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 1ll9_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.472 177.584 -0.187 0.000 1.274 4 A CA 0.000 51.967 52.037 -0.116 0.000 0.836 4 A CB 0.000 18.961 19.000 -0.064 0.000 0.831 5 P HA 0.002 nan 4.420 nan 0.000 0.264 5 P C 1.135 178.321 177.300 -0.190 0.000 1.183 5 P CA 0.019 62.972 63.100 -0.244 0.000 0.763 5 P CB 0.752 32.238 31.700 -0.357 0.000 0.807 6 Q N 2.892 122.622 119.800 -0.116 0.000 2.152 6 Q HA -0.289 4.051 4.340 -0.000 0.000 0.206 6 Q C 1.792 177.740 176.000 -0.088 0.000 0.985 6 Q CA 1.978 57.736 55.803 -0.074 0.000 0.863 6 Q CB -0.109 28.600 28.738 -0.048 0.000 0.904 6 Q HN 0.601 nan 8.270 nan 0.000 0.422 7 Q N -0.268 119.450 119.800 -0.137 0.000 2.096 7 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 7 Q C 2.194 178.094 176.000 -0.165 0.000 0.982 7 Q CA 1.635 57.349 55.803 -0.148 0.000 0.850 7 Q CB -0.088 28.532 28.738 -0.197 0.000 0.901 7 Q HN 0.506 nan 8.270 nan 0.000 0.422 8 I N 0.757 121.186 120.570 -0.235 0.000 2.233 8 I HA -0.240 3.930 4.170 -0.000 0.000 0.243 8 I C 1.967 178.055 176.117 -0.048 0.000 1.093 8 I CA 0.670 61.861 61.300 -0.183 0.000 1.380 8 I CB -0.439 37.398 38.000 -0.272 0.000 1.067 8 I HN 0.251 nan 8.210 nan 0.000 0.413 9 N N 0.907 119.624 118.700 0.029 0.000 2.149 9 N HA -0.238 4.502 4.740 -0.000 0.000 0.188 9 N C 1.502 177.058 175.510 0.078 0.000 1.019 9 N CA 1.775 54.906 53.050 0.135 0.000 0.857 9 N CB -0.469 38.080 38.487 0.103 0.000 0.997 9 N HN 0.398 nan 8.380 nan 0.000 0.426 10 D N 0.432 120.852 120.400 0.034 0.000 2.084 10 D HA -0.089 4.551 4.640 -0.000 0.000 0.196 10 D C 1.892 178.213 176.300 0.035 0.000 0.985 10 D CA 0.524 54.555 54.000 0.051 0.000 0.826 10 D CB -0.132 40.678 40.800 0.016 0.000 0.978 10 D HN 0.072 nan 8.370 nan 0.000 0.456 11 I N -0.200 120.358 120.570 -0.019 0.000 2.315 11 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 11 I C 2.024 178.116 176.117 -0.041 0.000 1.117 11 I CA 0.843 62.123 61.300 -0.033 0.000 1.404 11 I CB -0.179 37.788 38.000 -0.055 0.000 1.071 11 I HN -0.009 nan 8.210 nan 0.000 0.419 12 V N 0.125 119.982 119.914 -0.095 0.000 2.307 12 V HA -0.308 3.812 4.120 -0.000 0.000 0.245 12 V C 2.546 178.677 176.094 0.062 0.000 1.045 12 V CA 2.230 64.438 62.300 -0.155 0.000 1.024 12 V CB -1.089 30.346 31.823 -0.647 0.000 0.651 12 V HN 0.528 nan 8.190 nan 0.000 0.449 13 H N 1.056 120.142 119.070 0.027 0.000 2.353 13 H HA -0.109 4.446 4.556 -0.000 0.000 0.300 13 H C 2.404 177.780 175.328 0.080 0.000 1.090 13 H CA 1.977 58.109 56.048 0.141 0.000 1.327 13 H CB -0.117 29.718 29.762 0.121 0.000 1.383 13 H HN 0.310 nan 8.280 nan 0.000 0.508 14 R N -1.128 119.357 120.500 -0.025 0.000 2.189 14 R HA -0.009 4.331 4.340 -0.000 0.000 0.218 14 R C 1.792 178.046 176.300 -0.077 0.000 1.074 14 R CA 1.497 57.533 56.100 -0.107 0.000 0.991 14 R CB 0.188 30.458 30.300 -0.051 0.000 0.883 14 R HN 0.322 nan 8.270 nan 0.000 0.457 15 T N 0.449 114.976 114.554 -0.045 0.000 2.988 15 T HA 0.119 4.469 4.350 -0.000 0.000 0.240 15 T C 1.749 176.398 174.700 -0.085 0.000 1.014 15 T CA 0.298 62.372 62.100 -0.043 0.000 1.155 15 T CB 0.192 69.051 68.868 -0.015 0.000 0.872 15 T HN -0.047 nan 8.240 nan 0.000 0.440 16 I N 2.146 122.647 120.570 -0.115 0.000 2.277 16 I HA -0.066 4.104 4.170 -0.000 0.000 0.243 16 I C 2.638 178.491 176.117 -0.440 0.000 1.094 16 I CA 1.376 62.497 61.300 -0.298 0.000 1.393 16 I CB -1.856 35.875 38.000 -0.449 0.000 1.078 16 I HN 0.242 nan 8.210 nan 0.000 0.417 17 T N 2.195 116.589 114.554 -0.266 0.000 2.665 17 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 17 T C -0.278 174.303 174.700 -0.199 0.000 1.035 17 T CA 1.827 63.809 62.100 -0.196 0.000 1.151 17 T CB -1.397 67.581 68.868 0.183 0.000 0.862 17 T HN 0.233 nan 8.240 nan 0.000 0.438 18 P HA 0.021 nan 4.420 nan 0.000 0.217 18 P C 1.654 178.870 177.300 -0.141 0.000 1.151 18 P CA 0.445 63.468 63.100 -0.127 0.000 0.828 18 P CB -0.157 31.481 31.700 -0.104 0.000 0.788 19 L N -0.598 120.521 121.223 -0.174 0.000 2.017 19 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 19 L C 2.118 178.835 176.870 -0.254 0.000 1.073 19 L CA 1.846 56.577 54.840 -0.182 0.000 0.745 19 L CB -1.139 40.812 42.059 -0.179 0.000 0.894 19 L HN -0.133 nan 8.230 nan 0.000 0.432 20 I N -0.449 119.926 120.570 -0.325 0.000 2.226 20 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 20 I C 2.438 178.434 176.117 -0.203 0.000 1.100 20 I CA 1.088 62.196 61.300 -0.320 0.000 1.374 20 I CB -0.464 37.300 38.000 -0.392 0.000 1.057 20 I HN 0.334 nan 8.210 nan 0.000 0.413 21 E N 0.671 120.778 120.200 -0.155 0.000 2.072 21 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 21 E C 2.169 178.717 176.600 -0.088 0.000 0.985 21 E CA 1.229 57.571 56.400 -0.097 0.000 0.801 21 E CB -0.355 29.304 29.700 -0.069 0.000 0.750 21 E HN 0.603 nan 8.360 nan 0.000 0.452 22 Q N 0.175 119.918 119.800 -0.094 0.000 2.124 22 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 22 Q C 1.852 177.810 176.000 -0.070 0.000 0.977 22 Q CA 0.945 56.706 55.803 -0.069 0.000 0.850 22 Q CB 0.080 28.782 28.738 -0.060 0.000 0.901 22 Q HN 0.178 nan 8.270 nan 0.000 0.429 23 Q N -0.061 119.669 119.800 -0.118 0.000 2.319 23 Q HA 0.049 4.389 4.340 -0.000 0.000 0.202 23 Q C -0.237 175.700 176.000 -0.104 0.000 0.896 23 Q CA 0.191 55.923 55.803 -0.117 0.000 0.942 23 Q CB 0.799 29.384 28.738 -0.255 0.000 1.083 23 Q HN 0.158 nan 8.270 nan 0.000 0.510 24 K N 0.456 120.795 120.400 -0.103 0.000 3.096 24 K HA -0.176 4.144 4.320 -0.000 0.000 0.266 24 K C -0.378 176.169 176.600 -0.089 0.000 1.043 24 K CA 0.428 56.667 56.287 -0.078 0.000 0.758 24 K CB -2.444 30.028 32.500 -0.046 0.000 1.260 24 K HN 0.348 nan 8.250 nan 0.000 0.481 25 I N 1.409 121.898 120.570 -0.135 0.000 2.436 25 I HA -0.001 4.169 4.170 -0.000 0.000 0.289 25 I C -0.727 175.356 176.117 -0.057 0.000 1.083 25 I CA -1.890 59.340 61.300 -0.116 0.000 1.372 25 I CB 0.685 38.554 38.000 -0.218 0.000 1.408 25 I HN -0.040 nan 8.210 nan 0.000 0.516 26 P HA -0.064 nan 4.420 nan 0.000 0.214 26 P C 0.421 177.764 177.300 0.072 0.000 1.163 26 P CA 0.636 63.716 63.100 -0.034 0.000 0.883 26 P CB 0.251 31.855 31.700 -0.161 0.000 0.788 27 G N -1.638 107.265 108.800 0.170 0.000 2.696 27 G HA2 0.688 4.648 3.960 -0.000 0.000 0.295 27 G HA3 0.688 4.648 3.960 -0.000 0.000 0.295 27 G C -1.872 173.267 174.900 0.397 0.000 1.398 27 G CA -0.370 44.903 45.100 0.289 0.000 0.920 27 G HN 0.064 nan 8.290 nan 0.000 0.492 28 M N 0.978 120.852 119.600 0.457 0.000 2.471 28 M HA 0.704 5.184 4.480 -0.000 0.000 0.284 28 M C -1.612 175.001 176.300 0.522 0.000 1.203 28 M CA -0.606 54.941 55.300 0.412 0.000 0.915 28 M CB 2.252 34.955 32.600 0.172 0.000 1.734 28 M HN 1.056 nan 8.290 nan 0.000 0.485 29 A N 3.153 126.143 122.820 0.283 0.000 2.393 29 A HA 0.885 5.205 4.320 -0.000 0.000 0.306 29 A C -1.780 176.000 177.584 0.327 0.000 1.050 29 A CA -0.612 51.623 52.037 0.330 0.000 0.724 29 A CB 1.870 20.977 19.000 0.177 0.000 1.248 29 A HN 0.632 nan 8.150 nan 0.000 0.424 30 V N 0.713 120.936 119.914 0.515 0.000 2.841 30 V HA 0.819 4.938 4.120 -0.000 0.000 0.310 30 V C 0.002 176.421 176.094 0.543 0.000 1.090 30 V CA -0.181 62.412 62.300 0.488 0.000 0.930 30 V CB 1.927 34.077 31.823 0.545 0.000 1.014 30 V HN 1.496 nan 8.190 nan 0.000 0.425 31 A N 3.668 126.727 122.820 0.398 0.000 2.371 31 A HA 0.910 5.230 4.320 -0.000 0.000 0.311 31 A C -1.283 176.446 177.584 0.242 0.000 1.068 31 A CA -0.568 51.641 52.037 0.287 0.000 0.744 31 A CB 1.909 21.046 19.000 0.227 0.000 1.239 31 A HN 0.690 nan 8.150 nan 0.000 0.435 32 V N 3.248 123.315 119.914 0.255 0.000 2.487 32 V HA 0.376 4.496 4.120 -0.000 0.000 0.298 32 V C -0.936 175.280 176.094 0.202 0.000 1.028 32 V CA -0.303 62.142 62.300 0.243 0.000 0.860 32 V CB 1.440 33.453 31.823 0.317 0.000 0.991 32 V HN 0.731 nan 8.190 nan 0.000 0.427 33 I N 5.671 126.315 120.570 0.123 0.000 2.304 33 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 33 I C -0.687 175.537 176.117 0.177 0.000 1.018 33 I CA -0.242 61.105 61.300 0.078 0.000 1.260 33 I CB 0.744 38.722 38.000 -0.037 0.000 1.390 33 I HN 0.579 nan 8.210 nan 0.000 0.475 34 Y N 5.513 125.893 120.300 0.133 0.000 2.331 34 Y HA 0.340 4.890 4.550 0.000 0.000 0.334 34 Y C 0.246 176.198 175.900 0.088 0.000 0.960 34 Y CA -0.823 57.347 58.100 0.117 0.000 1.130 34 Y CB 1.050 39.610 38.460 0.166 0.000 1.164 34 Y HN 0.675 nan 8.280 nan 0.000 0.458 35 Q N 4.541 124.077 119.800 -0.441 0.000 2.453 35 Q HA -0.270 4.070 4.340 -0.000 0.000 0.294 35 Q C 1.096 177.010 176.000 -0.143 0.000 1.295 35 Q CA 1.114 56.717 55.803 -0.333 0.000 0.853 35 Q CB -1.699 26.826 28.738 -0.355 0.000 1.193 35 Q HN 1.369 nan 8.270 nan 0.000 0.461 36 G N -1.098 107.628 108.800 -0.123 0.000 2.212 36 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.266 36 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.266 36 G C 0.047 174.891 174.900 -0.093 0.000 0.978 36 G CA 0.743 45.778 45.100 -0.108 0.000 0.632 36 G HN 0.172 nan 8.290 nan 0.000 0.537 37 K N 1.233 121.595 120.400 -0.064 0.000 2.164 37 K HA 0.562 4.882 4.320 -0.000 0.000 0.258 37 K C -2.513 173.895 176.600 -0.321 0.000 0.951 37 K CA -2.238 53.945 56.287 -0.172 0.000 0.844 37 K CB 2.480 34.880 32.500 -0.167 0.000 1.099 37 K HN 0.195 nan 8.250 nan 0.000 0.435 38 P HA 0.332 nan 4.420 nan 0.000 0.286 38 P C -1.279 175.366 177.300 -1.092 0.000 1.261 38 P CA -0.429 62.307 63.100 -0.605 0.000 0.821 38 P CB 0.662 32.082 31.700 -0.468 0.000 1.013 39 Y N 0.611 120.579 120.300 -0.554 0.000 2.421 39 Y HA 0.429 4.979 4.550 -0.000 0.000 0.339 39 Y C -0.162 175.292 175.900 -0.742 0.000 0.996 39 Y CA -0.456 57.326 58.100 -0.531 0.000 1.046 39 Y CB 1.833 40.172 38.460 -0.202 0.000 1.226 39 Y HN 0.282 nan 8.280 nan 0.000 0.445 40 Y N 2.385 122.490 120.300 -0.325 0.000 2.446 40 Y HA 0.730 5.280 4.550 -0.000 0.000 0.338 40 Y C -0.988 174.469 175.900 -0.737 0.000 1.055 40 Y CA -1.320 56.598 58.100 -0.303 0.000 1.101 40 Y CB 1.566 39.949 38.460 -0.128 0.000 1.221 40 Y HN 0.378 nan 8.280 nan 0.000 0.460 41 F N 0.272 120.311 119.950 0.149 0.000 2.569 41 F HA 0.623 5.150 4.527 -0.000 0.000 0.312 41 F C -0.358 175.316 175.800 -0.210 0.000 1.109 41 F CA -0.934 56.967 58.000 -0.165 0.000 0.919 41 F CB 2.431 41.324 39.000 -0.178 0.000 1.211 41 F HN 0.404 nan 8.300 nan 0.000 0.446 42 T N -1.308 113.053 114.554 -0.321 0.000 2.900 42 T HA 0.668 5.018 4.350 -0.000 0.000 0.295 42 T C -1.500 173.058 174.700 -0.237 0.000 1.044 42 T CA -0.737 61.331 62.100 -0.053 0.000 0.995 42 T CB 1.914 70.820 68.868 0.063 0.000 1.072 42 T HN 0.624 nan 8.240 nan 0.000 0.473 43 W N 0.233 121.614 121.300 0.135 0.000 3.107 43 W HA 0.506 5.166 4.660 -0.000 0.000 0.331 43 W C 0.840 177.376 176.519 0.028 0.000 1.204 43 W CA -0.252 57.133 57.345 0.067 0.000 1.184 43 W CB 1.706 31.207 29.460 0.068 0.000 1.421 43 W HN 1.382 nan 8.180 nan 0.000 0.544 44 G N 1.223 110.101 108.800 0.129 0.000 2.598 44 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.269 44 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.269 44 G C -1.353 173.458 174.900 -0.148 0.000 1.289 44 G CA -0.041 44.985 45.100 -0.123 0.000 0.926 44 G HN 0.545 nan 8.290 nan 0.000 0.567 45 Y N -0.361 120.022 120.300 0.138 0.000 2.487 45 Y HA 0.577 5.127 4.550 -0.000 0.000 0.337 45 Y C 1.363 177.364 175.900 0.168 0.000 1.076 45 Y CA -0.355 57.822 58.100 0.129 0.000 1.115 45 Y CB 1.966 40.472 38.460 0.077 0.000 1.235 45 Y HN 0.755 nan 8.280 nan 0.000 0.468 46 A N 0.282 123.312 122.820 0.351 0.000 1.984 46 A HA 0.010 4.330 4.320 -0.000 0.000 0.214 46 A C 0.131 177.917 177.584 0.337 0.000 1.173 46 A CA 0.952 53.138 52.037 0.249 0.000 0.673 46 A CB 0.155 19.242 19.000 0.145 0.000 0.830 46 A HN 0.675 nan 8.150 nan 0.000 0.453 47 D N -0.688 119.905 120.400 0.321 0.000 2.476 47 D HA 0.398 5.038 4.640 -0.000 0.000 0.251 47 D C 0.626 176.995 176.300 0.114 0.000 1.291 47 D CA -0.397 53.792 54.000 0.315 0.000 0.939 47 D CB 0.863 41.822 40.800 0.266 0.000 1.221 47 D HN 0.150 nan 8.370 nan 0.000 0.567 48 I N 2.224 122.866 120.570 0.121 0.000 2.179 48 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 48 I C 2.497 178.492 176.117 -0.204 0.000 1.088 48 I CA 1.187 62.417 61.300 -0.116 0.000 1.357 48 I CB -0.110 37.770 38.000 -0.199 0.000 1.051 48 I HN 0.423 nan 8.210 nan 0.000 0.409 49 A N 1.052 123.808 122.820 -0.107 0.000 1.883 49 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 49 A C 2.208 179.705 177.584 -0.145 0.000 1.186 49 A CA 1.766 53.728 52.037 -0.126 0.000 0.624 49 A CB -0.497 18.431 19.000 -0.121 0.000 0.822 49 A HN 0.368 nan 8.150 nan 0.000 0.444 50 K N -0.792 119.536 120.400 -0.120 0.000 2.487 50 K HA 0.082 4.402 4.320 -0.000 0.000 0.192 50 K C -0.141 176.350 176.600 -0.182 0.000 1.027 50 K CA 0.302 56.528 56.287 -0.102 0.000 1.054 50 K CB 0.042 32.529 32.500 -0.022 0.000 0.824 50 K HN 0.423 nan 8.250 nan 0.000 0.510 51 K N 1.351 121.516 120.400 -0.393 0.000 3.016 51 K HA -0.175 4.145 4.320 -0.000 0.000 0.262 51 K C -0.747 175.640 176.600 -0.356 0.000 1.043 51 K CA 0.513 56.316 56.287 -0.806 0.000 0.761 51 K CB -0.816 31.369 32.500 -0.526 0.000 1.230 51 K HN 0.205 nan 8.250 nan 0.000 0.485 52 Q N 0.578 120.319 119.800 -0.099 0.000 2.295 52 Q HA 0.177 4.516 4.340 -0.000 0.000 0.259 52 Q C -2.071 174.119 176.000 0.317 0.000 0.976 52 Q CA -1.670 54.200 55.803 0.112 0.000 0.923 52 Q CB 0.870 29.673 28.738 0.109 0.000 1.185 52 Q HN 0.184 nan 8.270 nan 0.000 0.410 53 P HA 0.090 nan 4.420 nan 0.000 0.274 53 P C -0.257 177.181 177.300 0.230 0.000 1.237 53 P CA -0.358 62.937 63.100 0.325 0.000 0.793 53 P CB 0.923 32.749 31.700 0.209 0.000 0.977 54 V N 1.924 121.974 119.914 0.226 0.000 2.614 54 V HA 0.302 4.421 4.120 -0.000 0.000 0.291 54 V C 1.208 177.417 176.094 0.191 0.000 1.049 54 V CA 0.582 63.036 62.300 0.257 0.000 1.038 54 V CB 0.477 32.529 31.823 0.382 0.000 0.980 54 V HN 0.901 nan 8.190 nan 0.000 0.481 55 T N 1.486 116.143 114.554 0.172 0.000 2.716 55 T HA 0.367 4.717 4.350 -0.000 0.000 0.286 55 T C 0.395 175.145 174.700 0.083 0.000 1.052 55 T CA -0.652 61.503 62.100 0.092 0.000 1.024 55 T CB 1.673 70.567 68.868 0.043 0.000 1.349 55 T HN 0.299 nan 8.240 nan 0.000 0.525 56 Q N -0.421 119.364 119.800 -0.025 0.000 2.369 56 Q HA 0.067 4.407 4.340 -0.000 0.000 0.206 56 Q C 1.895 177.839 176.000 -0.094 0.000 0.963 56 Q CA 1.074 56.810 55.803 -0.112 0.000 0.894 56 Q CB 0.024 28.599 28.738 -0.271 0.000 0.965 56 Q HN 0.440 nan 8.270 nan 0.000 0.475 57 Q N -0.782 118.972 119.800 -0.077 0.000 2.356 57 Q HA 0.093 4.433 4.340 -0.000 0.000 0.205 57 Q C -0.063 175.922 176.000 -0.025 0.000 0.901 57 Q CA 0.321 56.045 55.803 -0.131 0.000 0.938 57 Q CB 0.656 29.295 28.738 -0.166 0.000 1.081 57 Q HN 0.206 nan 8.270 nan 0.000 0.517 58 T N 2.074 116.672 114.554 0.074 0.000 2.853 58 T HA 0.177 4.527 4.350 -0.000 0.000 0.298 58 T C 0.065 174.850 174.700 0.141 0.000 0.978 58 T CA -0.042 62.114 62.100 0.094 0.000 1.152 58 T CB 0.352 69.300 68.868 0.133 0.000 0.914 58 T HN -0.054 nan 8.240 nan 0.000 0.539 59 L N 4.237 125.485 121.223 0.043 0.000 2.289 59 L HA 0.543 4.883 4.340 -0.000 0.000 0.285 59 L C -0.342 176.533 176.870 0.008 0.000 1.049 59 L CA -0.060 54.815 54.840 0.059 0.000 0.804 59 L CB 0.432 42.433 42.059 -0.096 0.000 1.195 59 L HN 0.521 nan 8.230 nan 0.000 0.428 60 F N 0.444 120.416 119.950 0.038 0.000 2.538 60 F HA 0.444 4.971 4.527 -0.000 0.000 0.325 60 F C 0.506 176.079 175.800 -0.378 0.000 1.066 60 F CA -0.906 57.074 58.000 -0.033 0.000 0.946 60 F CB 1.311 40.436 39.000 0.207 0.000 1.199 60 F HN 0.397 nan 8.300 nan 0.000 0.473 61 E N 2.513 122.211 120.200 -0.836 0.000 2.223 61 E HA 0.186 4.536 4.350 -0.000 0.000 0.282 61 E C 0.448 176.966 176.600 -0.137 0.000 1.046 61 E CA -0.074 56.001 56.400 -0.542 0.000 0.857 61 E CB 0.974 30.228 29.700 -0.742 0.000 1.055 61 E HN 0.614 nan 8.360 nan 0.000 0.409 62 L N 2.778 124.000 121.223 -0.002 0.000 2.418 62 L HA 0.051 4.391 4.340 -0.000 0.000 0.218 62 L C 1.407 178.378 176.870 0.168 0.000 1.125 62 L CA 0.575 55.486 54.840 0.119 0.000 0.835 62 L CB -0.757 41.377 42.059 0.124 0.000 0.953 62 L HN 0.903 nan 8.230 nan 0.000 0.454 63 G N 0.478 109.376 108.800 0.165 0.000 2.574 63 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.286 63 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.286 63 G C 0.790 175.841 174.900 0.252 0.000 1.212 63 G CA 0.317 45.545 45.100 0.214 0.000 0.979 63 G HN 0.232 nan 8.290 nan 0.000 0.557 64 S N -0.141 115.703 115.700 0.240 0.000 2.537 64 S HA 0.022 4.492 4.470 -0.000 0.000 0.240 64 S C 2.218 176.956 174.600 0.230 0.000 0.981 64 S CA 1.356 59.716 58.200 0.267 0.000 0.948 64 S CB -0.005 63.379 63.200 0.306 0.000 0.759 64 S HN 0.817 nan 8.310 nan 0.000 0.531 65 V N 1.695 121.732 119.914 0.205 0.000 2.970 65 V HA -0.091 4.029 4.120 -0.000 0.000 0.260 65 V C 2.109 178.323 176.094 0.201 0.000 1.100 65 V CA 1.299 63.701 62.300 0.170 0.000 1.122 65 V CB -0.728 31.220 31.823 0.208 0.000 0.721 65 V HN 0.460 nan 8.190 nan 0.000 0.483 66 S N -0.138 115.710 115.700 0.247 0.000 2.419 66 S HA -0.202 4.268 4.470 -0.000 0.000 0.233 66 S C 1.899 176.669 174.600 0.283 0.000 1.016 66 S CA 1.125 59.508 58.200 0.304 0.000 0.974 66 S CB -0.244 63.069 63.200 0.189 0.000 0.786 66 S HN 0.627 nan 8.310 nan 0.000 0.492 67 K N 1.012 121.527 120.400 0.193 0.000 2.280 67 K HA -0.102 4.218 4.320 -0.000 0.000 0.202 67 K C 2.410 179.039 176.600 0.048 0.000 1.047 67 K CA 1.587 57.965 56.287 0.152 0.000 0.942 67 K CB -0.472 32.138 32.500 0.182 0.000 0.739 67 K HN 0.616 nan 8.250 nan 0.000 0.457 68 T N -1.316 113.165 114.554 -0.121 0.000 2.867 68 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 68 T C 1.719 176.399 174.700 -0.032 0.000 1.057 68 T CA 0.785 62.620 62.100 -0.441 0.000 1.136 68 T CB -0.328 67.845 68.868 -1.159 0.000 0.874 68 T HN 0.023 nan 8.240 nan 0.000 0.466 69 F N 2.063 122.065 119.950 0.086 0.000 2.206 69 F HA 0.081 4.608 4.527 -0.000 0.000 0.298 69 F C 2.976 178.833 175.800 0.094 0.000 1.090 69 F CA 1.178 59.200 58.000 0.037 0.000 1.323 69 F CB -1.001 37.897 39.000 -0.169 0.000 1.028 69 F HN 0.125 nan 8.300 nan 0.000 0.492 70 T N -0.595 114.150 114.554 0.319 0.000 2.788 70 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 70 T C 2.363 177.247 174.700 0.307 0.000 1.044 70 T CA 1.362 63.664 62.100 0.336 0.000 1.139 70 T CB -0.946 68.129 68.868 0.345 0.000 0.867 70 T HN 0.434 nan 8.240 nan 0.000 0.454 71 G N 0.972 109.912 108.800 0.235 0.000 2.418 71 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 71 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 71 G C 1.680 176.727 174.900 0.246 0.000 1.158 71 G CA 0.775 46.002 45.100 0.211 0.000 0.771 71 G HN 0.436 nan 8.290 nan 0.000 0.545 72 V N 0.607 120.679 119.914 0.263 0.000 2.427 72 V HA -0.086 4.034 4.120 -0.000 0.000 0.248 72 V C 2.648 178.857 176.094 0.192 0.000 1.051 72 V CA 1.445 63.908 62.300 0.271 0.000 1.048 72 V CB -0.299 31.773 31.823 0.415 0.000 0.666 72 V HN 0.339 nan 8.190 nan 0.000 0.456 73 L N 1.414 122.726 121.223 0.149 0.000 2.046 73 L HA -0.001 4.339 4.340 -0.000 0.000 0.208 73 L C 2.321 179.212 176.870 0.035 0.000 1.077 73 L CA 2.399 57.253 54.840 0.023 0.000 0.747 73 L CB -1.259 40.736 42.059 -0.108 0.000 0.896 73 L HN 0.260 nan 8.230 nan 0.000 0.432 74 G N -1.135 107.745 108.800 0.133 0.000 2.418 74 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 74 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 74 G C 1.523 176.525 174.900 0.170 0.000 1.158 74 G CA 0.535 45.730 45.100 0.159 0.000 0.771 74 G HN 0.585 nan 8.290 nan 0.000 0.545 75 G N 0.614 109.524 108.800 0.184 0.000 2.422 75 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 75 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 75 G C 1.447 176.403 174.900 0.094 0.000 1.146 75 G CA 1.370 46.558 45.100 0.147 0.000 0.769 75 G HN 0.508 nan 8.290 nan 0.000 0.547 76 D N 0.467 120.911 120.400 0.073 0.000 2.144 76 D HA 0.066 4.706 4.640 -0.000 0.000 0.200 76 D C 2.631 178.939 176.300 0.013 0.000 0.978 76 D CA 1.341 55.363 54.000 0.036 0.000 0.833 76 D CB -0.242 40.569 40.800 0.018 0.000 0.961 76 D HN 0.238 nan 8.370 nan 0.000 0.470 77 A N -0.050 122.769 122.820 -0.002 0.000 1.969 77 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 77 A C 2.290 179.876 177.584 0.003 0.000 1.169 77 A CA 0.841 52.863 52.037 -0.025 0.000 0.635 77 A CB -0.655 18.298 19.000 -0.077 0.000 0.810 77 A HN 0.375 nan 8.150 nan 0.000 0.445 78 I N -0.255 120.334 120.570 0.032 0.000 2.202 78 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 78 I C 2.941 179.084 176.117 0.043 0.000 1.091 78 I CA 1.043 62.373 61.300 0.050 0.000 1.368 78 I CB -0.338 37.711 38.000 0.081 0.000 1.058 78 I HN 0.333 nan 8.210 nan 0.000 0.410 79 A N 0.800 123.645 122.820 0.041 0.000 1.972 79 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 79 A C 2.299 179.895 177.584 0.020 0.000 1.169 79 A CA 1.394 53.450 52.037 0.031 0.000 0.635 79 A CB -0.551 18.467 19.000 0.030 0.000 0.810 79 A HN 0.346 nan 8.150 nan 0.000 0.446 80 R N -1.372 119.137 120.500 0.014 0.000 2.323 80 R HA 0.147 4.487 4.340 -0.000 0.000 0.198 80 R C 1.286 177.594 176.300 0.013 0.000 0.988 80 R CA 0.512 56.616 56.100 0.007 0.000 1.041 80 R CB -0.204 30.093 30.300 -0.005 0.000 0.926 80 R HN 0.691 nan 8.270 nan 0.000 0.476 81 G N 1.259 110.073 108.800 0.023 0.000 2.153 81 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.252 81 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.252 81 G C 0.502 175.427 174.900 0.042 0.000 0.994 81 G CA 0.600 45.720 45.100 0.033 0.000 0.698 81 G HN 0.470 nan 8.290 nan 0.000 0.521 82 E N -0.643 119.578 120.200 0.035 0.000 2.170 82 E HA 0.247 4.597 4.350 -0.000 0.000 0.191 82 E C 1.526 178.186 176.600 0.101 0.000 0.981 82 E CA 1.126 57.554 56.400 0.047 0.000 0.830 82 E CB 0.226 29.932 29.700 0.010 0.000 0.775 82 E HN 0.916 nan 8.360 nan 0.000 0.470 83 I N -2.685 117.926 120.570 0.069 0.000 3.191 83 I HA 0.492 4.662 4.170 -0.000 0.000 0.313 83 I C -1.419 174.758 176.117 0.099 0.000 1.193 83 I CA -1.288 60.066 61.300 0.090 0.000 0.968 83 I CB 2.331 40.218 38.000 -0.189 0.000 1.262 83 I HN -0.355 nan 8.210 nan 0.000 0.456 84 K N 2.654 123.145 120.400 0.151 0.000 2.427 84 K HA 0.490 4.809 4.320 -0.000 0.000 0.252 84 K C 0.043 176.714 176.600 0.118 0.000 0.931 84 K CA -0.759 55.604 56.287 0.127 0.000 0.793 84 K CB 2.915 35.497 32.500 0.136 0.000 1.211 84 K HN 0.624 nan 8.250 nan 0.000 0.426 85 L N 1.017 122.292 121.223 0.086 0.000 2.275 85 L HA -0.167 4.173 4.340 -0.000 0.000 0.215 85 L C 2.010 178.908 176.870 0.046 0.000 1.119 85 L CA 1.309 56.180 54.840 0.053 0.000 0.790 85 L CB -0.328 41.718 42.059 -0.022 0.000 0.919 85 L HN 0.694 nan 8.230 nan 0.000 0.443 86 S N -2.653 113.088 115.700 0.068 0.000 2.527 86 S HA -0.002 4.467 4.470 -0.000 0.000 0.222 86 S C 0.589 175.256 174.600 0.112 0.000 0.985 86 S CA -0.222 58.018 58.200 0.066 0.000 0.921 86 S CB -0.318 62.920 63.200 0.062 0.000 0.772 86 S HN 0.223 nan 8.310 nan 0.000 0.529 87 D N 3.783 124.285 120.400 0.171 0.000 2.382 87 D HA 0.361 5.001 4.640 -0.000 0.000 0.245 87 D C -2.586 173.875 176.300 0.268 0.000 1.120 87 D CA -1.681 52.460 54.000 0.235 0.000 0.890 87 D CB 0.633 41.666 40.800 0.389 0.000 1.201 87 D HN 0.144 nan 8.370 nan 0.000 0.433 88 P HA 0.036 nan 4.420 nan 0.000 0.269 88 P C 0.721 178.201 177.300 0.299 0.000 1.209 88 P CA -0.019 63.220 63.100 0.231 0.000 0.776 88 P CB 0.569 32.364 31.700 0.160 0.000 0.876 89 T N 0.368 115.109 114.554 0.313 0.000 2.833 89 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 89 T C 1.537 176.383 174.700 0.242 0.000 1.054 89 T CA 1.843 64.124 62.100 0.302 0.000 1.135 89 T CB -0.820 68.219 68.868 0.285 0.000 0.869 89 T HN 0.472 nan 8.240 nan 0.000 0.466 90 T N 1.508 116.157 114.554 0.158 0.000 2.929 90 T HA -0.052 4.298 4.350 -0.000 0.000 0.271 90 T C 1.851 176.577 174.700 0.044 0.000 1.085 90 T CA 0.891 63.032 62.100 0.069 0.000 1.125 90 T CB -0.124 68.770 68.868 0.044 0.000 0.874 90 T HN 0.430 nan 8.240 nan 0.000 0.494 91 K N 0.316 120.713 120.400 -0.005 0.000 2.147 91 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 91 K C 0.955 177.314 176.600 -0.402 0.000 1.049 91 K CA 1.352 57.477 56.287 -0.269 0.000 0.936 91 K CB -0.070 32.135 32.500 -0.492 0.000 0.722 91 K HN 0.455 nan 8.250 nan 0.000 0.446 92 Y N -2.530 117.805 120.300 0.060 0.000 2.467 92 Y HA 0.140 4.690 4.550 -0.000 0.000 0.250 92 Y C 0.067 176.021 175.900 0.090 0.000 1.155 92 Y CA -0.651 57.470 58.100 0.036 0.000 1.249 92 Y CB 0.533 38.984 38.460 -0.015 0.000 1.146 92 Y HN 0.127 nan 8.280 nan 0.000 0.524 93 W N 2.125 123.428 121.300 0.004 0.000 1.851 93 W HA 0.407 5.067 4.660 -0.000 0.000 0.303 93 W C -2.550 173.922 176.519 -0.080 0.000 0.969 93 W CA -3.605 53.703 57.345 -0.062 0.000 1.537 93 W CB 0.890 30.268 29.460 -0.137 0.000 1.682 93 W HN -0.090 nan 8.180 nan 0.000 0.367 94 P HA -0.255 nan 4.420 nan 0.000 0.218 94 P C 1.245 178.514 177.300 -0.052 0.000 1.152 94 P CA 2.294 65.415 63.100 0.036 0.000 0.857 94 P CB 0.353 32.080 31.700 0.045 0.000 