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 3d31_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIEIESLSRK WKNFSLDNLS LKVESGEYFV ILGPTGAGKT LFLELIAGFH DATA SEQUENCE VPDSGRILLD GKDVTDLSPE KHDIAFVYQN YSLFPHMNVK KNLEFGMRMK DATA SEQUENCE KIKDPKRVLD TARDLKIEHL LDRNPLTLSG GEQQRVALAR ALVTNPKILL DATA SEQUENCE LDEPLSALDP RTQENAREML SVLHKKNKLT VLHITHDQTE ARIMADRIAV DATA SEQUENCE VMDGKLIQVG KPEEIFEKPV EGRVASFVGF ENVLKGRVIS AEQGLLRIRV DATA SEQUENCE GEVVIDAAGD MEVGDQVYAF LRPENIALSK SSTQSSIRNS LQGRVTEAWV DATA SEQUENCE LGALVRVKVD CGVPLNVLIT RRSAEEMELS PGVQIYARFK ASSVHVLR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.300 176.300 -0.001 0.000 1.140 1 M CA 0.000 55.304 55.300 0.006 0.000 0.988 1 M CB 0.000 32.612 32.600 0.021 0.000 1.302 2 I N 1.779 122.346 120.570 -0.005 0.000 2.304 2 I HA 0.339 4.509 4.170 -0.000 0.000 0.291 2 I C -0.065 176.033 176.117 -0.031 0.000 1.018 2 I CA -0.057 61.239 61.300 -0.007 0.000 1.260 2 I CB 1.175 39.182 38.000 0.012 0.000 1.390 2 I HN 0.197 nan 8.210 nan 0.000 0.475 3 E N 7.384 127.571 120.200 -0.020 0.000 2.241 3 E HA 0.497 4.847 4.350 -0.000 0.000 0.263 3 E C -1.270 175.326 176.600 -0.006 0.000 0.882 3 E CA -0.618 55.768 56.400 -0.024 0.000 0.769 3 E CB 1.781 31.467 29.700 -0.024 0.000 1.185 3 E HN 0.553 nan 8.360 nan 0.000 0.415 4 I N 3.752 124.329 120.570 0.012 0.000 2.331 4 I HA 0.226 4.396 4.170 -0.000 0.000 0.292 4 I C -0.114 176.024 176.117 0.034 0.000 0.998 4 I CA -0.360 60.962 61.300 0.037 0.000 1.267 4 I CB 1.525 39.586 38.000 0.102 0.000 1.386 4 I HN 0.537 nan 8.210 nan 0.000 0.476 5 E N 4.875 125.089 120.200 0.024 0.000 2.141 5 E HA 0.261 4.611 4.350 -0.000 0.000 0.259 5 E C -0.462 176.150 176.600 0.021 0.000 0.883 5 E CA -0.283 56.127 56.400 0.017 0.000 0.744 5 E CB 0.873 30.575 29.700 0.003 0.000 1.150 5 E HN 0.656 nan 8.360 nan 0.000 0.420 6 S N 2.403 118.119 115.700 0.027 0.000 3.550 6 S HA -0.216 4.254 4.470 -0.000 0.000 0.372 6 S C 0.081 174.697 174.600 0.026 0.000 0.966 6 S CA 0.301 58.514 58.200 0.022 0.000 1.229 6 S CB -1.126 62.079 63.200 0.008 0.000 0.917 6 S HN 0.601 nan 8.310 nan 0.000 0.496 7 L N 1.098 122.352 121.223 0.052 0.000 2.418 7 L HA 0.528 4.868 4.340 -0.000 0.000 0.265 7 L C 0.346 177.243 176.870 0.045 0.000 1.143 7 L CA 0.063 54.936 54.840 0.056 0.000 0.809 7 L CB 1.337 43.458 42.059 0.103 0.000 1.124 7 L HN 0.380 nan 8.230 nan 0.000 0.456 8 S N 2.163 117.867 115.700 0.007 0.000 2.582 8 S HA 0.542 5.012 4.470 -0.000 0.000 0.287 8 S C -1.444 173.089 174.600 -0.112 0.000 1.146 8 S CA -0.734 57.443 58.200 -0.038 0.000 0.941 8 S CB 1.879 65.051 63.200 -0.047 0.000 1.115 8 S HN 0.567 nan 8.310 nan 0.000 0.458 9 R N 1.906 122.290 120.500 -0.193 0.000 2.668 9 R HA 0.599 4.939 4.340 -0.000 0.000 0.272 9 R C -2.056 173.949 176.300 -0.491 0.000 1.019 9 R CA -0.531 55.313 56.100 -0.427 0.000 0.894 9 R CB 1.043 30.949 30.300 -0.657 0.000 1.228 9 R HN 0.523 nan 8.270 nan 0.000 0.460 10 K N 3.147 123.222 120.400 -0.541 0.000 2.502 10 K HA 0.389 4.709 4.320 -0.000 0.000 0.254 10 K C -0.856 175.548 176.600 -0.326 0.000 0.947 10 K CA -0.671 55.419 56.287 -0.329 0.000 0.834 10 K CB 1.300 33.700 32.500 -0.167 0.000 1.112 10 K HN 0.371 nan 8.250 nan 0.000 0.427 11 W N 1.584 122.908 121.300 0.040 0.000 2.901 11 W HA 0.324 4.984 4.660 -0.000 0.000 0.436 11 W C 1.139 177.682 176.519 0.040 0.000 1.613 11 W CA -0.693 56.675 57.345 0.038 0.000 1.538 11 W CB 0.459 29.954 29.460 0.059 0.000 1.983 11 W HN 0.433 nan 8.180 nan 0.000 0.692 12 K N 0.659 121.247 120.400 0.314 0.000 2.432 12 K HA -0.076 4.244 4.320 -0.000 0.000 0.196 12 K C 0.954 177.647 176.600 0.154 0.000 1.038 12 K CA 1.021 57.412 56.287 0.174 0.000 0.986 12 K CB 0.126 32.699 32.500 0.123 0.000 0.782 12 K HN 0.364 nan 8.250 nan 0.000 0.485 13 N N -1.103 117.722 118.700 0.209 0.000 2.008 13 N HA -0.028 4.712 4.740 -0.000 0.000 0.228 13 N C -0.486 175.200 175.510 0.293 0.000 1.375 13 N CA -0.278 52.883 53.050 0.184 0.000 0.856 13 N CB 0.354 38.914 38.487 0.122 0.000 1.096 13 N HN -0.065 nan 8.380 nan 0.000 0.489 14 F N 1.995 122.052 119.950 0.179 0.000 2.507 14 F HA 0.644 5.171 4.527 -0.000 0.000 0.325 14 F C -0.839 175.117 175.800 0.259 0.000 1.116 14 F CA -0.730 57.398 58.000 0.213 0.000 0.930 14 F CB 2.159 41.307 39.000 0.248 0.000 1.146 14 F HN -0.176 nan 8.300 nan 0.000 0.447 15 S N 6.211 121.716 115.700 -0.326 0.000 2.552 15 S HA 0.627 5.097 4.470 -0.000 0.000 0.314 15 S C -0.947 173.371 174.600 -0.469 0.000 1.099 15 S CA -0.610 57.426 58.200 -0.274 0.000 1.070 15 S CB 1.117 64.221 63.200 -0.160 0.000 0.998 15 S HN 0.514 nan 8.310 nan 0.000 0.474 16 L N 4.561 125.623 121.223 -0.268 0.000 2.298 16 L HA 0.517 4.857 4.340 -0.000 0.000 0.284 16 L C -0.808 176.008 176.870 -0.090 0.000 1.013 16 L CA -0.677 54.067 54.840 -0.161 0.000 0.824 16 L CB 1.148 43.247 42.059 0.067 0.000 1.221 16 L HN 0.627 nan 8.230 nan 0.000 0.418 17 D N 2.890 123.243 120.400 -0.079 0.000 2.498 17 D HA 0.133 4.773 4.640 -0.000 0.000 0.247 17 D C -0.155 176.135 176.300 -0.017 0.000 1.070 17 D CA -0.759 53.211 54.000 -0.050 0.000 0.842 17 D CB 1.463 42.226 40.800 -0.061 0.000 1.361 17 D HN 0.262 nan 8.370 nan 0.000 0.484 18 N N 1.188 119.886 118.700 -0.003 0.000 2.664 18 N HA -0.189 4.551 4.740 -0.000 0.000 0.296 18 N C -1.269 174.261 175.510 0.034 0.000 1.153 18 N CA 0.430 53.488 53.050 0.012 0.000 0.765 18 N CB -0.779 37.708 38.487 0.000 0.000 0.962 18 N HN 0.543 nan 8.380 nan 0.000 0.564 19 L N 1.484 122.750 121.223 0.071 0.000 2.305 19 L HA 0.421 4.761 4.340 -0.000 0.000 0.284 19 L C -0.079 176.856 176.870 0.109 0.000 1.013 19 L CA -0.477 54.431 54.840 0.113 0.000 0.819 19 L CB 1.530 43.723 42.059 0.224 0.000 1.227 19 L HN 0.191 nan 8.230 nan 0.000 0.417 20 S N 5.047 120.798 115.700 0.085 0.000 2.561 20 S HA 0.807 5.277 4.470 -0.000 0.000 0.303 20 S C -0.678 173.956 174.600 0.056 0.000 1.110 20 S CA -0.542 57.695 58.200 0.061 0.000 1.034 20 S CB 1.698 64.918 63.200 0.034 0.000 1.010 20 S HN 0.371 nan 8.310 nan 0.000 0.482 21 L N 2.310 123.552 121.223 0.031 0.000 2.518 21 L HA 0.580 4.920 4.340 -0.000 0.000 0.257 21 L C -1.101 175.708 176.870 -0.102 0.000 0.980 21 L CA -0.790 54.026 54.840 -0.039 0.000 0.837 21 L CB 2.464 44.509 42.059 -0.023 0.000 1.410 21 L HN 0.439 nan 8.230 nan 0.000 0.410 22 K N 1.778 122.059 120.400 -0.198 0.000 2.613 22 K HA 0.525 4.845 4.320 -0.000 0.000 0.248 22 K C -1.490 174.933 176.600 -0.294 0.000 0.959 22 K CA -0.547 55.635 56.287 -0.175 0.000 0.855 22 K CB 2.615 35.058 32.500 -0.096 0.000 1.143 22 K HN 0.185 nan 8.250 nan 0.000 0.437 23 V N 2.873 122.627 119.914 -0.267 0.000 2.350 23 V HA 0.197 4.317 4.120 -0.000 0.000 0.276 23 V C 0.071 176.123 176.094 -0.070 0.000 1.028 23 V CA -0.708 61.448 62.300 -0.241 0.000 0.860 23 V CB 1.173 32.902 31.823 -0.157 0.000 0.990 23 V HN 0.645 nan 8.190 nan 0.000 0.453 24 E N 2.639 122.827 120.200 -0.020 0.000 2.349 24 E HA 0.351 4.701 4.350 -0.000 0.000 0.265 24 E C 0.389 177.020 176.600 0.052 0.000 1.064 24 E CA -0.043 56.367 56.400 0.017 0.000 0.886 24 E CB 0.870 30.588 29.700 0.029 0.000 1.036 24 E HN 0.870 nan 8.360 nan 0.000 0.413 25 S N 1.766 117.492 115.700 0.044 0.000 2.599 25 S HA 0.146 4.616 4.470 -0.000 0.000 0.303 25 S C 1.280 175.931 174.600 0.086 0.000 1.267 25 S CA 0.058 58.291 58.200 0.056 0.000 1.055 25 S CB 0.210 63.433 63.200 0.038 0.000 0.790 25 S HN 1.006 nan 8.310 nan 0.000 0.500 26 G N 1.328 110.195 108.800 0.113 0.000 2.220 26 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.269 26 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.269 26 G C -0.073 175.041 174.900 0.356 0.000 0.977 26 G CA 0.513 45.704 45.100 0.151 0.000 0.634 26 G HN 1.067 nan 8.290 nan 0.000 0.539 27 E N -0.220 120.153 120.200 0.289 0.000 2.338 27 E HA 0.416 4.766 4.350 -0.000 0.000 0.272 27 E C -0.605 176.187 176.600 0.320 0.000 1.029 27 E CA -0.938 55.660 56.400 0.329 0.000 0.872 27 E CB 0.213 30.050 29.700 0.229 0.000 1.015 27 E HN 0.218 nan 8.360 nan 0.000 0.417 28 Y N 6.111 126.470 120.300 0.098 0.000 2.751 28 Y HA 0.201 4.751 4.550 0.000 0.000 0.333 28 Y C -1.245 174.691 175.900 0.060 0.000 1.122 28 Y CA -0.946 57.066 58.100 -0.146 0.000 1.367 28 Y CB -0.279 37.889 38.460 -0.487 0.000 1.242 28 Y HN 0.430 nan 8.280 nan 0.000 0.505 29 F N 4.327 124.378 119.950 0.168 0.000 2.412 29 F HA 0.506 5.033 4.527 -0.000 0.000 0.348 29 F C -0.694 175.238 175.800 0.220 0.000 1.102 29 F CA -0.512 57.592 58.000 0.174 0.000 1.196 29 F CB 0.669 39.741 39.000 0.121 0.000 1.144 29 F HN 0.037 nan 8.300 nan 0.000 0.541 30 V N 7.711 127.295 119.914 -0.550 0.000 2.444 30 V HA 0.347 4.467 4.120 -0.000 0.000 0.294 30 V C 0.005 175.866 176.094 -0.388 0.000 1.022 30 V CA -0.872 61.264 62.300 -0.274 0.000 0.850 30 V CB 1.524 33.239 31.823 -0.182 0.000 0.992 30 V HN 0.535 nan 8.190 nan 0.000 0.426 31 I N 5.559 126.073 120.570 -0.093 0.000 2.365 31 I HA 0.400 4.570 4.170 -0.000 0.000 0.291 31 I C -0.595 175.520 176.117 -0.004 0.000 1.004 31 I CA -0.370 60.908 61.300 -0.036 0.000 1.311 31 I CB 1.457 39.510 38.000 0.088 0.000 1.401 31 I HN 0.362 nan 8.210 nan 0.000 0.491 32 L N 5.654 126.865 121.223 -0.020 0.000 2.386 32 L HA 0.857 5.197 4.340 -0.000 0.000 0.271 32 L C 0.235 177.117 176.870 0.021 0.000 0.993 32 L CA 0.386 55.253 54.840 0.044 0.000 0.819 32 L CB 1.539 43.638 42.059 0.067 0.000 1.294 32 L HN 0.831 nan 8.230 nan 0.000 0.414 33 G N 3.315 112.168 108.800 0.088 0.000 2.906 33 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.196 33 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.196 33 G C -2.389 172.524 174.900 0.022 0.000 2.215 33 G CA -0.086 44.977 45.100 -0.060 0.000 1.518 33 G HN 0.643 nan 8.290 nan 0.000 0.495 34 P HA 0.252 nan 4.420 nan 0.000 0.271 34 P C -0.624 176.690 177.300 0.023 0.000 1.197 34 P CA 1.059 64.180 63.100 0.035 0.000 0.777 34 P CB 0.238 31.943 31.700 0.008 0.000 0.827 35 T N 1.038 115.572 114.554 -0.033 0.000 2.815 35 T HA 0.472 4.822 4.350 -0.000 0.000 0.289 35 T C 1.168 175.794 174.700 -0.123 0.000 1.000 35 T CA 0.193 62.251 62.100 -0.070 0.000 0.958 35 T CB 1.344 70.174 68.868 -0.064 0.000 0.944 35 T HN 0.749 nan 8.240 nan 0.000 0.442 36 G N 3.773 112.502 108.800 -0.118 0.000 3.282 36 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.367 36 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.367 36 G C 1.651 176.440 174.900 -0.185 0.000 1.377 36 G CA 1.260 46.284 45.100 -0.126 0.000 1.254 36 G HN 1.199 nan 8.290 nan 0.000 0.717 37 A N 0.080 122.778 122.820 -0.204 0.000 1.909 37 A HA -0.011 4.309 4.320 -0.000 0.000 0.221 37 A C 3.038 180.320 177.584 -0.503 0.000 1.223 37 A CA 3.616 55.486 52.037 -0.278 0.000 0.658 37 A CB -1.454 17.424 19.000 -0.203 0.000 0.831 37 A HN 1.993 nan 8.150 nan 0.000 0.462 38 G N -0.305 108.060 108.800 -0.725 0.000 2.556 38 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.215 38 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.215 38 G C 1.513 176.025 174.900 -0.648 0.000 1.258 38 G CA 1.263 45.479 45.100 -1.473 0.000 0.811 38 G HN 0.668 nan 8.290 nan 0.000 0.557 39 K N -0.176 120.045 120.400 -0.297 0.000 2.005 39 K HA -0.234 4.086 4.320 -0.000 0.000 0.229 39 K C 2.400 179.009 176.600 0.015 0.000 1.050 39 K CA 2.222 58.479 56.287 -0.050 0.000 0.994 39 K CB -1.494 30.995 32.500 -0.019 0.000 0.736 39 K HN 0.227 nan 8.250 nan 0.000 0.448 40 T N 1.841 116.370 114.554 -0.043 0.000 2.721 40 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 40 T C 1.926 176.663 174.700 0.060 0.000 1.038 40 T CA 1.574 63.683 62.100 0.015 0.000 1.145 40 T CB -0.249 68.622 68.868 0.005 0.000 0.858 40 T HN 0.171 nan 8.240 nan 0.000 0.459 41 L N -0.746 120.434 121.223 -0.072 0.000 2.068 41 L HA 0.077 4.417 4.340 -0.000 0.000 0.204 41 L C 2.248 179.257 176.870 0.231 0.000 1.076 41 L CA 0.986 55.772 54.840 -0.090 0.000 0.753 41 L CB -0.530 41.113 42.059 -0.694 0.000 0.910 41 L HN 0.166 nan 8.230 nan 0.000 0.439 42 F N 0.784 120.829 119.950 0.157 0.000 2.087 42 F HA -0.314 4.213 4.527 -0.000 0.000 0.299 42 F C 2.297 178.261 175.800 0.274 0.000 1.100 42 F CA 1.674 59.869 58.000 0.324 0.000 1.226 42 F CB -0.250 38.928 39.000 0.297 0.000 0.983 42 F HN -0.095 nan 8.300 nan 0.000 0.479 43 L N -0.198 121.201 121.223 0.294 0.000 2.093 43 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 43 L C 2.412 