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 1b85_1_A DATA FIRST_RESID -3 DATA SEQUENCE IEKRATcSNG KTVGDASccA WFDVLDDIQQ NLFHGGQcGA EAHESIRLVF DATA SEQUENCE HDSIAISPAM EAQGKFGGGG ADGSIMIFDD IETAFHPNIG LDEIVKLQKP DATA SEQUENCE FVQKHGVTPG DFIAFAGAVA LSNcPGAPQM NFFTGRAPAT QPAPDGLVPE DATA SEQUENCE PFHTVDQIIN RVNDAGEFDE LELVFMLSAH SVAAVNDVDP TVQGLPFDST DATA SEQUENCE PGIFDSQFFV ETQLRGTAFP GSGGNQGEVE SPLPGEIRIQ SDHTIARDSR DATA SEQUENCE TAcEWQSFVN NQSKLVDDFQ FIFLALTQLG QDPNAMTDcS DVIPQSKPIP DATA SEQUENCE GNLPFSFFPA GKTIKDVEQA cAETPFPTLT TLPGPETSVQ RIPPPPGA 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 -3 I HA 0.000 nan 4.170 nan 0.000 0.288 -3 I C 0.000 176.123 176.117 0.010 0.000 1.063 -3 I CA 0.000 61.307 61.300 0.012 0.000 1.566 -3 I CB 0.000 38.007 38.000 0.012 0.000 1.214 -2 E N 4.852 125.057 120.200 0.008 0.000 2.231 -2 E HA 0.467 4.816 4.350 -0.000 0.000 0.277 -2 E C -0.501 176.103 176.600 0.007 0.000 0.999 -2 E CA -1.018 55.384 56.400 0.003 0.000 0.827 -2 E CB 2.488 32.185 29.700 -0.006 0.000 1.101 -2 E HN 0.316 nan 8.360 nan 0.000 0.393 -1 K N 3.786 124.192 120.400 0.009 0.000 2.521 -1 K HA 0.172 4.492 4.320 -0.000 0.000 0.248 -1 K C -0.522 176.088 176.600 0.017 0.000 0.978 -1 K CA -0.553 55.742 56.287 0.014 0.000 0.947 -1 K CB 0.944 33.455 32.500 0.017 0.000 1.165 -1 K HN 0.429 nan 8.250 nan 0.000 0.445 0 R N 2.572 123.081 120.500 0.015 0.000 2.538 0 R HA 0.181 4.521 4.340 -0.000 0.000 0.282 0 R C -1.148 175.168 176.300 0.027 0.000 1.009 0 R CA 0.454 56.565 56.100 0.019 0.000 1.063 0 R CB 0.551 30.860 30.300 0.015 0.000 0.945 0 R HN 0.676 nan 8.270 nan 0.000 0.414 1 A N 3.023 125.866 122.820 0.038 0.000 2.572 1 A HA 0.423 4.743 4.320 -0.000 0.000 0.295 1 A C -1.113 176.505 177.584 0.055 0.000 1.072 1 A CA -0.733 51.331 52.037 0.044 0.000 0.691 1 A CB 2.082 21.112 19.000 0.051 0.000 1.291 1 A HN 0.645 nan 8.150 nan 0.000 0.404 2 T N 1.490 116.071 114.554 0.044 0.000 2.744 2 T HA 0.449 4.799 4.350 -0.000 0.000 0.291 2 T C 0.227 174.953 174.700 0.043 0.000 0.957 2 T CA -0.104 62.020 62.100 0.039 0.000 1.002 2 T CB 0.009 68.889 68.868 0.020 0.000 0.919 2 T HN 0.730 nan 8.240 nan 0.000 0.468 3 c N 2.149 120.780 118.600 0.051 0.000 2.480 3 c HA 0.239 4.809 4.570 -0.000 0.000 0.344 3 c C 2.610 176.697 174.090 -0.005 0.000 1.380 3 c CA -0.350 56.011 56.329 0.053 0.000 2.386 3 c CB 0.633 43.207 42.510 0.108 0.000 2.210 3 c HN 1.076 nan 8.230 nan 0.000 0.640 4 S N 0.873 116.572 115.700 -0.002 0.000 2.419 4 S HA -0.190 4.280 4.470 -0.000 0.000 0.233 4 S C 1.097 175.660 174.600 -0.060 0.000 1.016 4 S CA 1.747 59.936 58.200 -0.019 0.000 0.974 4 S CB -1.065 62.136 63.200 0.001 0.000 0.786 4 S HN 0.909 nan 8.310 nan 0.000 0.492 5 N N 0.420 