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 2zs8_1_A DATA FIRST_RESID 6 DATA SEQUENCE EPSPYVEFDR RQWRALRMST PLALTEEELV GLRGLGEQID LLEVEEVYLP DATA SEQUENCE LARLIHLQVA ARQRLFAATA EFLGEPQQNP DRPVPFIIGV AGSVAVGKST DATA SEQUENCE TARVLQALLA RWDHHPRVDL VTTDGFLYPN AELQRRNLMH RKGFPESYNR DATA SEQUENCE RALMRFVTSV KSGSDYACAP VYSHLHYDII PGAEQVVRHP DILILEGLNV DATA SEQUENCE LQTGPTLMVS DLFDFSLYVD ARIEDIEQWY VSRFLAMRTT AFADPESHFH DATA SEQUENCE HYAAFSDSQA VVAAREIWRT INRPNLVENI LPTRPRATLV LRKDADHSIN DATA SEQUENCE RLRLRKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.594 176.600 -0.010 0.000 1.382 6 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 6 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 7 P HA 0.224 nan 4.420 nan 0.000 0.269 7 P C -0.859 176.424 177.300 -0.028 0.000 1.215 7 P CA -0.397 62.690 63.100 -0.022 0.000 0.780 7 P CB 1.490 33.174 31.700 -0.027 0.000 0.898 8 S N 0.545 116.224 115.700 -0.034 0.000 2.599 8 S HA 0.574 5.045 4.470 0.001 0.000 0.287 8 S C -2.232 172.296 174.600 -0.122 0.000 1.105 8 S CA -1.265 56.904 58.200 -0.053 0.000 0.899 8 S CB 1.613 64.827 63.200 0.024 0.000 1.100 8 S HN 0.200 nan 8.310 nan 0.000 0.482 9 P HA 0.226 nan 4.420 nan 0.000 0.239 9 P C -0.759 176.343 177.300 -0.330 0.000 1.188 9 P CA 0.505 63.379 63.100 -0.377 0.000 0.794 9 P CB -0.026 31.302 31.700 -0.620 0.000 0.937 10 Y N -1.246 119.047 120.300 -0.011 0.000 2.458 10 Y HA 0.519 5.070 4.550 0.001 0.000 0.322 10 Y C 0.322 176.213 175.900 -0.014 0.000 1.259 10 Y CA -1.298 56.800 58.100 -0.004 0.000 1.302 10 Y CB 1.249 39.699 38.460 -0.017 0.000 1.314 10 Y HN -0.402 nan 8.280 nan 0.000 0.509 11 V N 1.573 121.596 119.914 0.182 0.000 2.711 11 V HA 0.377 4.497 4.120 0.001 0.000 0.304 11 V C -1.245 174.803 176.094 -0.078 0.000 1.097 11 V CA -0.485 61.812 62.300 -0.004 0.000 0.906 11 V CB 1.627 33.427 31.823 -0.038 0.000 1.015 11 V HN 0.897 nan 8.190 nan 0.000 0.427 12 E N 5.326 125.402 120.200 -0.206 0.000 2.232 12 E HA 0.713 5.064 4.350 0.001 0.000 0.265 12 E C -1.598 174.752 176.600 -0.417 0.000 1.001 12 E CA -0.481 55.829 56.400 -0.151 0.000 0.870 12 E CB 2.238 31.900 29.700 -0.063 0.000 1.175 12 E HN 0.570 nan 8.360 nan 0.000 0.407 13 F N 0.053 120.048 119.950 0.074 0.000 2.664 13 F HA 0.262 4.789 4.527 0.001 0.000 0.317 13 F C -0.593 175.247 175.800 0.067 0.000 1.108 13 F CA -0.985 57.086 58.000 0.117 0.000 0.957 13 F CB 1.532 40.686 39.000 0.257 0.000 1.365 13 F HN 0.415 nan 8.300 nan 0.000 0.475 14 D N -1.054 119.535 120.400 0.314 0.000 2.423 14 D HA 0.366 5.006 4.640 0.001 0.000 0.235 14 D C 0.583 177.021 176.300 0.230 0.000 1.011 14 D CA -0.896 53.217 54.000 0.187 0.000 0.963 14 D CB 1.328 42.204 40.800 0.128 0.000 1.349 14 D HN 0.474 nan 8.370 nan 0.000 0.508 15 R N -0.167 120.427 120.500 0.158 0.000 2.105 15 R HA -0.114 4.227 4.340 0.001 0.000 0.239 15 R C 2.022 178.436 176.300 0.189 0.000 1.135 15 R CA 1.313 57.516 56.100 0.172 0.000 0.967 15 R CB 0.023 30.391 30.300 0.113 0.000 0.861 15 R HN 0.433 nan 8.270 nan 0.000 0.442 16 R N 0.335 120.926 120.500 0.151 0.000 2.122 16 R HA -0.239 4.102 4.340 0.001 0.000 0.236 16 R C 2.367 178.755 176.300 0.147 0.000 1.129 16 R CA 2.463 58.639 56.100 0.127 0.000 0.925 16 R CB -0.478 29.884 30.300 0.104 0.000 0.850 16 R HN 0.528 nan 8.270 nan 0.000 0.431 17 Q N -0.565 119.356 119.800 0.201 0.000 2.224 17 Q HA -0.185 4.155 4.340 0.001 0.000 0.203 17 Q C 2.026 178.164 176.000 0.230 0.000 0.970 17 Q CA 1.039 56.984 55.803 0.236 0.000 0.865 17 Q CB -0.402 28.535 28.738 0.331 0.000 0.922 17 Q HN 0.557 nan 8.270 nan 0.000 0.445 18 W N 3.890 125.223 121.300 0.054 0.000 2.381 18 W HA -0.151 4.510 4.660 0.002 0.000 0.301 18 W C 2.067 178.521 176.519 -0.107 0.000 1.205 18 W CA 1.841 59.088 57.345 -0.165 0.000 1.285 18 W CB 0.030 29.367 29.460 -0.204 0.000 1.133 18 W HN 0.185 nan 8.180 nan 0.000 0.521 19 R N 0.754 121.289 120.500 0.057 0.000 2.120 19 R HA -0.079 4.262 4.340 0.001 0.000 0.234 19 R C 2.138 178.379 176.300 -0.098 0.000 1.123 19 R CA 1.709 57.800 56.100 -0.015 0.000 0.975 19 R CB -1.376 28.965 30.300 0.070 0.000 0.866 19 R HN 0.009 nan 8.270 nan 0.000 0.446 20 A N 1.410 124.185 122.820 -0.074 0.000 2.076 20 A HA -0.050 4.270 4.320 0.001 0.000 0.220 20 A C 1.758 179.258 177.584 -0.140 0.000 1.160 20 A CA 0.901 52.895 52.037 -0.071 0.000 0.653 20 A CB -0.182 18.805 19.000 -0.021 0.000 0.801 20 A HN 0.234 nan 8.150 nan 0.000 0.455 21 L N -0.469 120.587 121.223 -0.278 0.000 2.627 21 L HA 0.119 4.460 4.340 0.001 0.000 0.233 21 L C 2.132 178.815 176.870 -0.310 0.000 1.144 21 L CA 0.881 55.512 54.840 -0.349 0.000 0.892 21 L CB -0.936 40.752 42.059 -0.620 0.000 1.039 21 L HN 0.503 nan 8.230 nan 0.000 0.442 22 R N -0.450 119.915 120.500 -0.226 0.000 2.062 22 R HA -0.047 4.294 4.340 0.001 0.000 0.229 22 R C 0.673 176.922 176.300 -0.085 0.000 1.128 22 R CA 0.689 56.702 56.100 -0.145 0.000 0.960 22 R CB 0.225 30.477 30.300 -0.081 0.000 0.855 22 R HN 0.098 nan 8.270 nan 0.000 0.432 23 M N -1.072 118.488 119.600 -0.066 0.000 7.319 23 M HA -0.293 4.188 4.480 0.001 0.000 0.134 23 M C 1.235 177.530 176.300 -0.008 0.000 0.480 23 M CA 1.764 57.043 55.300 -0.034 0.000 1.311 23 M CB -2.135 30.443 32.600 -0.035 0.000 0.421 23 M HN 0.238 nan 8.290 nan 0.000 0.325 24 S N -0.081 115.624 115.700 0.008 0.000 2.515 24 S HA 0.008 4.478 4.470 0.001 0.000 0.231 24 S C 0.330 174.958 174.600 0.047 0.000 0.987 24 S CA 1.186 59.401 58.200 0.025 0.000 0.936 24 S CB -0.482 62.736 63.200 0.030 0.000 0.766 24 S HN 0.597 nan 8.310 nan 0.000 0.528 25 T N 5.594 120.176 114.554 0.048 0.000 2.596 25 T HA 0.025 4.376 4.350 0.001 0.000 0.252 25 T C -2.408 172.339 174.700 0.078 0.000 1.033 25 T CA -0.258 61.887 62.100 0.076 0.000 1.215 25 T CB 0.148 69.032 68.868 0.026 0.000 1.011 25 T HN 0.447 nan 8.240 nan 0.000 0.498 26 P HA 0.223 nan 4.420 nan 0.000 0.275 26 P C -0.510 176.843 177.300 0.090 0.000 1.227 26 P CA -0.830 62.323 63.100 0.089 0.000 0.781 26 P CB 0.798 32.554 31.700 0.092 0.000 0.906 27 L N 3.062 124.324 121.223 0.065 0.000 2.260 27 L HA 0.494 4.835 4.340 0.001 0.000 0.289 27 L C 0.548 177.451 176.870 0.055 0.000 1.057 27 L CA -0.113 54.762 54.840 0.058 0.000 0.811 27 L CB 0.148 42.232 42.059 0.041 0.000 1.184 27 L HN 0.498 nan 8.230 nan 0.000 0.429 28 A N 5.645 128.503 122.820 0.064 0.000 2.637 28 A HA 0.500 4.821 4.320 0.001 0.000 0.293 28 A C -0.566 177.042 177.584 0.041 0.000 1.216 28 A CA -0.250 51.823 52.037 0.060 0.000 0.956 28 A CB -0.223 18.831 19.000 0.091 0.000 1.174 28 A HN 0.532 nan 8.150 nan 0.000 0.525 29 L N 0.749 121.986 121.223 0.025 0.000 2.386 29 L HA 0.627 4.968 4.340 0.001 0.000 0.271 29 L C 0.497 177.364 176.870 -0.004 0.000 0.993 29 L CA 0.173 55.016 54.840 0.005 0.000 0.819 29 L CB 2.166 44.218 42.059 -0.011 0.000 1.294 29 L HN 0.350 nan 8.230 nan 0.000 0.414 30 T N -0.855 113.692 114.554 -0.011 0.000 2.880 30 T HA 0.386 4.737 4.350 0.001 0.000 0.279 30 T C 0.750 175.435 174.700 -0.024 0.000 0.990 30 T CA -0.576 61.516 62.100 -0.014 0.000 0.938 30 T CB 0.982 69.843 68.868 -0.013 0.000 1.206 30 T HN 0.573 nan 8.240 nan 0.000 0.573 31 E N -0.007 120.178 120.200 -0.024 0.000 2.076 31 E HA -0.098 4.253 4.350 0.001 0.000 0.190 31 E C 2.052 178.631 176.600 -0.034 0.000 0.979 31 E CA 0.556 56.938 56.400 -0.031 0.000 0.807 31 E CB -0.028 29.656 29.700 -0.027 0.000 0.761 31 E HN 0.749 nan 8.360 nan 0.000 0.454 32 E N 1.058 121.241 120.200 -0.029 0.000 2.058 32 E HA -0.227 4.124 4.350 0.001 0.000 0.194 32 E C 1.871 178.451 176.600 -0.033 0.000 0.997 32 E CA 1.170 57.553 56.400 -0.029 0.000 0.801 32 E CB 0.118 29.804 29.700 -0.024 0.000 0.746 32 E HN 0.265 nan 8.360 nan 0.000 0.450 33 E N 0.315 120.497 120.200 -0.030 0.000 2.023 33 E HA -0.228 4.122 4.350 0.001 0.000 0.196 33 E C 2.197 178.770 176.600 -0.045 0.000 1.003 33 E CA 1.127 57.508 56.400 -0.032 0.000 0.809 33 E CB -0.244 29.441 29.700 -0.025 0.000 0.755 33 E HN 0.135 nan 8.360 nan 0.000 0.449 34 L N 1.078 122.268 121.223 -0.054 0.000 2.051 34 L HA -0.213 4.128 4.340 0.001 0.000 0.214 34 L C 2.250 179.074 176.870 -0.078 0.000 1.076 34 L CA 1.535 56.329 54.840 -0.077 0.000 0.758 34 L CB -0.681 41.328 42.059 -0.083 0.000 0.890 34 L HN -0.006 nan 8.230 nan 0.000 0.433 35 V N 0.257 120.131 119.914 -0.066 0.000 2.282 35 V HA -0.261 3.860 4.120 0.001 0.000 0.249 35 V C 2.385 178.441 176.094 -0.064 0.000 1.057 35 V CA 1.965 64.225 62.300 -0.067 0.000 1.032 35 V CB -1.416 30.373 31.823 -0.057 0.000 0.645 35 V HN 0.674 nan 8.190 nan 0.000 0.447 36 G N -1.541 107.227 108.800 -0.053 0.000 2.882 36 G HA2 0.015 3.976 3.960 0.001 0.000 0.206 36 G HA3 0.015 3.976 3.960 0.001 0.000 0.206 36 G C 1.182 176.053 174.900 -0.048 0.000 1.155 36 G CA 0.182 45.253 45.100 -0.047 0.000 0.800 36 G HN 0.500 nan 8.290 nan 0.000 0.524 37 L N -1.375 119.812 121.223 -0.060 0.000 2.609 37 L HA 0.318 4.659 4.340 0.001 0.000 0.230 37 L C 1.489 178.316 176.870 -0.073 0.000 1.064 37 L CA -0.354 54.450 54.840 -0.061 0.000 0.873 37 L CB 0.235 42.250 42.059 -0.072 0.000 1.139 37 L HN 0.024 nan 8.230 nan 0.000 0.490 38 R N 1.156 121.605 120.500 -0.086 0.000 2.491 38 R HA 0.305 4.646 4.340 0.001 0.000 0.283 38 R C 0.058 176.301 176.300 -0.095 0.000 1.072 38 R CA 0.075 56.117 56.100 -0.098 0.000 1.048 38 R CB 0.938 31.171 30.300 -0.111 0.000 0.983 38 R HN 0.056 nan 8.270 nan 0.000 0.450 39 G N 2.844 111.585 108.800 -0.099 0.000 2.437 39 G HA2 0.272 4.233 3.960 0.001 0.000 0.319 39 G HA3 0.272 4.233 3.960 0.001 0.000 0.319 39 G C -0.887 173.935 174.900 -0.130 0.000 1.158 39 G CA -0.837 44.203 45.100 -0.100 0.000 0.899 39 G HN 0.516 nan 8.290 nan 0.000 0.502 40 L N 1.163 122.307 121.223 -0.131 0.000 2.640 40 L HA 0.332 4.673 4.340 0.001 0.000 0.280 40 L C 1.606 178.368 176.870 -0.179 0.000 1.229 40 L CA 2.232 56.981 54.840 -0.152 0.000 0.919 40 L CB 0.285 42.250 42.059 -0.157 0.000 1.168 40 L HN 1.406 nan 8.230 nan 0.000 0.496 41 G N 2.532 111.197 108.800 -0.226 0.000 2.268 41 G HA2 -0.221 3.740 3.960 0.001 0.000 0.240 41 G HA3 -0.221 3.740 3.960 0.001 0.000 0.240 41 G C 0.366 174.924 174.900 -0.570 0.000 1.010 41 G CA 0.112 45.011 45.100 -0.336 0.000 0.618 41 G HN 0.593 nan 8.290 nan 0.000 0.516 42 E N 0.837 120.790 120.200 -0.411 0.000 2.360 42 E HA 0.304 4.655 4.350 0.001 0.000 0.269 42 E C 0.984 177.360 176.600 -0.374 0.000 1.022 42 E CA -0.112 56.035 56.400 -0.423 0.000 0.887 42 E CB 0.822 30.393 29.700 -0.214 0.000 0.990 42 E HN 0.464 nan 8.360 nan 0.000 0.426 43 Q N 1.633 121.209 119.800 -0.373 0.000 2.319 43 Q HA 0.191 4.532 4.340 0.001 0.000 0.202 43 Q C 0.896 176.818 176.000 -0.129 0.000 0.896 43 Q CA -0.406 55.257 55.803 -0.235 0.000 0.942 43 Q CB 0.272 