179.441 176.870 0.265 0.000 1.085 43 L CA 1.629 56.618 54.840 0.249 0.000 0.755 43 L CB -0.552 41.666 42.059 0.265 0.000 0.904 43 L HN 0.225 nan 8.230 nan 0.000 0.435 44 E N -0.294 120.087 120.200 0.303 0.000 2.077 44 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 44 E C 2.032 178.719 176.600 0.146 0.000 0.989 44 E CA 1.185 57.765 56.400 0.299 0.000 0.800 44 E CB -0.186 29.730 29.700 0.360 0.000 0.746 44 E HN 0.282 nan 8.360 nan 0.000 0.452 45 L N 1.386 122.765 121.223 0.260 0.000 2.083 45 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 45 L C 1.981 178.815 176.870 -0.061 0.000 1.083 45 L CA 1.483 56.439 54.840 0.193 0.000 0.752 45 L CB -0.345 41.902 42.059 0.314 0.000 0.899 45 L HN 0.058 nan 8.230 nan 0.000 0.433 46 I N 0.602 121.090 120.570 -0.136 0.000 2.142 46 I HA -0.230 3.940 4.170 -0.000 0.000 0.240 46 I C 2.618 178.576 176.117 -0.265 0.000 1.078 46 I CA 1.538 62.745 61.300 -0.155 0.000 1.343 46 I CB -1.945 35.986 38.000 -0.116 0.000 1.046 46 I HN 0.382 nan 8.210 nan 0.000 0.405 47 A N 0.140 122.716 122.820 -0.407 0.000 2.178 47 A HA 0.105 4.425 4.320 -0.000 0.000 0.218 47 A C 1.721 178.426 177.584 -1.464 0.000 1.157 47 A CA 1.146 52.676 52.037 -0.844 0.000 0.689 47 A CB -0.982 17.396 19.000 -1.036 0.000 0.787 47 A HN 0.743 nan 8.150 nan 0.000 0.465 48 G N -2.398 105.765 108.800 -1.062 0.000 2.303 48 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 48 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 48 G C 0.116 174.547 174.900 -0.782 0.000 1.106 48 G CA 0.202 44.792 45.100 -0.849 0.000 0.900 48 G HN 0.504 nan 8.290 nan 0.000 0.495 49 F N -0.427 119.318 119.950 -0.342 0.000 2.706 49 F HA 0.338 4.865 4.527 -0.000 0.000 0.308 49 F C 1.067 176.567 175.800 -0.500 0.000 1.095 49 F CA -0.230 57.502 58.000 -0.446 0.000 1.244 49 F CB 0.652 39.277 39.000 -0.625 0.000 1.063 49 F HN 0.262 nan 8.300 nan 0.000 0.582 50 H N 0.222 119.417 119.070 0.210 0.000 2.934 50 H HA 0.385 4.941 4.556 -0.000 0.000 0.340 50 H C -0.699 174.704 175.328 0.126 0.000 1.008 50 H CA -0.886 55.310 56.048 0.246 0.000 1.317 50 H CB 1.719 31.775 29.762 0.489 0.000 1.670 50 H HN -0.300 nan 8.280 nan 0.000 0.516 51 V N 5.926 125.954 119.914 0.191 0.000 2.583 51 V HA 0.139 4.259 4.120 -0.000 0.000 0.287 51 V C -1.405 174.715 176.094 0.043 0.000 1.051 51 V CA -1.076 61.278 62.300 0.090 0.000 1.010 51 V CB 1.096 32.954 31.823 0.059 0.000 0.988 51 V HN 0.632 nan 8.190 nan 0.000 0.478 52 P HA 0.160 nan 4.420 nan 0.000 0.282 52 P C -0.115 177.140 177.300 -0.076 0.000 1.286 52 P CA -0.093 62.974 63.100 -0.054 0.000 0.777 52 P CB 1.171 32.853 31.700 -0.030 0.000 1.184 53 D N -1.728 118.610 120.400 -0.102 0.000 2.431 53 D HA 0.035 4.675 4.640 -0.000 0.000 0.235 53 D C 0.597 176.863 176.300 -0.057 0.000 0.980 53 D CA 1.002 54.948 54.000 -0.090 0.000 0.912 53 D CB 0.289 41.018 40.800 -0.118 0.000 1.056 53 D HN 0.462 nan 8.370 nan 0.000 0.494 54 S N -1.076 114.593 115.700 -0.052 0.000 2.556 54 S HA 0.673 5.143 4.470 -0.000 0.000 0.271 54 S C 0.095 174.681 174.600 -0.023 0.000 1.135 54 S CA -0.104 58.076 58.200 -0.033 0.000 0.858 54 S CB 2.916 66.097 63.200 -0.032 0.000 1.114 54 S HN 0.375 nan 8.310 nan 0.000 0.468 55 G N 1.305 110.097 108.800 -0.014 0.000 2.603 55 G HA2 0.220 4.180 3.960 -0.000 0.000 0.686 55 G HA3 0.220 4.180 3.960 -0.000 0.000 0.686 55 G C -1.545 173.351 174.900 -0.006 0.000 1.286 55 G CA -1.047 44.049 45.100 -0.006 0.000 0.871 55 G HN 0.771 nan 8.290 nan 0.000 0.568 56 R N -1.185 119.313 120.500 -0.003 0.000 2.888 56 R HA 0.816 5.156 4.340 -0.000 0.000 0.266 56 R C -0.589 175.708 176.300 -0.006 0.000 1.020 56 R CA -0.941 55.154 56.100 -0.008 0.000 0.963 56 R CB 1.706 31.998 30.300 -0.013 0.000 1.197 56 R HN 0.620 nan 8.270 nan 0.000 0.481 57 I N 2.384 122.946 120.570 -0.012 0.000 2.512 57 I HA 0.323 4.493 4.170 -0.000 0.000 0.287 57 I C -0.992 175.109 176.117 -0.027 0.000 1.069 57 I CA -0.491 60.803 61.300 -0.010 0.000 1.056 57 I CB 1.741 39.747 38.000 0.010 0.000 1.229 57 I HN 0.232 nan 8.210 nan 0.000 0.429 58 L N 7.712 128.922 121.223 -0.023 0.000 2.401 58 L HA 0.509 4.849 4.340 -0.000 0.000 0.263 58 L C -0.773 176.082 176.870 -0.025 0.000 1.004 58 L CA -0.350 54.470 54.840 -0.033 0.000 0.881 58 L CB 1.041 43.083 42.059 -0.028 0.000 1.219 58 L HN 0.370 nan 8.230 nan 0.000 0.441 59 L N 3.231 124.436 121.223 -0.030 0.000 2.276 59 L HA 0.304 4.644 4.340 -0.000 0.000 0.286 59 L C 1.062 177.921 176.870 -0.018 0.000 1.061 59 L CA -0.227 54.607 54.840 -0.011 0.000 0.807 59 L CB 0.887 42.953 42.059 0.011 0.000 1.177 59 L HN 0.722 nan 8.230 nan 0.000 0.429 60 D N 2.824 123.221 120.400 -0.006 0.000 3.077 60 D HA -0.218 4.422 4.640 -0.000 0.000 0.217 60 D C 0.927 177.219 176.300 -0.015 0.000 1.162 60 D CA 1.104 55.100 54.000 -0.006 0.000 0.943 60 D CB -0.223 40.573 40.800 -0.006 0.000 1.122 60 D HN 1.132 nan 8.370 nan 0.000 0.413 61 G N -0.225 108.563 108.800 -0.019 0.000 2.141 61 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 61 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 61 G C -0.014 174.866 174.900 -0.033 0.000 0.982 61 G CA 0.597 45.683 45.100 -0.023 0.000 0.662 61 G HN 0.368 nan 8.290 nan 0.000 0.527 62 K N 0.897 121.270 120.400 -0.046 0.000 2.235 62 K HA 0.388 4.708 4.320 -0.000 0.000 0.266 62 K C -0.649 175.901 176.600 -0.084 0.000 0.980 62 K CA -0.869 55.379 56.287 -0.065 0.000 0.849 62 K CB 1.779 34.232 32.500 -0.078 0.000 1.098 62 K HN 0.230 nan 8.250 nan 0.000 0.445 63 D N 2.525 122.879 120.400 -0.077 0.000 2.342 63 D HA 0.014 4.654 4.640 -0.000 0.000 0.260 63 D C 0.871 177.093 176.300 -0.129 0.000 1.278 63 D CA -0.116 53.836 54.000 -0.081 0.000 0.910 63 D CB 0.476 41.242 40.800 -0.058 0.000 1.079 63 D HN 0.294 nan 8.370 nan 0.000 0.496 64 V N 1.206 121.009 119.914 -0.184 0.000 3.605 64 V HA 0.065 4.185 4.120 -0.000 0.000 0.284 64 V C 2.109 178.066 176.094 -0.228 0.000 1.386 64 V CA 0.540 62.628 62.300 -0.353 0.000 1.053 64 V CB -0.547 30.811 31.823 -0.776 0.000 0.857 64 V HN 0.623 nan 8.190 nan 0.000 0.436 65 T N -0.847 113.657 114.554 -0.084 0.000 2.792 65 T HA -0.300 4.050 4.350 -0.000 0.000 0.268 65 T C 1.034 175.737 174.700 0.006 0.000 1.059 65 T CA 2.363 64.459 62.100 -0.006 0.000 1.136 65 T CB -0.641 68.220 68.868 -0.011 0.000 0.846 65 T HN 0.598 nan 8.240 nan 0.000 0.489 66 D N 0.246 120.630 120.400 -0.027 0.000 2.571 66 D HA 0.387 5.027 4.640 -0.000 0.000 0.239 66 D C 0.423 176.709 176.300 -0.023 0.000 1.267 66 D CA -0.164 53.828 54.000 -0.013 0.000 0.823 66 D CB 0.527 41.317 40.800 -0.018 0.000 1.056 66 D HN 0.439 nan 8.370 nan 0.000 0.494 67 L N -0.448 120.747 121.223 -0.047 0.000 2.585 67 L HA 0.475 4.815 4.340 -0.000 0.000 0.260 67 L C 0.591 177.484 176.870 0.039 0.000 1.085 67 L CA -0.611 54.195 54.840 -0.057 0.000 0.913 67 L CB 0.965 42.910 42.059 -0.189 0.000 1.638 67 L HN -0.243 nan 8.230 nan 0.000 0.531 68 S N -1.069 114.663 115.700 0.054 0.000 2.568 68 S HA 0.355 4.825 4.470 -0.000 0.000 0.302 68 S C -1.958 172.732 174.600 0.151 0.000 1.082 68 S CA -1.158 57.086 58.200 0.074 0.000 1.009 68 S CB 2.091 65.310 63.200 0.032 0.000 1.069 68 S HN 0.258 nan 8.310 nan 0.000 0.500 69 P HA -0.197 nan 4.420 nan 0.000 0.217 69 P C 0.699 177.977 177.300 -0.035 0.000 1.158 69 P CA 1.517 64.468 63.100 -0.248 0.000 0.887 69 P CB 0.082 31.579 31.700 -0.338 0.000 0.792 70 E N -0.394 119.820 120.200 0.022 0.000 2.153 70 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 70 E C 1.797 178.421 176.600 0.040 0.000 0.988 70 E CA 1.161 57.587 56.400 0.044 0.000 0.811 70 E CB -0.587 29.139 29.700 0.043 0.000 0.746 70 E HN 0.323 nan 8.360 nan 0.000 0.466 71 K N -0.224 120.201 120.400 0.043 0.000 2.243 71 K HA 0.021 4.341 4.320 -0.000 0.000 0.201 71 K C 1.920 178.524 176.600 0.008 0.000 1.051 71 K CA 0.573 56.867 56.287 0.011 0.000 0.970 71 K CB -0.028 32.458 32.500 -0.023 0.000 0.755 71 K HN 0.299 nan 8.250 nan 0.000 0.465 72 H N 0.946 119.967 119.070 -0.082 0.000 2.489 72 H HA -0.135 4.421 4.556 -0.000 0.000 0.295 72 H C 0.109 175.406 175.328 -0.052 0.000 1.082 72 H CA 0.884 56.880 56.048 -0.087 0.000 1.295 72 H CB 0.016 29.691 29.762 -0.145 0.000 1.380 72 H HN 0.283 nan 8.280 nan 0.000 0.548 73 D N 0.667 121.117 120.400 0.083 0.000 2.803 73 D HA -0.190 4.450 4.640 -0.000 0.000 0.233 73 D C -0.178 176.160 176.300 0.063 0.000 1.182 73 D CA 0.496 54.530 54.000 0.055 0.000 0.726 73 D CB -1.288 39.531 40.800 0.030 0.000 0.987 73 D HN 0.405 nan 8.370 nan 0.000 0.412 74 I N -0.570 120.042 120.570 0.071 0.000 3.540 74 I HA 0.747 4.917 4.170 -0.000 0.000 0.288 74 I C 0.432 176.613 176.117 0.106 0.000 1.169 74 I CA -1.088 60.260 61.300 0.081 0.000 1.038 74 I CB 1.655 39.699 38.000 0.075 0.000 1.338 74 I HN 0.171 nan 8.210 nan 0.000 0.507 75 A N 1.293 124.190 122.820 0.127 0.000 2.343 75 A HA 0.743 5.063 4.320 -0.000 0.000 0.308 75 A C -1.592 176.119 177.584 0.210 0.000 1.092 75 A CA -0.189 51.934 52.037 0.143 0.000 0.751 75 A CB 0.894 19.948 19.000 0.090 0.000 1.203 75 A HN 0.465 nan 8.150 nan 0.000 0.452 76 F N 2.727 122.692 119.950 0.027 0.000 2.536 76 F HA 0.576 5.103 4.527 0.000 0.000 0.322 76 F C -0.954 174.840 175.800 -0.010 0.000 1.144 76 F CA -0.560 57.427 58.000 -0.021 0.000 0.924 76 F CB 2.233 41.227 39.000 -0.010 0.000 1.181 76 F HN 0.304 nan 8.300 nan 0.000 0.438 77 V N 7.272 126.952 119.914 -0.390 0.000 2.340 77 V HA 0.241 4.361 4.120 -0.000 0.000 0.277 77 V C -0.402 175.476 176.094 -0.360 0.000 1.017 77 V CA -0.853 61.327 62.300 -0.200 0.000 0.820 77 V CB 0.425 32.210 31.823 -0.064 0.000 1.028 77 V HN 0.615 nan 8.190 nan 0.000 0.436 78 Y N 1.769 121.907 120.300 -0.269 0.000 2.641 78 Y HA -0.131 4.419 4.550 -0.000 0.000 0.351 78 Y C 1.909 177.642 175.900 -0.280 0.000 1.269 78 Y CA 1.082 59.027 58.100 -0.259 0.000 1.485 78 Y CB 0.462 38.838 38.460 -0.141 0.000 1.364 78 Y HN 0.675 nan 8.280 nan 0.000 0.651 79 Q N 0.878 120.623 119.800 -0.092 0.000 2.084 79 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 79 Q C -0.109 175.571 176.000 -0.532 0.000 0.978 79 Q CA 1.538 57.208 55.803 -0.223 0.000 0.844 79 Q CB -0.040 28.613 28.738 -0.142 0.000 0.898 79 Q HN 0.606 nan 8.270 nan 0.000 0.426 80 N N 1.498 119.930 118.700 -0.448 0.000 3.322 80 N HA 0.048 4.788 4.740 -0.000 0.000 0.290 80 N C -1.192 174.007 175.510 -0.518 0.000 1.297 80 N CA -0.197 52.477 53.050 -0.626 0.000 1.167 80 N CB -0.075 38.221 38.487 -0.319 0.000 1.434 80 N HN 0.240 nan 8.380 nan 0.000 0.526 81 Y N -0.676 119.617 120.300 -0.011 0.000 2.421 81 Y HA -0.221 4.330 4.550 -0.000 0.000 0.424 81 Y C 0.780 176.638 175.900 -0.071 0.000 1.157 81 Y CA -0.237 57.854 58.100 -0.016 0.000 1.624 81 Y CB -1.490 36.958 38.460 -0.020 0.000 1.127 81 Y HN 0.111 nan 8.280 nan 0.000 0.443 82 S N 5.004 120.694 115.700 -0.016 0.000 4.117 82 S HA 0.191 4.661 4.470 -0.000 0.000 0.191 82 S C 0.439 174.854 174.600 -0.310 0.000 1.308 82 S CA -0.538 57.544 58.200 -0.197 0.000 0.906 82 S CB -0.732 62.286 63.200 -0.303 0.000 1.565 82 S HN 0.465 nan 8.310 nan 0.000 0.439 83 L N 1.782 122.909 121.223 -0.161 0.000 2.426 83 L HA 0.287 4.627 4.340 -0.000 0.000 0.271 83 L C -0.065 176.655 176.870 -0.250 0.000 1.169 83 L CA -0.358 54.393 54.840 -0.149 0.000 0.836 83 L CB 0.126 42.182 42.059 -0.005 0.000 1.112 83 L HN 0.348 nan 8.230 nan 0.000 0.465 84 F N 3.605 123.500 119.950 -0.093 0.000 2.438 84 F HA 0.185 4.712 4.527 -0.000 0.000 0.360 84 F C -1.025 174.731 175.800 -0.074 0.000 1.118 84 F CA -1.756 56.181 58.000 -0.105 0.000 1.164 84 F CB 0.107 38.931 39.000 -0.294 0.000 1.131 84 F HN 0.390 nan 8.300 nan 0.000 0.527 85 P HA -0.188 nan 4.420 nan 0.000 0.228 85 P C 0.475 177.882 177.300 0.177 0.000 1.151 85 P CA 1.396 64.580 63.100 0.140 0.000 0.770 85 P CB -0.118 31.647 31.700 0.108 0.000 0.786 86 H N -1.406 117.703 119.070 0.064 0.000 2.524 86 H HA 0.586 5.142 4.556 -0.000 0.000 0.297 86 H C -0.143 175.210 175.328 0.041 0.000 1.115 86 H CA -0.676 55.398 56.048 0.044 0.000 1.027 86 H CB -0.718 29.068 29.762 0.040 0.000 1.591 86 H HN 0.114 nan 8.280 nan 0.000 0.543 87 M N 1.846 121.367 119.600 -0.131 0.000 2.274 87 M HA 0.122 4.602 4.480 -0.000 0.000 0.272 87 M C -0.955 175.316 176.300 -0.048 0.000 1.053 87 M CA -0.767 54.455 55.300 -0.129 0.000 0.978 87 M CB 2.455 34.916 32.600 -0.231 0.000 1.836 87 M HN 0.204 nan 8.290 nan 0.000 0.484 88 