119.042 118.700 -0.130 0.000 2.461 5 N HA 0.265 5.005 4.740 -0.000 0.000 0.188 5 N C 1.278 176.694 175.510 -0.157 0.000 1.134 5 N CA 0.338 53.281 53.050 -0.178 0.000 0.878 5 N CB -0.144 38.145 38.487 -0.330 0.000 0.972 5 N HN 0.578 nan 8.380 nan 0.000 0.456 6 G N 0.330 109.063 108.800 -0.113 0.000 2.175 6 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.244 6 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.244 6 G C -0.256 174.602 174.900 -0.071 0.000 0.982 6 G CA -0.199 44.857 45.100 -0.075 0.000 0.641 6 G HN 0.265 nan 8.290 nan 0.000 0.527 7 K N 1.127 121.460 120.400 -0.112 0.000 2.130 7 K HA 0.556 4.876 4.320 -0.000 0.000 0.268 7 K C -0.120 176.507 176.600 0.045 0.000 0.983 7 K CA -0.239 56.020 56.287 -0.046 0.000 0.893 7 K CB 1.431 33.869 32.500 -0.103 0.000 1.066 7 K HN 0.118 nan 8.250 nan 0.000 0.450 8 T N 1.740 116.335 114.554 0.068 0.000 2.837 8 T HA 0.400 4.750 4.350 -0.000 0.000 0.285 8 T C 0.169 174.935 174.700 0.111 0.000 0.984 8 T CA -0.700 61.446 62.100 0.077 0.000 1.049 8 T CB 0.963 69.859 68.868 0.046 0.000 0.947 8 T HN 0.427 nan 8.240 nan 0.000 0.472 9 V N 0.371 120.350 119.914 0.108 0.000 3.126 9 V HA 0.893 5.013 4.120 -0.000 0.000 0.314 9 V C 1.233 177.349 176.094 0.037 0.000 1.138 9 V CA -0.677 61.678 62.300 0.091 0.000 1.034 9 V CB 1.251 33.152 31.823 0.130 0.000 1.075 9 V HN 0.771 nan 8.190 nan 0.000 0.442 10 G N 0.132 108.929 108.800 -0.005 0.000 2.422 10 G HA2 0.053 4.013 3.960 -0.000 0.000 0.218 10 G HA3 0.053 4.013 3.960 -0.000 0.000 0.218 10 G C 0.097 174.985 174.900 -0.019 0.000 1.140 10 G CA 1.337 46.420 45.100 -0.028 0.000 0.775 10 G HN 0.962 nan 8.290 nan 0.000 0.545 11 D N -2.957 117.435 120.400 -0.013 0.000 2.857 11 D HA 0.574 5.214 4.640 -0.000 0.000 0.227 11 D C 0.995 177.315 176.300 0.034 0.000 1.192 11 D CA -0.019 53.983 54.000 0.003 0.000 0.857 11 D CB 1.427 42.218 40.800 -0.016 0.000 1.645 11 D HN -0.031 nan 8.370 nan 0.000 0.482 12 A N 1.745 124.590 122.820 0.043 0.000 2.024 12 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 12 A C 1.955 179.585 177.584 0.078 0.000 1.164 12 A CA 2.127 54.201 52.037 0.062 0.000 0.643 12 A CB -0.832 18.197 19.000 0.048 0.000 0.806 12 A HN 0.618 nan 8.150 nan 0.000 0.451 13 S N -1.020 114.723 115.700 0.071 0.000 2.447 13 S HA -0.173 4.297 4.470 -0.000 0.000 0.233 13 S C 1.734 176.435 174.600 0.168 0.000 1.006 13 S CA 1.251 59.511 58.200 0.099 0.000 0.957 13 S CB -1.302 61.951 63.200 0.089 0.000 0.773 13 S HN 0.601 nan 8.310 nan 0.000 0.507 14 c N 1.036 119.718 118.600 0.138 0.000 2.432 14 c HA 0.048 4.618 4.570 -0.000 0.000 0.280 14 c C 2.913 177.137 174.090 0.223 0.000 1.353 14 c CA -0.095 56.341 56.329 0.180 0.000 1.766 14 c CB -1.989 40.540 42.510 0.032 0.000 