 -0.076 0.000 2.205 262 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.261 262 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.261 262 G C 0.951 175.846 174.900 -0.009 0.000 0.980 262 G CA 0.847 45.969 45.100 0.037 0.000 0.632 262 G HN 0.864 nan 8.290 nan 0.000 0.533 263 K N -0.988 119.384 120.400 -0.046 0.000 2.494 263 K HA 0.467 4.786 4.320 -0.000 0.000 0.201 263 K C 1.925 178.493 176.600 -0.054 0.000 1.338 263 K CA 0.337 56.600 56.287 -0.040 0.000 0.935 263 K CB 0.146 32.623 32.500 -0.038 0.000 1.514 263 K HN 0.294 nan 8.250 nan 0.000 0.490 264 L N 0.616 121.789 121.223 -0.084 0.000 2.642 264 L HA 0.222 4.562 4.340 -0.000 0.000 0.233 264 L C -0.132 176.664 176.870 -0.122 0.000 1.077 264 L CA 0.225 55.012 54.840 -0.089 0.000 0.879 264 L CB 1.495 43.498 42.059 -0.094 0.000 1.151 264 L HN -0.029 nan 8.230 nan 0.000 0.495 265 T N 1.509 115.960 114.554 -0.173 0.000 2.881 265 T HA 0.425 4.775 4.350 -0.000 0.000 0.290 265 T C -2.665 171.936 174.700 -0.165 0.000 1.000 265 T CA -1.123 60.846 62.100 -0.218 0.000 0.978 265 T CB 2.523 71.130 68.868 -0.434 0.000 0.997 265 T HN -0.167 nan 8.240 nan 0.000 0.443 266 P HA 0.610 nan 4.420 nan 0.000 0.282 266 P C -1.358 175.920 177.300 -0.035 0.000 1.259 266 P CA -0.830 62.218 63.100 -0.086 0.000 0.826 266 P CB 1.404 33.093 31.700 -0.018 0.000 1.064 267 L N 2.867 124.000 121.223 -0.150 0.000 2.446 267 L HA 0.426 4.766 4.340 -0.000 0.000 0.268 267 L C -1.497 175.405 176.870 0.053 0.000 0.975 267 L CA -0.704 54.114 54.840 -0.037 0.000 0.848 267 L CB 0.838 42.709 42.059 -0.313 0.000 1.225 267 L HN 0.194 nan 8.230 nan 0.000 0.410 268 Y N 6.216 126.637 120.300 0.202 0.000 2.313 268 Y HA 0.560 5.110 4.550 -0.000 0.000 0.332 268 Y C -1.882 174.162 175.900 0.240 0.000 1.071 268 Y CA -1.755 56.486 58.100 0.235 0.000 1.169 268 Y CB 0.869 39.440 38.460 0.185 0.000 1.192 268 Y HN 0.480 nan 8.280 nan 0.000 0.487 269 P HA 0.132 nan 4.420 nan 0.000 0.274 269 P C -0.192 177.066 177.300 -0.070 0.000 1.237 269 P CA -0.119 62.997 63.100 0.027 0.000 0.793 269 P CB 1.264 32.824 31.700 -0.234 0.000 0.977 270 M N -0.091 119.345 119.600 -0.273 0.000 2.514 270 M HA 0.166 4.646 4.480 -0.000 0.000 0.258 270 M C 0.470 176.544 176.300 -0.378 0.000 1.159 270 M CA 0.719 55.751 55.300 -0.447 0.000 1.116 270 M CB 0.205 32.550 32.600 -0.426 0.000 1.333 270 M HN 0.231 nan 8.290 nan 0.000 0.487 271 L N 0.076 121.006 121.223 -0.488 0.000 2.334 271 L HA 0.531 4.871 4.340 -0.000 0.000 0.276 271 L C -1.342 175.089 176.870 -0.731 0.000 1.014 271 L CA -0.717 53.884 54.840 -0.399 0.000 0.815 271 L CB 1.677 43.631 42.059 -0.175 0.000 1.268 271 L HN -0.076 nan 8.230 nan 0.000 0.428 272 F N 0.552 120.519 119.950 0.028 0.000 2.520 272 F HA 0.835 5.362 4.527 0.000 0.000 0.322 272 F C 0.663 176.476 175.800 0.021 0.000 1.103 272 F CA -0.366 57.651 58.000 0.029 0.000 0.926 272 F CB 2.146 41.167 39.000 0.034 0.000 1.154 272 F HN 0.563 nan 8.300 nan 0.000 0.453 273 G N 0.689 109.577 108.800 0.148 0.000 2.485 273 G HA2 0.311 4.271 3.960 -0.000 0.000 0.182 273 G HA3 0.311 4.271 3.960 -0.000 0.000 0.182 273 G C 0.613 175.549 174.900 0.060 0.000 1.172 273 G CA -0.080 45.076 45.100 0.094 0.000 0.996 273 G HN 0.872 nan 8.290 nan 0.000 0.496 274 G N 0.104 108.928 108.800 0.040 0.000 2.780 274 G HA2 0.392 4.352 3.960 -0.000 0.000 0.205 274 G HA3 0.392 4.352 3.960 -0.000 0.000 0.205 274 G C 1.567 176.475 174.900 0.013 0.000 1.158 274 G CA 1.945 47.061 45.100 0.026 0.000 0.812 274 G HN 2.345 nan 8.290 nan 0.000 0.521 275 G N -1.469 107.332 108.800 0.003 0.000 2.199 275 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.254 275 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.254 275 G C 0.456 175.343 174.900 -0.021 0.000 0.982 275 G CA 0.421 45.510 45.100 -0.019 0.000 0.632 275 G HN 0.663 nan 8.290 nan 0.000 0.529 276 Q N 0.429 120.228 119.800 -0.001 0.000 2.454 276 Q HA 0.511 4.851 4.340 -0.000 0.000 0.247 276 Q C 0.889 176.909 176.000 0.033 0.000 1.028 276 Q CA 0.413 56.228 55.803 0.019 0.000 0.910 276 Q CB 0.326 29.082 28.738 0.031 0.000 1.276 276 Q HN 0.335 nan 8.270 nan 0.000 0.489 277 E N 1.464 121.709 120.200 0.075 0.000 2.360 277 E HA -0.301 4.049 4.350 -0.000 0.000 0.238 277 E C -0.721 175.927 176.600 0.080 0.000 1.186 277 E CA 0.940 57.415 56.400 0.126 0.000 0.719 277 E CB -1.343 28.455 29.700 0.164 0.000 1.236 277 E HN 0.757 nan 8.360 nan 0.000 0.386 278 R N -0.496 119.996 120.500 -0.013 0.000 3.627 278 R HA -0.290 4.050 4.340 -0.000 0.000 0.281 278 R C 0.445 176.500 176.300 -0.409 0.000 1.140 278 R CA 0.870 56.870 56.100 -0.167 0.000 0.761 278 R CB -1.374 28.857 30.300 -0.115 0.000 1.181 278 R HN 0.391 nan 8.270 nan 0.000 0.472 279 N N -2.796 115.764 118.700 -0.233 0.000 2.900 279 N HA -0.237 4.503 4.740 -0.000 0.000 0.240 279 N C 0.355 175.719 175.510 -0.243 0.000 0.953 279 N CA 1.815 54.727 53.050 -0.229 0.000 0.950 279 N CB -1.196 37.162 38.487 -0.216 0.000 1.102 279 N HN 0.287 nan 8.380 nan 0.000 0.593 280 F N 0.067 119.995 119.950 -0.037 0.000 2.325 280 F HA 0.112 4.639 4.527 -0.000 0.000 0.299 280 F C 1.759 177.519 175.800 -0.065 0.000 1.090 280 F CA 0.952 58.923 58.000 -0.049 0.000 1.392 280 F CB 0.225 39.204 39.000 -0.034 0.000 1.053 280 F HN -0.083 nan 8.300 nan 0.000 0.521 281 R N 0.524 121.084 120.500 0.101 0.000 3.101 281 R HA 0.227 4.567 4.340 -0.000 0.000 0.242 281 R C -3.182 173.133 176.300 0.024 0.000 1.831 281 R CA -1.919 54.208 56.100 0.044 0.000 1.321 281 R CB 0.458 30.810 30.300 0.086 0.000 1.512 281 R HN -0.090 nan 8.270 nan 0.000 0.568 282 P HA 0.430 nan 4.420 nan 0.000 0.272 282 P C -0.167 177.138 177.300 0.009 0.000 1.240 282 P CA 0.377 63.473 63.100 -0.007 0.000 0.791 282 P CB 0.904 32.592 31.700 -0.020 0.000 0.978 283 G N -0.706 108.105 108.800 0.018 0.000 2.841 283 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.684 283 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.684 283 G C -0.564 174.351 174.900 0.024 0.000 1.273 