N N 1.543 120.227 118.700 -0.027 0.000 2.374 88 N HA 0.155 4.895 4.740 -0.000 0.000 0.241 88 N C 0.664 176.165 175.510 -0.014 0.000 1.262 88 N CA -0.480 52.560 53.050 -0.016 0.000 0.880 88 N CB 0.601 39.081 38.487 -0.012 0.000 1.105 88 N HN 0.430 nan 8.380 nan 0.000 0.438 89 V N 1.150 121.056 119.914 -0.014 0.000 2.243 89 V HA -0.429 3.691 4.120 -0.000 0.000 0.258 89 V C 2.566 178.663 176.094 0.005 0.000 1.073 89 V CA 2.709 65.004 62.300 -0.008 0.000 1.069 89 V CB -1.032 30.773 31.823 -0.029 0.000 0.681 89 V HN 0.967 nan 8.190 nan 0.000 0.457 90 K N -0.173 120.227 120.400 -0.001 0.000 2.032 90 K HA -0.320 4.000 4.320 -0.000 0.000 0.218 90 K C 2.231 178.839 176.600 0.013 0.000 1.054 90 K CA 2.482 58.774 56.287 0.008 0.000 0.941 90 K CB -0.303 32.199 32.500 0.003 0.000 0.720 90 K HN 0.478 nan 8.250 nan 0.000 0.449 91 K N 0.312 120.712 120.400 0.001 0.000 2.127 91 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 91 K C 2.062 178.668 176.600 0.009 0.000 1.047 91 K CA 1.741 58.025 56.287 -0.005 0.000 0.927 91 K CB -0.218 32.262 32.500 -0.034 0.000 0.716 91 K HN 0.338 nan 8.250 nan 0.000 0.450 92 N N 0.855 119.562 118.700 0.011 0.000 2.039 92 N HA -0.149 4.591 4.740 -0.000 0.000 0.193 92 N C 1.971 177.546 175.510 0.108 0.000 1.044 92 N CA 1.221 54.299 53.050 0.048 0.000 0.847 92 N CB -0.227 38.319 38.487 0.098 0.000 1.030 92 N HN 0.085 nan 8.380 nan 0.000 0.422 93 L N 1.962 123.237 121.223 0.085 0.000 2.010 93 L HA -0.245 4.095 4.340 -0.000 0.000 0.219 93 L C 2.425 179.351 176.870 0.094 0.000 1.077 93 L CA 1.451 56.344 54.840 0.088 0.000 0.773 93 L CB -0.690 41.402 42.059 0.056 0.000 0.892 93 L HN 0.242 nan 8.230 nan 0.000 0.436 94 E N -0.224 120.017 120.200 0.068 0.000 2.049 94 E HA -0.299 4.051 4.350 -0.000 0.000 0.198 94 E C 2.044 178.674 176.600 0.050 0.000 1.007 94 E CA 1.744 58.170 56.400 0.044 0.000 0.809 94 E CB -0.626 29.088 29.700 0.023 0.000 0.749 94 E HN 0.368 nan 8.360 nan 0.000 0.450 95 F N 1.635 121.535 119.950 -0.082 0.000 2.064 95 F HA -0.337 4.190 4.527 -0.000 0.000 0.292 95 F C 2.435 178.199 175.800 -0.060 0.000 1.107 95 F CA 2.485 60.412 58.000 -0.121 0.000 1.243 95 F CB -0.988 37.873 39.000 -0.232 0.000 0.949 95 F HN 0.094 nan 8.300 nan 0.000 0.506 96 G N 0.075 108.954 108.800 0.131 0.000 2.505 96 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.220 96 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.220 96 G C 1.535 176.396 174.900 -0.064 0.000 1.145 96 G CA 1.349 46.479 45.100 0.050 0.000 0.761 96 G HN 0.345 nan 8.290 nan 0.000 0.571 97 M N 0.278 119.850 119.600 -0.045 0.000 2.126 97 M HA -0.032 4.448 4.480 -0.000 0.000 0.259 97 M C 2.677 178.912 176.300 -0.108 0.000 1.073 97 M CA 1.459 56.726 55.300 -0.055 0.000 1.103 97 M CB -1.375 31.207 32.600 -0.029 0.000 1.284 97 M HN 0.205 nan 8.290 nan 0.000 0.420 98 R N -0.414 120.001 120.500 -0.142 0.000 2.174 98 R HA -0.188 4.152 4.340 -0.000 0.000 0.253 98 R C 2.151 178.317 176.300 -0.222 0.000 1.165 98 R CA 1.393 57.390 56.100 -0.171 0.000 0.984 98 R CB -0.403 29.780 30.300 -0.196 0.000 0.873 98 R HN 0.372 nan 8.270 nan 0.000 0.456 99 M N 0.508 119.915 119.600 -0.322 0.000 2.132 99 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 99 M C 1.429 177.638 176.300 -0.152 0.000 1.065 99 M CA 1.723 56.840 55.300 -0.304 0.000 1.122 99 M CB -0.358 31.999 32.600 -0.405 0.000 1.365 99 M HN 0.041 nan 8.290 nan 0.000 0.411 100 K N 0.169 120.504 120.400 -0.108 0.000 2.397 100 K HA 0.074 4.394 4.320 -0.000 0.000 0.202 100 K C -0.392 176.176 176.600 -0.052 0.000 1.022 100 K CA -0.188 56.063 56.287 -0.061 0.000 1.141 100 K CB 0.538 33.016 32.500 -0.035 0.000 0.857 100 K HN 0.041 nan 8.250 nan 0.000 0.514 101 K N 1.149 121.509 120.400 -0.067 0.000 4.868 101 K HA -0.178 4.142 4.320 -0.000 0.000 0.324 101 K C -0.593 175.985 176.600 -0.037 0.000 0.971 101 K CA 0.854 57.110 56.287 -0.052 0.000 1.034 101 K CB -1.718 30.756 32.500 -0.043 0.000 1.672 101 K HN 0.321 nan 8.250 nan 0.000 0.426 102 I N 0.427 120.975 120.570 -0.037 0.000 2.957 102 I HA 0.278 4.448 4.170 -0.000 0.000 0.310 102 I C 1.412 177.517 176.117 -0.020 0.000 1.063 102 I CA -0.982 60.304 61.300 -0.023 0.000 1.033 102 I CB 1.971 39.961 38.000 -0.017 0.000 1.230 102 I HN 0.146 nan 8.210 nan 0.000 0.447 103 K N 0.080 120.472 120.400 -0.013 0.000 2.273 103 K HA 0.089 4.409 4.320 -0.000 0.000 0.206 103 K C 0.001 176.597 176.600 -0.006 0.000 1.072 103 K CA -0.109 56.172 56.287 -0.010 0.000 0.953 103 K CB 0.125 32.619 32.500 -0.008 0.000 1.043 103 K HN 0.479 nan 8.250 nan 0.000 0.477 104 D N 2.887 123.286 120.400 -0.002 0.000 2.660 104 D HA -0.051 4.589 4.640 -0.000 0.000 0.253 104 D C -1.944 174.359 176.300 0.004 0.000 1.256 104 D CA -0.410 53.591 54.000 0.002 0.000 0.914 104 D CB 0.942 41.744 40.800 0.004 0.000 1.137 104 D HN 0.011 nan 8.370 nan 0.000 0.542 105 P HA 0.031 nan 4.420 nan 0.000 0.240 105 P C 1.220 178.526 177.300 0.010 0.000 1.190 105 P CA 0.289 63.393 63.100 0.006 0.000 0.781 105 P CB 0.517 32.220 31.700 0.005 0.000 0.931 106 K N 0.004 120.410 120.400 0.009 0.000 1.985 106 K HA -0.149 4.171 4.320 -0.000 0.000 0.210 106 K C 2.214 178.823 176.600 0.014 0.000 1.047 106 K CA 1.245 57.539 56.287 0.011 0.000 0.932 106 K CB -0.256 32.250 32.500 0.010 0.000 0.716 106 K HN -0.166 nan 8.250 nan 0.000 0.439 107 R N 1.165 121.674 120.500 0.015 0.000 2.140 107 R HA -0.178 4.162 4.340 -0.000 0.000 0.250 107 R C 1.964 178.278 176.300 0.023 0.000 1.150 107 R CA 1.659 57.770 56.100 0.019 0.000 0.966 107 R CB -0.846 29.465 30.300 0.018 0.000 0.869 107 R HN 0.059 nan 8.270 nan 0.000 0.445 108 V N 0.227 120.153 119.914 0.021 0.000 2.270 108 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 108 V C 2.349 178.457 176.094 0.024 0.000 1.043 108 V CA 1.945 64.259 62.300 0.024 0.000 1.014 108 V CB -0.499 31.336 31.823 0.020 0.000 0.645 108 V HN 0.280 nan 8.190 nan 0.000 0.447 109 L N -0.046 121.189 121.223 0.020 0.000 2.141 109 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 109 L C 2.336 179.220 176.870 0.024 0.000 1.094 109 L CA 1.353 56.206 54.840 0.021 0.000 0.763 109 L CB -0.726 41.343 42.059 0.018 0.000 0.908 109 L HN 0.371 nan 8.230 nan 0.000 0.437 110 D N -0.681 119.732 120.400 0.022 0.000 2.123 110 D HA -0.121 4.519 4.640 -0.000 0.000 0.200 110 D C 2.189 178.506 176.300 0.028 0.000 0.976 110 D CA 1.468 55.482 54.000 0.023 0.000 0.831 110 D CB -0.200 40.613 40.800 0.021 0.000 0.974 110 D HN 0.211 nan 8.370 nan 0.000 0.469 111 T N 1.020 115.592 114.554 0.030 0.000 2.746 111 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 111 T C 2.051 176.773 174.700 0.036 0.000 1.039 111 T CA 1.477 63.598 62.100 0.035 0.000 1.142 111 T CB -0.277 68.614 68.868 0.039 0.000 0.866 111 T HN 0.185 nan 8.240 nan 0.000 0.444 112 A N 1.685 124.525 122.820 0.035 0.000 1.978 112 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 112 A C 2.375 179.985 177.584 0.043 0.000 1.170 112 A CA 1.479 53.538 52.037 0.037 0.000 0.636 112 A CB -0.443 18.577 19.000 0.033 0.000 0.810 112 A HN 0.435 nan 8.150 nan 0.000 0.448 113 R N -0.470 120.053 120.500 0.038 0.000 2.057 113 R HA -0.072 4.268 4.340 -0.000 0.000 0.229 113 R C 1.699 178.020 176.300 0.036 0.000 1.136 113 R CA 1.200 57.322 56.100 0.037 0.000 0.952 113 R CB -0.512 29.805 30.300 0.028 0.000 0.848 113 R HN 0.439 nan 8.270 nan 0.000 0.430 114 D N 0.883 121.303 120.400 0.034 0.000 2.220 114 D HA -0.191 4.449 4.640 -0.000 0.000 0.198 114 D C 1.397 177.719 176.300 0.038 0.000 1.001 114 D CA 1.324 55.345 54.000 0.035 0.000 0.875 114 D CB 0.065 40.887 40.800 0.036 0.000 0.921 114 D HN 0.250 nan 8.370 nan 0.000 0.454 115 L N -0.245 121.003 121.223 0.041 0.000 2.769 115 L HA 0.142 4.482 4.340 -0.000 0.000 0.240 115 L C 0.216 177.117 176.870 0.051 0.000 1.163 115 L CA -0.142 54.723 54.840 0.041 0.000 0.962 115 L CB 0.147 42.228 42.059 0.036 0.000 1.258 115 L HN -0.121 nan 8.230 nan 0.000 0.513 116 K N 0.714 121.148 120.400 0.056 0.000 3.077 116 K HA -0.196 4.124 4.320 -0.000 0.000 0.264 116 K C 0.635 177.336 176.600 0.168 0.000 1.008 116 K CA 0.585 56.919 56.287 0.077 0.000 0.740 116 K CB -1.492 31.035 32.500 0.045 0.000 1.273 116 K HN 0.465 nan 8.250 nan 0.000 0.477 117 I N -2.263 118.388 120.570 0.136 0.000 4.018 117 I HA -0.004 4.165 4.170 -0.000 0.000 0.337 117 I C 1.716 177.898 176.117 0.108 0.000 1.327 117 I CA -0.426 60.939 61.300 0.109 0.000 1.100 117 I CB 0.036 38.043 38.000 0.012 0.000 1.025 117 I HN 0.132 nan 8.210 nan 0.000 0.396 118 E N 2.104 122.394 120.200 0.150 0.000 2.136 118 E HA -0.334 4.016 4.350 -0.000 0.000 0.208 118 E C 1.822 178.495 176.600 0.120 0.000 1.035 118 E CA 2.589 59.055 56.400 0.110 0.000 0.838 118 E CB -0.543 29.215 29.700 0.097 0.000 0.748 118 E HN 0.820 nan 8.360 nan 0.000 0.459 119 H N -0.786 118.284 119.070 -0.000 0.000 2.521 119 H HA 0.029 4.585 4.556 -0.000 0.000 0.286 119 H C 1.760 177.086 175.328 -0.002 0.000 1.034 119 H CA 0.671 56.718 56.048 -0.001 0.000 1.278 119 H CB -0.049 29.712 29.762 -0.002 0.000 1.386 119 H HN 0.124 nan 8.280 nan 0.000 0.567 120 L N -0.134 120.844 121.223 -0.408 0.000 2.638 120 L HA 0.093 4.433 4.340 -0.000 0.000 0.232 120 L C 1.758 178.543 176.870 -0.141 0.000 1.099 120 L CA -0.135 54.507 54.840 -0.330 0.000 0.883 120 L CB 0.076 41.885 42.059 -0.417 0.000 1.136 120 L HN 0.205 nan 8.230 nan 0.000 0.492 121 L N 0.936 122.108 121.223 -0.085 0.000 2.256 121 L HA -0.319 4.021 4.340 -0.000 0.000 0.218 121 L C 1.671 178.524 176.870 -0.029 0.000 1.089 121 L CA 2.090 56.908 54.840 -0.036 0.000 0.777 121 L CB -0.347 41.708 42.059 -0.008 0.000 0.890 121 L HN 0.268 nan 8.230 nan 0.000 0.439 122 D N -1.972 118.408 120.400 -0.034 0.000 2.338 122 D HA 0.049 4.689 4.640 -0.000 0.000 0.208 122 D C 0.975 177.259 176.300 -0.027 0.000 0.997 122 D CA 0.113 54.100 54.000 -0.023 0.000 0.880 122 D CB 0.300 41.091 40.800 -0.014 0.000 0.980 122 D HN 0.260 nan 8.370 nan 0.000 0.509 123 R N 0.503 120.977 120.500 -0.044 0.000 2.863 123 R HA 0.197 4.537 4.340 -0.000 0.000 0.273 123 R C -0.096 176.186 176.300 -0.029 0.000 1.057 123 R CA -0.064 56.013 56.100 -0.039 0.000 1.191 123 R CB 0.258 30.523 30.300 -0.059 0.000 1.104 123 R HN 0.076 nan 8.270 nan 0.000 0.519 124 N N 1.850 120.538 118.700 -0.020 0.000 2.422 124 N HA 0.106 4.846 4.740 -0.000 0.000 0.266 124 N C -1.942 173.562 175.510 -0.010 0.000 1.007 124 N CA -1.603 51.442 53.050 -0.009 0.000 0.941 124 N CB 1.511 40.000 38.487 0.003 0.000 1.115 124 N HN 0.296 nan 8.380 nan 0.000 0.492 125 P HA -0.238 nan 4.420 nan 0.000 0.228 125 P C 1.239 178.536 177.300 -0.004 0.000 1.153 125 P CA 1.297 64.394 63.100 -0.005 0.000 0.897 125 P CB 0.354 32.061 31.700 0.011 0.000 0.782 126 L N -1.995 119.229 121.223 0.002 0.000 2.395 126 L HA -0.037 4.303 4.340 -0.000 0.000 0.218 126 L C 1.828 178.696 176.870 -0.003 0.000 1.130 126 L CA 1.601 56.442 54.840 0.002 0.000 0.826 126 L CB -0.822 41.240 42.059 0.006 0.000 0.941 126 L HN 0.148 nan 8.230 nan 0.000 0.451 127 T N -2.941 111.607 114.554 -0.010 0.000 3.107 127 T HA 0.217 4.567 4.350 -0.000 0.000 0.249 127 T C 0.683 175.370 174.700 -0.023 0.000 1.096 127 T CA -0.152 61.940 62.100 -0.014 0.000 1.012 127 T CB -0.148 68.711 68.868 -0.015 0.000 0.977 127 T HN 0.011 nan 8.240 nan 0.000 0.527 128 L N 2.721 123.926 121.223 -0.031 0.000 2.375 128 L HA 0.491 4.831 4.340 -0.000 0.000 0.271 128 L C 0.925 177.770 176.870 -0.041 0.000 1.107 128 L CA -0.931 53.880 54.840 -0.049 0.000 0.806 128 L CB 1.035 43.052 42.059 -0.071 0.000 1.146 128 L HN 0.254 nan 8.230 nan 0.000 0.447 129 S N 0.822 116.494 115.700 -0.047 0.000 2.681 129 S HA 0.343 4.813 4.470 -0.000 0.000 0.270 129 S C 1.183 175.737 174.600 -0.077 0.000 1.209 129 S CA -0.226 57.952 58.200 -0.036 0.000 0.988 129 S CB 1.342 64.528 63.200 -0.022 0.000 1.006 129 S HN 0.782 nan 8.310 nan 0.000 0.558 130 G N 1.080 109.857 108.800 -0.038 0.000 2.764 130 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 130 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 130 G C 1.446 176.165 174.900 -0.302 0.000 1.259 130 G CA 1.103 46.160 45.100 -0.071 0.000 0.793 130 G HN 1.169 nan 8.290 nan 0.000 0.633 131 G N 0.462 109.166 108.800 -0.160 0.000 2.529 131 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 131 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 131 G C 1.638 