1.924 14 c HN 0.728 nan 8.230 nan 0.000 0.509 15 c N 1.260 119.987 118.600 0.213 0.000 2.411 15 c HA -0.119 4.451 4.570 -0.000 0.000 0.279 15 c C 3.060 177.306 174.090 0.261 0.000 1.288 15 c CA 1.366 57.875 56.329 0.299 0.000 1.764 15 c CB -1.495 41.151 42.510 0.226 0.000 1.974 15 c HN 0.719 nan 8.230 nan 0.000 0.498 16 A N -1.168 121.732 122.820 0.133 0.000 2.121 16 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 16 A C 1.670 179.173 177.584 -0.135 0.000 1.154 16 A CA 0.891 52.922 52.037 -0.010 0.000 0.679 16 A CB -0.695 18.230 19.000 -0.124 0.000 0.795 16 A HN 0.812 nan 8.150 nan 0.000 0.458 17 W N -1.838 119.390 121.300 -0.120 0.000 2.800 17 W HA 0.128 4.788 4.660 -0.000 0.000 0.249 17 W C 1.421 177.802 176.519 -0.230 0.000 1.294 17 W CA -0.062 57.085 57.345 -0.329 0.000 1.402 17 W CB -0.363 28.824 29.460 -0.455 0.000 1.126 17 W HN 0.354 nan 8.180 nan 0.000 0.652 18 F N 0.677 120.727 119.950 0.167 0.000 2.234 18 F HA -0.199 4.327 4.527 -0.000 0.000 0.299 18 F C 2.030 177.881 175.800 0.086 0.000 1.087 18 F CA 1.415 59.501 58.000 0.144 0.000 1.340 18 F CB -0.635 38.431 39.000 0.110 0.000 1.031 18 F HN -0.153 nan 8.300 nan 0.000 0.500 19 D N -0.207 120.315 120.400 0.202 0.000 2.149 19 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 19 D C 2.529 178.816 176.300 -0.021 0.000 0.972 19 D CA 1.128 55.206 54.000 0.129 0.000 0.835 19 D CB -0.464 40.422 40.800 0.144 0.000 0.966 19 D HN 0.116 nan 8.370 nan 0.000 0.476 20 V N 1.536 121.296 119.914 -0.255 0.000 2.295 20 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 20 V C 2.554 178.669 176.094 0.036 0.000 1.049 20 V CA 1.010 63.044 62.300 -0.443 0.000 1.024 20 V CB -0.568 30.934 31.823 -0.536 0.000 0.648 20 V HN 0.112 nan 8.190 nan 0.000 0.447 21 L N 0.791 122.175 121.223 0.269 0.000 1.997 21 L HA -0.251 4.089 4.340 -0.000 0.000 0.216 21 L C 2.144 179.101 176.870 0.144 0.000 1.074 21 L CA 2.347 57.367 54.840 0.299 0.000 0.763 21 L CB -1.006 41.248 42.059 0.326 0.000 0.890 21 L HN 0.309 nan 8.230 nan 0.000 0.434 22 D N -0.593 119.898 120.400 0.153 0.000 2.123 22 D HA -0.209 4.431 4.640 -0.000 0.000 0.196 22 D C 1.904 178.260 176.300 0.093 0.000 0.992 22 D CA 1.478 55.550 54.000 0.120 0.000 0.833 22 D CB -0.297 40.581 40.800 0.131 0.000 0.954 22 D HN 0.481 nan 8.370 nan 0.000 0.455 23 D N 0.379 120.843 120.400 0.108 0.000 2.097 23 D HA -0.102 4.538 4.640 -0.000 0.000 0.197 23 D C 2.272 178.580 176.300 0.014 0.000 0.984 23 D CA 0.712 54.807 54.000 0.159 0.000 0.826 23 D CB -0.128 40.872 40.800 0.333 0.000 0.973 23 D HN 0.401 nan 8.370 nan 0.000 0.460 24 I N -1.517 118.941 120.570 -0.187 0.000 2.439 24 I HA -0.130 4.040 4.170 -0.000 0.000 0.251 24 I C 1.902 177.815 176.117 -0.341 0.000 1.139 24 