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 2nz1_1_A DATA FIRST_RESID 12 DATA SEQUENCE HSSGVSTQSV DLSQIKRGDE IQAHcLTPAE TEVTEcAGIL KDVLSKNLHE DATA SEQUENCE LQGLcNVKNK MGVPWVSVEE LGQEIITGRL PFPSVGGTPV NDLVRVLVVA DATA SEQUENCE ESNTPEETPE EEFYAYVELQ TELYTFGLSD DNVVFTSDYM TVWMIDIPKS DATA SEQUENCE YVDVGMLTRA TFLEQWPGAK VTVMIPYSST FTWcGELGAI SEESAPQPSL DATA SEQUENCE SARSPVcKNS ARYSTSKFCE VDGcTAETGM EKMSLLTPFG GPPQQAKMNT DATA SEQUENCE cPcYYKYSVS PLPAMDHLIL ADLAGLDSLT SPVYVMAAYF DSTHENPVRP DATA SEQUENCE SSKLYHcALQ MTSHDGVWTS TSSEQcPIRL VEGQSQNVLQ VRVAPTSMPN DATA SEQUENCE LVGVSLMLEG QQYRLEYFGD H 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 12 H HA 0.000 nan 4.556 nan 0.000 0.296 12 H C 0.000 175.306 175.328 -0.037 0.000 0.993 12 H CA 0.000 56.030 56.048 -0.029 0.000 1.023 12 H CB 0.000 29.745 29.762 -0.029 0.000 1.292 13 S N -0.182 115.595 115.700 0.129 0.000 2.751 13 S HA 0.497 4.967 4.470 0.000 0.000 0.247 13 S C -0.190 174.408 174.600 -0.004 0.000 1.103 13 S CA 0.008 58.226 58.200 0.031 0.000 1.090 13 S CB 0.387 63.595 63.200 0.012 0.000 0.928 13 S HN 0.620 nan 8.310 nan 0.000 0.502 14 S N -0.643 115.054 115.700 -0.005 0.000 2.580 14 S HA 0.733 5.204 4.470 0.000 0.000 0.281 14 S C -0.535 174.029 174.600 -0.061 0.000 1.129 14 S CA 0.210 58.379 58.200 -0.051 0.000 0.862 14 S CB 0.926 64.084 63.200 -0.070 0.000 1.090 14 S HN 1.733 nan 8.310 nan 0.000 0.451 15 G N 1.013 109.771 108.800 -0.070 0.000 2.359 15 G HA2 0.441 4.401 3.960 0.000 0.000 0.293 15 G HA3 0.441 4.401 3.960 0.000 0.000 0.293 15 G C -2.093 172.764 174.900 -0.071 0.000 1.300 15 G CA 0.114 45.174 45.100 -0.067 0.000 0.888 15 G HN 1.399 nan 8.290 nan 0.000 0.541 16 V N 0.637 120.516 119.914 -0.058 0.000 2.709 16 V HA 0.891 5.011 4.120 0.000 0.000 0.308 16 V C 0.096 176.168 176.094 -0.038 0.000 1.062 16 V CA -0.009 62.257 62.300 -0.056 0.000 0.901 16 V CB 1.650 33.450 31.823 -0.039 0.000 1.003 16 V HN 1.771 nan 8.190 nan 0.000 0.425 17 S N 1.812 117.483 115.700 -0.049 0.000 2.579 17 S HA 0.913 5.383 4.470 0.000 0.000 0.272 17 S C -0.616 173.980 174.600 -0.007 0.000 1.141 17 S CA -0.327 57.861 58.200 -0.019 0.000 0.843 17 S CB 2.366 65.543 63.200 -0.038 0.000 1.122 17 S HN 1.116 nan 8.310 nan 0.000 0.468 18 T N -1.441 113.147 114.554 0.057 0.000 2.887 18 T HA 0.889 5.239 4.350 0.000 0.000 0.292 18 T C -1.030 173.746 174.700 0.127 0.000 1.087 18 T CA -0.648 61.527 62.100 0.125 0.000 1.009 18 T CB 1.686 70.737 68.868 0.306 0.000 1.203 18 T HN 1.325 nan 8.240 nan 0.000 0.518 19 Q N -0.445 119.470 119.800 0.192 0.000 2.776 19 Q HA 0.549 4.889 4.340 0.000 0.000 0.289 19 Q C -1.685 174.449 176.000 0.223 0.000 0.912 19 Q CA -1.053 54.837 55.803 0.144 0.000 0.789 19 Q CB 0.829 29.597 28.738 0.051 0.000 1.498 19 Q HN 0.573 nan 8.270 nan 0.000 0.408 20 S N 0.350 116.144 115.700 0.158 0.000 2.585 20 S HA 0.604 5.074 4.470 0.000 0.000 0.277 20 S C -0.643 174.031 174.600 0.122 0.000 1.241 20 S CA -0.579 57.728 58.200 0.179 0.000 1.041 20 S CB 1.363 64.630 63.200 0.112 0.000 0.987 20 S HN 0.372 nan 8.310 nan 0.000 0.512 21 V N 3.024 123.017 119.914 0.133 0.000 2.376 21 V HA 0.350 4.470 4.120 0.000 0.000 0.287 21 V C -0.641 175.499 176.094 0.077 0.000 1.015 21 V CA -0.688 61.658 62.300 0.077 0.000 0.834 21 V CB 1.521 33.376 31.823 0.053 0.000 1.001 21 V HN 0.788 nan 8.190 nan 0.000 0.428 22 D N 4.377 124.809 120.400 0.054 0.000 2.464 22 D HA 0.357 4.997 4.640 0.000 0.000 0.243 22 D C 1.019 177.339 176.300 0.033 0.000 1.104 22 D CA -0.356 53.672 54.000 0.047 0.000 0.883 22 D CB 1.621 42.446 40.800 0.042 0.000 1.050 22 D HN 0.383 nan 8.370 nan 0.000 0.524 23 L N 1.924 123.167 121.223 0.033 0.000 2.129 23 L HA -0.212 4.128 4.340 0.000 0.000 0.212 23 L C 2.224 179.106 176.870 0.019 0.000 1.087 23 L CA 0.799 55.653 54.840 0.024 0.000 0.757 23 L CB -0.325 41.751 42.059 0.028 0.000 0.896 23 L HN 0.295 nan 8.230 nan 0.000 0.434 24 S N -0.075 115.638 115.700 0.021 0.000 2.374 24 S HA -0.229 4.241 4.470 0.000 0.000 0.227 24 S C 1.419 176.026 174.600 0.012 0.000 1.037 24 S CA 1.471 59.681 58.200 0.017 0.000 1.024 24 S CB -0.308 62.903 63.200 0.017 0.000 0.861 24 S HN 0.619 nan 8.310 nan 0.000 0.456 25 Q N 0.358 120.165 119.800 0.012 0.000 2.286 25 Q HA 0.425 4.765 4.340 0.000 0.000 0.281 25 Q C -0.547 175.455 176.000 0.004 0.000 0.897 25 Q CA 0.058 55.866 55.803 0.008 0.000 1.023 25 Q CB -0.244 28.499 28.738 0.009 0.000 1.151 25 Q HN 0.441 nan 8.270 nan 0.000 0.445 26 I N 1.899 122.471 120.570 0.003 0.000 2.468 26 I HA 0.211 4.381 4.170 0.000 0.000 0.285 26 I C -0.390 175.724 176.117 -0.005 0.000 1.039 26 I CA -1.193 60.105 61.300 -0.003 0.000 1.074 26 I CB 1.870 39.869 38.000 -0.003 0.000 1.228 26 I HN -0.055 nan 8.210 nan 0.000 0.436 27 K N 7.365 127.759 120.400 -0.011 0.000 2.264 27 K HA -0.054 4.266 4.320 0.000 0.000 0.262 27 K C 0.387 176.982 176.600 -0.009 0.000 1.247 27 K CA 0.505 56.785 56.287 -0.012 0.000 1.248 27 K CB -0.358 32.130 32.500 -0.021 0.000 0.825 27 K HN 0.562 nan 8.250 nan 0.000 0.468 28 R N 0.161 120.661 120.500 0.001 0.000 3.531 28 R HA -0.191 4.149 4.340 0.000 0.000 0.280 28 R C 1.252 177.560 176.300 0.013 0.000 1.130 28 R CA 0.378 56.484 56.100 0.009 0.000 0.757 28 R CB -2.301 28.003 30.300 0.006 0.000 1.218 28 R HN 0.837 nan 8.270 nan 0.000 0.454 29 G N 0.701 109.507 108.800 0.010 0.000 2.422 29 G HA2 -0.277 3.684 3.960 0.000 0.000 0.218 29 G HA3 -0.277 3.684 3.960 0.000 0.000 0.218 29 G C 1.020 175.932 174.900 0.021 0.000 1.146 29 G CA 1.144 46.250 45.100 0.010 0.000 0.769 29 G HN 0.341 nan 8.290 nan 0.000 0.547 30 D N 0.666 121.083 120.400 0.027 0.000 2.144 30 D HA -0.067 4.573 4.640 0.000 0.000 0.199 30 D C 2.439 178.768 176.300 0.049 0.000 0.984 30 D CA 0.951 54.970 54.000 0.032 0.000 0.834 30 D CB -0.114 40.706 40.800 0.033 0.000 0.955 30 D HN 0.483 nan 8.370 nan 0.000 0.465 31 E N 0.295 120.540 120.200 0.075 0.000 2.072 31 E HA -0.072 4.278 4.350 0.000 0.000 0.190 31 E C 2.406 179.095 176.600 0.149 0.000 0.982 31 E CA 0.306 56.800 56.400 0.155 0.000 0.803 31 E CB 0.088 29.865 29.700 0.129 0.000 0.755 31 E HN 0.293 nan 8.360 nan 0.000 0.453 32 I N 1.338 121.951 120.570 0.073 0.000 2.099 32 I HA -0.320 3.850 4.170 0.000 0.000 0.239 32 I C 2.874 179.016 176.117 0.042 0.000 1.066 32 I CA 1.224 62.554 61.300 0.051 0.000 1.324 32 I CB -0.400 37.606 38.000 0.011 0.000 1.037 32 I HN 0.154 nan 8.210 nan 0.000 0.401 33 Q N 1.120 120.933 119.800 0.022 0.000 2.112 33 Q HA -0.264 4.076 4.340 0.000 0.000 0.206 33 Q C 2.210 178.199 176.000 -0.018 0.000 0.987 33 Q CA 2.403 58.209 55.803 0.005 0.000 0.858 33 Q CB -0.076 28.668 28.738 0.009 0.000 0.905 33 Q HN 0.588 nan 8.270 nan 0.000 0.420 34 A N -0.584 122.209 122.820 -0.044 0.000 1.975 34 A HA -0.095 4.225 4.320 0.000 0.000 0.215 34 A C 1.489 178.889 177.584 -0.307 0.000 1.170 34 A CA 0.923 52.854 52.037 -0.177 0.000 0.656 34 A CB -0.279 18.576 19.000 -0.242 0.000 0.821 34 A HN 0.448 nan 8.150 nan 0.000 0.449 35 H N -2.757 116.320 119.070 0.012 0.000 2.740 35 H HA 0.165 4.721 4.556 0.000 0.000 0.265 35 H C 1.154 176.492 175.328 0.015 0.000 0.978 35 H CA 0.761 56.817 56.048 0.015 0.000 1.198 35 H CB 0.517 30.288 29.762 0.015 0.000 1.467 35 H HN 0.541 nan 8.280 nan 0.000 0.511 36 c N -0.226 118.431 118.600 0.095 0.000 2.937 36 c HA 0.249 4.819 4.570 0.000 0.000 0.426 36 c C 2.055 176.163 174.090 0.030 0.000 1.321 36 c CA -0.089 56.278 56.329 0.063 0.000 2.082 36 c CB 0.271 42.811 42.510 0.048 0.000 2.834 36 c HN 0.294 nan 8.230 nan 0.000 0.593 37 L N 0.713 121.943 121.223 0.012 0.000 2.769 37 L HA 0.219 4.559 4.340 0.000 0.000 0.240 37 L C -0.142 176.719 176.870 -0.015 0.000 1.163 37 L CA 0.718 55.555 54.840 -0.004 0.000 0.962 37 L CB 0.036 42.090 42.059 -0.008 0.000 1.258 37 L HN 0.253 nan 8.230 nan 0.000 0.513 38 T N 1.143 115.687 114.554 -0.018 0.000 2.921 38 T HA 0.316 4.666 4.350 0.000 0.000 0.297 38 T C -2.694 171.993 174.700 -0.021 0.000 1.013 38 T CA -1.176 60.906 62.100 -0.029 0.000 0.990 38 T CB 2.370 71.207 68.868 -0.052 0.000 1.023 38 T HN -0.180 nan 8.240 nan 0.000 0.447 39 P HA 0.362 nan 4.420 nan 0.000 0.264 39 P C -0.588 176.711 177.300 -0.002 0.000 1.229 39 P CA 0.100 63.199 63.100 -0.002 0.000 0.780 39 P CB 0.792 32.489 31.700 -0.006 0.000 0.808 40 A N 4.359 127.188 122.820 0.015 0.000 2.841 40 A HA 0.390 4.710 4.320 0.000 0.000 0.188 40 A C -0.389 177.228 177.584 0.055 0.000 1.149 40 A CA -0.238 51.813 52.037 0.023 0.000 1.384 40 A CB -0.229 18.776 19.000 0.008 0.000 1.874 40 A HN 0.367 nan 8.150 nan 0.000 0.643 41 E N 1.896 122.152 120.200 0.094 0.000 2.480 41 E HA 0.234 4.584 4.350 0.000 0.000 0.258 41 E C 0.501 177.142 176.600 0.068 0.000 0.984 41 E CA 0.776 57.226 56.400 0.084 0.000 0.930 41 E CB 0.224 29.985 29.700 0.101 0.000 0.936 41 E HN 0.542 nan 8.360 nan 0.000 0.466 42 T N 0.371 114.958 114.554 0.055 0.000 3.439 42 T HA 0.000 4.350 4.350 0.000 0.000 0.251 42 T C 0.112 174.845 174.700 0.055 0.000 1.108 42 T CA -0.213 61.919 62.100 0.053 0.000 0.982 42 T CB -0.783 68.112 68.868 0.045 0.000 1.024 42 T HN 0.551 nan 8.240 nan 0.000 0.573 43 E N -0.259 119.974 120.200 0.057 0.000 2.392 43 E HA 0.477 4.827 4.350 0.000 0.000 0.269 43 E C 0.455 177.090 176.600 0.058 0.000 0.924 43 E CA -1.169 55.263 56.400 0.053 0.000 0.784 43 E CB 1.994 31.718 29.700 0.042 0.000 1.292 43 E HN 0.034 nan 8.360 nan 0.000 0.447 44 V N -1.837 118.111 119.914 0.057 0.000 3.541 44 V HA -0.037 4.083 4.120 0.000 0.000 0.267 44 V C 1.542 177.661 176.094 0.042 0.000 1.213 44 V CA 1.148 63.483 62.300 0.058 0.000 1.149 44 V CB -0.624 31.239 31.823 0.067 0.000 0.822 44 V HN 0.737 nan 8.190 nan 0.000 0.462 45 T N 1.443 116.015 114.554 0.029 0.000 2.635 45 T HA -0.223 4.127 4.350 0.000 0.000 0.267 45 T C 1.759 176.457 174.700 -0.003 0.000 1.040 45 T CA 2.566 64.673 62.100 0.012 0.000 1.156 45 T CB -0.244 68.627 68.868 0.006 0.000 0.863 45 T HN 0.586 nan 8.240 nan 0.000 0.430 46 E N 0.350 120.542 120.200 -0.013 0.000 2.023 46 E HA -0.104 4.246 4.350 0.000 0.000 0.196 46 E C 2.445 179.020 176.600 -0.041 0.000 1.003 46 E CA 1.070 57.427 56.400 -0.071 0.000 0.809 46 E CB -1.079 28.555 29.700 -0.110 0.000 0.755 46 E HN 0.532 nan 8.360 nan 0.000 0.449 47 c N 0.637 119.253 118.600 0.028 0.000 2.425 47 c HA -0.031 4.539 4.570 0.000 0.000 0.277 47 c C 2.728 176.842 174.090 0.040 0.000 1.280 47 c CA 1.148 57.508 56.329 0.052 0.000 1.744 47 c CB -1.146 41.410 42.510 0.077 0.000 1.989 47 c HN 0.459 nan 8.230 nan 0.000 0.491 48 A N 0.466 123.309 122.820 0.040 0.000 1.902 48 A HA 0.105 4.425 4.320 0.000 0.000 0.217 48 A C 2.499 180.112 177.584 0.048 0.000 1.181 48 A CA 2.071 54.139 52.037 0.052 0.000 0.623 48 A CB -1.485 17.536 19.000 0.036 0.000 0.818 48 A HN 0.687 nan 8.150 nan 0.000 0.443 49 G N 0.090 108.899 108.800 0.015 0.000 2.418 49 G HA2 -0.177 3.783 3.960 0.000 0.000 0.217 49 G HA3 -0.177 3.783 3.960 0.000 0.000 0.217 49 G C 1.516 176.422 174.900 0.010 0.000 1.158 49 G CA 1.146 46.250 45.100 0.006 0.000 0.771 49 G HN 0.493 nan 8.290 nan 0.000 0.545 50 I N 0.283 120.852 120.570 -0.001 0.000 2.142 50 I HA -0.115 4.055 4.170 0.000 0.000 0.240 50 I C 2.684 178.803 176.117 0.003 0.000 1.078 50 I CA 0.751 62.049 61.300 -0.003 0.000 1.343 50 I CB -0.276 37.723 38.000 -0.001 0.000 1.046 50 I HN 0.096 nan 8.210 nan 0.000 0.405 51 L N 0.655 121.888 121.223 0.017 0.000 2.141 51 L HA -0.198 4.142 4.340 0.000 0.000 0.209 51 L C 2.636 179.550 176.870 0.073 0.000 1.094 51 L CA 1.225 56.055 54.840 -0.017 0.000 0.763 51 L CB -0.526 41.533 42.059 0.000 0.000 0.908 51 L HN 0.265 nan 8.230 nan 0.000 0.437 52 K N 0.289 120.807 120.400 0.197 0.000 2.097 52 K HA -0.248 4.072 4.320 0.000 0.000 0.206 52 K C 1.714 178.409 176.600 0.158 0.000 1.049 52 K CA 1.969 58.418 56.287 0.270 0.000 0.933 52 K CB 0.047 32.624 32.500 0.129 0.000 0.717 52 K HN 0.236 nan 8.250 nan 0.000 0.442 53 D N -0.380 120.060 120.400 0.067 0.000 2.162 53 D HA -0.098 4.542 4.640 0.000 0.000 0.205 53 D C 1.762 178.063 176.300 0.003 0.000 0.964 53 D CA 1.020 55.038 54.000 0.031 0.000 0.847 53 D CB 0.221 41.028 40.800 0.012 0.000 0.988 53 D HN 0.034 nan 8.370 nan 0.000 0.480 54 V N 0.358 120.254 119.914 -0.031 0.000 2.323 54 V HA -0.125 3.995 4.120 0.000 0.000 0.244 54 V C 2.349 178.367 176.094 -0.127 0.000 1.041 54 V CA 1.010 63.267 62.300 -0.071 0.000 1.025 54 V CB -0.537 31.235 31.823 -0.084 0.000 0.656 54 V HN 0.199 nan 8.190 nan 0.000 0.451 55 L N 0.109 121.186 121.223 -0.243 0.000 2.376 55 L HA 0.007 4.347 4.340 0.000 0.000 0.219 55 L C 2.445 179.212 176.870 -0.172 0.000 1.133 55 L CA 1.373 55.966 54.840 -0.412 0.000 0.816 55 L CB -0.966 40.401 42.059 -1.153 0.000 0.933 55 L HN 0.211 nan 8.230 nan 0.000 0.449 56 S N -0.870 114.838 115.700 0.014 0.000 2.428 56 S HA -0.074 4.396 4.470 0.000 0.000 0.230 56 S C 1.872 176.482 174.600 0.017 0.000 1.014 56 S CA 0.959 59.216 58.200 0.095 0.000 0.957 56 S CB 0.049 