28.885 28.738 -0.208 0.000 1.083 43 Q HN 0.576 nan 8.270 nan 0.000 0.510 44 I N 3.652 124.154 120.570 -0.113 0.000 2.845 44 I HA -0.176 3.995 4.170 0.001 0.000 0.296 44 I C -0.467 175.601 176.117 -0.082 0.000 1.216 44 I CA 0.423 61.676 61.300 -0.078 0.000 1.438 44 I CB 0.405 38.341 38.000 -0.106 0.000 1.342 44 I HN 0.100 nan 8.210 nan 0.000 0.577 45 D N 5.574 125.942 120.400 -0.053 0.000 2.531 45 D HA 0.214 4.855 4.640 0.001 0.000 0.244 45 D C 0.686 176.965 176.300 -0.036 0.000 1.090 45 D CA -0.744 53.228 54.000 -0.046 0.000 0.989 45 D CB 0.973 41.756 40.800 -0.029 0.000 1.433 45 D HN 0.420 nan 8.370 nan 0.000 0.492 46 L N -0.331 120.874 121.223 -0.030 0.000 2.129 46 L HA -0.169 4.172 4.340 0.001 0.000 0.212 46 L C 2.181 179.058 176.870 0.012 0.000 1.087 46 L CA 0.836 55.666 54.840 -0.017 0.000 0.757 46 L CB -0.481 41.571 42.059 -0.012 0.000 0.896 46 L HN 0.397 nan 8.230 nan 0.000 0.434 47 L N 0.360 121.594 121.223 0.018 0.000 1.989 47 L HA -0.259 4.082 4.340 0.001 0.000 0.211 47 L C 2.487 179.398 176.870 0.068 0.000 1.071 47 L CA 2.020 56.883 54.840 0.039 0.000 0.749 47 L CB -0.590 41.489 42.059 0.033 0.000 0.890 47 L HN 0.247 nan 8.230 nan 0.000 0.431 48 E N -1.050 119.194 120.200 0.073 0.000 2.118 48 E HA -0.203 4.148 4.350 0.001 0.000 0.195 48 E C 1.976 178.707 176.600 0.217 0.000 0.992 48 E CA 1.641 58.122 56.400 0.134 0.000 0.804 48 E CB -0.039 29.736 29.700 0.126 0.000 0.741 48 E HN 0.429 nan 8.360 nan 0.000 0.458 49 V N 0.932 120.921 119.914 0.126 0.000 2.759 49 V HA -0.200 3.921 4.120 0.001 0.000 0.256 49 V C 1.866 178.062 176.094 0.170 0.000 1.080 49 V CA 1.845 64.221 62.300 0.127 0.000 1.101 49 V CB -0.424 31.375 31.823 -0.040 0.000 0.698 49 V HN 0.272 nan 8.190 nan 0.000 0.477 50 E N 0.006 120.280 120.200 0.124 0.000 2.075 50 E HA -0.075 4.275 4.350 0.001 0.000 0.190 50 E C 2.051 178.720 176.600 0.115 0.000 0.969 50 E CA 0.790 57.250 56.400 0.100 0.000 0.815 50 E CB 0.006 29.745 29.700 0.066 0.000 0.776 50 E HN 0.675 nan 8.360 nan 0.000 0.457 51 E N 0.252 120.532 120.200 0.134 0.000 2.481 51 E HA -0.020 4.330 4.350 0.001 0.000 0.195 51 E C 1.396 178.158 176.600 0.270 0.000 1.047 51 E CA 0.364 56.856 56.400 0.154 0.000 0.867 51 E CB 0.850 30.629 29.700 0.132 0.000 0.858 51 E HN 0.066 nan 8.360 nan 0.000 0.513 52 V N -0.844 119.238 119.914 0.280 0.000 3.102 52 V HA -0.056 4.065 4.120 0.001 0.000 0.225 52 V C 1.204 177.442 176.094 0.242 0.000 1.301 52 V CA 0.254 62.728 62.300 0.292 0.000 1.308 52 V CB -0.208 31.652 31.823 0.062 0.000 1.129 52 V HN 0.093 nan 8.190 nan 0.000 0.502 53 Y N 0.546 120.932 120.300 0.143 0.000 2.439 53 Y HA 0.057 4.608 4.550 0.001 0.000 0.292 53 Y C 2.141 178.084 175.900 0.071 0.000 1.130 53 Y CA 1.143 59.300 58.100 0.096 0.000 1.254 53 Y CB -0.203 38.283 38.460 0.044 0.000 1.000 53 Y HN 0.161 nan 8.280 nan 0.000 0.554 54 L N -0.317 121.020 121.223 0.190 0.000 2.068 54 L HA -0.069 4.272 4.340 0.001 0.000 0.204 54 L C -0.458 176.407 176.870 -0.009 0.000 1.076 54 L CA 0.801 55.688 54.840 0.078 0.000 0.753 54 L CB -1.541 40.556 42.059 0.063 0.000 0.910 54 L HN 0.087 nan 8.230 nan 0.000 0.439 55 P HA -0.194 nan 4.420 nan 0.000 0.218 55 P C 1.657 178.857 177.300 -0.168 0.000 1.148 55 P CA 1.157 64.076 63.100 -0.301 0.000 0.822 55 P CB 0.104 31.338 31.700 -0.778 0.000 0.784 56 L N -0.427 120.860 121.223 0.107 0.000 2.044 56 L HA 0.030 4.371 4.340 0.001 0.000 0.205 56 L C 2.203 178.995 176.870 -0.129 0.000 1.075 56 L CA 1.911 56.818 54.840 0.112 0.000 0.747 56 L CB -1.532 40.590 42.059 0.105 0.000 0.903 56 L HN -0.137 nan 8.230 nan 0.000 0.435 57 A N -0.182 122.564 122.820 -0.122 0.000 1.940 57 A HA -0.244 4.077 4.320 0.001 0.000 0.219 57 A C 2.519 179.901 177.584 -0.337 0.000 1.176 57 A CA 1.819 53.703 52.037 -0.255 0.000 0.631 57 A CB -0.671 18.251 19.000 -0.131 0.000 0.814 57 A HN 0.538 nan 8.150 nan 0.000 0.446 58 R N -0.777 119.593 120.500 -0.216 0.000 2.082 58 R HA -0.161 4.180 4.340 0.001 0.000 0.228 58 R C 2.145 178.306 176.300 -0.233 0.000 1.140 58 R CA 1.849 57.825 56.100 -0.206 0.000 0.920 58 R CB -0.649 29.549 30.300 -0.170 0.000 0.828 58 R HN 0.422 nan 8.270 nan 0.000 0.430 59 L N 1.632 122.729 121.223 -0.210 0.000 2.011 59 L HA -0.265 4.075 4.340 0.001 0.000 0.225 59 L C 2.170 178.874 176.870 -0.277 0.000 1.084 59 L CA 1.966 56.704 54.840 -0.169 0.000 0.791 59 L CB -0.805 41.215 42.059 -0.066 0.000 0.898 59 L HN 0.398 nan 8.230 nan 0.000 0.440 60 I N -1.133 119.142 120.570 -0.491 0.000 2.185 60 I HA -0.423 3.748 4.170 0.001 0.000 0.246 60 I C 2.419 178.144 176.117 -0.654 0.000 1.088 60 I CA 1.982 62.866 61.300 -0.693 0.000 1.347 60 I CB -0.501 37.000 38.000 -0.831 0.000 1.041 60 I HN 0.484 nan 8.210 nan 0.000 0.415 61 H N 0.105 118.867 119.070 -0.513 0.000 2.389 61 H HA -0.089 4.468 4.556 0.001 0.000 0.299 61 H C 2.298 177.448 175.328 -0.296 0.000 1.081 61 H CA 1.063 56.811 56.048 -0.500 0.000 1.345 61 H CB 0.033 29.371 29.762 -0.708 0.000 1.393 61 H HN 0.231 nan 8.280 nan 0.000 0.520 62 L N 0.306 121.463 121.223 -0.110 0.000 2.079 62 L HA -0.237 4.104 4.340 0.001 0.000 0.210 62 L C 2.028 178.877 176.870 -0.034 0.000 1.081 62 L CA 1.385 56.196 54.840 -0.048 0.000 0.752 62 L CB -0.243 41.793 42.059 -0.038 0.000 0.896 62 L HN 0.429 nan 8.230 nan 0.000 0.433 63 Q N -1.168 118.588 119.800 -0.073 0.000 2.398 63 Q HA -0.048 4.292 4.340 0.001 0.000 0.204 63 Q C 2.294 178.291 176.000 -0.005 0.000 0.932 63 Q CA 0.470 56.289 55.803 0.026 0.000 0.916 63 Q CB 0.336 29.168 28.738 0.157 0.000 1.024 63 Q HN 0.367 nan 8.270 nan 0.000 0.504 64 V N 1.045 120.780 119.914 -0.299 0.000 2.343 64 V HA -0.291 3.830 4.120 0.001 0.000 0.247 64 V C 2.249 178.342 176.094 -0.001 0.000 1.051 64 V CA 2.047 64.135 62.300 -0.353 0.000 1.036 64 V CB -0.842 30.707 31.823 -0.457 0.000 0.654 64 V HN 0.366 nan 8.190 nan 0.000 0.451 65 A N 0.159 122.983 122.820 0.007 0.000 1.840 65 A HA -0.023 4.297 4.320 0.001 0.000 0.214 65 A C 2.421 180.062 177.584 0.095 0.000 1.198 65 A CA 1.754 53.825 52.037 0.056 0.000 0.608 65 A CB -0.992 18.032 19.000 0.041 0.000 0.839 65 A HN 0.573 nan 8.150 nan 0.000 0.443 66 A N -0.782 122.091 122.820 0.088 0.000 2.139 66 A HA -0.177 4.144 4.320 0.001 0.000 0.221 66 A C 2.137 179.805 177.584 0.140 0.000 1.159 66 A CA 2.101 54.197 52.037 0.099 0.000 0.662 66 A CB -0.417 18.636 19.000 0.088 0.000 0.796 66 A HN 0.502 nan 8.150 nan 0.000 0.463 67 R N -0.723 119.908 120.500 0.218 0.000 2.156 67 R HA 0.071 4.412 4.340 0.001 0.000 0.207 67 R C 2.105 178.624 176.300 0.365 0.000 1.040 67 R CA 1.098 57.382 56.100 0.305 0.000 1.013 67 R CB -0.278 30.333 30.300 0.517 0.000 0.931 67 R HN 0.630 nan 8.270 nan 0.000 0.465 68 Q N -0.357 119.632 119.800 0.314 0.000 2.224 68 Q HA -0.080 4.261 4.340 0.001 0.000 0.203 68 Q C 1.675 177.826 176.000 0.253 0.000 0.970 68 Q CA 0.848 56.842 55.803 0.317 0.000 0.865 68 Q CB 0.092 28.944 28.738 0.190 0.000 0.922 68 Q HN 0.113 nan 8.270 nan 0.000 0.445 69 R N 0.600 121.197 120.500 0.163 0.000 2.081 69 R HA -0.092 4.249 4.340 0.001 0.000 0.235 69 R C 2.186 178.524 176.300 0.063 0.000 1.131 69 R CA 0.958 57.117 56.100 0.099 0.000 0.960 69 R CB -0.819 29.521 30.300 0.068 0.000 0.856 69 R HN 0.331 nan 8.270 nan 0.000 0.436 70 L N -0.272 120.957 121.223 0.011 0.000 2.042 70 L HA -0.170 4.170 4.340 0.001 0.000 0.210 70 L C 1.964 178.666 176.870 -0.280 0.000 1.076 70 L CA 1.427 56.158 54.840 -0.182 0.000 0.749 70 L CB -0.264 41.586 42.059 -0.349 0.000 0.893 70 L HN 0.082 nan 8.230 nan 0.000 0.432 71 F N -1.318 118.662 119.950 0.051 0.000 2.615 71 F HA 0.039 4.567 4.527 0.001 0.000 0.297 71 F C 2.298 178.131 175.800 0.054 0.000 1.124 71 F CA 0.531 58.560 58.000 0.048 0.000 1.451 71 F CB -0.644 38.385 39.000 0.049 0.000 1.103 71 F HN -0.003 nan 8.300 nan 0.000 0.569 72 A N 0.634 123.571 122.820 0.195 0.000 1.841 72 A HA -0.008 4.313 4.320 0.001 0.000 0.214 72 A C 2.499 180.147 177.584 0.106 0.000 1.195 72 A CA 1.621 53.740 52.037 0.137 0.000 0.611 72 A CB -1.355 17.712 19.000 0.111 0.000 0.835 72 A HN 0.258 nan 8.150 nan 0.000 0.443 73 A N -0.831 122.033 122.820 0.074 0.000 1.896 73 A HA -0.240 4.081 4.320 0.001 0.000 0.220 73 A C 2.301 179.953 177.584 0.113 0.000 1.206 73 A CA 2.813 54.891 52.037 0.068 0.000 0.647 73 A CB -1.622 17.389 19.000 0.019 0.000 0.828 73 A HN 0.469 nan 8.150 nan 0.000 0.455 74 T N -0.182 114.426 114.554 0.090 0.000 2.833 74 T HA 0.047 4.398 4.350 0.001 0.000 0.269 74 T C 2.123 176.954 174.700 0.217 0.000 1.054 74 T CA 1.511 63.699 62.100 0.147 0.000 1.135 74 T CB -0.368 68.547 68.868 0.078 0.000 0.869 74 T HN 0.650 nan 8.240 nan 0.000 0.466 75 A N 1.198 124.114 122.820 0.160 0.000 1.929 75 A HA -0.038 4.283 4.320 0.001 0.000 0.216 75 A C 2.200 179.842 177.584 0.097 0.000 1.176 75 A CA 1.580 53.692 52.037 0.126 0.000 0.628 75 A CB -0.482 18.585 19.000 0.112 0.000 0.816 75 A HN 0.587 nan 8.150 nan 0.000 0.444 76 E N -0.993 119.271 120.200 0.106 0.000 2.051 76 E HA -0.217 4.134 4.350 0.001 0.000 0.192 76 E C 1.782 178.427 176.600 0.075 0.000 0.991 76 E CA 1.431 57.878 56.400 0.078 0.000 0.799 76 E CB -0.311 29.439 29.700 0.083 0.000 0.748 76 E HN 0.561 nan 8.360 nan 0.000 0.449 77 F N 1.431 121.390 119.950 0.014 0.000 2.120 77 F HA -0.156 4.372 4.527 0.001 0.000 0.300 77 F C 1.679 177.485 175.800 0.010 0.000 1.095 77 F CA 1.390 59.395 58.000 0.009 0.000 1.249 77 F CB -0.178 38.825 39.000 0.004 0.000 0.995 77 F HN 0.003 nan 8.300 nan 0.000 0.480 78 L N 0.472 121.588 121.223 -0.178 0.000 2.650 78 L HA 0.164 4.505 4.340 0.001 0.000 0.235 78 L C 1.681 178.446 176.870 -0.176 0.000 1.149 78 L CA 0.537 55.231 54.840 -0.243 0.000 0.887 78 L CB -1.300 40.761 42.059 0.004 0.000 1.021 78 L HN 0.479 nan 8.230 nan 0.000 0.441 79 G N 0.563 109.272 108.800 -0.151 0.000 2.258 79 G HA2 -0.324 3.637 3.960 0.001 0.000 0.274 79 G HA3 -0.324 3.637 3.960 0.001 0.000 0.274 79 G C 0.237 175.109 174.900 -0.048 0.000 1.021 79 G CA 0.416 45.460 45.100 -0.094 0.000 0.798 79 G HN 0.492 nan 8.290 nan 0.000 0.507 80 E N -0.043 120.143 120.200 -0.023 0.000 2.342 80 E HA 0.456 4.806 4.350 0.001 0.000 0.257 80 E C -0.982 175.622 176.600 0.007 0.000 1.150 80 E CA -1.614 54.785 56.400 -0.002 0.000 0.926 80 E CB 0.688 30.398 29.700 0.018 0.000 1.074 80 E HN 0.214 nan 8.360 nan 0.000 0.449 81 P HA -0.102 nan 4.420 nan 0.000 0.287 81 P C -0.811 176.501 177.300 0.021 0.000 1.282 81 P CA 0.082 63.189 63.100 0.012 0.000 0.804 81 P CB 0.311 32.017 31.700 0.010 0.000 1.323 82 Q N 0.148 119.962 119.800 0.022 0.000 2.831 82 Q HA 0.080 4.420 4.340 0.001 0.000 0.366 82 Q C -0.680 175.338 176.000 0.030 0.000 0.899 82 Q CA -0.298 55.524 55.803 0.030 0.000 0.987 82 Q CB 0.022 28.776 28.738 