I CA 0.708 61.688 61.300 -0.535 0.000 1.438 24 I CB -0.349 37.248 38.000 -0.671 0.000 1.085 24 I HN -0.115 nan 8.210 nan 0.000 0.427 25 Q N 1.238 120.991 119.800 -0.079 0.000 2.084 25 Q HA -0.274 4.066 4.340 -0.000 0.000 0.202 25 Q C 2.216 178.234 176.000 0.029 0.000 0.978 25 Q CA 2.210 58.049 55.803 0.059 0.000 0.844 25 Q CB -0.305 28.482 28.738 0.081 0.000 0.898 25 Q HN 0.739 nan 8.270 nan 0.000 0.426 26 Q N 0.021 119.826 119.800 0.009 0.000 2.062 26 Q HA -0.050 4.290 4.340 -0.000 0.000 0.196 26 Q C 1.131 177.117 176.000 -0.024 0.000 0.967 26 Q CA 0.935 56.751 55.803 0.021 0.000 0.832 26 Q CB 0.341 29.108 28.738 0.049 0.000 0.899 26 Q HN 0.288 nan 8.270 nan 0.000 0.442 27 N N -0.390 118.295 118.700 -0.025 0.000 2.254 27 N HA 0.034 4.774 4.740 -0.000 0.000 0.190 27 N C 0.935 176.413 175.510 -0.053 0.000 1.107 27 N CA 0.232 53.292 53.050 0.016 0.000 0.869 27 N CB 1.004 39.628 38.487 0.228 0.000 0.983 27 N HN 0.215 nan 8.380 nan 0.000 0.487 28 L N -1.231 119.812 121.223 -0.300 0.000 2.600 28 L HA 0.369 4.709 4.340 -0.000 0.000 0.213 28 L C 0.266 176.883 176.870 -0.422 0.000 1.045 28 L CA 0.903 55.475 54.840 -0.447 0.000 0.863 28 L CB 0.003 41.533 42.059 -0.882 0.000 1.189 28 L HN -0.227 nan 8.230 nan 0.000 0.484 29 F N 0.807 120.664 119.950 -0.154 0.000 2.639 29 F HA 0.343 4.870 4.527 0.000 0.000 0.300 29 F C 0.331 176.151 175.800 0.033 0.000 1.109 29 F CA -0.881 57.086 58.000 -0.055 0.000 1.335 29 F CB -1.016 37.942 39.000 -0.071 0.000 1.014 29 F HN 0.118 nan 8.300 nan 0.000 0.537 30 H N -0.299 118.847 119.070 0.127 0.000 2.677 30 H HA -0.163 4.393 4.556 0.000 0.000 0.321 30 H C 1.508 176.881 175.328 0.075 0.000 1.171 30 H CA 0.643 56.742 56.048 0.085 0.000 1.139 30 H CB -1.456 28.348 29.762 0.069 0.000 1.515 30 H HN 0.565 nan 8.280 nan 0.000 0.423 31 G N -1.094 107.788 108.800 0.137 0.000 2.203 31 G HA2 0.068 4.028 3.960 -0.000 0.000 0.231 31 G HA3 0.068 4.028 3.960 -0.000 0.000 0.231 31 G C 0.965 175.923 174.900 0.097 0.000 1.058 31 G CA 0.850 46.013 45.100 0.103 0.000 0.781 31 G HN 1.662 nan 8.290 nan 0.000 0.496 32 G N -1.480 107.394 108.800 0.123 0.000 2.198 32 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.257 32 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.257 32 G C 0.246 175.155 174.900 0.014 0.000 1.042 32 G CA 1.004 46.147 45.100 0.071 0.000 0.791 32 G HN 1.144 nan 8.290 nan 0.000 0.502 33 Q N -1.342 118.484 119.800 0.044 0.000 2.221 33 Q HA 0.505 4.845 4.340 -0.000 0.000 0.242 33 Q C 0.596 176.516 176.000 -0.133 0.000 0.940 33 Q CA -0.253 55.540 55.803 -0.016 0.000 0.896 33 Q CB 1.913 30.670 28.738 0.031 0.000 1.226 33 Q HN 0.487 nan 8.270 nan 0.000 0.463 34 c N 2.587 121.103 118.600 -0.140 0.000 2.582 34 c HA 0.588 5.158 