63.318 63.200 0.114 0.000 0.784 56 S HN 0.439 nan 8.310 nan 0.000 0.499 57 K N 0.451 120.841 120.400 -0.017 0.000 2.308 57 K HA 0.173 4.493 4.320 0.000 0.000 0.197 57 K C 0.214 176.787 176.600 -0.045 0.000 1.049 57 K CA 0.297 56.570 56.287 -0.024 0.000 0.991 57 K CB 0.187 32.675 32.500 -0.020 0.000 0.836 57 K HN 0.084 nan 8.250 nan 0.000 0.500 58 N N 0.934 119.588 118.700 -0.077 0.000 2.675 58 N HA 0.054 4.794 4.740 0.000 0.000 0.254 58 N C -0.036 175.374 175.510 -0.168 0.000 1.224 58 N CA -0.152 52.842 53.050 -0.094 0.000 0.777 58 N CB 0.852 39.300 38.487 -0.065 0.000 1.256 58 N HN -0.120 nan 8.380 nan 0.000 0.531 59 L N 2.075 123.160 121.223 -0.230 0.000 2.189 59 L HA -0.049 4.291 4.340 0.000 0.000 0.214 59 L C 0.725 177.329 176.870 -0.443 0.000 1.097 59 L CA 1.807 56.423 54.840 -0.374 0.000 0.764 59 L CB -0.266 41.525 42.059 -0.447 0.000 0.900 59 L HN 0.622 nan 8.230 nan 0.000 0.436 60 H N -1.755 117.255 119.070 -0.100 0.000 2.487 60 H HA 0.138 4.694 4.556 0.000 0.000 0.290 60 H C 1.475 176.743 175.328 -0.100 0.000 1.081 60 H CA 0.330 56.320 56.048 -0.096 0.000 1.116 60 H CB 0.350 30.070 29.762 -0.070 0.000 1.560 60 H HN 0.381 nan 8.280 nan 0.000 0.548 61 E N 1.628 121.798 120.200 -0.049 0.000 2.070 61 E HA -0.156 4.194 4.350 0.000 0.000 0.197 61 E C 1.851 178.419 176.600 -0.054 0.000 1.004 61 E CA 1.096 57.461 56.400 -0.059 0.000 0.805 61 E CB -0.249 29.390 29.700 -0.103 0.000 0.744 61 E HN 0.440 nan 8.360 nan 0.000 0.451 62 L N 0.223 121.401 121.223 -0.074 0.000 2.189 62 L HA -0.266 4.075 4.340 0.000 0.000 0.214 62 L C 2.601 179.435 176.870 -0.059 0.000 1.097 62 L CA 1.536 56.335 54.840 -0.068 0.000 0.764 62 L CB -0.648 41.365 42.059 -0.076 0.000 0.900 62 L HN 0.276 nan 8.230 nan 0.000 0.436 63 Q N 0.043 119.815 119.800 -0.045 0.000 2.124 63 Q HA -0.144 4.197 4.340 0.000 0.000 0.202 63 Q C 2.296 178.257 176.000 -0.065 0.000 0.977 63 Q CA 1.376 57.141 55.803 -0.063 0.000 0.850 63 Q CB -0.422 28.280 28.738 -0.061 0.000 0.901 63 Q HN 0.625 nan 8.270 nan 0.000 0.429 64 G N 0.309 109.081 108.800 -0.046 0.000 2.625 64 G HA2 -0.110 3.850 3.960 0.000 0.000 0.214 64 G HA3 -0.110 3.850 3.960 0.000 0.000 0.214 64 G C 1.142 176.017 174.900 -0.042 0.000 1.132 64 G CA 0.223 45.301 45.100 -0.037 0.000 0.782 64 G HN 0.197 nan 8.290 nan 0.000 0.538 65 L N 0.114 121.302 121.223 -0.059 0.000 2.585 65 L HA 0.205 4.545 4.340 0.000 0.000 0.226 65 L C 0.400 177.205 176.870 -0.110 0.000 1.113 65 L CA -0.428 54.373 54.840 -0.065 0.000 0.876 65 L CB 0.304 42.328 42.059 -0.057 0.000 1.072 65 L HN 0.059 nan 8.230 nan 0.000 0.468 66 c N 0.894 119.411 118.600 -0.139 0.000 2.349 66 c HA 0.108 4.678 4.570 0.000 0.000 0.348 66 c C 1.646 175.584 174.090 -0.252 0.000 1.223 66 c CA -0.727 55.469 56.329 -0.221 0.000 1.746 66 c CB -0.288 42.083 42.510 -0.233 0.000 2.360 66 c HN 0.434 nan 8.230 nan 0.000 0.533 67 N N 1.302 119.768 118.700 -0.390 0.000 2.142 67 N HA -0.025 4.715 4.740 0.000 0.000 0.186 67 N C 0.184 175.408 175.510 -0.476 0.000 1.023 67 N CA 1.010 53.787 53.050 -0.454 0.000 0.852 67 N CB 0.110 38.146 38.487 -0.751 0.000 0.998 67 N HN 0.536 nan 8.380 nan 0.000 0.424 68 V N 0.077 119.688 119.914 -0.505 0.000 2.680 68 V HA 0.413 4.533 4.120 0.000 0.000 0.309 68 V C -0.598 175.226 176.094 -0.450 0.000 1.052 68 V CA -0.885 61.222 62.300 -0.321 0.000 0.908 68 V CB 1.974 33.767 31.823 -0.050 0.000 1.001 68 V HN 0.010 nan 8.190 nan 0.000 0.431 69 K N 3.675 123.857 120.400 -0.364 0.000 2.463 69 K HA 0.490 4.810 4.320 0.000 0.000 0.255 69 K C -0.991 175.375 176.600 -0.390 0.000 0.942 69 K CA -0.338 55.690 56.287 -0.432 0.000 0.814 69 K CB 1.205 33.543 32.500 -0.269 0.000 1.122 69 K HN 0.633 nan 8.250 nan 0.000 0.425 70 N N 3.955 122.325 118.700 -0.550 0.000 2.448 70 N HA 0.307 5.047 4.740 0.000 0.000 0.279 70 N C -1.621 173.724 175.510 -0.275 0.000 1.025 70 N CA -0.426 52.435 53.050 -0.316 0.000 0.898 70 N CB 1.050 39.440 38.487 -0.161 0.000 1.303 70 N HN 0.796 nan 8.380 nan 0.000 0.495 71 K N 2.337 122.635 120.400 -0.170 0.000 2.350 71 K HA 0.764 5.084 4.320 0.000 0.000 0.241 71 K C -0.558 175.986 176.600 -0.093 0.000 0.994 71 K CA -0.803 55.400 56.287 -0.139 0.000 0.839 71 K CB 1.949 34.372 32.500 -0.129 0.000 1.244 71 K HN 0.477 nan 8.250 nan 0.000 0.443 72 M N -0.989 118.560 119.600 -0.085 0.000 2.578 72 M HA 0.541 5.021 4.480 0.000 0.000 0.276 72 M C -1.095 175.161 176.300 -0.073 0.000 1.245 72 M CA -0.911 54.348 55.300 -0.068 0.000 0.871 72 M CB 2.095 34.662 32.600 -0.056 0.000 1.722 72 M HN 0.681 nan 8.290 nan 0.000 0.473 73 G N 0.752 109.513 108.800 -0.066 0.000 2.356 73 G HA2 0.601 4.561 3.960 0.000 0.000 0.322 73 G HA3 0.601 4.561 3.960 0.000 0.000 0.322 73 G C -1.641 173.211 174.900 -0.080 0.000 1.125 73 G CA -0.767 44.285 45.100 -0.080 0.000 0.885 73 G HN 0.725 nan 8.290 nan 0.000 0.467 74 V N 4.268 124.113 119.914 -0.115 0.000 2.577 74 V HA 0.575 4.695 4.120 0.000 0.000 0.303 74 V C -2.395 173.622 176.094 -0.129 0.000 1.042 74 V CA -2.168 60.074 62.300 -0.096 0.000 0.872 74 V CB 2.664 34.438 31.823 -0.083 0.000 0.998 74 V HN 0.593 nan 8.190 nan 0.000 0.423 75 P HA -0.003 nan 4.420 nan 0.000 0.264 75 P C -0.807 176.516 177.300 0.038 0.000 1.179 75 P CA 0.449 63.548 63.100 -0.002 0.000 0.763 75 P CB 0.303 32.030 31.700 0.044 0.000 0.806 76 W N 2.017 123.329 121.300 0.020 0.000 2.150 76 W HA 0.332 4.992 4.660 0.000 0.000 0.341 76 W C -0.359 176.181 176.519 0.034 0.000 1.276 76 W CA -0.022 57.339 57.345 0.026 0.000 1.238 76 W CB 0.657 30.122 29.460 0.008 0.000 1.128 76 W HN 0.040 nan 8.180 nan 0.000 0.581 77 V N 3.139 123.290 119.914 0.395 0.000 2.612 77 V HA 0.252 4.372 4.120 0.000 0.000 0.301 77 V C -0.295 175.917 176.094 0.197 0.000 1.059 77 V CA -0.952 61.482 62.300 0.224 0.000 0.886 77 V CB 1.462 33.384 31.823 0.166 0.000 1.007 77 V HN 0.515 nan 8.190 nan 0.000 0.426 78 S N 2.868 118.637 115.700 0.115 0.000 2.687 78 S HA 0.790 5.260 4.470 0.000 0.000 0.283 78 S C -0.417 174.219 174.600 0.059 0.000 1.170 78 S CA -0.619 57.622 58.200 0.068 0.000 1.008 78 S CB 2.002 65.205 63.200 0.005 0.000 1.026 78 S HN 0.515 nan 8.310 nan 0.000 0.541 79 V N 2.807 122.750 119.914 0.048 0.000 2.595 79 V HA 0.205 4.325 4.120 0.000 0.000 0.269 79 V C 0.379 176.486 176.094 0.022 0.000 0.982 79 V CA -0.503 61.821 62.300 0.039 0.000 0.873 79 V CB 1.303 33.158 31.823 0.053 0.000 1.051 79 V HN 0.837 nan 8.190 nan 0.000 0.466 80 E N 1.618 121.821 120.200 0.006 0.000 2.150 80 E HA -0.140 4.210 4.350 0.000 0.000 0.193 80 E C 1.725 178.323 176.600 -0.005 0.000 0.985 80 E CA 0.791 57.186 56.400 -0.008 0.000 0.814 80 E CB 0.323 30.014 29.700 -0.016 0.000 0.752 80 E HN 0.716 nan 8.360 nan 0.000 0.466 81 E N 0.451 120.652 120.200 0.001 0.000 2.208 81 E HA -0.185 4.165 4.350 0.000 0.000 0.202 81 E C 1.835 178.435 176.600 -0.001 0.000 1.014 81 E CA 0.952 57.352 56.400 0.000 0.000 0.819 81 E CB -0.046 29.656 29.700 0.004 0.000 0.735 81 E HN 0.335 nan 8.360 nan 0.000 0.469 82 L N -1.322 119.904 121.223 0.005 0.000 2.966 82 L HA 0.259 4.599 4.340 0.000 0.000 0.262 82 L C 0.995 177.869 176.870 0.007 0.000 1.165 82 L CA 0.173 55.016 54.840 0.004 0.000 0.978 82 L CB 0.799 42.865 42.059 0.011 0.000 1.337 82 L HN 0.158 nan 8.230 nan 0.000 0.563 83 G N 1.045 109.848 108.800 0.005 0.000 2.198 83 G HA2 -0.266 3.694 3.960 0.000 0.000 0.257 83 G HA3 -0.266 3.694 3.960 0.000 0.000 0.257 83 G C 0.029 174.949 174.900 0.033 0.000 1.042 83 G CA -0.077 45.023 45.100 0.000 0.000 0.791 83 G HN 0.455 nan 8.290 nan 0.000 0.502 84 Q N 0.146 119.981 119.800 0.057 0.000 2.296 84 Q HA 0.440 4.780 4.340 0.000 0.000 0.257 84 Q C -0.546 175.529 176.000 0.125 0.000 0.942 84 Q CA -0.394 55.481 55.803 0.120 0.000 0.939 84 Q CB 1.247 30.062 28.738 0.129 0.000 1.198 84 Q HN 0.288 nan 8.270 nan 0.000 0.429 85 E N 3.634 123.946 120.200 0.186 0.000 2.073 85 E HA 0.364 4.714 4.350 0.000 0.000 0.269 85 E C -0.524 176.419 176.600 0.571 0.000 0.917 85 E CA -0.263 56.234 56.400 0.161 0.000 0.757 85 E CB 1.003 30.531 29.700 -0.286 0.000 1.111 85 E HN 0.506 nan 8.360 nan 0.000 0.410 86 I N 3.883 124.761 120.570 0.514 0.000 2.460 86 I HA 0.475 4.645 4.170 0.000 0.000 0.298 86 I C 0.428 176.796 176.117 0.418 0.000 0.989 86 I CA -1.111 60.475 61.300 0.478 0.000 1.173 86 I CB 1.272 39.438 38.000 0.275 0.000 1.338 86 I HN 0.342 nan 8.210 nan 0.000 0.456 87 I N 1.828 122.569 120.570 0.286 0.000 2.582 87 I HA 0.795 4.965 4.170 0.000 0.000 0.292 87 I C -0.655 175.505 176.117 0.072 0.000 1.066 87 I CA -0.356 60.990 61.300 0.077 0.000 1.053 87 I CB 2.311 40.224 38.000 -0.146 0.000 1.241 87 I HN 0.562 nan 8.210 nan 0.000 0.421 88 T N 2.679 117.252 114.554 0.032 0.000 2.889 88 T HA 0.854 5.204 4.350 0.000 0.000 0.315 88 T C -0.761 173.945 174.700 0.009 0.000 1.291 88 T CA -0.047 62.068 62.100 0.025 0.000 1.028 88 T CB 1.832 70.723 68.868 0.038 0.000 1.235 88 T HN 1.394 nan 8.240 nan 0.000 0.491 89 G N 1.960 110.765 108.800 0.009 0.000 2.523 89 G HA2 0.545 4.505 3.960 0.000 0.000 0.291 89 G HA3 0.545 4.505 3.960 0.000 0.000 0.291 89 G C -1.800 173.110 174.900 0.017 0.000 1.450 89 G CA -0.955 44.148 45.100 0.006 0.000 0.790 89 G HN 0.789 nan 8.290 nan 0.000 0.496 90 R N 0.864 121.375 120.500 0.020 0.000 2.280 90 R HA 0.343 4.683 4.340 0.000 0.000 0.326 90 R C 0.196 176.480 176.300 -0.026 0.000 1.080 90 R CA -0.519 55.606 56.100 0.041 0.000 1.002 90 R CB 0.944 31.285 30.300 0.067 0.000 1.136 90 R HN 0.361 nan 8.270 nan 0.000 0.509 91 L N 4.850 125.992 121.223 -0.134 0.000 2.514 91 L HA 0.062 4.402 4.340 0.000 0.000 0.280 91 L C -1.422 175.228 176.870 -0.366 0.000 1.223 91 L CA -1.205 53.459 54.840 -0.293 0.000 0.864 91 L CB 0.186 41.932 42.059 -0.522 0.000 1.118 91 L HN 0.303 nan 8.230 nan 0.000 0.494 92 P HA 0.087 nan 4.420 nan 0.000 0.231 92 P C -0.571 176.590 177.300 -0.230 0.000 1.811 92 P CA -0.404 62.651 63.100 -0.075 0.000 1.051 92 P CB -0.323 31.396 31.700 0.032 0.000 1.951 93 F N 4.303 124.141 119.950 -0.186 0.000 2.580 93 F HA -0.020 4.507 4.527 0.000 0.000 0.398 93 F C -0.261 175.227 175.800 -0.519 0.000 1.023 93 F CA -1.084 56.626 58.000 -0.482 0.000 1.188 93 F CB -0.429 38.454 39.000 -0.194 0.000 1.005 93 F HN 0.276 nan 8.300 nan 0.000 0.546 94 P HA -0.131 nan 4.420 nan 0.000 0.219 94 P C 0.084 177.203 177.300 -0.301 0.000 1.146 94 P CA 1.491 64.251 63.100 -0.567 0.000 0.808 94 P CB 0.294 31.450 31.700 -0.908 0.000 0.779 95 S N -2.885 112.679 115.700 -0.227 0.000 2.636 95 S HA 0.253 4.723 4.470 0.000 0.000 0.266 95 S C -0.854 173.814 174.600 0.112 0.000 1.147 95 S CA -0.910 57.278 58.200 -0.020 0.000 0.815 95 S CB 0.950 64.159 63.200 0.014 0.000 1.119 95 S HN -0.193 nan 8.310 nan 0.000 0.470 96 V N 2.787 122.808 119.914 0.177 0.000 2.539 96 V HA 0.203 4.324 4.120 0.000 0.000 0.300 96 V C 2.111 178.311 176.094 0.177 0.000 1.019 96 V CA 1.169 63.556 62.300 0.145 0.000 1.160 96 V CB -0.324 31.528 31.823 0.048 0.000 0.901 96 V HN 1.186 nan 8.190 nan 0.000 0.481 97 G N 3.685 112.522 108.800 0.061 0.000 2.545 97 G HA2 0.277 4.237 3.960 0.000 0.000 0.217 97 G HA3 0.277 4.237 3.960 0.000 0.000 0.217 97 G C 0.635 175.569 174.900 0.058 0.000 1.218 97 G CA 0.939 46.046 45.100 0.013 0.000 0.787 97 G HN 1.408 nan 8.290 nan 0.000 0.571 98 G N -3.016 105.773 108.800 -0.018 0.000 2.317 98 G HA2 0.437 4.397 3.960 0.000 0.000 0.293 98 G HA3 0.437 4.397 3.960 0.000 0.000 0.293 98 G C -1.274 173.573 174.900 -0.087 0.000 1.287 98 G CA 0.088 45.157 45.100 -0.052 0.000 0.850 98 G HN 0.321 nan 8.290 nan 0.000 0.515 99 T N 1.154 115.661 114.554 -0.078 0.000 2.945 99 T HA 0.568 4.918 4.350 0.000 0.000 0.286 99 T C -1.639 173.009 174.700 -0.088 0.000 1.025 99 T CA -1.052 61.019 62.100 -0.048 0.000 1.039 99 T CB 2.226 71.124 68.868 0.050 0.000 1.068 99 T HN 0.173 nan 8.240 nan 0.000 0.497 100 P HA -0.049 nan 4.420 nan 0.000 0.223 100 P C 1.198 178.444 177.300 -0.090 0.000 1.144 100 P CA 0.528 63.560 63.100 -0.114 0.000 0.783 100 P CB 0.080 31.721 31.700 -0.098 0.000 0.771 101 V N -1.658 118.212 119.914 -0.074 0.000 2.970 101 V HA -0.100 4.020 4.120 0.000 0.000 0.260 101 V C 1.051 177.092 176.094 -0.088 0.000 1.100 101 V CA 0.851 63.109 62.300 -0.070 0.000 1.122 101 V CB -1.346 30.441 31.823 -0.059 0.000 0.721 101 V HN 0.178 nan 8.190 nan 0.000 0.483 102 N N 0.254 118.890 118.700 -0.105 0.000 2.317 102 N HA 0.096 4.836 4.740 0.000 0.000 0.245 102 N C 0.299 175.749 175.510 -0.100 0.000 1.294 102 N CA -0.044 52.930 53.050 -0.126 0.000 0.924 102 N CB 0.347 38.753 38.487 -0.134 0.000 1.186 102 N HN 0.195 nan 8.380 nan 0.000 0.495 103 D N -0.417 119.926 120.400 -0.094 0.000 2.360 103 D HA 0.321 4.961 4.640 0.000 0.000 0.289 103 D C 0.013 176.274 176.300 -0.065 0.000 1.183 103 D CA 0.043 54.003 54.000 -0.066 0.000 1.082 103 D CB 0.162 40.929 40.800 -0.054 0.000 1.146 103 D HN 0.144 nan 8.370 nan 0.000 0.545 104 L N -0.302 120.891 121.223 -0.051 0.000 2.298 104 L HA 0.558 4.898 