0.028 0.000 1.382 82 Q HN 0.333 nan 8.270 nan 0.000 0.403 83 Q N 2.021 121.839 119.800 0.030 0.000 3.211 83 Q HA -0.213 4.128 4.340 0.001 0.000 0.364 83 Q C -0.267 175.746 176.000 0.021 0.000 1.317 83 Q CA 0.897 56.714 55.803 0.024 0.000 0.823 83 Q CB 0.395 29.151 28.738 0.029 0.000 1.323 83 Q HN 0.600 nan 8.270 nan 0.000 0.586 84 N N 4.411 123.118 118.700 0.012 0.000 2.497 84 N HA 0.108 4.848 4.740 0.001 0.000 0.268 84 N C -2.478 173.041 175.510 0.015 0.000 1.171 84 N CA -1.653 51.403 53.050 0.011 0.000 0.948 84 N CB 0.922 39.410 38.487 0.001 0.000 1.069 84 N HN 0.262 nan 8.380 nan 0.000 0.460 85 P HA 0.047 nan 4.420 nan 0.000 0.247 85 P C -0.134 177.187 177.300 0.034 0.000 1.225 85 P CA 0.640 63.758 63.100 0.031 0.000 0.768 85 P CB 0.269 31.989 31.700 0.035 0.000 1.020 86 D N -0.699 119.714 120.400 0.023 0.000 2.340 86 D HA 0.062 4.702 4.640 0.001 0.000 0.220 86 D C 0.428 176.733 176.300 0.008 0.000 1.039 86 D CA 0.555 54.569 54.000 0.023 0.000 0.866 86 D CB 0.282 41.086 40.800 0.006 0.000 0.913 86 D HN -0.063 nan 8.370 nan 0.000 0.523 87 R N 0.397 120.899 120.500 0.004 0.000 3.107 87 R HA 0.172 4.513 4.340 0.001 0.000 0.224 87 R C -2.830 173.471 176.300 0.002 0.000 1.734 87 R CA -0.899 55.197 56.100 -0.007 0.000 1.303 87 R CB 1.356 31.617 30.300 -0.065 0.000 1.570 87 R HN 0.119 nan 8.270 nan 0.000 0.606 88 P HA 0.274 nan 4.420 nan 0.000 0.306 88 P C -0.025 177.254 177.300 -0.034 0.000 1.309 88 P CA -0.467 62.636 63.100 0.006 0.000 0.759 88 P CB 1.043 32.761 31.700 0.030 0.000 1.314 89 V N 1.370 121.225 119.914 -0.099 0.000 2.455 89 V HA 0.141 4.262 4.120 0.001 0.000 0.273 89 V C -1.947 174.052 176.094 -0.158 0.000 1.045 89 V CA -1.253 60.903 62.300 -0.239 0.000 0.976 89 V CB -0.261 31.179 31.823 -0.638 0.000 0.993 89 V HN 0.508 nan 8.190 nan 0.000 0.475 90 P HA -0.023 nan 4.420 nan 0.000 0.264 90 P C -0.666 176.653 177.300 0.031 0.000 1.183 90 P CA 0.132 63.231 63.100 -0.002 0.000 0.763 90 P CB 0.178 31.867 31.700 -0.018 0.000 0.807 91 F N 4.783 124.718 119.950 -0.025 0.000 2.404 91 F HA 0.296 4.824 4.527 0.002 0.000 0.358 91 F C -0.142 175.677 175.800 0.032 0.000 1.120 91 F CA -0.566 57.443 58.000 0.016 0.000 1.144 91 F CB 0.278 39.288 39.000 0.016 0.000 1.133 91 F HN 0.100 nan 8.300 nan 0.000 0.495 92 I N 7.755 128.204 120.570 -0.203 0.000 2.353 92 I HA 0.333 4.503 4.170 0.001 0.000 0.293 92 I C -0.059 175.957 176.117 -0.168 0.000 0.992 92 I CA -0.721 60.536 61.300 -0.071 0.000 1.268 92 I CB 1.102 39.148 38.000 0.077 0.000 1.387 92 I HN 0.482 nan 8.210 nan 0.000 0.478 93 I N 4.498 124.986 120.570 -0.135 0.000 2.498 93 I HA 0.519 4.689 4.170 0.001 0.000 0.290 93 I C 0.404 176.208 176.117 -0.521 0.000 1.032 93 I CA -0.558 60.624 61.300 -0.196 0.000 1.073 93 I CB 2.293 40.328 38.000 0.058 0.000 1.251 93 I HN 0.631 nan 8.210 nan 0.000 0.426 94 G N 4.947 113.215 108.800 -0.887 0.000 2.388 94 G HA2 0.629 4.590 3.960 0.001 0.000 0.330 94 G HA3 0.629 4.590 3.960 0.001 0.000 0.330 94 G C -1.010 173.698 174.900 -0.320 0.000 1.142 94 G CA -0.389 44.138 45.100 -0.955 0.000 0.908 94 G HN 0.331 nan 8.290 nan 0.000 0.473 95 V N 1.333 121.147 119.914 -0.166 0.000 2.443 95 V HA 0.727 4.848 4.120 0.001 0.000 0.293 95 V C 0.334 176.398 176.094 -0.049 0.000 1.021 95 V CA -0.592 61.670 62.300 -0.064 0.000 0.848 95 V CB 0.772 32.581 31.823 -0.024 0.000 0.998 95 V HN 1.128 nan 8.190 nan 0.000 0.424 96 A N 3.439 126.224 122.820 -0.057 0.000 2.344 96 A HA 1.101 5.422 4.320 0.001 0.000 0.307 96 A C 0.190 177.577 177.584 -0.328 0.000 1.151 96 A CA -0.219 51.764 52.037 -0.091 0.000 0.842 96 A CB 2.013 21.042 19.000 0.049 0.000 1.350 96 A HN 1.871 nan 8.150 nan 0.000 0.459 97 G N -1.179 107.409 108.800 -0.353 0.000 2.361 97 G HA2 0.506 4.467 3.960 0.001 0.000 0.305 97 G HA3 0.506 4.467 3.960 0.001 0.000 0.305 97 G C -0.223 174.566 174.900 -0.185 0.000 1.367 97 G CA 0.134 44.929 45.100 -0.509 0.000 0.951 97 G HN 1.601 nan 8.290 nan 0.000 0.615 98 S N -1.719 113.913 115.700 -0.113 0.000 2.596 98 S HA 0.491 4.962 4.470 0.001 0.000 0.260 98 S C 0.952 175.602 174.600 0.083 0.000 1.336 98 S CA -0.009 58.194 58.200 0.005 0.000 0.993 98 S CB 0.919 64.166 63.200 0.079 0.000 0.923 98 S HN 1.345 nan 8.310 nan 0.000 0.567 99 V N 2.840 122.828 119.914 0.124 0.000 2.740 99 V HA 0.426 4.547 4.120 0.001 0.000 0.303 99 V C 1.157 177.446 176.094 0.326 0.000 1.054 99 V CA 1.038 63.463 62.300 0.209 0.000 1.106 99 V CB 0.136 32.080 31.823 0.202 0.000 0.957 99 V HN 1.581 nan 8.190 nan 0.000 0.486 100 A N 3.908 126.920 122.820 0.320 0.000 2.887 100 A HA -0.147 4.174 4.320 0.001 0.000 0.257 100 A C 1.152 178.974 177.584 0.396 0.000 1.372 100 A CA 0.984 53.238 52.037 0.362 0.000 0.879 100 A CB -1.850 17.448 19.000 0.497 0.000 1.082 100 A HN 1.112 nan 8.150 nan 0.000 0.703 101 V N -1.531 118.563 119.914 0.301 0.000 3.471 101 V HA 0.471 4.592 4.120 0.001 0.000 0.258 101 V C 1.853 178.093 176.094 0.242 0.000 1.192 101 V CA 2.298 64.805 62.300 0.345 0.000 1.116 101 V CB 0.516 32.448 31.823 0.182 0.000 0.792 101 V HN 2.355 nan 8.190 nan 0.000 0.459 102 G N -0.171 108.718 108.800 0.149 0.000 2.205 102 G HA2 -0.205 3.756 3.960 0.001 0.000 0.180 102 G HA3 -0.205 3.756 3.960 0.001 0.000 0.180 102 G C 0.764 175.703 174.900 0.065 0.000 1.004 102 G CA 0.372 45.524 45.100 0.088 0.000 0.670 102 G HN 0.415 nan 8.290 nan 0.000 0.496 103 K N 1.348 121.780 120.400 0.053 0.000 2.032 103 K HA -0.207 4.114 4.320 0.001 0.000 0.218 103 K C 2.926 179.553 176.600 0.045 0.000 1.054 103 K CA 2.397 58.703 56.287 0.032 0.000 0.941 103 K CB -0.494 32.015 32.500 0.016 0.000 0.720 103 K HN 0.703 nan 8.250 nan 0.000 0.449 104 S N 0.788 116.515 115.700 0.045 0.000 2.381 104 S HA -0.248 4.223 4.470 0.001 0.000 0.230 104 S C 2.129 176.744 174.600 0.025 0.000 1.052 104 S CA 2.216 60.438 58.200 0.037 0.000 1.068 104 S CB -1.122 62.093 63.200 0.025 0.000 0.918 104 S HN 0.289 nan 8.310 nan 0.000 0.448 105 T N 1.633 116.198 114.554 0.018 0.000 2.770 105 T HA -0.043 4.308 4.350 0.001 0.000 0.263 105 T C 2.093 176.809 174.700 0.028 0.000 1.039 105 T CA 1.755 63.853 62.100 -0.003 0.000 1.142 105 T CB -1.098 67.755 68.868 -0.025 0.000 0.868 105 T HN 0.561 nan 8.240 nan 0.000 0.435 106 T N 2.047 116.661 114.554 0.099 0.000 2.699 106 T HA -0.094 4.257 4.350 0.001 0.000 0.268 106 T C 2.344 177.150 174.700 0.178 0.000 1.036 106 T CA 1.316 63.554 62.100 0.229 0.000 1.147 106 T CB -0.537 68.448 68.868 0.196 0.000 0.862 106 T HN 0.437 nan 8.240 nan 0.000 0.446 107 A N 1.330 124.207 122.820 0.096 0.000 1.898 107 A HA -0.053 4.267 4.320 0.001 0.000 0.216 107 A C 2.369 179.988 177.584 0.058 0.000 1.181 107 A CA 1.313 53.394 52.037 0.073 0.000 0.620 107 A CB -0.471 18.561 19.000 0.052 0.000 0.819 107 A HN 0.374 nan 8.150 nan 0.000 0.442 108 R N -0.654 119.867 120.500 0.036 0.000 2.081 108 R HA -0.100 4.241 4.340 0.001 0.000 0.235 108 R C 2.086 178.384 176.300 -0.002 0.000 1.131 108 R CA 1.579 57.688 56.100 0.015 0.000 0.960 108 R CB -0.519 29.778 30.300 -0.005 0.000 0.856 108 R HN 0.399 nan 8.270 nan 0.000 0.436 109 V N 1.266 121.160 119.914 -0.033 0.000 2.295 109 V HA -0.243 3.878 4.120 0.001 0.000 0.246 109 V C 2.220 178.312 176.094 -0.003 0.000 1.049 109 V CA 1.540 63.781 62.300 -0.098 0.000 1.024 109 V CB -0.515 31.104 31.823 -0.341 0.000 0.648 109 V HN 0.262 nan 8.190 nan 0.000 0.447 110 L N 0.198 121.478 121.223 0.095 0.000 2.043 110 L HA -0.252 4.089 4.340 0.001 0.000 0.212 110 L C 2.527 179.427 176.870 0.050 0.000 1.075 110 L CA 2.383 57.292 54.840 0.116 0.000 0.752 110 L CB -0.889 41.242 42.059 0.120 0.000 0.891 110 L HN 0.465 nan 8.230 nan 0.000 0.432 111 Q N -1.070 118.757 119.800 0.045 0.000 2.119 111 Q HA -0.197 4.144 4.340 0.001 0.000 0.201 111 Q C 2.092 178.121 176.000 0.049 0.000 0.972 111 Q CA 1.651 57.481 55.803 0.044 0.000 0.847 111 Q CB -0.148 28.618 28.738 0.047 0.000 0.903 111 Q HN 0.633 nan 8.270 nan 0.000 0.433 112 A N 1.160 124.001 122.820 0.036 0.000 1.877 112 A HA -0.168 4.152 4.320 0.001 0.000 0.216 112 A C 2.099 179.721 177.584 0.064 0.000 1.186 112 A CA 1.377 53.436 52.037 0.037 0.000 0.620 112 A CB -0.785 18.219 19.000 0.006 0.000 0.822 112 A HN 0.445 nan 8.150 nan 0.000 0.443 113 L N -0.612 120.646 121.223 0.059 0.000 2.017 113 L HA -0.191 4.150 4.340 0.001 0.000 0.208 113 L C 2.536 179.484 176.870 0.130 0.000 1.073 113 L CA 1.274 56.166 54.840 0.088 0.000 0.745 113 L CB -0.728 41.375 42.059 0.072 0.000 0.894 113 L HN 0.361 nan 8.230 nan 0.000 0.432 114 L N -0.303 120.969 121.223 0.081 0.000 2.201 114 L HA -0.136 4.205 4.340 0.001 0.000 0.212 114 L C 2.754 179.756 176.870 0.219 0.000 1.105 114 L CA 0.832 55.732 54.840 0.101 0.000 0.775 114 L CB -0.712 41.322 42.059 -0.041 0.000 0.913 114 L HN 0.249 nan 8.230 nan 0.000 0.440 115 A N -0.190 122.737 122.820 0.178 0.000 2.016 115 A HA -0.084 4.237 4.320 0.001 0.000 0.217 115 A C 1.985 179.734 177.584 0.275 0.000 1.162 115 A CA 0.600 52.757 52.037 0.200 0.000 0.662 115 A CB -0.249 18.828 19.000 0.128 0.000 0.812 115 A HN 0.255 nan 8.150 nan 0.000 0.450 116 R N -0.397 120.262 120.500 0.264 0.000 4.031 116 R HA 0.110 4.451 4.340 0.001 0.000 0.269 116 R C -0.833 175.693 176.300 0.376 0.000 1.668 116 R CA -0.357 55.917 56.100 0.289 0.000 1.432 116 R CB -0.086 30.329 30.300 0.191 0.000 1.374 116 R HN 0.708 nan 8.270 nan 0.000 0.681 117 W N 1.541 122.914 121.300 0.122 0.000 2.666 117 W HA 0.199 4.859 4.660 0.000 0.000 0.334 117 W C -0.909 175.587 176.519 -0.038 0.000 1.051 117 W CA -1.116 56.234 57.345 0.008 0.000 1.224 117 W CB 1.119 30.565 29.460 -0.022 0.000 1.405 117 W HN 0.192 nan 8.180 nan 0.000 0.513 118 D N 4.122 124.111 120.400 -0.685 0.000 2.694 118 D HA -0.156 4.484 4.640 0.001 0.000 0.223 118 D C 0.854 177.025 176.300 -0.215 0.000 1.158 118 D CA 1.744 55.405 54.000 -0.565 0.000 0.859 118 D CB 0.101 40.537 40.800 -0.608 0.000 1.210 118 D HN 0.577 nan 8.370 nan 0.000 0.506 119 H N -0.082 118.639 119.070 -0.582 0.000 4.456 119 H HA -0.210 4.346 4.556 0.001 0.000 0.114 119 H C -0.263 174.940 175.328 -0.208 0.000 0.650 119 H CA 0.920 56.768 56.048 -0.334 0.000 1.225 119 H CB -1.183 28.472 29.762 -0.177 0.000 0.616 119 H HN 0.704 nan 8.280 nan 0.000 0.613 120 H N -0.667 118.482 119.070 0.132 0.000 2.740 120 H HA -0.069 4.487 4.556 0.001 0.000 0.327 120 H C -2.302 173.108 175.328 0.137 0.000 1.077 120 H CA 0.835 56.955 56.048 0.120 0.000 1.088 120 H CB -1.401 28.402 29.762 0.069 0.000 1.619 120 H HN 0.471 nan 8.280 nan 0.000 0.386 121 P HA 0.084 nan 4.420 nan 0.000 0.271 121 P C 0.528 177.927 177.300 0.165 0.000 1.216 121 P CA -0.165 63.054 63.100 0.197 0.000 0.771 121 P CB 0.824 32.650 31.700 0.210 0.000 0.864 122 R N 2.900 123.479 120.500 