4.570 -0.000 0.000 0.477 34 c C 0.605 174.516 174.090 -0.299 0.000 1.221 34 c CA -0.398 55.812 56.329 -0.198 0.000 1.572 34 c CB -1.746 40.720 42.510 -0.072 0.000 1.866 34 c HN 0.842 nan 8.230 nan 0.000 0.594 35 G N 1.017 109.601 108.800 -0.360 0.000 2.890 35 G HA2 0.532 4.492 3.960 -0.000 0.000 0.189 35 G HA3 0.532 4.492 3.960 -0.000 0.000 0.189 35 G C 1.075 175.613 174.900 -0.604 0.000 1.342 35 G CA 0.375 45.241 45.100 -0.390 0.000 1.026 35 G HN 0.634 nan 8.290 nan 0.000 0.579 36 A N -0.578 122.100 122.820 -0.236 0.000 1.877 36 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 36 A C 2.101 179.690 177.584 0.007 0.000 1.186 36 A CA 2.335 54.322 52.037 -0.084 0.000 0.620 36 A CB -0.594 18.419 19.000 0.023 0.000 0.822 36 A HN 0.573 nan 8.150 nan 0.000 0.443 37 E N -0.014 120.251 120.200 0.109 0.000 2.106 37 E HA 0.002 4.352 4.350 -0.000 0.000 0.192 37 E C 2.202 178.971 176.600 0.282 0.000 0.984 37 E CA 1.193 57.742 56.400 0.247 0.000 0.806 37 E CB -0.377 29.535 29.700 0.354 0.000 0.750 37 E HN 0.599 nan 8.360 nan 0.000 0.458 38 A N 0.452 123.291 122.820 0.030 0.000 1.873 38 A HA -0.223 4.097 4.320 -0.000 0.000 0.215 38 A C 1.742 179.311 177.584 -0.025 0.000 1.186 38 A CA 1.735 53.599 52.037 -0.288 0.000 0.616 38 A CB -0.893 17.768 19.000 -0.565 0.000 0.823 38 A HN 0.380 nan 8.150 nan 0.000 0.442 39 H N -0.537 118.528 119.070 -0.008 0.000 2.319 39 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 39 H C 2.154 177.524 175.328 0.069 0.000 1.092 39 H CA 1.370 57.431 56.048 0.022 0.000 1.302 39 H CB -0.043 29.734 29.762 0.025 0.000 1.373 39 H HN 0.607 nan 8.280 nan 0.000 0.497 40 E N 0.575 120.902 120.200 0.213 0.000 2.118 40 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 40 E C 2.398 179.105 176.600 0.178 0.000 0.992 40 E CA 1.237 57.737 56.400 0.167 0.000 0.804 40 E CB 0.027 29.817 29.700 0.149 0.000 0.741 40 E HN 0.299 nan 8.360 nan 0.000 0.458 41 S N 0.641 116.467 115.700 0.210 0.000 2.382 41 S HA -0.115 4.355 4.470 -0.000 0.000 0.228 41 S C 2.004 176.727 174.600 0.205 0.000 1.027 41 S CA 0.804 59.138 58.200 0.224 0.000 0.991 41 S CB -0.128 63.253 63.200 0.302 0.000 0.823 41 S HN 0.198 nan 8.310 nan 0.000 0.469 42 I N 1.113 121.796 120.570 0.187 0.000 2.252 42 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 42 I C 2.660 178.945 176.117 0.280 0.000 1.102 42 I CA 0.990 62.431 61.300 0.236 0.000 1.385 42 I CB -0.263 37.843 38.000 0.178 0.000 1.064 42 I HN 0.188 nan 8.210 nan 0.000 0.414 43 R N 1.031 121.676 120.500 0.241 0.000 2.081 43 R HA -0.215 4.125 4.340 -0.000 0.000 0.235 43 R C 2.343 178.829 176.300 0.309 0.000 1.131 43 R CA 1.525 57.791 56.100 0.277 0.000 0.960 43 R CB -0.290 30.105 30.300 0.157 0.000 0.856 43 R HN 0.219 