0.787 95 E N -1.284 118.870 120.200 -0.077 0.000 2.347 95 E HA -0.087 4.263 4.350 -0.000 0.000 0.196 95 E C 0.531 176.854 176.600 -0.461 0.000 1.008 95 E CA 0.095 56.367 56.400 -0.213 0.000 0.852 95 E CB -0.340 29.293 29.700 -0.111 0.000 0.783 95 E HN 0.146 nan 8.360 nan 0.000 0.505 96 L N 2.049 122.832 121.223 -0.732 0.000 2.395 96 L HA 0.031 4.371 4.340 -0.000 0.000 0.268 96 L C 1.074 177.709 176.870 -0.392 0.000 1.223 96 L CA 0.477 54.822 54.840 -0.825 0.000 1.093 96 L CB 0.030 41.368 42.059 -1.202 0.000 1.349 96 L HN -0.084 nan 8.230 nan 0.000 0.427 97 T N -0.157 114.259 114.554 -0.230 0.000 3.044 97 T HA 0.336 4.686 4.350 -0.000 0.000 0.250 97 T C 0.974 175.688 174.700 0.023 0.000 1.081 97 T CA 0.224 62.278 62.100 -0.075 0.000 1.040 97 T CB -0.073 68.759 68.868 -0.061 0.000 0.962 97 T HN 0.571 nan 8.240 nan 0.000 0.506 98 A N 2.884 125.743 122.820 0.064 0.000 2.587 98 A HA 0.172 4.492 4.320 -0.000 0.000 0.235 98 A C 1.675 179.383 177.584 0.206 0.000 1.044 98 A CA 0.316 52.449 52.037 0.161 0.000 0.754 98 A CB 0.091 19.252 19.000 0.268 0.000 0.968 98 A HN 0.714 nan 8.150 nan 0.000 0.509 99 K N 1.945 122.408 120.400 0.105 0.000 2.211 99 K HA -0.248 4.072 4.320 -0.000 0.000 0.204 99 K C 1.484 178.117 176.600 0.055 0.000 1.047 99 K CA 1.598 57.929 56.287 0.073 0.000 0.935 99 K CB -0.125 32.389 32.500 0.023 0.000 0.728 99 K HN 0.832 nan 8.250 nan 0.000 0.452 100 Q N 0.387 120.187 119.800 -0.001 0.000 2.364 100 Q HA -0.163 4.177 4.340 -0.000 0.000 0.209 100 Q C 0.937 176.833 176.000 -0.173 0.000 0.977 100 Q CA 1.219 56.926 55.803 -0.160 0.000 0.885 100 Q CB -0.482 28.042 28.738 -0.356 0.000 0.941 100 Q HN 0.603 nan 8.270 nan 0.000 0.464 101 W N 1.713 123.062 121.300 0.081 0.000 2.905 101 W HA 0.190 4.850 4.660 -0.000 0.000 0.251 101 W C 0.590 177.171 176.519 0.103 0.000 1.305 101 W CA -0.571 56.847 57.345 0.123 0.000 1.465 101 W CB 0.073 29.588 29.460 0.092 0.000 1.122 101 W HN 0.008 nan 8.180 nan 0.000 0.659 102 N N 0.966 119.795 118.700 0.215 0.000 2.414 102 N HA 0.095 4.835 4.740 -0.000 0.000 0.268 102 N C 1.057 176.656 175.510 0.148 0.000 1.286 102 N CA 1.764 54.910 53.050 0.160 0.000 0.896 102 N CB 0.582 39.129 38.487 0.100 0.000 1.093 102 N HN 0.331 nan 8.380 nan 0.000 0.480 103 G N 2.898 111.810 108.800 0.187 0.000 2.195 103 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.224 103 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.224 103 G C 0.185 175.254 174.900 0.282 0.000 0.990 103 G CA -0.452 44.766 45.100 0.197 0.000 0.639 103 G HN 0.567 nan 8.290 nan 0.000 0.514 104 I N 3.066 123.826 120.570 0.317 0.000 2.304 104 I HA 0.399 4.569 4.170 -0.000 0.000 0.291 104 I C 1.175 177.588 176.117 0.493 0.000 1.018 104 I CA 0.068 61.630 61.300 0.436 0.000 1.260 104 I CB 1.204 39.420 38.000 0.360 0.000 1.390 104 I HN 0.305 nan 8.210 nan 0.000 0.475 105 T N 3.049 117.927 114.554 0.540 0.000 2.910 105 T HA 0.448 4.798 4.350 -0.000 0.000 0.279 105 T C 1.238 176.065 174.700 0.211 0.000 0.989 105 T CA -0.842 61.411 62.100 0.255 0.000 0.968 105 T CB 1.356 70.254 68.868 0.049 0.000 1.135 105 T HN 0.410 nan 8.240 nan 0.000 0.562 106 L N 0.200 121.526 121.223 0.173 0.000 2.131 106 L HA -0.001 4.339 4.340 -0.000 0.000 0.210 106 L C 2.559 179.450 176.870 0.035 0.000 1.092 106 L CA 0.874 55.833 54.840 0.199 0.000 0.759 106 L CB -0.796 41.392 42.059 0.214 0.000 0.903 106 L HN 0.593 nan 8.230 nan 0.000 0.435 107 L N -0.308 120.867 121.223 -0.081 0.000 2.042 107 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 107 L C 2.388 179.203 176.870 -0.091 0.000 1.076 107 L CA 1.954 56.674 54.840 -0.200 0.000 0.749 107 L CB -0.660 41.284 42.059 -0.192 0.000 0.893 107 L HN 0.231 nan 8.230 nan 0.000 0.432 108 H N -1.013 118.119 119.070 0.102 0.000 2.321 108 H HA -0.148 4.408 4.556 -0.000 0.000 0.300 108 H C 2.257 177.578 175.328 -0.012 0.000 1.087 108 H CA 1.740 57.835 56.048 0.079 0.000 1.319 108 H CB -0.179 29.657 29.762 0.122 0.000 1.379 108 H HN 0.318 nan 8.280 nan 0.000 0.501 109 L N 0.136 121.443 121.223 0.140 0.000 2.017 109 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 109 L C 2.803 179.593 176.870 -0.133 0.000 1.073 109 L CA 0.898 55.786 54.840 0.081 0.000 0.745 109 L CB -0.489 41.687 42.059 0.196 0.000 0.894 109 L HN 0.355 nan 8.230 nan 0.000 0.432 110 A N -0.410 122.155 122.820 -0.425 0.000 2.015 110 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 110 A C 2.048 179.204 177.584 -0.714 0.000 1.163 110 A CA 1.933 53.458 52.037 -0.854 0.000 0.646 110 A CB -0.640 17.388 19.000 -1.620 0.000 0.806 110 A HN 0.527 nan 8.150 nan 0.000 0.448 111 T N -6.290 107.962 114.554 -0.502 0.000 3.129 111 T HA 0.322 4.672 4.350 -0.000 0.000 0.267 111 T C 0.293 174.760 174.700 -0.388 0.000 1.018 111 T CA 0.226 62.050 62.100 -0.460 0.000 0.903 111 T CB -0.828 68.059 68.868 0.033 0.000 1.067 111 T HN 0.677 nan 8.240 nan 0.000 0.549 112 Y N 0.934 121.209 120.300 -0.043 0.000 4.177 112 Y HA -0.278 4.272 4.550 -0.000 0.000 0.227 112 Y C 1.126 176.978 175.900 -0.080 0.000 1.154 112 Y CA 0.534 58.609 58.100 -0.043 0.000 1.887 112 Y CB -2.923 35.529 38.460 -0.015 0.000 1.594 112 Y HN 0.592 nan 8.280 nan 0.000 0.668 113 T N -4.081 110.454 114.554 -0.032 0.000 3.215 113 T HA 0.673 5.023 4.350 -0.000 0.000 0.271 113 T C 1.304 175.952 174.700 -0.087 0.000 1.012 113 T CA 0.124 62.124 62.100 -0.166 0.000 0.899 113 T CB 0.831 69.350 68.868 -0.582 0.000 1.089 113 T HN 0.470 nan 8.240 nan 0.000 0.552 114 A N 1.313 124.147 122.820 0.024 0.000 2.066 114 A HA 0.566 4.886 4.320 -0.000 0.000 0.218 114 A C 1.901 179.539 177.584 0.090 0.000 1.157 114 A CA 0.704 52.744 52.037 0.005 0.000 0.670 114 A CB -0.745 18.254 19.000 -0.002 0.000 0.804 114 A HN 1.466 nan 8.150 nan 0.000 0.453 115 G N -3.286 105.645 108.800 0.219 0.000 2.192 115 G HA2 0.418 4.378 3.960 -0.000 0.000 0.152 115 G HA3 0.418 4.378 3.960 -0.000 0.000 0.152 115 G C 0.955 176.169 174.900 0.524 0.000 1.057 115 G CA 0.363 45.689 45.100 0.378 0.000 0.748 115 G HN 1.953 nan 8.290 nan 0.000 0.488 116 G N -0.776 108.355 108.800 0.551 0.000 2.145 116 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.176 116 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.176 116 G C 0.425 175.569 174.900 0.407 0.000 1.013 116 G CA -0.028 45.352 45.100 0.467 0.000 0.689 116 G HN 1.193 nan 8.290 nan 0.000 0.506 117 L N 1.957 123.266 121.223 0.143 0.000 2.514 117 L HA 0.258 4.598 4.340 -0.000 0.000 0.280 117 L C -0.787 176.134 176.870 0.085 0.000 1.223 117 L CA -1.261 53.467 54.840 -0.187 0.000 0.864 117 L CB 0.362 42.246 42.059 -0.292 0.000 1.118 117 L HN 0.101 nan 8.230 nan 0.000 0.494 118 P HA -0.065 nan 4.420 nan 0.000 0.269 118 P C 0.538 177.906 177.300 0.115 0.000 1.209 118 P CA -0.429 62.773 63.100 0.169 0.000 0.776 118 P CB 1.050 32.890 31.700 0.234 0.000 0.876 119 L N 1.547 122.827 121.223 0.095 0.000 2.043 119 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 119 L C 0.852 177.751 176.870 0.048 0.000 1.075 119 L CA 2.056 56.933 54.840 0.062 0.000 0.752 119 L CB -0.605 41.505 42.059 0.086 0.000 0.891 119 L HN 0.392 nan 8.230 nan 0.000 0.432 120 Q N -0.706 119.123 119.800 0.049 0.000 2.377 120 Q HA 0.424 4.764 4.340 -0.000 0.000 0.271 120 Q C -0.879 175.104 176.000 -0.028 0.000 1.077 120 Q CA -0.842 54.975 55.803 0.023 0.000 0.820 120 Q CB 2.078 30.818 28.738 0.003 0.000 1.347 120 Q HN -0.084 nan 8.270 nan 0.000 0.444 121 V N 2.925 122.789 119.914 -0.084 0.000 2.583 121 V HA 0.187 4.307 4.120 -0.000 0.000 0.287 121 V C -1.988 173.912 176.094 -0.323 0.000 1.051 121 V CA -1.338 60.762 62.300 -0.333 0.000 1.010 121 V CB 0.724 32.385 31.823 -0.269 0.000 0.988 121 V HN 0.605 nan 8.190 nan 0.000 0.478 122 P HA -0.035 nan 4.420 nan 0.000 0.263 122 P C 0.578 177.771 177.300 -0.178 0.000 1.175 122 P CA 0.244 63.185 63.100 -0.264 0.000 0.761 122 P CB 0.432 31.961 31.700 -0.285 0.000 0.794 123 D N 2.308 122.653 120.400 -0.092 0.000 2.178 123 D HA -0.176 4.464 4.640 -0.000 0.000 0.201 123 D C 1.057 177.328 176.300 -0.048 0.000 0.980 123 D CA 1.490 55.460 54.000 -0.050 0.000 0.842 123 D CB 0.059 40.845 40.800 -0.022 0.000 0.948 123 D HN 0.329 nan 8.370 nan 0.000 0.472 124 E N -0.569 119.599 120.200 -0.053 0.000 2.338 124 E HA 0.023 4.373 4.350 -0.000 0.000 0.197 124 E C 0.306 176.880 176.600 -0.043 0.000 1.007 124 E CA 0.037 56.416 56.400 -0.035 0.000 0.849 124 E CB 0.223 29.910 29.700 -0.022 0.000 0.774 124 E HN 0.100 nan 8.360 nan 0.000 0.506 125 V N 1.407 121.268 119.914 -0.089 0.000 2.508 125 V HA 0.062 4.182 4.120 -0.000 0.000 0.281 125 V C 0.643 176.706 176.094 -0.052 0.000 1.041 125 V CA 0.411 62.658 62.300 -0.088 0.000 1.016 125 V CB 1.283 32.978 31.823 -0.213 0.000 0.984 125 V HN 0.134 nan 8.190 nan 0.000 0.478 126 K N 1.998 122.389 120.400 -0.015 0.000 2.757 126 K HA 0.172 4.492 4.320 -0.000 0.000 0.201 126 K C 0.842 177.447 176.600 0.009 0.000 1.495 126 K CA 0.319 56.603 56.287 -0.005 0.000 1.090 126 K CB 0.105 32.605 32.500 0.001 0.000 1.796 126 K HN 0.684 nan 8.250 nan 0.000 0.523 127 S N 0.703 116.417 115.700 0.023 0.000 2.624 127 S HA 0.067 4.537 4.470 -0.000 0.000 0.263 127 S C 1.345 175.982 174.600 0.061 0.000 1.287 127 S CA -0.026 58.194 58.200 0.033 0.000 0.990 127 S CB 1.372 64.593 63.200 0.036 0.000 0.950 127 S HN 0.277 nan 8.310 nan 0.000 0.561 128 S N 0.955 116.691 115.700 0.059 0.000 2.399 128 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 128 S C 1.812 176.512 174.600 0.167 0.000 1.022 128 S CA 1.258 59.515 58.200 0.096 0.000 0.983 128 S CB -1.133 62.102 63.200 0.058 0.000 0.803 128 S HN 0.641 nan 8.310 nan 0.000 0.480 129 S N 2.125 117.899 115.700 0.123 0.000 2.355 129 S HA -0.072 4.398 4.470 -0.000 0.000 0.222 129 S C 1.586 176.269 174.600 0.138 0.000 1.031 129 S CA 1.286 59.562 58.200 0.126 0.000 0.993 129 S CB -0.592 62.658 63.200 0.084 0.000 0.859 129 S HN 0.557 nan 8.310 nan 0.000 0.453 130 D N 1.249 121.719 120.400 0.116 0.000 2.097 130 D HA -0.058 4.582 4.640 -0.000 0.000 0.195 130 D C 1.877 178.283 176.300 0.177 0.000 0.989 130 D CA 0.593 54.661 54.000 0.112 0.000 0.827 130 D CB -0.445 40.393 40.800 0.063 0.000 0.966 130 D HN 0.140 nan 8.370 nan 0.000 0.456 131 L N 0.584 121.936 121.223 0.215 0.000 2.012 131 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 131 L C 2.236 179.427 176.870 0.534 0.000 1.073 131 L CA 1.194 56.248 54.840 0.357 0.000 0.748 131 L CB -0.936 41.334 42.059 0.351 0.000 0.891 131 L HN 0.062 nan 8.230 nan 0.000 0.431 132 L N -0.289 121.221 121.223 0.479 0.000 2.012 132 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 132 L C 2.751 179.709 176.870 0.146 0.000 1.073 132 L CA 2.103 57.123 54.840 0.300 0.000 0.748 132 L CB -0.715 41.474 42.059 0.217 0.000 0.891 132 L HN 0.331 nan 8.230 nan 0.000 0.431 133 R N -1.279 119.318 120.500 0.163 0.000 2.083 133 R HA -0.266 4.074 4.340 -0.000 0.000 0.237 133 R C 2.306 178.707 176.300 0.169 0.000 1.137 133 R CA 2.105 58.283 56.100 0.130 0.000 0.951 133 R CB -0.821 29.552 30.300 0.121 0.000 0.851 133 R HN 0.435 nan 8.270 nan 0.000 0.434 134 F N 0.387 120.365 119.950 0.045 0.000 2.069 134 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 134 F C 1.484 177.313 175.800 0.049 0.000 1.113 134 F CA 1.617 59.605 58.000 -0.020 0.000 1.214 134 F CB -0.716 38.178 39.000 -0.177 0.000 0.978 134 F HN 0.044 nan 8.300 nan 0.000 0.474 135 Y N 0.392 120.676 120.300 -0.027 0.000 2.293 135 Y HA -0.153 4.397 4.550 0.000 0.000 0.291 135 Y C 2.623 178.664 175.900 0.234 0.000 1.137 135 Y CA 1.436 59.541 58.100 0.009 0.000 1.202 135 Y CB -0.907 37.527 38.460 -0.043 0.000 0.990 135 Y HN 0.146 nan 8.280 nan 0.000 0.537 136 Q N -0.094 119.814 119.800 0.180 0.000 2.167 136 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 136 Q C 1.363 177.475 176.000 0.186 0.000 0.970 136 Q CA 0.999 56.895 55.803 0.155 0.000 0.855 136 Q CB -0.240 28.503 28.738 0.009 0.000 0.911 136 Q HN 0.513 nan 8.270 nan 0.000 0.438 137 N N -0.729 118.048 118.700 0.128 0.000 2.424 137 N HA -0.056 4.684 4.740 -0.000 0.000 0.178 137 N C 0.032 175.571 175.510 0.049 0.000 1.060 137 N CA -0.054 53.040 53.050 0.073 0.000 0.901 137 N CB 0.011 38.538 38.487 0.066 0.000 0.979 137 N HN 0.212 nan 8.380 nan 0.000 0.451 138 W N 3.254 124.473 121.300 -0.134 0.000 2.264 138 W HA 0.057 4.716 4.660 -0.000 0.000 0.331 138 W C -0.405 176.010 176.519 -0.174 0.000 1.364 138 W CA 0.175 57.394 57.345 -0.210 0.000 1.253 138 W CB 0.524 29.799 29.460 -0.308 0.000 1.215 138 W HN -0.099 nan 8.180 nan 0.000 0.561 139 Q N 7.322 126.480 119.800 -1.070 0.000 