0.132 0.000 2.413 122 R HA 0.198 4.538 4.340 0.001 0.000 0.333 122 R C -0.761 175.594 176.300 0.092 0.000 1.074 122 R CA -0.110 56.049 56.100 0.098 0.000 0.982 122 R CB -0.271 30.070 30.300 0.069 0.000 0.981 122 R HN 0.277 nan 8.270 nan 0.000 0.452 123 V N 5.583 125.552 119.914 0.092 0.000 2.277 123 V HA 0.140 4.260 4.120 0.001 0.000 0.269 123 V C -0.179 175.961 176.094 0.077 0.000 1.036 123 V CA -0.673 61.678 62.300 0.085 0.000 0.821 123 V CB 1.068 32.943 31.823 0.086 0.000 1.052 123 V HN 0.686 nan 8.190 nan 0.000 0.462 124 D N 3.535 123.983 120.400 0.080 0.000 2.225 124 D HA 0.509 5.149 4.640 0.001 0.000 0.249 124 D C -0.503 175.860 176.300 0.104 0.000 1.052 124 D CA -0.261 53.793 54.000 0.091 0.000 0.909 124 D CB 2.674 43.536 40.800 0.104 0.000 1.186 124 D HN 0.355 nan 8.370 nan 0.000 0.431 125 L N 2.247 123.534 121.223 0.107 0.000 2.356 125 L HA 0.492 4.833 4.340 0.001 0.000 0.277 125 L C -1.466 175.485 176.870 0.134 0.000 0.996 125 L CA -0.638 54.267 54.840 0.108 0.000 0.822 125 L CB 1.808 43.916 42.059 0.081 0.000 1.256 125 L HN 0.092 nan 8.230 nan 0.000 0.413 126 V N 3.217 123.228 119.914 0.162 0.000 2.638 126 V HA 0.659 4.779 4.120 0.001 0.000 0.306 126 V C -0.045 176.147 176.094 0.163 0.000 1.052 126 V CA -0.297 62.112 62.300 0.181 0.000 0.885 126 V CB 2.286 34.284 31.823 0.292 0.000 0.999 126 V HN 0.905 nan 8.190 nan 0.000 0.424 127 T N -0.799 113.844 114.554 0.147 0.000 2.902 127 T HA 0.313 4.663 4.350 0.001 0.000 0.283 127 T C 1.052 175.869 174.700 0.195 0.000 1.009 127 T CA 0.170 62.359 62.100 0.147 0.000 1.051 127 T CB 1.475 70.430 68.868 0.145 0.000 0.999 127 T HN 0.842 nan 8.240 nan 0.000 0.474 128 T N -1.327 113.338 114.554 0.185 0.000 3.163 128 T HA -0.015 4.336 4.350 0.001 0.000 0.260 128 T C 0.989 175.885 174.700 0.326 0.000 1.156 128 T CA 0.317 62.576 62.100 0.265 0.000 1.072 128 T CB -0.481 68.387 68.868 -0.000 0.000 0.937 128 T HN 0.565 nan 8.240 nan 0.000 0.528 129 D N 2.530 123.029 120.400 0.166 0.000 2.116 129 D HA -0.062 4.579 4.640 0.001 0.000 0.193 129 D C 2.341 178.580 176.300 -0.102 0.000 0.998 129 D CA 1.644 55.609 54.000 -0.057 0.000 0.836 129 D CB -0.956 39.812 40.800 -0.054 0.000 0.951 129 D HN 0.589 nan 8.370 nan 0.000 0.449 130 G N -1.084 107.697 108.800 -0.033 0.000 2.586 130 G HA2 -0.189 3.771 3.960 0.001 0.000 0.215 130 G HA3 -0.189 3.771 3.960 0.001 0.000 0.215 130 G C 0.859 175.530 174.900 -0.381 0.000 1.128 130 G CA -0.008 44.982 45.100 -0.183 0.000 0.774 130 G HN 0.225 nan 8.290 nan 0.000 0.543 131 F N 0.147 120.081 119.950 -0.026 0.000 2.641 131 F HA 0.436 4.963 4.527 0.001 0.000 0.302 131 F C 1.003 176.750 175.800 -0.089 0.000 1.098 131 F CA -0.573 57.405 58.000 -0.037 0.000 1.318 131 F CB 0.269 39.273 39.000 0.006 0.000 1.035 131 F HN -0.105 nan 8.300 nan 0.000 0.551 132 L N -0.381 120.794 121.223 -0.080 0.000 2.436 132 L HA 0.135 4.476 4.340 0.001 0.000 0.265 132 L C -0.127 176.617 176.870 -0.210 0.000 1.168 132 L CA -0.473 54.172 54.840 -0.324 0.000 0.815 132 L CB 0.450 42.238 42.059 -0.452 0.000 1.109 132 L HN 0.040 nan 8.230 nan 0.000 0.462 133 Y N 1.939 122.178 120.300 -0.102 0.000 2.336 133 Y HA 0.126 4.677 4.550 0.001 0.000 0.331 133 Y C -1.716 174.146 175.900 -0.063 0.000 1.211 133 Y CA -1.702 56.368 58.100 -0.051 0.000 1.346 133 Y CB 0.266 38.699 38.460 -0.044 0.000 1.271 133 Y HN 0.400 nan 8.280 nan 0.000 0.538 134 P HA -0.059 nan 4.420 nan 0.000 0.268 134 P C 0.008 177.315 177.300 0.012 0.000 1.208 134 P CA 0.168 63.295 63.100 0.044 0.000 0.777 134 P CB 0.673 32.392 31.700 0.032 0.000 0.875 135 N N 1.526 120.204 118.700 -0.037 0.000 2.137 135 N HA -0.200 4.540 4.740 0.001 0.000 0.190 135 N C 1.673 177.159 175.510 -0.039 0.000 1.017 135 N CA 1.835 54.850 53.050 -0.059 0.000 0.859 135 N CB -0.928 37.507 38.487 -0.087 0.000 1.002 135 N HN 0.435 nan 8.380 nan 0.000 0.428 136 A N 0.778 123.578 122.820 -0.032 0.000 1.902 136 A HA -0.154 4.167 4.320 0.001 0.000 0.217 136 A C 2.218 179.780 177.584 -0.037 0.000 1.181 136 A CA 1.713 53.732 52.037 -0.031 0.000 0.623 136 A CB -0.465 18.519 19.000 -0.027 0.000 0.818 136 A HN 0.283 nan 8.150 nan 0.000 0.443 137 E N 0.118 120.299 120.200 -0.031 0.000 2.152 137 E HA -0.044 4.307 4.350 0.001 0.000 0.192 137 E C 1.760 178.300 176.600 -0.100 0.000 0.983 137 E CA 0.892 57.248 56.400 -0.073 0.000 0.818 137 E CB -0.369 29.294 29.700 -0.060 0.000 0.758 137 E HN 0.602 nan 8.360 nan 0.000 0.467 138 L N -0.091 121.104 121.223 -0.047 0.000 2.072 138 L HA -0.107 4.233 4.340 0.001 0.000 0.205 138 L C 2.612 179.449 176.870 -0.056 0.000 1.079 138 L CA 1.188 56.000 54.840 -0.046 0.000 0.752 138 L CB -0.338 41.705 42.059 -0.028 0.000 0.906 138 L HN 0.179 nan 8.230 nan 0.000 0.436 139 Q N -0.416 119.354 119.800 -0.049 0.000 2.124 139 Q HA -0.218 4.122 4.340 0.001 0.000 0.202 139 Q C 2.343 178.318 176.000 -0.043 0.000 0.977 139 Q CA 1.344 57.122 55.803 -0.041 0.000 0.850 139 Q CB -0.045 28.674 28.738 -0.031 0.000 0.901 139 Q HN 0.285 nan 8.270 nan 0.000 0.429 140 R N 0.467 120.934 120.500 -0.055 0.000 2.096 140 R HA -0.082 4.258 4.340 0.001 0.000 0.235 140 R C 1.388 177.648 176.300 -0.066 0.000 1.127 140 R CA 1.209 57.273 56.100 -0.060 0.000 0.968 140 R CB 0.153 30.408 30.300 -0.074 0.000 0.861 140 R HN 0.138 nan 8.270 nan 0.000 0.440 141 R N -0.149 120.301 120.500 -0.084 0.000 2.317 141 R HA 0.090 4.431 4.340 0.001 0.000 0.208 141 R C -0.002 176.265 176.300 -0.054 0.000 0.914 141 R CA 0.098 56.150 56.100 -0.080 0.000 1.060 141 R CB -0.004 30.227 30.300 -0.116 0.000 1.015 141 R HN 0.204 nan 8.270 nan 0.000 0.498 142 N N 0.436 119.110 118.700 -0.043 0.000 2.758 142 N HA -0.149 4.592 4.740 0.001 0.000 0.248 142 N C -0.351 175.142 175.510 -0.029 0.000 1.076 142 N CA 0.461 53.496 53.050 -0.026 0.000 0.696 142 N CB -0.991 37.484 38.487 -0.020 0.000 0.979 142 N HN 0.262 nan 8.380 nan 0.000 0.550 143 L N -1.057 120.143 121.223 -0.039 0.000 2.906 143 L HA 0.260 4.601 4.340 0.001 0.000 0.255 143 L C 1.467 178.313 176.870 -0.039 0.000 1.166 143 L CA -0.449 54.369 54.840 -0.036 0.000 0.977 143 L CB 0.019 42.065 42.059 -0.022 0.000 1.313 143 L HN 0.217 nan 8.230 nan 0.000 0.549 144 M N -0.131 119.418 119.600 -0.085 0.000 2.623 144 M HA -0.114 4.367 4.480 0.001 0.000 0.258 144 M C 0.854 176.991 176.300 -0.270 0.000 1.067 144 M CA 1.467 56.666 55.300 -0.169 0.000 1.068 144 M CB -0.815 31.645 32.600 -0.234 0.000 1.409 144 M HN 0.274 nan 8.290 nan 0.000 0.504 145 H N -0.628 118.492 119.070 0.083 0.000 2.505 145 H HA 0.360 4.916 4.556 0.001 0.000 0.260 145 H C 0.363 175.714 175.328 0.038 0.000 1.168 145 H CA -0.021 56.086 56.048 0.098 0.000 0.945 145 H CB 0.553 30.355 29.762 0.068 0.000 1.800 145 H HN 0.180 nan 8.280 nan 0.000 0.586 146 R N 0.371 120.941 120.500 0.115 0.000 2.544 146 R HA 0.107 4.448 4.340 0.001 0.000 0.426 146 R C 0.169 176.661 176.300 0.318 0.000 0.943 146 R CA -0.347 55.803 56.100 0.083 0.000 1.162 146 R CB 1.208 31.368 30.300 -0.233 0.000 1.588 146 R HN -0.020 nan 8.270 nan 0.000 0.563 147 K N 1.137 121.659 120.400 0.204 0.000 2.453 147 K HA 0.071 4.392 4.320 0.001 0.000 0.280 147 K C 0.967 177.645 176.600 0.129 0.000 1.045 147 K CA 1.425 57.756 56.287 0.073 0.000 1.059 147 K CB 0.510 33.052 32.500 0.070 0.000 0.901 147 K HN 0.522 nan 8.250 nan 0.000 0.475 148 G N 3.646 112.450 108.800 0.007 0.000 2.278 148 G HA2 -0.234 3.726 3.960 0.001 0.000 0.210 148 G HA3 -0.234 3.726 3.960 0.001 0.000 0.210 148 G C -0.042 174.969 174.900 0.185 0.000 1.000 148 G CA -0.612 44.556 45.100 0.113 0.000 0.635 148 G HN 0.464 nan 8.290 nan 0.000 0.495 149 F N 1.530 121.543 119.950 0.105 0.000 2.406 149 F HA 0.472 5.000 4.527 0.001 0.000 0.327 149 F C -0.299 175.637 175.800 0.226 0.000 1.153 149 F CA -1.234 56.841 58.000 0.124 0.000 1.218 149 F CB 0.735 39.775 39.000 0.067 0.000 1.215 149 F HN -0.159 nan 8.300 nan 0.000 0.570 150 P HA -0.246 nan 4.420 nan 0.000 0.216 150 P C 1.372 178.866 177.300 0.323 0.000 1.157 150 P CA 2.048 65.320 63.100 0.287 0.000 0.880 150 P CB -0.041 31.759 31.700 0.167 0.000 0.791 151 E N -0.069 120.295 120.200 0.274 0.000 2.338 151 E HA -0.119 4.232 4.350 0.001 0.000 0.197 151 E C 1.407 178.168 176.600 0.268 0.000 1.007 151 E CA 1.517 58.057 56.400 0.233 0.000 0.849 151 E CB -1.017 28.775 29.700 0.152 0.000 0.774 151 E HN 0.325 nan 8.360 nan 0.000 0.506 152 S N -0.774 115.054 115.700 0.214 0.000 2.650 152 S HA 0.038 4.509 4.470 0.001 0.000 0.219 152 S C -0.004 174.511 174.600 -0.141 0.000 0.960 152 S CA -0.573 57.673 58.200 0.078 0.000 0.925 152 S CB -0.557 62.594 63.200 -0.081 0.000 0.775 152 S HN 0.205 nan 8.310 nan 0.000 0.525 153 Y N 1.356 121.667 120.300 0.019 0.000 2.429 153 Y HA 0.479 5.030 4.550 0.001 0.000 0.342 153 Y C 0.409 176.039 175.900 -0.451 0.000 1.004 153 Y CA -1.387 56.583 58.100 -0.217 0.000 1.075 153 Y CB 0.918 39.327 38.460 -0.086 0.000 1.214 153 Y HN 0.055 nan 8.280 nan 0.000 0.455 154 N N 2.945 121.313 118.700 -0.554 0.000 3.050 154 N HA 0.037 4.778 4.740 0.001 0.000 0.289 154 N C 0.737 176.220 175.510 -0.046 0.000 1.209 154 N CA 0.229 53.025 53.050 -0.424 0.000 1.154 154 N CB 0.000 38.297 38.487 -0.317 0.000 1.444 154 N HN 0.733 nan 8.380 nan 0.000 0.529 155 R N 0.562 121.066 120.500 0.007 0.000 2.200 155 R HA -0.092 4.249 4.340 0.001 0.000 0.234 155 R C 1.849 178.127 176.300 -0.036 0.000 1.127 155 R CA 1.002 57.083 56.100 -0.031 0.000 0.989 155 R CB 0.145 30.442 30.300 -0.006 0.000 0.869 155 R HN 0.409 nan 8.270 nan 0.000 0.459 156 R N 0.150 120.664 120.500 0.024 0.000 2.062 156 R HA -0.059 4.282 4.340 0.001 0.000 0.229 156 R C 2.148 178.471 176.300 0.038 0.000 1.128 156 R CA 1.405 57.526 56.100 0.035 0.000 0.960 156 R CB -0.132 30.214 30.300 0.076 0.000 0.855 156 R HN 0.200 nan 8.270 nan 0.000 0.432 157 A N 0.878 123.745 122.820 0.080 0.000 1.898 157 A HA -0.148 4.173 4.320 0.001 0.000 0.216 157 A C 1.992 179.615 177.584 0.065 0.000 1.181 157 A CA 1.127 53.261 52.037 0.162 0.000 0.620 157 A CB -0.629 18.543 19.000 0.287 0.000 0.819 157 A HN 0.358 nan 8.150 nan 0.000 0.442 158 L N -1.025 120.034 121.223 -0.273 0.000 2.012 158 L HA -0.186 4.155 4.340 0.001 0.000 0.210 158 L C 2.386 179.073 176.870 -0.305 0.000 1.073 158 L CA 2.872 57.200 54.840 -0.854 0.000 0.748 158 L CB -0.566 41.002 42.059 -0.819 0.000 0.891 158 L HN 0.434 nan 8.230 nan 0.000 0.431 159 M N -0.593 118.910 119.600 -0.163 0.000 2.086 159 M HA -0.159 4.322 4.480 0.001 0.000 0.261 159 M C 2.416 178.699 176.300 -0.028 0.000 1.067 159 M CA 1.660 56.904 55.300 -0.093 0.000 1.116 159 M CB -0.488 32.066 32.600 -0.076 0.000 1.348 159 M HN 0.174 nan 8.290 nan 0.000 0.407 160 R N -1.272 119.241 120.500 0.021 0.000 2.096 160 R HA -0.198 4.142 