283 G CA -0.887 44.226 45.100 0.022 0.000 0.811 283 G HN 0.558 nan 8.290 nan 0.000 0.631 284 T N 2.310 116.879 114.554 0.024 0.000 2.819 284 T HA 0.233 4.583 4.350 -0.000 0.000 0.282 284 T C 0.839 175.548 174.700 0.014 0.000 1.013 284 T CA 1.042 63.155 62.100 0.022 0.000 1.159 284 T CB 0.219 69.105 68.868 0.031 0.000 1.007 284 T HN 0.610 nan 8.240 nan 0.000 0.514 285 E N 2.892 123.094 120.200 0.002 0.000 2.384 285 E HA 0.047 4.397 4.350 -0.000 0.000 0.266 285 E C 0.613 177.192 176.600 -0.034 0.000 1.012 285 E CA -0.212 56.175 56.400 -0.022 0.000 0.901 285 E CB 0.285 29.957 29.700 -0.046 0.000 0.967 285 E HN 0.338 nan 8.360 nan 0.000 0.435 286 N N 2.800 121.470 118.700 -0.051 0.000 2.968 286 N HA 0.013 4.753 4.740 -0.000 0.000 0.271 286 N C -0.075 175.385 175.510 -0.083 0.000 1.174 286 N CA 0.102 53.125 53.050 -0.044 0.000 1.096 286 N CB 0.183 38.650 38.487 -0.033 0.000 1.403 286 N HN 0.380 nan 8.380 nan 0.000 0.522 287 T N 2.060 116.574 114.554 -0.068 0.000 2.624 287 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 287 T C -0.941 173.717 174.700 -0.070 0.000 1.041 287 T CA 1.463 63.513 62.100 -0.084 0.000 1.159 287 T CB -0.822 68.020 68.868 -0.043 0.000 0.863 287 T HN 0.459 nan 8.240 nan 0.000 0.434 288 P HA -0.022 nan 4.420 nan 0.000 0.215 288 P C 1.683 178.961 177.300 -0.036 0.000 1.153 288 P CA 0.992 64.082 63.100 -0.017 0.000 0.853 288 P CB -0.141 31.561 31.700 0.005 0.000 0.788 289 M N -1.515 118.056 119.600 -0.048 0.000 2.159 289 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 289 M C 2.181 178.432 176.300 -0.081 0.000 1.063 289 M CA 1.573 56.842 55.300 -0.052 0.000 1.110 289 M CB -1.282 31.290 32.600 -0.046 0.000 1.374 289 M HN -0.002 nan 8.290 nan 0.000 0.411 290 I N -0.114 120.361 120.570 -0.159 0.000 2.353 290 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 290 I C 2.555 178.595 176.117 -0.129 0.000 1.119 290 I CA 0.894 62.030 61.300 -0.274 0.000 1.417 290 I CB -0.450 37.209 38.000 -0.568 0.000 1.078 290 I HN 0.187 nan 8.210 nan 0.000 0.421 291 A N 0.904 123.675 122.820 -0.081 0.000 1.902 291 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 291 A C 2.430 180.020 177.584 0.010 0.000 1.181 291 A CA 1.941 53.965 52.037 -0.022 0.000 0.623 291 A CB -1.421 17.570 19.000 -0.014 0.000 0.818 291 A HN 0.447 nan 8.150 nan 0.000 0.443 292 G N -0.292 108.508 108.800 -0.000 0.000 2.421 292 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 292 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 292 G C 1.485 176.405 174.900 0.033 0.000 1.171 292 G CA 1.192 46.300 45.100 0.014 0.000 0.775 292 G HN 0.434 nan 8.290 nan 0.000 0.543 293 L N 1.652 122.895 121.223 0.034 0.000 2.012 293 L HA 0.076 4.416 4.340 -0.000 0.000 0.210 293 L C 2.870 179.855 176.870 0.192 0.000 1.073 293 L CA 2.400 57.297 54.840 0.094 0.000 0.748 293 L CB -1.056 41.093 42.059 0.150 0.000 0.891 293 L HN 0.194 nan 8.230 nan 0.000 0.431 294 G N -1.117 107.781 108.800 0.164 0.000 2.418 294 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.217 294 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.217 294 G C 1.687 176.682 174.900 0.158 0.000 1.158 294 G CA 1.001 46.209 45.100 0.179 0.000 0.771 294 G HN 0.351 nan 8.290 nan 0.000 0.545 295 K N 1.216 121.689 120.400 0.122 0.000 2.026 295 K HA 0.110 4.430 4.320 -0.000 0.000 0.208 295 K C 2.699 179.394 176.600 0.158 0.000 1.048 295 K CA 1.632 57.986 56.287 0.113 0.000 0.929 295 K CB -0.798 31.751 32.500 0.082 0.000 0.713 295 K HN 0.170 nan 8.250 nan 0.000 0.439 296 A N 0.443 123.378 122.820 0.192 0.000 1.940 296 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 296 A C 2.361 180.208 177.584 0.437 0.000 1.176 296 A CA 2.209 54.423 52.037 0.295 0.000 0.631 296 A CB -1.045 18.069 19.000 0.189 0.000 0.814 296 A HN 0.446 nan 8.150 nan 0.000 0.446 297 A N -0.236 122.837 122.820 0.423 0.000 1.929 297 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 297 A C 1.763 179.435 177.584 0.147 0.000 1.176 297 A CA 1.709 53.909 52.037 0.271 0.000 0.628 297 A CB -0.501 18.642 19.000 0.238 0.000 0.816 297 A HN 0.442 nan 8.150 nan 0.000 0.444 298 D N 0.303 120.788 120.400 0.142 0.000 2.123 298 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 298 D C 1.932 178.283 176.300 0.086 0.000 0.992 298 D CA 1.064 55.119 54.000 0.091 0.000 0.833 298 D CB -0.356 40.491 40.800 0.080 0.000 0.954 298 D HN 0.454 nan 8.370 nan 0.000 0.455 299 L N 0.290 121.592 121.223 0.133 0.000 2.046 299 L HA -0.150 4.189 4.340 -0.000 0.000 0.208 299 L C 2.544 179.514 176.870 0.167 0.000 1.077 299 L CA 0.587 55.520 54.840 0.155 0.000 0.747 299 L CB -0.399 41.789 42.059 0.215 0.000 0.896 299 L HN -0.044 nan 8.230 nan 0.000 0.432 300 V N -0.935 119.092 119.914 0.188 0.000 2.295 300 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 300 V C 2.591 178.682 176.094 -0.004 0.000 1.049 300 V CA 2.036 64.408 62.300 0.120 0.000 1.024 300 V CB -0.422 31.399 31.823 -0.003 0.000 0.648 300 V HN 0.368 nan 8.190 nan 0.000 0.447 301 S N -0.510 115.186 115.700 -0.007 0.000 2.359 301 S HA -0.238 4.232 4.470 -0.000 0.000 0.224 301 S C 1.938 176.506 174.600 -0.054 0.000 1.035 301 S CA 1.834 60.015 58.200 -0.032 0.000 1.018 301 S CB -0.269 62.924 63.200 -0.012 0.000 0.876 301 S HN 0.707 nan 8.310 nan 0.000 0.448 302 E N 0.993 121.164 120.200 -0.049 0.000 2.028 302 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 302 E C 0.987 177.490 176.600 -0.162 0.000 0.988 302 E CA 1.165 57.518 56.400 -0.078 0.000 0.799 302 E CB -0.163 29.509 29.700 -0.048 0.000 0.755 302 E HN 0.568 nan 8.360 nan 0.000 0.447 303 N N -0.661 117.874 118.700 -0.274 0.000 2.204 303 N HA 0.082 4.822 4.740 -0.000 0.000 0.219 303 N C 0.922 175.975 175.510 -0.760 0.000 1.151 303 N CA -0.346 52.356 53.050 -0.580 0.000 0.867 303 N CB 0.423 38.376 38.487 -0.890 0.000 1.043 303 N HN 0.050 nan 8.380 nan 0.000 0.516 304 C N 1.490 120.573 119.300 -0.362 0.000 2.398 304 C HA -0.166 4.294 4.460 -0.000 0.000 0.276 304 C C 