2.331 139 Q HA 0.334 4.674 4.340 -0.000 0.000 0.267 139 Q C -2.126 172.932 176.000 -1.571 0.000 1.006 139 Q CA -2.150 52.981 55.803 -1.120 0.000 0.818 139 Q CB 1.343 29.742 28.738 -0.565 0.000 1.276 139 Q HN 0.336 nan 8.270 nan 0.000 0.450 140 P HA 0.057 nan 4.420 nan 0.000 0.269 140 P C -0.155 176.752 177.300 -0.656 0.000 1.209 140 P CA 0.180 62.641 63.100 -1.064 0.000 0.776 140 P CB 0.798 32.057 31.700 -0.736 0.000 0.876 141 A N 2.072 124.510 122.820 -0.636 0.000 2.095 141 A HA 0.159 4.479 4.320 -0.000 0.000 0.212 141 A C -0.009 176.896 177.584 -1.131 0.000 1.162 141 A CA 0.663 52.081 52.037 -1.033 0.000 0.753 141 A CB -0.062 17.928 19.000 -1.684 0.000 0.840 141 A HN 0.523 nan 8.150 nan 0.000 0.468 142 W N -2.644 118.608 121.300 -0.079 0.000 3.042 142 W HA 0.638 5.298 4.660 -0.000 0.000 0.342 142 W C -0.053 176.411 176.519 -0.093 0.000 1.240 142 W CA -1.245 56.057 57.345 -0.073 0.000 1.166 142 W CB 0.967 30.398 29.460 -0.049 0.000 1.469 142 W HN 0.111 nan 8.180 nan 0.000 0.579 143 A N 2.121 125.033 122.820 0.152 0.000 2.366 143 A HA 0.596 4.916 4.320 -0.000 0.000 0.249 143 A C -2.283 175.308 177.584 0.011 0.000 1.084 143 A CA -0.864 51.198 52.037 0.040 0.000 0.794 143 A CB -0.646 18.376 19.000 0.037 0.000 1.034 143 A HN 0.140 nan 8.150 nan 0.000 0.491 144 P HA 0.297 nan 4.420 nan 0.000 0.269 144 P C 0.796 177.949 177.300 -0.245 0.000 1.209 144 P CA 1.626 64.545 63.100 -0.301 0.000 0.776 144 P CB 0.565 32.002 31.700 -0.438 0.000 0.876 145 G N 1.563 110.163 108.800 -0.334 0.000 2.198 145 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 145 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 145 G C 0.646 175.484 174.900 -0.103 0.000 1.025 145 G CA 0.769 45.822 45.100 -0.078 0.000 0.769 145 G HN 0.676 nan 8.290 nan 0.000 0.507 146 T N -5.252 109.203 114.554 -0.164 0.000 2.989 146 T HA 0.432 4.782 4.350 -0.000 0.000 0.250 146 T C 0.535 175.090 174.700 -0.242 0.000 0.981 146 T CA 0.702 62.730 62.100 -0.120 0.000 0.980 146 T CB 0.681 69.523 68.868 -0.045 0.000 1.133 146 T HN 0.267 nan 8.240 nan 0.000 0.489 147 Q N 0.992 120.602 119.800 -0.316 0.000 2.372 147 Q HA 0.490 4.830 4.340 -0.000 0.000 0.273 147 Q C -1.343 174.456 176.000 -0.335 0.000 1.078 147 Q CA -0.514 55.017 55.803 -0.454 0.000 0.806 147 Q CB 3.162 31.320 28.738 -0.968 0.000 1.332 147 Q HN 0.390 nan 8.270 nan 0.000 0.435 148 R N 2.237 122.571 120.500 -0.277 0.000 2.255 148 R HA 0.514 4.854 4.340 -0.000 0.000 0.326 148 R C -1.219 175.053 176.300 -0.048 0.000 0.986 148 R CA -0.568 55.456 56.100 -0.126 0.000 0.847 148 R CB 0.443 30.706 30.300 -0.062 0.000 1.111 148 R HN 0.432 nan 8.270 nan 0.000 0.452 149 L N 6.101 127.364 121.223 0.065 0.000 2.427 149 L HA 0.266 4.606 4.340 -0.000 0.000 0.264 149 L C -1.356 175.554 176.870 0.066 0.000 0.989 149 L CA -0.721 54.184 54.840 0.108 0.000 0.865 149 L CB 0.936 43.147 42.059 0.252 0.000 1.209 149 L HN 0.615 nan 8.230 nan 0.000 0.430 150 Y N 4.686 124.866 120.300 -0.200 0.000 2.881 150 Y HA 0.320 4.870 4.550 -0.000 0.000 0.335 150 Y C 0.125 175.842 175.900 -0.306 0.000 1.263 150 Y CA 1.068 58.836 58.100 -0.555 0.000 1.572 150 Y CB 0.387 38.593 38.460 -0.423 0.000 1.237 150 Y HN 0.830 nan 8.280 nan 0.000 0.568 151 A N 5.699 128.035 122.820 -0.806 0.000 2.513 151 A HA 0.283 4.603 4.320 -0.000 0.000 0.296 151 A C -0.141 177.308 177.584 -0.224 0.000 1.052 151 A CA -0.889 50.959 52.037 -0.315 0.000 0.714 151 A CB 0.923 19.910 19.000 -0.021 0.000 1.279 151 A HN 0.789 nan 8.150 nan 0.000 0.397 152 N N 1.032 119.665 118.700 -0.111 0.000 2.244 152 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 152 N C 1.969 177.540 175.510 0.103 0.000 1.016 152 N CA 1.850 54.917 53.050 0.028 0.000 0.866 152 N CB -0.020 38.547 38.487 0.132 0.000 0.980 152 N HN 0.840 nan 8.380 nan 0.000 0.430 153 S N -0.782 114.997 115.700 0.132 0.000 2.481 153 S HA 0.025 4.495 4.470 -0.000 0.000 0.231 153 S C 2.035 176.801 174.600 0.277 0.000 0.996 153 S CA 0.860 59.211 58.200 0.252 0.000 0.942 153 S CB 0.040 63.423 63.200 0.304 0.000 0.768 153 S HN 0.162 nan 8.310 nan 0.000 0.520 154 S N 1.271 117.081 115.700 0.183 0.000 2.339 154 S HA 0.239 4.709 4.470 -0.000 0.000 0.213 154 S C 1.638 176.324 174.600 0.143 0.000 1.033 154 S CA 0.530 58.829 58.200 0.165 0.000 0.950 154 S CB -0.549 62.768 63.200 0.195 0.000 0.893 154 S HN 0.574 nan 8.310 nan 0.000 0.492 155 I N 1.229 121.884 120.570 0.142 0.000 2.614 155 I HA 0.012 4.182 4.170 -0.000 0.000 0.258 155 I C 2.065 178.259 176.117 0.128 0.000 1.189 155 I CA 1.104 62.470 61.300 0.111 0.000 1.462 155 I CB -0.565 37.482 38.000 0.078 0.000 1.092 155 I HN 0.472 nan 8.210 nan 0.000 0.442 156 G N 1.033 109.880 108.800 0.079 0.000 2.418 156 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.217 156 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.217 156 G C 1.525 176.383 174.900 -0.070 0.000 1.158 156 G CA 0.860 45.945 45.100 -0.024 0.000 0.771 156 G HN 0.391 nan 8.290 nan 0.000 0.545 157 L N -0.299 120.928 121.223 0.007 0.000 2.093 157 L HA 0.184 4.524 4.340 -0.000 0.000 0.208 157 L C 2.405 179.215 176.870 -0.100 0.000 1.085 157 L CA 1.349 56.126 54.840 -0.105 0.000 0.755 157 L CB -0.686 41.254 42.059 -0.199 0.000 0.904 157 L HN 0.225 nan 8.230 nan 0.000 0.435 158 F N 0.463 120.341 119.950 -0.121 0.000 2.095 158 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 158 F C 2.182 177.909 175.800 -0.122 0.000 1.104 158 F CA 1.873 59.803 58.000 -0.116 0.000 1.232 158 F CB -1.052 37.892 39.000 -0.094 0.000 0.987 158 F HN 0.114 nan 8.300 nan 0.000 0.475 159 G N -0.254 108.427 108.800 -0.199 0.000 2.446 159 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 159 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 159 G C 1.837 176.574 174.900 -0.271 0.000 1.168 159 G CA 1.057 46.015 45.100 -0.236 0.000 0.771 159 G HN 0.677 nan 8.290 nan 0.000 0.551 160 A N 0.540 123.148 122.820 -0.353 0.000 1.902 160 A HA 0.068 4.388 4.320 -0.000 0.000 0.217 160 A C 2.446 179.849 177.584 -0.302 0.000 1.181 160 A CA 1.427 53.272 52.037 -0.320 0.000 0.623 160 A CB -0.397 18.382 19.000 -0.368 0.000 0.818 160 A HN 0.365 nan 8.150 nan 0.000 0.443 161 L N -1.042 119.967 121.223 -0.356 0.000 2.156 161 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 161 L C 3.025 179.650 176.870 -0.408 0.000 1.095 161 L CA 0.772 55.411 54.840 -0.335 0.000 0.770 161 L CB -0.607 41.286 42.059 -0.277 0.000 0.914 161 L HN 0.419 nan 8.230 nan 0.000 0.439 162 A N 0.454 122.934 122.820 -0.567 0.000 1.978 162 A HA -0.160 4.159 4.320 -0.000 0.000 0.220 162 A C 2.135 179.525 177.584 -0.324 0.000 1.170 162 A CA 1.986 53.666 52.037 -0.595 0.000 0.636 162 A CB -0.750 17.739 19.000 -0.852 0.000 0.810 162 A HN 0.357 nan 8.150 nan 0.000 0.448 163 V N -4.075 115.709 119.914 -0.217 0.000 3.649 163 V HA 0.088 4.208 4.120 -0.000 0.000 0.275 163 V C 1.658 177.690 176.094 -0.103 0.000 1.281 163 V CA 0.776 62.994 62.300 -0.136 0.000 1.143 163 V CB -0.383 31.389 31.823 -0.086 0.000 0.892 163 V HN 0.219 nan 8.190 nan 0.000 0.441 164 K N 1.631 121.968 120.400 -0.105 0.000 2.009 164 K HA -0.056 4.264 4.320 -0.000 0.000 0.210 164 K C 0.260 176.853 176.600 -0.011 0.000 1.049 164 K CA 2.081 58.336 56.287 -0.054 0.000 0.929 164 K CB -1.930 30.557 32.500 -0.020 0.000 0.714 164 K HN 0.453 nan 8.250 nan 0.000 0.440 165 P HA -0.140 nan 4.420 nan 0.000 0.216 165 P C 1.467 178.766 177.300 -0.003 0.000 1.150 165 P CA 1.745 64.868 63.100 0.038 0.000 0.843 165 P CB -0.089 31.658 31.700 0.078 0.000 0.787 166 S N -1.827 113.855 115.700 -0.029 0.000 2.453 166 S HA 0.058 4.528 4.470 -0.000 0.000 0.231 166 S C 1.913 176.489 174.600 -0.041 0.000 1.005 166 S CA 1.004 59.179 58.200 -0.042 0.000 0.949 166 S CB -1.436 61.724 63.200 -0.067 0.000 0.774 166 S HN 0.307 nan 8.310 nan 0.000 0.510 167 G N 0.730 109.506 108.800 -0.040 0.000 2.212 167 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.266 167 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.266 167 G C 0.032 174.904 174.900 -0.047 0.000 0.978 167 G CA 0.544 45.621 45.100 -0.038 0.000 0.632 167 G HN 0.572 nan 8.290 nan 0.000 0.537 168 L N 1.553 122.740 121.223 -0.061 0.000 2.439 168 L HA 0.570 4.910 4.340 -0.000 0.000 0.261 168 L C 1.480 178.309 176.870 -0.068 0.000 1.153 168 L CA -0.176 54.622 54.840 -0.070 0.000 0.808 168 L CB 1.236 43.237 42.059 -0.095 0.000 1.126 168 L HN 0.401 nan 8.230 nan 0.000 0.460 169 S N 0.138 115.802 115.700 -0.061 0.000 2.603 169 S HA 0.096 4.566 4.470 -0.000 0.000 0.268 169 S C 0.831 175.409 174.600 -0.037 0.000 1.317 169 S CA -0.480 57.699 58.200 -0.034 0.000 1.012 169 S CB 0.625 63.811 63.200 -0.024 0.000 0.926 169 S HN 0.532 nan 8.310 nan 0.000 0.539 170 F N 1.343 121.208 119.950 -0.141 0.000 2.091 170 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 170 F C 2.509 178.205 175.800 -0.174 0.000 1.103 170 F CA 2.357 60.259 58.000 -0.165 0.000 1.228 170 F CB -0.468 38.433 39.000 -0.164 0.000 0.984 170 F HN 0.952 nan 8.300 nan 0.000 0.477 171 E N -0.505 119.662 120.200 -0.055 0.000 2.077 171 E HA -0.322 4.028 4.350 -0.000 0.000 0.193 171 E C 2.206 178.664 176.600 -0.236 0.000 0.989 171 E CA 1.389 57.701 56.400 -0.146 0.000 0.800 171 E CB -0.265 29.435 29.700 0.000 0.000 0.746 171 E HN 0.457 nan 8.360 nan 0.000 0.452 172 Q N 0.269 119.968 119.800 -0.169 0.000 2.119 172 Q HA -0.065 4.275 4.340 -0.000 0.000 0.201 172 Q C 1.810 177.665 176.000 -0.242 0.000 0.972 172 Q CA 1.764 57.469 55.803 -0.164 0.000 0.847 172 Q CB -0.335 28.342 28.738 -0.102 0.000 0.903 172 Q HN 0.366 nan 8.270 nan 0.000 0.433 173 A N -0.107 122.536 122.820 -0.296 0.000 1.873 173 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 173 A C 2.064 179.375 177.584 -0.454 0.000 1.186 173 A CA 1.781 53.620 52.037 -0.330 0.000 0.616 173 A CB -0.645 18.153 19.000 -0.336 0.000 0.823 173 A HN 0.506 nan 8.150 nan 0.000 0.442 174 M N -0.184 119.009 119.600 -0.679 0.000 2.086 174 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 174 M C 2.155 177.892 176.300 -0.939 0.000 1.067 174 M CA 1.984 56.745 55.300 -0.898 0.000 1.116 174 M CB -0.618 31.279 32.600 -1.171 0.000 1.348 174 M HN 0.532 nan 8.290 nan 0.000 0.407 175 Q N -1.004 118.375 119.800 -0.701 0.000 2.002 175 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 175 Q C 1.975 177.811 176.000 -0.273 0.000 0.988 175 Q CA 2.607 58.149 55.803 -0.435 0.000 0.843 175 Q CB -0.531 28.057 28.738 -0.249 0.000 0.908 175 Q HN 0.778 nan 8.270 nan 0.000 0.420 176 T N -1.866 112.548 114.554 -0.233 0.000 2.985 176 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 176 T C 1.665 176.282 174.700 -0.138 0.000 1.076 176 T CA 0.670 62.678 62.100 -0.154 0.000 1.135 176 T CB 0.007 68.800 68.868 -0.125 0.000 0.890 176 T HN 0.147 nan 8.240 nan 0.000 0.480 177 R N -0.069 120.321 120.500 -0.184 0.000 2.237 177 R HA 0.345 4.684 4.340 -0.000 0.000 0.195 177 R C 1.677 177.920 176.300 -0.095 0.000 0.956 177 R CA 0.341 56.362 56.100 -0.132 0.000 1.029 177 R CB 0.330 30.542 30.300 -0.146 0.000 0.972 177 R HN 0.314 nan 8.270 nan 0.000 0.493 178 V N -0.938 118.883 119.914 -0.156 0.000 3.054 178 V HA 0.020 4.140 4.120 -0.000 0.000 0.227 178 V C 1.469 177.635 176.094 0.120 0.000 1.252 178 V CA 0.461 62.750 62.300 -0.020 0.000 1.279 178 V CB -0.359 31.422 31.823 -0.069 0.000 1.118 178 V HN -0.027 nan 8.190 nan 0.000 0.504 179 F N 1.545 121.423 119.950 -0.120 0.000 2.069 179 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 179 F C 2.632 178.347 175.800 -0.141 0.000 1.113 179 F CA 1.632 59.526 58.000 -0.178 0.000 1.214 179 F CB -1.271 37.515 39.000 -0.356 0.000 0.978 179 F HN 0.191 nan 8.300 nan 0.000 0.474 180 Q N -0.260 119.568 119.800 0.046 0.000 2.020 180 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 180 Q C -0.293 175.709 176.000 0.003 0.000 0.982 180 Q CA 1.903 57.696 55.803 -0.017 0.000 0.838 180 Q CB -1.489 27.216 28.738 -0.055 0.000 0.899 180 Q HN 0.259 nan 8.270 nan 0.000 0.423 181 P HA -0.157 nan 4.420 nan 0.000 0.218 181 P C 0.591 177.919 177.300 0.047 0.000 1.148 181 P CA 1.202 64.315 63.100 0.023 0.000 0.822 181 P CB 0.062 31.776 31.700 0.025 0.000 0.784 182 L N -1.458 119.820 121.223 0.090 0.000 2.591 182 L HA 0.136 4.476 4.340 -0.000 0.000 0.228 182 L C 0.394 177.313 176.870 0.081 0.000 1.133 182 L CA 0.132 55.043 54.840 0.117 0.000 0.880 182 L CB -0.675 41.526 42.059 0.236 0.000 1.033 182 L HN -0.039 nan 8.230 nan 0.000 0.450 183 K N 0.827 121.249 120.400 0.036 0.000 3.096 183 K HA -0.169 4.151 4.320 -0.000 0.000 0.266 183 K C -0.252 176.333 176.600 -0.025 