4.340 0.001 0.000 0.240 160 R C 2.192 178.556 176.300 0.106 0.000 1.139 160 R CA 2.020 58.158 56.100 0.064 0.000 0.952 160 R CB -0.817 29.544 30.300 0.102 0.000 0.854 160 R HN 0.453 nan 8.270 nan 0.000 0.436 161 F N 1.065 121.018 119.950 0.005 0.000 2.026 161 F HA -0.253 4.274 4.527 0.001 0.000 0.296 161 F C 2.151 177.961 175.800 0.018 0.000 1.133 161 F CA 1.647 59.681 58.000 0.058 0.000 1.188 161 F CB -0.705 38.386 39.000 0.151 0.000 0.968 161 F HN -0.273 nan 8.300 nan 0.000 0.476 162 V N -0.050 119.814 119.914 -0.084 0.000 2.392 162 V HA -0.348 3.773 4.120 0.001 0.000 0.249 162 V C 2.345 178.341 176.094 -0.164 0.000 1.059 162 V CA 2.379 64.571 62.300 -0.180 0.000 1.051 162 V CB -1.356 30.456 31.823 -0.020 0.000 0.658 162 V HN 0.491 nan 8.190 nan 0.000 0.455 163 T N -0.620 113.872 114.554 -0.103 0.000 2.674 163 T HA -0.233 4.118 4.350 0.001 0.000 0.265 163 T C 2.173 176.812 174.700 -0.102 0.000 1.039 163 T CA 2.010 64.061 62.100 -0.082 0.000 1.150 163 T CB -0.373 68.466 68.868 -0.049 0.000 0.864 163 T HN 0.537 nan 8.240 nan 0.000 0.427 164 S N 0.278 115.910 115.700 -0.114 0.000 2.374 164 S HA -0.139 4.332 4.470 0.001 0.000 0.227 164 S C 2.124 176.625 174.600 -0.165 0.000 1.037 164 S CA 1.509 59.636 58.200 -0.123 0.000 1.024 164 S CB -0.528 62.610 63.200 -0.103 0.000 0.861 164 S HN 0.300 nan 8.310 nan 0.000 0.456 165 V N 1.445 121.201 119.914 -0.263 0.000 2.379 165 V HA -0.043 4.078 4.120 0.001 0.000 0.245 165 V C 2.471 178.479 176.094 -0.143 0.000 1.044 165 V CA 2.021 64.180 62.300 -0.235 0.000 1.036 165 V CB -0.564 31.034 31.823 -0.376 0.000 0.664 165 V HN 0.497 nan 8.190 nan 0.000 0.453 166 K N 0.640 120.957 120.400 -0.138 0.000 2.432 166 K HA -0.067 4.254 4.320 0.001 0.000 0.196 166 K C 1.886 178.414 176.600 -0.120 0.000 1.038 166 K CA 1.052 57.266 56.287 -0.121 0.000 0.986 166 K CB -0.053 32.385 32.500 -0.103 0.000 0.782 166 K HN 0.566 nan 8.250 nan 0.000 0.485 167 S N -0.942 114.701 115.700 -0.094 0.000 2.671 167 S HA 0.151 4.621 4.470 0.001 0.000 0.220 167 S C 1.028 175.590 174.600 -0.062 0.000 0.951 167 S CA 0.275 58.434 58.200 -0.069 0.000 0.932 167 S CB 0.234 63.403 63.200 -0.052 0.000 0.777 167 S HN 0.458 nan 8.310 nan 0.000 0.508 168 G N 1.415 110.175 108.800 -0.066 0.000 2.141 168 G HA2 -0.283 3.677 3.960 0.001 0.000 0.242 168 G HA3 -0.283 3.677 3.960 0.001 0.000 0.242 168 G C 0.164 175.047 174.900 -0.030 0.000 0.982 168 G CA 0.156 45.231 45.100 -0.042 0.000 0.662 168 G HN 1.498 nan 8.290 nan 0.000 0.527 169 S N -0.341 115.330 115.700 -0.049 0.000 2.573 169 S HA 0.309 4.780 4.470 0.001 0.000 0.277 169 S C 1.046 175.651 174.600 0.009 0.000 1.346 169 S CA 0.537 58.696 58.200 -0.069 0.000 1.034 169 S CB 1.281 64.403 63.200 -0.131 0.000 0.879 169 S HN 0.171 nan 8.310 nan 0.000 0.528 170 D N 0.751 121.158 120.400 0.011 0.000 2.183 170 D HA 0.064 4.704 4.640 0.001 0.000 0.203 170 D C 0.090 176.610 176.300 0.368 0.000 0.969 170 D CA 1.523 55.667 54.000 0.241 0.000 0.842 170 D CB -0.053 40.897 40.800 0.249 0.000 0.957 170 D HN 0.836 nan 8.370 nan 0.000 0.484 171 Y N -2.235 118.130 120.300 0.108 0.000 2.573 171 Y HA 0.582 5.133 4.550 0.001 0.000 0.328 171 Y C -1.633 174.316 175.900 0.081 0.000 1.170 171 Y CA -1.581 56.567 58.100 0.080 0.000 1.078 171 Y CB 0.839 39.347 38.460 0.081 0.000 1.341 171 Y HN -0.137 nan 8.280 nan 0.000 0.459 172 A N 1.290 124.249 122.820 0.232 0.000 2.498 172 A HA 0.867 5.188 4.320 0.001 0.000 0.298 172 A C -1.424 176.447 177.584 0.478 0.000 1.075 172 A CA -0.749 51.437 52.037 0.248 0.000 0.714 172 A CB 1.202 20.230 19.000 0.046 0.000 1.299 172 A HN 1.032 nan 8.150 nan 0.000 0.407 173 C N 0.807 120.379 119.300 0.455 0.000 2.493 173 C HA 0.941 5.402 4.460 0.001 0.000 0.326 173 C C 0.574 175.653 174.990 0.148 0.000 1.200 173 C CA -0.161 59.041 59.018 0.306 0.000 1.739 173 C CB 0.869 28.727 27.740 0.197 0.000 2.300 173 C HN 1.189 nan 8.230 nan 0.000 0.500 174 A N 3.239 125.970 122.820 -0.149 0.000 2.414 174 A HA 0.904 5.224 4.320 0.001 0.000 0.306 174 A C -2.987 174.333 177.584 -0.441 0.000 1.054 174 A CA -1.246 50.462 52.037 -0.548 0.000 0.724 174 A CB 0.928 19.359 19.000 -0.948 0.000 1.267 174 A HN 0.626 nan 8.150 nan 0.000 0.418 175 P HA 0.388 nan 4.420 nan 0.000 0.273 175 P C -0.750 176.377 177.300 -0.287 0.000 1.250 175 P CA -0.260 62.632 63.100 -0.346 0.000 0.793 175 P CB 0.644 32.135 31.700 -0.347 0.000 1.011 176 V N 1.026 120.855 119.914 -0.141 0.000 2.555 176 V HA 0.312 4.433 4.120 0.001 0.000 0.302 176 V C -0.774 175.329 176.094 0.015 0.000 1.038 176 V CA -0.574 61.691 62.300 -0.058 0.000 0.887 176 V CB 1.278 33.084 31.823 -0.029 0.000 0.991 176 V HN 0.405 nan 8.190 nan 0.000 0.434 177 Y N 2.772 123.024 120.300 -0.079 0.000 2.342 177 Y HA 0.572 5.123 4.550 0.001 0.000 0.334 177 Y C 0.487 176.373 175.900 -0.024 0.000 1.067 177 Y CA -0.156 57.896 58.100 -0.079 0.000 1.128 177 Y CB 1.883 40.272 38.460 -0.119 0.000 1.200 177 Y HN 0.633 nan 8.280 nan 0.000 0.464 178 S N 5.092 120.440 115.700 -0.586 0.000 2.422 178 S HA 0.221 4.692 4.470 0.001 0.000 0.298 178 S C 0.526 174.857 174.600 -0.448 0.000 1.118 178 S CA -0.470 57.537 58.200 -0.322 0.000 1.083 178 S CB 0.166 63.294 63.200 -0.121 0.000 0.971 178 S HN 0.931 nan 8.310 nan 0.000 0.478 179 H N 3.876 122.925 119.070 -0.035 0.000 2.502 179 H HA -0.004 4.553 4.556 0.001 0.000 0.283 179 H C 1.632 177.066 175.328 0.176 0.000 1.015 179 H CA 1.020 57.175 56.048 0.177 0.000 1.298 179 H CB 0.306 30.211 29.762 0.238 0.000 1.411 179 H HN 0.555 nan 8.280 nan 0.000 0.556 180 L N 0.612 121.903 121.223 0.112 0.000 2.027 180 L HA -0.147 4.194 4.340 0.001 0.000 0.206 180 L C 1.844 178.653 176.870 -0.102 0.000 1.074 180 L CA 1.810 56.630 54.840 -0.033 0.000 0.745 180 L CB -0.435 41.460 42.059 -0.274 0.000 0.898 180 L HN 0.244 nan 8.230 nan 0.000 0.433 181 H N -2.194 116.910 119.070 0.058 0.000 2.539 181 H HA 0.031 4.588 4.556 0.001 0.000 0.269 181 H C 0.151 175.458 175.328 -0.034 0.000 0.980 181 H CA 0.449 56.498 56.048 0.003 0.000 1.152 181 H CB -0.068 29.649 29.762 -0.076 0.000 1.407 181 H HN 0.431 nan 8.280 nan 0.000 0.564 182 Y N 1.467 121.700 120.300 -0.112 0.000 4.079 182 Y HA -0.315 4.236 4.550 0.001 0.000 0.223 182 Y C -0.807 174.945 175.900 -0.246 0.000 1.155 182 Y CA 0.845 58.889 58.100 -0.093 0.000 1.805 182 Y CB -1.189 37.239 38.460 -0.053 0.000 1.571 182 Y HN 0.321 nan 8.280 nan 0.000 0.654 183 D N -0.992 119.055 120.400 -0.588 0.000 2.643 183 D HA 0.413 5.054 4.640 0.001 0.000 0.283 183 D C -0.599 175.425 176.300 -0.460 0.000 1.242 183 D CA -0.412 53.344 54.000 -0.407 0.000 0.863 183 D CB 0.983 41.659 40.800 -0.207 0.000 1.382 183 D HN -0.059 nan 8.370 nan 0.000 0.444 184 I N 1.702 122.195 120.570 -0.129 0.000 2.529 184 I HA 0.213 4.384 4.170 0.001 0.000 0.284 184 I C 0.484 176.543 176.117 -0.097 0.000 1.082 184 I CA -0.141 61.125 61.300 -0.057 0.000 1.406 184 I CB 0.288 38.288 38.000 0.001 0.000 1.405 184 I HN 0.331 nan 8.210 nan 0.000 0.548 185 I N 8.160 128.680 120.570 -0.083 0.000 2.379 185 I HA 0.156 4.327 4.170 0.001 0.000 0.290 185 I C -1.978 174.106 176.117 -0.055 0.000 1.063 185 I CA -1.547 59.713 61.300 -0.067 0.000 1.351 185 I CB 0.307 38.282 38.000 -0.041 0.000 1.410 185 I HN 0.295 nan 8.210 nan 0.000 0.505 186 P HA 0.068 nan 4.420 nan 0.000 0.263 186 P C 0.876 178.156 177.300 -0.035 0.000 1.195 186 P CA 0.509 63.582 63.100 -0.045 0.000 0.762 186 P CB 0.673 32.343 31.700 -0.050 0.000 0.799 187 G N 2.147 110.930 108.800 -0.028 0.000 2.189 187 G HA2 -0.210 3.751 3.960 0.001 0.000 0.267 187 G HA3 -0.210 3.751 3.960 0.001 0.000 0.267 187 G C 0.439 175.327 174.900 -0.020 0.000 0.975 187 G CA 0.084 45.172 45.100 -0.020 0.000 0.644 187 G HN 0.864 nan 8.290 nan 0.000 0.537 188 A N 0.035 122.838 122.820 -0.029 0.000 2.316 188 A HA 0.756 5.077 4.320 0.001 0.000 0.284 188 A C 0.262 177.823 177.584 -0.038 0.000 1.115 188 A CA 0.523 52.544 52.037 -0.027 0.000 0.812 188 A CB 0.535 19.518 19.000 -0.027 0.000 1.064 188 A HN 1.095 nan 8.150 nan 0.000 0.489 189 E N 1.049 121.232 120.200 -0.028 0.000 2.372 189 E HA 0.465 4.816 4.350 0.001 0.000 0.279 189 E C -1.191 175.400 176.600 -0.014 0.000 0.946 189 E CA -0.812 55.569 56.400 -0.033 0.000 0.769 189 E CB 1.276 30.973 29.700 -0.004 0.000 1.230 189 E HN 0.600 nan 8.360 nan 0.000 0.442 190 Q N 1.979 121.765 119.800 -0.023 0.000 2.307 190 Q HA 0.431 4.771 4.340 0.001 0.000 0.262 190 Q C -1.408 174.642 176.000 0.082 0.000 0.961 190 Q CA -0.815 54.999 55.803 0.018 0.000 0.882 190 Q CB 1.742 30.479 28.738 -0.002 0.000 1.264 190 Q HN 0.501 nan 8.270 nan 0.000 0.446 191 V N 4.405 124.379 119.914 0.101 0.000 2.398 191 V HA 0.393 4.514 4.120 0.001 0.000 0.286 191 V C -0.416 175.778 176.094 0.167 0.000 1.026 191 V CA -0.705 61.686 62.300 0.152 0.000 0.868 191 V CB 1.634 33.509 31.823 0.088 0.000 0.982 191 V HN 0.590 nan 8.190 nan 0.000 0.443 192 V N 6.466 126.522 119.914 0.238 0.000 2.378 192 V HA 0.473 4.593 4.120 0.001 0.000 0.288 192 V C 0.042 176.196 176.094 0.100 0.000 1.016 192 V CA -0.730 61.673 62.300 0.171 0.000 0.840 192 V CB 1.624 33.594 31.823 0.245 0.000 0.994 192 V HN 0.814 nan 8.190 nan 0.000 0.431 193 R N 5.738 126.222 120.500 -0.026 0.000 2.233 193 R HA 0.324 4.665 4.340 0.001 0.000 0.334 193 R C 0.387 176.339 176.300 -0.580 0.000 1.037 193 R CA -0.537 55.448 56.100 -0.191 0.000 0.920 193 R CB 0.346 30.483 30.300 -0.272 0.000 1.137 193 R HN 1.056 nan 8.270 nan 0.000 0.492 194 H N 0.343 119.451 119.070 0.063 0.000 2.207 194 H HA -0.106 4.450 4.556 0.001 0.000 0.325 194 H C -2.203 173.150 175.328 0.041 0.000 0.959 194 H CA -0.402 55.664 56.048 0.032 0.000 1.085 194 H CB -1.529 28.253 29.762 0.033 0.000 1.582 194 H HN 0.398 nan 8.280 nan 0.000 0.361 195 P HA 0.044 nan 4.420 nan 0.000 0.272 195 P C 0.665 178.016 177.300 0.084 0.000 1.240 195 P CA -0.253 62.866 63.100 0.033 0.000 0.791 195 P CB 1.176 32.896 31.700 0.034 0.000 0.978 196 D N -0.088 120.370 120.400 0.097 0.000 2.213 196 D HA 0.120 4.761 4.640 0.001 0.000 0.205 196 D C 0.711 177.080 176.300 0.115 0.000 0.961 196 D CA 1.276 55.339 54.000 0.105 0.000 0.853 196 D CB 0.389 41.255 40.800 0.110 0.000 0.967 196 D HN 0.345 nan 8.370 nan 0.000 0.496 197 I N 0.955 121.592 120.570 0.111 0.000 2.619 197 I HA 0.230 4.400 4.170 0.001 0.000 0.292 197 I C -1.335 174.847 176.117 0.109 0.000 1.100 197 I CA -0.957 60.425 61.300 0.137 0.000 1.043 197 I CB 3.032 41.098 38.000 0.109 0.000 1.239 197 I HN -0.231 nan 8.210 nan 0.000 0.420 198 L N 7.535 128.824 121.223 0.110 0.000 2.356 198 L HA 0.610 4.950 4.340 0.001 0.000 0.277 198 L C -1.064 175.852 176.870 0.077 0.000 0.996 198 L CA -0.186 54.707 54.840 0.090 0.000 0.822 198 L CB 1.477 