2.407 177.309 174.990 -0.147 0.000 1.222 304 C CA 1.419 60.331 59.018 -0.176 0.000 1.746 304 C CB -0.557 27.146 27.740 -0.061 0.000 2.039 304 C HN 0.502 nan 8.230 nan 0.000 0.470 305 E N -0.878 119.233 120.200 -0.149 0.000 2.204 305 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 305 E C 2.191 178.741 176.600 -0.084 0.000 0.990 305 E CA 1.692 58.039 56.400 -0.088 0.000 0.821 305 E CB -0.074 29.580 29.700 -0.076 0.000 0.750 305 E HN 0.668 nan 8.360 nan 0.000 0.477 306 T N 0.022 114.468 114.554 -0.179 0.000 2.770 306 T HA -0.112 4.238 4.350 -0.000 0.000 0.263 306 T C 1.315 176.010 174.700 -0.007 0.000 1.039 306 T CA 0.921 62.939 62.100 -0.137 0.000 1.142 306 T CB -0.238 68.483 68.868 -0.246 0.000 0.868 306 T HN 0.176 nan 8.240 nan 0.000 0.435 307 Y N 1.713 122.000 120.300 -0.022 0.000 2.145 307 Y HA -0.046 4.504 4.550 -0.000 0.000 0.286 307 Y C 2.541 178.464 175.900 0.038 0.000 1.145 307 Y CA 0.445 58.539 58.100 -0.010 0.000 1.148 307 Y CB -0.987 37.449 38.460 -0.039 0.000 0.981 307 Y HN 0.344 nan 8.280 nan 0.000 0.507 308 E N 0.245 120.549 120.200 0.174 0.000 2.058 308 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 308 E C 2.353 179.006 176.600 0.087 0.000 0.997 308 E CA 1.363 57.828 56.400 0.109 0.000 0.801 308 E CB -0.219 29.518 29.700 0.061 0.000 0.746 308 E HN 0.375 nan 8.360 nan 0.000 0.450 309 A N 0.225 123.090 122.820 0.076 0.000 1.902 309 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 309 A C 2.006 179.642 177.584 0.086 0.000 1.181 309 A CA 1.922 53.996 52.037 0.061 0.000 0.623 309 A CB -0.948 18.077 19.000 0.042 0.000 0.818 309 A HN 0.521 nan 8.150 nan 0.000 0.443 310 H N -0.666 118.422 119.070 0.030 0.000 2.321 310 H HA -0.042 4.514 4.556 -0.000 0.000 0.300 310 H C 2.003 177.349 175.328 0.031 0.000 1.087 310 H CA 2.253 58.318 56.048 0.027 0.000 1.319 310 H CB -0.253 29.532 29.762 0.038 0.000 1.379 310 H HN 0.430 nan 8.280 nan 0.000 0.501 311 M N -0.430 119.226 119.600 0.092 0.000 2.080 311 M HA -0.196 4.284 4.480 -0.000 0.000 0.260 311 M C 2.582 178.872 176.300 -0.017 0.000 1.068 311 M CA 1.983 57.299 55.300 0.026 0.000 1.109 311 M CB -0.191 32.455 32.600 0.075 0.000 1.342 311 M HN 0.223 nan 8.290 nan 0.000 0.405 312 R N 0.444 120.947 120.500 0.006 0.000 2.081 312 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 312 R C 1.610 177.900 176.300 -0.018 0.000 1.131 312 R CA 1.940 58.042 56.100 0.004 0.000 0.960 312 R CB -0.176 30.133 30.300 0.015 0.000 0.856 312 R HN 0.317 nan 8.270 nan 0.000 0.436 313 D N 0.428 120.796 120.400 -0.053 0.000 2.104 313 D HA -0.173 4.467 4.640 -0.000 0.000 0.194 313 D C 1.883 178.145 176.300 -0.063 0.000 0.994 313 D CA 1.142 55.103 54.000 -0.066 0.000 0.830 313 D CB -0.130 40.606 40.800 -0.106 0.000 0.959 313 D HN 0.207 nan 8.370 nan 0.000 0.452 314 I N 0.783 121.261 120.570 -0.153 0.000 2.252 314 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 314 I C 2.420 178.569 176.117 0.052 0.000 1.102 314 I CA 0.820 62.075 61.300 -0.075 0.000 1.385 314 I CB -0.932 36.957 38.000 -0.185 0.000 1.064 314 I HN 0.030 nan 8.210 nan 0.000 0.414 315 R N 1.158 121.671 120.500 0.022 0.000 2.081 315 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 315 R C 1.653 177.974 176.300 0.035 0.000 1.131 315 R CA 1.715 57.838 56.100 0.038 0.000 0.960 315 R CB -0.326 29.993 30.300 0.031 0.000 0.856 315 R HN 0.310 nan 8.270 nan 0.000 0.436 316 D N -0.665 119.758 120.400 0.038 0.000 2.178 316 D HA -0.166 4.474 4.640 -0.000 0.000 0.202 316 D C 1.578 177.907 176.300 0.048 0.000 0.974 316 D CA 0.864 54.882 54.000 0.030 0.000 0.841 316 D CB -0.346 40.471 40.800 0.029 0.000 0.953 316 D HN 0.276 nan 8.370 nan 0.000 0.478 317 Y N 1.144 121.419 120.300 -0.042 0.000 2.200 317 Y HA -0.121 4.429 4.550 -0.000 0.000 0.290 317 Y C 2.043 177.919 175.900 -0.040 0.000 1.137 317 Y CA 0.813 58.889 58.100 -0.040 0.000 1.163 317 Y CB -0.392 38.041 38.460 -0.045 0.000 0.988 317 Y HN -0.059 nan 8.280 nan 0.000 0.518 318 L N 0.901 122.096 121.223 -0.046 0.000 2.012 318 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 318 L C 2.028 178.792 176.870 -0.177 0.000 1.073 318 L CA 2.142 56.903 54.840 -0.130 0.000 0.748 318 L CB -0.958 41.091 42.059 -0.017 0.000 0.891 318 L HN 0.305 nan 8.230 nan 0.000 0.431 319 E N -0.652 119.480 120.200 -0.113 0.000 2.153 319 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 319 E C 2.001 178.519 176.600 -0.137 0.000 0.988 319 E CA 1.187 57.521 56.400 -0.109 0.000 0.811 319 E CB -0.074 29.588 29.700 -0.064 0.000 0.746 319 E HN 0.613 nan 8.360 nan 0.000 0.466 320 E N 0.463 120.561 120.200 -0.170 0.000 2.107 320 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 320 E C 2.107 178.565 176.600 -0.236 0.000 0.982 320 E CA 0.505 56.799 56.400 -0.176 0.000 0.809 320 E CB 0.050 29.657 29.700 -0.154 0.000 0.756 320 E HN 0.148 nan 8.360 nan 0.000 0.459 321 R N 0.586 120.869 120.500 -0.362 0.000 2.092 321 R HA -0.000 4.339 4.340 -0.000 0.000 0.231 321 R C 2.563 178.734 176.300 -0.216 0.000 1.119 321 R CA 0.435 56.336 56.100 -0.331 0.000 0.970 321 R CB -0.695 29.342 30.300 -0.438 0.000 0.864 321 R HN 0.229 nan 8.270 nan 0.000 0.440 322 L N 0.692 121.809 121.223 -0.177 0.000 2.046 322 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 322 L C 2.306 179.165 176.870 -0.018 0.000 1.077 322 L CA 1.474 56.272 54.840 -0.071 0.000 0.747 322 L CB -0.363 41.591 42.059 -0.176 0.000 0.896 322 L HN 0.221 nan 8.230 nan 0.000 0.432 323 E N -0.180 119.976 120.200 -0.074 0.000 2.106 323 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 323 E C 2.225 178.779 176.600 -0.076 0.000 0.984 323 E CA 1.049 57.417 56.400 -0.053 0.000 0.806 323 E CB -0.091 29.571 29.700 -0.063 0.000 0.750 323 E HN 0.488 nan 8.360 nan 0.000 0.458 324 A N 0.930 123.679 122.820 -0.118 0.000 2.014 324 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 324 A C 1.967 179.440 177.584 -0.185 0.000 1.163 324 A CA 1.407 53.365 52.037 -0.131 0.000 0.652 324 A CB -0.127 