0.000 1.043 183 K CA 0.377 56.661 56.287 -0.005 0.000 0.758 183 K CB -1.749 30.753 32.500 0.003 0.000 1.260 183 K HN 0.330 nan 8.250 nan 0.000 0.481 184 L N 1.431 122.625 121.223 -0.048 0.000 2.422 184 L HA 0.124 4.464 4.340 -0.000 0.000 0.256 184 L C 0.970 177.659 176.870 -0.302 0.000 1.202 184 L CA -0.505 54.251 54.840 -0.140 0.000 1.119 184 L CB 0.084 42.027 42.059 -0.193 0.000 1.383 184 L HN 0.172 nan 8.230 nan 0.000 0.411 185 N N 0.274 118.810 118.700 -0.273 0.000 2.521 185 N HA -0.052 4.688 4.740 -0.000 0.000 0.188 185 N C 0.635 175.735 175.510 -0.682 0.000 1.146 185 N CA 0.720 53.498 53.050 -0.452 0.000 0.893 185 N CB 0.163 38.401 38.487 -0.415 0.000 0.975 185 N HN 0.514 nan 8.380 nan 0.000 0.451 186 H N -0.788 118.160 119.070 -0.204 0.000 2.651 186 H HA 0.259 4.815 4.556 -0.000 0.000 0.241 186 H C -0.351 174.841 175.328 -0.227 0.000 1.225 186 H CA -0.113 55.880 56.048 -0.090 0.000 0.942 186 H CB 0.397 30.146 29.762 -0.022 0.000 1.996 186 H HN -0.123 nan 8.280 nan 0.000 0.600 187 T N 0.851 115.059 114.554 -0.578 0.000 2.812 187 T HA 0.355 4.705 4.350 -0.000 0.000 0.282 187 T C -0.675 173.351 174.700 -1.124 0.000 0.990 187 T CA -0.462 61.126 62.100 -0.853 0.000 0.960 187 T CB 1.403 69.474 68.868 -1.328 0.000 0.948 187 T HN 0.218 nan 8.240 nan 0.000 0.438 188 W N 1.538 122.527 121.300 -0.517 0.000 3.083 188 W HA 0.574 5.234 4.660 0.000 0.000 0.333 188 W C 0.588 176.984 176.519 -0.206 0.000 1.217 188 W CA -0.833 56.345 57.345 -0.278 0.000 1.170 188 W CB 1.151 30.463 29.460 -0.247 0.000 1.437 188 W HN 0.472 nan 8.180 nan 0.000 0.557 189 I N 1.005 121.698 120.570 0.205 0.000 2.927 189 I HA 0.040 4.210 4.170 -0.000 0.000 0.268 189 I C -0.126 176.017 176.117 0.043 0.000 1.153 189 I CA 0.610 61.963 61.300 0.088 0.000 1.459 189 I CB 0.007 38.072 38.000 0.109 0.000 1.149 189 I HN 0.342 nan 8.210 nan 0.000 0.443 190 N N 0.445 119.208 118.700 0.105 0.000 2.483 190 N HA 0.278 5.018 4.740 -0.000 0.000 0.267 190 N C -0.851 174.573 175.510 -0.143 0.000 0.998 190 N CA -0.299 52.740 53.050 -0.018 0.000 0.918 190 N CB 2.260 40.745 38.487 -0.004 0.000 1.215 190 N HN -0.195 nan 8.380 nan 0.000 0.500 191 V N 4.242 123.984 119.914 -0.287 0.000 2.450 191 V HA 0.140 4.260 4.120 -0.000 0.000 0.281 191 V C -1.388 174.392 176.094 -0.524 0.000 1.019 191 V CA -0.927 61.069 62.300 -0.507 0.000 1.062 191 V CB -0.271 31.212 31.823 -0.566 0.000 0.979 191 V HN 0.594 nan 8.190 nan 0.000 0.477 192 P HA 0.264 nan 4.420 nan 0.000 0.274 192 P C -2.321 174.759 177.300 -0.367 0.000 1.246 192 P CA -1.810 60.923 63.100 -0.611 0.000 0.795 192 P CB 0.703 31.869 31.700 -0.890 0.000 1.006 193 P HA -0.210 nan 4.420 nan 0.000 0.216 193 P C 1.528 178.756 177.300 -0.120 0.000 1.154 193 P CA 2.357 65.374 63.100 -0.138 0.000 0.865 193 P CB -0.481 31.158 31.700 -0.100 0.000 0.789 194 A N -0.351 122.385 122.820 -0.140 0.000 2.019 194 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 194 A C 1.990 179.529 177.584 -0.076 0.000 1.164 194 A CA 1.511 53.495 52.037 -0.088 0.000 0.644 194 A CB -0.776 18.180 19.000 -0.073 0.000 0.805 194 A HN 0.137 nan 8.150 nan 0.000 0.449 195 E N -0.582 119.533 120.200 -0.142 0.000 2.472 195 E HA -0.002 4.348 4.350 -0.000 0.000 0.196 195 E C 1.354 177.917 176.600 -0.062 0.000 1.033 195 E CA 0.112 56.452 56.400 -0.101 0.000 0.886 195 E CB -0.022 29.570 29.700 -0.181 0.000 0.944 195 E HN 0.747 nan 8.360 nan 0.000 0.492 196 E N 1.376 121.543 120.200 -0.054 0.000 2.171 196 E HA -0.228 4.122 4.350 -0.000 0.000 0.197 196 E C 1.963 178.596 176.600 0.055 0.000 0.997 196 E CA 1.435 57.849 56.400 0.023 0.000 0.810 196 E CB -0.119 29.587 29.700 0.011 0.000 0.738 196 E HN 0.249 nan 8.360 nan 0.000 0.467 197 K N 0.279 120.701 120.400 0.036 0.000 2.283 197 K HA -0.087 4.233 4.320 -0.000 0.000 0.202 197 K C 1.078 177.712 176.600 0.057 0.000 1.048 197 K CA 1.572 57.888 56.287 0.050 0.000 0.948 197 K CB -0.070 32.451 32.500 0.035 0.000 0.742 197 K HN 0.070 nan 8.250 nan 0.000 0.458 198 N N -0.437 118.292 118.700 0.049 0.000 2.299 198 N HA -0.010 4.730 4.740 -0.000 0.000 0.187 198 N C -0.707 174.851 175.510 0.080 0.000 1.099 198 N CA -0.380 52.698 53.050 0.046 0.000 0.867 198 N CB 0.243 38.738 38.487 0.014 0.000 0.974 198 N HN 0.184 nan 8.380 nan 0.000 0.477 199 Y N 2.503 122.744 120.300 -0.099 0.000 2.584 199 Y HA 0.270 4.820 4.550 -0.000 0.000 0.351 199 Y C 0.344 176.166 175.900 -0.131 0.000 1.030 199 Y CA -1.326 56.677 58.100 -0.162 0.000 1.332 199 Y CB 0.155 38.461 38.460 -0.257 0.000 1.148 199 Y HN -0.001 nan 8.280 nan 0.000 0.528 200 A N 6.189 129.095 122.820 0.144 0.000 2.425 200 A HA 0.044 4.364 4.320 -0.000 0.000 0.242 200 A C -1.135 176.484 177.584 0.059 0.000 1.077 200 A CA -0.230 51.839 52.037 0.054 0.000 0.781 200 A CB 0.315 19.245 19.000 -0.115 0.000 1.020 200 A HN 0.928 nan 8.150 nan 0.000 0.494 201 W N 0.272 121.579 121.300 0.011 0.000 2.381 201 W HA 0.507 5.167 4.660 -0.000 0.000 0.329 201 W C 0.792 177.036 176.519 -0.459 0.000 1.157 201 W CA 0.406 57.576 57.345 -0.292 0.000 1.240 201 W CB 1.430 30.566 29.460 -0.540 0.000 1.199 201 W HN 0.927 nan 8.180 nan 0.000 0.579 202 G N 1.344 109.972 108.800 -0.286 0.000 2.451 202 G HA2 0.541 4.500 3.960 -0.000 0.000 0.303 202 G HA3 0.541 4.500 3.960 -0.000 0.000 0.303 202 G C -2.155 172.385 174.900 -0.600 0.000 1.166 202 G CA -0.459 44.210 45.100 -0.719 0.000 0.884 202 G HN 0.414 nan 8.290 nan 0.000 0.514 203 Y N -0.240 119.970 120.300 -0.150 0.000 2.361 203 Y HA 0.601 5.151 4.550 -0.000 0.000 0.337 203 Y C 0.437 176.327 175.900 -0.016 0.000 0.965 203 Y CA -0.812 57.258 58.100 -0.049 0.000 1.091 203 Y CB 2.432 40.867 38.460 -0.041 0.000 1.182 203 Y HN 0.520 nan 8.280 nan 0.000 0.450 204 R N 2.482 123.050 120.500 0.113 0.000 2.538 204 R HA 0.291 4.631 4.340 -0.000 0.000 0.292 204 R C -0.706 175.639 176.300 0.075 0.000 1.008 204 R CA -0.363 55.789 56.100 0.087 0.000 0.896 204 R CB 0.940 31.278 30.300 0.064 0.000 1.187 204 R HN 0.798 nan 8.270 nan 0.000 0.440 205 E N 2.357 122.597 120.200 0.066 0.000 2.722 205 E HA -0.242 4.108 4.350 -0.000 0.000 0.265 205 E C 0.563 177.195 176.600 0.053 0.000 1.081 205 E CA 1.351 57.779 56.400 0.047 0.000 0.781 205 E CB -1.510 28.210 29.700 0.033 0.000 1.372 205 E HN 1.185 nan 8.360 nan 0.000 0.423 206 G N -0.299 108.552 108.800 0.085 0.000 2.184 206 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.264 206 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.264 206 G C 0.230 175.221 174.900 0.152 0.000 0.975 206 G CA 1.028 46.186 45.100 0.097 0.000 0.642 206 G HN 0.332 nan 8.290 nan 0.000 0.536 207 K N 0.627 121.093 120.400 0.110 0.000 2.130 207 K HA 0.701 5.021 4.320 -0.000 0.000 0.268 207 K C 0.472 177.035 176.600 -0.062 0.000 0.983 207 K CA -0.062 56.243 56.287 0.031 0.000 0.893 207 K CB 1.764 34.253 32.500 -0.019 0.000 1.066 207 K HN 0.454 nan 8.250 nan 0.000 0.450 208 A N 2.257 124.923 122.820 -0.257 0.000 2.454 208 A HA 0.416 4.736 4.320 -0.000 0.000 0.260 208 A C -0.057 177.352 177.584 -0.292 0.000 1.106 208 A CA -0.375 51.297 52.037 -0.608 0.000 0.780 208 A CB -0.157 18.276 19.000 -0.945 0.000 1.044 208 A HN 0.554 nan 8.150 nan 0.000 0.498 209 V N 0.762 120.637 119.914 -0.065 0.000 3.147 209 V HA 0.686 4.806 4.120 -0.000 0.000 0.306 209 V C -0.767 175.456 176.094 0.216 0.000 1.209 209 V CA -0.849 61.533 62.300 0.137 0.000 1.023 209 V CB 1.348 33.221 31.823 0.083 0.000 1.059 209 V HN 0.967 nan 8.190 nan 0.000 0.435 210 H N 0.129 119.309 119.070 0.183 0.000 2.690 210 H HA 0.669 5.225 4.556 -0.000 0.000 0.368 210 H C -0.505 174.901 175.328 0.131 0.000 1.150 210 H CA -0.940 55.142 56.048 0.056 0.000 1.174 210 H CB 2.284 31.919 29.762 -0.211 0.000 1.684 210 H HN 0.833 nan 8.280 nan 0.000 0.538 211 V N 2.531 122.617 119.914 0.286 0.000 2.720 211 V HA -0.073 4.047 4.120 -0.000 0.000 0.307 211 V C 0.266 176.473 176.094 0.189 0.000 1.071 211 V CA 0.639 63.071 62.300 0.221 0.000 1.199 211 V CB 1.094 33.050 31.823 0.222 0.000 0.900 211 V HN 0.742 nan 8.190 nan 0.000 0.494 212 S N 7.768 123.567 115.700 0.166 0.000 2.586 212 S HA 0.562 5.032 4.470 -0.000 0.000 0.274 212 S C -2.104 172.586 174.600 0.149 0.000 1.281 212 S CA -1.214 57.068 58.200 0.137 0.000 1.035 212 S CB 1.155 64.418 63.200 0.105 0.000 0.962 212 S HN 0.911 nan 8.310 nan 0.000 0.512 213 P HA 0.455 nan 4.420 nan 0.000 0.272 213 P C -0.234 177.120 177.300 0.090 0.000 1.223 213 P CA -0.231 62.919 63.100 0.082 0.000 0.784 213 P CB 0.654 32.382 31.700 0.047 0.000 0.923 214 G N -0.327 108.516 108.800 0.071 0.000 2.646 214 G HA2 0.527 4.487 3.960 -0.000 0.000 0.291 214 G HA3 0.527 4.487 3.960 -0.000 0.000 0.291 214 G C -1.391 173.510 174.900 0.002 0.000 1.445 214 G CA -0.430 44.714 45.100 0.073 0.000 0.814 214 G HN 0.554 nan 8.290 nan 0.000 0.495 215 A N 0.217 123.032 122.820 -0.008 0.000 2.520 215 A HA 0.553 4.873 4.320 -0.000 0.000 0.245 215 A C 1.392 178.934 177.584 -0.070 0.000 1.072 215 A CA 0.501 52.514 52.037 -0.040 0.000 0.761 215 A CB -0.441 18.536 19.000 -0.037 0.000 1.004 215 A HN 1.760 nan 8.150 nan 0.000 0.499 216 L N 0.535 121.682 121.223 -0.127 0.000 4.001 216 L HA -0.316 4.024 4.340 -0.000 0.000 0.413 216 L C 1.206 177.868 176.870 -0.348 0.000 1.185 216 L CA 0.670 55.384 54.840 -0.209 0.000 0.963 216 L CB -1.761 40.235 42.059 -0.105 0.000 1.976 216 L HN 0.996 nan 8.230 nan 0.000 0.939 217 D N 0.292 120.446 120.400 -0.411 0.000 2.117 217 D HA -0.126 4.514 4.640 -0.000 0.000 0.198 217 D C 1.959 177.831 176.300 -0.713 0.000 0.982 217 D CA 1.396 54.878 54.000 -0.865 0.000 0.828 217 D CB -0.093 40.370 40.800 -0.562 0.000 0.967 217 D HN 0.443 nan 8.370 nan 0.000 0.464 218 A N 0.795 123.373 122.820 -0.404 0.000 1.940 218 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 218 A C 2.098 179.500 177.584 -0.305 0.000 1.176 218 A CA 1.923 53.815 52.037 -0.241 0.000 0.631 218 A CB -0.638 18.308 19.000 -0.090 0.000 0.814 218 A HN 0.239 nan 8.150 nan 0.000 0.446 219 E N -0.431 119.381 120.200 -0.647 0.000 2.158 219 E HA 0.144 4.494 4.350 -0.000 0.000 0.191 219 E C 2.011 178.463 176.600 -0.246 0.000 0.982 219 E CA 1.168 57.122 56.400 -0.743 0.000 0.823 219 E CB -0.222 28.939 29.700 -0.899 0.000 0.766 219 E HN 0.588 nan 8.360 nan 0.000 0.468 220 A N -0.209 122.467 122.820 -0.241 0.000 2.014 220 A HA 0.079 4.399 4.320 -0.000 0.000 0.210 220 A C 0.725 178.389 177.584 0.135 0.000 1.188 220 A CA 0.602 52.629 52.037 -0.018 0.000 0.731 220 A CB -0.016 19.030 19.000 0.076 0.000 0.858 220 A HN 0.422 nan 8.150 nan 0.000 0.464 221 Y N -4.263 116.060 120.300 0.039 0.000 2.979 221 Y HA 0.474 5.024 4.550 -0.000 0.000 0.251 221 Y C 0.765 176.686 175.900 0.036 0.000 1.092 221 Y CA -0.540 57.596 58.100 0.060 0.000 1.206 221 Y CB -0.438 38.064 38.460 0.070 0.000 1.254 221 Y HN -0.020 nan 8.280 nan 0.000 0.625 222 G N 0.713 109.455 108.800 -0.097 0.000 3.189 222 G HA2 0.354 4.314 3.960 -0.000 0.000 0.225 222 G HA3 0.354 4.314 3.960 -0.000 0.000 0.225 222 G C -0.245 174.637 174.900 -0.031 0.000 1.159 222 G CA 0.080 45.140 45.100 -0.066 0.000 0.763 222 G HN 0.136 nan 8.290 nan 0.000 0.549 223 V N 0.577 120.472 119.914 -0.032 0.000 2.509 223 V HA 0.427 4.547 4.120 -0.000 0.000 0.284 223 V C -0.336 175.657 176.094 -0.169 0.000 1.047 223 V CA -0.515 61.704 62.300 -0.135 0.000 0.952 223 V CB 1.470 33.119 31.823 -0.289 0.000 0.988 223 V HN 0.115 nan 8.190 nan 0.000 0.469 224 K N 2.555 122.813 120.400 -0.237 0.000 2.270 224 K HA 0.796 5.116 4.320 -0.000 0.000 0.255 224 K C -0.515 175.936 176.600 -0.248 0.000 0.936 224 K CA -0.185 55.946 56.287 -0.259 0.000 0.809 224 K CB 2.001 34.245 32.500 -0.426 0.000 1.131 224 K HN 0.709 nan 8.250 nan 0.000 0.427 225 S N 0.223 115.846 115.700 -0.129 0.000 2.625 225 S HA 0.625 5.095 4.470 -0.000 0.000 0.271 225 S C -1.177 173.477 174.600 0.090 0.000 1.161 225 S CA -0.710 57.432 58.200 -0.097 0.000 0.820 225 S CB 0.949 64.049 63.200 -0.168 0.000 1.137 225 S HN 0.676 nan 8.310 nan 0.000 0.470 226 T N 0.286 114.894 114.554 0.091 0.000 2.927 226 T HA 0.514 4.864 4.350 -0.000 0.000 0.281 226 T C 1.250 176.048 174.700 0.164 0.000 0.998 226 T CA -0.547 61.653 62.100 0.166 0.000 1.019 226 T CB 0.849 69.764 68.868 0.078 0.000 1.061 226 T HN 0.449 nan 8.240 nan 0.000 0.518 227 I N 0.765 121.442 120.570 0.179 0.000 2.361 227 I HA -0.046 4.124 4.170 -0.000 0.000 0.251 227 I C 2.283 178.532 176.117 0.219 0.000 1.133 227 I CA 1.454 62.869 61.300 0.191 0.000 1.413 227 I CB -0.596 37.534 38.000 0.216 0.000 1.073 227 I HN 0.827 nan 8.210 nan 0.000 0.424 228 E N -0.090 120.145 