43.576 42.059 0.068 0.000 1.256 198 L HN 0.362 nan 8.230 nan 0.000 0.413 199 I N 5.972 126.587 120.570 0.075 0.000 2.330 199 I HA 0.302 4.472 4.170 0.001 0.000 0.289 199 I C -0.954 175.193 176.117 0.049 0.000 1.001 199 I CA -0.773 60.548 61.300 0.035 0.000 1.193 199 I CB 1.694 39.719 38.000 0.043 0.000 1.345 199 I HN 0.437 nan 8.210 nan 0.000 0.461 200 L N 7.421 128.637 121.223 -0.011 0.000 2.280 200 L HA 0.394 4.735 4.340 0.001 0.000 0.287 200 L C -0.109 176.762 176.870 0.001 0.000 1.023 200 L CA 0.078 54.950 54.840 0.053 0.000 0.819 200 L CB 1.144 43.282 42.059 0.132 0.000 1.212 200 L HN 0.570 nan 8.230 nan 0.000 0.420 201 E N 3.944 124.173 120.200 0.048 0.000 2.166 201 E HA 0.719 5.070 4.350 0.001 0.000 0.275 201 E C -0.821 175.806 176.600 0.045 0.000 0.941 201 E CA -0.544 55.876 56.400 0.034 0.000 0.784 201 E CB 1.438 31.168 29.700 0.049 0.000 1.115 201 E HN 0.832 nan 8.360 nan 0.000 0.399 202 G N 2.698 111.509 108.800 0.019 0.000 2.489 202 G HA2 0.165 4.126 3.960 0.001 0.000 0.291 202 G HA3 0.165 4.126 3.960 0.001 0.000 0.291 202 G C 0.235 175.122 174.900 -0.021 0.000 1.487 202 G CA -0.707 44.393 45.100 -0.000 0.000 0.795 202 G HN 0.541 nan 8.290 nan 0.000 0.513 203 L N 0.216 121.426 121.223 -0.022 0.000 2.027 203 L HA -0.040 4.301 4.340 0.001 0.000 0.206 203 L C 2.768 179.610 176.870 -0.047 0.000 1.074 203 L CA 2.065 56.888 54.840 -0.028 0.000 0.745 203 L CB -0.386 41.671 42.059 -0.003 0.000 0.898 203 L HN 0.804 nan 8.230 nan 0.000 0.433 204 N N 0.266 118.898 118.700 -0.113 0.000 2.207 204 N HA -0.131 4.610 4.740 0.001 0.000 0.182 204 N C 1.826 177.294 175.510 -0.069 0.000 1.020 204 N CA 1.095 54.068 53.050 -0.128 0.000 0.858 204 N CB -0.620 37.693 38.487 -0.290 0.000 0.991 204 N HN 0.154 nan 8.380 nan 0.000 0.427 205 V N 0.485 120.369 119.914 -0.050 0.000 2.332 205 V HA -0.360 3.761 4.120 0.001 0.000 0.261 205 V C 1.849 178.037 176.094 0.157 0.000 1.116 205 V CA 1.916 64.276 62.300 0.101 0.000 1.110 205 V CB -1.339 30.627 31.823 0.239 0.000 0.782 205 V HN 0.386 nan 8.190 nan 0.000 0.458 206 L N 0.171 121.492 121.223 0.163 0.000 2.610 206 L HA 0.080 4.420 4.340 0.001 0.000 0.232 206 L C 1.665 178.548 176.870 0.021 0.000 1.149 206 L CA 0.254 55.177 54.840 0.138 0.000 0.872 206 L CB -0.450 41.710 42.059 0.167 0.000 0.992 206 L HN 0.564 nan 8.230 nan 0.000 0.447 207 Q N -0.016 119.773 119.800 -0.019 0.000 2.432 207 Q HA 0.061 4.401 4.340 0.001 0.000 0.264 207 Q C 0.126 176.085 176.000 -0.069 0.000 1.035 207 Q CA 0.691 56.470 55.803 -0.041 0.000 0.908 207 Q CB 1.119 29.828 28.738 -0.048 0.000 1.280 207 Q HN -0.001 nan 8.270 nan 0.000 0.455 208 T N -0.321 114.202 114.554 -0.052 0.000 2.916 208 T HA 0.780 5.131 4.350 0.001 0.000 0.292 208 T C -0.637 174.038 174.700 -0.042 0.000 1.055 208 T CA 0.011 62.076 62.100 -0.059 0.000 1.009 208 T CB 1.658 70.496 68.868 -0.051 0.000 1.118 208 T HN 0.783 nan 8.240 nan 0.000 0.497 209 G N 1.848 110.622 108.800 -0.043 0.000 2.570 209 G HA2 0.538 4.499 3.960 0.001 0.000 0.310 209 G HA3 0.538 4.499 3.960 0.001 0.000 0.310 209 G C -2.160 172.724 174.900 -0.027 0.000 1.266 209 G CA -0.605 44.478 45.100 -0.028 0.000 0.825 209 G HN 0.538 nan 8.290 nan 0.000 0.483 210 P HA 0.169 nan 4.420 nan 0.000 0.247 210 P C 0.262 177.551 177.300 -0.019 0.000 1.225 210 P CA 0.889 63.980 63.100 -0.016 0.000 0.768 210 P CB 0.465 32.161 31.700 -0.008 0.000 1.020 211 T N -0.280 114.258 114.554 -0.026 0.000 2.900 211 T HA 0.368 4.719 4.350 0.001 0.000 0.303 211 T C -1.140 173.532 174.700 -0.045 0.000 1.142 211 T CA -0.805 61.278 62.100 -0.029 0.000 1.007 211 T CB 1.065 69.920 68.868 -0.021 0.000 1.156 211 T HN -0.165 nan 8.240 nan 0.000 0.490 212 L N 4.626 125.821 121.223 -0.047 0.000 2.534 212 L HA 0.375 4.716 4.340 0.001 0.000 0.271 212 L C -0.086 176.732 176.870 -0.087 0.000 1.178 212 L CA 1.032 55.833 54.840 -0.065 0.000 0.907 212 L CB -0.358 41.668 42.059 -0.055 0.000 1.164 212 L HN 0.677 nan 8.230 nan 0.000 0.482 213 M N 3.605 123.132 119.600 -0.121 0.000 2.821 213 M HA 0.219 4.700 4.480 0.001 0.000 0.304 213 M C 1.176 177.327 176.300 -0.249 0.000 1.233 213 M CA -0.957 54.247 55.300 -0.160 0.000 0.851 213 M CB 1.643 34.151 32.600 -0.153 0.000 1.723 213 M HN 0.244 nan 8.290 nan 0.000 0.493 214 V N 0.747 120.486 119.914 -0.291 0.000 2.546 214 V HA -0.245 3.876 4.120 0.001 0.000 0.254 214 V C 2.325 177.855 176.094 -0.940 0.000 1.076 214 V CA 2.646 64.688 62.300 -0.430 0.000 1.087 214 V CB -0.580 31.063 31.823 -0.300 0.000 0.674 214 V HN 1.049 nan 8.190 nan 0.000 0.470 215 S N -1.155 114.050 115.700 -0.824 0.000 2.481 215 S HA -0.141 4.329 4.470 0.001 0.000 0.231 215 S C 1.414 175.643 174.600 -0.619 0.000 0.996 215 S CA 1.105 58.698 58.200 -1.010 0.000 0.942 215 S CB -0.298 62.667 63.200 -0.391 0.000 0.768 215 S HN 0.654 nan 8.310 nan 0.000 0.520 216 D N 0.614 120.767 120.400 -0.412 0.000 2.349 216 D HA 0.145 4.786 4.640 0.001 0.000 0.224 216 D C 0.655 176.848 176.300 -0.178 0.000 1.029 216 D CA 0.298 54.163 54.000 -0.224 0.000 0.879 216 D CB 0.271 40.978 40.800 -0.155 0.000 0.906 216 D HN 0.338 nan 8.370 nan 0.000 0.528 217 L N -0.315 120.750 121.223 -0.264 0.000 2.766 217 L HA 0.220 4.560 4.340 0.001 0.000 0.242 217 L C 0.325 177.230 176.870 0.058 0.000 1.136 217 L CA -0.035 54.748 54.840 -0.096 0.000 0.933 217 L CB -0.054 41.947 42.059 -0.097 0.000 1.241 217 L HN -0.109 nan 8.230 nan 0.000 0.522 218 F N 0.365 120.274 119.950 -0.069 0.000 2.443 218 F HA 0.061 4.589 4.527 0.001 0.000 0.353 218 F C 1.283 176.998 175.800 -0.141 0.000 1.101 218 F CA -0.511 57.428 58.000 -0.101 0.000 1.226 218 F CB 1.001 39.957 39.000 -0.073 0.000 1.140 218 F HN 0.073 nan 8.300 nan 0.000 0.557 219 D N 2.250 122.587 120.400 -0.104 0.000 2.355 219 D HA 0.052 4.693 4.640 0.001 0.000 0.206 219 D C -0.399 175.844 176.300 -0.095 0.000 1.010 219 D CA 0.895 54.717 54.000 -0.296 0.000 0.875 219 D CB 0.736 40.932 40.800 -1.006 0.000 0.966 219 D HN 0.276 nan 8.370 nan 0.000 0.512 220 F N 0.642 120.466 119.950 -0.209 0.000 2.654 220 F HA 0.336 4.864 4.527 0.001 0.000 0.308 220 F C -1.470 174.296 175.800 -0.057 0.000 1.108 220 F CA -0.756 57.242 58.000 -0.002 0.000 0.957 220 F CB 1.816 40.934 39.000 0.196 0.000 1.309 220 F HN -0.228 nan 8.300 nan 0.000 0.446 221 S N 4.598 120.037 115.700 -0.434 0.000 2.536 221 S HA 0.814 5.285 4.470 0.001 0.000 0.271 221 S C -1.981 172.496 174.600 -0.204 0.000 1.134 221 S CA -0.818 57.253 58.200 -0.215 0.000 0.897 221 S CB 1.753 64.899 63.200 -0.090 0.000 1.094 221 S HN 0.749 nan 8.310 nan 0.000 0.473 222 L N 2.676 123.883 121.223 -0.027 0.000 2.346 222 L HA 0.613 4.954 4.340 0.001 0.000 0.274 222 L C -1.379 175.526 176.870 0.059 0.000 1.007 222 L CA -0.864 53.994 54.840 0.030 0.000 0.818 222 L CB 1.895 43.998 42.059 0.074 0.000 1.284 222 L HN 0.885 nan 8.230 nan 0.000 0.424 223 Y N 2.806 123.075 120.300 -0.053 0.000 2.363 223 Y HA 0.486 5.037 4.550 0.001 0.000 0.325 223 Y C -0.820 175.061 175.900 -0.032 0.000 0.984 223 Y CA -0.903 57.175 58.100 -0.037 0.000 1.248 223 Y CB 1.331 39.762 38.460 -0.048 0.000 1.116 223 Y HN 0.208 nan 8.280 nan 0.000 0.470 224 V N 6.308 126.045 119.914 -0.296 0.000 2.405 224 V HA 0.119 4.240 4.120 0.001 0.000 0.264 224 V C -0.091 175.874 176.094 -0.215 0.000 1.048 224 V CA 0.088 62.294 62.300 -0.157 0.000 0.966 224 V CB 0.609 32.377 31.823 -0.092 0.000 1.015 224 V HN 0.759 nan 8.190 nan 0.000 0.477 225 D N 3.490 123.916 120.400 0.044 0.000 2.392 225 D HA 0.874 5.515 4.640 0.001 0.000 0.246 225 D C -0.345 176.009 176.300 0.090 0.000 1.013 225 D CA 0.111 54.202 54.000 0.151 0.000 0.993 225 D CB 2.083 43.069 40.800 0.311 0.000 1.219 225 D HN 0.867 nan 8.370 nan 0.000 0.538 226 A N 1.045 123.893 122.820 0.045 0.000 2.569 226 A HA 0.396 4.717 4.320 0.001 0.000 0.292 226 A C -1.027 176.483 177.584 -0.123 0.000 1.032 226 A CA -0.798 51.206 52.037 -0.055 0.000 0.669 226 A CB 0.880 19.793 19.000 -0.145 0.000 1.290 226 A HN 0.510 nan 8.150 nan 0.000 0.422 227 R N 1.158 121.555 120.500 -0.173 0.000 2.538 227 R HA 0.125 4.466 4.340 0.001 0.000 0.282 227 R C 1.081 177.250 176.300 -0.217 0.000 1.009 227 R CA 0.267 56.272 56.100 -0.159 0.000 1.063 227 R CB 0.177 30.384 30.300 -0.155 0.000 0.945 227 R HN 0.800 nan 8.270 nan 0.000 0.414 228 I N 3.472 123.978 120.570 -0.108 0.000 2.335 228 I HA -0.264 3.906 4.170 0.001 0.000 0.251 228 I C 0.982 177.026 176.117 -0.122 0.000 1.129 228 I CA 1.635 62.908 61.300 -0.045 0.000 1.402 228 I CB 0.217 38.255 38.000 0.064 0.000 1.069 228 I HN 0.699 nan 8.210 nan 0.000 0.424 229 E N 0.694 120.797 120.200 -0.161 0.000 2.208 229 E HA -0.180 4.171 4.350 0.001 0.000 0.193 229 E C 1.677 178.061 176.600 -0.359 0.000 0.988 229 E CA 1.015 57.293 56.400 -0.204 0.000 0.828 229 E CB -0.171 29.446 29.700 -0.138 0.000 0.763 229 E HN 0.508 nan 8.360 nan 0.000 0.478 230 D N 0.073 120.194 120.400 -0.465 0.000 2.149 230 D HA -0.040 4.601 4.640 0.001 0.000 0.201 230 D C 1.892 177.457 176.300 -1.225 0.000 0.972 230 D CA 0.682 54.216 54.000 -0.777 0.000 0.835 230 D CB -0.056 40.242 40.800 -0.838 0.000 0.966 230 D HN 0.214 nan 8.370 nan 0.000 0.476 231 I N 1.077 121.066 120.570 -0.968 0.000 2.394 231 I HA -0.199 3.971 4.170 0.001 0.000 0.251 231 I C 2.449 178.144 176.117 -0.704 0.000 1.136 231 I CA 0.923 61.784 61.300 -0.731 0.000 1.425 231 I CB -0.232 37.625 38.000 -0.238 0.000 1.079 231 I HN 0.018 nan 8.210 nan 0.000 0.425 232 E N 1.055 120.648 120.200 -1.012 0.000 2.077 232 E HA -0.314 4.037 4.350 0.001 0.000 0.193 232 E C 2.200 178.445 176.600 -0.591 0.000 0.989 232 E CA 1.294 56.844 56.400 -1.416 0.000 0.800 232 E CB 0.018 28.897 29.700 -1.369 0.000 0.746 232 E HN 0.302 nan 8.360 nan 0.000 0.452 233 Q N 0.271 119.816 119.800 -0.424 0.000 2.061 233 Q HA -0.173 4.168 4.340 0.001 0.000 0.204 233 Q C 1.679 177.716 176.000 0.061 0.000 0.984 233 Q CA 2.186 57.892 55.803 -0.162 0.000 0.846 233 Q CB -0.579 28.086 28.738 -0.121 0.000 0.902 233 Q HN 0.437 nan 8.270 nan 0.000 0.421 234 W N -0.370 120.867 121.300 -0.105 0.000 2.338 234 W HA -0.171 4.490 4.660 0.001 0.000 0.304 234 W C 2.274 178.790 176.519 -0.004 0.000 1.212 234 W CA 0.944 58.289 57.345 -0.001 0.000 1.264 234 W CB -1.663 27.812 29.460 0.025 0.000 1.142 234 W HN 0.326 nan 8.180 nan 0.000 0.512 235 Y N 0.873 121.218 120.300 0.075 0.000 2.089 235 Y HA -0.263 4.288 4.550 0.001 0.000 0.282 235 Y C 2.434 178.374 175.900 0.067 0.000 1.139 235 Y CA 2.498 60.633 58.100 0.057 0.000 1.123 235 Y CB -0.878 37.544 38.460 -0.063 0.000 0.980 235 Y HN -0.258 nan 8.280 nan 0.000 0.493 236 V N -0.426 119.423 119.914 -0.108 0.000 2.255 236 V HA -0.325 3.796 4.120 0.001 0.000 0.247 236 V C 2.694 178.748 176.094 -0.067 0.000 1.051 