18.791 19.000 -0.136 0.000 0.808 324 A HN 0.107 nan 8.150 nan 0.000 0.449 325 E N -1.632 118.405 120.200 -0.271 0.000 2.250 325 E HA 0.079 4.429 4.350 -0.000 0.000 0.192 325 E C 0.759 176.971 176.600 -0.647 0.000 0.986 325 E CA 0.851 56.950 56.400 -0.501 0.000 0.849 325 E CB -0.137 29.123 29.700 -0.734 0.000 0.797 325 E HN 0.512 nan 8.360 nan 0.000 0.482 326 F N -0.813 119.078 119.950 -0.098 0.000 2.728 326 F HA 0.438 4.965 4.527 -0.000 0.000 0.314 326 F C 1.483 177.234 175.800 -0.081 0.000 1.094 326 F CA 0.301 58.251 58.000 -0.084 0.000 1.217 326 F CB 0.478 39.422 39.000 -0.093 0.000 1.056 326 F HN 0.165 nan 8.300 nan 0.000 0.577 327 G N 1.380 110.200 108.800 0.034 0.000 2.634 327 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.309 327 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.309 327 G C 1.214 176.107 174.900 -0.012 0.000 1.265 327 G CA 0.654 45.753 45.100 -0.001 0.000 0.998 327 G HN 0.320 nan 8.290 nan 0.000 0.551 328 K N 0.478 120.861 120.400 -0.028 0.000 2.504 328 K HA 0.096 4.416 4.320 -0.000 0.000 0.195 328 K C 2.472 179.005 176.600 -0.113 0.000 1.036 328 K CA 0.640 56.886 56.287 -0.068 0.000 0.984 328 K CB 0.042 32.517 32.500 -0.041 0.000 0.788 328 K HN 0.373 nan 8.250 nan 0.000 0.488 329 R N 0.707 121.180 120.500 -0.045 0.000 2.280 329 R HA 0.103 4.443 4.340 -0.000 0.000 0.207 329 R C 0.433 176.652 176.300 -0.136 0.000 1.043 329 R CA 0.392 56.462 56.100 -0.049 0.000 1.006 329 R CB 0.196 30.532 30.300 0.060 0.000 0.885 329 R HN 0.119 nan 8.270 nan 0.000 0.467 330 I N 0.453 120.937 120.570 -0.145 0.000 2.493 330 I HA 0.209 4.379 4.170 -0.000 0.000 0.298 330 I C -1.084 174.894 176.117 -0.232 0.000 0.998 330 I CA -0.928 60.298 61.300 -0.123 0.000 1.137 330 I CB 1.243 39.224 38.000 -0.031 0.000 1.310 330 I HN 0.112 nan 8.210 nan 0.000 0.445 331 H N 6.547 125.656 119.070 0.065 0.000 2.489 331 H HA 0.442 4.998 4.556 -0.000 0.000 0.343 331 H C -0.925 174.443 175.328 0.067 0.000 1.086 331 H CA -0.535 55.545 56.048 0.052 0.000 1.198 331 H CB 1.677 31.470 29.762 0.052 0.000 1.490 331 H HN 0.391 nan 8.280 nan 0.000 0.504 332 L N 3.329 124.621 121.223 0.114 0.000 2.315 332 L HA 0.193 4.532 4.340 -0.000 0.000 0.278 332 L C 0.508 177.349 176.870 -0.049 0.000 1.088 332 L CA -0.494 54.370 54.840 0.041 0.000 0.899 332 L CB 0.368 42.402 42.059 -0.041 0.000 1.277 332 L HN 0.711 nan 8.230 nan 0.000 0.431 333 N N 0.264 118.989 118.700 0.042 0.000 2.573 333 N HA -0.093 4.647 4.740 -0.000 0.000 0.187 333 N C 1.061 176.594 175.510 0.038 0.000 1.107 333 N CA 0.666 53.765 53.050 0.082 0.000 0.918 333 N CB 0.272 38.827 38.487 0.113 0.000 0.966 333 N HN 0.435 nan 8.380 nan 0.000 0.448 334 S N -0.301 115.340 115.700 -0.098 0.000 2.539 334 S HA 0.137 4.607 4.470 -0.000 0.000 0.221 334 S C 0.627 175.030 174.600 -0.327 0.000 0.987 334 S CA -0.359 57.803 58.200 -0.063 0.000 0.929 334 S CB 0.972 64.176 63.200 0.008 0.000 0.832 334 S HN 0.214 nan 8.310 nan 0.000 0.492 335 R N 1.029 121.084 120.500 -0.741 0.000 2.320 335 R HA 0.524 4.864 4.340 -0.000 0.000 0.319 335 R C -1.731 173.867 176.300 -1.169 0.000 0.969 335 R CA -0.317 55.355 56.100 -0.713 0.000 0.857 335 R CB 0.339 30.437 30.300 -0.337 0.000 1.160 335 R HN 0.069 nan 8.270 nan 0.000 0.491 336 F N 3.392 123.363 119.950 0.034 0.000 2.593 336 F HA 0.552 5.079 4.527 -0.000 0.000 0.320 336 F C -1.870 173.945 175.800 0.025 0.000 1.060 336 F CA -2.714 55.304 58.000 0.029 0.000 0.940 336 F CB 1.508 40.523 39.000 0.026 0.000 1.268 336 F HN 0.376 nan 8.300 nan 0.000 0.475 337 P HA 0.306 nan 4.420 nan 0.000 0.281 337 P C 0.441 177.808 177.300 0.111 0.000 1.252 337 P CA 0.231 63.395 63.100 0.106 0.000 0.778 337 P CB 1.029 32.779 31.700 0.083 0.000 0.895 338 G N 1.766 110.615 108.800 0.080 0.000 2.184 338 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.264 338 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.264 338 G C 0.053 175.005 174.900 0.087 0.000 0.975 338 G CA -0.138 45.004 45.100 0.070 0.000 0.642 338 G HN 0.512 nan 8.290 nan 0.000 0.536 339 V N 1.440 121.432 119.914 0.130 0.000 2.333 339 V HA 0.353 4.473 4.120 -0.000 0.000 0.274 339 V C 0.782 176.944 176.094 0.114 0.000 1.028 339 V CA -0.691 61.697 62.300 0.147 0.000 0.851 339 V CB 1.525 33.517 31.823 0.280 0.000 1.000 339 V HN 0.405 nan 8.190 nan 0.000 0.456 340 E N 4.854 125.102 120.200 0.080 0.000 2.392 340 E HA 0.347 4.697 4.350 -0.000 0.000 0.264 340 E C 0.041 176.684 176.600 0.072 0.000 1.024 340 E CA -0.110 56.327 56.400 0.062 0.000 0.903 340 E CB 0.688 30.415 29.700 0.044 0.000 0.963 340 E HN 0.746 nan 8.360 nan 0.000 0.432 341 R N 2.223 122.758 120.500 0.059 0.000 2.707 341 R HA 0.398 4.738 4.340 -0.000 0.000 0.272 341 R C -0.827 175.502 176.300 0.049 0.000 1.011 341 R CA -0.938 55.199 56.100 0.061 0.000 0.893 341 R CB 0.517 30.856 30.300 0.066 0.000 1.233 341 R HN 0.303 nan 8.270 nan 0.000 0.464 342 L N 2.277 123.531 121.223 0.053 0.000 2.529 342 L HA 0.061 4.401 4.340 -0.000 0.000 0.287 342 L C -1.086 175.814 176.870 0.050 0.000 1.241 342 L CA -1.064 53.806 54.840 0.051 0.000 0.857 342 L CB 0.448 42.542 42.059 0.059 0.000 1.113 342 L HN 0.656 nan 8.230 nan 0.000 0.504 343 P HA -0.067 nan 4.420 nan 0.000 0.241 343 P C 0.249 177.579 177.300 0.049 0.000 1.191 343 P CA 0.813 63.940 63.100 0.045 0.000 0.771 343 P CB 0.149 31.877 31.700 0.047 0.000 0.929 344 N N -1.205 117.532 118.700 0.062 0.000 2.184 344 N HA 0.039 4.779 4.740 -0.000 0.000 0.206 344 N C -0.297 175.261 175.510 0.080 0.000 1.151 344 N CA 0.064 53.157 53.050 0.070 0.000 0.878 344 N CB -0.364 38.174 38.487 0.085 0.000 1.014 344 N HN -0.186 nan 8.380 nan 0.000 0.512 345 T N 0.972 115.569 114.554 0.071 0.000 2.794 345 T HA 0.367 4.717 4.350 -0.000 0.000 0.280 345 T C -0.902 173.840 174.700 0.070 0.000 0.987 345 T CA -0.498 61.647 62.100 0.076 0.000 0.993 345 T CB 1.506 70.418 68.868 0.073 0.000 0.939 345 T HN 0.293 nan 8.240 nan 0.000 0.449 346 C N 6.008 125.362 119.300 0.091 0.000 2.455 