4.340 0.000 0.000 0.268 104 L C -0.254 176.573 176.870 -0.071 0.000 1.010 104 L CA -0.915 53.894 54.840 -0.052 0.000 0.812 104 L CB 1.484 43.531 42.059 -0.021 0.000 1.331 104 L HN -0.007 nan 8.230 nan 0.000 0.450 105 V N 0.951 120.811 119.914 -0.090 0.000 2.577 105 V HA 0.507 4.627 4.120 0.000 0.000 0.303 105 V C -0.688 175.354 176.094 -0.086 0.000 1.042 105 V CA -0.620 61.615 62.300 -0.110 0.000 0.872 105 V CB 1.687 33.402 31.823 -0.180 0.000 0.998 105 V HN 0.758 nan 8.190 nan 0.000 0.423 106 R N 5.775 126.239 120.500 -0.059 0.000 2.235 106 R HA 0.585 4.925 4.340 0.000 0.000 0.338 106 R C -0.570 175.710 176.300 -0.033 0.000 1.087 106 R CA -0.234 55.847 56.100 -0.031 0.000 0.948 106 R CB 0.894 31.190 30.300 -0.008 0.000 1.099 106 R HN 0.820 nan 8.270 nan 0.000 0.483 107 V N 2.683 122.576 119.914 -0.034 0.000 2.617 107 V HA 0.530 4.650 4.120 0.000 0.000 0.298 107 V C -0.660 175.449 176.094 0.024 0.000 1.048 107 V CA -1.079 61.211 62.300 -0.015 0.000 0.964 107 V CB 1.481 33.292 31.823 -0.020 0.000 1.004 107 V HN 0.549 nan 8.190 nan 0.000 0.466 108 L N 4.312 125.556 121.223 0.034 0.000 2.307 108 L HA 0.705 5.045 4.340 0.000 0.000 0.284 108 L C -0.248 176.676 176.870 0.090 0.000 1.023 108 L CA -0.023 54.855 54.840 0.064 0.000 0.810 108 L CB 1.787 43.867 42.059 0.034 0.000 1.231 108 L HN 0.701 nan 8.230 nan 0.000 0.423 109 V N 5.157 125.172 119.914 0.168 0.000 2.459 109 V HA 0.599 4.719 4.120 0.000 0.000 0.295 109 V C -0.620 175.656 176.094 0.303 0.000 1.029 109 V CA -0.718 61.717 62.300 0.226 0.000 0.874 109 V CB 1.946 33.927 31.823 0.262 0.000 0.985 109 V HN 0.445 nan 8.190 nan 0.000 0.438 110 V N 3.739 123.785 119.914 0.221 0.000 2.483 110 V HA 0.804 4.924 4.120 0.000 0.000 0.297 110 V C 0.144 176.384 176.094 0.243 0.000 1.027 110 V CA -0.570 61.835 62.300 0.176 0.000 0.855 110 V CB 1.657 33.526 31.823 0.077 0.000 0.995 110 V HN 0.977 nan 8.190 nan 0.000 0.424 111 A N 4.942 127.944 122.820 0.304 0.000 2.318 111 A HA 0.946 5.266 4.320 0.000 0.000 0.324 111 A C -0.232 177.596 177.584 0.406 0.000 1.170 111 A CA -0.404 51.876 52.037 0.405 0.000 0.810 111 A CB 1.016 20.316 19.000 0.499 0.000 1.198 111 A HN 1.005 nan 8.150 nan 0.000 0.484 112 E N 0.570 121.007 120.200 0.394 0.000 2.449 112 E HA 0.757 5.107 4.350 0.000 0.000 0.278 112 E C -0.936 175.680 176.600 0.028 0.000 1.059 112 E CA -0.422 56.043 56.400 0.109 0.000 0.854 112 E CB 1.437 31.160 29.700 0.039 0.000 1.465 112 E HN 1.131 nan 8.360 nan 0.000 0.462 113 S N -0.007 115.556 115.700 -0.227 0.000 2.615 113 S HA 0.411 4.881 4.470 0.000 0.000 0.268 113 S C -1.050 173.439 174.600 -0.185 0.000 1.146 113 S CA -1.122 56.995 58.200 -0.140 0.000 0.818 113 S CB 0.592 63.727 63.200 -0.108 0.000 1.111 113 S HN 0.513 nan 8.310 nan 0.000 0.465 114 N N 1.928 120.560 118.700 -0.112 0.000 2.415 114 N HA 0.276 5.016 4.740 0.000 0.000 0.248 114 N C -0.030 175.263 175.510 -0.361 0.000 1.271 114 N CA 0.359 53.320 53.050 -0.149 0.000 0.913 114 N CB 0.313 38.756 38.487 -0.073 0.000 1.129 114 N HN 0.876 nan 8.380 nan 0.000 0.444 115 T N -1.126 113.197 114.554 -0.384 0.000 2.729 115 T HA 0.337 4.687 4.350 0.000 0.000 0.296 115 T C -2.126 172.337 174.700 -0.395 0.000 0.928 115 T CA -1.449 60.241 62.100 -0.683 0.000 1.045 115 T CB 0.649 69.324 68.868 -0.322 0.000 0.902 115 T HN 0.298 nan 8.240 nan 0.000 0.500 116 P HA 0.151 nan 4.420 nan 0.000 0.272 116 P C 0.835 178.106 177.300 -0.048 0.000 1.223 116 P CA -0.451 62.589 63.100 -0.100 0.000 0.784 116 P CB 1.058 32.784 31.700 0.044 0.000 0.923 117 E N 0.575 120.768 120.200 -0.012 0.000 2.268 117 E HA -0.078 4.272 4.350 0.000 0.000 0.195 117 E C -0.088 176.529 176.600 0.029 0.000 0.995 117 E CA 0.742 57.145 56.400 0.004 0.000 0.836 117 E CB 0.073 29.775 29.700 0.003 0.000 0.763 117 E HN 0.413 nan 8.360 nan 0.000 0.491 118 E N 1.509 121.736 120.200 0.045 0.000 2.199 118 E HA 0.224 4.574 4.350 0.000 0.000 0.269 118 E C -0.953 175.713 176.600 0.110 0.000 0.899 118 E CA -0.650 55.788 56.400 0.063 0.000 0.772 118 E CB 1.950 31.678 29.700 0.047 0.000 1.155 118 E HN -0.091 nan 8.360 nan 0.000 0.408 119 T N 5.358 119.984 114.554 0.121 0.000 2.793 119 T HA 0.121 4.471 4.350 0.000 0.000 0.289 119 T C -1.612 173.192 174.700 0.175 0.000 0.956 119 T CA -0.737 61.466 62.100 0.171 0.000 1.177 119 T CB -0.091 68.856 68.868 0.132 0.000 0.897 119 T HN 0.258 nan 8.240 nan 0.000 0.533 120 P HA 0.169 nan 4.420 nan 0.000 0.272 120 P C 0.770 178.172 177.300 0.171 0.000 1.254 120 P CA -0.418 62.817 63.100 0.225 0.000 0.795 120 P CB 0.899 32.841 31.700 0.405 0.000 1.022 121 E N -0.329 119.936 120.200 0.109 0.000 2.472 121 E HA -0.078 4.272 4.350 0.000 0.000 0.200 121 E C 0.877 177.543 176.600 0.110 0.000 1.046 121 E CA 1.020 57.468 56.400 0.079 0.000 0.871 121 E CB 0.167 29.885 29.700 0.030 0.000 0.806 121 E HN 0.590 nan 8.360 nan 0.000 0.533 122 E N -0.208 120.106 120.200 0.190 0.000 2.439 122 E HA 0.245 4.595 4.350 0.000 0.000 0.279 122 E C -0.825 175.962 176.600 0.311 0.000 1.077 122 E CA -0.629 55.894 56.400 0.206 0.000 0.849 122 E CB 0.781 30.588 29.700 0.180 0.000 1.408 122 E HN -0.177 nan 8.360 nan 0.000 0.457 123 E N 0.289 120.625 120.200 0.226 0.000 2.349 123 E HA 0.265 4.615 4.350 0.000 0.000 0.262 123 E C -0.325 176.447 176.600 0.286 0.000 1.088 123 E CA -0.645 55.864 56.400 0.182 0.000 0.899 123 E CB 0.767 30.509 29.700 0.071 0.000 1.044 123 E HN 0.325 nan 8.360 nan 0.000 0.420 124 F N 2.715 122.608 119.950 -0.095 0.000 2.602 124 F HA 0.105 4.632 4.527 0.000 0.000 0.367 124 F C -0.661 175.204 175.800 0.109 0.000 1.126 124 F CA 0.203 58.090 58.000 -0.188 0.000 1.321 124 F CB 0.148 38.820 39.000 -0.547 0.000 1.094 124 F HN 0.352 nan 8.300 nan 0.000 0.594 125 Y N 3.730 123.611 120.300 -0.698 0.000 2.552 125 Y HA 0.650 5.200 4.550 0.000 0.000 0.337 125 Y C -1.885 173.645 175.900 -0.616 0.000 1.094 125 Y CA -0.857 56.943 58.100 -0.500 0.000 1.028 125 Y CB 1.402 39.805 38.460 -0.095 0.000 1.321 125 Y HN 0.921 nan 8.280 nan 0.000 0.456 126 A N 4.087 126.008 122.820 -1.498 0.000 2.547 126 A HA 0.514 4.834 4.320 0.000 0.000 0.298 126 A C -2.830 174.253 177.584 -0.834 0.000 1.062 126 A CA -0.490 50.837 52.037 -1.183 0.000 0.748 126 A CB 0.572 18.937 19.000 -1.058 0.000 1.288 126 A HN 0.838 nan 8.150 nan 0.000 0.396 127 Y N 2.600 122.431 120.300 -0.782 0.000 2.328 127 Y HA 0.637 5.187 4.550 0.000 0.000 0.337 127 Y C -0.932 174.659 175.900 -0.515 0.000 0.966 127 Y CA -0.847 56.934 58.100 -0.532 0.000 1.136 127 Y CB 1.629 39.944 38.460 -0.242 0.000 1.170 127 Y HN 0.597 nan 8.280 nan 0.000 0.470 128 V N 6.673 125.824 119.914 -1.272 0.000 2.581 128 V HA 0.503 4.623 4.120 0.000 0.000 0.303 128 V C -0.905 174.547 176.094 -1.070 0.000 1.041 128 V CA -0.842 60.859 62.300 -0.998 0.000 0.907 128 V CB 1.731 33.039 31.823 -0.859 0.000 0.994 128 V HN 0.772 nan 8.190 nan 0.000 0.442 129 E N 4.680 124.496 120.200 -0.639 0.000 2.331 129 E HA 0.605 4.955 4.350 0.000 0.000 0.275 129 E C -1.845 174.618 176.600 -0.228 0.000 0.895 129 E CA -0.933 55.192 56.400 -0.457 0.000 0.753 129 E CB 2.516 31.984 29.700 -0.387 0.000 1.216 129 E HN 0.500 nan 8.360 nan 0.000 0.434 130 L N 2.780 123.922 121.223 -0.134 0.000 2.301 130 L HA 0.316 4.656 4.340 0.000 0.000 0.278 130 L C -0.095 176.783 176.870 0.013 0.000 1.022 130 L CA -0.764 54.056 54.840 -0.033 0.000 0.854 130 L CB 1.046 43.094 42.059 -0.019 0.000 1.226 130 L HN 0.570 nan 8.230 nan 0.000 0.429 131 Q N 1.962 121.750 119.800 -0.020 0.000 2.256 131 Q HA 0.671 5.011 4.340 0.000 0.000 0.257 131 Q C -0.430 175.564 176.000 -0.008 0.000 0.936 131 Q CA -0.698 55.077 55.803 -0.047 0.000 0.903 131 Q CB 2.188 30.880 28.738 -0.077 0.000 1.263 131 Q HN 0.592 nan 8.270 nan 0.000 0.440 132 T N -1.269 113.265 114.554 -0.034 0.000 2.905 132 T HA 0.240 4.590 4.350 0.000 0.000 0.283 132 T C 0.815 175.505 174.700 -0.016 0.000 1.031 132 T CA -0.484 61.606 62.100 -0.016 0.000 1.002 132 T CB 1.377 70.197 68.868 -0.081 0.000 1.200 132 T HN 0.691 nan 8.240 nan 0.000 0.560 133 E N 0.114 120.332 120.200 0.030 0.000 2.065 133 E HA -0.128 4.222 4.350 0.000 0.000 0.201 133 E C 1.713 178.330 176.600 0.027 0.000 1.016 133 E CA 1.815 58.240 56.400 0.040 0.000 0.818 133 E CB -0.689 29.057 29.700 0.076 0.000 0.749 133 E HN 0.665 nan 8.360 nan 0.000 0.453 134 L N -1.889 119.356 121.223 0.037 0.000 2.168 134 L HA 0.102 4.442 4.340 0.000 0.000 0.203 134 L C 0.576 177.470 176.870 0.040 0.000 1.078 134 L CA 0.224 55.090 54.840 0.043 0.000 0.780 134 L CB 0.082 42.191 42.059 0.084 0.000 0.939 134 L HN 0.131 nan 8.230 nan 0.000 0.451 135 Y N -0.495 119.668 120.300 -0.228 0.000 2.536 135 Y HA 0.416 4.966 4.550 0.000 0.000 0.347 135 Y C -0.609 175.087 175.900 -0.340 0.000 1.000 135 Y CA -1.241 56.654 58.100 -0.340 0.000 1.051 135 Y CB 1.938 40.068 38.460 -0.550 0.000 1.259 135 Y HN -0.308 nan 8.280 nan 0.000 0.468 136 T N 5.818 119.666 114.554 -1.177 0.000 2.779 136 T HA 0.423 4.773 4.350 0.000 0.000 0.280 136 T C -1.290 172.676 174.700 -1.223 0.000 0.987 136 T CA -0.274 61.335 62.100 -0.817 0.000 0.966 136 T CB -0.102 68.475 68.868 -0.484 0.000 0.933 136 T HN 0.320 nan 8.240 nan 0.000 0.442 137 F N 2.387 122.010 119.950 -0.545 0.000 2.390 137 F HA 0.512 5.039 4.527 0.000 0.000 0.361 137 F C 1.166 176.800 175.800 -0.276 0.000 1.124 137 F CA -0.706 57.112 58.000 -0.304 0.000 1.149 137 F CB 0.821 39.758 39.000 -0.105 0.000 1.160 137 F HN 0.603 nan 8.300 nan 0.000 0.501 138 G N 4.133 112.873 108.800 -0.100 0.000 2.348 138 G HA2 0.481 4.441 3.960 0.000 0.000 0.312 138 G HA3 0.481 4.441 3.960 0.000 0.000 0.312 138 G C -0.630 174.185 174.900 -0.141 0.000 1.126 138 G CA -0.627 44.385 45.100 -0.147 0.000 0.865 138 G HN 0.400 nan 8.290 nan 0.000 0.474 139 L N 3.600 124.557 121.223 -0.444 0.000 2.389 139 L HA 0.185 4.525 4.340 0.000 0.000 0.265 139 L C 1.418 178.129 176.870 -0.266 0.000 1.167 139 L CA -0.257 54.283 54.840 -0.500 0.000 1.045 139 L CB -0.929 40.406 42.059 -1.207 0.000 1.351 139 L HN 0.675 nan 8.230 nan 0.000 0.419 140 S N 0.230 115.981 115.700 0.085 0.000 2.617 140 S HA 0.093 4.563 4.470 0.000 0.000 0.255 140 S C 0.896 175.671 174.600 0.291 0.000 1.318 140 S CA -0.437 57.894 58.200 0.218 0.000 0.978 140 S CB 1.050 64.347 63.200 0.161 0.000 0.961 140 S HN 0.476 nan 8.310 nan 0.000 0.582 141 D N 0.333 120.885 120.400 0.254 0.000 2.264 141 D HA 0.017 4.657 4.640 0.000 0.000 0.208 141 D C 0.938 177.352 176.300 0.190 0.000 0.966 141 D CA 1.079 55.225 54.000 0.243 0.000 0.864 141 D CB -0.386 40.509 40.800 0.158 0.000 0.933 141 D HN 0.621 nan 8.370 nan 0.000 0.499 142 D N -0.583 119.915 120.400 0.162 0.000 2.348 142 D HA -0.041 4.599 4.640 0.000 0.000 0.216 142 D C 1.012 177.404 176.300 0.154 0.000 0.970 142 D CA 0.601 54.678 54.000 0.128 0.000 0.889 142 D CB -0.070 40.792 40.800 0.104 0.000 0.912 142 D HN 0.159 nan 8.370 nan 0.000 0.524 143 N N -0.745 118.094 118.700 0.231 0.000 2.299 143 N HA 0.042 4.782 4.740 0.000 0.000 0.187 143 N C -0.413 175.272 175.510 0.291 0.000 1.099 143 N CA -0.001 53.208 53.050 0.265 0.000 0.867 143 N CB 0.689 39.349 38.487 0.288 0.000 0.974 143 N HN -0.068 nan 8.380 nan 0.000 0.477 144 V N 1.850 121.910 119.914 0.243 0.000 2.540 144 V HA -0.014 4.107 4.120 0.000 0.000 0.297 144 V C 1.357 177.453 176.094 0.003 0.000 1.024 144 V CA 0.195 62.504 62.300 0.014 0.000 1.105 144 V CB 0.869 32.656 31.823 -0.059 0.000 0.938 144 V HN 0.153 nan 8.190 nan 0.000 0.482 145 V N 1.978 121.882 119.914 -0.017 0.000 3.556 145 V HA 0.533 4.653 4.120 0.000 0.000 0.287 145 V C -0.068 176.091 176.094 0.107 0.000 1.422 145 V CA 0.017 62.342 62.300 0.042 0.000 1.038 145 V CB -0.137 31.725 31.823 0.065 0.000 0.850 145 V HN 0.590 nan 8.190 nan 0.000 0.437 146 F N 1.376 121.230 119.950 -0.159 0.000 2.652 146 F HA 0.619 5.146 4.527 0.000 0.000 0.320 146 F C -1.047 174.630 175.800 -0.204 0.000 1.115 146 F CA 0.179 58.088 58.000 -0.151 0.000 1.053 146 F CB 1.677 40.602 39.000 -0.126 0.000 1.297 146 F HN 0.063 nan 8.300 nan 0.000 0.471 147 T N 1.699 115.737 114.554 -0.860 0.000 2.928 147 T HA 0.729 5.079 4.350 0.000 0.000 0.296 147 T C -0.736 173.526 174.700 -0.729 0.000 1.000 147 T CA -0.449 61.305 62.100 -0.576 0.000 0.989 147 T CB 1.399 70.058 68.868 -0.349 0.000 1.005 147 T HN 0.785 nan 8.240 nan 0.000 0.442 148 S N 1.591 117.071 115.700 -0.366 0.000 2.715 148 S HA 0.543 5.013 4.470 0.000 0.000 0.307 148 S C 0.329 174.827 174.600 -0.170 0.000 1.119 148 S CA -0.757 57.316 58.200 -0.211 0.000 0.937 148 S CB 1.361 64.615 63.200 0.090 0.000 1.150 148 S HN 0.471 nan 8.310 nan 0.000 0.521 149 D N 0.057 120.348 120.400 -0.180 0.000 2.149 149 D HA -0.101 4.539 4.640 0.000 0.000 0.194 149 D C 0.108 175.974 176.300 -0.723 0.000 1.001 149 D CA 2.008 55.782 54.000 -0.376 0.000 0.849 149 D CB -0.255 40.386 40.800 -0.265 0.000 0.939 149 D HN 0.680 nan 8.370 nan 0.000 0.449 150 Y N -1.059 119.111 120.300 -0.218 0.000 2.698 150 Y HA 0.419 