236 V CA 2.159 64.378 62.300 -0.135 0.000 1.018 236 V CB -1.309 30.478 31.823 -0.060 0.000 0.641 236 V HN 0.572 nan 8.190 nan 0.000 0.445 237 S N -0.293 115.399 115.700 -0.013 0.000 2.368 237 S HA -0.338 4.133 4.470 0.001 0.000 0.226 237 S C 2.241 176.825 174.600 -0.028 0.000 1.044 237 S CA 2.402 60.608 58.200 0.011 0.000 1.062 237 S CB -0.432 62.806 63.200 0.064 0.000 0.931 237 S HN 0.541 nan 8.310 nan 0.000 0.440 238 R N -1.044 119.425 120.500 -0.053 0.000 2.096 238 R HA -0.098 4.243 4.340 0.001 0.000 0.235 238 R C 2.179 178.374 176.300 -0.175 0.000 1.127 238 R CA 1.698 57.729 56.100 -0.115 0.000 0.968 238 R CB -0.558 29.685 30.300 -0.095 0.000 0.861 238 R HN 0.573 nan 8.270 nan 0.000 0.440 239 F N 1.115 120.861 119.950 -0.339 0.000 2.095 239 F HA -0.202 4.326 4.527 0.001 0.000 0.298 239 F C 1.810 177.512 175.800 -0.164 0.000 1.104 239 F CA 1.527 59.348 58.000 -0.298 0.000 1.232 239 F CB -0.096 38.667 39.000 -0.395 0.000 0.987 239 F HN -0.020 nan 8.300 nan 0.000 0.475 240 L N -0.268 121.016 121.223 0.102 0.000 2.083 240 L HA -0.181 4.160 4.340 0.001 0.000 0.209 240 L C 2.711 179.536 176.870 -0.075 0.000 1.083 240 L CA 1.185 56.061 54.840 0.060 0.000 0.752 240 L CB -1.460 40.642 42.059 0.071 0.000 0.899 240 L HN 0.245 nan 8.230 nan 0.000 0.433 241 A N -0.255 122.487 122.820 -0.130 0.000 2.067 241 A HA -0.121 4.200 4.320 0.001 0.000 0.219 241 A C 2.188 179.603 177.584 -0.280 0.000 1.158 241 A CA 1.110 53.047 52.037 -0.167 0.000 0.661 241 A CB -0.358 18.550 19.000 -0.153 0.000 0.801 241 A HN 0.385 nan 8.150 nan 0.000 0.452 242 M N -1.297 118.009 119.600 -0.489 0.000 2.595 242 M HA 0.020 4.500 4.480 0.001 0.000 0.248 242 M C 1.827 177.696 176.300 -0.718 0.000 1.119 242 M CA 0.481 55.279 55.300 -0.837 0.000 1.079 242 M CB -0.136 31.490 32.600 -1.623 0.000 1.472 242 M HN 0.302 nan 8.290 nan 0.000 0.501 243 R N 0.432 120.756 120.500 -0.293 0.000 2.152 243 R HA -0.089 4.252 4.340 0.001 0.000 0.232 243 R C 2.058 178.350 176.300 -0.014 0.000 1.117 243 R CA 1.905 58.008 56.100 0.006 0.000 0.981 243 R CB -0.535 29.795 30.300 0.051 0.000 0.870 243 R HN 0.444 nan 8.270 nan 0.000 0.451 244 T N -4.002 110.502 114.554 -0.083 0.000 3.054 244 T HA 0.118 4.469 4.350 0.001 0.000 0.255 244 T C 1.333 175.988 174.700 -0.075 0.000 1.035 244 T CA 0.405 62.476 62.100 -0.048 0.000 0.941 244 T CB 0.427 69.271 68.868 -0.040 0.000 1.026 244 T HN 0.276 nan 8.240 nan 0.000 0.533 245 T N -0.007 114.457 114.554 -0.151 0.000 3.422 245 T HA 0.601 4.952 4.350 0.001 0.000 0.192 245 T C 2.254 176.874 174.700 -0.132 0.000 0.857 245 T CA 0.518 62.532 62.100 -0.144 0.000 1.400 245 T CB -0.693 68.063 68.868 -0.186 0.000 1.864 245 T HN 0.149 nan 8.240 nan 0.000 0.415 246 A N 1.095 123.775 122.820 -0.233 0.000 1.877 246 A HA 0.126 4.446 4.320 0.001 0.000 0.216 246 A C 2.105 179.737 177.584 0.081 0.000 1.186 246 A CA 1.620 53.581 52.037 -0.126 0.000 0.620 246 A CB -1.336 17.544 19.000 -0.201 0.000 0.822 246 A HN 0.556 nan 8.150 nan 0.000 0.443 247 F N 0.282 120.220 119.950 -0.020 0.000 2.365 247 F HA 0.038 4.566 4.527 0.001 0.000 0.300 247 F C 2.668 178.557 175.800 0.148 0.000 1.090 247 F CA -0.056 57.968 58.000 0.040 0.000 1.408 247 F CB -1.259 37.691 39.000 -0.083 0.000 1.060 247 F HN 0.270 nan 8.300 nan 0.000 0.534 248 A N -0.767 122.199 122.820 0.243 0.000 2.019 248 A HA -0.178 4.143 4.320 0.001 0.000 0.219 248 A C 1.192 178.913 177.584 0.228 0.000 1.164 248 A CA 0.974 53.149 52.037 0.231 0.000 0.644 248 A CB -0.762 18.297 19.000 0.099 0.000 0.805 248 A HN 0.219 nan 8.150 nan 0.000 0.449 249 D N -0.516 119.969 120.400 0.142 0.000 2.417 249 D HA 0.144 4.785 4.640 0.001 0.000 0.250 249 D C -1.771 174.452 176.300 -0.128 0.000 1.166 249 D CA -1.703 52.308 54.000 0.018 0.000 0.881 249 D CB 1.152 41.964 40.800 0.020 0.000 1.164 249 D HN 0.005 nan 8.370 nan 0.000 0.467 250 P HA -0.091 nan 4.420 nan 0.000 0.218 250 P C 0.762 177.927 177.300 -0.225 0.000 1.149 250 P CA 0.751 63.497 63.100 -0.589 0.000 0.817 250 P CB 0.355 31.836 31.700 -0.364 0.000 0.785 251 E N -0.545 119.600 120.200 -0.093 0.000 2.478 251 E HA -0.009 4.342 4.350 0.001 0.000 0.198 251 E C 0.735 177.346 176.600 0.017 0.000 1.046 251 E CA 0.405 56.807 56.400 0.003 0.000 0.870 251 E CB -0.552 29.157 29.700 0.015 0.000 0.818 251 E HN 0.133 nan 8.360 nan 0.000 0.527 252 S N -0.128 115.596 115.700 0.040 0.000 2.564 252 S HA -0.017 4.454 4.470 0.001 0.000 0.278 252 S C 0.960 175.645 174.600 0.141 0.000 1.333 252 S CA -0.347 57.934 58.200 0.136 0.000 1.048 252 S CB 0.766 64.125 63.200 0.266 0.000 0.900 252 S HN 0.226 nan 8.310 nan 0.000 0.505 253 H N 3.410 122.478 119.070 -0.004 0.000 2.546 253 H HA 0.152 4.709 4.556 0.001 0.000 0.277 253 H C 0.143 175.163 175.328 -0.513 0.000 1.004 253 H CA 1.458 57.344 56.048 -0.271 0.000 1.231 253 H CB -0.057 29.449 29.762 -0.428 0.000 1.382 253 H HN 0.648 nan 8.280 nan 0.000 0.580 254 F N -1.715 118.201 119.950 -0.057 0.000 2.735 254 F HA 0.168 4.696 4.527 0.001 0.000 0.304 254 F C 1.505 177.063 175.800 -0.404 0.000 1.119 254 F CA -0.261 57.518 58.000 -0.368 0.000 1.280 254 F CB -0.068 38.573 39.000 -0.597 0.000 0.994 254 F HN 0.200 nan 8.300 nan 0.000 0.520 255 H N 0.831 119.871 119.070 -0.050 0.000 2.492 255 H HA -0.215 4.342 4.556 0.001 0.000 0.296 255 H C 2.454 177.747 175.328 -0.059 0.000 1.095 255 H CA 2.312 58.359 56.048 -0.003 0.000 1.281 255 H CB -0.194 29.588 29.762 0.034 0.000 1.374 255 H HN 0.399 nan 8.280 nan 0.000 0.545 256 H N -1.982 116.888 119.070 -0.333 0.000 2.524 256 H HA -0.121 4.436 4.556 0.001 0.000 0.282 256 H C 1.224 176.357 175.328 -0.324 0.000 1.016 256 H CA 1.092 56.944 56.048 -0.327 0.000 1.270 256 H CB -0.965 28.622 29.762 -0.290 0.000 1.394 256 H HN 0.535 nan 8.280 nan 0.000 0.568 257 Y N 1.126 120.871 120.300 -0.925 0.000 2.457 257 Y HA 0.125 4.676 4.550 0.001 0.000 0.292 257 Y C 2.949 178.596 175.900 -0.421 0.000 1.125 257 Y CA 0.384 57.825 58.100 -1.099 0.000 1.254 257 Y CB 0.116 37.766 38.460 -1.351 0.000 1.012 257 Y HN 0.345 nan 8.280 nan 0.000 0.555 258 A N 0.525 123.276 122.820 -0.115 0.000 1.948 258 A HA -0.243 4.078 4.320 0.001 0.000 0.220 258 A C 2.275 179.901 177.584 0.071 0.000 1.177 258 A CA 1.935 53.984 52.037 0.020 0.000 0.636 258 A CB -0.908 18.056 19.000 -0.061 0.000 0.815 258 A HN 0.399 nan 8.150 nan 0.000 0.449 259 A N -1.732 121.149 122.820 0.101 0.000 2.208 259 A HA 0.430 4.750 4.320 0.001 0.000 0.209 259 A C 0.445 178.210 177.584 0.301 0.000 1.161 259 A CA -0.357 51.780 52.037 0.166 0.000 0.782 259 A CB -0.371 18.695 19.000 0.110 0.000 0.816 259 A HN 0.281 nan 8.150 nan 0.000 0.477 260 F N 1.357 121.351 119.950 0.073 0.000 2.539 260 F HA 0.240 4.767 4.527 0.001 0.000 0.340 260 F C 1.517 177.368 175.800 0.086 0.000 1.185 260 F CA -0.211 57.853 58.000 0.108 0.000 1.333 260 F CB 0.464 39.580 39.000 0.193 0.000 1.152 260 F HN 0.194 nan 8.300 nan 0.000 0.602 261 S N 0.358 116.186 115.700 0.213 0.000 2.693 261 S HA 0.233 4.704 4.470 0.001 0.000 0.276 261 S C 0.661 175.356 174.600 0.159 0.000 1.192 261 S CA -0.759 57.521 58.200 0.133 0.000 0.994 261 S CB 1.109 64.346 63.200 0.061 0.000 1.012 261 S HN 0.506 nan 8.310 nan 0.000 0.550 262 D N 1.413 121.879 120.400 0.110 0.000 2.133 262 D HA -0.124 4.517 4.640 0.001 0.000 0.195 262 D C 2.024 178.386 176.300 0.102 0.000 0.997 262 D CA 1.847 55.908 54.000 0.102 0.000 0.840 262 D CB -0.752 40.087 40.800 0.064 0.000 0.947 262 D HN 0.544 nan 8.370 nan 0.000 0.452 263 S N 0.072 115.820 115.700 0.079 0.000 2.343 263 S HA -0.218 4.252 4.470 0.001 0.000 0.219 263 S C 1.897 176.547 174.600 0.085 0.000 1.033 263 S CA 1.509 59.747 58.200 0.062 0.000 1.014 263 S CB -0.157 63.065 63.200 0.037 0.000 0.915 263 S HN 0.280 nan 8.310 nan 0.000 0.435 264 Q N 0.679 120.537 119.800 0.098 0.000 2.096 264 Q HA -0.042 4.299 4.340 0.001 0.000 0.204 264 Q C 2.560 178.760 176.000 0.333 0.000 0.982 264 Q CA 1.488 57.365 55.803 0.123 0.000 0.850 264 Q CB -0.481 28.221 28.738 -0.060 0.000 0.901 264 Q HN 0.692 nan 8.270 nan 0.000 0.422 265 A N 0.700 123.765 122.820 0.408 0.000 1.902 265 A HA -0.149 4.172 4.320 0.001 0.000 0.217 265 A C 2.399 180.038 177.584 0.092 0.000 1.181 265 A CA 1.407 53.674 52.037 0.384 0.000 0.623 265 A CB -0.797 18.434 19.000 0.384 0.000 0.818 265 A HN 0.217 nan 8.150 nan 0.000 0.443 266 V N -0.520 119.442 119.914 0.080 0.000 2.343 266 V HA -0.241 3.880 4.120 0.001 0.000 0.247 266 V C 2.586 178.662 176.094 -0.030 0.000 1.051 266 V CA 1.991 64.292 62.300 0.001 0.000 1.036 266 V CB -0.693 31.143 31.823 0.023 0.000 0.654 266 V HN 0.380 nan 8.190 nan 0.000 0.451 267 V N 0.114 120.042 119.914 0.024 0.000 2.255 267 V HA -0.306 3.814 4.120 0.001 0.000 0.247 267 V C 2.687 178.782 176.094 0.002 0.000 1.051 267 V CA 2.297 64.615 62.300 0.029 0.000 1.018 267 V CB -1.055 30.806 31.823 0.062 0.000 0.641 267 V HN 0.582 nan 8.190 nan 0.000 0.445 268 A N -0.312 122.509 122.820 0.001 0.000 1.877 268 A HA -0.133 4.187 4.320 0.001 0.000 0.216 268 A C 2.432 179.799 177.584 -0.361 0.000 1.186 268 A CA 2.202 54.186 52.037 -0.089 0.000 0.620 268 A CB -0.907 18.080 19.000 -0.021 0.000 0.822 268 A HN 0.601 nan 8.150 nan 0.000 0.443 269 A N -0.214 122.192 122.820 -0.689 0.000 1.883 269 A HA -0.220 4.100 4.320 0.001 0.000 0.217 269 A C 2.255 179.830 177.584 -0.016 0.000 1.186 269 A CA 1.760 53.401 52.037 -0.660 0.000 0.624 269 A CB -0.533 18.055 19.000 -0.686 0.000 0.822 269 A HN 0.550 nan 8.150 nan 0.000 0.444 270 R N -1.099 119.393 120.500 -0.013 0.000 2.096 270 R HA -0.150 4.191 4.340 0.001 0.000 0.235 270 R C 2.230 178.609 176.300 0.133 0.000 1.127 270 R CA 1.492 57.653 56.100 0.100 0.000 0.968 270 R CB -0.200 30.129 30.300 0.048 0.000 0.861 270 R HN 0.584 nan 8.270 nan 0.000 0.440 271 E N 0.932 121.170 120.200 0.064 0.000 2.106 271 E HA -0.098 4.252 4.350 0.001 0.000 0.192 271 E C 1.704 178.347 176.600 0.072 0.000 0.984 271 E CA 1.085 57.524 56.400 0.065 0.000 0.806 271 E CB -0.046 29.685 29.700 0.051 0.000 0.750 271 E HN 0.281 nan 8.360 nan 0.000 0.458 272 I N -0.234 120.386 120.570 0.084 0.000 2.202 272 I HA -0.222 3.949 4.170 0.001 0.000 0.242 272 I C 2.385 178.519 176.117 0.029 0.000 1.091 272 I CA 1.089 62.447 61.300 0.097 0.000 1.368 272 I CB -0.585 37.515 38.000 0.167 0.000 1.058 272 I HN 0.324 nan 8.210 nan 0.000 0.410 273 W N 2.986 124.197 121.300 -0.148 0.000 2.318 273 W HA -0.270 4.391 4.660 0.001 0.000 0.313 273 W C 2.729 179.177 176.519 -0.117 0.000 1.221 273 W CA 1.796 58.981 57.345 -0.265 0.000 1.266 273 W CB -0.354 28.976 29.460 -0.217 0.000 1.150 273 W HN 0.114 nan 8.180 nan 0.000 0.496 274 R N 0.045 120.578 120.500 0.054 0.000 2.081 274 R HA -0.173 4.167 4.340 0.001 0.000 0.235 