346 C HA 0.497 4.957 4.460 -0.000 0.000 0.321 346 C C -0.265 174.827 174.990 0.169 0.000 1.102 346 C CA -1.067 58.018 59.018 0.111 0.000 1.413 346 C CB -0.890 26.916 27.740 0.110 0.000 1.952 346 C HN 0.877 nan 8.230 nan 0.000 0.428 347 N N 4.532 123.303 118.700 0.118 0.000 2.434 347 N HA 0.627 5.367 4.740 -0.000 0.000 0.272 347 N C -0.876 174.711 175.510 0.127 0.000 1.040 347 N CA 0.043 53.137 53.050 0.073 0.000 0.956 347 N CB 1.030 39.541 38.487 0.040 0.000 1.108 347 N HN 0.715 nan 8.380 nan 0.000 0.481 348 F N 0.070 120.018 119.950 -0.004 0.000 2.626 348 F HA 0.665 5.191 4.527 -0.000 0.000 0.311 348 F C -1.087 174.705 175.800 -0.013 0.000 1.088 348 F CA -0.861 57.134 58.000 -0.009 0.000 0.949 348 F CB 1.219 40.199 39.000 -0.034 0.000 1.322 348 F HN 0.107 nan 8.300 nan 0.000 0.461 349 S N 2.413 118.177 115.700 0.107 0.000 2.557 349 S HA 0.665 5.135 4.470 -0.000 0.000 0.291 349 S C -0.950 173.759 174.600 0.182 0.000 1.116 349 S CA -0.616 57.601 58.200 0.027 0.000 0.992 349 S CB 1.441 64.658 63.200 0.029 0.000 1.028 349 S HN 0.601 nan 8.310 nan 0.000 0.484 350 I N 3.546 124.162 120.570 0.077 0.000 2.339 350 I HA 0.238 4.408 4.170 -0.000 0.000 0.290 350 I C 0.549 176.677 176.117 0.020 0.000 0.994 350 I CA -0.748 60.544 61.300 -0.013 0.000 1.191 350 I CB 1.442 39.322 38.000 -0.200 0.000 1.343 350 I HN 0.659 nan 8.210 nan 0.000 0.458 351 Q N 5.483 125.322 119.800 0.066 0.000 2.361 351 Q HA 0.530 4.870 4.340 -0.000 0.000 0.276 351 Q C -0.053 175.965 176.000 0.029 0.000 1.022 351 Q CA -0.471 55.383 55.803 0.085 0.000 0.898 351 Q CB 0.890 29.708 28.738 0.133 0.000 1.246 351 Q HN 0.867 nan 8.270 nan 0.000 0.410 352 G N 0.608 109.419 108.800 0.019 0.000 2.238 352 G HA2 0.065 4.025 3.960 -0.000 0.000 0.276 352 G HA3 0.065 4.025 3.960 -0.000 0.000 0.276 352 G C 0.030 174.925 174.900 -0.008 0.000 1.744 352 G CA -0.215 44.888 45.100 0.004 0.000 0.912 352 G HN 0.711 nan 8.290 nan 0.000 0.744 353 S N 0.601 116.298 115.700 -0.006 0.000 2.423 353 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 353 S C 1.438 176.021 174.600 -0.028 0.000 1.014 353 S CA 1.672 59.865 58.200 -0.012 0.000 0.965 353 S CB 0.047 63.244 63.200 -0.005 0.000 0.785 353 S HN 0.518 nan 8.310 nan 0.000 0.495 354 Q N 0.596 120.377 119.800 -0.032 0.000 2.280 354 Q HA 0.352 4.692 4.340 -0.000 0.000 0.202 354 Q C 0.463 176.412 176.000 -0.085 0.000 0.903 354 Q CA 0.170 55.942 55.803 -0.052 0.000 0.948 354 Q CB 0.017 28.734 28.738 -0.036 0.000 1.058 354 Q HN 0.612 nan 8.270 nan 0.000 0.493 355 L N 1.290 122.463 121.223 -0.083 0.000 3.034 355 L HA 0.251 4.591 4.340 -0.000 0.000 0.245 355 L C 0.069 176.853 176.870 -0.143 0.000 1.295 355 L CA -0.527 54.250 54.840 -0.105 0.000 1.068 355 L CB 0.126 42.140 42.059 -0.074 0.000 1.426 355 L HN -0.171 nan 8.230 nan 0.000 0.531 356 R N 0.734 121.115 120.500 -0.199 0.000 2.640 356 R HA 0.036 4.376 4.340 -0.000 0.000 0.270 356 R C 1.469 177.604 176.300 -0.274 0.000 1.024 356 R CA 0.388 56.350 56.100 -0.229 0.000 1.085 356 R CB 0.200 30.281 30.300 -0.364 0.000 0.963 356 R HN 0.279 nan 8.270 nan 0.000 0.426 357 G N 2.306 111.013 108.800 -0.156 0.000 2.476 357 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.218 357 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.218 357 G C 1.254 176.088 174.900 -0.110 0.000 1.164 357 G CA 1.335 46.352 45.100 -0.138 0.000 0.768 357 G HN 0.817 nan 8.290 nan 0.000 0.560 358 Y N -0.657 119.612 120.300 -0.051 0.000 2.333 358 Y HA 0.166 4.715 4.550 -0.000 0.000 0.290 358 Y C 2.670 178.556 175.900 -0.023 0.000 1.144 358 Y CA 1.108 59.188 58.100 -0.033 0.000 1.228 358 Y CB -0.360 38.085 38.460 -0.026 0.000 0.985 358 Y HN 0.153 nan 8.280 nan 0.000 0.542 359 M N 0.098 119.272 119.600 -0.711 0.000 2.156 359 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 359 M C 2.093 178.281 176.300 -0.186 0.000 1.067 359 M CA 1.379 56.419 55.300 -0.433 0.000 1.131 359 M CB -0.327 31.981 32.600 -0.486 0.000 1.368 359 M HN 0.255 nan 8.290 nan 0.000 0.416 360 V N 0.884 120.700 119.914 -0.164 0.000 2.295 360 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 360 V C 2.259 178.338 176.094 -0.025 0.000 1.049 360 V CA 1.668 63.925 62.300 -0.071 0.000 1.024 360 V CB -0.672 31.117 31.823 -0.055 0.000 0.648 360 V HN 0.468 nan 8.190 nan 0.000 0.447 361 L N -0.028 121.180 121.223 -0.025 0.000 2.093 361 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 361 L C 2.715 179.597 176.870 0.021 0.000 1.085 361 L CA 1.316 56.164 54.840 0.012 0.000 0.755 361 L CB -0.791 41.279 42.059 0.019 0.000 0.904 361 L HN 0.366 nan 8.230 nan 0.000 0.435 362 A N -0.813 122.017 122.820 0.016 0.000 1.978 362 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 362 A C 2.209 179.804 177.584 0.018 0.000 1.170 362 A CA 1.373 53.427 52.037 0.028 0.000 0.636 362 A CB -0.251 18.769 19.000 0.034 0.000 0.810 362 A HN 0.381 nan 8.150 nan 0.000 0.448 363 Q N -1.103 118.700 119.800 0.006 0.000 2.402 363 Q HA 0.079 4.419 4.340 -0.000 0.000 0.206 363 Q C 0.428 176.443 176.000 0.025 0.000 0.919 363 Q CA 0.101 55.912 55.803 0.013 0.000 0.923 363 Q CB -0.379 28.362 28.738 0.005 0.000 1.048 363 Q HN 0.635 nan 8.270 nan 0.000 0.515 364 C N 1.876 121.194 119.300 0.031 0.000 2.676 364 C HA 0.076 4.536 4.460 -0.000 0.000 0.416 364 C C 1.700 176.713 174.990 0.038 0.000 1.299 364 C CA -0.225 58.819 59.018 0.042 0.000 2.048 364 C CB 0.589 28.360 27.740 0.052 0.000 2.713 364 C HN 0.421 nan 8.230 nan 0.000 0.624 365 Q N 0.629 120.452 119.800 0.040 0.000 2.350 365 Q HA 0.072 4.412 4.340 -0.000 0.000 0.225 365 Q C 1.657 177.681 176.000 0.040 0.000 0.878 365 Q CA 0.816 56.641 55.803 0.036 0.000 0.935 365 Q CB 0.282 29.039 28.738 0.032 0.000 1.099 365 Q HN 0.849 nan 8.270 nan 0.000 0.527 366 T N 0.311 114.893 114.554 0.047 0.000 3.098 366 T HA 0.159 4.509 4.350 -0.000 0.000 0.246 366 T C 0.381 175.117 174.700 0.060 0.000 0.983 366 T CA -0.326 61.805 62.100 0.052 0.000 1.094 366 T CB 0.255 69.155 68.868 0.053 