120.200 0.057 0.000 2.046 228 E HA -0.204 4.146 4.350 -0.000 0.000 0.190 228 E C 1.716 178.408 176.600 0.154 0.000 0.982 228 E CA 1.360 57.785 56.400 0.042 0.000 0.800 228 E CB -0.164 29.444 29.700 -0.154 0.000 0.756 228 E HN 0.457 nan 8.360 nan 0.000 0.449 229 D N 0.251 120.720 120.400 0.115 0.000 2.144 229 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 229 D C 1.825 178.249 176.300 0.207 0.000 0.984 229 D CA 0.950 55.019 54.000 0.115 0.000 0.834 229 D CB -0.017 40.791 40.800 0.013 0.000 0.955 229 D HN 0.065 nan 8.370 nan 0.000 0.465 230 M N 0.236 119.974 119.600 0.229 0.000 2.229 230 M HA 0.005 4.485 4.480 -0.000 0.000 0.264 230 M C 2.178 178.677 176.300 0.332 0.000 1.063 230 M CA 0.646 56.145 55.300 0.331 0.000 1.114 230 M CB -1.026 31.745 32.600 0.285 0.000 1.387 230 M HN -0.021 nan 8.290 nan 0.000 0.420 231 A N -0.270 122.716 122.820 0.277 0.000 1.930 231 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 231 A C 2.381 180.052 177.584 0.144 0.000 1.175 231 A CA 1.652 53.813 52.037 0.206 0.000 0.627 231 A CB -0.649 18.508 19.000 0.263 0.000 0.815 231 A HN 0.464 nan 8.150 nan 0.000 0.443 232 R N -1.326 119.285 120.500 0.185 0.000 2.092 232 R HA -0.159 4.181 4.340 -0.000 0.000 0.231 232 R C 2.135 178.543 176.300 0.179 0.000 1.119 232 R CA 1.403 57.588 56.100 0.142 0.000 0.970 232 R CB -0.378 30.012 30.300 0.150 0.000 0.864 232 R HN 0.833 nan 8.270 nan 0.000 0.440 233 W N 0.637 121.969 121.300 0.052 0.000 2.358 233 W HA -0.204 4.456 4.660 0.000 0.000 0.303 233 W C 1.386 177.859 176.519 -0.077 0.000 1.208 233 W CA 1.214 58.586 57.345 0.044 0.000 1.274 233 W CB -0.018 29.527 29.460 0.142 0.000 1.138 233 W HN -0.030 nan 8.180 nan 0.000 0.515 234 V N 1.299 121.149 119.914 -0.108 0.000 2.358 234 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 234 V C 2.395 178.156 176.094 -0.556 0.000 1.047 234 V CA 2.189 64.215 62.300 -0.457 0.000 1.035 234 V CB -1.026 30.662 31.823 -0.225 0.000 0.658 234 V HN 0.227 nan 8.190 nan 0.000 0.452 235 Q N -0.184 119.440 119.800 -0.292 0.000 2.135 235 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 235 Q C 2.466 178.284 176.000 -0.304 0.000 0.981 235 Q CA 1.957 57.603 55.803 -0.261 0.000 0.856 235 Q CB -0.256 28.402 28.738 -0.133 0.000 0.902 235 Q HN 0.605 nan 8.270 nan 0.000 0.425 236 S N 0.749 116.274 115.700 -0.291 0.000 2.383 236 S HA -0.055 4.415 4.470 -0.000 0.000 0.227 236 S C 1.501 175.835 174.600 -0.443 0.000 1.026 236 S CA 0.789 58.822 58.200 -0.279 0.000 0.981 236 S CB -0.099 63.005 63.200 -0.160 0.000 0.818 236 S HN 0.379 nan 8.310 nan 0.000 0.472 237 N N 1.031 119.294 118.700 -0.729 0.000 2.416 237 N HA 0.160 4.900 4.740 -0.000 0.000 0.177 237 N C 1.520 176.518 175.510 -0.852 0.000 1.036 237 N CA 0.399 52.932 53.050 -0.862 0.000 0.901 237 N CB -0.059 37.675 38.487 -1.254 0.000 0.976 237 N HN 0.326 nan 8.380 nan 0.000 0.444 238 L N 0.210 120.920 121.223 -0.855 0.000 2.109 238 L HA -0.008 4.332 4.340 -0.000 0.000 0.207 238 L C 0.963 177.642 176.870 -0.319 0.000 1.086 238 L CA 0.962 55.454 54.840 -0.580 0.000 0.760 238 L CB 0.166 41.932 42.059 -0.487 0.000 0.910 238 L HN -0.047 nan 8.230 nan 0.000 0.437 239 K N -0.384 119.842 120.400 -0.289 0.000 2.895 239 K HA 0.186 4.506 4.320 -0.000 0.000 0.191 239 K C -2.028 174.472 176.600 -0.167 0.000 1.117 239 K CA -1.084 55.088 56.287 -0.191 0.000 0.988 239 K CB 1.126 33.530 32.500 -0.159 0.000 1.181 239 K HN -0.223 nan 8.250 nan 0.000 0.598 240 P HA -0.161 nan 4.420 nan 0.000 0.220 240 P C 0.980 178.230 177.300 -0.083 0.000 1.148 240 P CA 0.880 63.906 63.100 -0.124 0.000 0.803 240 P CB 0.249 31.879 31.700 -0.116 0.000 0.782 241 L N -0.330 120.847 121.223 -0.077 0.000 2.353 241 L HA -0.103 4.237 4.340 -0.000 0.000 0.220 241 L C 1.735 178.573 176.870 -0.053 0.000 1.133 241 L CA 1.110 55.915 54.840 -0.058 0.000 0.798 241 L CB -0.901 41.125 42.059 -0.055 0.000 0.922 241 L HN -0.079 nan 8.230 nan 0.000 0.445 242 D N -0.096 120.266 120.400 -0.063 0.000 2.355 242 D HA 0.075 4.715 4.640 -0.000 0.000 0.218 242 D C 0.484 176.759 176.300 -0.042 0.000 1.004 242 D CA 0.472 54.440 54.000 -0.054 0.000 0.880 242 D CB 0.179 40.941 40.800 -0.065 0.000 0.911 242 D HN 0.125 nan 8.370 nan 0.000 0.528 243 I N 1.707 122.252 120.570 -0.041 0.000 2.396 243 I HA 0.012 4.182 4.170 -0.000 0.000 0.289 243 I C 1.541 177.647 176.117 -0.018 0.000 1.056 243 I CA -0.177 61.108 61.300 -0.025 0.000 1.365 243 I CB 0.724 38.712 38.000 -0.020 0.000 1.407 243 I HN -0.182 nan 8.210 nan 0.000 0.509 244 N N 3.853 122.546 118.700 -0.012 0.000 2.188 244 N HA -0.109 4.631 4.740 -0.000 0.000 0.184 244 N C 0.162 175.667 175.510 -0.008 0.000 1.018 244 N CA 0.828 53.872 53.050 -0.011 0.000 0.858 244 N CB 0.014 38.495 38.487 -0.010 0.000 0.989 244 N HN 0.544 nan 8.380 nan 0.000 0.426 245 E N 1.672 121.870 120.200 -0.004 0.000 2.238 245 E HA 0.025 4.375 4.350 -0.000 0.000 0.264 245 E C 0.832 177.431 176.600 -0.002 0.000 1.136 245 E CA 0.168 56.566 56.400 -0.002 0.000 0.929 245 E CB 0.465 30.166 29.700 0.003 0.000 1.010 245 E HN 0.170 nan 8.360 nan 0.000 0.440 246 K N 1.210 121.608 120.400 -0.004 0.000 2.044 246 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 246 K C 1.959 178.560 176.600 0.002 0.000 1.049 246 K CA 2.023 58.308 56.287 -0.003 0.000 0.927 246 K CB -0.245 32.252 32.500 -0.005 0.000 0.713 246 K HN 0.606 nan 8.250 nan 0.000 0.443 247 T N -0.010 114.546 114.554 0.003 0.000 2.867 247 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 247 T C 1.816 176.526 174.700 0.018 0.000 1.057 247 T CA 0.779 62.885 62.100 0.009 0.000 1.136 247 T CB -0.175 68.696 68.868 0.004 0.000 0.874 247 T HN 0.042 nan 8.240 nan 0.000 0.466 248 L N 1.069 122.303 121.223 0.018 0.000 2.109 248 L HA 0.125 4.465 4.340 -0.000 0.000 0.207 248 L C 2.775 179.662 176.870 0.029 0.000 1.086 248 L CA 1.674 56.535 54.840 0.035 0.000 0.760 248 L CB -1.018 41.065 42.059 0.040 0.000 0.910 248 L HN 0.354 nan 8.230 nan 0.000 0.437 249 Q N -0.838 118.968 119.800 0.011 0.000 2.061 249 Q HA -0.286 4.054 4.340 -0.000 0.000 0.204 249 Q C 2.164 178.164 176.000 0.000 0.000 0.984 249 Q CA 2.317 58.117 55.803 -0.006 0.000 0.846 249 Q CB -0.126 28.604 28.738 -0.014 0.000 0.902 249 Q HN 0.662 nan 8.270 nan 0.000 0.421 250 Q N -0.818 118.988 119.800 0.010 0.000 2.119 250 Q HA -0.100 4.239 4.340 -0.000 0.000 0.201 250 Q C 2.032 178.057 176.000 0.041 0.000 0.972 250 Q CA 1.098 56.912 55.803 0.019 0.000 0.847 250 Q CB -0.209 28.541 28.738 0.020 0.000 0.903 250 Q HN 0.553 nan 8.270 nan 0.000 0.433 251 G N 1.148 109.979 108.800 0.052 0.000 2.418 251 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 251 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 251 G C 1.415 176.378 174.900 0.104 0.000 1.158 251 G CA 0.599 45.750 45.100 0.085 0.000 0.771 251 G HN 0.228 nan 8.290 nan 0.000 0.545 252 I N 0.289 120.902 120.570 0.071 0.000 2.286 252 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 252 I C 3.027 179.171 176.117 0.045 0.000 1.115 252 I CA 1.078 62.409 61.300 0.051 0.000 1.392 252 I CB -0.255 37.716 38.000 -0.049 0.000 1.065 252 I HN 0.259 nan 8.210 nan 0.000 0.418 253 Q N 0.479 120.292 119.800 0.022 0.000 2.079 253 Q HA -0.161 4.179 4.340 -0.000 0.000 0.200 253 Q C 2.410 178.441 176.000 0.052 0.000 0.974 253 Q CA 1.288 57.097 55.803 0.010 0.000 0.840 253 Q CB -0.112 28.621 28.738 -0.009 0.000 0.898 253 Q HN 0.543 nan 8.270 nan 0.000 0.430 254 L N 0.110 121.388 121.223 0.092 0.000 2.141 254 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 254 L C 2.412 179.433 176.870 0.252 0.000 1.094 254 L CA 0.804 55.737 54.840 0.155 0.000 0.763 254 L CB -0.516 41.641 42.059 0.163 0.000 0.908 254 L HN 0.183 nan 8.230 nan 0.000 0.437 255 A N -0.792 122.174 122.820 0.243 0.000 2.067 255 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 255 A C 2.033 179.843 177.584 0.375 0.000 1.158 255 A CA 1.095 53.332 52.037 0.333 0.000 0.661 255 A CB -0.222 19.009 19.000 0.384 0.000 0.801 255 A HN 0.490 nan 8.150 nan 0.000 0.452 256 Q N 0.008 119.944 119.800 0.225 0.000 2.247 256 Q HA 0.188 4.528 4.340 -0.000 0.000 0.204 256 Q C -0.181 175.844 176.000 0.042 0.000 0.872 256 Q CA -0.317 55.561 55.803 0.125 0.000 0.951 256 Q CB 0.440 29.174 28.738 -0.006 0.000 1.099 256 Q HN 0.495 nan 8.270 nan 0.000 0.501 257 S N 0.983 116.694 115.700 0.018 0.000 2.585 257 S HA 0.232 4.702 4.470 -0.000 0.000 0.273 257 S C 0.067 174.481 174.600 -0.310 0.000 1.339 257 S CA -0.217 57.840 58.200 -0.238 0.000 1.028 257 S CB 0.617 63.539 63.200 -0.464 0.000 0.906 257 S HN 0.231 nan 8.310 nan 0.000 0.528 258 R N 1.531 121.821 120.500 -0.350 0.000 2.204 258 R HA 0.240 4.580 4.340 -0.000 0.000 0.341 258 R C -0.354 175.767 176.300 -0.299 0.000 1.035 258 R CA -0.133 55.865 56.100 -0.169 0.000 0.887 258 R CB 0.359 30.558 30.300 -0.168 0.000 1.114 258 R HN 0.695 nan 8.270 nan 0.000 0.473 259 Y N 0.692 120.991 120.300 -0.001 0.000 2.441 259 Y HA 0.128 4.678 4.550 -0.000 0.000 0.288 259 Y C 0.206 175.807 175.900 -0.498 0.000 1.118 259 Y CA 0.373 58.312 58.100 -0.267 0.000 1.215 259 Y CB 0.498 38.804 38.460 -0.257 0.000 1.118 259 Y HN 0.462 nan 8.280 nan 0.000 0.547 260 W N -0.183 121.285 121.300 0.279 0.000 3.031 260 W HA 0.568 5.228 4.660 0.000 0.000 0.337 260 W C -0.875 175.743 176.519 0.165 0.000 1.187 260 W CA -1.012 56.449 57.345 0.194 0.000 1.166 260 W CB 1.175 30.732 29.460 0.162 0.000 1.437 260 W HN -0.445 nan 8.180 nan 0.000 0.551 261 Q N 1.303 121.294 119.800 0.319 0.000 2.337 261 Q HA 0.626 4.966 4.340 -0.000 0.000 0.270 261 Q C -1.319 174.689 176.000 0.014 0.000 1.043 261 Q CA -0.470 55.345 55.803 0.020 0.000 0.794 261 Q CB 2.407 31.088 28.738 -0.095 0.000 1.281 261 Q HN 0.433 nan 8.270 nan 0.000 0.446 262 T N 2.809 117.320 114.554 -0.071 0.000 2.965 262 T HA 0.613 4.963 4.350 -0.000 0.000 0.306 262 T C 0.379 175.020 174.700 -0.098 0.000 0.991 262 T CA 0.762 62.832 62.100 -0.049 0.000 1.001 262 T CB 0.557 69.418 68.868 -0.011 0.000 0.984 262 T HN 1.088 nan 8.240 nan 0.000 0.446 263 G N 5.471 114.214 108.800 -0.095 0.000 2.561 263 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.289 263 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.289 263 G C 0.288 175.100 174.900 -0.147 0.000 1.169 263 G CA 0.712 45.755 45.100 -0.096 0.000 0.980 263 G HN 0.985 nan 8.290 nan 0.000 0.550 264 D N 0.623 120.946 120.400 -0.128 0.000 2.368 264 D HA 0.327 4.967 4.640 -0.000 0.000 0.218 264 D C 1.175 177.383 176.300 -0.153 0.000 1.112 264 D CA 0.706 54.626 54.000 -0.134 0.000 0.834 264 D CB -0.345 40.417 40.800 -0.063 0.000 0.953 264 D HN 0.963 nan 8.370 nan 0.000 0.505 265 M N -1.060 118.423 119.600 -0.196 0.000 2.508 265 M HA 0.650 5.130 4.480 -0.000 0.000 0.327 265 M C -1.659 174.509 176.300 -0.220 0.000 1.160 265 M CA -0.860 54.402 55.300 -0.063 0.000 0.980 265 M CB 2.013 34.667 32.600 0.089 0.000 1.693 265 M HN -0.254 nan 8.290 nan 0.000 0.452 266 Y N 0.280 120.687 120.300 0.178 0.000 2.446 266 Y HA 0.545 5.095 4.550 -0.000 0.000 0.345 266 Y C -0.534 175.523 175.900 0.262 0.000 0.984 266 Y CA -0.659 57.560 58.100 0.197 0.000 1.058 266 Y CB 1.863 40.407 38.460 0.140 0.000 1.220 266 Y HN 0.672 nan 8.280 nan 0.000 0.455 267 Q N 1.676 121.751 119.800 0.458 0.000 2.303 267 Q HA 0.591 4.931 4.340 -0.000 0.000 0.257 267 Q C -0.060 176.231 176.000 0.484 0.000 0.941 267 Q CA -0.203 55.871 55.803 0.452 0.000 0.931 267 Q CB 1.195 30.212 28.738 0.465 0.000 1.215 267 Q HN 0.907 nan 8.270 nan 0.000 0.437 268 G N 2.740 111.799 108.800 0.431 0.000 2.890 268 G HA2 0.495 4.455 3.960 -0.000 0.000 0.189 268 G HA3 0.495 4.455 3.960 -0.000 0.000 0.189 268 G C -0.961 174.115 174.900 0.292 0.000 1.342 268 G CA -0.828 44.555 45.100 0.472 0.000 1.026 268 G HN 0.585 nan 8.290 nan 0.000 0.579 269 L N 1.221 122.587 121.223 0.239 0.000 2.270 269 L HA 0.448 4.788 4.340 -0.000 0.000 0.286 269 L C 1.369 178.282 176.870 0.072 0.000 1.059 269 L CA 0.478 55.326 54.840 0.012 0.000 0.839 269 L CB 0.477 42.535 42.059 -0.002 0.000 1.221 269 L HN 1.053 nan 8.230 nan 0.000 0.431 270 G N 2.195 111.005 108.800 0.017 0.000 3.329 270 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.220 270 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.220 270 G C -0.008 174.933 174.900 0.067 0.000 1.358 270 G CA -0.227 44.879 45.100 0.010 0.000 0.856 270 G HN 0.506 nan 8.290 nan 0.000 0.551 271 W N 2.174 123.600 121.300 0.211 0.000 2.150 271 W HA 0.607 5.267 4.660 -0.000 0.000 0.341 271 W C 0.825 177.487 176.519 0.239 0.000 1.276 271 W CA -0.239 57.229 57.345 0.205 0.000 