274 R C 2.307 178.565 176.300 -0.070 0.000 1.131 274 R CA 2.669 58.768 56.100 -0.001 0.000 0.960 274 R CB -0.606 29.742 30.300 0.080 0.000 0.856 274 R HN 0.246 nan 8.270 nan 0.000 0.436 275 T N -2.910 111.622 114.554 -0.036 0.000 3.065 275 T HA 0.197 4.548 4.350 0.001 0.000 0.252 275 T C 1.657 176.373 174.700 0.027 0.000 1.099 275 T CA 0.214 62.307 62.100 -0.012 0.000 1.063 275 T CB 0.213 69.078 68.868 -0.004 0.000 0.948 275 T HN 0.199 nan 8.240 nan 0.000 0.506 276 I N 0.189 120.751 120.570 -0.013 0.000 3.664 276 I HA 0.186 4.357 4.170 0.001 0.000 0.251 276 I C 1.880 177.937 176.117 -0.100 0.000 1.134 276 I CA -0.282 61.084 61.300 0.110 0.000 1.520 276 I CB 0.055 38.157 38.000 0.171 0.000 1.638 276 I HN -0.046 nan 8.210 nan 0.000 0.431 277 N N 1.690 120.177 118.700 -0.355 0.000 2.166 277 N HA -0.136 4.605 4.740 0.001 0.000 0.186 277 N C 1.806 176.759 175.510 -0.927 0.000 1.019 277 N CA 1.221 53.897 53.050 -0.623 0.000 0.856 277 N CB -0.334 37.733 38.487 -0.702 0.000 0.993 277 N HN 0.278 nan 8.380 nan 0.000 0.426 278 R N 0.771 120.534 120.500 -1.228 0.000 2.070 278 R HA -0.063 4.278 4.340 0.001 0.000 0.232 278 R C -0.646 175.387 176.300 -0.446 0.000 1.138 278 R CA 1.328 56.832 56.100 -0.994 0.000 0.936 278 R CB -1.010 28.780 30.300 -0.851 0.000 0.839 278 R HN 0.151 nan 8.270 nan 0.000 0.429 279 P HA -0.153 nan 4.420 nan 0.000 0.216 279 P C 0.505 177.719 177.300 -0.145 0.000 1.153 279 P CA 1.449 64.495 63.100 -0.089 0.000 0.858 279 P CB -0.137 31.616 31.700 0.088 0.000 0.789 280 N N -0.749 117.723 118.700 -0.380 0.000 2.142 280 N HA -0.144 4.596 4.740 0.001 0.000 0.186 280 N C 1.559 176.849 175.510 -0.367 0.000 1.023 280 N CA 0.864 53.500 53.050 -0.690 0.000 0.852 280 N CB -1.033 36.756 38.487 -1.164 0.000 0.998 280 N HN -0.090 nan 8.380 nan 0.000 0.424 281 L N 0.236 121.267 121.223 -0.319 0.000 2.012 281 L HA -0.060 4.280 4.340 0.001 0.000 0.210 281 L C 1.964 178.773 176.870 -0.102 0.000 1.073 281 L CA 1.579 56.309 54.840 -0.183 0.000 0.748 281 L CB -0.912 41.034 42.059 -0.188 0.000 0.891 281 L HN 0.078 nan 8.230 nan 0.000 0.431 282 V N -0.199 119.647 119.914 -0.112 0.000 2.358 282 V HA -0.214 3.907 4.120 0.001 0.000 0.246 282 V C 2.417 178.486 176.094 -0.041 0.000 1.047 282 V CA 2.049 64.314 62.300 -0.058 0.000 1.035 282 V CB -0.636 31.156 31.823 -0.052 0.000 0.658 282 V HN 0.526 nan 8.190 nan 0.000 0.452 283 E N -0.315 119.857 120.200 -0.045 0.000 2.250 283 E HA -0.008 4.343 4.350 0.001 0.000 0.192 283 E C 1.580 178.172 176.600 -0.013 0.000 0.986 283 E CA 0.668 57.062 56.400 -0.009 0.000 0.849 283 E CB 0.079 29.805 29.700 0.043 0.000 0.797 283 E HN 0.597 nan 8.360 nan 0.000 0.482 284 N N -0.107 118.562 118.700 -0.052 0.000 2.594 284 N HA 0.136 4.877 4.740 0.001 0.000 0.237 284 N C 1.858 177.354 175.510 -0.023 0.000 1.057 284 N CA 0.246 53.273 53.050 -0.038 0.000 0.883 284 N CB 0.506 38.955 38.487 -0.063 0.000 1.538 284 N HN 0.040 nan 8.380 nan 0.000 0.451 285 I N 1.811 122.364 120.570 -0.028 0.000 2.130 285 I HA -0.126 4.044 4.170 0.001 0.000 0.234 285 I C 2.324 178.515 176.117 0.123 0.000 1.067 285 I CA 0.821 62.154 61.300 0.055 0.000 1.339 285 I CB -0.432 37.592 38.000 0.040 0.000 1.073 285 I HN -0.052 nan 8.210 nan 0.000 0.405 286 L N 0.755 122.034 121.223 0.094 0.000 2.089 286 L HA -0.196 4.145 4.340 0.001 0.000 0.213 286 L C -0.519 176.318 176.870 -0.055 0.000 1.079 286 L CA 1.745 56.611 54.840 0.042 0.000 0.758 286 L CB -1.439 40.632 42.059 0.019 0.000 0.891 286 L HN 0.204 nan 8.230 nan 0.000 0.433 287 P HA -0.080 nan 4.420 nan 0.000 0.239 287 P C 1.129 178.397 177.300 -0.054 0.000 1.184 287 P CA 1.107 64.180 63.100 -0.045 0.000 0.760 287 P CB -0.055 31.630 31.700 -0.024 0.000 0.884 288 T N -4.887 109.637 114.554 -0.049 0.000 3.022 288 T HA 0.106 4.457 4.350 0.001 0.000 0.250 288 T C 1.807 176.430 174.700 -0.129 0.000 1.060 288 T CA -0.205 61.872 62.100 -0.038 0.000 1.013 288 T CB -0.319 68.573 68.868 0.040 0.000 0.982 288 T HN -0.050 nan 8.240 nan 0.000 0.508 289 R N 1.974 122.257 120.500 -0.361 0.000 2.117 289 R HA -0.049 4.292 4.340 0.001 0.000 0.243 289 R C -0.875 175.196 176.300 -0.382 0.000 1.143 289 R CA 1.590 57.233 56.100 -0.762 0.000 0.968 289 R CB -1.202 28.388 30.300 -1.184 0.000 0.863 289 R HN 0.347 nan 8.270 nan 0.000 0.444 290 P HA -0.134 nan 4.420 nan 0.000 0.219 290 P C 0.492 177.831 177.300 0.066 0.000 1.146 290 P CA 1.341 64.414 63.100 -0.044 0.000 0.808 290 P CB -0.034 31.670 31.700 0.005 0.000 0.779 291 R N -0.959 119.541 120.500 -0.000 0.000 2.297 291 R HA 0.246 4.587 4.340 0.001 0.000 0.197 291 R C 0.623 176.932 176.300 0.016 0.000 0.943 291 R CA -0.178 55.935 56.100 0.021 0.000 1.038 291 R CB -0.102 30.201 30.300 0.005 0.000 0.957 291 R HN 0.106 nan 8.270 nan 0.000 0.484 292 A N 0.636 123.450 122.820 -0.009 0.000 2.488 292 A HA 0.076 4.397 4.320 0.001 0.000 0.249 292 A C 1.089 178.632 177.584 -0.068 0.000 1.083 292 A CA -0.024 51.998 52.037 -0.026 0.000 0.768 292 A CB 0.485 19.486 19.000 0.003 0.000 1.017 292 A HN 0.177 nan 8.150 nan 0.000 0.496 293 T N 1.738 116.163 114.554 -0.215 0.000 2.684 293 T HA -0.068 4.283 4.350 0.001 0.000 0.267 293 T C 0.522 175.097 174.700 -0.209 0.000 1.036 293 T CA 1.744 63.644 62.100 -0.334 0.000 1.148 293 T CB -0.304 67.990 68.868 -0.957 0.000 0.863 293 T HN 0.505 nan 8.240 nan 0.000 0.436 294 L N 0.803 121.895 121.223 -0.217 0.000 2.401 294 L HA 0.631 4.971 4.340 0.001 0.000 0.266 294 L C -1.525 175.316 176.870 -0.048 0.000 0.991 294 L CA -0.920 53.879 54.840 -0.069 0.000 0.818 294 L CB 2.293 44.370 42.059 0.030 0.000 1.321 294 L HN -0.149 nan 8.230 nan 0.000 0.413 295 V N 5.756 125.632 119.914 -0.064 0.000 2.409 295 V HA 0.457 4.578 4.120 0.001 0.000 0.291 295 V C -0.362 175.687 176.094 -0.075 0.000 1.020 295 V CA -0.502 61.789 62.300 -0.016 0.000 0.848 295 V CB 1.638 33.426 31.823 -0.058 0.000 0.990 295 V HN 0.576 nan 8.190 nan 0.000 0.430 296 L N 6.084 127.278 121.223 -0.047 0.000 2.264 296 L HA 0.544 4.885 4.340 0.001 0.000 0.287 296 L C 0.363 177.218 176.870 -0.025 0.000 1.039 296 L CA -0.334 54.442 54.840 -0.107 0.000 0.829 296 L CB 0.643 42.624 42.059 -0.130 0.000 1.211 296 L HN 0.527 nan 8.230 nan 0.000 0.427 297 R N 3.447 123.926 120.500 -0.035 0.000 2.221 297 R HA 0.411 4.751 4.340 0.001 0.000 0.327 297 R C -0.593 175.726 176.300 0.032 0.000 1.033 297 R CA -0.514 55.592 56.100 0.010 0.000 0.887 297 R CB 1.145 31.440 30.300 -0.008 0.000 1.057 297 R HN 0.443 nan 8.270 nan 0.000 0.455 298 K N 1.805 122.257 120.400 0.086 0.000 2.156 298 K HA 0.246 4.567 4.320 0.001 0.000 0.254 298 K C -0.600 176.091 176.600 0.151 0.000 0.950 298 K CA -0.869 55.506 56.287 0.146 0.000 0.849 298 K CB 1.405 34.067 32.500 0.270 0.000 1.100 298 K HN 0.403 nan 8.250 nan 0.000 0.434 299 D N 0.500 120.991 120.400 0.151 0.000 2.387 299 D HA 0.117 4.758 4.640 0.001 0.000 0.251 299 D C 1.112 177.551 176.300 0.232 0.000 1.141 299 D CA -0.183 53.894 54.000 0.128 0.000 0.987 299 D CB 1.346 42.202 40.800 0.094 0.000 1.116 299 D HN 0.594 nan 8.370 nan 0.000 0.491 300 A N 1.022 123.941 122.820 0.164 0.000 2.054 300 A HA -0.250 4.070 4.320 0.001 0.000 0.223 300 A C 1.252 179.072 177.584 0.393 0.000 1.169 300 A CA 2.240 54.420 52.037 0.238 0.000 0.655 300 A CB -0.577 18.488 19.000 0.108 0.000 0.812 300 A HN 0.635 nan 8.150 nan 0.000 0.462 301 D N -3.678 116.874 120.400 0.254 0.000 2.336 301 D HA 0.125 4.766 4.640 0.001 0.000 0.229 301 D C 0.495 176.932 176.300 0.229 0.000 1.061 301 D CA 0.566 54.699 54.000 0.222 0.000 0.875 301 D CB -0.569 40.307 40.800 0.128 0.000 0.904 301 D HN 0.646 nan 8.370 nan 0.000 0.525 302 H N -2.262 116.835 119.070 0.044 0.000 3.636 302 H HA -0.175 4.382 4.556 0.001 0.000 0.179 302 H C -0.019 175.281 175.328 -0.048 0.000 0.968 302 H CA 0.882 56.799 56.048 -0.219 0.000 1.220 302 H CB -1.936 27.523 29.762 -0.506 0.000 1.023 302 H HN 0.191 nan 8.280 nan 0.000 0.366 303 S N 0.222 115.994 115.700 0.119 0.000 2.548 303 S HA 0.391 4.862 4.470 0.001 0.000 0.277 303 S C 0.569 175.221 174.600 0.085 0.000 1.315 303 S CA -0.579 57.674 58.200 0.089 0.000 1.050 303 S CB 0.319 63.564 63.200 0.076 0.000 0.918 303 S HN 0.309 nan 8.310 nan 0.000 0.497 304 I N 5.565 126.175 120.570 0.066 0.000 2.308 304 I HA 0.196 4.367 4.170 0.001 0.000 0.293 304 I C 0.722 176.850 176.117 0.017 0.000 1.078 304 I CA -0.202 61.114 61.300 0.028 0.000 1.292 304 I CB 0.440 38.427 38.000 -0.020 0.000 1.423 304 I HN 0.623 nan 8.210 nan 0.000 0.493 305 N N 6.417 125.130 118.700 0.022 0.000 2.184 305 N HA 0.247 4.988 4.740 0.001 0.000 0.206 305 N C -0.026 175.499 175.510 0.024 0.000 1.151 305 N CA 0.057 53.125 53.050 0.031 0.000 0.878 305 N CB 0.803 39.316 38.487 0.045 0.000 1.014 305 N HN 0.557 nan 8.380 nan 0.000 0.512 306 R N -0.292 120.202 120.500 -0.009 0.000 2.710 306 R HA 0.591 4.932 4.340 0.001 0.000 0.270 306 R C -1.546 174.709 176.300 -0.074 0.000 1.021 306 R CA -0.629 55.468 56.100 -0.004 0.000 0.889 306 R CB 1.658 31.962 30.300 0.007 0.000 1.243 306 R HN -0.152 nan 8.270 nan 0.000 0.464 307 L N 0.443 121.642 121.223 -0.040 0.000 2.466 307 L HA 0.572 4.912 4.340 0.001 0.000 0.258 307 L C -0.876 176.020 176.870 0.042 0.000 0.973 307 L CA -0.567 54.196 54.840 -0.129 0.000 0.826 307 L CB 2.099 43.865 42.059 -0.488 0.000 1.372 307 L HN 0.430 nan 8.230 nan 0.000 0.409 308 R N 1.794 122.285 120.500 -0.016 0.000 2.451 308 R HA 0.735 5.076 4.340 0.001 0.000 0.307 308 R C -1.807 174.544 176.300 0.085 0.000 0.965 308 R CA -0.722 55.388 56.100 0.018 0.000 0.865 308 R CB 1.592 31.796 30.300 -0.159 0.000 1.174 308 R HN 0.613 nan 8.270 nan 0.000 0.455 309 L N 3.125 124.504 121.223 0.261 0.000 2.331 309 L HA 0.515 4.856 4.340 0.001 0.000 0.275 309 L C -0.462 176.591 176.870 0.306 0.000 1.022 309 L CA -0.424 54.595 54.840 0.299 0.000 0.812 309 L CB 1.480 43.837 42.059 0.497 0.000 1.257 309 L HN 0.498 nan 8.230 nan 0.000 0.435 310 R N 3.714 124.356 120.500 0.236 0.000 2.205 310 R HA 0.177 4.518 4.340 0.001 0.000 0.342 310 R C 0.578 176.945 176.300 0.112 0.000 1.058 310 R CA -0.142 56.064 56.100 0.177 0.000 0.904 310 R CB 0.689 31.047 30.300 0.097 0.000 1.089 310 R HN 0.769 nan 8.270 nan 0.000 0.471 311 K N 2.459 122.910 120.400 0.085 0.000 2.314 311 K HA 0.115 4.436 4.320 0.001 0.000 0.198 311 K C 0.548 177.158 176.600 0.017 0.000 1.045 311 K CA 0.500 56.831 56.287 0.073 0.000 0.988 311 K CB 0.588 33.132 32.500 0.073 0.000 0.783 311 K HN 0.267 nan 8.250 nan 0.000 0.484 312 L N 0.000 121.198 121.223 -0.041 0.000 2.949 312 L HA 0.000 4.341 4.340 0.001 0.000 0.249 312 L CA 0.000 54.799 54.840 -0.068 0.000 0.813 312 L CB 0.000 42.001 42.059 -0.096 0.000 0.961 312 L HN 0.000 nan 8.230 nan 0.000 0.502