0.000 1.035 366 T HN 0.078 nan 8.240 nan 0.000 0.456 367 L N 3.010 124.269 121.223 0.059 0.000 2.453 367 L HA 0.387 4.727 4.340 -0.000 0.000 0.272 367 L C -1.111 175.783 176.870 0.041 0.000 1.182 367 L CA 0.266 55.140 54.840 0.057 0.000 0.858 367 L CB 0.059 42.157 42.059 0.066 0.000 1.120 367 L HN 0.161 nan 8.230 nan 0.000 0.474 368 L N 6.622 127.855 121.223 0.017 0.000 2.342 368 L HA 0.821 5.161 4.340 -0.000 0.000 0.276 368 L C -0.110 176.683 176.870 -0.129 0.000 0.997 368 L CA -0.211 54.621 54.840 -0.015 0.000 0.838 368 L CB 1.033 43.127 42.059 0.059 0.000 1.224 368 L HN 0.930 nan 8.230 nan 0.000 0.416 369 A N 2.516 125.281 122.820 -0.092 0.000 2.733 369 A HA 0.974 5.294 4.320 -0.000 0.000 0.299 369 A C -0.801 176.736 177.584 -0.079 0.000 1.252 369 A CA -0.184 51.784 52.037 -0.116 0.000 0.677 369 A CB 1.919 20.902 19.000 -0.029 0.000 1.361 369 A HN 0.578 nan 8.150 nan 0.000 0.528 370 S N -1.885 113.779 115.700 -0.059 0.000 2.638 370 S HA 0.527 4.997 4.470 -0.000 0.000 0.274 370 S C 0.545 175.126 174.600 -0.032 0.000 1.157 370 S CA 0.079 58.259 58.200 -0.033 0.000 0.826 370 S CB 0.846 64.028 63.200 -0.029 0.000 1.139 370 S HN 1.976 nan 8.310 nan 0.000 0.474 371 V N -1.489 118.420 119.914 -0.007 0.000 2.788 371 V HA 0.571 4.691 4.120 -0.000 0.000 0.251 371 V C 1.026 177.112 176.094 -0.013 0.000 1.068 371 V CA 1.570 63.860 62.300 -0.017 0.000 1.090 371 V CB -1.094 30.749 31.823 0.034 0.000 0.710 371 V HN 1.275 nan 8.190 nan 0.000 0.467 372 G N -0.693 108.117 108.800 0.017 0.000 3.008 372 G HA2 0.626 4.586 3.960 -0.000 0.000 0.148 372 G HA3 0.626 4.586 3.960 -0.000 0.000 0.148 372 G C -0.544 174.378 174.900 0.037 0.000 1.184 372 G CA -0.222 44.902 45.100 0.040 0.000 1.087 372 G HN 0.733 nan 8.290 nan 0.000 0.602 373 A N -0.101 122.746 122.820 0.046 0.000 2.340 373 A HA 0.597 4.917 4.320 -0.000 0.000 0.268 373 A C 1.397 178.945 177.584 -0.060 0.000 1.100 373 A CA 0.728 52.740 52.037 -0.042 0.000 0.803 373 A CB 0.820 19.710 19.000 -0.183 0.000 1.043 373 A HN 0.932 nan 8.150 nan 0.000 0.488 374 S N 0.498 116.175 115.700 -0.039 0.000 2.423 374 S HA -0.173 4.296 4.470 -0.000 0.000 0.231 374 S C 1.662 176.240 174.600 -0.037 0.000 1.014 374 S CA 1.526 59.718 58.200 -0.013 0.000 0.965 374 S CB -0.760 62.454 63.200 0.024 0.000 0.785 374 S HN 1.015 nan 8.310 nan 0.000 0.495 375 C N 0.786 120.010 119.300 -0.127 0.000 2.511 375 C HA 0.178 4.638 4.460 -0.000 0.000 0.277 375 C C 1.392 176.348 174.990 -0.057 0.000 1.451 375 C CA -0.346 58.599 59.018 -0.123 0.000 1.735 375 C CB -2.141 25.483 27.740 -0.194 0.000 1.704 375 C HN 0.574 nan 8.230 nan 0.000 0.571 376 H N -0.239 118.822 119.070 -0.014 0.000 2.594 376 H HA 0.158 4.714 4.556 -0.000 0.000 0.279 376 H C 1.986 177.327 175.328 0.020 0.000 1.042 376 H CA -0.050 56.000 56.048 0.003 0.000 1.177 376 H CB 0.363 30.113 29.762 -0.020 0.000 1.524 376 H HN 0.348 nan 8.280 nan 0.000 0.537 377 S N 1.092 116.852 115.700 0.099 0.000 2.407 377 S HA -0.230 4.240 4.470 -0.000 0.000 0.235 377 S C 1.945 176.553 174.600 0.014 0.000 1.036 377 S CA 1.761 59.988 58.200 0.046 0.000 1.013 377 S CB -0.196 63.017 63.200 0.021 0.000 0.820 377 S HN 0.703 nan 8.310 nan 0.000 0.476 378 D N 0.488 120.906 120.400 0.030 0.000 2.178 378 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 378 D C 0.267 176.413 176.300 -0.256 0.000 0.980 378 D CA 1.172 55.127 54.000 -0.076 0.000 0.842 378 D CB -0.447 40.344 40.800 -0.014 0.000 0.948 378 D HN 0.480 nan 8.370 nan 0.000 0.472 379 H N -0.526 118.505 119.070 -0.064 0.000 2.412 379 H HA 0.391 4.947 4.556 -0.000 0.000 0.239 379 H C 1.205 176.458 175.328 -0.125 0.000 1.388 379 H CA 0.422 56.405 56.048 -0.109 0.000 1.148 379 H CB 0.386 30.083 29.762 -0.109 0.000 1.637 379 H HN 0.260 nan 8.280 nan 0.000 0.542 380 E N 0.430 120.574 120.200 -0.094 0.000 2.401 380 E HA -0.133 4.217 4.350 -0.000 0.000 0.199 380 E C 1.427 177.935 176.600 -0.153 0.000 1.023 380 E CA 1.334 57.685 56.400 -0.083 0.000 0.859 380 E CB -0.718 28.944 29.700 -0.064 0.000 0.780 380 E HN 0.818 nan 8.360 nan 0.000 0.523 381 D N -1.114 119.090 120.400 -0.327 0.000 2.349 381 D HA 0.429 5.069 4.640 -0.000 0.000 0.214 381 D C 1.244 177.527 176.300 -0.027 0.000 1.063 381 D CA 0.614 54.429 54.000 -0.309 0.000 0.847 381 D CB -0.444 39.988 40.800 -0.613 0.000 0.933 381 D HN 0.746 nan 8.370 nan 0.000 0.513 382 R N 0.701 121.193 120.500 -0.013 0.000 2.536 382 R HA 0.693 5.033 4.340 -0.000 0.000 0.279 382 R C -2.692 173.607 176.300 -0.001 0.000 1.001 382 R CA -1.338 54.757 56.100 -0.008 0.000 1.027 382 R CB -0.480 29.796 30.300 -0.041 0.000 1.096 382 R HN 0.172 nan 8.270 nan 0.000 0.502 383 P HA 0.101 nan 4.420 nan 0.000 0.272 383 P C -0.297 176.984 177.300 -0.031 0.000 1.240 383 P CA -0.323 62.771 63.100 -0.010 0.000 0.791 383 P CB 0.787 32.476 31.700 -0.019 0.000 0.978 384 S N 1.763 117.447 115.700 -0.026 0.000 2.516 384 S HA 0.111 4.581 4.470 -0.000 0.000 0.282 384 S C -1.587 172.984 174.600 -0.049 0.000 1.286 384 S CA -0.875 57.306 58.200 -0.032 0.000 1.066 384 S CB -0.278 62.919 63.200 -0.005 0.000 0.884 384 S HN 0.197 nan 8.310 nan 0.000 0.491 385 P HA -0.062 nan 4.420 nan 0.000 0.217 385 P C 1.549 178.821 177.300 -0.046 0.000 1.150 385 P CA 0.516 63.566 63.100 -0.085 0.000 0.832 385 P CB 0.069 31.687 31.700 -0.136 0.000 0.787 386 V N -0.250 119.652 119.914 -0.020 0.000 2.261 386 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 386 V C 2.447 178.545 176.094 0.008 0.000 1.047 386 V CA 1.754 64.060 62.300 0.010 0.000 1.015 386 V CB -1.290 30.560 31.823 0.045 0.000 0.642 386 V HN 0.054 nan 8.190 nan 0.000 0.446 387 L N -0.736 120.491 121.223 0.007 0.000 2.043 387 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 387 L C 2.434 179.300 176.870 -0.008 0.000 1.075 387 L CA 1.592 56.437 54.840 0.008 0.000 0.752 387 L CB -0.728 41.332 42.059 0.002 0.000 0.891 387 L HN 0.316 nan 8.230 nan 0.000 0.432 388 L N -0.663 120.548 121.223 -0.021 0.000 1.971 388 L