176.419 174.900 -0.198 0.000 1.177 131 G CA 1.398 46.400 45.100 -0.163 0.000 0.773 131 G HN 0.587 nan 8.290 nan 0.000 0.573 132 E N 0.078 120.194 120.200 -0.140 0.000 2.086 132 E HA -0.244 4.106 4.350 -0.000 0.000 0.200 132 E C 2.670 179.158 176.600 -0.188 0.000 1.012 132 E CA 1.471 57.797 56.400 -0.123 0.000 0.812 132 E CB -0.209 29.435 29.700 -0.095 0.000 0.743 132 E HN 0.573 nan 8.360 nan 0.000 0.453 133 Q N 0.384 120.016 119.800 -0.279 0.000 2.020 133 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 133 Q C 2.355 178.064 176.000 -0.484 0.000 0.982 133 Q CA 1.443 57.042 55.803 -0.340 0.000 0.838 133 Q CB -0.216 28.308 28.738 -0.356 0.000 0.899 133 Q HN 0.309 nan 8.270 nan 0.000 0.423 134 Q N 0.537 119.792 119.800 -0.907 0.000 2.133 134 Q HA -0.231 4.109 4.340 -0.000 0.000 0.208 134 Q C 2.065 177.952 176.000 -0.188 0.000 0.991 134 Q CA 1.416 56.841 55.803 -0.629 0.000 0.867 134 Q CB 0.117 28.564 28.738 -0.484 0.000 0.911 134 Q HN 0.220 nan 8.270 nan 0.000 0.417 135 R N -0.402 120.004 120.500 -0.156 0.000 2.070 135 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 135 R C 2.404 178.685 176.300 -0.033 0.000 1.138 135 R CA 1.547 57.613 56.100 -0.057 0.000 0.936 135 R CB -1.013 29.263 30.300 -0.040 0.000 0.839 135 R HN 0.211 nan 8.270 nan 0.000 0.429 136 V N 1.875 121.757 119.914 -0.053 0.000 2.317 136 V HA -0.322 3.798 4.120 -0.000 0.000 0.251 136 V C 2.632 178.738 176.094 0.019 0.000 1.065 136 V CA 2.037 64.326 62.300 -0.019 0.000 1.049 136 V CB -0.991 30.810 31.823 -0.037 0.000 0.651 136 V HN 0.423 nan 8.190 nan 0.000 0.450 137 A N -0.125 122.701 122.820 0.010 0.000 1.834 137 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 137 A C 2.199 179.831 177.584 0.080 0.000 1.203 137 A CA 2.203 54.283 52.037 0.072 0.000 0.621 137 A CB -0.784 18.286 19.000 0.116 0.000 0.841 137 A HN 0.470 nan 8.150 nan 0.000 0.446 138 L N -0.656 120.601 121.223 0.057 0.000 2.081 138 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 138 L C 3.058 179.965 176.870 0.062 0.000 1.080 138 L CA 1.092 55.966 54.840 0.057 0.000 0.754 138 L CB -0.628 41.456 42.059 0.043 0.000 0.893 138 L HN 0.516 nan 8.230 nan 0.000 0.433 139 A N 1.290 124.142 122.820 0.053 0.000 1.834 139 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 139 A C 2.326 179.955 177.584 0.076 0.000 1.203 139 A CA 2.272 54.342 52.037 0.056 0.000 0.621 139 A CB -0.734 18.291 19.000 0.043 0.000 0.841 139 A HN 0.549 nan 8.150 nan 0.000 0.446 140 R N -0.405 120.152 120.500 0.095 0.000 2.152 140 R HA 0.123 4.463 4.340 -0.000 0.000 0.232 140 R C 2.009 178.396 176.300 0.145 0.000 1.117 140 R CA 1.518 57.694 56.100 0.128 0.000 0.981 140 R CB -0.601 29.799 30.300 0.167 0.000 0.870 140 R HN 0.344 nan 8.270 nan 0.000 0.451 141 A N 1.362 124.265 122.820 0.138 0.000 2.015 141 A HA 0.052 4.372 4.320 -0.000 0.000 0.219 141 A C 1.864 179.516 177.584 0.114 0.000 1.163 141 A CA 0.813 52.937 52.037 0.145 0.000 0.646 141 A CB -0.114 18.965 19.000 0.132 0.000 0.806 141 A HN 0.351 nan 8.150 nan 0.000 0.448 142 L N -0.388 120.890 121.223 0.091 0.000 2.910 142 L HA 0.133 4.473 4.340 -0.000 0.000 0.252 142 L C 1.226 178.135 176.870 0.066 0.000 1.195 142 L CA -0.265 54.619 54.840 0.074 0.000 1.003 142 L CB 0.804 42.901 42.059 0.063 0.000 1.328 142 L HN 0.141 nan 8.230 nan 0.000 0.540 143 V N -0.971 118.986 119.914 0.072 0.000 2.649 143 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 143 V C 2.214 178.337 176.094 0.049 0.000 1.054 143 V CA 1.727 64.061 62.300 0.058 0.000 1.073 143 V CB -0.114 31.747 31.823 0.062 0.000 0.699 143 V HN 0.430 nan 8.190 nan 0.000 0.463 144 T N 0.263 114.851 114.554 0.056 0.000 3.163 144 T HA -0.054 4.296 4.350 -0.000 0.000 0.260 144 T C 0.960 175.684 174.700 0.040 0.000 1.156 144 T CA 0.685 62.812 62.100 0.044 0.000 1.072 144 T CB -0.606 68.294 68.868 0.053 0.000 0.937 144 T HN 0.514 nan 8.240 nan 0.000 0.528 145 N N 1.998 120.725 118.700 0.044 0.000 2.642 145 N HA -0.111 4.629 4.740 -0.000 0.000 0.269 145 N C -2.872 172.662 175.510 0.039 0.000 1.073 145 N CA 0.116 53.190 53.050 0.040 0.000 0.748 145 N CB -0.389 38.117 38.487 0.032 0.000 0.894 145 N HN 0.254 nan 8.380 nan 0.000 0.548 146 P HA 0.303 nan 4.420 nan 0.000 0.297 146 P C 0.635 177.960 177.300 0.042 0.000 1.307 146 P CA -0.418 62.709 63.100 0.044 0.000 0.773 146 P CB 0.699 32.432 31.700 0.055 0.000 1.265 147 K N -0.819 119.605 120.400 0.040 0.000 2.350 147 K HA 0.288 4.608 4.320 -0.000 0.000 0.196 147 K C 0.460 177.087 176.600 0.044 0.000 1.084 147 K CA 0.269 56.580 56.287 0.040 0.000 0.967 147 K CB 0.230 32.750 32.500 0.034 0.000 0.950 147 K HN 0.285 nan 8.250 nan 0.000 0.512 148 I N 2.839 123.435 120.570 0.043 0.000 2.312 148 I HA 0.090 4.260 4.170 -0.000 0.000 0.291 148 I C -0.931 175.211 176.117 0.041 0.000 1.031 148 I CA -0.711 60.614 61.300 0.041 0.000 1.293 148 I CB 0.988 39.016 38.000 0.046 0.000 1.403 148 I HN -0.025 nan 8.210 nan 0.000 0.484 149 L N 8.908 130.138 121.223 0.012 0.000 2.301 149 L HA 0.448 4.788 4.340 -0.000 0.000 0.278 149 L C -0.825 176.015 176.870 -0.049 0.000 1.022 149 L CA -0.136 54.698 54.840 -0.009 0.000 0.854 149 L CB 0.770 42.809 42.059 -0.032 0.000 1.226 149 L HN 0.428 nan 8.230 nan 0.000 0.429 150 L N 6.402 127.618 121.223 -0.012 0.000 2.278 150 L HA 0.444 4.784 4.340 -0.000 0.000 0.287 150 L C -0.625 176.088 176.870 -0.261 0.000 1.072 150 L CA -0.197 54.610 54.840 -0.055 0.000 0.819 150 L CB 0.772 42.908 42.059 0.129 0.000 1.176 150 L HN 0.552 nan 8.230 nan 0.000 0.435 151 L N 3.595 124.651 121.223 -0.279 0.000 2.354 151 L HA 0.596 4.936 4.340 -0.000 0.000 0.269 151 L C -0.750 175.891 176.870 -0.382 0.000 1.005 151 L CA -0.779 53.837 54.840 -0.375 0.000 0.819 151 L CB 2.365 44.217 42.059 -0.345 0.000 1.311 151 L HN 0.553 nan 8.230 nan 0.000 0.423 152 D N 2.376 122.543 120.400 -0.387 0.000 2.787 152 D HA 0.118 4.758 4.640 -0.000 0.000 0.246 152 D C -0.287 175.899 176.300 -0.190 0.000 1.150 152 D CA -0.330 53.515 54.000 -0.258 0.000 0.864 152 D CB 1.966 42.616 40.800 -0.249 0.000 1.481 152 D HN 0.525 nan 8.370 nan 0.000 0.509 153 E N 1.822 121.964 120.200 -0.097 0.000 2.103 153 E HA -0.169 4.181 4.350 -0.000 0.000 0.186 153 E C -1.706 174.869 176.600 -0.041 0.000 1.392 153 E CA 0.275 56.667 56.400 -0.012 0.000 0.691 153 E CB -0.855 28.859 29.700 0.023 0.000 1.068 153 E HN 0.546 nan 8.360 nan 0.000 0.328 154 P HA -0.042 nan 4.420 nan 0.000 0.229 154 P C 1.388 178.728 177.300 0.066 0.000 1.160 154 P CA 0.680 63.768 63.100 -0.020 0.000 0.777 154 P CB 0.276 31.924 31.700 -0.088 0.000 0.814 155 L N -1.178 120.095 121.223 0.083 0.000 2.488 155 L HA 0.050 4.390 4.340 -0.000 0.000 0.186 155 L C 2.398 179.297 176.870 0.049 0.000 1.124 155 L CA 1.014 55.901 54.840 0.077 0.000 0.838 155 L CB -1.467 40.644 42.059 0.086 0.000 1.107 155 L HN -0.092 nan 8.230 nan 0.000 0.494 156 S N 1.322 117.044 115.700 0.035 0.000 2.448 156 S HA -0.252 4.218 4.470 -0.000 0.000 0.247 156 S C 1.478 176.106 174.600 0.047 0.000 1.033 156 S CA 1.290 59.503 58.200 0.022 0.000 1.003 156 S CB -0.587 62.628 63.200 0.024 0.000 0.786 156 S HN 0.386 nan 8.310 nan 0.000 0.495 157 A N 0.612 123.462 122.820 0.051 0.000 2.684 157 A HA 0.688 5.008 4.320 -0.000 0.000 0.288 157 A C 0.264 177.881 177.584 0.054 0.000 1.337 157 A CA -0.610 51.453 52.037 0.044 0.000 0.946 157 A CB -0.183 18.829 19.000 0.021 0.000 1.093 157 A HN 0.521 nan 8.150 nan 0.000 0.543 158 L N -0.818 120.435 121.223 0.050 0.000 2.279 158 L HA 0.420 4.760 4.340 -0.000 0.000 0.262 158 L C -0.830 176.056 176.870 0.027 0.000 1.019 158 L CA -1.329 53.542 54.840 0.052 0.000 0.823 158 L CB 1.333 43.426 42.059 0.058 0.000 1.358 158 L HN 0.079 nan 8.230 nan 0.000 0.432 159 D N 1.347 121.761 120.400 0.023 0.000 2.424 159 D HA 0.073 4.713 4.640 -0.000 0.000 0.244 159 D C -1.693 174.609 176.300 0.004 0.000 1.134 159 D CA -1.196 52.810 54.000 0.010 0.000 0.881 159 D CB 1.199 42.005 40.800 0.009 0.000 1.191 159 D HN 0.214 nan 8.370 nan 0.000 0.445 160 P HA -0.176 nan 4.420 nan 0.000 0.217 160 P C 1.182 178.478 177.300 -0.006 0.000 1.148 160 P CA 1.259 64.353 63.100 -0.010 0.000 0.834 160 P CB 0.228 31.919 31.700 -0.015 0.000 0.783 161 R N -1.055 119.444 120.500 -0.002 0.000 2.170 161 R HA -0.106 4.234 4.340 -0.000 0.000 0.242 161 R C 1.769 178.070 176.300 0.001 0.000 1.145 161 R CA 1.983 58.083 56.100 0.000 0.000 0.984 161 R CB -1.197 29.104 30.300 0.001 0.000 0.869 161 R HN 0.381 nan 8.270 nan 0.000 0.455 162 T N -1.382 113.174 114.554 0.004 0.000 3.034 162 T HA 0.041 4.391 4.350 -0.000 0.000 0.248 162 T C 1.681 176.385 174.700 0.006 0.000 1.040 162 T CA -0.138 61.966 62.100 0.006 0.000 1.107 162 T CB 0.088 68.962 68.868 0.010 0.000 0.932 162 T HN 0.172 nan 8.240 nan 0.000 0.474 163 Q N 1.459 121.261 119.800 0.003 0.000 2.082 163 Q HA -0.275 4.065 4.340 -0.000 0.000 0.211 163 Q C 2.276 178.270 176.000 -0.010 0.000 1.002 163 Q CA 2.175 57.976 55.803 -0.003 0.000 0.868 163 Q CB -0.271 28.456 28.738 -0.018 0.000 0.931 163 Q HN 0.697 nan 8.270 nan 0.000 0.414 164 E N 0.694 120.885 120.200 -0.016 0.000 2.021 164 E HA -0.241 4.109 4.350 -0.000 0.000 0.200 164 E C 1.834 178.432 176.600 -0.004 0.000 1.015 164 E CA 1.496 57.886 56.400 -0.017 0.000 0.824 164 E CB 0.012 29.702 29.700 -0.016 0.000 0.762 164 E HN 0.331 nan 8.360 nan 0.000 0.454 165 N N 0.521 119.223 118.700 0.002 0.000 2.043 165 N HA -0.239 4.501 4.740 -0.000 0.000 0.193 165 N C 1.906 177.427 175.510 0.017 0.000 1.037 165 N CA 1.410 54.466 53.050 0.009 0.000 0.851 165 N CB -0.641 37.851 38.487 0.008 0.000 1.027 165 N HN 0.298 nan 8.380 nan 0.000 0.422 166 A N 2.327 125.159 122.820 0.018 0.000 1.896 166 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 166 A C 2.285 179.895 177.584 0.042 0.000 1.206 166 A CA 1.831 53.887 52.037 0.031 0.000 0.647 166 A CB -0.792 18.228 19.000 0.034 0.000 0.828 166 A HN 0.319 nan 8.150 nan 0.000 0.455 167 R N -0.920 119.595 120.500 0.026 0.000 2.096 167 R HA -0.202 4.138 4.340 -0.000 0.000 0.240 167 R C 2.393 178.711 176.300 0.031 0.000 1.139 167 R CA 1.704 57.814 56.100 0.017 0.000 0.952 167 R CB -0.423 29.860 30.300 -0.028 0.000 0.854 167 R HN 0.857 nan 8.270 nan 0.000 0.436 168 E N 1.112 121.329 120.200 0.029 0.000 2.005 168 E HA -0.279 4.071 4.350 -0.000 0.000 0.198 168 E C 2.067 178.704 176.600 0.061 0.000 1.010 168 E CA 1.623 58.047 56.400 0.040 0.000 0.825 168 E CB -0.167 29.551 29.700 0.030 0.000 0.769 168 E HN 0.206 nan 8.360 nan 0.000 0.456 169 M N 0.619 120.252 119.600 0.055 0.000 2.186 169 M HA -0.314 4.166 4.480 -0.000 0.000 0.249 169 M C 2.016 178.372 176.300 0.093 0.000 1.081 169 M CA 1.937 57.275 55.300 0.063 0.000 1.072 169 M CB -0.339 32.292 32.600 0.052 0.000 1.318 169 M HN 0.273 nan 8.290 nan 0.000 0.405 170 L N -0.938 120.354 121.223 0.115 0.000 1.988 170 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 170 L C 2.730 179.743 176.870 0.239 0.000 1.071 170 L CA 1.597 56.546 54.840 0.181 0.000 0.744 170 L CB -1.051 41.142 42.059 0.223 0.000 0.893 170 L HN 0.445 nan 8.230 nan 0.000 0.433 171 S N -0.262 115.551 115.700 0.189 0.000 2.372 171 S HA -0.209 4.261 4.470 -0.000 0.000 0.227 171 S C 2.002 176.733 174.600 0.218 0.000 1.044 171 S CA 1.658 59.982 58.200 0.207 0.000 1.050 171 S CB -0.254 63.008 63.200 0.102 0.000 0.901 171 S HN 0.178 nan 8.310 nan 0.000 0.447 172 V N 2.213 122.212 119.914 0.142 0.000 2.231 172 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 172 V C 2.393 178.560 176.094 0.122 0.000 1.054 172 V CA 2.216 64.581 62.300 0.107 0.000 1.015 172 V CB -0.697 31.171 31.823 0.075 0.000 0.638 172 V HN 0.522 nan 8.190 nan 0.000 0.444 173 L N -0.650 120.654 121.223 0.135 0.000 2.127 173 L HA -0.275 4.065 4.340 -0.000 0.000 0.211 173 L C 2.496 179.472 176.870 0.175 0.000 1.089 173 L CA 2.178 57.094 54.840 0.128 0.000 0.757 173 L CB -1.081 41.048 42.059 0.117 0.000 0.899 173 L HN 0.568 nan 8.230 nan 0.000 0.434 174 H N 0.629 119.773 119.070 0.123 0.000 2.319 174 H HA -0.192 4.364 4.556 -0.000 0.000 0.297 174 H C 2.044 177.434 175.328 0.102 0.000 1.097 174 H CA 1.547 57.679 56.048 0.140 0.000 1.285 174 H CB 0.416 30.340 29.762 0.270 0.000 1.368 174 H HN 0.190 nan 8.280 nan 0.000 0.495 175 K N 0.997 121.391 120.400 -0.011 0.000 2.017 175 K HA -0.016 4.304 4.320 -0.000 0.000 0.207 175 K C 2.059 178.645 176.600 -0.023 