nan 8.270 nan 0.000 0.436 44 L N 0.698 122.049 121.223 0.212 0.000 2.131 44 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 44 L C 2.057 179.076 176.870 0.247 0.000 1.092 44 L CA 1.343 56.303 54.840 0.201 0.000 0.759 44 L CB -0.248 41.917 42.059 0.176 0.000 0.903 44 L HN 0.020 nan 8.230 nan 0.000 0.435 45 V N -0.752 119.314 119.914 0.253 0.000 2.287 45 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 45 V C 2.284 178.509 176.094 0.218 0.000 1.053 45 V CA 2.165 64.582 62.300 0.194 0.000 1.027 45 V CB -0.853 31.069 31.823 0.165 0.000 0.646 45 V HN 0.533 nan 8.190 nan 0.000 0.447 46 F N 0.481 120.529 119.950 0.164 0.000 2.146 46 F HA -0.143 4.384 4.527 0.000 0.000 0.298 46 F C 2.486 178.353 175.800 0.112 0.000 1.096 46 F CA 1.798 59.868 58.000 0.117 0.000 1.275 46 F CB -0.588 38.502 39.000 0.151 0.000 1.008 46 F HN 0.281 nan 8.300 nan 0.000 0.480 47 H N -1.402 117.666 119.070 -0.003 0.000 2.457 47 H HA -0.126 4.430 4.556 -0.000 0.000 0.294 47 H C 1.543 176.837 175.328 -0.057 0.000 1.064 47 H CA 1.357 57.352 56.048 -0.088 0.000 1.330 47 H CB -0.096 29.699 29.762 0.056 0.000 1.395 47 H HN 0.323 nan 8.280 nan 0.000 0.541 48 D N 0.284 120.754 120.400 0.117 0.000 2.120 48 D HA -0.079 4.561 4.640 -0.000 0.000 0.202 48 D C 2.112 178.420 176.300 0.013 0.000 0.972 48 D CA 1.072 55.123 54.000 0.085 0.000 0.837 48 D CB 0.185 41.053 40.800 0.113 0.000 0.989 48 D HN 0.079 nan 8.370 nan 0.000 0.469 49 S N -0.270 115.413 115.700 -0.028 0.000 2.395 49 S HA -0.026 4.444 4.470 -0.000 0.000 0.225 49 S C 1.785 176.328 174.600 -0.094 0.000 1.027 49 S CA 0.109 58.282 58.200 -0.046 0.000 0.965 49 S CB -0.007 63.177 63.200 -0.027 0.000 0.812 49 S HN 0.234 nan 8.310 nan 0.000 0.482 50 I N 2.079 122.505 120.570 -0.239 0.000 3.176 50 I HA 0.149 4.319 4.170 -0.000 0.000 0.275 50 I C 1.059 177.065 176.117 -0.186 0.000 1.298 50 I CA -0.354 60.793 61.300 -0.255 0.000 1.445 50 I CB -0.605 36.999 38.000 -0.660 0.000 1.075 50 I HN 0.151 nan 8.210 nan 0.000 0.482 51 A N 1.731 124.461 122.820 -0.150 0.000 2.990 51 A HA 0.477 4.797 4.320 -0.000 0.000 0.282 51 A C 0.065 177.588 177.584 -0.102 0.000 1.688 51 A CA -0.075 51.907 52.037 -0.092 0.000 1.391 51 A CB -0.887 18.102 19.000 -0.019 0.000 1.112 51 A HN 0.363 nan 8.150 nan 0.000 0.588 52 I N 0.246 120.744 120.570 -0.120 0.000 2.787 52 I HA 0.544 4.714 4.170 -0.000 0.000 0.294 52 I C -0.958 175.077 176.117 -0.138 0.000 1.365 52 I CA -0.125 61.085 61.300 -0.151 0.000 1.029 52 I CB 2.144 40.072 38.000 -0.120 0.000 1.313 52 I HN 0.165 nan 8.210 nan 0.000 0.431 53 S N 7.342 122.945 115.700 -0.162 0.000 2.511 53 S HA 0.493 4.963 4.470 -0.000 0.000 0.233 53 S C -2.389 172.139 174.600 -0.119 0.000 1.104 53 S CA -1.000 57.124 58.200 -0.127 0.000 1.129 53 S CB 1.291 64.419 63.200 -0.119 0.000 1.159 53 S HN 0.507 nan 8.310 nan 0.000 0.451 54 P HA -0.080 nan 4.420 nan 0.000 0.216 54 P C 1.469 178.729 177.300 -0.067 0.000 1.150 54 P CA 1.557 64.607 63.100 -0.083 0.000 0.843 54 P CB 0.131 31.783 31.700 -0.080 0.000 0.787 55 A N -0.948 121.834 122.820 -0.064 0.000 1.902 55 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 55 A C 2.218 179.773 177.584 -0.048 0.000 1.181 55 A CA 1.920 53.927 52.037 -0.050 0.000 0.623 55 A CB -1.397 17.575 19.000 -0.046 0.000 0.818 55 A HN 0.109 nan 8.150 nan 0.000 0.443 56 M N -0.713 118.850 119.600 -0.061 0.000 2.086 56 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 56 M C 2.041 178.315 176.300 -0.042 0.000 1.067 56 M CA 1.368 56.636 55.300 -0.054 0.000 1.116 56 M CB -0.509 32.048 32.600 -0.072 0.000 1.348 56 M HN 0.361 nan 8.290 nan 0.000 0.407 57 E N 0.685 120.852 120.200 -0.056 0.000 2.097 57 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 57 E C 2.112 178.702 176.600 -0.017 0.000 1.000 57 E CA 1.667 58.048 56.400 -0.032 0.000 0.804 57 E CB -0.438 29.236 29.700 -0.043 0.000 0.740 57 E HN 0.538 nan 8.360 nan 0.000 0.454 58 A N 1.167 123.973 122.820 -0.025 0.000 1.972 58 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 58 A C 1.973 179.550 177.584 -0.012 0.000 1.169 58 A CA 1.328 53.355 52.037 -0.018 0.000 0.635 58 A CB -0.446 18.540 19.000 -0.023 0.000 0.810 58 A HN 0.211 nan 8.150 nan 0.000 0.446 59 Q N -1.624 118.168 119.800 -0.013 0.000 2.482 59 Q HA 0.265 4.605 4.340 -0.000 0.000 0.209 59 Q C 1.182 177.183 176.000 0.001 0.000 0.961 59 Q CA 0.439 56.238 55.803 -0.007 0.000 0.945 59 Q CB 0.017 28.749 28.738 -0.011 0.000 1.012 59 Q HN 0.872 nan 8.270 nan 0.000 0.515 60 G N 0.578 109.382 108.800 0.007 0.000 2.175 60 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 60 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 60 G C -0.076 174.844 174.900 0.033 0.000 0.982 60 G CA 0.076 45.186 45.100 0.018 0.000 0.641 60 G HN 0.232 nan 8.290 nan 0.000 0.527 61 K N -0.434 119.986 120.400 0.033 0.000 2.123 61 K HA 0.682 5.002 4.320 -0.000 0.000 0.248 61 K C -0.249 176.411 176.600 0.099 0.000 0.969 61 K CA -1.055 55.269 56.287 0.062 0.000 0.882 61 K CB 1.072 33.595 32.500 0.038 0.000 1.080 61 K HN 0.134 nan 8.250 nan 0.000 0.441 62 F N 1.201 121.140 119.950 -0.018 0.000 2.472 62 F HA 0.288 4.816 4.527 0.000 0.000 0.364 62 F C 0.997 176.787 175.800 -0.018 0.000 1.090 62 F CA -0.209 57.780 58.000 -0.018 0.000 1.188 62 F CB 0.525 39.511 39.000 -0.023 0.000 1.105 62 F HN 0.638 nan 8.300 nan 0.000 0.536 63 G N 3.510 111.986 108.800 -0.540 0.000 3.284 63 G HA2 0.439 4.399 3.960 -0.000 0.000 0.236 63 G HA3 0.439 4.399 3.960 -0.000 0.000 