4.969 4.550 0.000 0.000 0.261 150 Y C 0.151 175.657 175.900 -0.657 0.000 1.104 150 Y CA -0.476 57.243 58.100 -0.634 0.000 1.145 150 Y CB 0.582 38.672 38.460 -0.616 0.000 1.191 150 Y HN -0.189 nan 8.280 nan 0.000 0.564 151 M N 0.337 119.870 119.600 -0.111 0.000 2.365 151 M HA 0.537 5.017 4.480 0.000 0.000 0.288 151 M C -1.881 174.471 176.300 0.087 0.000 1.152 151 M CA -0.004 55.327 55.300 0.052 0.000 0.948 151 M CB 1.838 34.469 32.600 0.052 0.000 1.729 151 M HN -0.022 nan 8.290 nan 0.000 0.487 152 T N 3.203 117.754 114.554 -0.005 0.000 2.893 152 T HA 0.716 5.066 4.350 0.000 0.000 0.293 152 T C -1.372 172.998 174.700 -0.550 0.000 1.027 152 T CA -0.526 61.349 62.100 -0.376 0.000 0.988 152 T CB 2.066 70.497 68.868 -0.727 0.000 1.043 152 T HN 0.474 nan 8.240 nan 0.000 0.461 153 V N 3.105 122.724 119.914 -0.493 0.000 2.487 153 V HA 0.554 4.674 4.120 0.000 0.000 0.298 153 V C -0.756 175.132 176.094 -0.343 0.000 1.028 153 V CA -0.989 61.136 62.300 -0.292 0.000 0.860 153 V CB 1.566 33.361 31.823 -0.046 0.000 0.991 153 V HN 0.770 nan 8.190 nan 0.000 0.427 154 W N 4.258 125.580 121.300 0.037 0.000 2.655 154 W HA 0.740 5.400 4.660 0.000 0.000 0.358 154 W C -0.183 176.350 176.519 0.024 0.000 1.100 154 W CA -0.838 56.523 57.345 0.026 0.000 1.195 154 W CB 2.114 31.573 29.460 -0.001 0.000 1.403 154 W HN 0.448 nan 8.180 nan 0.000 0.589 155 M N 3.054 122.819 119.600 0.274 0.000 2.457 155 M HA 0.700 5.180 4.480 0.000 0.000 0.300 155 M C -1.929 174.457 176.300 0.143 0.000 1.141 155 M CA -0.554 54.843 55.300 0.162 0.000 0.901 155 M CB 2.886 35.557 32.600 0.118 0.000 1.687 155 M HN 0.531 nan 8.290 nan 0.000 0.449 156 I N 2.519 123.146 120.570 0.095 0.000 2.828 156 I HA 0.343 4.513 4.170 0.000 0.000 0.295 156 I C -1.897 174.242 176.117 0.036 0.000 1.459 156 I CA -0.554 60.795 61.300 0.083 0.000 1.015 156 I CB 2.400 40.455 38.000 0.092 0.000 1.345 156 I HN 0.652 nan 8.210 nan 0.000 0.449 157 D N 7.612 128.042 120.400 0.051 0.000 2.233 157 D HA 0.604 5.244 4.640 0.000 0.000 0.240 157 D C -0.675 175.622 176.300 -0.005 0.000 1.074 157 D CA 0.233 54.244 54.000 0.017 0.000 0.838 157 D CB 1.920 42.744 40.800 0.041 0.000 1.124 157 D HN 0.320 nan 8.370 nan 0.000 0.475 158 I N 2.051 122.558 120.570 -0.104 0.000 2.608 158 I HA 0.278 4.448 4.170 0.000 0.000 0.295 158 I C -2.496 173.573 176.117 -0.081 0.000 1.049 158 I CA -2.515 58.654 61.300 -0.218 0.000 1.063 158 I CB 2.577 40.259 38.000 -0.530 0.000 1.248 158 I HN -0.089 nan 8.210 nan 0.000 0.424 159 P HA 0.115 nan 4.420 nan 0.000 0.267 159 P C 0.114 177.356 177.300 -0.097 0.000 1.205 159 P CA -0.103 62.988 63.100 -0.015 0.000 0.765 159 P CB 0.666 32.353 31.700 -0.022 0.000 0.828 160 K N 1.753 122.075 120.400 -0.129 0.000 2.044 160 K HA -0.188 4.132 4.320 0.000 0.000 0.210 160 K C 1.971 178.476 176.600 -0.158 0.000 1.049 160 K CA 2.321 58.520 56.287 -0.147 0.000 0.927 160 K CB -0.521 31.904 32.500 -0.125 0.000 0.713 160 K HN 0.548 nan 8.250 nan 0.000 0.443 161 S N 0.093 115.675 115.700 -0.198 0.000 2.440 161 S HA -0.196 4.274 4.470 0.000 0.000 0.240 161 S C 1.701 176.191 174.600 -0.183 0.000 1.014 161 S CA 1.120 59.193 58.200 -0.213 0.000 0.980 161 S CB -0.476 62.559 63.200 -0.275 0.000 0.775 161 S HN 0.241 nan 8.310 nan 0.000 0.499 162 Y N 1.720 121.955 120.300 -0.109 0.000 2.365 162 Y HA 0.270 4.820 4.550 0.000 0.000 0.293 162 Y C 1.261 177.007 175.900 -0.257 0.000 1.119 162 Y CA -0.801 57.228 58.100 -0.118 0.000 1.203 162 Y CB -0.498 37.922 38.460 -0.066 0.000 1.026 162 Y HN 0.088 nan 8.280 nan 0.000 0.549 163 V N 2.543 122.350 119.914 -0.179 0.000 2.324 163 V HA 0.132 4.252 4.120 0.000 0.000 0.244 163 V C -0.202 175.442 176.094 -0.750 0.000 1.144 163 V CA 0.280 62.311 62.300 -0.448 0.000 1.158 163 V CB -0.907 30.721 31.823 -0.324 0.000 1.254 163 V HN 0.192 nan 8.190 nan 0.000 0.492 164 D N 1.912 121.691 120.400 -1.035 0.000 2.792 164 D HA 0.212 4.852 4.640 0.000 0.000 0.335 164 D C -0.696 175.302 176.300 -0.503 0.000 1.353 164 D CA -0.500 53.006 54.000 -0.823 0.000 0.839 164 D CB 2.429 43.076 40.800 -0.256 0.000 1.396 164 D HN 0.042 nan 8.370 nan 0.000 0.479 165 V N 0.990 120.910 119.914 0.011 0.000 2.644 165 V HA 0.410 4.530 4.120 0.000 0.000 0.305 165 V C 1.646 177.798 176.094 0.097 0.000 1.053 165 V CA 2.027 64.447 62.300 0.199 0.000 1.186 165 V CB 0.418 32.340 31.823 0.166 0.000 0.895 165 V HN 0.925 nan 8.190 nan 0.000 0.490 166 G N 4.235 113.114 108.800 0.132 0.000 2.380 166 G HA2 -0.194 3.766 3.960 0.000 0.000 0.197 166 G HA3 -0.194 3.766 3.960 0.000 0.000 0.197 166 G C 0.187 175.144 174.900 0.095 0.000 1.001 166 G CA 0.083 45.238 45.100 0.092 0.000 0.668 166 G HN 0.659 nan 8.290 nan 0.000 0.483 167 M N 2.343 122.010 119.600 0.112 0.000 2.077 167 M HA 0.726 5.206 4.480 0.000 0.000 0.348 167 M C -0.292 176.131 176.300 0.206 0.000 1.252 167 M CA -0.718 54.655 55.300 0.122 0.000 1.096 167 M CB 0.719 33.348 32.600 0.048 0.000 1.568 167 M HN 0.198 nan 8.290 nan 0.000 0.456 168 L N 5.031 126.324 121.223 0.118 0.000 2.357 168 L HA 0.542 4.882 4.340 0.000 0.000 0.273 168 L C -0.504 176.405 176.870 0.066 0.000 1.080 168 L CA 0.455 55.350 54.840 0.092 0.000 0.803 168 L CB 1.924 44.015 42.059 0.052 0.000 1.174 168 L HN 0.674 nan 8.230 nan 0.000 0.443 169 T N 4.844 119.426 114.554 0.047 0.000 2.792 169 T HA 0.529 4.879 4.350 0.000 0.000 0.280 169 T C -0.641 174.051 174.700 -0.013 0.000 0.990 169 T CA -0.472 61.633 62.100 0.009 0.000 0.960 169 T CB 0.927 69.805 68.868 0.017 0.000 0.939 169 T HN 0.517 nan 8.240 nan 0.000 0.439 170 R N 1.801 122.268 120.500 -0.054 0.000 2.513 170 R HA 0.731 5.071 4.340 0.000 0.000 0.301 170 R C -1.565 174.681 176.300 -0.091 0.000 0.968 170 R CA -0.617 55.459 56.100 -0.040 0.000 0.872 170 R CB 1.270 31.555 30.300 -0.025 0.000 1.177 170 R HN 0.719 nan 8.270 nan 0.000 0.444 171 A N 2.800 125.615 122.820 -0.008 0.000 2.343 171 A HA 0.518 4.838 4.320 0.000 0.000 0.308 171 A C -0.943 176.690 177.584 0.081 0.000 1.092 171 A CA -0.551 51.450 52.037 -0.059 0.000 0.751 171 A CB 1.840 20.872 19.000 0.054 0.000 1.203 171 A HN 0.616 nan 8.150 nan 0.000 0.452 172 T N 2.946 117.467 114.554 -0.054 0.000 2.770 172 T HA 0.647 4.997 4.350 0.000 0.000 0.283 172 T C -0.837 173.895 174.700 0.053 0.000 0.988 172 T CA 0.198 62.392 62.100 0.155 0.000 0.957 172 T CB 0.018 69.002 68.868 0.194 0.000 0.930 172 T HN 0.370 nan 8.240 nan 0.000 0.443 173 F N 1.111 121.266 119.950 0.342 0.000 2.594 173 F HA 0.545 5.072 4.527 0.000 0.000 0.335 173 F C 0.945 176.949 175.800 0.340 0.000 1.058 173 F CA -1.403 56.840 58.000 0.404 0.000 0.981 173 F CB 1.129 40.499 39.000 0.615 0.000 1.289 173 F HN 0.315 nan 8.300 nan 0.000 0.490 174 L N 0.134 121.703 121.223 0.577 0.000 2.693 174 L HA 0.309 4.649 4.340 0.000 0.000 0.235 174 L C -0.358 176.560 176.870 0.080 0.000 1.127 174 L CA 0.428 55.443 54.840 0.292 0.000 0.914 174 L CB -0.002 42.216 42.059 0.265 0.000 1.193 174 L HN 0.485 nan 8.230 nan 0.000 0.502 175 E N -0.170 120.020 120.200 -0.018 0.000 2.390 175 E HA 0.228 4.578 4.350 0.000 0.000 0.277 175 E C -1.079 175.122 176.600 -0.664 0.000 0.939 175 E CA -0.422 55.659 56.400 -0.532 0.000 0.769 175 E CB 1.635 30.642 29.700 -1.155 0.000 1.251 175 E HN -0.034 nan 8.360 nan 0.000 0.450 176 Q N 1.291 120.624 119.800 -0.778 0.000 3.027 176 Q HA 0.116 4.456 4.340 0.000 0.000 0.260 176 Q C -0.757 175.062 176.000 -0.302 0.000 1.379 176 Q CA -0.239 54.972 55.803 -0.986 0.000 1.038 176 Q CB -0.113 27.955 28.738 -1.115 0.000 1.578 176 Q HN 0.218 nan 8.270 nan 0.000 0.571 177 W N 2.660 123.994 121.300 0.056 0.000 2.264 177 W HA 0.106 4.766 4.660 0.000 0.000 0.331 177 W C -1.951 174.664 176.519 0.161 0.000 1.364 177 W CA -1.620 55.811 57.345 0.144 0.000 1.253 177 W CB -0.156 29.450 29.460 0.243 0.000 1.215 177 W HN 0.332 nan 8.180 nan 0.000 0.561 178 P HA 0.159 nan 4.420 nan 0.000 0.276 178 P C 0.751 178.134 177.300 0.140 0.000 1.230 178 P CA 0.738 63.952 63.100 0.189 0.000 0.776 178 P CB 0.989 32.756 31.700 0.112 0.000 0.888 179 G N 1.910 110.762 108.800 0.087 0.000 2.168 179 G HA2 -0.223 3.737 3.960 0.000 0.000 0.263 179 G HA3 -0.223 3.737 3.960 0.000 0.000 0.263 179 G C 0.484 175.403 174.900 0.032 0.000 0.977 179 G CA 0.036 45.154 45.100 0.030 0.000 0.659 179 G HN 0.842 nan 8.290 nan 0.000 0.533 180 A N 0.092 122.955 122.820 0.072 0.000 2.498 180 A HA 0.615 4.935 4.320 0.000 0.000 0.239 180 A C 0.620 178.189 177.584 -0.025 0.000 1.068 180 A CA 1.339 53.403 52.037 0.045 0.000 0.766 180 A CB 0.249 19.212 19.000 -0.062 0.000 1.003 180 A HN 1.688 nan 8.150 nan 0.000 0.497 181 K N 0.166 120.629 120.400 0.105 0.000 2.639 181 K HA 0.603 4.923 4.320 0.000 0.000 0.279 181 K C -1.888 174.830 176.600 0.197 0.000 0.976 181 K CA -0.895 55.441 56.287 0.082 0.000 0.861 181 K CB 1.210 33.713 32.500 0.005 0.000 1.436 181 K HN 0.356 nan 8.250 nan 0.000 0.400 182 V N 0.993 120.995 119.914 0.147 0.000 2.769 182 V HA 0.617 4.737 4.120 0.000 0.000 0.312 182 V C -0.797 175.334 176.094 0.060 0.000 1.061 182 V CA -0.576 61.816 62.300 0.153 0.000 0.931 182 V CB 2.126 34.039 31.823 0.151 0.000 1.010 182 V HN 0.931 nan 8.190 nan 0.000 0.433 183 T N 2.563 117.153 114.554 0.059 0.000 2.886 183 T HA 0.563 4.913 4.350 0.000 0.000 0.292 183 T C -0.804 173.907 174.700 0.017 0.000 1.012 183 T CA -0.450 61.648 62.100 -0.003 0.000 0.982 183 T CB 1.882 70.729 68.868 -0.034 0.000 1.018 183 T HN 0.342 nan 8.240 nan 0.000 0.451 184 V N 4.449 124.361 119.914 -0.005 0.000 2.334 184 V HA 0.383 4.503 4.120 0.000 0.000 0.281 184 V C -0.067 176.045 176.094 0.030 0.000 1.016 184 V CA -0.637 61.688 62.300 0.042 0.000 0.832 184 V CB 0.958 32.839 31.823 0.096 0.000 0.999 184 V HN 0.862 nan 8.190 nan 0.000 0.439 185 M N 6.503 126.115 119.600 0.020 0.000 2.120 185 M HA 0.527 5.007 4.480 0.000 0.000 0.354 185 M C -0.714 175.609 176.300 0.038 0.000 1.287 185 M CA 0.160 55.459 55.300 -0.002 0.000 1.103 185 M CB 0.815 33.398 32.600 -0.028 0.000 1.623 185 M HN 0.430 nan 8.290 nan 0.000 0.471 186 I N 6.043 126.668 120.570 0.091 0.000 2.437 186 I HA 0.328 4.498 4.170 0.000 0.000 0.279 186 I C -2.211 173.871 176.117 -0.058 0.000 1.028 186 I CA -1.996 59.318 61.300 0.022 0.000 1.142 186 I CB 1.427 39.493 38.000 0.110 0.000 1.266 186 I HN 0.361 nan 8.210 nan 0.000 0.461 187 P HA 0.091 nan 4.420 nan 0.000 0.276 187 P C -0.464 176.757 177.300 -0.132 0.000 1.253 187 P CA 0.109 63.181 63.100 -0.048 0.000 0.766 187 P CB 0.754 32.435 31.700 -0.032 0.000 0.845 188 Y N 1.440 121.805 120.300 0.108 0.000 2.503 188 Y HA 0.035 4.585 4.550 0.000 0.000 0.278 188 Y C 1.736 177.697 175.900 0.101 0.000 1.111 188 Y CA 0.777 58.902 58.100 0.042 0.000 1.270 188 Y CB 0.624 39.134 38.460 0.083 0.000 1.063 188 Y HN 0.431 nan 8.280 nan 0.000 0.548 189 S N -2.126 113.752 115.700 0.297 0.000 2.705 189 S HA 0.225 4.695 4.470 0.000 0.000 0.280 189 S C 0.840 175.549 174.600 0.181 0.000 1.174 189 S CA -0.164 58.181 58.200 0.241 0.000 0.823 189 S CB 0.916 64.290 63.200 0.290 0.000 1.162 189 S HN 0.052 nan 8.310 nan 0.000 0.487 190 S N -0.195 115.595 115.700 0.149 0.000 2.481 190 S HA 0.004 4.474 4.470 0.000 0.000 0.231 190 S C 1.291 175.964 174.600 0.123 0.000 0.996 190 S CA 1.265 59.529 58.200 0.108 0.000 0.942 190 S CB -1.060 62.193 63.200 0.088 0.000 0.768 190 S HN 1.291 nan 8.310 nan 0.000 0.520 191 T N -2.786 111.876 114.554 0.180 0.000 3.043 191 T HA 0.416 4.766 4.350 0.000 0.000 0.272 191 T C -0.411 174.459 174.700 0.284 0.000 0.990 191 T CA -0.574 61.644 62.100 0.197 0.000 0.897 191 T CB -0.298 68.687 68.868 0.195 0.000 1.111 191 T HN 0.291 nan 8.240 nan 0.000 0.529 192 F N 2.315 122.342 119.950 0.128 0.000 2.539 192 F HA 0.628 5.155 4.527 0.000 0.000 0.328 192 F C -1.184 174.700 175.800 0.141 0.000 1.148 192 F CA -0.473 57.604 58.000 0.128 0.000 0.940 192 F CB 2.024 41.123 39.000 0.164 0.000 1.194 192 F HN -0.104 nan 8.300 nan 0.000 0.438 193 T N 5.377 119.594 114.554 -0.562 0.000 2.812 193 T HA 0.191 4.541 4.350 0.000 0.000 0.282 193 T C -1.751 172.609 174.700 -0.566 0.000 0.990 193 T CA -0.272 61.603 62.100 -0.374 0.000 0.960 193 T CB 0.778 69.531 68.868 -0.192 0.000 0.948 193 T HN 0.615 nan 8.240 nan 0.000 0.438 194 W N 4.192 125.257 121.300 -0.392 0.000 2.376 194 W HA 0.563 5.223 4.660 0.000 0.000 0.312 194 W C -0.987 175.476 176.519 -0.094 0.000 1.060 194 W CA -0.752 56.447 57.345 -0.243 0.000 1.221 194 W CB 0.646 30.156 29.460 0.083 0.000 1.281 194 W HN 0.570 nan 8.180 nan 0.000 0.456 195 c N 5.444 123.640 118.600 -0.673 0.000 2.273 195 c HA 0.735 5.305 4.570 0.000 0.000 0.328 195 c C 0.942 174.402 174.090 -1.049 0.000 1.275 195 c CA -0.548 55.428 56.329 -0.589 0.000 1.704 195 c CB 0.140 42.418 42.510 -0.385 0.000 2.326 195 c HN 0.830 nan 8.230 nan 0.000 0.517 196 G N 2.426 110.814 108.800 -0.687 0.000 2.322 196 G HA2 0.545 4.505 3.960 0.000 0.000 0.309 196 G HA3 0.545 4.505 3.960 0.000 0.000 0.309 196 G C -0.964 173.770 174.900 -0.277 0.000 1.121 196 G CA -0.031 44.725 45.100 -0.573 0.000 0.886 196 G HN 0.811 nan 8.290 nan 0.000 0.447 197 E N 2.289 122.338 120.200 -0.253 0.000 2.222 197 E HA 0.486 4.836 4.350 0.000 0.000 0.267 197 E C -0.987 175.549 176.600 -0.108 0.000 0.884 197 E CA -0.707 55.602 56.400 -0.152 0.000 0.764 197 E CB 1.624 31.228 29.700 -0.160 0.000 1.169 197 E HN 0.323 nan 8.360 nan 0.000 0.413 198 L N 3.668 124.848 121.223 -0.071 0.000 2.316 198 L HA 0.528 4.868 4.340 0.000 0.000 0.280 198 L C 0.233 177.054 176.870 -0.082 0.000 1.006 198 L CA -0.837 53.961 54.840 -0.070 0.000 0.836 198 L CB 1.705 43.735 42.059 -0.047 0.000 1.221 198 L HN 0.594 nan 8.230 nan 0.000 0.418 199 G N 2.039 110.774 108.800 -0.108 0.000 2.356 199 G HA2 0.630 4.590 3.960 0.000 0.000 0.322 199 G HA3 0.630 4.590 3.960 0.000 0.000 0.322 199 G C -0.273 174.495 174.900 -0.220 0.000 1.125 199 G CA -0.376 44.644 45.100 -0.133 0.000 0.885 199 G HN 0.674 nan 8.290 nan 0.000 0.467 200 A N 1.974 124.587 122.820 -0.346 0.000 2.401 200 A HA 0.687 5.007 4.320 0.000 0.000 0.259 200 A C 0.367 177.734 177.584 -0.361 0.000 1.103 200 A CA -0.387 51.284 52.037 -0.610 0.000 0.789 200 A CB 0.078 18.299 19.000 -1.298 0.000 1.035 200 A HN 1.147 nan 8.150 nan 0.000 0.491 201 I N -0.210 120.180 120.570 -0.301 0.000 3.002 201 I HA 0.672 4.842 4.170 0.000 0.000 0.310 201 I C 0.355 176.497 176.117 0.043 0.000 1.087 201 I CA -0.798 60.454 61.300 -0.080 0.000 1.017 201 I CB 2.002 39.972 38.000 -0.050 0.000 1.226 201 I HN 0.641 nan 8.210 nan 0.000 0.443 202 S N 1.564 117.346 115.700 0.137 0.000 2.558 202 S HA 0.019 4.489 4.470 0.000 0.000 0.287 202 S C 0.772 175.486 174.600 0.189 0.000 1.321 202 S CA 0.188 58.516 58.200 0.213 0.000 1.048 202 S CB 0.507 63.781 63.200 0.122 0.000 0.844 202 S HN 0.844 nan 8.310 nan 0.000 0.512 203 E N 2.279 122.617 120.200 0.229 0.000 2.055 203 E HA -0.325 4.025 4.350 0.000 0.000 0.209 203 E C 2.055 178.718 176.600 0.104 0.000 1.036 203 E CA 2.046 58.552 56.400 0.176 0.000 0.849 203 E CB -0.451 29.324 29.700 0.124 0.000 0.767 203 E HN 1.029 nan 8.360 nan 0.000 0.461 204 E N 1.391 121.636 120.200 0.076 0.000 2.267 204 E HA -0.088 4.262 4.350 0.000 0.000 0.197 204 E C 0.512 177.140 176.600 0.047 0.000 0.998 204 E CA 0.505 56.937 56.400 0.052 0.000 0.830 204 E CB -0.115 29.609 29.700 0.040 0.000 0.751 204 E HN -0.068 nan 8.360 nan 0.000 0.491 205 S N 0.837 116.569 115.700 0.053 0.000 2.566 205 S HA 0.299 4.769 4.470 0.000 0.000 0.280 205 S C 0.145 174.762 174.600 0.029 0.000 1.343 205 S CA -0.170 58.053 58.200 0.038 0.000 1.036 205 S CB 1.035 64.257 63.200 0.036 0.000 0.866 205 S HN 0.469 nan 8.310 nan 0.000 0.526 206 A N 3.197 126.029 122.820 0.020 0.000 2.293 206 A HA 0.649 4.969 4.320 0.000 0.000 0.302 206 A C -2.539 175.048 177.584 0.005 0.000 1.119 206 A CA -1.939 50.107 52.037 0.015 0.000 0.823 206 A CB -0.256 18.752 19.000 0.013 0.000 1.097 206 A HN 0.509 nan 8.150 nan 0.000 0.491 207 P HA 0.070 nan 4.420 nan 0.000 0.265 207 P C -0.878 176.414 177.300 -0.012 0.000 1.187 207 P CA 0.557 63.652 63.100 -0.008 0.000 0.766 207 P CB 0.250 31.947 31.700 -0.004 0.000 0.820 208 Q N 3.452 123.238 119.800 -0.023 0.000 2.798 208 Q HA 0.265 4.605 4.340 0.000 0.000 0.250 208 Q C -2.263 173.716 176.000 -0.036 0.000 1.006 208 Q CA -1.818 53.968 55.803 -0.028 0.000 0.759 208 Q CB 1.248 29.969 28.738 -0.028 0.000 1.201 208 Q HN 0.405 nan 8.270 nan 0.000 0.486 209 P HA 0.004 nan 4.420 nan 0.000 0.274 209 P C -0.076 177.200 177.300 -0.041 0.000 1.237 209 P CA -0.006 63.076 63.100 -0.031 0.000 0.793 209 P CB 1.317 33.007 31.700 -0.017 0.000 0.977 210 S N 1.722 117.397 115.700 -0.043 0.000 2.655 210 S HA 0.209 4.679 4.470 0.000 0.000 0.265 210 S C 0.390 174.961 174.600 -0.048 0.000 1.240 210 S CA -0.765 57.403 58.200 -0.054 0.000 0.986 210 S CB 0.101 63.269 63.200 -0.053 0.000 0.985 210 S HN 0.398 nan 8.310 nan 0.000 0.562 211 L N 2.456 123.641 121.223 -0.062 0.000 2.415 211 L HA 0.415 4.756 4.340 0.000 0.000 0.269 211 L C -0.708 176.088 176.870 -0.123 0.000 1.244 211 L CA 0.490 55.291 54.840 -0.065 0.000 1.113 211 L CB -1.081 40.942 42.059 -0.060 0.000 1.352 211 L HN 0.679 nan 8.230 nan 0.000 0.433 212 S N 3.378 119.031 115.700 -0.078 0.000 2.647 212 S HA 0.902 5.372 4.470 0.000 0.000 0.300 212 S C -0.270 174.314 174.600 -0.027 0.000 1.129 212 S CA -0.383 57.760 58.200 -0.094 0.000 1.029 212 S CB 1.623 64.806 63.200 -0.029 0.000 1.007 212 S HN 0.763 nan 8.310 nan 0.000 0.484 213 A N 2.753 125.572 122.820 -0.001 0.000 2.386 213 A HA 0.906 5.226 4.320 0.000 0.000 0.308 213 A C -0.538 177.099 177.584 0.087 0.000 1.128 213 A CA -0.891 51.204 52.037 0.097 0.000 0.789 213 A CB 1.400 20.531 19.000 0.219 0.000 1.325 213 A HN 0.725 nan 8.150 nan 0.000 0.437 214 R N 0.475 121.013 120.500 0.063 0.000 2.502 214 R HA 0.566 4.906 4.340 0.000 0.000 0.300 214 R C -1.399 174.900 176.300 -0.002 0.000 0.984 214 R CA -0.013 56.102 56.100 0.025 0.000 0.882 214 R CB 1.639 31.950 30.300 0.018 0.000 1.180 214 R HN 0.719 nan 8.270 nan 0.000 0.444 215 S N 5.014 120.688 115.700 -0.043 0.000 2.605 215 S HA 0.517 4.987 4.470 0.000 0.000 0.308 215 S C -2.572 171.921 174.600 -0.179 0.000 1.113 215 S CA -1.609 56.539 58.200 -0.086 0.000 1.049 215 S CB 1.642 64.798 63.200 -0.072 0.000 1.001 215 S HN 0.488 nan 8.310 nan 0.000 0.480 216 P HA 0.171 nan 4.420 nan 0.000 0.247 216 P C 1.112 178.287 177.300 -0.209 0.000 1.756 216 P CA -0.304 62.641 63.100 -0.258 0.000 1.117 216 P CB 0.517 32.077 31.700 -0.233 0.000 1.869 217 V N 1.596 121.349 119.914 -0.269 0.000 2.370 217 V HA -0.249 3.871 4.120 0.000 0.000 0.252 217 V C 1.494 177.529 176.094 -0.098 0.000 1.068 217 V CA 1.927 64.107 62.300 -0.199 0.000 1.061 217 V CB -1.066 30.566 31.823 -0.318 0.000 0.656 217 V HN 0.525 nan 8.190 nan 0.000 0.455 218 c N 1.038 119.591 118.600 -0.078 0.000 2.438 218 c HA 0.337 4.907 4.570 0.000 0.000 0.366 218 c C 0.768 174.889 174.090 0.051 0.000 1.390 218 c CA -1.437 54.902 56.329 0.016 0.000 1.725 218 c CB -1.920 40.632 42.510 0.071 0.000 2.664 218 c HN 0.402 nan 8.230 nan 0.000 0.578 219 K N 2.372 122.770 120.400 -0.004 0.000 2.491 219 K HA -0.018 4.302 4.320 0.000 0.000 0.279 219 K C 0.507 177.074 176.600 -0.056 0.000 1.026 219 K CA 0.639 56.884 56.287 -0.070 0.000 1.070 219 K CB 0.018 32.463 32.500 -0.093 0.000 0.887 219 K HN 0.521 nan 8.250 nan 0.000 0.481 220 N N 1.676 120.309 118.700 -0.111 0.000 2.643 220 N HA -0.177 4.563 4.740 0.000 0.000 0.267 220 N C 0.527 175.933 175.510 -0.172 0.000 1.158 220 N CA 0.808 53.769 53.050 -0.149 0.000 0.684 220 N CB -1.032 37.347 38.487 -0.178 0.000 0.879 220 N HN 0.648 nan 8.380 nan 0.000 0.553 221 S N 0.129 115.693 115.700 -0.227 0.000 2.440 221 S HA -0.137 4.333 4.470 0.000 0.000 0.238 221 S C 1.977 176.366 174.600 -0.352 0.000 1.010 221 S CA 1.062 58.977 58.200 -0.475 0.000 0.972 221 S CB -0.256 62.292 63.200 -1.087 0.000 0.774 221 S HN 0.745 nan 8.310 nan 0.000 0.501 222 A N 2.026 124.711 122.820 -0.226 0.000 2.066 222 A HA 0.072 4.392 4.320 0.000 0.000 0.218 222 A C 2.214 179.719 177.584 -0.132 0.000 1.157 222 A CA 1.035 52.995 52.037 -0.128 0.000 0.670 222 A CB -0.709 18.242 19.000 -0.082 0.000 0.804 222 A HN 0.586 nan 8.150 nan 0.000 0.453 223 R N -1.499 118.821 120.500 -0.300 0.000 2.241 223 R HA -0.138 4.202 4.340 0.000 0.000 0.224 223 R C 0.309 176.315 176.300 -0.490 0.000 1.101 223 R CA 1.337 57.176 56.100 -0.435 0.000 0.995 223 R CB -0.190 29.605 30.300 -0.842 0.000 0.870 223 R HN 0.615 nan 8.270 nan 0.000 0.463 224 Y N -0.656 119.585 120.300 -0.099 0.000 2.531 224 Y HA 0.150 4.700 4.550 0.000 0.000 0.249 224 Y C 2.043 177.977 175.900 0.056 0.000 1.168 224 Y CA 0.138 58.146 58.100 -0.154 0.000 1.226 224 Y CB 0.593 38.865 38.460 -0.313 0.000 1.177 224 Y HN 0.112 nan 8.280 nan 0.000 0.527 225 S N -0.895 114.899 115.700 0.158 0.000 2.399 225 S HA -0.092 4.378 4.470 0.000 0.000 0.231 225 S C 1.155 175.847 174.600 0.155 0.000 1.022 225 S CA 1.219 59.512 58.200 0.156 0.000 0.983 225 S CB -0.718 62.536 63.200 0.090 0.000 0.803 225 S HN 0.414 nan 8.310 nan 0.000 0.480 226 T N -1.318 113.333 114.554 0.161 0.000 2.742 226 T HA 0.599 4.949 4.350 0.000 0.000 0.282 226 T C 0.696 175.523 174.700 0.212 0.000 1.025 226 T CA -0.108 62.070 62.100 0.130 0.000 1.020 226 T CB 1.363 70.256 68.868 0.041 0.000 1.317 226 T HN 0.206 nan 8.240 nan 0.000 0.538 227 S N -1.085 114.668 115.700 0.088 0.000 2.575 227 S HA 0.125 4.595 4.470 0.000 0.000 0.215 227 S C 1.694 176.269 174.600 -0.041 0.000 0.966 227 S CA 0.055 58.266 58.200 0.017 0.000 0.911 227 S CB -0.490 62.664 63.200 -0.076 0.000 0.780 227 S HN 0.806 nan 8.310 nan 0.000 0.514 228 K N 0.972 121.313 120.400 -0.099 0.000 2.107 228 K HA -0.180 4.141 4.320 0.000 0.000 0.211 228 K C 0.452 176.838 176.600 -0.358 0.000 1.049 228 K CA 1.789 57.892 56.287 -0.307 0.000 0.927 228 K CB -0.323 31.852 32.500 -0.541 0.000 0.714 228 K HN 0.488 nan 8.250 nan 0.000 0.452 229 F N -0.100 119.895 119.950 0.075 0.000 2.693 229 F HA 0.114 4.641 4.527 0.000 0.000 0.303 229 F C 1.940 177.789 175.800 0.082 0.000 1.097 229 F CA -0.540 57.511 58.000 0.085 0.000 1.330 229 F CB -0.301 38.753 39.000 0.091 0.000 1.067 229 F HN 0.089 nan 8.300 nan 0.000 0.565 230 C N 0.222 119.550 119.300 0.047 0.000 2.393 230 C HA -0.248 4.212 4.460 0.000 0.000 0.276 230 C C 2.862 177.827 174.990 -0.042 0.000 1.215 230 C CA 1.477 60.376 59.018 -0.197 0.000 1.743 230 C CB -0.679 26.860 27.740 -0.334 0.000 2.044 230 C HN 0.426 nan 8.230 nan 0.000 0.464 231 E N 0.319 120.510 120.200 -0.015 0.000 2.058 231 E HA -0.160 4.190 4.350 0.000 0.000 0.194 231 E C 2.125 178.759 176.600 0.057 0.000 0.997 231 E CA 1.175 57.581 56.400 0.009 0.000 0.801 231 E CB -0.361 29.339 29.700 0.000 0.000 0.746 231 E HN 0.391 nan 8.360 nan 0.000 0.450 232 V N 1.297 121.277 119.914 0.110 0.000 2.407 232 V HA -0.227 3.893 4.120 0.000 0.000 0.248 232 V C 1.225 177.395 176.094 0.126 0.000 1.055 232 V CA 2.070 64.451 62.300 0.135 0.000 1.049 232 V CB -0.359 31.601 31.823 0.228 0.000 0.662 232 V HN 0.269 nan 8.190 nan 0.000 0.455 233 D N -0.356 120.146 120.400 0.169 0.000 2.347 233 D HA 0.131 4.771 4.640 0.000 0.000 0.213 233 D C 1.685 178.065 176.300 0.133 0.000 0.985 233 D CA 1.055 55.165 54.000 0.182 0.000 0.879 233 D CB 0.314 41.321 40.800 0.345 0.000 0.919 233 D HN 0.517 nan 8.370 nan 0.000 0.526 234 G N 0.670 109.522 108.800 0.088 0.000 2.182 234 G HA2 -0.282 3.678 3.960 0.000 0.000 0.248 234 G HA3 -0.282 3.678 3.960 0.000 0.000 0.248 234 G C 0.231 175.164 174.900 0.056 0.000 1.042 234 G CA 0.033 45.168 45.100 0.059 0.000 0.775 234 G HN 0.368 nan 8.290 nan 0.000 0.501 235 c N 2.019 120.639 118.600 0.033 0.000 2.288 235 c HA 0.783 5.353 4.570 0.000 0.000 0.328 235 c C 0.776 174.810 174.090 -0.093 0.000 1.071 235 c CA 0.022 56.348 56.329 -0.005 0.000 1.594 235 c CB -0.931 41.575 42.510 -0.006 0.000 1.700 235 c HN 0.908 nan 8.230 nan 0.000 0.436 236 T N -1.693 112.839 114.554 -0.036 0.000 2.812 236 T HA 0.659 5.009 4.350 0.000 0.000 0.294 236 T C 0.916 175.609 174.700 -0.011 0.000 1.159 236 T CA 0.086 62.159 62.100 -0.045 0.000 1.008 236 T CB 1.449 70.294 68.868 -0.039 0.000 1.289 236 T HN 0.292 nan 8.240 nan 0.000 0.514 237 A N 0.540 123.352 122.820 -0.013 0.000 1.940 237 A HA -0.074 4.247 4.320 0.000 0.000 0.219 237 A C 2.097 179.678 177.584 -0.004 0.000 1.176 237 A CA 1.636 53.671 52.037 -0.002 0.000 0.631 237 A CB -0.926 18.070 19.000 -0.007 0.000 0.814 237 A HN 0.860 nan 8.150 nan 0.000 0.446 238 E N 0.329 120.525 120.200 -0.006 0.000 2.038 238 E HA -0.178 4.172 4.350 0.000 0.000 0.195 238 E C 2.079 178.680 176.600 0.002 0.000 1.000 238 E CA 2.004 58.402 56.400 -0.003 0.000 0.803 238 E CB -1.562 28.136 29.700 -0.003 0.000 0.750 238 E HN 0.780 nan 8.360 nan 0.000 0.448 239 T N -2.557 112.001 114.554 0.006 0.000 3.113 239 T HA 0.284 4.634 4.350 0.000 0.000 0.256 239 T C 1.403 176.113 174.700 0.016 0.000 1.131 239 T CA 0.633 62.741 62.100 0.014 0.000 1.074 239 T CB -0.137 68.743 68.868 0.021 0.000 0.944 239 T HN 0.356 nan 8.240 nan 0.000 0.516 240 G N 2.384 111.191 108.800 0.012 0.000 2.198 240 G HA2 -0.248 3.712 3.960 0.000 0.000 0.257 240 G HA3 -0.248 3.712 3.960 0.000 0.000 0.257 240 G C 0.428 175.346 174.900 0.030 0.000 1.042 240 G CA -0.100 45.004 45.100 0.006 0.000 0.791 240 G HN 0.555 nan 8.290 nan 0.000 0.502 241 M N -1.528 118.107 119.600 0.059 0.000 2.298 241 M HA -0.151 4.329 4.480 0.000 0.000 0.196 241 M C 0.017 176.378 176.300 0.100 0.000 0.531 241 M CA 1.445 56.813 55.300 0.112 0.000 0.459 241 M CB -2.258 30.468 32.600 0.211 0.000 1.279 241 M HN 0.721 nan 8.290 nan 0.000 0.915 242 E N 0.557 120.803 120.200 0.075 0.000 2.460 242 E HA 0.348 4.698 4.350 0.000 0.000 0.249 242 E C -0.031 176.607 176.600 0.064 0.000 0.962 242 E CA -0.460 55.981 56.400 0.067 0.000 0.787 242 E CB 1.881 31.610 29.700 0.047 0.000 1.341 242 E HN 0.281 nan 8.360 