0.000 1.035 175 K CA 0.589 56.817 56.287 -0.097 0.000 0.947 175 K CB -0.534 31.934 32.500 -0.054 0.000 0.749 175 K HN 0.228 nan 8.250 nan 0.000 0.443 176 K N 1.288 121.697 120.400 0.015 0.000 2.520 176 K HA -0.109 4.211 4.320 -0.000 0.000 0.198 176 K C 1.057 177.672 176.600 0.024 0.000 1.045 176 K CA 0.841 57.141 56.287 0.020 0.000 0.934 176 K CB -0.042 32.476 32.500 0.031 0.000 0.766 176 K HN 0.207 nan 8.250 nan 0.000 0.483 177 N N -0.124 118.593 118.700 0.030 0.000 2.145 177 N HA 0.008 4.748 4.740 -0.000 0.000 0.219 177 N C -0.867 174.660 175.510 0.028 0.000 1.266 177 N CA 0.095 53.166 53.050 0.035 0.000 0.902 177 N CB 0.891 39.410 38.487 0.053 0.000 1.078 177 N HN -0.032 nan 8.380 nan 0.000 0.513 178 K N 1.127 121.531 120.400 0.006 0.000 3.150 178 K HA -0.165 4.155 4.320 -0.000 0.000 0.267 178 K C -0.198 176.423 176.600 0.034 0.000 1.028 178 K CA 0.572 56.851 56.287 -0.013 0.000 0.753 178 K CB -2.308 30.189 32.500 -0.004 0.000 1.288 178 K HN 0.344 nan 8.250 nan 0.000 0.473 179 L N 0.655 121.931 121.223 0.087 0.000 2.436 179 L HA 0.196 4.536 4.340 -0.000 0.000 0.265 179 L C 0.839 177.832 176.870 0.205 0.000 1.168 179 L CA -0.029 54.893 54.840 0.138 0.000 0.815 179 L CB 0.811 42.958 42.059 0.147 0.000 1.109 179 L HN 0.059 nan 8.230 nan 0.000 0.462 180 T N 1.916 116.538 114.554 0.113 0.000 2.874 180 T HA 0.371 4.721 4.350 -0.000 0.000 0.321 180 T C -0.162 174.535 174.700 -0.005 0.000 1.075 180 T CA -0.361 61.797 62.100 0.097 0.000 0.966 180 T CB 0.968 69.880 68.868 0.072 0.000 1.001 180 T HN 0.169 nan 8.240 nan 0.000 0.476 181 V N 4.499 124.317 119.914 -0.160 0.000 2.439 181 V HA 0.445 4.565 4.120 -0.000 0.000 0.282 181 V C -0.225 175.727 176.094 -0.237 0.000 1.039 181 V CA -0.898 61.175 62.300 -0.377 0.000 0.913 181 V CB 1.566 32.771 31.823 -1.031 0.000 0.983 181 V HN 0.617 nan 8.190 nan 0.000 0.460 182 L N 5.405 126.579 121.223 -0.081 0.000 2.301 182 L HA 0.485 4.825 4.340 -0.000 0.000 0.278 182 L C -0.451 176.471 176.870 0.087 0.000 1.022 182 L CA -0.053 54.852 54.840 0.109 0.000 0.854 182 L CB 0.572 42.729 42.059 0.162 0.000 1.226 182 L HN 0.744 nan 8.230 nan 0.000 0.429 183 H N 4.991 124.092 119.070 0.051 0.000 2.541 183 H HA 0.560 5.116 4.556 0.000 0.000 0.316 183 H C -0.810 174.567 175.328 0.081 0.000 1.043 183 H CA -0.643 55.458 56.048 0.088 0.000 1.232 183 H CB 0.892 30.834 29.762 0.300 0.000 1.406 183 H HN 0.600 nan 8.280 nan 0.000 0.469 184 I N 5.658 126.375 120.570 0.245 0.000 2.339 184 I HA 0.260 4.430 4.170 -0.000 0.000 0.290 184 I C -0.277 175.977 176.117 0.229 0.000 0.994 184 I CA -0.163 61.264 61.300 0.211 0.000 1.191 184 I CB 1.612 39.702 38.000 0.150 0.000 1.343 184 I HN 0.608 nan 8.210 nan 0.000 0.458 185 T N 3.156 117.838 114.554 0.212 0.000 2.841 185 T HA 0.308 4.658 4.350 -0.000 0.000 0.296 185 T C 0.387 175.183 174.700 0.160 0.000 1.166 185 T CA -0.445 61.759 62.100 0.174 0.000 1.007 185 T CB 1.574 70.524 68.868 0.138 0.000 1.253 185 T HN 0.689 nan 8.240 nan 0.000 0.511 186 H N -0.670 118.461 119.070 0.101 0.000 2.755 186 H HA 0.257 4.813 4.556 -0.000 0.000 0.273 186 H C -0.565 174.833 175.328 0.117 0.000 1.055 186 H CA -0.215 55.916 56.048 0.139 0.000 1.191 186 H CB 0.649 30.480 29.762 0.114 0.000 1.536 186 H HN 0.365 nan 8.280 nan 0.000 0.529 187 D N 2.541 122.688 120.400 -0.422 0.000 2.396 187 D HA 0.023 4.663 4.640 -0.000 0.000 0.225 187 D C 1.054 177.277 176.300 -0.130 0.000 1.121 187 D CA -0.223 53.564 54.000 -0.356 0.000 0.853 187 D CB 1.464 42.042 40.800 -0.370 0.000 1.043 187 D HN 0.528 nan 8.370 nan 0.000 0.500 188 Q N 1.655 121.418 119.800 -0.063 0.000 2.167 188 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 188 Q C 1.473 177.471 176.000 -0.004 0.000 0.970 188 Q CA 0.973 56.812 55.803 0.060 0.000 0.855 188 Q CB -0.197 28.612 28.738 0.117 0.000 0.911 188 Q HN 0.292 nan 8.270 nan 0.000 0.438 189 T N 1.289 115.812 114.554 -0.051 0.000 2.821 189 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 189 T C 1.577 176.192 174.700 -0.140 0.000 1.046 189 T CA 1.252 63.327 62.100 -0.041 0.000 1.139 189 T CB -0.046 68.846 68.868 0.040 0.000 0.871 189 T HN 0.296 nan 8.240 nan 0.000 0.454 190 E N 1.298 121.404 120.200 -0.156 0.000 2.047 190 E HA -0.019 4.331 4.350 -0.000 0.000 0.191 190 E C 2.629 179.068 176.600 -0.268 0.000 0.987 190 E CA 1.095 57.373 56.400 -0.204 0.000 0.799 190 E CB -0.694 28.909 29.700 -0.162 0.000 0.752 190 E HN 0.473 nan 8.360 nan 0.000 0.449 191 A N 2.403 125.101 122.820 -0.203 0.000 1.869 191 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 191 A C 2.220 179.689 177.584 -0.191 0.000 1.203 191 A CA 2.091 54.019 52.037 -0.181 0.000 0.638 191 A CB -0.673 18.320 19.000 -0.011 0.000 0.831 191 A HN 0.142 nan 8.150 nan 0.000 0.450 192 R N -0.744 119.641 120.500 -0.193 0.000 2.127 192 R HA -0.168 4.172 4.340 -0.000 0.000 0.228 192 R C 2.088 178.188 176.300 -0.334 0.000 1.125 192 R CA 1.884 57.808 56.100 -0.293 0.000 0.904 192 R CB -0.921 29.075 30.300 -0.505 0.000 0.831 192 R HN 0.605 nan 8.270 nan 0.000 0.431 193 I N 0.464 120.720 120.570 -0.523 0.000 2.285 193 I HA -0.353 3.817 4.170 -0.000 0.000 0.253 193 I C 2.134 178.021 176.117 -0.382 0.000 1.104 193 I CA 1.593 62.494 61.300 -0.665 0.000 1.372 193 I CB -0.192 37.428 38.000 -0.634 0.000 1.057 193 I HN 0.342 nan 8.210 nan 0.000 0.431 194 M N -0.974 118.388 119.600 -0.397 0.000 2.300 194 M HA 0.284 4.764 4.480 -0.000 0.000 0.313 194 M C 0.596 176.543 176.300 -0.588 0.000 0.988 194 M CA -0.192 54.799 55.300 -0.515 0.000 1.012 194 M CB 0.791 32.985 32.600 -0.676 0.000 1.586 194 M HN 0.104 nan 8.290 nan 0.000 0.562 195 A N 0.481 123.097 122.820 -0.339 0.000 2.304 195 A HA 0.287 4.607 4.320 -0.000 0.000 0.271 195 A C 0.084 177.636 177.584 -0.054 0.000 1.091 195 A CA -0.094 51.829 52.037 -0.189 0.000 0.812 195 A CB 0.448 19.370 19.000 -0.130 0.000 1.056 195 A HN 0.194 nan 8.150 nan 0.000 0.489 196 D N -0.574 119.861 120.400 0.059 0.000 2.423 196 D HA 0.221 4.861 4.640 -0.000 0.000 0.212 196 D C 0.271 176.660 176.300 0.148 0.000 1.060 196 D CA 0.807 54.889 54.000 0.137 0.000 0.872 196 D CB 0.332 41.272 40.800 0.233 0.000 1.012 196 D HN 0.503 nan 8.370 nan 0.000 0.503 197 R N -0.026 120.539 120.500 0.108 0.000 2.687 197 R HA 0.335 4.675 4.340 -0.000 0.000 0.265 197 R C -1.550 174.603 176.300 -0.245 0.000 1.048 197 R CA -0.621 55.530 56.100 0.085 0.000 0.884 197 R CB 1.799 32.346 30.300 0.412 0.000 1.258 197 R HN -0.131 nan 8.270 nan 0.000 0.469 198 I N 1.243 121.698 120.570 -0.192 0.000 2.530 198 I HA 0.542 4.712 4.170 -0.000 0.000 0.297 198 I C -0.238 175.732 176.117 -0.245 0.000 1.011 198 I CA -0.762 60.363 61.300 -0.291 0.000 1.107 198 I CB 1.865 39.812 38.000 -0.088 0.000 1.285 198 I HN 0.708 nan 8.210 nan 0.000 0.436 199 A N 6.090 128.743 122.820 -0.279 0.000 2.409 199 A HA 0.580 4.900 4.320 -0.000 0.000 0.300 199 A C -0.620 176.942 177.584 -0.036 0.000 1.273 199 A CA -0.482 51.559 52.037 0.005 0.000 0.774 199 A CB 0.677 19.835 19.000 0.265 0.000 1.144 199 A HN 0.402 nan 8.150 nan 0.000 0.472 200 V N 3.068 122.956 119.914 -0.044 0.000 2.439 200 V HA 0.223 4.343 4.120 -0.000 0.000 0.271 200 V C -0.066 175.975 176.094 -0.088 0.000 1.040 200 V CA 0.152 62.403 62.300 -0.082 0.000 1.002 200 V CB 1.051 32.810 31.823 -0.106 0.000 1.000 200 V HN 0.556 nan 8.190 nan 0.000 0.477 201 V N 7.497 127.343 119.914 -0.113 0.000 2.409 201 V HA 0.465 4.585 4.120 -0.000 0.000 0.290 201 V C -0.114 175.905 176.094 -0.126 0.000 1.017 201 V CA -0.383 61.847 62.300 -0.116 0.000 0.841 201 V CB 1.670 33.407 31.823 -0.143 0.000 1.003 201 V HN 0.825 nan 8.190 nan 0.000 0.426 202 M N 3.619 123.140 119.600 -0.132 0.000 2.227 202 M HA 0.430 4.910 4.480 -0.000 0.000 0.335 202 M C 0.004 176.260 176.300 -0.073 0.000 1.053 202 M CA -0.488 54.729 55.300 -0.138 0.000 0.973 202 M CB 1.241 33.725 32.600 -0.194 0.000 1.623 202 M HN 0.738 nan 8.290 nan 0.000 0.434 203 D N 3.262 123.661 120.400 -0.003 0.000 2.697 203 D HA -0.155 4.485 4.640 -0.000 0.000 0.238 203 D C 0.660 176.882 176.300 -0.130 0.000 1.152 203 D CA 1.697 55.704 54.000 0.012 0.000 0.666 203 D CB -0.833 39.952 40.800 -0.024 0.000 1.037 203 D HN 1.166 nan 8.370 nan 0.000 0.423 204 G N 1.262 109.969 108.800 -0.155 0.000 2.393 204 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.299 204 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.299 204 G C -0.154 174.596 174.900 -0.250 0.000 0.990 204 G CA 0.827 45.656 45.100 -0.452 0.000 1.118 204 G HN 0.497 nan 8.290 nan 0.000 0.513 205 K N -0.340 119.974 120.400 -0.144 0.000 2.581 205 K HA 0.330 4.650 4.320 -0.000 0.000 0.249 205 K C -0.426 176.126 176.600 -0.080 0.000 0.966 205 K CA -1.096 55.130 56.287 -0.101 0.000 0.811 205 K CB 2.291 34.738 32.500 -0.089 0.000 1.223 205 K HN 0.227 nan 8.250 nan 0.000 0.438 206 L N 4.167 125.358 121.223 -0.053 0.000 2.410 206 L HA 0.203 4.543 4.340 -0.000 0.000 0.273 206 L C 0.639 177.490 176.870 -0.031 0.000 1.152 206 L CA 0.729 55.550 54.840 -0.032 0.000 0.855 206 L CB 0.161 42.226 42.059 0.009 0.000 1.129 206 L HN 0.740 nan 8.230 nan 0.000 0.463 207 I N 2.321 122.868 120.570 -0.038 0.000 3.971 207 I HA 0.238 4.408 4.170 -0.000 0.000 0.303 207 I C 0.500 176.603 176.117 -0.023 0.000 1.233 207 I CA -0.020 61.257 61.300 -0.038 0.000 1.346 207 I CB 0.311 38.273 38.000 -0.064 0.000 1.273 207 I HN 0.643 nan 8.210 nan 0.000 0.448 208 Q N 0.555 120.343 119.800 -0.020 0.000 2.534 208 Q HA 0.635 4.975 4.340 -0.000 0.000 0.290 208 Q C -1.912 174.102 176.000 0.024 0.000 0.991 208 Q CA -0.493 55.306 55.803 -0.007 0.000 0.783 208 Q CB 3.641 32.358 28.738 -0.036 0.000 1.470 208 Q HN -0.093 nan 8.270 nan 0.000 0.406 209 V N 0.377 120.320 119.914 0.049 0.000 2.969 209 V HA 0.917 5.037 4.120 -0.000 0.000 0.304 209 V C -0.421 175.734 176.094 0.103 0.000 1.192 209 V CA 0.146 62.514 62.300 0.114 0.000 0.962 209 V CB 1.932 33.860 31.823 0.175 0.000 1.045 209 V HN 1.019 nan 8.190 nan 0.000 0.428 210 G N 2.583 111.461 108.800 0.130 0.000 2.345 210 G HA2 0.198 4.158 3.960 -0.000 0.000 0.310 210 G HA3 0.198 4.158 3.960 -0.000 0.000 0.310 210 G C -1.255 173.705 174.900 0.101 0.000 1.476 210 G CA -1.131 44.037 45.100 0.113 0.000 0.978 210 G HN 0.675 nan 8.290 nan 0.000 0.656 211 K N 1.311 121.774 120.400 0.105 0.000 2.580 211 K HA 0.045 4.365 4.320 -0.000 0.000 0.278 211 K C -1.417 175.253 176.600 0.117 0.000 0.960 211 K CA -0.097 56.251 56.287 0.102 0.000 0.988 211 K CB 0.720 33.272 32.500 0.087 0.000 0.887 211 K HN 0.157 nan 8.250 nan 0.000 0.509 212 P HA -0.271 nan 4.420 nan 0.000 0.214 212 P C 0.567 178.059 177.300 0.319 0.000 1.172 212 P CA 1.573 64.828 63.100 0.259 0.000 0.925 212 P CB 0.112 31.881 31.700 0.115 0.000 0.793 213 E N -0.349 119.948 120.200 0.162 0.000 2.136 213 E HA -0.276 4.074 4.350 -0.000 0.000 0.202 213 E C 1.973 178.654 176.600 0.136 0.000 1.019 213 E CA 1.378 57.853 56.400 0.125 0.000 0.819 213 E CB -0.565 29.166 29.700 0.052 0.000 0.739 213 E HN 0.495 nan 8.360 nan 0.000 0.458 214 E N -0.034 120.229 120.200 0.105 0.000 2.204 214 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 214 E C 2.038 178.651 176.600 0.022 0.000 0.989 214 E CA 0.476 56.911 56.400 0.059 0.000 0.824 214 E CB 0.119 29.848 29.700 0.049 0.000 0.756 214 E HN 0.279 nan 8.360 nan 0.000 0.477 215 I N -0.192 120.383 120.570 0.008 0.000 2.480 215 I HA -0.126 4.044 4.170 -0.000 0.000 0.251 215 I C 1.691 177.559 176.117 -0.415 0.000 1.124 215 I CA 1.191 62.337 61.300 -0.257 0.000 1.444 215 I CB -0.591 37.108 38.000 -0.500 0.000 1.098 215 I HN 0.063 nan 8.210 nan 0.000 0.428 216 F N 1.030 120.965 119.950 -0.025 0.000 2.383 216 F HA 0.110 4.637 4.527 -0.000 0.000 0.287 216 F C 2.285 178.045 175.800 -0.066 0.000 1.069 216 F CA 0.264 58.236 58.000 -0.046 0.000 1.402 216 F CB -0.623 38.335 39.000 -0.071 0.000 1.116 216 F HN -0.037 nan 8.300 nan 0.000 0.549 217 E N 0.249 120.528 120.200 0.133 0.000 2.502 217 E HA 0.021 4.371 4.350 -0.000 0.000 0.194 217 E C -0.153 176.455 176.600 0.012 0.000 1.062 217 E CA 0.476 56.894 56.400 0.031 0.000 0.867 217 E CB 0.021 29.731 29.700 0.017 0.000 0.888 217 E HN 0.252 nan 8.360 nan 0.000 0.510 218 K N 0.508 120.916 120.400 0.012 0.000 3.200 218 K HA 0.209 4.529 4.320 -0.000 0.000 0.179 218 K C -2.814 173.777 176.600 -0.015 0.000 1.153 218 K CA -1.164 55.126 56.287 0.006 0.000 