HA -0.252 4.088 4.340 -0.000 0.000 0.215 388 L C 2.689 179.542 176.870 -0.027 0.000 1.072 388 L CA 1.681 56.504 54.840 -0.029 0.000 0.758 388 L CB -0.779 41.257 42.059 -0.039 0.000 0.889 388 L HN 0.208 nan 8.230 nan 0.000 0.433 389 S N -1.128 114.557 115.700 -0.024 0.000 2.442 389 S HA -0.153 4.317 4.470 -0.000 0.000 0.236 389 S C 1.858 176.446 174.600 -0.020 0.000 1.007 389 S CA 1.279 59.467 58.200 -0.020 0.000 0.965 389 S CB -0.548 62.645 63.200 -0.012 0.000 0.773 389 S HN 0.473 nan 8.310 nan 0.000 0.504 390 C N 0.838 120.125 119.300 -0.020 0.000 2.562 390 C HA 0.452 4.912 4.460 -0.000 0.000 0.266 390 C C 1.991 176.941 174.990 -0.066 0.000 1.382 390 C CA 0.005 58.998 59.018 -0.040 0.000 1.742 390 C CB -1.254 26.471 27.740 -0.024 0.000 1.812 390 C HN 0.746 nan 8.230 nan 0.000 0.559 391 G N 0.647 109.418 108.800 -0.047 0.000 2.143 391 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.175 391 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.175 391 G C -0.163 174.713 174.900 -0.041 0.000 1.004 391 G CA -0.477 44.591 45.100 -0.053 0.000 0.671 391 G HN 0.512 nan 8.290 nan 0.000 0.512 392 I N 1.740 122.294 120.570 -0.027 0.000 2.395 392 I HA 0.308 4.478 4.170 -0.000 0.000 0.289 392 I C -1.492 174.601 176.117 -0.040 0.000 1.023 392 I CA -2.259 59.027 61.300 -0.024 0.000 1.350 392 I CB 1.130 39.128 38.000 -0.003 0.000 1.409 392 I HN -0.124 nan 8.210 nan 0.000 0.507 393 P HA -0.052 nan 4.420 nan 0.000 0.270 393 P C 0.786 178.057 177.300 -0.048 0.000 1.221 393 P CA 0.048 63.115 63.100 -0.054 0.000 0.788 393 P CB 0.614 32.270 31.700 -0.072 0.000 0.904 394 V N 1.147 121.039 119.914 -0.038 0.000 2.591 394 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 394 V C 1.801 177.876 176.094 -0.032 0.000 1.053 394 V CA 2.489 64.770 62.300 -0.032 0.000 1.068 394 V CB -1.609 30.199 31.823 -0.025 0.000 0.689 394 V HN 0.615 nan 8.190 nan 0.000 0.462 395 D N -0.413 119.965 120.400 -0.036 0.000 2.117 395 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 395 D C 1.624 177.895 176.300 -0.048 0.000 0.982 395 D CA 1.774 55.755 54.000 -0.033 0.000 0.828 395 D CB -0.242 40.541 40.800 -0.028 0.000 0.967 395 D HN 0.270 nan 8.370 nan 0.000 0.464 396 V N 0.792 120.657 119.914 -0.082 0.000 2.346 396 V HA -0.070 4.050 4.120 -0.000 0.000 0.244 396 V C 2.734 178.787 176.094 -0.069 0.000 1.037 396 V CA 1.562 63.796 62.300 -0.109 0.000 1.029 396 V CB -0.896 30.800 31.823 -0.211 0.000 0.663 396 V HN 0.434 nan 8.190 nan 0.000 0.454 397 A N 0.197 122.983 122.820 -0.056 0.000 1.933 397 A HA -0.250 4.069 4.320 -0.000 0.000 0.218 397 A C 2.379 179.940 177.584 -0.038 0.000 1.175 397 A CA 1.965 53.976 52.037 -0.043 0.000 0.628 397 A CB -0.622 18.359 19.000 -0.032 0.000 0.814 397 A HN 0.477 nan 8.150 nan 0.000 0.444 398 R N -0.300 120.182 120.500 -0.029 0.000 2.127 398 R HA -0.161 4.179 4.340 -0.000 0.000 0.238 398 R C 0.674 176.958 176.300 -0.026 0.000 1.134 398 R CA 1.821 57.915 56.100 -0.010 0.000 0.975 398 R CB -0.193 30.105 30.300 -0.003 0.000 0.865 398 R HN 0.493 nan 8.270 nan 0.000 0.447 399 N N -0.180 118.486 118.700 -0.057 0.000 2.280 399 N HA 0.135 4.874 4.740 -0.000 0.000 0.192 399 N C -0.708 174.702 175.510 -0.166 0.000 1.109 399 N CA 0.448 53.441 53.050 -0.096 0.000 0.855 399 N CB 0.987 39.433 38.487 -0.069 0.000 0.974 399 N HN 0.207 nan 8.380 nan 0.000 0.482 400 A N 0.435 123.165 122.820 -0.150 0.000 2.477 400 A HA 0.378 4.698 4.320 -0.000 0.000 0.246 400 A C -0.019 177.379 177.584 -0.311 0.000 1.078 400 A CA 0.044 51.942 52.037 -0.232 0.000 0.770 400 A CB 0.362 19.281 19.000 -0.134 0.000 1.011 400 A HN 0.014 nan 8.150 nan 0.000 0.494 401 V N 3.651 123.217 119.914 -0.581 0.000 2.656 401 V HA 0.464 4.584 4.120 -0.000 0.000 0.307 401 V C 0.249 176.103 176.094 -0.401 0.000 1.051 401 V CA -0.702 61.270 62.300 -0.547 0.000 0.893 401 V CB 1.801 33.137 31.823 -0.812 0.000 0.999 401 V HN 0.967 nan 8.190 nan 0.000 0.426 402 R N 4.928 125.334 120.500 -0.156 0.000 2.229 402 R HA 0.629 4.969 4.340 -0.000 0.000 0.332 402 R C -1.517 174.797 176.300 0.024 0.000 0.989 402 R CA -0.515 55.562 56.100 -0.039 0.000 0.842 402 R CB 0.736 31.027 30.300 -0.016 0.000 1.119 402 R HN 0.673 nan 8.270 nan 0.000 0.456 403 L N 3.807 125.095 121.223 0.107 0.000 2.296 403 L HA 0.414 4.754 4.340 -0.000 0.000 0.286 403 L C -0.375 176.551 176.870 0.093 0.000 1.023 403 L CA -0.645 54.264 54.840 0.116 0.000 0.812 403 L CB 1.966 44.142 42.059 0.195 0.000 1.223 403 L HN 0.710 nan 8.230 nan 0.000 0.421 404 S N 2.184 117.930 115.700 0.075 0.000 2.707 404 S HA 0.624 5.094 4.470 -0.000 0.000 0.303 404 S C -0.395 174.350 174.600 0.241 0.000 1.132 404 S CA -0.865 57.411 58.200 0.126 0.000 1.046 404 S CB 1.400 64.666 63.200 0.110 0.000 1.004 404 S HN 0.401 nan 8.310 nan 0.000 0.483 405 V N 1.152 121.201 119.914 0.224 0.000 3.295 405 V HA 1.029 5.149 4.120 -0.000 0.000 0.308 405 V C 0.591 176.723 176.094 0.063 0.000 1.068 405 V CA 0.058 62.521 62.300 0.271 0.000 1.062 405 V CB 0.791 32.702 31.823 0.147 0.000 1.162 405 V HN 1.114 nan 8.190 nan 0.000 0.456 406 G N 0.238 108.835 108.800 -0.338 0.000 3.105 406 G HA2 0.459 4.419 3.960 -0.000 0.000 0.277 406 G HA3 0.459 4.419 3.960 -0.000 0.000 0.277 406 G C 0.186 174.919 174.900 -0.280 0.000 1.375 406 G CA -0.807 43.782 45.100 -0.852 0.000 0.962 406 G HN 0.718 nan 8.290 nan 0.000 0.541 407 R N -0.446 119.879 120.500 -0.292 0.000 2.105 407 R HA -0.115 4.225 4.340 -0.000 0.000 0.239 407 R C 2.555 178.766 176.300 -0.149 0.000 1.135 407 R CA 1.996 57.951 56.100 -0.242 0.000 0.967 407 R CB -0.188 29.746 30.300 -0.609 0.000 0.861 407 R HN 0.468 nan 8.270 nan 0.000 0.442 408 S N -0.627 115.036 115.700 -0.063 0.000 2.535 408 S HA 0.041 4.511 4.470 -0.000 0.000 0.214 408 S C 0.586 175.285 174.600 0.165 0.000 0.980 408 S CA -0.375 57.844 58.200 0.032 0.000 0.907 408 S CB 0.207 63.457 63.200 0.084 0.000 0.790 408 S HN 0.002 nan 8.310 nan 0.000 0.510 409 T N 4.123 118.808 114.554 0.217 0.000 2.902 