nan 0.000 0.407 243 K N 5.353 125.800 120.400 0.078 0.000 2.484 243 K HA 0.272 4.592 4.320 0.000 0.000 0.226 243 K C -0.527 176.106 176.600 0.054 0.000 1.031 243 K CA -0.575 55.754 56.287 0.070 0.000 1.026 243 K CB 0.438 32.998 32.500 0.100 0.000 1.412 243 K HN 0.324 nan 8.250 nan 0.000 0.492 244 M N 2.231 121.852 119.600 0.035 0.000 2.235 244 M HA 0.198 4.678 4.480 0.000 0.000 0.351 244 M C 0.138 176.441 176.300 0.004 0.000 1.178 244 M CA -0.243 55.068 55.300 0.017 0.000 1.143 244 M CB 0.944 33.549 32.600 0.009 0.000 1.530 244 M HN 0.572 nan 8.290 nan 0.000 0.461 245 S N 1.930 117.622 115.700 -0.013 0.000 2.548 245 S HA 0.725 5.195 4.470 0.000 0.000 0.286 245 S C -0.861 173.704 174.600 -0.058 0.000 1.098 245 S CA -1.056 57.128 58.200 -0.027 0.000 0.930 245 S CB 2.043 65.227 63.200 -0.026 0.000 1.070 245 S HN 0.580 nan 8.310 nan 0.000 0.480 246 L N 2.235 123.423 121.223 -0.058 0.000 2.367 246 L HA 0.441 4.781 4.340 0.000 0.000 0.275 246 L C 0.341 177.122 176.870 -0.149 0.000 1.129 246 L CA -0.025 54.763 54.840 -0.085 0.000 0.839 246 L CB 0.232 42.265 42.059 -0.043 0.000 1.133 246 L HN 0.936 nan 8.230 nan 0.000 0.453 247 L N 1.893 122.955 121.223 -0.269 0.000 2.362 247 L HA 0.157 4.497 4.340 0.000 0.000 0.204 247 L C 0.622 177.228 176.870 -0.441 0.000 1.060 247 L CA 0.115 54.639 54.840 -0.527 0.000 0.827 247 L CB -0.005 41.433 42.059 -1.036 0.000 1.027 247 L HN 0.586 nan 8.230 nan 0.000 0.474 248 T N 3.738 118.141 114.554 -0.252 0.000 2.751 248 T HA 0.132 4.482 4.350 0.000 0.000 0.290 248 T C -2.119 172.604 174.700 0.038 0.000 0.919 248 T CA -0.872 61.229 62.100 0.002 0.000 1.136 248 T CB 0.300 69.183 68.868 0.026 0.000 0.875 248 T HN 0.065 nan 8.240 nan 0.000 0.532 249 P HA 0.031 nan 4.420 nan 0.000 0.271 249 P C 0.976 178.346 177.300 0.117 0.000 1.233 249 P CA -0.587 62.576 63.100 0.105 0.000 0.789 249 P CB 0.654 32.421 31.700 0.112 0.000 0.951 250 F N 2.363 122.320 119.950 0.012 0.000 2.045 250 F HA -0.192 4.335 4.527 0.000 0.000 0.297 250 F C 2.047 177.854 175.800 0.012 0.000 1.114 250 F CA 2.778 60.783 58.000 0.009 0.000 1.207 250 F CB -1.129 37.874 39.000 0.006 0.000 0.964 250 F HN 0.423 nan 8.300 nan 0.000 0.486 251 G N -0.329 108.364 108.800 -0.178 0.000 3.314 251 G HA2 0.335 4.295 3.960 0.000 0.000 0.238 251 G HA3 0.335 4.295 3.960 0.000 0.000 0.238 251 G C 0.774 175.585 174.900 -0.149 0.000 1.184 251 G CA 0.191 45.115 45.100 -0.292 0.000 0.806 251 G HN 0.724 nan 8.290 nan 0.000 0.536 252 G N 0.440 109.186 108.800 -0.090 0.000 2.651 252 G HA2 0.447 4.407 3.960 0.000 0.000 0.260 252 G HA3 0.447 4.407 3.960 0.000 0.000 0.260 252 G C -1.994 172.878 174.900 -0.047 0.000 1.216 252 G CA -0.841 44.238 45.100 -0.035 0.000 0.913 252 G HN 0.111 nan 8.290 nan 0.000 0.535 253 P HA 0.065 nan 4.420 nan 0.000 0.270 253 P C -1.702 175.587 177.300 -0.018 0.000 1.216 253 P CA -0.575 62.517 63.100 -0.013 0.000 0.788 253 P CB 0.302 32.006 31.700 0.007 0.000 0.883 254 P HA -0.010 nan 4.420 nan 0.000 0.258 254 P C -0.347 176.944 177.300 -0.014 0.000 1.319 254 P CA 0.721 63.809 63.100 -0.021 0.000 0.785 254 P CB 0.347 32.038 31.700 -0.015 0.000 1.252 255 Q N 0.313 120.111 119.800 -0.004 0.000 2.322 255 Q HA 0.350 4.690 4.340 0.000 0.000 0.265 255 Q C -0.430 175.573 176.000 0.004 0.000 0.985 255 Q CA -0.239 55.559 55.803 -0.008 0.000 0.849 255 Q CB 1.878 30.615 28.738 -0.002 0.000 1.274 255 Q HN 0.058 nan 8.270 nan 0.000 0.449 256 Q N 1.439 121.230 119.800 -0.015 0.000 2.340 256 Q HA 0.733 5.074 4.340 0.000 0.000 0.259 256 Q C -1.386 174.598 176.000 -0.027 0.000 0.964 256 Q CA -0.552 55.241 55.803 -0.017 0.000 0.900 256 Q CB 0.976 29.699 28.738 -0.025 0.000 1.228 256 Q HN 0.730 nan 8.270 nan 0.000 0.449 257 A N 4.574 127.372 122.820 -0.037 0.000 2.330 257 A HA 0.667 4.987 4.320 0.000 0.000 0.327 257 A C -1.084 176.412 177.584 -0.145 0.000 1.155 257 A CA -0.627 51.368 52.037 -0.070 0.000 0.803 257 A CB 1.081 20.069 19.000 -0.021 0.000 1.208 257 A HN 0.750 nan 8.150 nan 0.000 0.477 258 K N 1.365 121.703 120.400 -0.105 0.000 2.435 258 K HA 0.654 4.974 4.320 0.000 0.000 0.251 258 K C -0.760 175.795 176.600 -0.075 0.000 0.954 258 K CA -0.514 55.713 56.287 -0.101 0.000 0.820 258 K CB 2.428 34.893 32.500 -0.058 0.000 1.292 258 K HN 0.902 nan 8.250 nan 0.000 0.436 259 M N 0.076 119.633 119.600 -0.072 0.000 2.598 259 M HA 0.523 5.003 4.480 0.000 0.000 0.317 259 M C -0.827 175.475 176.300 0.003 0.000 1.179 259 M CA -0.697 54.585 55.300 -0.030 0.000 0.936 259 M CB 1.740 34.307 32.600 -0.056 0.000 1.713 259 M HN 0.283 nan 8.290 nan 0.000 0.460 260 N N 0.658 119.385 118.700 0.045 0.000 2.372 260 N HA 0.393 5.133 4.740 0.000 0.000 0.291 260 N C 0.101 175.667 175.510 0.093 0.000 1.024 260 N CA -0.309 52.781 53.050 0.067 0.000 0.873 260 N CB 1.816 40.350 38.487 0.078 0.000 1.206 260 N HN 0.857 nan 8.380 nan 0.000 0.486 261 T N -1.127 113.477 114.554 0.083 0.000 3.065 261 T HA 0.035 4.385 4.350 0.000 0.000 0.252 261 T C 1.748 176.499 174.700 0.085 0.000 1.099 261 T CA 0.187 62.330 62.100 0.072 0.000 1.063 261 T CB -0.614 68.294 68.868 0.066 0.000 0.948 261 T HN 0.497 nan 8.240 nan 0.000 0.506 262 c N 2.349 121.045 118.600 0.160 0.000 2.422 262 c HA 0.067 4.638 4.570 0.000 0.000 0.279 262 c C -0.171 174.078 174.090 0.266 0.000 1.305 262 c CA 0.280 56.766 56.329 0.263 0.000 1.757 262 c CB -1.403 41.256 42.510 0.248 0.000 1.962 262 c HN 0.458 nan 8.230 nan 0.000 0.499 263 P HA -0.056 nan 4.420 nan 0.000 0.223 263 P C 1.196 178.542 177.300 0.077 0.000 1.144 263 P CA 1.199 64.420 63.100 0.201 0.000 0.783 263 P CB -0.406 31.327 31.700 0.056 0.000 0.771 264 c N -2.896 115.647 118.600 -0.094 0.000 2.410 264 c HA -0.142 4.428 4.570 0.000 0.000 0.281 264 c C 2.272 176.179 174.090 -0.305 0.000 1.318 264 c CA 0.636 56.760 56.329 -0.341 0.000 1.776 264 c CB -2.030 39.797 42.510 -1.138 0.000 1.942 264 c HN 0.246 nan 8.230 nan 0.000 0.508 265 Y N -1.065 119.162 120.300 -0.121 0.000 2.263 265 Y HA -0.098 4.452 4.550 0.000 0.000 0.292 265 Y C 2.247 178.031 175.900 -0.193 0.000 1.130 265 Y CA 1.578 59.628 58.100 -0.084 0.000 1.179 265 Y CB -0.645 37.702 38.460 -0.188 0.000 0.998 265 Y HN 0.358 nan 8.280 nan 0.000 0.532 266 Y N -0.340 120.035 120.300 0.125 0.000 2.516 266 Y HA -0.080 4.470 4.550 0.000 0.000 0.291 266 Y C 2.300 178.168 175.900 -0.053 0.000 1.131 266 Y CA 0.968 59.089 58.100 0.035 0.000 1.281 266 Y CB -0.142 38.314 38.460 -0.007 0.000 1.013 266 Y HN 0.020 nan 8.280 nan 0.000 0.554 267 K N -1.095 119.284 120.400 -0.036 0.000 2.166 267 K HA -0.067 4.253 4.320 0.000 0.000 0.201 267 K C 0.657 177.022 176.600 -0.391 0.000 1.052 267 K CA 1.141 57.257 56.287 -0.285 0.000 0.969 267 K CB -0.013 32.180 32.500 -0.512 0.000 0.761 267 K HN 0.252 nan 8.250 nan 0.000 0.459 268 Y N -0.177 120.150 120.300 0.046 0.000 2.444 268 Y HA 0.273 4.823 4.550 0.000 0.000 0.252 268 Y C 0.754 176.707 175.900 0.088 0.000 1.091 268 Y CA -0.366 57.779 58.100 0.075 0.000 1.276 268 Y CB 0.696 39.217 38.460 0.102 0.000 1.170 268 Y HN -0.118 nan 8.280 nan 0.000 0.517 269 S N 0.880 116.707 115.700 0.212 0.000 2.549 269 S HA 0.233 4.703 4.470 0.000 0.000 0.279 269 S C 0.936 175.603 174.600 0.112 0.000 1.321 269 S CA -0.176 58.132 58.200 0.179 0.000 1.054 269 S CB 0.806 64.114 63.200 0.180 0.000 0.899 269 S HN 0.231 nan 8.310 nan 0.000 0.497 270 V N 2.068 122.042 119.914 0.100 0.000 3.319 270 V HA 0.458 4.578 4.120 0.000 0.000 0.317 270 V C 0.500 176.624 176.094 0.049 0.000 1.411 270 V CA -0.353 61.988 62.300 0.068 0.000 1.112 270 V CB -0.027 31.834 31.823 0.064 0.000 1.031 270 V HN 0.535 nan 8.190 nan 0.000 0.448 271 S N 1.541 117.271 115.700 0.049 0.000 2.608 271 S HA 0.681 5.151 4.470 0.000 0.000 0.291 271 S C -2.489 172.116 174.600 0.010 0.000 1.146 271 S CA -0.839 57.376 58.200 0.024 0.000 1.043 271 S CB 1.582 64.794 63.200 0.020 0.000 1.037 271 S HN 0.300 nan 8.310 nan 0.000 0.520 272 P HA 0.248 nan 4.420 nan 0.000 0.267 272 P C -1.185 176.099 177.300 -0.026 0.000 1.200 272 P CA 0.139 63.238 63.100 -0.002 0.000 0.772 272 P CB 0.372 32.070 31.700 -0.003 0.000 0.855 273 L N 3.872 125.088 121.223 -0.012 0.000 2.354 273 L HA 0.510 4.850 4.340 0.000 0.000 0.264 273 L C -2.144 174.761 176.870 0.057 0.000 1.008 273 L CA -2.347 52.467 54.840 -0.044 0.000 0.819 273 L CB 1.583 43.525 42.059 -0.195 0.000 1.339 273 L HN 0.227 nan 8.230 nan 0.000 0.420 274 P HA 0.101 nan 4.420 nan 0.000 0.264 274 P C -0.737 176.646 177.300 0.138 0.000 1.183 274 P CA -0.170 62.980 63.100 0.083 0.000 0.763 274 P CB 0.545 32.288 31.700 0.073 0.000 0.807 275 A N 4.217 127.075 122.820 0.063 0.000 2.440 275 A HA 0.523 4.843 4.320 0.000 0.000 0.251 275 A C -0.092 177.478 177.584 -0.023 0.000 1.089 275 A CA 0.106 52.162 52.037 0.031 0.000 0.779 275 A CB -0.173 18.830 19.000 0.005 0.000 1.022 275 A HN 0.426 nan 8.150 nan 0.000 0.492 276 M N 1.861 121.403 119.600 -0.096 0.000 2.386 276 M HA 0.176 4.657 4.480 0.000 0.000 0.293 276 M C 0.214 176.391 176.300 -0.205 0.000 1.120 276 M CA -0.559 54.627 55.300 -0.189 0.000 0.909 276 M CB 1.638 34.060 32.600 -0.297 0.000 1.661 276 M HN 0.939 nan 8.290 nan 0.000 0.452 277 D N 1.443 121.708 120.400 -0.225 0.000 2.117 277 D HA -0.063 4.577 4.640 0.000 0.000 0.198 277 D C 0.121 176.358 176.300 -0.106 0.000 0.982 277 D CA 1.771 55.689 54.000 -0.137 0.000 0.828 277 D CB 0.516 41.273 40.800 -0.071 0.000 0.967 277 D HN 0.682 nan 8.370 nan 0.000 0.464 278 H N -2.389 116.610 119.070 -0.119 0.000 3.037 278 H HA 0.429 4.985 4.556 0.000 0.000 0.355 278 H C -1.240 173.995 175.328 -0.154 0.000 1.263 278 H CA -1.082 54.885 56.048 -0.135 0.000 1.129 278 H CB 0.311 30.016 29.762 -0.095 0.000 1.861 278 H HN -0.054 nan 8.280 nan 0.000 0.546 279 L N 1.788 123.000 121.223 -0.019 0.000 2.333 279 L HA 0.493 4.833 4.340 0.000 0.000 0.269 279 L C -0.065 176.844 176.870 0.065 0.000 1.010 279 L CA -1.106 53.705 54.840 -0.047 0.000 0.818 279 L CB 2.228 44.197 42.059 -0.149 0.000 1.306 279 L HN 0.464 nan 8.230 nan 0.000 0.430 280 I N 2.770 123.382 120.570 0.071 0.000 2.312 280 I HA 0.155 4.325 4.170 0.000 0.000 0.290 280 I C 0.787 176.933 176.117 0.048 0.000 1.008 280 I CA -0.242 61.095 61.300 0.062 0.000 1.226 280 I CB 1.546 39.587 38.000 0.067 0.000 1.371 280 I HN 0.610 nan 8.210 nan 0.000 0.468 281 L N 6.048 127.295 121.223 0.040 0.000 2.249 281 L HA 0.344 4.684 4.340 0.000 0.000 0.207 281 L C 0.849 177.768 176.870 0.081 0.000 1.090 281 L CA 0.365 55.253 54.840 0.080 0.000 0.802 281 L CB -0.112 42.000 42.059 0.087 0.000 0.947 281 L HN 0.743 nan 8.230 nan 0.000 0.453 282 A N -0.170 122.676 122.820 0.044 0.000 2.567 282 A HA 0.540 4.860 4.320 0.000 0.000 0.291 282 A C -2.010 175.575 177.584 0.002 0.000 1.048 282 A CA -0.667 51.384 52.037 0.023 0.000 0.661 282 A CB 1.193 20.212 19.000 0.032 0.000 1.288 282 A HN 0.113 nan 8.150 nan 0.000 0.424 283 D N -0.650 119.741 120.400 -0.014 0.000 2.570 283 D HA 0.689 5.329 4.640 0.000 0.000 0.244 283 D C -1.378 174.898 176.300 -0.041 0.000 1.178 283 D CA -0.453 53.528 54.000 -0.031 0.000 0.881 283 D CB 1.546 42.327 40.800 -0.031 0.000 1.453 283 D HN 1.046 nan 8.370 nan 0.000 0.447 284 L N 0.229 121.414 121.223 -0.063 0.000 2.439 284 L HA 0.816 5.156 4.340 0.000 0.000 0.270 284 L C -1.550 175.255 176.870 -0.109 0.000 0.972 284 L CA -0.351 54.445 54.840 -0.073 0.000 0.836 284 L CB 1.558 43.572 42.059 -0.075 0.000 1.255 284 L HN 0.822 nan 8.230 nan 0.000 0.404 285 A N 2.927 125.694 122.820 -0.088 0.000 2.340 285 A HA 0.838 5.158 4.320 0.000 0.000 0.331 285 A C 0.719 178.248 177.584 -0.092 0.000 1.140 285 A CA 0.165 52.144 52.037 -0.095 0.000 0.801 285 A CB 1.352 20.314 19.000 -0.063 0.000 1.234 285 A HN 1.887 nan 8.150 nan 0.000 0.469 286 G N 0.082 108.820 108.800 -0.103 0.000 2.183 286 G HA2 -0.153 3.807 3.960 0.000 0.000 0.168 286 G HA3 -0.153 3.807 3.960 0.000 0.000 0.168 286 G C 0.662 175.503 174.900 -0.098 0.000 1.008 286 G CA 0.134 45.189 45.100 -0.075 0.000 0.677 286 G HN 0.734 nan 8.290 nan 0.000 0.498 287 L N 0.587 121.683 121.223 -0.211 0.000 2.349 287 L HA -0.029 4.311 4.340 0.000 0.000 0.220 287 L C 2.178 179.046 176.870 -0.004 0.000 1.130 287 L CA 1.404 56.034 54.840 -0.350 0.000 0.791 287 L CB -0.291 41.246 42.059 -0.871 0.000 0.918 287 L HN 0.092 nan 8.230 nan 0.000 0.444 288 D N -0.431 119.987 120.400 0.029 0.000 2.309 288 D HA -0.108 4.532 4.640 0.000 0.000 0.212 288 D C 1.949 178.325 176.300 0.128 0.000 0.968 288 D CA 1.494 55.564 54.000 0.118 0.000 0.882 288 D CB 0.105 40.942 40.800 0.062 0.000 0.918 288 D HN 0.431 nan 8.370 nan 0.000 0.503 289 S N -0.808 114.951 115.700 0.098 0.000 2.666 289 S HA 0.164 4.634 4.470 0.000 0.000 0.239 289 S C 0.372 175.040 174.600 0.114 0.000 1.031 289 S CA -0.614 57.640 58.200 0.089 0.000 1.015 289 S CB 0.404 63.633 63.200 0.048 0.000 0.981 289 S HN 0.000 nan 8.310 nan 0.000 0.547 290 L N 4.058 125.384 121.223 0.171 0.000 2.319 290 L HA 0.471 4.811 4.340 0.000 