0.836 218 K CB 1.616 34.125 32.500 0.015 0.000 1.051 218 K HN -0.074 nan 8.250 nan 0.000 0.594 219 P HA 0.095 nan 4.420 nan 0.000 0.274 219 P C -0.166 177.128 177.300 -0.010 0.000 1.260 219 P CA -0.545 62.530 63.100 -0.042 0.000 0.793 219 P CB 0.739 32.418 31.700 -0.035 0.000 1.048 220 V N -0.164 119.742 119.914 -0.015 0.000 2.973 220 V HA 0.152 4.272 4.120 -0.000 0.000 0.314 220 V C 0.569 176.672 176.094 0.015 0.000 1.066 220 V CA -0.675 61.626 62.300 0.003 0.000 1.021 220 V CB 0.768 32.586 31.823 -0.008 0.000 1.076 220 V HN 0.671 nan 8.190 nan 0.000 0.462 221 E N 1.919 122.136 120.200 0.029 0.000 2.565 221 E HA 0.148 4.498 4.350 -0.000 0.000 0.268 221 E C 1.170 177.791 176.600 0.035 0.000 1.000 221 E CA 0.396 56.822 56.400 0.042 0.000 0.964 221 E CB -0.125 29.599 29.700 0.040 0.000 0.955 221 E HN 1.057 nan 8.360 nan 0.000 0.459 222 G N 3.881 112.711 108.800 0.050 0.000 3.523 222 G HA2 -0.513 3.447 3.960 -0.000 0.000 0.361 222 G HA3 -0.513 3.447 3.960 -0.000 0.000 0.361 222 G C 1.204 176.128 174.900 0.040 0.000 1.349 222 G CA 1.222 46.349 45.100 0.046 0.000 1.173 222 G HN 0.703 nan 8.290 nan 0.000 0.709 223 R N 0.146 120.658 120.500 0.020 0.000 2.122 223 R HA -0.100 4.240 4.340 -0.000 0.000 0.236 223 R C 2.743 179.058 176.300 0.025 0.000 1.129 223 R CA 2.337 58.441 56.100 0.007 0.000 0.925 223 R CB -0.993 29.287 30.300 -0.033 0.000 0.850 223 R HN 0.444 nan 8.270 nan 0.000 0.431 224 V N 1.029 120.947 119.914 0.006 0.000 2.343 224 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 224 V C 2.535 178.663 176.094 0.057 0.000 1.051 224 V CA 1.948 64.257 62.300 0.015 0.000 1.036 224 V CB -0.858 30.944 31.823 -0.035 0.000 0.654 224 V HN 0.463 nan 8.190 nan 0.000 0.451 225 A N -0.452 122.394 122.820 0.043 0.000 1.902 225 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 225 A C 2.569 180.196 177.584 0.072 0.000 1.181 225 A CA 2.179 54.243 52.037 0.045 0.000 0.623 225 A CB -0.783 18.242 19.000 0.042 0.000 0.818 225 A HN 0.493 nan 8.150 nan 0.000 0.443 226 S N -1.702 114.051 115.700 0.089 0.000 2.382 226 S HA -0.143 4.327 4.470 -0.000 0.000 0.228 226 S C 1.704 176.399 174.600 0.158 0.000 1.027 226 S CA 1.489 59.750 58.200 0.102 0.000 0.991 226 S CB -0.491 62.767 63.200 0.096 0.000 0.823 226 S HN 0.502 nan 8.310 nan 0.000 0.469 227 F N 1.775 121.726 119.950 0.001 0.000 2.325 227 F HA 0.120 4.647 4.527 -0.000 0.000 0.299 227 F C 1.332 177.147 175.800 0.024 0.000 1.090 227 F CA 1.006 59.011 58.000 0.008 0.000 1.392 227 F CB 0.341 39.333 39.000 -0.013 0.000 1.053 227 F HN 0.183 nan 8.300 nan 0.000 0.521 228 V N -2.178 117.786 119.914 0.084 0.000 3.372 228 V HA 0.425 4.545 4.120 -0.000 0.000 0.304 228 V C 1.129 177.270 176.094 0.079 0.000 1.530 228 V CA -0.031 62.300 62.300 0.052 0.000 1.080 228 V CB -0.618 31.253 31.823 0.081 0.000 0.929 228 V HN 0.145 nan 8.190 nan 0.000 0.455 229 G N -0.273 108.571 108.800 0.073 0.000 2.562 229 G HA2 0.266 4.226 3.960 -0.000 0.000 0.233 229 G HA3 0.266 4.226 3.960 -0.000 0.000 0.233 229 G C -0.135 174.867 174.900 0.171 0.000 1.266 229 G CA -0.038 45.130 45.100 0.114 0.000 0.852 229 G HN 0.283 nan 8.290 nan 0.000 0.581 230 F N -0.142 119.742 119.950 -0.110 0.000 2.166 230 F HA -0.158 4.369 4.527 -0.000 0.000 0.170 230 F C 0.610 176.365 175.800 -0.075 0.000 1.012 230 F CA 1.290 59.224 58.000 -0.111 0.000 0.786 230 F CB -0.480 38.443 39.000 -0.127 0.000 0.847 230 F HN 0.385 nan 8.300 nan 0.000 0.786 231 E N 1.626 121.786 120.200 -0.066 0.000 2.321 231 E HA 0.278 4.628 4.350 -0.000 0.000 0.281 231 E C -0.810 175.689 176.600 -0.168 0.000 0.910 231 E CA -0.887 55.472 56.400 -0.067 0.000 0.770 231 E CB 1.539 31.218 29.700 -0.035 0.000 1.225 231 E HN 0.193 nan 8.360 nan 0.000 0.417 232 N N 1.434 120.026 118.700 -0.180 0.000 2.457 232 N HA 0.333 5.073 4.740 -0.000 0.000 0.250 232 N C -0.924 174.388 175.510 -0.331 0.000 0.982 232 N CA -0.198 52.706 53.050 -0.242 0.000 0.941 232 N CB 1.679 40.026 38.487 -0.235 0.000 1.120 232 N HN 0.086 nan 8.380 nan 0.000 0.505 233 V N 4.116 123.788 119.914 -0.403 0.000 2.443 233 V HA 0.413 4.533 4.120 -0.000 0.000 0.293 233 V C -0.187 175.686 176.094 -0.368 0.000 1.021 233 V CA -0.698 61.255 62.300 -0.579 0.000 0.848 233 V CB 1.866 33.197 31.823 -0.820 0.000 0.998 233 V HN 0.394 nan 8.190 nan 0.000 0.424 234 L N 5.521 126.561 121.223 -0.306 0.000 2.298 234 L HA 0.570 4.910 4.340 -0.000 0.000 0.284 234 L C 0.250 176.933 176.870 -0.311 0.000 1.013 234 L CA -0.809 53.883 54.840 -0.247 0.000 0.824 234 L CB 1.570 43.517 42.059 -0.185 0.000 1.221 234 L HN 0.690 nan 8.230 nan 0.000 0.418 235 K N 2.106 122.284 120.400 -0.369 0.000 2.312 235 K HA 0.662 4.982 4.320 -0.000 0.000 0.287 235 K C -0.050 176.323 176.600 -0.377 0.000 1.062 235 K CA -0.332 55.591 56.287 -0.606 0.000 0.934 235 K CB 1.349 33.535 32.500 -0.524 0.000 1.027 235 K HN 0.676 nan 8.250 nan 0.000 0.478 236 G N 1.963 110.544 108.800 -0.364 0.000 2.866 236 G HA2 0.458 4.418 3.960 -0.000 0.000 0.289 236 G HA3 0.458 4.418 3.960 -0.000 0.000 0.289 236 G C -1.590 173.208 174.900 -0.170 0.000 1.396 236 G CA -1.149 43.827 45.100 -0.208 0.000 0.848 236 G HN 0.606 nan 8.290 nan 0.000 0.515 237 R N 0.213 120.649 120.500 -0.107 0.000 2.502 237 R HA 0.484 4.824 4.340 -0.000 0.000 0.300 237 R C -0.999 175.270 176.300 -0.052 0.000 0.984 237 R CA -0.481 55.573 56.100 -0.076 0.000 0.882 237 R CB 1.854 32.116 30.300 -0.063 0.000 1.180 237 R HN 0.329 nan 8.270 nan 0.000 0.444 238 V N 7.208 127.097 119.914 -0.041 0.000 2.458 238 V HA -0.004 4.116 4.120 -0.000 0.000 0.287 238 V C 1.550 177.631 176.094 -0.022 0.000 1.009 238 V CA 0.565 62.849 62.300 -0.027 0.000 1.091 238 V CB 0.544 32.355 31.823 -0.020 0.000 0.960 238 V HN 0.792 nan 8.190 nan 0.000 0.476 239 I N 2.651 123.210 120.570 -0.019 0.000 2.867 239 I HA 0.099 4.269 4.170 -0.000 0.000 0.265 239 I C 1.083 177.193 176.117 -0.011 0.000 1.162 239 I CA 0.829 62.119 61.300 -0.016 0.000 1.471 239 I CB 0.306 38.297 38.000 -0.016 0.000 1.123 239 I HN 0.635 nan 8.210 nan 0.000 0.440 240 S N 0.349 116.043 115.700 -0.009 0.000 2.541 240 S HA 0.781 5.251 4.470 -0.000 0.000 0.271 240 S C -1.201 173.397 174.600 -0.004 0.000 1.133 240 S CA -0.387 57.809 58.200 -0.006 0.000 0.876 240 S CB 1.953 65.150 63.200 -0.006 0.000 1.105 240 S HN 0.141 nan 8.310 nan 0.000 0.470 241 A N 3.392 126.210 122.820 -0.003 0.000 3.300 241 A HA 0.499 4.819 4.320 -0.000 0.000 0.300 241 A C -0.983 176.600 177.584 -0.000 0.000 1.099 241 A CA -0.507 51.529 52.037 -0.001 0.000 0.846 241 A CB 0.448 19.446 19.000 -0.002 0.000 1.255 241 A HN 0.604 nan 8.150 nan 0.000 0.519 242 E N 1.212 121.413 120.200 0.000 0.000 2.044 242 E HA 0.305 4.655 4.350 -0.000 0.000 0.282 242 E C -0.274 176.327 176.600 0.002 0.000 1.031 242 E CA -0.378 56.022 56.400 0.000 0.000 0.824 242 E CB 1.178 30.877 29.700 -0.000 0.000 1.076 242 E HN 0.590 nan 8.360 nan 0.000 0.395 243 Q N 1.662 121.463 119.800 0.002 0.000 2.454 243 Q HA -0.230 4.110 4.340 -0.000 0.000 0.307 243 Q C 0.698 176.701 176.000 0.005 0.000 1.430 243 Q CA 1.292 57.096 55.803 0.003 0.000 0.786 243 Q CB -1.745 26.995 28.738 0.003 0.000 1.115 243 Q HN 1.027 nan 8.270 nan 0.000 0.389 244 G N -1.083 107.720 108.800 0.005 0.000 2.302 244 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.263 244 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.263 244 G C -0.112 174.794 174.900 0.010 0.000 0.995 244 G CA 0.269 45.374 45.100 0.008 0.000 0.622 244 G HN 0.933 nan 8.290 nan 0.000 0.538 245 L N 2.175 123.404 121.223 0.010 0.000 2.260 245 L HA 0.708 5.048 4.340 -0.000 0.000 0.289 245 L C 0.409 177.285 176.870 0.010 0.000 1.057 245 L CA -0.770 54.077 54.840 0.012 0.000 0.811 245 L CB 0.596 42.662 42.059 0.011 0.000 1.184 245 L HN 0.212 nan 8.230 nan 0.000 0.429 246 L N 5.348 126.578 121.223 0.012 0.000 2.399 246 L HA 0.610 4.950 4.340 -0.000 0.000 0.265 246 L C 0.337 177.213 176.870 0.010 0.000 1.089 246 L CA -0.817 54.028 54.840 0.008 0.000 0.802 246 L CB 0.858 42.921 42.059 0.006 0.000 1.180 246 L HN 0.508 nan 8.230 nan 0.000 0.454 247 R N 2.411 122.913 120.500 0.004 0.000 2.500 247 R HA 0.568 4.908 4.340 -0.000 0.000 0.299 247 R C -1.262 175.036 176.300 -0.004 0.000 1.038 247 R CA -0.423 55.679 56.100 0.002 0.000 0.903 247 R CB 1.661 31.959 30.300 -0.002 0.000 1.177 247 R HN 0.550 nan 8.270 nan 0.000 0.455 248 I N 2.152 122.721 120.570 -0.002 0.000 2.562 248 I HA 0.482 4.652 4.170 -0.000 0.000 0.301 248 I C 0.245 176.350 176.117 -0.020 0.000 1.003 248 I CA -1.048 60.242 61.300 -0.017 0.000 1.127 248 I CB 2.003 39.991 38.000 -0.020 0.000 1.304 248 I HN 0.247 nan 8.210 nan 0.000 0.446 249 R N 4.229 124.707 120.500 -0.036 0.000 2.445 249 R HA 0.727 5.067 4.340 -0.000 0.000 0.308 249 R C -1.908 174.358 176.300 -0.056 0.000 0.961 249 R CA -0.408 55.669 56.100 -0.038 0.000 0.862 249 R CB 1.517 31.795 30.300 -0.037 0.000 1.144 249 R HN 0.496 nan 8.270 nan 0.000 0.447 250 V N 5.431 125.316 119.914 -0.049 0.000 2.483 250 V HA 0.509 4.629 4.120 -0.000 0.000 0.297 250 V C 1.061 177.123 176.094 -0.052 0.000 1.027 250 V CA 0.078 62.338 62.300 -0.066 0.000 0.855 250 V CB 0.975 32.758 31.823 -0.066 0.000 0.995 250 V HN 1.124 nan 8.190 nan 0.000 0.424 251 G N 4.697 113.463 108.800 -0.057 0.000 2.692 251 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.339 251 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.339 251 G C 0.616 175.494 174.900 -0.036 0.000 1.226 251 G CA 1.158 46.231 45.100 -0.045 0.000 0.979 251 G HN 0.719 nan 8.290 nan 0.000 0.549 252 E N 0.112 120.293 120.200 -0.032 0.000 2.498 252 E HA 0.375 4.725 4.350 -0.000 0.000 0.203 252 E C 0.838 177.422 176.600 -0.028 0.000 1.013 252 E CA 0.380 56.763 56.400 -0.028 0.000 0.927 252 E CB 0.818 30.502 29.700 -0.026 0.000 1.012 252 E HN 0.660 nan 8.360 nan 0.000 0.482 253 V N -2.116 117.782 119.914 -0.026 0.000 3.093 253 V HA 0.587 4.707 4.120 -0.000 0.000 0.320 253 V C 0.028 176.112 176.094 -0.015 0.000 1.093 253 V CA -0.892 61.395 62.300 -0.022 0.000 1.016 253 V CB 1.931 33.746 31.823 -0.014 0.000 1.096 253 V HN -0.261 nan 8.190 nan 0.000 0.452 254 V N 2.277 122.183 119.914 -0.013 0.000 2.540 254 V HA 0.574 4.694 4.120 -0.000 0.000 0.302 254 V C -0.348 175.752 176.094 0.010 0.000 1.035 254 V CA -0.308 61.988 62.300 -0.007 0.000 0.873 254 V CB 1.524 33.337 31.823 -0.016 0.000 0.992 254 V HN 0.778 nan 8.190 nan 0.000 0.428 255 I N 3.117 123.707 120.570 0.034 0.000 2.465 255 I HA 0.468 4.638 4.170 -0.000 0.000 0.291 255 I C -0.992 175.163 176.117 0.063 0.000 1.014 255 I CA -0.633 60.718 61.300 0.084 0.000 1.093 255 I CB 2.179 40.279 38.000 0.166 0.000 1.267 255 I HN 0.493 nan 8.210 nan 0.000 0.431 256 D N 4.765 125.199 120.400 0.058 0.000 2.225 256 D HA 0.745 5.385 4.640 -0.000 0.000 0.248 256 D C -0.246 176.104 176.300 0.085 0.000 1.096 256 D CA 0.187 54.214 54.000 0.045 0.000 0.863 256 D CB 1.828 42.636 40.800 0.013 0.000 1.156 256 D HN 0.712 nan 8.370 nan 0.000 0.450 257 A N 1.033 123.891 122.820 0.064 0.000 2.594 257 A HA 0.929 5.249 4.320 -0.000 0.000 0.307 257 A C -1.654 175.960 177.584 0.049 0.000 1.203 257 A CA -0.455 51.626 52.037 0.074 0.000 0.644 257 A CB 0.900 19.946 19.000 0.077 0.000 1.349 257 A HN 0.602 nan 8.150 nan 0.000 0.510 258 A N -1.431 121.418 122.820 0.048 0.000 2.498 258 A HA 1.002 5.322 4.320 -0.000 0.000 0.298 258 A C -0.045 177.554 177.584 0.025 0.000 1.075 258 A CA -0.029 52.029 52.037 0.035 0.000 0.714 258 A CB 1.422 20.446 19.000 0.041 0.000 1.299 258 A HN 2.783 nan 8.150 nan 0.000 0.407 259 G N 0.766 109.575 108.800 0.015 0.000 2.337 259 G HA2 0.453 4.413 3.960 -0.000 0.000 0.310 259 G HA3 0.453 4.413 3.960 -0.000 0.000 0.310 259 G C -1.685 173.215 174.900 0.001 0.000 1.534 259 G CA -0.263 44.840 45.100 0.005 0.000 0.982 259 G HN 1.224 nan 8.290 nan 0.000 0.672 260 D N 0.622 121.021 120.400 -0.002 0.000 2.365 260 D HA 0.504 5.144 4.640 -0.000 0.000 0.237 260 D C 0.441 176.738 176.300 -0.005 0.000 1.190 260 D CA -0.006 53.992 54.000 -0.002 0.000 0.867 260 D CB 0.636 41.436 40.800 -0.000 0.000 1.050 260 D HN 0.496 nan 8.370 nan 0.000 0.491 261 M N 1.050 120.647 119.600 -0.005 0.000 2.520 261 M HA 0.315 4.795 4.480 -0.000 0.000 0.280 261 M C -0.735 175.563 176.300 -0.004 0.000 1.232 261 M CA -0.717 54.580 55.300 -0.005 0.000 0.892 261 M CB 2.303 34.898 32.600 -0.008 0.000 