1.238 271 W CB 0.456 30.009 29.460 0.155 0.000 1.128 271 W HN 0.310 nan 8.180 nan 0.000 0.581 272 E N 1.250 121.793 120.200 0.572 0.000 2.277 272 E HA 0.608 4.958 4.350 -0.000 0.000 0.266 272 E C -0.887 176.007 176.600 0.489 0.000 0.901 272 E CA -1.121 55.578 56.400 0.498 0.000 0.782 272 E CB 1.864 31.845 29.700 0.469 0.000 1.228 272 E HN 0.190 nan 8.360 nan 0.000 0.424 273 M N 1.659 121.505 119.600 0.411 0.000 2.575 273 M HA 0.494 4.974 4.480 -0.000 0.000 0.284 273 M C -1.639 174.887 176.300 0.377 0.000 1.253 273 M CA -0.377 55.109 55.300 0.309 0.000 0.861 273 M CB 1.831 34.539 32.600 0.181 0.000 1.733 273 M HN 0.293 nan 8.290 nan 0.000 0.462 274 L N 0.249 121.657 121.223 0.308 0.000 2.424 274 L HA 0.559 4.899 4.340 -0.000 0.000 0.258 274 L C -0.917 176.119 176.870 0.277 0.000 0.995 274 L CA -0.690 54.338 54.840 0.314 0.000 0.821 274 L CB 1.984 44.143 42.059 0.167 0.000 1.383 274 L HN 0.541 nan 8.230 nan 0.000 0.410 275 D N 0.790 121.344 120.400 0.258 0.000 2.414 275 D HA 0.024 4.664 4.640 -0.000 0.000 0.242 275 D C -0.996 175.447 176.300 0.238 0.000 1.129 275 D CA 0.190 54.306 54.000 0.194 0.000 0.885 275 D CB 1.192 42.077 40.800 0.141 0.000 1.198 275 D HN 0.344 nan 8.370 nan 0.000 0.437 276 W N 4.220 125.572 121.300 0.087 0.000 2.520 276 W HA 0.297 4.957 4.660 -0.000 0.000 0.323 276 W C -2.267 174.301 176.519 0.082 0.000 1.062 276 W CA -1.843 55.572 57.345 0.118 0.000 1.215 276 W CB 1.217 30.766 29.460 0.148 0.000 1.340 276 W HN 0.242 nan 8.180 nan 0.000 0.516 277 P HA 0.089 nan 4.420 nan 0.000 0.269 277 P C -0.959 176.007 177.300 -0.555 0.000 1.209 277 P CA -0.023 62.310 63.100 -1.278 0.000 0.776 277 P CB 2.116 33.292 31.700 -0.874 0.000 0.876 278 V N 2.087 121.685 119.914 -0.526 0.000 2.769 278 V HA 0.320 4.440 4.120 -0.000 0.000 0.312 278 V C -0.028 175.793 176.094 -0.455 0.000 1.058 278 V CA -1.065 61.055 62.300 -0.300 0.000 0.952 278 V CB 1.673 33.386 31.823 -0.183 0.000 1.019 278 V HN 0.668 nan 8.190 nan 0.000 0.445 279 N N 5.386 123.848 118.700 -0.396 0.000 2.401 279 N HA 0.296 5.036 4.740 -0.000 0.000 0.255 279 N C -1.927 173.210 175.510 -0.621 0.000 1.110 279 N CA -1.477 51.314 53.050 -0.431 0.000 0.949 279 N CB 1.740 40.059 38.487 -0.279 0.000 1.110 279 N HN 0.390 nan 8.380 nan 0.000 0.490 280 P HA -0.147 nan 4.420 nan 0.000 0.215 280 P C 0.596 177.524 177.300 -0.619 0.000 1.163 280 P CA 1.266 63.673 63.100 -1.155 0.000 0.894 280 P CB 0.330 31.210 31.700 -1.365 0.000 0.791 281 D N -1.053 119.091 120.400 -0.427 0.000 2.182 281 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 281 D C 2.068 178.231 176.300 -0.229 0.000 0.986 281 D CA 1.252 55.090 54.000 -0.269 0.000 0.847 281 D CB -0.627 40.053 40.800 -0.199 0.000 0.942 281 D HN 0.155 nan 8.370 nan 0.000 0.467 282 S N 0.641 116.187 115.700 -0.256 0.000 2.356 282 S HA -0.125 4.345 4.470 -0.000 0.000 0.223 282 S C 2.202 176.706 174.600 -0.160 0.000 1.032 282 S CA 1.091 59.177 58.200 -0.190 0.000 1.005 282 S CB -0.199 62.887 63.200 -0.191 0.000 0.867 282 S HN 0.404 nan 8.310 nan 0.000 0.449 283 I N -1.190 119.243 120.570 -0.228 0.000 2.500 283 I HA 0.060 4.230 4.170 -0.000 0.000 0.252 283 I C 2.053 178.128 176.117 -0.070 0.000 1.142 283 I CA 0.949 62.178 61.300 -0.118 0.000 1.451 283 I CB -0.491 37.361 38.000 -0.248 0.000 1.093 283 I HN 0.235 nan 8.210 nan 0.000 0.430 284 I N 2.245 122.723 120.570 -0.154 0.000 2.193 284 I HA -0.224 3.946 4.170 -0.000 0.000 0.240 284 I C 2.224 178.288 176.117 -0.089 0.000 1.084 284 I CA 1.967 63.198 61.300 -0.115 0.000 1.365 284 I CB -0.656 37.259 38.000 -0.142 0.000 1.064 284 I HN 0.288 nan 8.210 nan 0.000 0.410 285 N N 0.599 119.240 118.700 -0.098 0.000 2.188 285 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 285 N C 1.930 177.402 175.510 -0.062 0.000 1.018 285 N CA 0.975 53.979 53.050 -0.077 0.000 0.858 285 N CB -0.264 38.175 38.487 -0.081 0.000 0.989 285 N HN 0.378 nan 8.380 nan 0.000 0.426 286 G N 0.527 109.293 108.800 -0.057 0.000 2.509 286 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 286 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 286 G C 1.536 176.420 174.900 -0.026 0.000 1.124 286 G CA 0.921 46.002 45.100 -0.032 0.000 0.776 286 G HN 0.411 nan 8.290 nan 0.000 0.547 287 S N -0.454 115.227 115.700 -0.031 0.000 2.528 287 S HA 0.035 4.505 4.470 -0.000 0.000 0.219 287 S C 0.729 175.280 174.600 -0.082 0.000 0.985 287 S CA -0.062 58.106 58.200 -0.054 0.000 0.914 287 S CB 0.045 63.209 63.200 -0.060 0.000 0.776 287 S HN 0.265 nan 8.310 nan 0.000 0.526 288 D N 2.058 122.416 120.400 -0.069 0.000 2.425 288 D HA 0.096 4.735 4.640 -0.000 0.000 0.247 288 D C 0.538 176.797 176.300 -0.068 0.000 1.147 288 D CA 0.162 54.123 54.000 -0.065 0.000 0.879 288 D CB 0.366 41.135 40.800 -0.051 0.000 1.179 288 D HN 0.361 nan 8.370 nan 0.000 0.456 289 N N 2.630 121.289 118.700 -0.068 0.000 2.334 289 N HA -0.232 4.508 4.740 -0.000 0.000 0.187 289 N C 1.758 177.241 175.510 -0.046 0.000 1.016 289 N CA 0.858 53.867 53.050 -0.067 0.000 0.879 289 N CB 0.088 38.545 38.487 -0.050 0.000 0.965 289 N HN 0.557 nan 8.380 nan 0.000 0.438 290 K N 1.041 121.420 120.400 -0.035 0.000 2.097 290 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 290 K C 1.566 178.150 176.600 -0.026 0.000 1.049 290 K CA 1.291 57.565 56.287 -0.023 0.000 0.933 290 K CB -0.063 32.424 32.500 -0.021 0.000 0.717 290 K HN 0.238 nan 8.250 nan 0.000 0.442 291 I N 0.814 121.361 120.570 -0.039 0.000 2.729 291 I HA 0.026 4.196 4.170 -0.000 0.000 0.256 291 I C 2.563 178.649 176.117 -0.052 0.000 1.115 291 I CA 0.517 61.793 61.300 -0.040 0.000 1.446 291 I CB -0.162 37.813 38.000 -0.042 0.000 1.176 291 I HN 0.234 nan 8.210 nan 0.000 0.446 292 A N 1.070 123.843 122.820 -0.079 0.000 2.024 292 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 292 A C 2.084 179.580 177.584 -0.147 0.000 1.164 292 A CA 1.465 53.422 52.037 -0.133 0.000 0.643 292 A CB -0.643 18.238 19.000 -0.198 0.000 0.806 292 A HN 0.448 nan 8.150 nan 0.000 0.451 293 L N -1.209 119.964 121.223 -0.083 0.000 2.640 293 L HA 0.293 4.633 4.340 -0.000 0.000 0.230 293 L C 1.073 177.960 176.870 0.029 0.000 1.123 293 L CA -0.107 54.726 54.840 -0.013 0.000 0.900 293 L CB -0.152 41.912 42.059 0.008 0.000 1.146 293 L HN 0.343 nan 8.230 nan 0.000 0.484 294 A N 0.775 123.598 122.820 0.005 0.000 2.340 294 A HA 0.690 5.010 4.320 -0.000 0.000 0.268 294 A C 0.439 178.022 177.584 -0.001 0.000 1.100 294 A CA -0.220 51.827 52.037 0.016 0.000 0.803 294 A CB 0.515 19.514 19.000 -0.002 0.000 1.043 294 A HN 0.190 nan 8.150 nan 0.000 0.488 295 A N 2.186 125.004 122.820 -0.003 0.000 2.462 295 A HA 0.580 4.900 4.320 -0.000 0.000 0.243 295 A C 0.363 177.842 177.584 -0.175 0.000 1.076 295 A CA -0.062 51.898 52.037 -0.127 0.000 0.773 295 A CB 0.150 19.005 19.000 -0.242 0.000 1.010 295 A HN 0.742 nan 8.150 nan 0.000 0.493 296 R N 2.049 122.420 120.500 -0.216 0.000 2.604 296 R HA 0.435 4.775 4.340 -0.000 0.000 0.281 296 R C -3.155 173.015 176.300 -0.216 0.000 1.020 296 R CA -1.928 54.068 56.100 -0.173 0.000 0.899 296 R CB 2.159 32.403 30.300 -0.094 0.000 1.205 296 R HN 0.566 nan 8.270 nan 0.000 0.450 297 P HA 0.083 nan 4.420 nan 0.000 0.271 297 P C -0.179 177.063 177.300 -0.096 0.000 1.216 297 P CA -0.195 62.800 63.100 -0.175 0.000 0.776 297 P CB 0.937 32.560 31.700 -0.128 0.000 0.881 298 V N -0.041 119.828 119.914 -0.075 0.000 2.715 298 V HA 0.606 4.726 4.120 -0.000 0.000 0.310 298 V C -0.229 175.977 176.094 0.187 0.000 1.054 298 V CA -1.158 61.172 62.300 0.051 0.000 0.928 298 V CB 2.056 33.880 31.823 0.003 0.000 1.007 298 V HN 0.451 nan 8.190 nan 0.000 0.437 299 K N 2.652 123.207 120.400 0.258 0.000 2.235 299 K HA 0.781 5.101 4.320 -0.000 0.000 0.266 299 K C 0.015 176.828 176.600 0.355 0.000 0.980 299 K CA -0.357 56.080 56.287 0.250 0.000 0.849 299 K CB 1.576 34.157 32.500 0.135 0.000 1.098 299 K HN 1.203 nan 8.250 nan 0.000 0.445 300 A N 5.024 128.033 122.820 0.315 0.000 2.462 300 A HA 0.274 4.594 4.320 -0.000 0.000 0.243 300 A C -0.063 177.479 177.584 -0.071 0.000 1.076 300 A CA -0.238 51.780 52.037 -0.031 0.000 0.773 300 A CB -0.049 18.889 19.000 -0.103 0.000 1.010 300 A HN 0.802 nan 8.150 nan 0.000 0.493 301 I N 2.780 123.235 120.570 -0.191 0.000 2.307 301 I HA 0.190 4.360 4.170 -0.000 0.000 0.287 301 I C -0.258 175.766 176.117 -0.154 0.000 1.054 301 I CA 0.021 61.259 61.300 -0.104 0.000 1.218 301 I CB 0.972 38.929 38.000 -0.072 0.000 1.398 301 I HN 0.528 nan 8.210 nan 0.000 0.475 302 T N 6.356 120.852 114.554 -0.096 0.000 2.874 302 T HA 0.417 4.767 4.350 -0.000 0.000 0.321 302 T C -1.604 173.061 174.700 -0.058 0.000 1.075 302 T CA -0.962 61.089 62.100 -0.083 0.000 0.966 302 T CB 0.767 69.603 68.868 -0.052 0.000 1.001 302 T HN 0.457 nan 8.240 nan 0.000 0.476 303 P HA 0.531 nan 4.420 nan 0.000 0.281 303 P C -3.062 174.153 177.300 -0.141 0.000 1.281 303 P CA -2.162 60.882 63.100 -0.093 0.000 0.811 303 P CB 0.092 31.751 31.700 -0.068 0.000 1.154 304 P HA 0.073 nan 4.420 nan 0.000 0.265 304 P C -0.331 176.804 177.300 -0.275 0.000 1.193 304 P CA 0.465 63.363 63.100 -0.338 0.000 0.765 304 P CB -0.036 31.304 31.700 -0.600 0.000 0.823 305 T N 5.655 120.051 114.554 -0.265 0.000 2.814 305 T HA 0.251 4.601 4.350 -0.000 0.000 0.297 305 T C -2.120 172.446 174.700 -0.222 0.000 0.956 305 T CA -1.084 60.891 62.100 -0.208 0.000 1.123 305 T CB -0.033 68.713 68.868 -0.205 0.000 0.902 305 T HN 0.260 nan 8.240 nan 0.000 0.528 306 P HA 0.209 nan 4.420 nan 0.000 0.270 306 P C -0.514 176.707 177.300 -0.130 0.000 1.223 306 P CA -0.461 62.558 63.100 -0.136 0.000 0.785 306 P CB 0.314 31.956 31.700 -0.096 0.000 0.923 307 A N 2.319 125.076 122.820 -0.105 0.000 2.583 307 A HA 0.036 4.355 4.320 -0.000 0.000 0.249 307 A C 0.130 177.656 177.584 -0.097 0.000 1.035 307 A CA 0.350 52.330 52.037 -0.095 0.000 0.777 307 A CB -0.815 18.142 19.000 -0.071 0.000 0.942 307 A HN 0.366 nan 8.150 nan 0.000 0.516 308 V N 5.975 125.823 119.914 -0.109 0.000 2.383 308 V HA 0.144 4.264 4.120 -0.000 0.000 0.275 308 V C 1.500 177.551 176.094 -0.071 0.000 1.036 308 V CA -0.329 61.915 62.300 -0.094 0.000 0.889 308 V CB 0.918 32.669 31.823 -0.119 0.000 0.985 308 V HN 1.059 nan 8.190 nan 0.000 0.459 309 R N 3.590 124.056 120.500 -0.056 0.000 2.096 309 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 309 R C 1.343 177.622 176.300 -0.035 0.000 1.127 309 R CA 1.410 57.478 56.100 -0.053 0.000 0.968 309 R CB -0.085 30.185 30.300 -0.048 0.000 0.861 309 R HN 0.740 nan 8.270 nan 0.000 0.440 310 A N 1.586 124.412 122.820 0.010 0.000 3.063 310 A HA 0.251 4.571 4.320 -0.000 0.000 0.263 310 A C -0.560 177.111 177.584 0.146 0.000 1.736 310 A CA 0.061 52.157 52.037 0.099 0.000 1.408 310 A CB 0.031 19.111 19.000 0.134 0.000 1.108 310 A HN 0.072 nan 8.150 nan 0.000 0.621 311 S N 0.309 116.057 115.700 0.080 0.000 2.595 311 S HA 0.557 5.027 4.470 -0.000 0.000 0.281 311 S C -1.104 173.544 174.600 0.081 0.000 1.117 311 S CA -0.596 57.668 58.200 0.107 0.000 0.873 311 S CB 1.271 64.458 63.200 -0.022 0.000 1.108 311 S HN 0.675 nan 8.310 nan 0.000 0.477 312 W N 3.593 124.887 121.300 -0.010 0.000 2.291 312 W HA 0.583 5.243 4.660 -0.000 0.000 0.312 312 W C -1.872 174.480 176.519 -0.278 0.000 1.061 312 W CA -0.557 56.725 57.345 -0.103 0.000 1.296 312 W CB 0.583 30.102 29.460 0.099 0.000 1.223 312 W HN 0.356 nan 8.180 nan 0.000 0.421 313 V N 7.581 127.041 119.914 -0.757 0.000 2.435 313 V HA 0.459 4.579 4.120 -0.000 0.000 0.290 313 V C -0.014 175.685 176.094 -0.659 0.000 1.030 313 V CA -0.294 61.531 62.300 -0.792 0.000 0.881 313 V CB 1.267 32.102 31.823 -1.646 0.000 0.983 313 V HN 0.682 nan 8.190 nan 0.000 0.445 314 H N 2.383 121.396 119.070 -0.096 0.000 2.932 314 H HA 0.886 5.442 4.556 -0.000 0.000 0.307 314 H C -1.309 174.278 175.328 0.432 0.000 1.391 314 H CA -1.291 54.828 56.048 0.120 0.000 1.130 314 H CB 2.120 31.982 29.762 0.167 0.000 1.836 314 H HN 0.452 nan 8.280 nan 0.000 0.522 315 K N 1.069 121.596 120.400 0.211 0.000 2.570 315 K HA 0.274 4.594 4.320 -0.000 0.000 0.256 315 K C -1.450 175.269 176.600 0.199 0.000 0.939 315 K CA -0.010 56.350 56.287 0.121 0.000 0.833 315 K CB 2.132 34.687 32.500 0.091 0.000 1.318 315 K HN 0.932 nan 8.250 nan 0.000 0.433 316 T N -0.097 114.574 114.554 0.194 0.000 2.934 316 T HA 0.899 5.249 4.350 -0.000 0.000 0.283 316 T C 0.252 175.053 174.700 0.168 0.000 1.005 316 T CA -0.478 61.777 62.100 0.258 0.000 1.041 316 T CB 1.679 70.607 68.868 0.100 0.000 1.042 316 T HN 0.670 nan 8.240 nan 0.000 0.505 317 G N -0.663 108.240 108.800 0.172 0.000 2.720 317 