0.000 0.280 290 L C 0.752 177.795 176.870 0.287 0.000 1.099 290 L CA 0.723 55.687 54.840 0.206 0.000 0.828 290 L CB 0.984 43.149 42.059 0.177 0.000 1.150 290 L HN 0.355 nan 8.230 nan 0.000 0.442 291 T N -0.304 114.352 114.554 0.169 0.000 3.269 291 T HA 0.433 4.783 4.350 0.000 0.000 0.269 291 T C 0.043 174.786 174.700 0.070 0.000 0.993 291 T CA 0.136 62.294 62.100 0.097 0.000 0.909 291 T CB -0.506 68.390 68.868 0.048 0.000 1.115 291 T HN 0.654 nan 8.240 nan 0.000 0.543 292 S N 0.398 116.181 115.700 0.138 0.000 2.550 292 S HA 0.740 5.210 4.470 0.000 0.000 0.270 292 S C -3.324 171.394 174.600 0.195 0.000 1.145 292 S CA -1.437 56.830 58.200 0.112 0.000 0.852 292 S CB 1.898 65.162 63.200 0.107 0.000 1.119 292 S HN 0.099 nan 8.310 nan 0.000 0.465 293 P HA 0.328 nan 4.420 nan 0.000 0.271 293 P C -0.837 176.575 177.300 0.186 0.000 1.244 293 P CA -0.378 62.813 63.100 0.152 0.000 0.793 293 P CB 0.394 32.083 31.700 -0.018 0.000 0.984 294 V N 0.991 120.962 119.914 0.095 0.000 2.680 294 V HA 0.370 4.490 4.120 0.000 0.000 0.309 294 V C -0.591 175.479 176.094 -0.041 0.000 1.052 294 V CA -0.420 61.936 62.300 0.094 0.000 0.908 294 V CB 1.216 33.065 31.823 0.043 0.000 1.001 294 V HN 0.421 nan 8.190 nan 0.000 0.431 295 Y N 2.037 122.405 120.300 0.114 0.000 2.485 295 Y HA 0.751 5.301 4.550 0.000 0.000 0.345 295 Y C -0.206 175.698 175.900 0.006 0.000 0.998 295 Y CA -0.974 57.175 58.100 0.080 0.000 1.059 295 Y CB 2.402 40.970 38.460 0.180 0.000 1.234 295 Y HN 0.328 nan 8.280 nan 0.000 0.461 296 V N 4.512 124.480 119.914 0.090 0.000 2.488 296 V HA 0.339 4.459 4.120 0.000 0.000 0.293 296 V C -0.581 175.474 176.094 -0.065 0.000 1.027 296 V CA -0.801 61.510 62.300 0.018 0.000 0.862 296 V CB 1.504 33.338 31.823 0.019 0.000 1.008 296 V HN 0.830 nan 8.190 nan 0.000 0.428 297 M N 4.509 124.033 119.600 -0.126 0.000 2.300 297 M HA 0.856 5.336 4.480 0.000 0.000 0.348 297 M C -0.191 176.097 176.300 -0.020 0.000 1.151 297 M CA -0.157 55.044 55.300 -0.167 0.000 1.046 297 M CB 1.492 33.883 32.600 -0.349 0.000 1.647 297 M HN 0.738 nan 8.290 nan 0.000 0.451 298 A N 3.549 126.399 122.820 0.050 0.000 2.365 298 A HA 0.930 5.250 4.320 0.000 0.000 0.318 298 A C -1.306 176.353 177.584 0.126 0.000 1.091 298 A CA -0.716 51.386 52.037 0.108 0.000 0.763 298 A CB 1.374 20.433 19.000 0.099 0.000 1.248 298 A HN 0.974 nan 8.150 nan 0.000 0.442 299 A N 1.499 124.338 122.820 0.033 0.000 2.330 299 A HA 0.826 5.146 4.320 0.000 0.000 0.313 299 A C -0.909 176.600 177.584 -0.124 0.000 1.124 299 A CA -0.459 51.402 52.037 -0.293 0.000 0.774 299 A CB 0.380 19.148 19.000 -0.386 0.000 1.198 299 A HN 1.820 nan 8.150 nan 0.000 0.465 300 Y N -0.264 119.850 120.300 -0.309 0.000 2.609 300 Y HA 0.806 5.356 4.550 0.000 0.000 0.336 300 Y C -1.457 174.316 175.900 -0.212 0.000 1.129 300 Y CA -2.202 55.748 58.100 -0.250 0.000 1.040 300 Y CB 0.540 38.934 38.460 -0.110 0.000 1.310 300 Y HN 0.416 nan 8.280 nan 0.000 0.460 301 F N 1.158 121.167 119.950 0.098 0.000 2.378 301 F HA 0.345 4.872 4.527 0.000 0.000 0.325 301 F C 0.548 176.467 175.800 0.199 0.000 1.097 301 F CA -0.424 57.631 58.000 0.092 0.000 1.079 301 F CB 0.706 39.735 39.000 0.048 0.000 1.240 301 F HN 0.560 nan 8.300 nan 0.000 0.519 302 D N 0.203 120.851 120.400 0.414 0.000 2.389 302 D HA 0.045 4.686 4.640 0.000 0.000 0.247 302 D C 0.876 177.280 176.300 0.173 0.000 1.128 302 D CA 0.190 54.317 54.000 0.213 0.000 0.884 302 D CB 1.113 42.008 40.800 0.157 0.000 1.194 302 D HN 0.513 nan 8.370 nan 0.000 0.441 303 S N 0.972 116.742 115.700 0.116 0.000 2.603 303 S HA -0.050 4.420 4.470 0.000 0.000 0.229 303 S C 1.044 175.686 174.600 0.071 0.000 0.972 303 S CA -0.013 58.236 58.200 0.081 0.000 0.935 303 S CB -0.759 62.466 63.200 0.042 0.000 0.769 303 S HN 0.576 nan 8.310 nan 0.000 0.536 304 T N 0.137 114.735 114.554 0.073 0.000 2.802 304 T HA 0.174 4.525 4.350 0.000 0.000 0.305 304 T C -0.037 174.724 174.700 0.103 0.000 1.053 304 T CA -0.413 61.734 62.100 0.078 0.000 1.058 304 T CB 0.125 69.033 68.868 0.067 0.000 0.988 304 T HN 0.467 nan 8.240 nan 0.000 0.539 305 H N 0.974 120.052 119.070 0.014 0.000 2.652 305 H HA 0.367 4.923 4.556 0.000 0.000 0.349 305 H C 0.209 175.539 175.328 0.004 0.000 1.099 305 H CA -0.261 55.790 56.048 0.006 0.000 1.417 305 H CB 0.535 30.300 29.762 0.004 0.000 1.457 305 H HN 0.617 nan 8.280 nan 0.000 0.568 306 E N 2.426 122.245 120.200 -0.636 0.000 2.285 306 E HA 0.158 4.508 4.350 0.000 0.000 0.254 306 E C -0.338 175.855 176.600 -0.678 0.000 1.011 306 E CA -1.134 54.970 56.400 -0.493 0.000 0.873 306 E CB 0.931 30.479 29.700 -0.254 0.000 1.229 306 E HN 0.590 nan 8.360 nan 0.000 0.422 307 N N 1.254 119.765 118.700 -0.315 0.000 2.419 307 N HA 0.198 4.938 4.740 0.000 0.000 0.277 307 N C -2.150 173.281 175.510 -0.132 0.000 1.006 307 N CA -1.968 50.967 53.050 -0.192 0.000 0.923 307 N CB 1.457 39.880 38.487 -0.107 0.000 1.140 307 N HN -0.053 nan 8.380 nan 0.000 0.488 308 P HA -0.062 nan 4.420 nan 0.000 0.222 308 P C 1.125 178.401 177.300 -0.039 0.000 1.147 308 P CA 0.638 63.712 63.100 -0.043 0.000 0.790 308 P CB 0.507 32.206 31.700 -0.001 0.000 0.780 309 V N -1.026 118.866 119.914 -0.037 0.000 3.041 309 V HA -0.020 4.100 4.120 0.000 0.000 0.260 309 V C 1.358 177.429 176.094 -0.039 0.000 1.105 309 V CA 0.919 63.201 62.300 -0.030 0.000 1.125 309 V CB -0.779 31.031 31.823 -0.022 0.000 0.730 309 V HN 0.088 nan 8.190 nan 0.000 0.479 310 R N 0.680 121.148 120.500 -0.054 0.000 3.033 310 R HA 0.248 4.588 4.340 0.000 0.000 0.236 310 R C -3.086 173.167 176.300 -0.080 0.000 1.774 310 R CA -1.208 54.856 56.100 -0.059 0.000 1.401 310 R CB 1.348 31.619 30.300 -0.048 0.000 1.539 310 R HN 0.165 nan 8.270 nan 0.000 0.618 311 P HA -0.003 nan 4.420 nan 0.000 0.269 311 P C -0.496 176.732 177.300 -0.120 0.000 1.263 311 P CA 0.242 63.270 63.100 -0.120 0.000 0.813 311 P CB 1.252 32.874 31.700 -0.130 0.000 0.868 312 S N 2.987 118.625 115.700 -0.104 0.000 2.686 312 S HA 0.112 4.582 4.470 0.000 0.000 0.324 312 S C 0.613 175.157 174.600 -0.093 0.000 1.172 312 S CA -0.471 57.682 58.200 -0.079 0.000 1.127 312 S CB -0.907 62.265 63.200 -0.046 0.000 1.338 312 S HN 0.384 nan 8.310 nan 0.000 0.547 313 S N 4.575 120.199 115.700 -0.127 0.000 3.965 313 S HA 0.269 4.739 4.470 0.000 0.000 0.195 313 S C -0.119 174.512 174.600 0.053 0.000 1.449 313 S CA -0.757 57.335 58.200 -0.180 0.000 0.965 313 S CB -0.127 62.888 63.200 -0.309 0.000 1.459 313 S HN 0.720 nan 8.310 nan 0.000 0.476 314 K N 2.285 122.728 120.400 0.072 0.000 2.248 314 K HA 0.343 4.663 4.320 0.000 0.000 0.281 314 K C -0.622 175.938 176.600 -0.066 0.000 1.054 314 K CA -0.877 55.378 56.287 -0.054 0.000 0.903 314 K CB 0.555 32.917 32.500 -0.230 0.000 1.077 314 K HN 0.478 nan 8.250 nan 0.000 0.474 315 L N 5.628 126.743 121.223 -0.179 0.000 2.305 315 L HA 0.295 4.636 4.340 0.000 0.000 0.281 315 L C -1.472 175.083 176.870 -0.525 0.000 1.085 315 L CA 0.113 54.716 54.840 -0.396 0.000 0.813 315 L CB 0.241 42.047 42.059 -0.421 0.000 1.157 315 L HN 0.538 nan 8.230 nan 0.000 0.436 316 Y N 3.142 123.095 120.300 -0.579 0.000 2.528 316 Y HA 0.572 5.122 4.550 0.000 0.000 0.335 316 Y C -0.453 175.032 175.900 -0.692 0.000 1.093 316 Y CA -0.494 57.280 58.100 -0.543 0.000 1.134 316 Y CB 1.502 39.559 38.460 -0.672 0.000 1.253 316 Y HN 0.576 nan 8.280 nan 0.000 0.478 317 H N -0.040 119.015 119.070 -0.026 0.000 2.667 317 H HA 0.643 5.199 4.556 0.000 0.000 0.353 317 H C -1.272 174.159 175.328 0.171 0.000 1.072 317 H CA -0.919 55.170 56.048 0.069 0.000 1.214 317 H CB 1.295 31.142 29.762 0.142 0.000 1.600 317 H HN 0.827 nan 8.280 nan 0.000 0.527 318 c N 1.835 120.620 118.600 0.308 0.000 2.609 318 c HA 0.971 5.541 4.570 0.000 0.000 0.313 318 c C -0.310 173.830 174.090 0.084 0.000 1.175 318 c CA -0.873 55.590 56.329 0.224 0.000 1.434 318 c CB 0.341 42.997 42.510 0.244 0.000 2.005 318 c HN 0.949 nan 8.230 nan 0.000 0.471 319 A N 3.767 126.597 122.820 0.017 0.000 2.355 319 A HA 0.867 5.187 4.320 0.000 0.000 0.317 319 A C -0.762 176.831 177.584 0.015 0.000 1.094 319 A CA -0.588 51.376 52.037 -0.121 0.000 0.764 319 A CB 0.767 19.438 19.000 -0.549 0.000 1.230 319 A HN 1.002 nan 8.150 nan 0.000 0.448 320 L N 0.793 122.020 121.223 0.007 0.000 2.331 320 L HA 0.686 5.026 4.340 0.000 0.000 0.268 320 L C 0.132 176.994 176.870 -0.013 0.000 1.015 320 L CA -0.661 54.189 54.840 0.018 0.000 0.807 320 L CB 1.698 43.754 42.059 -0.006 0.000 1.293 320 L HN 0.845 nan 8.230 nan 0.000 0.451 321 Q N 1.672 121.426 119.800 -0.077 0.000 2.271 321 Q HA 0.436 4.776 4.340 0.000 0.000 0.268 321 Q C -1.691 174.235 176.000 -0.125 0.000 1.021 321 Q CA -0.703 54.940 55.803 -0.265 0.000 0.802 321 Q CB 2.535 31.030 28.738 -0.406 0.000 1.282 321 Q HN 0.562 nan 8.270 nan 0.000 0.431 322 M N 2.529 122.080 119.600 -0.082 0.000 2.180 322 M HA 0.498 4.978 4.480 0.000 0.000 0.350 322 M C -1.307 175.098 176.300 0.176 0.000 1.125 322 M CA 0.339 55.700 55.300 0.102 0.000 1.031 322 M CB 1.913 34.598 32.600 0.142 0.000 1.623 322 M HN 0.610 nan 8.290 nan 0.000 0.451 323 T N 1.710 116.316 114.554 0.087 0.000 2.901 323 T HA 0.505 4.855 4.350 0.000 0.000 0.293 323 T C -1.224 173.036 174.700 -0.733 0.000 1.084 323 T CA -0.841 61.096 62.100 -0.272 0.000 1.008 323 T CB 1.762 70.404 68.868 -0.375 0.000 1.170 323 T HN 0.542 nan 8.240 nan 0.000 0.509 324 S N 1.481 116.433 115.700 -1.246 0.000 2.448 324 S HA 0.338 4.808 4.470 0.000 0.000 0.320 324 S C -1.021 173.057 174.600 -0.870 0.000 1.071 324 S CA -0.686 56.681 58.200 -1.388 0.000 1.113 324 S CB -0.153 62.038 63.200 -1.682 0.000 0.972 324 S HN 0.626 nan 8.310 nan 0.000 0.465 325 H N 4.038 122.889 119.070 -0.365 0.000 2.673 325 H HA 0.255 4.811 4.556 0.000 0.000 0.293 325 H C -0.326 174.900 175.328 -0.170 0.000 1.065 325 H CA -0.181 55.742 56.048 -0.210 0.000 1.236 325 H CB 0.666 30.346 29.762 -0.138 0.000 1.389 325 H HN 0.755 nan 8.280 nan 0.000 0.481 326 D N 2.983 123.346 120.400 -0.063 0.000 2.772 326 D HA -0.172 4.468 4.640 0.000 0.000 0.233 326 D C 1.351 177.607 176.300 -0.073 0.000 1.143 326 D CA 1.388 55.356 54.000 -0.053 0.000 0.700 326 D CB -1.204 39.587 40.800 -0.016 0.000 1.076 326 D HN 1.097 nan 8.370 nan 0.000 0.430 327 G N -2.195 106.517 108.800 -0.147 0.000 2.225 327 G HA2 -0.326 3.634 3.960 0.000 0.000 0.254 327 G HA3 -0.326 3.634 3.960 0.000 0.000 0.254 327 G C 0.370 175.208 174.900 -0.103 0.000 0.988 327 G CA 0.284 45.314 45.100 -0.117 0.000 0.625 327 G HN 0.648 nan 8.290 nan 0.000 0.527 328 V N 0.220 120.066 119.914 -0.114 0.000 2.394 328 V HA 0.633 4.753 4.120 0.000 0.000 0.282 328 V C -0.002 176.037 176.094 -0.092 0.000 1.031 328 V CA -0.757 61.532 62.300 -0.018 0.000 0.881 328 V CB 1.026 32.866 31.823 0.029 0.000 0.982 328 V HN 0.269 nan 8.190 nan 0.000 0.451 329 W N 3.405 124.703 121.300 -0.003 0.000 2.335 329 W HA 0.613 5.273 4.660 0.000 0.000 0.307 329 W C 0.605 177.126 176.519 0.004 0.000 1.117 329 W CA -0.246 57.087 57.345 -0.021 0.000 1.228 329 W CB 1.562 31.002 29.460 -0.034 0.000 1.240 329 W HN 0.699 nan 8.180 nan 0.000 0.468 330 T N -0.399 114.284 114.554 0.214 0.000 2.906 330 T HA 0.710 5.060 4.350 0.000 0.000 0.295 330 T C -0.629 174.150 174.700 0.133 0.000 1.075 330 T CA -0.953 61.241 62.100 0.158 0.000 1.005 330 T CB 1.913 70.863 68.868 0.137 0.000 1.136 330 T HN 0.210 nan 8.240 nan 0.000 0.498 331 S N 0.591 116.341 115.700 0.083 0.000 2.621 331 S HA 0.724 5.194 4.470 0.000 0.000 0.302 331 S C 0.237 174.860 174.600 0.038 0.000 1.093 331 S CA -0.529 57.701 58.200 0.051 0.000 1.017 331 S CB 0.967 64.182 63.200 0.025 0.000 1.077 331 S HN 1.145 nan 8.310 nan 0.000 0.517 332 T N 1.113 115.683 114.554 0.027 0.000 2.849 332 T HA 0.660 5.010 4.350 0.000 0.000 0.284 332 T C 0.081 174.791 174.700 0.017 0.000 1.004 332 T CA -0.603 61.515 62.100 0.030 0.000 1.021 332 T CB 0.880 69.773 68.868 0.041 0.000 1.013 332 T HN 0.814 nan 8.240 nan 0.000 0.527 333 S N -0.388 115.322 115.700 0.016 0.000 2.632 333 S HA 0.766 5.236 4.470 0.000 0.000 0.289 333 S C -0.800 173.804 174.600 0.007 0.000 1.115 333 S CA -0.952 57.249 58.200 0.003 0.000 0.889 333 S CB 1.881 65.078 63.200 -0.005 0.000 1.116 333 S HN 1.009 nan 8.310 nan 0.000 0.486 334 S N -0.313 115.383 115.700 -0.007 0.000 2.649 334 S HA 0.313 4.783 4.470 0.000 0.000 0.274 334 S C 0.190 174.774 174.600 -0.027 0.000 1.176 334 S CA -0.598 57.600 58.200 -0.003 0.000 0.988 334 S CB 1.302 64.510 63.200 0.013 0.000 1.071 334 S HN 0.772 nan 8.310 nan 0.000 0.478 335 E N 2.097 122.284 120.200 -0.022 0.000 2.209 335 E HA -0.156 4.194 4.350 0.000 0.000 0.196 335 E C 1.403 177.971 176.600 -0.054 0.000 0.993 335 E CA 1.051 57.430 56.400 -0.035 0.000 0.819 335 E CB 0.141 29.828 29.700 -0.022 0.000 0.745 335 E HN 0.556 nan 8.360 nan 0.000 0.477 336 Q N -0.259 119.513 119.800 -0.046 0.000 2.204 336 Q HA -0.002 4.338 4.340 0.000 0.000 0.198 336 Q C 0.990 176.896 176.000 -0.157 0.000 0.946 336 Q CA 0.205 55.969 55.803 -0.065 0.000 0.859 336 Q CB -0.311 28.422 28.738 -0.009 0.000 0.946 336 Q HN 0.210 nan 8.270 nan 0.000 0.474 337 c N 4.551 123.069 118.600 -0.136 0.000 2.638 337 c HA 0.043 4.613 4.570 0.000 0.000 0.410 337 c C -0.619 173.270 174.090 -0.336 0.000 1.404 337 c CA -1.211 54.970 56.329 -0.247 0.000 1.651 337 c CB 0.231 42.685 42.510 -0.094 0.000 2.495 337 c HN 0.328 nan 8.230 nan 0.000 0.606 338 P HA -0.037 nan 4.420 nan 0.000 0.223 338 P C 0.336 177.493 177.300 -0.238 0.000 1.151 338 P CA 1.120 63.985 63.100 -0.392 0.000 0.787 338 P CB -0.130 31.269 31.700 -0.502 0.000 0.788 339 I N -1.481 118.968 120.570 -0.201 0.000 2.664 339 I HA 0.543 4.713 4.170 0.000 0.000 0.308 339 I C 0.059 176.118 176.117 -0.096 0.000 0.984 339 I CA -1.397 59.829 61.300 -0.123 0.000 1.213 339 I CB 1.343 39.295 38.000 -0.080 0.000 1.379 339 I HN -0.194 nan 8.210 nan 0.000 0.501 340 R N 4.637 125.089 120.500 -0.079 0.000 2.698 340 R HA 0.676 5.016 4.340 0.000 0.000 0.275 340 R C -2.026 174.238 176.300 -0.061 0.000 1.001 340 R CA -1.019 55.040 56.100 -0.068 0.000 0.896 340 R CB 1.689 31.944 30.300 -0.076 0.000 1.218 340 R HN 0.690 nan 8.270 nan 0.000 0.462 341 L N 2.878 124.073 121.223 -0.047 0.000 2.296 341 L HA 0.636 4.976 4.340 0.000 0.000 0.286 341 L C -0.201 176.643 176.870 -0.044 0.000 1.023 341 L CA -1.182 53.633 54.840 -0.043 0.000 0.812 341 L CB 1.790 43.834 42.059 -0.026 0.000 1.223 341 L HN 0.625 nan 8.230 nan 0.000 0.421 342 V N 0.124 120.002 119.914 -0.059 0.000 3.007 342 V HA 0.516 4.636 4.120 0.000 0.000 0.311 342 V C -0.258 175.803 176.094 -0.055 0.000 1.120 342 V CA -0.928 61.338 62.300 -0.057 0.000 0.980 342 V CB 1.931 33.698 31.823 -0.093 0.000 1.033 342 V HN 0.871 nan 8.190 nan 0.000 0.429 343 E N 2.539 122.718 120.200 -0.034 0.000 2.422 343 E HA 0.436 4.786 4.350 0.000 0.000 0.260 343 E C 0.466 177.035 176.600 -0.052 0.000 1.108 343 E CA 0.198 56.574 56.400 -0.040 0.000 0.943 343 E CB 1.150 30.849 29.700 -0.003 0.000 0.961 343 E HN 1.052 nan 8.360 nan 0.000 0.443 344 G N 0.870 109.636 108.800 -0.058 0.000 2.975 344 G HA2 -0.083 3.877 3.960 0.000 0.000 0.159 344 G HA3 -0.083 3.877 3.960 0.000 0.000 0.159 344 G C 0.712 175.594 174.900 -0.030 0.000 1.525 344 G CA -0.216 44.856 45.100 -0.047 0.000 1.075 344 G HN 0.552 nan 8.290 nan 0.000 0.574 345 Q N -0.314 119.472 119.800 -0.023 0.000 2.291 345 Q HA 0.027 4.367 4.340 0.000 0.000 0.205 345 Q C 1.079 177.073 176.000 -0.010 0.000 0.970 345 Q CA 1.136 56.932 55.803 -0.012 0.000 0.876 345 Q CB 0.028 28.762 28.738 -0.008 0.000 0.935 345 Q HN 0.505 nan 8.270 nan 0.000 0.455 346 S N -2.229 113.461 115.700 -0.017 0.000 2.596 346 S HA 0.253 4.723 4.470 0.000 0.000 0.270 346 S C 0.405 174.995 174.600 -0.017 0.000 1.155 346 S CA -0.812 57.384 58.200 -0.008 0.000 0.827 346 S CB 1.403 64.599 63.200 -0.005 0.000 1.130 346 S HN -0.113 nan 8.310 nan 0.000 0.467 347 Q N 0.766 120.572 119.800 0.011 0.000 2.443 347 Q HA -0.098 4.242 4.340 0.000 0.000 0.213 347 Q C 1.011 176.975 176.000 -0.061 0.000 0.982 347 Q CA 1.212 57.031 55.803 0.027 0.000 0.894 347 Q CB -0.607 28.206 28.738 0.124 0.000 0.947 347 Q HN 0.758 nan 8.270 nan 0.000 0.480 348 N N -0.234 118.430 118.700 -0.061 0.000 2.449 348 N HA -0.015 4.725 4.740 0.000 0.000 0.191 348 N C -0.834 174.580 175.510 -0.159 0.000 1.161 348 N CA 0.059 53.046 53.050 -0.105 0.000 0.863 348 N CB 0.533 38.992 38.487 -0.047 0.000 0.980 348 N HN -0.158 nan 8.380 nan 0.000 0.458 349 V N 1.017 120.835 119.914 -0.160 0.000 2.888 349 V HA 0.473 4.593 4.120 0.000 0.000 0.309 349 V C -0.867 175.128 176.094 -0.165 0.000 1.114 349 V CA -1.180 61.029 62.300 -0.152 0.000 0.940 349 V CB 1.853 33.623 31.823 -0.089 0.000 1.021 349 V HN 0.072 nan 8.190 nan 0.000 0.426 350 L N 1.827 122.951 121.223 -0.165 0.000 2.370 350 L HA 0.869 5.209 4.340 0.000 0.000 0.266 350 L C -0.698 176.118 176.870 -0.090 0.000 1.002 350 L CA -0.384 54.374 54.840 -0.136 0.000 0.818 350 L CB 2.038 43.993 42.059 -0.173 0.000 1.325 350 L HN 0.672 nan 8.230 nan 0.000 0.418 351 Q N 1.322 121.078 119.800 -0.073 0.000 2.375 351 Q HA 0.735 5.075 4.340 0.000 0.000 0.271 351 Q C -1.459 174.510 176.000 -0.052 0.000 1.074 351 Q CA -1.068 54.701 55.803 -0.056 0.000 0.808 351 Q CB 3.133 31.834 28.738 -0.062 0.000 1.327 351 Q HN 0.642 nan 8.270 nan 0.000 0.441 352 V N 3.057 122.952 119.914 -0.032 0.000 2.350 352 V HA 0.440 4.560 4.120 0.000 0.000 0.276 352 V C -0.139 175.935 176.094 -0.033 0.000 1.028 352 V CA -0.346 61.938 62.300 -0.026 0.000 0.860 352 V CB 0.987 32.812 31.823 0.003 0.000 0.990 352 V HN 0.628 nan 8.190 nan 0.000 0.453 353 R N 2.985 123.450 120.500 -0.058 0.000 2.873 353 R HA 0.914 5.254 4.340 0.000 0.000 0.264 353 R C -1.420 174.838 176.300 -0.070 0.000 1.026 353 R CA -0.834 55.227 56.100 -0.063 0.000 1.002 353 R CB 2.585 32.810 30.300 -0.125 0.000 1.174 353 R HN 0.456 nan 8.270 nan 0.000 0.488 354 V N 0.233 120.111 119.914 -0.060 0.000 3.077 354 V HA 0.555 4.676 4.120 0.000 0.000 0.299 354 V C -1.357 174.685 176.094 -0.088 0.000 1.276 354 V CA -0.646 61.598 62.300 -0.094 0.000 0.993 354 V CB 2.179 33.924 31.823 -0.131 0.000 1.076 354 V HN 0.956 nan 8.190 nan 0.000 0.434 355 A N 6.097 128.856 122.820 -0.101 0.000 2.401 355 A HA 0.641 4.961 4.320 0.000 0.000 0.259 355 A C -1.701 175.786 177.584 -0.161 0.000 1.103 355 A CA -0.930 51.042 52.037 -0.108 0.000 0.789 355 A CB 0.404 19.351 19.000 -0.089 0.000 1.035 355 A HN 0.760 nan 8.150 nan 0.000 0.491 356 P HA -0.200 nan 4.420 nan 0.000 0.218 356 P C 1.545 178.764 177.300 -0.136 0.000 1.154 356 P CA 2.120 65.006 63.100 -0.358 0.000 0.872 356 P CB 0.169 31.541 31.700 -0.546 0.000 0.790 357 T N -2.244 112.256 114.554 -0.089 0.000 3.155 357 T HA -0.013 4.338 4.350 0.000 0.000 0.264 357 T C 1.530 176.203 174.700 -0.046 0.000 1.160 357 T CA 1.118 63.196 62.100 -0.036 0.000 1.075 357 T CB -0.700 68.150 68.868 -0.030 0.000 0.921 357 T HN 0.011 nan 8.240 nan 0.000 0.533 358 S N 0.532 116.183 115.700 -0.081 0.000 2.517 358 S HA 0.177 4.648 4.470 0.000 0.000 0.214 358 S C 1.851 176.392 174.600 -0.098 0.000 0.991 358 S CA -0.106 58.039 58.200 -0.092 0.000 0.906 358 S CB -0.034 63.085 63.200 -0.135 0.000 0.789 358 S HN 0.374 nan 8.310 nan 0.000 0.513 359 M N 1.501 121.035 119.600 -0.110 0.000 2.108 359 M HA -0.010 4.470 4.480 0.000 0.000 0.261 359 M C -1.025 175.191 176.300 -0.139 0.000 1.066 359 M CA 1.203 56.410 55.300 -0.155 0.000 1.107 359 M CB -2.734 29.793 32.600 -0.122 0.000 1.356 359 M HN 0.073 nan 8.290 nan 0.000 0.406 360 P HA -0.121 nan 4.420 nan 0.000 0.216 360 P C 0.842 178.135 177.300 -0.012 0.000 1.150 360 P CA 1.341 64.386 63.100 -0.090 0.000 0.843 360 P CB -0.070 31.609 31.700 -0.036 0.000 0.787 361 N N -1.920 116.805 118.700 0.041 0.000 2.280 361 N HA 0.071 4.811 4.740 0.000 0.000 0.192 361 N C 0.025 175.623 175.510 0.146 0.000 1.109 361 N CA -0.083 53.067 53.050 0.167 0.000 0.855 361 N CB -0.322 38.282 38.487 0.194 0.000 0.974 361 N HN 0.058 nan 8.380 nan 0.000 0.482 362 L N 1.002 122.242 121.223 0.028 0.000 2.313 362 L HA 0.153 4.494 4.340 0.000 0.000 0.282 362 L C 0.862 177.771 176.870 0.065 0.000 1.092 362 L CA 0.206 55.048 54.840 0.003 0.000 0.831 362 L CB 0.996 42.954 42.059 -0.168 0.000 1.159 362 L HN -0.111 nan 8.230 nan 0.000 0.442 363 V N 4.140 124.101 119.914 0.078 0.000 2.825 363 V HA 0.493 4.613 4.120 0.000 0.000 0.246 363 V C 1.006 177.354 176.094 0.423 0.000 1.068 363 V CA 0.839 63.234 62.300 0.159 0.000 1.088 363 V CB -0.329 31.382 31.823 -0.186 0.000 0.733 363 V HN 0.948 nan 8.190 nan 0.000 0.468 364 G N -0.585 108.427 108.800 0.353 0.000 2.368 364 G HA2 0.521 4.482 3.960 0.000 0.000 0.293 364 G HA3 0.521 4.482 3.960 0.000 0.000 0.293 364 G C -1.732 173.335 174.900 0.279 0.000 1.467 364 G CA 0.181 45.528 45.100 0.412 0.000 0.804 364 G HN 0.621 nan 8.290 nan 0.000 0.535 365 V N -2.710 117.355 119.914 0.252 0.000 3.049 365 V HA 0.969 5.089 4.120 0.000 0.000 0.309 365 V C -0.396 175.751 176.094 0.088 0.000 1.148 365 V CA -0.861 61.530 62.300 0.152 0.000 0.990 365 V CB 1.622 33.546 31.823 0.169 0.000 1.039 365 V HN 1.179 nan 8.190 nan 0.000 0.430 366 S N 3.421 119.147 115.700 0.044 0.000 2.538 366 S HA 0.789 5.259 4.470 0.000 0.000 0.288 366 S C -0.991 173.640 174.600 0.051 0.000 1.108 366 S CA -0.478 57.740 58.200 0.030 0.000 0.971 366 S CB 1.582 64.760 63.200 -0.037 0.000 1.041 366 S HN 1.108 nan 8.310 nan 0.000 0.483 367 L N 3.564 124.846 121.223 0.097 0.000 2.287 367 L HA 0.683 5.023 4.340 0.000 0.000 0.287 367 L C -1.143 175.790 176.870 0.105 0.000 1.022 367 L CA -0.150 54.763 54.840 0.122 0.000 0.814 367 L CB 0.714 42.884 42.059 0.184 0.000 1.217 367 L HN 0.722 nan 8.230 nan 0.000 0.420 368 M N 7.478 127.163 119.600 0.141 0.000 2.197 368 M HA 0.646 5.126 4.480 0.000 0.000 0.301 368 M C -1.142 175.268 176.300 0.183 0.000 0.987 368 M CA -0.386 55.009 55.300 0.159 0.000 0.921 368 M CB 1.763 34.514 32.600 0.252 0.000 1.569 368 M HN 0.632 nan 8.290 nan 0.000 0.431 369 L N -0.661 120.632 121.223 0.116 0.000 2.630 369 L HA 0.758 5.098 4.340 0.000 0.000 0.258 369 L C -0.556 176.358 176.870 0.073 0.000 1.072 369 L CA -1.272 53.639 54.840 0.119 0.000 0.885 369 L CB 1.308 43.421 42.059 0.091 0.000 1.502 369 L HN 0.448 nan 8.230 nan 0.000 0.406 370 E N 1.226 121.471 120.200 0.076 0.000 2.820 370 E HA 0.290 4.640 4.350 0.000 0.000 0.251 370 E C 1.105 177.717 176.600 0.020 0.000 0.944 370 E CA 1.772 58.200 56.400 0.047 0.000 0.955 370 E CB -0.054 29.679 29.700 0.055 0.000 0.904 370 E HN 1.098 nan 8.360 nan 0.000 0.513 371 G N 3.888 112.686 108.800 -0.004 0.000 2.166 371 G HA2 -0.323 3.637 3.960 0.000 0.000 0.260 371 G HA3 -0.323 3.637 3.960 0.000 0.000 0.260 371 G C -0.100 174.768 174.900 -0.054 0.000 0.986 371 G CA 0.711 45.795 45.100 -0.027 0.000 0.683 371 G HN 0.573 nan 8.290 nan 0.000 0.527 372 Q N -1.135 118.619 119.800 -0.077 0.000 2.320 372 Q HA 0.574 4.914 4.340 0.000 0.000 0.272 372 Q C -0.898 174.918 176.000 -0.307 0.000 1.023 372 Q CA -0.588 55.087 55.803 -0.214 0.000 0.855 372 Q CB 2.130 30.809 28.738 -0.097 0.000 1.367 372 Q HN 0.352 nan 8.270 nan 0.000 0.406 373 Q N 2.253 121.714 119.800 -0.564 0.000 2.263 373 Q HA 0.452 4.792 4.340 0.000 0.000 0.266 373 Q C -1.983 173.624 176.000 -0.655 0.000 1.002 373 Q CA -0.461 55.103 55.803 -0.399 0.000 0.790 373 Q CB 1.389 30.062 28.738 -0.108 0.000 1.272 373 Q HN 0.605 nan 8.270 nan 0.000 0.435 374 Y N 1.820 122.139 120.300 0.032 0.000 2.331 374 Y HA 0.419 4.969 4.550 0.000 0.000 0.334 374 Y C -0.335 175.559 175.900 -0.010 0.000 0.960 374 Y CA -0.839 57.265 58.100 0.006 0.000 1.130 374 Y CB 1.728 40.188 38.460 -0.001 0.000 1.164 374 Y HN 0.513 nan 8.280 nan 0.000 0.458 375 R N 3.802 124.360 120.500 0.096 0.000 2.215 375 R HA 0.521 4.861 4.340 0.000 0.000 0.337 375 R C -1.739 174.557 176.300 -0.008 0.000 1.010 375 R CA -0.687 55.430 56.100 0.028 0.000 0.871 375 R CB 0.229 30.529 30.300 -0.002 0.000 1.134 375 R HN 0.567 nan 8.270 nan 0.000 0.477 376 L N 4.647 125.848 121.223 -0.036 0.000 2.260 376 L HA 0.299 4.639 4.340 0.000 0.000 0.289 376 L C -0.184 176.499 176.870 -0.312 0.000 1.057 376 L CA 0.149 54.877 54.840 -0.188 0.000 0.811 376 L CB 1.337 43.294 42.059 -0.169 0.000 1.184 376 L HN 0.551 nan 8.230 nan 0.000 0.429 377 E N 3.542 123.494 120.200 -0.414 0.000 2.166 377 E HA 0.191 4.541 4.350 0.000 0.000 0.275 377 E C -0.570 175.696 176.600 -0.556 0.000 0.941 377 E CA -0.329 55.819 56.400 -0.420 0.000 0.784 377 E CB 1.275 30.582 29.700 -0.654 0.000 1.115 377 E HN 0.378 nan 8.360 nan 0.000 0.399 378 Y N 1.672 122.019 120.300 0.078 0.000 2.571 378 Y HA 0.158 4.708 4.550 0.000 0.000 0.275 378 Y C 0.119 176.197 175.900 0.296 0.000 1.179 378 Y CA -0.487 57.694 58.100 0.135 0.000 1.242 378 Y CB -0.104 38.432 38.460 0.127 0.000 1.126 378 Y HN 0.383 nan 8.280 nan 0.000 0.524 379 F N -2.533 117.528 119.950 0.183 0.000 2.650 379 F HA 0.886 5.413 4.527 0.000 0.000 0.320 379 F C 0.535 176.383 175.800 0.080 0.000 1.091 379 F CA -1.482 56.633 58.000 0.192 0.000 0.962 379 F CB 0.628 39.740 39.000 0.187 0.000 1.363 379 F HN 0.012 nan 8.300 nan 0.000 0.482 380 G N 1.166 110.056 108.800 0.151 0.000 2.806 380 G HA2 -0.149 3.811 3.960 0.000 0.000 0.236 380 G HA3 -0.149 3.811 3.960 0.000 0.000 0.236 380 G C -0.584 174.204 174.900 -0.187 0.000 1.387 380 G CA 0.194 45.285 45.100 -0.014 0.000 0.884 380 G HN 0.987 nan 8.290 nan 0.000 0.560 381 D N 0.389 120.618 120.400 -0.286 0.000 2.571 381 D HA 0.248 4.888 4.640 0.000 0.000 0.239 381 D C 0.531 176.411 176.300 -0.699 0.000 1.267 381 D CA 0.261 53.988 54.000 -0.454 0.000 0.823 381 D CB 0.214 40.721 40.800 -0.488 0.000 1.056 381 D HN 0.480 nan 8.370 nan 0.000 0.494 382 H N 0.000 119.002 119.070 -0.114 0.000 2.539 382 H HA 0.000 4.556 4.556 0.000 0.000 0.296 382 H CA 0.000 55.993 56.048 -0.092 0.000 1.023 382 H CB 0.000 29.739 29.762 -0.039 0.000 1.292 382 H HN 0.000 nan 8.280 nan 0.000 0.496