1.728 261 M HN 0.076 nan 8.290 nan 0.000 0.475 262 E N 0.885 121.082 120.200 -0.004 0.000 2.250 262 E HA 0.570 4.920 4.350 -0.000 0.000 0.269 262 E C -0.671 175.925 176.600 -0.006 0.000 1.018 262 E CA -0.557 55.840 56.400 -0.004 0.000 0.873 262 E CB 1.497 31.195 29.700 -0.003 0.000 1.134 262 E HN 0.397 nan 8.360 nan 0.000 0.403 263 V N 1.809 121.719 119.914 -0.007 0.000 2.788 263 V HA 0.223 4.343 4.120 -0.000 0.000 0.307 263 V C 1.507 177.595 176.094 -0.010 0.000 1.069 263 V CA 1.496 63.790 62.300 -0.009 0.000 1.173 263 V CB 0.304 32.122 31.823 -0.008 0.000 0.925 263 V HN 0.976 nan 8.190 nan 0.000 0.492 264 G N 2.617 111.408 108.800 -0.014 0.000 2.176 264 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.253 264 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.253 264 G C -0.079 174.812 174.900 -0.015 0.000 0.979 264 G CA 0.071 45.162 45.100 -0.014 0.000 0.641 264 G HN 0.707 nan 8.290 nan 0.000 0.530 265 D N 1.601 121.992 120.400 -0.016 0.000 2.295 265 D HA 0.313 4.953 4.640 -0.000 0.000 0.248 265 D C 0.491 176.775 176.300 -0.028 0.000 1.154 265 D CA 0.053 54.045 54.000 -0.013 0.000 0.857 265 D CB 0.816 41.611 40.800 -0.007 0.000 1.117 265 D HN 0.198 nan 8.370 nan 0.000 0.468 266 Q N 1.932 121.716 119.800 -0.026 0.000 2.300 266 Q HA 0.177 4.517 4.340 -0.000 0.000 0.262 266 Q C 0.368 176.335 176.000 -0.055 0.000 1.109 266 Q CA -0.174 55.591 55.803 -0.063 0.000 0.905 266 Q CB 0.879 29.593 28.738 -0.040 0.000 1.280 266 Q HN 0.335 nan 8.270 nan 0.000 0.426 267 V N 0.334 120.176 119.914 -0.120 0.000 3.204 267 V HA 0.660 4.780 4.120 -0.000 0.000 0.316 267 V C -1.136 174.810 176.094 -0.247 0.000 1.160 267 V CA -1.005 61.264 62.300 -0.052 0.000 1.044 267 V CB 1.757 33.572 31.823 -0.013 0.000 1.136 267 V HN 0.510 nan 8.190 nan 0.000 0.455 268 Y N 0.226 120.512 120.300 -0.023 0.000 2.376 268 Y HA 0.829 5.379 4.550 0.000 0.000 0.340 268 Y C 0.296 176.223 175.900 0.046 0.000 0.965 268 Y CA -0.189 57.901 58.100 -0.018 0.000 1.078 268 Y CB 2.131 40.626 38.460 0.057 0.000 1.193 268 Y HN 1.041 nan 8.280 nan 0.000 0.452 269 A N 4.073 126.929 122.820 0.060 0.000 2.291 269 A HA 0.743 5.063 4.320 -0.000 0.000 0.311 269 A C -1.570 176.022 177.584 0.015 0.000 1.224 269 A CA -0.500 51.587 52.037 0.082 0.000 0.821 269 A CB 0.044 19.036 19.000 -0.015 0.000 1.172 269 A HN 0.534 nan 8.150 nan 0.000 0.494 270 F N 1.983 121.915 119.950 -0.030 0.000 2.394 270 F HA 0.630 5.157 4.527 -0.000 0.000 0.340 270 F C -0.035 175.724 175.800 -0.069 0.000 1.105 270 F CA -0.847 57.132 58.000 -0.036 0.000 1.124 270 F CB 1.783 40.796 39.000 0.022 0.000 1.145 270 F HN 0.375 nan 8.300 nan 0.000 0.505 271 L N 4.615 125.827 121.223 -0.019 0.000 2.541 271 L HA 0.456 4.796 4.340 -0.000 0.000 0.266 271 L C -0.620 176.195 176.870 -0.092 0.000 0.966 271 L CA -0.649 54.120 54.840 -0.119 0.000 0.871 271 L CB 1.297 43.144 42.059 -0.353 0.000 1.232 271 L HN 0.537 nan 8.230 nan 0.000 0.408 272 R N 5.294 125.775 120.500 -0.032 0.000 2.539 272 R HA 0.287 4.627 4.340 -0.000 0.000 0.275 272 R C -1.724 174.573 176.300 -0.006 0.000 1.077 272 R CA -1.384 54.714 56.100 -0.004 0.000 1.097 272 R CB 0.318 30.629 30.300 0.019 0.000 1.018 272 R HN 0.428 nan 8.270 nan 0.000 0.483 273 P HA -0.152 nan 4.420 nan 0.000 0.219 273 P C -0.130 177.208 177.300 0.063 0.000 1.146 273 P CA 1.220 64.362 63.100 0.070 0.000 0.808 273 P CB 0.277 32.080 31.700 0.171 0.000 0.779 274 E N -1.249 118.981 120.200 0.049 0.000 2.463 274 E HA 0.025 4.375 4.350 -0.000 0.000 0.191 274 E C 0.667 177.296 176.600 0.047 0.000 1.083 274 E CA 0.267 56.694 56.400 0.045 0.000 0.872 274 E CB -0.677 29.042 29.700 0.032 0.000 0.966 274 E HN 0.276 nan 8.360 nan 0.000 0.491 275 N N -0.148 118.582 118.700 0.049 0.000 2.143 275 N HA 0.183 4.923 4.740 -0.000 0.000 0.222 275 N C -0.343 175.237 175.510 0.116 0.000 1.264 275 N CA 0.018 53.109 53.050 0.068 0.000 0.897 275 N CB 1.361 39.878 38.487 0.050 0.000 1.092 275 N HN 0.144 nan 8.380 nan 0.000 0.516 276 I N 0.877 121.512 120.570 0.108 0.000 2.412 276 I HA 0.528 4.698 4.170 -0.000 0.000 0.296 276 I C 0.093 176.294 176.117 0.140 0.000 0.987 276 I CA -0.740 60.663 61.300 0.172 0.000 1.180 276 I CB 1.824 39.908 38.000 0.141 0.000 1.340 276 I HN -0.111 nan 8.210 nan 0.000 0.455 277 A N 6.960 129.870 122.820 0.150 0.000 2.312 277 A HA 0.961 5.281 4.320 -0.000 0.000 0.310 277 A C -0.974 176.677 177.584 0.113 0.000 1.139 277 A CA -0.616 51.486 52.037 0.109 0.000 0.886 277 A CB 1.426 20.480 19.000 0.089 0.000 1.350 277 A HN 0.661 nan 8.150 nan 0.000 0.479 278 L N 0.643 121.922 121.223 0.094 0.000 2.528 278 L HA 0.469 4.809 4.340 -0.000 0.000 0.267 278 L C -0.581 176.339 176.870 0.082 0.000 0.961 278 L CA -0.197 54.704 54.840 0.102 0.000 0.866 278 L CB 2.095 44.212 42.059 0.097 0.000 1.248 278 L HN 0.642 nan 8.230 nan 0.000 0.404 279 S N 1.284 117.039 115.700 0.093 0.000 2.638 279 S HA 0.441 4.911 4.470 -0.000 0.000 0.302 279 S C 0.089 174.708 174.600 0.031 0.000 1.096 279 S CA -0.739 57.482 58.200 0.035 0.000 0.953 279 S CB 2.489 65.680 63.200 -0.016 0.000 1.107 279 S HN 0.410 nan 8.310 nan 0.000 0.503 280 K N 2.257 122.637 120.400 -0.033 0.000 2.684 280 K HA 0.240 4.560 4.320 -0.000 0.000 0.215 280 K C -0.628 175.833 176.600 -0.232 0.000 1.073 280 K CA -0.060 56.204 56.287 -0.039 0.000 1.197 280 K CB -0.800 31.691 32.500 -0.015 0.000 0.955 280 K HN 0.772 nan 8.250 nan 0.000 0.473 281 S N -1.767 113.656 115.700 -0.461 0.000 2.678 281 S HA 0.092 4.562 4.470 -0.000 0.000 0.290 281 S C -0.977 173.218 174.600 -0.676 0.000 1.047 281 S CA -0.990 56.744 58.200 -0.777 0.000 0.851 281 S CB 0.672 63.653 63.200 -0.365 0.000 1.058 281 S HN 0.086 nan 8.310 nan 0.000 0.451 282 S N 1.771 117.041 115.700 -0.716 0.000 2.422 282 S HA 0.719 5.189 4.470 -0.000 0.000 0.308 282 S C 0.040 174.577 174.600 -0.106 0.000 1.097 282 S CA -0.276 57.814 58.200 -0.184 0.000 1.099 282 S CB 0.583 63.879 63.200 0.160 0.000 0.976 282 S HN 0.895 nan 8.310 nan 0.000 0.471 283 T N 3.307 117.819 114.554 -0.069 0.000 2.897 283 T HA 0.377 4.727 4.350 -0.000 0.000 0.278 283 T C -0.180 174.505 174.700 -0.024 0.000 0.981 283 T CA -0.797 61.274 62.100 -0.048 0.000 0.973 283 T CB 0.780 69.621 68.868 -0.044 0.000 1.092 283 T HN 0.704 nan 8.240 nan 0.000 0.543 284 Q N 1.385 121.173 119.800 -0.020 0.000 2.490 284 Q HA 0.385 4.725 4.340 -0.000 0.000 0.226 284 Q C -0.346 175.647 176.000 -0.012 0.000 1.132 284 Q CA -0.226 55.569 55.803 -0.014 0.000 0.928 284 Q CB 0.645 29.377 28.738 -0.011 0.000 1.299 284 Q HN 0.509 nan 8.270 nan 0.000 0.528 285 S N 0.013 115.706 115.700 -0.012 0.000 2.677 285 S HA 0.156 4.626 4.470 -0.000 0.000 0.290 285 S C 1.176 175.772 174.600 -0.008 0.000 1.124 285 S CA -0.520 57.675 58.200 -0.008 0.000 1.017 285 S CB 1.084 64.280 63.200 -0.006 0.000 1.215 285 S HN 0.709 nan 8.310 nan 0.000 0.524 286 S N -0.081 115.618 115.700 -0.003 0.000 2.607 286 S HA 0.149 4.619 4.470 -0.000 0.000 0.224 286 S C 0.366 174.964 174.600 -0.004 0.000 0.969 286 S CA 0.141 58.340 58.200 -0.000 0.000 0.927 286 S CB -0.796 62.408 63.200 0.006 0.000 0.772 286 S HN 0.509 nan 8.310 nan 0.000 0.533 287 I N 2.710 123.272 120.570 -0.013 0.000 2.347 287 I HA 0.243 4.413 4.170 -0.000 0.000 0.294 287 I C 1.589 177.672 176.117 -0.056 0.000 1.090 287 I CA -0.706 60.576 61.300 -0.030 0.000 1.314 287 I CB 0.618 38.594 38.000 -0.038 0.000 1.423 287 I HN 0.071 nan 8.210 nan 0.000 0.503 288 R N 3.621 124.087 120.500 -0.057 0.000 2.081 288 R HA 0.007 4.347 4.340 -0.000 0.000 0.235 288 R C 0.326 176.545 176.300 -0.135 0.000 1.131 288 R CA 1.006 57.066 56.100 -0.066 0.000 0.960 288 R CB -0.205 30.076 30.300 -0.032 0.000 0.856 288 R HN 0.598 nan 8.270 nan 0.000 0.436 289 N N 0.600 119.144 118.700 -0.260 0.000 2.438 289 N HA 0.073 4.813 4.740 -0.000 0.000 0.282 289 N C -1.073 174.133 175.510 -0.506 0.000 1.037 289 N CA 0.128 52.869 53.050 -0.515 0.000 0.942 289 N CB 1.941 39.734 38.487 -1.156 0.000 1.136 289 N HN -0.093 nan 8.380 nan 0.000 0.481 290 S N 2.699 118.190 115.700 -0.348 0.000 2.545 290 S HA 0.425 4.895 4.470 -0.000 0.000 0.259 290 S C -1.337 173.170 174.600 -0.156 0.000 1.092 290 S CA -0.627 57.462 58.200 -0.185 0.000 1.054 290 S CB -0.024 63.157 63.200 -0.032 0.000 1.146 290 S HN 0.350 nan 8.310 nan 0.000 0.447 291 L N 3.822 124.947 121.223 -0.164 0.000 2.346 291 L HA 0.599 4.939 4.340 -0.000 0.000 0.274 291 L C 0.540 177.224 176.870 -0.310 0.000 1.007 291 L CA -0.848 53.882 54.840 -0.183 0.000 0.818 291 L CB 1.688 43.700 42.059 -0.078 0.000 1.284 291 L HN 0.533 nan 8.230 nan 0.000 0.424 292 Q N 0.675 120.231 119.800 -0.408 0.000 2.316 292 Q HA 0.707 5.047 4.340 -0.000 0.000 0.215 292 Q C 0.054 175.918 176.000 -0.228 0.000 1.020 292 Q CA 0.034 55.533 55.803 -0.507 0.000 0.970 292 Q CB 1.591 30.059 28.738 -0.450 0.000 1.187 292 Q HN 0.878 nan 8.270 nan 0.000 0.546 293 G N 0.016 108.720 108.800 -0.160 0.000 2.347 293 G HA2 0.037 3.997 3.960 -0.000 0.000 0.321 293 G HA3 0.037 3.997 3.960 -0.000 0.000 0.321 293 G C -1.561 173.327 174.900 -0.020 0.000 1.412 293 G CA -1.002 44.058 45.100 -0.066 0.000 0.990 293 G HN 0.468 nan 8.290 nan 0.000 0.637 294 R N -1.134 119.368 120.500 0.003 0.000 2.797 294 R HA 0.762 5.102 4.340 -0.000 0.000 0.251 294 R C 0.049 176.372 176.300 0.038 0.000 1.107 294 R CA -0.908 55.208 56.100 0.026 0.000 1.084 294 R CB 1.538 31.853 30.300 0.025 0.000 1.205 294 R HN 0.419 nan 8.270 nan 0.000 0.515 295 V N 0.566 120.510 119.914 0.051 0.000 2.732 295 V HA 0.104 4.224 4.120 -0.000 0.000 0.297 295 V C 0.649 176.782 176.094 0.065 0.000 1.060 295 V CA -0.030 62.309 62.300 0.065 0.000 1.038 295 V CB 1.410 33.276 31.823 0.073 0.000 1.003 295 V HN 0.862 nan 8.190 nan 0.000 0.481 296 T N 2.085 116.689 114.554 0.083 0.000 3.082 296 T HA 0.208 4.558 4.350 -0.000 0.000 0.235 296 T C 0.363 175.134 174.700 0.118 0.000 0.991 296 T CA 0.422 62.574 62.100 0.087 0.000 1.220 296 T CB 0.235 69.153 68.868 0.084 0.000 0.909 296 T HN 0.731 nan 8.240 nan 0.000 0.424 297 E N -0.257 120.055 120.200 0.187 0.000 2.383 297 E HA 0.660 5.010 4.350 -0.000 0.000 0.275 297 E C -1.698 175.085 176.600 0.305 0.000 0.918 297 E CA -0.764 55.773 56.400 0.229 0.000 0.764 297 E CB 2.457 32.382 29.700 0.375 0.000 1.252 297 E HN 0.252 nan 8.360 nan 0.000 0.449 298 A N 2.307 125.233 122.820 0.176 0.000 2.360 298 A HA 0.368 4.688 4.320 -0.000 0.000 0.309 298 A C -1.572 176.088 177.584 0.126 0.000 1.311 298 A CA -0.547 51.607 52.037 0.195 0.000 0.805 298 A CB 0.003 19.056 19.000 0.089 0.000 1.144 298 A HN 0.513 nan 8.150 nan 0.000 0.486 299 W N 3.251 124.583 121.300 0.054 0.000 2.226 299 W HA 0.416 5.076 4.660 -0.000 0.000 0.379 299 W C 0.013 176.518 176.519 -0.023 0.000 0.923 299 W CA -0.730 56.622 57.345 0.012 0.000 1.524 299 W CB 0.323 29.779 29.460 -0.007 0.000 1.552 299 W HN 0.387 nan 8.180 nan 0.000 0.337 300 V N 5.587 125.562 119.914 0.102 0.000 2.475 300 V HA -0.131 3.989 4.120 -0.000 0.000 0.292 300 V C 0.630 176.763 176.094 0.065 0.000 1.003 300 V CA 0.317 62.654 62.300 0.062 0.000 1.120 300 V CB -0.366 31.468 31.823 0.018 0.000 0.937 300 V HN 0.482 nan 8.190 nan 0.000 0.476 301 L N 5.294 126.545 121.223 0.047 0.000 2.783 301 L HA 0.754 5.094 4.340 -0.000 0.000 0.205 301 L C 1.608 178.486 176.870 0.014 0.000 1.985 301 L CA 1.195 56.051 54.840 0.027 0.000 2.546 301 L CB 0.290 42.343 42.059 -0.010 0.000 2.829 301 L HN 0.544 nan 8.230 nan 0.000 0.614 302 G N -0.807 107.994 108.800 0.002 0.000 2.688 302 G HA2 0.052 4.012 3.960 -0.000 0.000 0.211 302 G HA3 0.052 4.012 3.960 -0.000 0.000 0.211 302 G C 0.930 175.833 174.900 0.004 0.000 1.399 302 G CA 0.837 45.939 45.100 0.003 0.000 0.901 302 G HN 0.749 nan 8.290 nan 0.000 0.555 303 A N -1.012 121.809 122.820 0.002 0.000 2.115 303 A HA 0.564 4.884 4.320 -0.000 0.000 0.211 303 A C 1.189 178.778 177.584 0.007 0.000 1.169 303 A CA -0.034 52.006 52.037 0.005 0.000 0.787 303 A CB -0.073 18.929 19.000 0.004 0.000 0.858 303 A HN 0.288 nan 8.150 nan 0.000 0.474 304 L N -0.521 120.703 121.223 0.002 0.000 2.400 304 L HA 0.563 4.903 4.340 -0.000 0.000 0.264 304 L C -0.827 176.049 176.870 0.010 0.000 1.061 304 L CA -0.885 53.957 54.840 0.003 0.000 0.799 304 L CB 1.661 43.713 42.059 -0.011 0.000 1.240 304 L HN -0.071 nan 8.230 nan 0.000 0.461 305 V N 1.131 121.058 119.914 0.022 0.000 2.462 305 V HA 0.344 