409 T HA 0.337 4.687 4.350 -0.000 0.000 0.301 409 T C 0.455 175.303 174.700 0.247 0.000 1.012 409 T CA 0.411 62.651 62.100 0.235 0.000 1.151 409 T CB 0.701 69.692 68.868 0.205 0.000 0.946 409 T HN 0.622 nan 8.240 nan 0.000 0.542 410 T N 0.848 115.501 114.554 0.165 0.000 2.945 410 T HA 0.435 4.785 4.350 -0.000 0.000 0.286 410 T C 1.247 175.982 174.700 0.057 0.000 1.025 410 T CA -1.209 60.954 62.100 0.105 0.000 1.039 410 T CB 1.603 70.522 68.868 0.085 0.000 1.068 410 T HN 0.490 nan 8.240 nan 0.000 0.497 411 R N 0.505 120.984 120.500 -0.035 0.000 2.120 411 R HA -0.009 4.331 4.340 -0.000 0.000 0.234 411 R C 2.646 178.989 176.300 0.071 0.000 1.123 411 R CA 1.213 57.257 56.100 -0.093 0.000 0.975 411 R CB -0.767 29.245 30.300 -0.481 0.000 0.866 411 R HN 0.826 nan 8.270 nan 0.000 0.446 412 A N 1.533 124.378 122.820 0.042 0.000 1.858 412 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 412 A C 1.901 179.540 177.584 0.092 0.000 1.190 412 A CA 1.446 53.523 52.037 0.066 0.000 0.617 412 A CB -0.397 18.631 19.000 0.046 0.000 0.827 412 A HN 0.308 nan 8.150 nan 0.000 0.443 413 E N -0.436 119.821 120.200 0.096 0.000 2.118 413 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 413 E C 1.968 178.638 176.600 0.116 0.000 0.992 413 E CA 1.250 57.714 56.400 0.107 0.000 0.804 413 E CB -0.333 29.443 29.700 0.126 0.000 0.741 413 E HN 0.384 nan 8.360 nan 0.000 0.458 414 V N 2.031 122.033 119.914 0.146 0.000 2.255 414 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 414 V C 1.760 177.920 176.094 0.111 0.000 1.051 414 V CA 2.112 64.503 62.300 0.153 0.000 1.018 414 V CB -0.444 31.546 31.823 0.278 0.000 0.641 414 V HN 0.249 nan 8.190 nan 0.000 0.445 415 D N -0.098 120.391 120.400 0.147 0.000 2.149 415 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 415 D C 2.126 178.456 176.300 0.050 0.000 0.990 415 D CA 1.271 55.323 54.000 0.086 0.000 0.839 415 D CB -0.236 40.626 40.800 0.102 0.000 0.948 415 D HN 0.365 nan 8.370 nan 0.000 0.460 416 L N 0.490 121.750 121.223 0.062 0.000 2.056 416 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 416 L C 2.495 179.394 176.870 0.048 0.000 1.078 416 L CA 0.787 55.658 54.840 0.051 0.000 0.749 416 L CB -0.518 41.576 42.059 0.058 0.000 0.901 416 L HN 0.104 nan 8.230 nan 0.000 0.433 417 I N -3.294 117.310 120.570 0.056 0.000 2.546 417 I HA -0.088 4.082 4.170 -0.000 0.000 0.255 417 I C 2.136 178.281 176.117 0.046 0.000 1.163 417 I CA 1.124 62.457 61.300 0.055 0.000 1.457 417 I CB -0.825 37.214 38.000 0.065 0.000 1.092 417 I HN -0.154 nan 8.210 nan 0.000 0.434 418 V N 0.700 120.627 119.914 0.022 0.000 2.515 418 V HA -0.159 3.961 4.120 -0.000 0.000 0.250 418 V C 2.685 178.790 176.094 0.017 0.000 1.058 418 V CA 1.618 63.924 62.300 0.009 0.000 1.064 418 V CB -0.732 31.056 31.823 -0.058 0.000 0.675 418 V HN 0.488 nan 8.190 nan 0.000 0.461 419 Q N -0.527 119.276 119.800 0.005 0.000 2.123 419 Q HA -0.170 4.170 4.340 -0.000 0.000 0.199 419 Q C 2.051 178.071 176.000 0.034 0.000 0.966 419 Q CA 1.577 57.380 55.803 -0.001 0.000 0.845 419 Q CB -0.484 28.253 28.738 -0.002 0.000 0.907 419 Q HN 0.658 nan 8.270 nan 0.000 0.439 420 D N 0.531 120.959 120.400 0.047 0.000 2.144 420 D HA -0.113 4.527 4.640 -0.000 0.000 0.199 420 D C 1.934 178.285 176.300 0.084 0.000 0.984 420 D CA 0.817 54.851 54.000 0.057 0.000 0.834 420 D CB -0.062 40.771 40.800 0.056 0.000 0.955 420 D HN 0.155 nan 8.370 nan 0.000 0.465 421 L N -0.007 121.285 121.223 0.116 0.000 2.109 421 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 421 L C 2.571 179.598 176.870 0.261 0.000 1.086 421 L CA 0.965 55.910 54.840 0.175 0.000 0.760 421 L CB -0.374 41.806 42.059 0.201 0.000 0.910 421 L HN 0.024 nan 8.230 nan 0.000 0.437 422 K N 0.508 121.049 120.400 0.234 0.000 2.063 422 K HA -0.281 4.039 4.320 -0.000 0.000 0.208 422 K C 2.169 178.840 176.600 0.117 0.000 1.048 422 K CA 1.997 58.385 56.287 0.169 0.000 0.928 422 K CB 0.023 32.493 32.500 -0.049 0.000 0.713 422 K HN 0.335 nan 8.250 nan 0.000 0.442 423 Q N 0.142 119.987 119.800 0.075 0.000 2.172 423 Q HA 0.027 4.367 4.340 -0.000 0.000 0.200 423 Q C 1.784 177.819 176.000 0.058 0.000 0.964 423 Q CA 1.463 57.298 55.803 0.053 0.000 0.855 423 Q CB -0.480 28.279 28.738 0.035 0.000 0.918 423 Q HN 0.305 nan 8.270 nan 0.000 0.444 424 A N 0.881 123.743 122.820 0.070 0.000 1.858 424 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 424 A C 2.368 179.982 177.584 0.050 0.000 1.190 424 A CA 1.682 53.751 52.037 0.053 0.000 0.617 424 A CB -1.018 18.015 19.000 0.056 0.000 0.827 424 A HN 0.250 nan 8.150 nan 0.000 0.443 425 V N 0.962 120.926 119.914 0.082 0.000 2.407 425 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 425 V C 2.299 178.433 176.094 0.067 0.000 1.055 425 V CA 2.184 64.527 62.300 0.073 0.000 1.049 425 V CB -0.984 30.919 31.823 0.135 0.000 0.662 425 V HN 0.555 nan 8.190 nan 0.000 0.455 426 N N 0.432 119.177 118.700 0.074 0.000 2.080 426 N HA -0.161 4.579 4.740 -0.000 0.000 0.189 426 N C 2.149 177.677 175.510 0.030 0.000 1.036 426 N CA 1.854 54.934 53.050 0.049 0.000 0.846 426 N CB -0.815 37.698 38.487 0.043 0.000 1.015 426 N HN 0.617 nan 8.380 nan 0.000 0.423 427 Q N 1.027 120.843 119.800 0.027 0.000 2.181 427 Q HA -0.040 4.300 4.340 -0.000 0.000 0.205 427 Q C 2.346 178.351 176.000 0.010 0.000 0.980 427 Q CA 1.289 57.102 55.803 0.016 0.000 0.862 427 Q CB -0.953 27.794 28.738 0.016 0.000 0.905 427 Q HN 0.429 nan 8.270 nan 0.000 0.429 428 L N -0.700 120.528 121.223 0.008 0.000 2.034 428 L HA 0.037 4.377 4.340 -0.000 0.000 0.203 428 L C 1.396 178.265 176.870 -0.001 0.000 1.074 428 L CA 0.568 55.405 54.840 -0.005 0.000 0.748 428 L CB -0.030 42.017 42.059 -0.020 0.000 0.905 428 L HN 0.426 nan 8.230 nan 0.000 0.439 429 E N 0.000 120.205 120.200 0.008 0.000 2.725 429 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 429 E CA 0.000 56.407 56.400 0.011 0.000 0.976 429 E CB 0.000 29.711 29.700 0.019 0.000 0.812 429 E HN 0.000 nan 8.360 nan 0.000 0.440