G HA2 0.772 4.732 3.960 -0.000 0.000 0.295 317 G HA3 0.772 4.732 3.960 -0.000 0.000 0.295 317 G C -1.560 173.434 174.900 0.155 0.000 1.437 317 G CA -0.524 44.678 45.100 0.169 0.000 0.886 317 G HN 1.206 nan 8.290 nan 0.000 0.509 318 A N 0.097 123.006 122.820 0.149 0.000 2.608 318 A HA 0.981 5.301 4.320 -0.000 0.000 0.292 318 A C -0.120 177.548 177.584 0.140 0.000 1.066 318 A CA 0.174 52.305 52.037 0.157 0.000 0.676 318 A CB 1.508 20.567 19.000 0.099 0.000 1.277 318 A HN 2.006 nan 8.150 nan 0.000 0.413 319 T N -2.169 112.505 114.554 0.199 0.000 2.742 319 T HA 0.647 4.997 4.350 -0.000 0.000 0.282 319 T C 1.337 176.144 174.700 0.179 0.000 1.025 319 T CA 0.167 62.362 62.100 0.158 0.000 1.020 319 T CB 0.957 69.970 68.868 0.242 0.000 1.317 319 T HN 1.734 nan 8.240 nan 0.000 0.538 320 G N -0.078 108.813 108.800 0.152 0.000 2.469 320 G HA2 0.124 4.084 3.960 -0.000 0.000 0.219 320 G HA3 0.124 4.084 3.960 -0.000 0.000 0.219 320 G C 1.130 176.124 174.900 0.157 0.000 1.150 320 G CA 0.707 45.886 45.100 0.131 0.000 0.763 320 G HN 1.233 nan 8.290 nan 0.000 0.561 321 G N -1.328 107.608 108.800 0.226 0.000 3.651 321 G HA2 0.499 4.459 3.960 -0.000 0.000 0.279 321 G HA3 0.499 4.459 3.960 -0.000 0.000 0.279 321 G C -0.528 174.349 174.900 -0.038 0.000 1.024 321 G CA -0.504 44.648 45.100 0.087 0.000 0.813 321 G HN 0.188 nan 8.290 nan 0.000 0.518 322 F N -0.514 119.568 119.950 0.221 0.000 2.599 322 F HA 0.716 5.243 4.527 -0.000 0.000 0.311 322 F C 0.320 176.265 175.800 0.242 0.000 1.076 322 F CA -1.057 57.112 58.000 0.281 0.000 0.937 322 F CB 2.531 41.717 39.000 0.309 0.000 1.282 322 F HN 0.025 nan 8.300 nan 0.000 0.460 323 G N 0.705 109.793 108.800 0.480 0.000 2.739 323 G HA2 0.563 4.523 3.960 -0.000 0.000 0.291 323 G HA3 0.563 4.523 3.960 -0.000 0.000 0.291 323 G C -1.566 173.523 174.900 0.314 0.000 1.478 323 G CA -0.710 44.564 45.100 0.290 0.000 1.062 323 G HN 0.756 nan 8.290 nan 0.000 0.532 324 S N 0.859 116.708 115.700 0.248 0.000 2.632 324 S HA 0.871 5.341 4.470 -0.000 0.000 0.289 324 S C -1.480 173.315 174.600 0.324 0.000 1.115 324 S CA -1.003 57.362 58.200 0.276 0.000 0.889 324 S CB 2.513 65.871 63.200 0.262 0.000 1.116 324 S HN 1.188 nan 8.310 nan 0.000 0.486 325 Y N -0.084 120.323 120.300 0.178 0.000 2.521 325 Y HA 0.615 5.165 4.550 -0.000 0.000 0.332 325 Y C -2.036 174.015 175.900 0.253 0.000 1.121 325 Y CA -0.834 57.385 58.100 0.197 0.000 1.037 325 Y CB 1.503 40.073 38.460 0.184 0.000 1.330 325 Y HN 0.794 nan 8.280 nan 0.000 0.452 326 V N 4.138 123.849 119.914 -0.339 0.000 2.760 326 V HA 0.987 5.106 4.120 -0.000 0.000 0.309 326 V C -0.943 174.900 176.094 -0.419 0.000 1.077 326 V CA -0.262 61.952 62.300 -0.142 0.000 0.910 326 V CB 1.598 33.601 31.823 0.299 0.000 1.008 326 V HN 1.043 nan 8.190 nan 0.000 0.424 327 A N 4.450 127.076 122.820 -0.323 0.000 2.547 327 A HA 1.016 5.336 4.320 -0.000 0.000 0.297 327 A C -1.352 175.958 177.584 -0.457 0.000 1.056 327 A CA -0.503 51.206 52.037 -0.547 0.000 0.688 327 A CB 1.762 20.361 19.000 -0.669 0.000 1.282 327 A HN 1.549 nan 8.150 nan 0.000 0.400 328 F N -0.562 118.935 119.950 -0.756 0.000 2.668 328 F HA 0.835 5.362 4.527 -0.000 0.000 0.309 328 F C -1.460 173.959 175.800 -0.634 0.000 1.117 328 F CA -1.258 56.367 58.000 -0.625 0.000 0.951 328 F CB 1.272 39.976 39.000 -0.494 0.000 1.323 328 F HN 0.325 nan 8.300 nan 0.000 0.451 329 I N 2.525 122.903 120.570 -0.320 0.000 2.466 329 I HA 0.316 4.486 4.170 -0.000 0.000 0.279 329 I C -2.155 173.846 176.117 -0.193 0.000 1.033 329 I CA -1.890 59.185 61.300 -0.374 0.000 1.123 329 I CB 1.796 39.416 38.000 -0.633 0.000 1.237 329 I HN 0.379 nan 8.210 nan 0.000 0.460 330 P HA -0.239 nan 4.420 nan 0.000 0.216 330 P C 1.423 178.652 177.300 -0.119 0.000 1.157 330 P CA 1.334 64.390 63.100 -0.074 0.000 0.880 330 P CB 0.303 31.973 31.700 -0.050 0.000 0.791 331 E N -0.147 119.980 120.200 -0.121 0.000 2.209 331 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 331 E C 1.134 177.659 176.600 -0.124 0.000 0.993 331 E CA 1.094 57.434 56.400 -0.099 0.000 0.819 331 E CB -0.097 29.569 29.700 -0.056 0.000 0.745 331 E HN 0.241 nan 8.360 nan 0.000 0.477 332 K N -0.113 120.176 120.400 -0.185 0.000 2.358 332 K HA 0.067 4.387 4.320 -0.000 0.000 0.200 332 K C -0.218 176.262 176.600 -0.199 0.000 1.030 332 K CA -0.045 56.127 56.287 -0.191 0.000 1.097 332 K CB 0.837 33.190 32.500 -0.246 0.000 0.862 332 K HN -0.029 nan 8.250 nan 0.000 0.534 333 E N 0.899 120.989 120.200 -0.182 0.000 2.389 333 E HA -0.220 4.130 4.350 -0.000 0.000 0.243 333 E C -0.933 175.559 176.600 -0.180 0.000 1.154 333 E CA 0.564 56.856 56.400 -0.180 0.000 0.723 333 E CB -1.187 28.405 29.700 -0.179 0.000 1.261 333 E HN 0.146 nan 8.360 nan 0.000 0.390 334 L N -0.591 120.527 121.223 -0.176 0.000 2.362 334 L HA 0.796 5.136 4.340 -0.000 0.000 0.271 334 L C 0.235 177.028 176.870 -0.128 0.000 1.002 334 L CA 0.375 55.132 54.840 -0.137 0.000 0.818 334 L CB 2.042 44.002 42.059 -0.165 0.000 1.298 334 L HN 0.085 nan 8.230 nan 0.000 0.420 335 G N 4.003 112.761 108.800 -0.069 0.000 2.576 335 G HA2 0.601 4.561 3.960 -0.000 0.000 0.290 335 G HA3 0.601 4.561 3.960 -0.000 0.000 0.290 335 G C -2.248 172.651 174.900 -0.002 0.000 1.442 335 G CA -0.422 44.641 45.100 -0.062 0.000 0.792 335 G HN 0.797 nan 8.290 nan 0.000 0.491 336 I N -0.340 120.236 120.570 0.010 0.000 2.841 336 I HA 0.673 4.843 4.170 -0.000 0.000 0.298 336 I C -1.414 174.770 176.117 0.113 0.000 1.304 336 I CA -0.977 60.376 61.300 0.087 0.000 1.019 336 I CB 2.326 40.397 38.000 0.119 0.000 1.282 336 I HN 0.419 nan 8.210 nan 0.000 0.432 337 V N 7.108 127.126 119.914 0.173 0.000 2.638 337 V HA 0.535 4.655 4.120 -0.000 0.000 0.306 337 V C -0.564 175.666 176.094 0.226 0.000 1.052 337 V CA -0.442 61.977 62.300 0.198 0.000 0.885 337 V CB 1.890 33.843 31.823 0.216 0.000 0.999 337 V HN 0.641 nan 8.190 nan 0.000 0.424 338 M N 6.127 125.872 119.600 0.241 0.000 2.093 338 M HA 0.596 5.076 4.480 -0.000 0.000 0.297 338 M C -1.389 175.022 176.300 0.185 0.000 0.938 338 M CA -0.147 55.297 55.300 0.240 0.000 0.920 338 M CB 1.795 34.586 32.600 0.317 0.000 1.517 338 M HN 0.392 nan 8.290 nan 0.000 0.427 339 L N 2.940 124.178 121.223 0.025 0.000 2.333 339 L HA 0.977 5.317 4.340 -0.000 0.000 0.280 339 L C -0.370 176.407 176.870 -0.155 0.000 1.004 339 L CA -0.703 54.029 54.840 -0.180 0.000 0.820 339 L CB 1.751 43.367 42.059 -0.738 0.000 1.247 339 L HN 0.769 nan 8.230 nan 0.000 0.416 340 A N 1.989 124.971 122.820 0.270 0.000 2.414 340 A HA 0.593 4.913 4.320 -0.000 0.000 0.306 340 A C -0.467 177.489 177.584 0.621 0.000 1.054 340 A CA -0.780 51.525 52.037 0.447 0.000 0.724 340 A CB 1.243 20.460 19.000 0.361 0.000 1.267 340 A HN 0.757 nan 8.150 nan 0.000 0.418 341 N N 1.435 120.419 118.700 0.473 0.000 3.052 341 N HA 0.215 4.955 4.740 -0.000 0.000 0.302 341 N C -0.504 174.958 175.510 -0.081 0.000 1.332 341 N CA -0.099 52.889 53.050 -0.104 0.000 1.129 341 N CB 0.139 38.547 38.487 -0.130 0.000 1.436 341 N HN 0.617 nan 8.380 nan 0.000 0.536 342 K N 0.169 120.630 120.400 0.102 0.000 2.569 342 K HA 0.151 4.471 4.320 -0.000 0.000 0.259 342 K C -1.826 174.954 176.600 0.300 0.000 0.932 342 K CA -0.516 55.867 56.287 0.159 0.000 0.833 342 K CB 1.443 34.030 32.500 0.145 0.000 1.340 342 K HN 0.225 nan 8.250 nan 0.000 0.429 343 N N 4.308 123.152 118.700 0.240 0.000 2.482 343 N HA 0.106 4.846 4.740 -0.000 0.000 0.242 343 N C -1.103 174.544 175.510 0.229 0.000 1.100 343 N CA -0.432 52.751 53.050 0.221 0.000 0.946 343 N CB 0.268 38.846 38.487 0.152 0.000 1.227 343 N HN 0.376 nan 8.380 nan 0.000 0.508 344 Y N 1.976 122.319 120.300 0.072 0.000 2.534 344 Y HA 0.674 5.223 4.550 -0.000 0.000 0.329 344 Y C -2.656 173.263 175.900 0.032 0.000 1.154 344 Y CA -3.577 54.549 58.100 0.043 0.000 1.192 344 Y CB -0.755 37.724 38.460 0.032 0.000 1.275 344 Y HN 0.334 nan 8.280 nan 0.000 0.491 345 P HA -0.050 nan 4.420 nan 0.000 0.261 345 P C 0.214 177.394 177.300 -0.200 0.000 1.165 345 P CA 0.503 63.566 63.100 -0.063 0.000 0.759 345 P CB 0.671 32.381 31.700 0.017 0.000 0.772 346 N N 4.738 123.324 118.700 -0.190 0.000 2.104 346 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 346 N C -0.888 174.506 175.510 -0.193 0.000 1.024 346 N CA 1.777 54.691 53.050 -0.227 0.000 0.853 346 N CB -1.759 36.628 38.487 -0.167 0.000 1.008 346 N HN 0.442 nan 8.380 nan 0.000 0.424 347 P HA -0.086 nan 4.420 nan 0.000 0.216 347 P C 1.118 178.389 177.300 -0.047 0.000 1.150 347 P CA 1.561 64.613 63.100 -0.080 0.000 0.843 347 P CB -0.055 31.614 31.700 -0.052 0.000 0.787 348 A N -0.259 122.556 122.820 -0.007 0.000 1.969 348 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 348 A C 2.180 179.827 177.584 0.106 0.000 1.169 348 A CA 1.358 53.445 52.037 0.083 0.000 0.635 348 A CB -0.883 18.235 19.000 0.197 0.000 0.810 348 A HN 0.117 nan 8.150 nan 0.000 0.445 349 R N -0.652 119.843 120.500 -0.008 0.000 2.062 349 R HA -0.049 4.291 4.340 -0.000 0.000 0.231 349 R C 2.000 178.228 176.300 -0.120 0.000 1.136 349 R CA 1.458 57.536 56.100 -0.036 0.000 0.948 349 R CB -0.705 29.430 30.300 -0.275 0.000 0.845 349 R HN 0.353 nan 8.270 nan 0.000 0.430 350 V N 1.842 121.582 119.914 -0.291 0.000 2.343 350 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 350 V C 1.979 178.149 176.094 0.126 0.000 1.051 350 V CA 2.175 64.367 62.300 -0.182 0.000 1.036 350 V CB -0.612 31.112 31.823 -0.165 0.000 0.654 350 V HN 0.336 nan 8.190 nan 0.000 0.451 351 D N 0.598 121.047 120.400 0.082 0.000 2.104 351 D HA -0.187 4.452 4.640 -0.000 0.000 0.194 351 D C 2.099 178.540 176.300 0.234 0.000 0.994 351 D CA 1.740 55.833 54.000 0.154 0.000 0.830 351 D CB -0.177 40.673 40.800 0.085 0.000 0.959 351 D HN 0.362 nan 8.370 nan 0.000 0.452 352 A N 0.443 123.369 122.820 0.178 0.000 1.902 352 A HA 0.045 4.365 4.320 -0.000 0.000 0.217 352 A C 2.420 180.144 177.584 0.234 0.000 1.181 352 A CA 2.290 54.427 52.037 0.168 0.000 0.623 352 A CB -1.195 17.882 19.000 0.129 0.000 0.818 352 A HN 0.360 nan 8.150 nan 0.000 0.443 353 A N -1.079 121.944 122.820 0.338 0.000 1.902 353 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 353 A C 2.123 180.021 177.584 0.523 0.000 1.181 353 A CA 1.441 53.760 52.037 0.471 0.000 0.623 353 A CB -0.966 18.501 19.000 0.778 0.000 0.818 353 A HN 0.890 nan 8.150 nan 0.000 0.443 354 W N 0.655 122.184 121.300 0.382 0.000 2.355 354 W HA -0.202 4.458 4.660 -0.000 0.000 0.309 354 W C 1.892 178.550 176.519 0.232 0.000 1.206 354 W CA 2.035 59.565 57.345 0.308 0.000 1.284 354 W CB -0.324 29.184 29.460 0.080 0.000 1.145 354 W HN 0.394 nan 8.180 nan 0.000 0.502 355 Q N 0.694 120.537 119.800 0.072 0.000 2.096 355 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 355 Q C 2.274 178.213 176.000 -0.101 0.000 0.982 355 Q CA 2.169 57.937 55.803 -0.058 0.000 0.850 355 Q CB -0.848 27.932 28.738 0.069 0.000 0.901 355 Q HN 0.505 nan 8.270 nan 0.000 0.422 356 I N 0.252 120.817 120.570 -0.008 0.000 2.133 356 I HA -0.260 3.910 4.170 -0.000 0.000 0.238 356 I C 2.333 178.433 176.117 -0.027 0.000 1.074 356 I CA 0.900 62.194 61.300 -0.010 0.000 1.342 356 I CB -0.333 37.687 38.000 0.034 0.000 1.053 356 I HN 0.122 nan 8.210 nan 0.000 0.404 357 L N 0.421 121.653 121.223 0.016 0.000 2.141 357 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 357 L C 2.255 179.078 176.870 -0.078 0.000 1.094 357 L CA 1.336 56.180 54.840 0.006 0.000 0.763 357 L CB -0.787 41.322 42.059 0.084 0.000 0.908 357 L HN 0.343 nan 8.230 nan 0.000 0.437 358 N N 0.470 118.989 118.700 -0.301 0.000 2.244 358 N HA -0.128 4.612 4.740 -0.000 0.000 0.183 358 N C 1.764 177.176 175.510 -0.164 0.000 1.016 358 N CA 1.283 54.096 53.050 -0.395 0.000 0.866 358 N CB 0.062 37.868 38.487 -1.135 0.000 0.980 358 N HN 0.263 nan 8.380 nan 0.000 0.430 359 A N 0.039 122.773 122.820 -0.143 0.000 1.930 359 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 359 A C 2.061 179.636 177.584 -0.014 0.000 1.175 359 A CA 0.839 52.837 52.037 -0.065 0.000 0.627 359 A CB -0.466 18.495 19.000 -0.064 0.000 0.815 359 A HN 0.351 nan 8.150 nan 0.000 0.443 360 L N -1.002 120.225 121.223 0.006 0.000 2.446 360 L HA 0.090 4.430 4.340 -0.000 0.000 0.219 360 L C 2.165 179.122 176.870 0.146 0.000 1.116 360 L CA 0.266 55.162 54.840 0.095 0.000 0.844 360 L CB -0.921 41.217 42.059 0.130 0.000 0.970 360 L HN 0.610 nan 8.230 nan 0.000 0.457 361 Q N 0.000 119.848 119.800 0.080 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.857 55.803 0.090 0.000 1.022 361 Q CB 0.000 28.852 28.738 0.190 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481