4.464 4.120 -0.000 0.000 0.288 305 V C -0.130 176.005 176.094 0.067 0.000 1.020 305 V CA -0.675 61.655 62.300 0.050 0.000 0.857 305 V CB 1.443 33.305 31.823 0.065 0.000 1.013 305 V HN 0.641 nan 8.190 nan 0.000 0.431 306 R N 2.438 122.965 120.500 0.046 0.000 2.643 306 R HA 0.666 5.006 4.340 -0.000 0.000 0.270 306 R C -0.909 175.563 176.300 0.286 0.000 1.061 306 R CA -0.138 55.993 56.100 0.051 0.000 1.107 306 R CB 1.298 31.337 30.300 -0.435 0.000 0.999 306 R HN 0.502 nan 8.270 nan 0.000 0.460 307 V N 2.553 122.685 119.914 0.363 0.000 2.777 307 V HA 0.250 4.370 4.120 -0.000 0.000 0.306 307 V C -0.667 175.573 176.094 0.244 0.000 1.112 307 V CA -0.927 61.554 62.300 0.302 0.000 0.917 307 V CB 2.210 34.149 31.823 0.194 0.000 1.018 307 V HN 0.652 nan 8.190 nan 0.000 0.426 308 K N 2.730 123.253 120.400 0.204 0.000 2.235 308 K HA 0.795 5.115 4.320 -0.000 0.000 0.266 308 K C -1.177 175.465 176.600 0.070 0.000 0.980 308 K CA -0.442 55.886 56.287 0.068 0.000 0.849 308 K CB 2.048 34.584 32.500 0.060 0.000 1.098 308 K HN 0.486 nan 8.250 nan 0.000 0.445 309 V N 1.945 121.877 119.914 0.031 0.000 2.815 309 V HA 0.225 4.345 4.120 -0.000 0.000 0.314 309 V C -0.567 175.533 176.094 0.010 0.000 1.064 309 V CA -0.839 61.482 62.300 0.036 0.000 0.952 309 V CB 1.960 33.811 31.823 0.047 0.000 1.020 309 V HN 0.708 nan 8.190 nan 0.000 0.439 310 D N 1.916 122.322 120.400 0.010 0.000 2.460 310 D HA 0.321 4.961 4.640 -0.000 0.000 0.232 310 D C -0.471 175.822 176.300 -0.013 0.000 1.079 310 D CA -0.209 53.789 54.000 -0.004 0.000 0.864 310 D CB 1.190 41.990 40.800 0.001 0.000 1.048 310 D HN 0.586 nan 8.370 nan 0.000 0.523 311 C N 2.797 122.086 119.300 -0.017 0.000 2.513 311 C HA 0.578 5.038 4.460 -0.000 0.000 0.281 311 C C 1.585 176.557 174.990 -0.030 0.000 1.501 311 C CA -0.113 58.886 59.018 -0.031 0.000 1.749 311 C CB -0.568 27.161 27.740 -0.018 0.000 2.955 311 C HN 0.868 nan 8.230 nan 0.000 0.532 312 G N 0.771 109.554 108.800 -0.029 0.000 2.304 312 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.252 312 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.252 312 G C 0.035 174.918 174.900 -0.029 0.000 1.014 312 G CA 0.587 45.670 45.100 -0.028 0.000 0.619 312 G HN 0.568 nan 8.290 nan 0.000 0.525 313 V N 1.864 121.762 119.914 -0.027 0.000 2.569 313 V HA 0.510 4.630 4.120 -0.000 0.000 0.301 313 V C -2.327 173.741 176.094 -0.043 0.000 1.044 313 V CA -1.563 60.715 62.300 -0.037 0.000 0.874 313 V CB 2.340 34.144 31.823 -0.032 0.000 1.002 313 V HN 0.094 nan 8.190 nan 0.000 0.424 314 P HA 0.246 nan 4.420 nan 0.000 0.262 314 P C -0.926 176.313 177.300 -0.101 0.000 1.199 314 P CA 0.331 63.387 63.100 -0.073 0.000 0.763 314 P CB 0.345 31.995 31.700 -0.082 0.000 0.790 315 L N 3.950 125.117 121.223 -0.092 0.000 2.386 315 L HA 0.399 4.739 4.340 -0.000 0.000 0.271 315 L C 0.044 176.830 176.870 -0.141 0.000 0.993 315 L CA -0.729 54.045 54.840 -0.111 0.000 0.819 315 L CB 2.103 44.136 42.059 -0.043 0.000 1.294 315 L HN 0.241 nan 8.230 nan 0.000 0.414 316 N N 2.669 121.242 118.700 -0.212 0.000 2.485 316 N HA 0.346 5.086 4.740 -0.000 0.000 0.243 316 N C -0.684 174.818 175.510 -0.012 0.000 0.987 316 N CA -0.149 52.737 53.050 -0.274 0.000 0.940 316 N CB 2.171 40.267 38.487 -0.652 0.000 1.122 316 N HN 0.165 nan 8.380 nan 0.000 0.509 317 V N 2.258 122.234 119.914 0.103 0.000 2.732 317 V HA 0.477 4.597 4.120 -0.000 0.000 0.310 317 V C -0.071 176.140 176.094 0.195 0.000 1.053 317 V CA -0.851 61.529 62.300 0.133 0.000 0.957 317 V CB 2.088 33.979 31.823 0.113 0.000 1.018 317 V HN 0.381 nan 8.190 nan 0.000 0.452 318 L N 3.959 125.263 121.223 0.136 0.000 2.365 318 L HA 0.720 5.060 4.340 -0.000 0.000 0.273 318 L C -0.745 176.169 176.870 0.075 0.000 1.000 318 L CA 0.072 54.972 54.840 0.099 0.000 0.819 318 L CB 1.461 43.562 42.059 0.071 0.000 1.284 318 L HN 0.544 nan 8.230 nan 0.000 0.418 319 I N 1.563 122.170 120.570 0.062 0.000 2.894 319 I HA 0.353 4.523 4.170 -0.000 0.000 0.302 319 I C -0.222 175.918 176.117 0.039 0.000 1.188 319 I CA -0.876 60.456 61.300 0.054 0.000 1.014 319 I CB 2.643 40.681 38.000 0.063 0.000 1.242 319 I HN 0.658 nan 8.210 nan 0.000 0.430 320 T N 0.657 115.231 114.554 0.033 0.000 2.928 320 T HA 0.098 4.448 4.350 -0.000 0.000 0.305 320 T C 1.084 175.800 174.700 0.027 0.000 1.035 320 T CA -0.257 61.858 62.100 0.025 0.000 1.145 320 T CB 1.020 69.902 68.868 0.023 0.000 0.963 320 T HN 0.773 nan 8.240 nan 0.000 0.545 321 R N 1.710 122.224 120.500 0.023 0.000 2.117 321 R HA -0.204 4.136 4.340 -0.000 0.000 0.243 321 R C 2.438 178.752 176.300 0.023 0.000 1.143 321 R CA 1.625 57.739 56.100 0.024 0.000 0.968 321 R CB -0.203 30.108 30.300 0.018 0.000 0.863 321 R HN 0.704 nan 8.270 nan 0.000 0.444 322 R N -0.003 120.509 120.500 0.019 0.000 2.081 322 R HA -0.003 4.337 4.340 -0.000 0.000 0.235 322 R C 2.163 178.475 176.300 0.020 0.000 1.131 322 R CA 2.113 58.224 56.100 0.017 0.000 0.960 322 R CB -0.274 30.034 30.300 0.014 0.000 0.856 322 R HN 0.146 nan 8.270 nan 0.000 0.436 323 S N -0.100 115.614 115.700 0.024 0.000 2.402 323 S HA -0.059 4.411 4.470 -0.000 0.000 0.229 323 S C 1.817 176.435 174.600 0.031 0.000 1.021 323 S CA 0.937 59.153 58.200 0.027 0.000 0.974 323 S CB -0.168 63.050 63.200 0.031 0.000 0.800 323 S HN 0.547 nan 8.310 nan 0.000 0.484 324 A N 1.250 124.091 122.820 0.034 0.000 2.125 324 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 324 A C 1.914 179.517 177.584 0.032 0.000 1.156 324 A CA 1.118 53.178 52.037 0.039 0.000 0.671 324 A CB -0.258 18.768 19.000 0.044 0.000 0.794 324 A HN 0.555 nan 8.150 nan 0.000 0.459 325 E N -0.639 119.576 120.200 0.025 0.000 2.251 325 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 325 E C 1.620 178.230 176.600 0.018 0.000 0.964 325 E CA 0.509 56.921 56.400 0.020 0.000 0.868 325 E CB -0.074 29.635 29.700 0.015 0.000 0.828 325 E HN 0.721 nan 8.360 nan 0.000 0.481 326 E N 0.502 120.713 120.200 0.018 0.000 2.204 326 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 326 E C 1.093 177.704 176.600 0.018 0.000 0.989 326 E CA 0.667 57.076 56.400 0.016 0.000 0.824 326 E CB 0.129 29.838 29.700 0.015 0.000 0.756 326 E HN 0.216 nan 8.360 nan 0.000 0.477 327 M N 0.216 119.830 119.600 0.023 0.000 2.544 327 M HA 0.193 4.673 4.480 -0.000 0.000 0.239 327 M C -0.306 176.011 176.300 0.028 0.000 1.030 327 M CA -0.321 54.995 55.300 0.027 0.000 1.193 327 M CB 1.062 33.683 32.600 0.035 0.000 1.346 327 M HN -0.236 nan 8.290 nan 0.000 0.651 328 E N 0.929 121.149 120.200 0.033 0.000 2.176 328 E HA 0.228 4.578 4.350 -0.000 0.000 0.267 328 E C -0.386 176.237 176.600 0.038 0.000 0.893 328 E CA -0.385 56.034 56.400 0.032 0.000 0.761 328 E CB 2.027 31.745 29.700 0.029 0.000 1.133 328 E HN 0.370 nan 8.360 nan 0.000 0.409 329 L N 1.955 123.198 121.223 0.034 0.000 2.552 329 L HA 0.038 4.378 4.340 -0.000 0.000 0.227 329 L C 0.241 177.132 176.870 0.035 0.000 1.146 329 L CA 0.790 55.653 54.840 0.038 0.000 0.858 329 L CB 0.168 42.244 42.059 0.028 0.000 0.969 329 L HN 0.353 nan 8.230 nan 0.000 0.451 330 S N 1.861 117.578 115.700 0.030 0.000 2.811 330 S HA 0.004 4.474 4.470 -0.000 0.000 0.325 330 S C -2.152 172.468 174.600 0.034 0.000 1.224 330 S CA -0.567 57.649 58.200 0.026 0.000 1.125 330 S CB -0.082 63.132 63.200 0.024 0.000 0.867 330 S HN 0.117 nan 8.310 nan 0.000 0.512 331 P HA 0.221 nan 4.420 nan 0.000 0.252 331 P C 0.795 178.116 177.300 0.034 0.000 1.694 331 P CA 0.436 63.559 63.100 0.037 0.000 1.163 331 P CB -0.179 31.538 31.700 0.028 0.000 1.934 332 G N 0.624 109.446 108.800 0.038 0.000 3.732 332 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.220 332 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.220 332 G C -0.114 174.807 174.900 0.035 0.000 0.903 332 G CA -0.498 44.622 45.100 0.033 0.000 0.896 332 G HN 0.276 nan 8.290 nan 0.000 0.685 333 V N 1.809 121.748 119.914 0.041 0.000 2.655 333 V HA 0.255 4.375 4.120 -0.000 0.000 0.300 333 V C 1.108 177.235 176.094 0.055 0.000 1.044 333 V CA -0.013 62.314 62.300 0.046 0.000 1.095 333 V CB 1.471 33.324 31.823 0.049 0.000 0.952 333 V HN 0.472 nan 8.190 nan 0.000 0.485 334 Q N 2.837 122.673 119.800 0.060 0.000 2.361 334 Q HA 0.442 4.782 4.340 -0.000 0.000 0.276 334 Q C -0.784 175.285 176.000 0.114 0.000 1.022 334 Q CA 0.334 56.184 55.803 0.078 0.000 0.898 334 Q CB 0.615 29.408 28.738 0.092 0.000 1.246 334 Q HN 0.670 nan 8.270 nan 0.000 0.410 335 I N 1.982 122.626 120.570 0.123 0.000 3.004 335 I HA 0.242 4.412 4.170 -0.000 0.000 0.305 335 I C -1.748 174.481 176.117 0.186 0.000 1.312 335 I CA -0.906 60.498 61.300 0.174 0.000 0.992 335 I CB 1.966 40.030 38.000 0.106 0.000 1.282 335 I HN 0.613 nan 8.210 nan 0.000 0.449 336 Y N 3.418 123.730 120.300 0.019 0.000 2.376 336 Y HA 0.576 5.126 4.550 -0.000 0.000 0.326 336 Y C 0.272 176.186 175.900 0.022 0.000 0.970 336 Y CA -0.826 57.280 58.100 0.010 0.000 1.248 336 Y CB 1.868 40.326 38.460 -0.002 0.000 1.117 336 Y HN 0.459 nan 8.280 nan 0.000 0.476 337 A N 6.074 128.948 122.820 0.089 0.000 2.343 337 A HA 0.607 4.927 4.320 -0.000 0.000 0.305 337 A C -0.124 177.511 177.584 0.085 0.000 1.308 337 A CA -0.757 51.353 52.037 0.121 0.000 0.949 337 A CB -0.156 18.926 19.000 0.136 0.000 1.148 337 A HN 0.757 nan 8.150 nan 0.000 0.545 338 R N 2.121 122.676 120.500 0.091 0.000 2.437 338 R HA 0.721 5.061 4.340 -0.000 0.000 0.310 338 R C -1.414 174.928 176.300 0.070 0.000 0.955 338 R CA -0.464 55.616 56.100 -0.033 0.000 0.851 338 R CB 1.097 31.396 30.300 -0.001 0.000 1.161 338 R HN 0.581 nan 8.270 nan 0.000 0.446 339 F N -0.990 118.980 119.950 0.033 0.000 2.578 339 F HA 0.523 5.050 4.527 0.000 0.000 0.311 339 F C -0.274 175.542 175.800 0.027 0.000 1.094 339 F CA -1.717 56.301 58.000 0.029 0.000 0.923 339 F CB 1.476 40.490 39.000 0.025 0.000 1.230 339 F HN 0.378 nan 8.300 nan 0.000 0.450 340 K N 1.738 122.284 120.400 0.243 0.000 2.448 340 K HA 0.424 4.744 4.320 -0.000 0.000 0.278 340 K C 0.969 177.700 176.600 0.219 0.000 1.009 340 K CA 0.534 56.912 56.287 0.152 0.000 0.995 340 K CB 1.242 33.811 32.500 0.116 0.000 0.917 340 K HN 0.938 nan 8.250 nan 0.000 0.481 341 A N 2.607 125.508 122.820 0.134 0.000 1.929 341 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 341 A C 1.712 179.371 177.584 0.125 0.000 1.176 341 A CA 1.682 53.806 52.037 0.144 0.000 0.628 341 A CB -0.479 18.567 19.000 0.076 0.000 0.816 341 A HN 0.822 nan 8.150 nan 0.000 0.444 342 S N 0.238 115.995 115.700 0.094 0.000 2.607 342 S HA 0.013 4.483 4.470 -0.000 0.000 0.224 342 S C 1.170 175.820 174.600 0.082 0.000 0.969 342 S CA 0.845 59.091 58.200 0.077 0.000 0.927 342 S CB -0.447 62.785 63.200 0.055 0.000 0.772 342 S HN 0.736 nan 8.310 nan 0.000 0.533 343 S N -0.204 115.558 115.700 0.103 0.000 2.593 343 S HA 0.374 4.844 4.470 -0.000 0.000 0.236 343 S C 0.011 174.667 174.600 0.093 0.000 0.991 343 S CA -0.515 57.737 58.200 0.087 0.000 0.963 343 S CB 0.158 63.410 63.200 0.086 0.000 0.865 343 S HN 0.236 nan 8.310 nan 0.000 0.488 344 V N 3.302 123.287 119.914 0.118 0.000 2.311 344 V HA 0.370 4.490 4.120 -0.000 0.000 0.275 344 V C -0.395 175.793 176.094 0.156 0.000 1.022 344 V CA -0.610 61.756 62.300 0.109 0.000 0.830 344 V CB 0.278 32.169 31.823 0.114 0.000 1.012 344 V HN 0.524 nan 8.190 nan 0.000 0.452 345 H N 4.365 123.474 119.070 0.066 0.000 2.620 345 H HA 0.582 5.138 4.556 -0.000 0.000 0.313 345 H C -0.693 174.696 175.328 0.102 0.000 1.075 345 H CA -0.177 55.898 56.048 0.045 0.000 1.397 345 H CB 1.394 31.144 29.762 -0.020 0.000 1.446 345 H HN 0.392 nan 8.280 nan 0.000 0.493 346 V N 7.394 127.142 119.914 -0.278 0.000 2.459 346 V HA 0.335 4.455 4.120 -0.000 0.000 0.295 346 V C -0.123 175.793 176.094 -0.298 0.000 1.029 346 V CA -0.725 61.475 62.300 -0.167 0.000 0.874 346 V CB 1.431 33.220 31.823 -0.056 0.000 0.985 346 V HN 0.645 nan 8.190 nan 0.000 0.438 347 L N 4.445 125.613 121.223 -0.092 0.000 2.323 347 L HA 0.763 5.103 4.340 -0.000 0.000 0.265 347 L C -0.131 176.777 176.870 0.064 0.000 1.012 347 L CA -0.638 54.154 54.840 -0.080 0.000 0.820 347 L CB 2.395 44.397 42.059 -0.096 0.000 1.334 347 L HN 0.656 nan 8.230 nan 0.000 0.427 348 R N 0.000 120.514 120.500 0.023 0.000 2.786 348 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 348 R CA 0.000 56.138 56.100 0.063 0.000 0.921 348 R CB 0.000 30.319 30.300 0.032 0.000 0.687 348 R HN 0.000 nan 8.270 nan 0.000 0.535