0.236 63 G C 0.439 174.956 174.900 -0.639 0.000 1.158 63 G CA 0.132 44.962 45.100 -0.451 0.000 0.774 63 G HN 1.368 nan 8.290 nan 0.000 0.545 64 G N -1.708 106.276 108.800 -1.360 0.000 2.675 64 G HA2 0.288 4.248 3.960 -0.000 0.000 0.686 64 G HA3 0.288 4.248 3.960 -0.000 0.000 0.686 64 G C 0.702 175.299 174.900 -0.504 0.000 1.215 64 G CA -0.278 44.319 45.100 -0.838 0.000 0.777 64 G HN 0.904 nan 8.290 nan 0.000 0.638 65 G N -0.064 108.669 108.800 -0.111 0.000 3.042 65 G HA2 0.606 4.566 3.960 -0.000 0.000 0.212 65 G HA3 0.606 4.566 3.960 -0.000 0.000 0.212 65 G C 1.690 176.595 174.900 0.008 0.000 1.166 65 G CA 1.668 46.789 45.100 0.035 0.000 0.767 65 G HN 2.657 nan 8.290 nan 0.000 0.546 66 G N 0.152 108.935 108.800 -0.028 0.000 2.527 66 G HA2 0.133 4.093 3.960 -0.000 0.000 0.268 66 G HA3 0.133 4.093 3.960 -0.000 0.000 0.268 66 G C 0.642 175.550 174.900 0.014 0.000 1.175 66 G CA 0.168 45.255 45.100 -0.022 0.000 0.962 66 G HN 1.384 nan 8.290 nan 0.000 0.560 67 A N 1.215 124.042 122.820 0.011 0.000 2.797 67 A HA 0.523 4.843 4.320 -0.000 0.000 0.296 67 A C 0.866 178.490 177.584 0.066 0.000 1.580 67 A CA 1.246 53.302 52.037 0.033 0.000 1.277 67 A CB -0.482 18.520 19.000 0.004 0.000 1.101 67 A HN 1.297 nan 8.150 nan 0.000 0.562 68 D N 0.508 120.966 120.400 0.097 0.000 2.539 68 D HA 0.228 4.868 4.640 -0.000 0.000 0.232 68 D C 0.931 177.319 176.300 0.147 0.000 1.256 68 D CA 0.499 54.573 54.000 0.124 0.000 0.810 68 D CB -0.498 40.385 40.800 0.139 0.000 1.090 68 D HN 0.972 nan 8.370 nan 0.000 0.519 69 G N 1.006 109.894 108.800 0.148 0.000 2.155 69 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.257 69 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.257 69 G C 1.256 176.247 174.900 0.153 0.000 0.983 69 G CA 1.119 46.310 45.100 0.152 0.000 0.676 69 G HN 0.764 nan 8.290 nan 0.000 0.528 70 S N -0.311 115.507 115.700 0.197 0.000 2.382 70 S HA -0.000 4.470 4.470 -0.000 0.000 0.228 70 S C 2.241 176.994 174.600 0.255 0.000 1.027 70 S CA 1.420 59.801 58.200 0.302 0.000 0.991 70 S CB -0.186 63.212 63.200 0.330 0.000 0.823 70 S HN 0.974 nan 8.310 nan 0.000 0.469 71 I N 0.170 120.841 120.570 0.168 0.000 2.756 71 I HA -0.040 4.130 4.170 -0.000 0.000 0.262 71 I C 2.336 178.506 176.117 0.088 0.000 1.225 71 I CA 1.170 62.541 61.300 0.118 0.000 1.472 71 I CB -0.095 37.973 38.000 0.113 0.000 1.094 71 I HN 0.460 nan 8.210 nan 0.000 0.454 72 M N 0.001 119.651 119.600 0.084 0.000 2.412 72 M HA -0.021 4.459 4.480 -0.000 0.000 0.263 72 M C 2.072 178.348 176.300 -0.041 0.000 1.122 72 M CA 1.503 56.828 55.300 0.041 0.000 1.179 72 M CB 0.017 32.656 32.600 0.065 0.000 1.335 72 M HN 0.093 nan 8.290 nan 0.000 0.465 73 I N 0.139 120.653 120.570 -0.093 0.000 2.163 73 I HA -0.245 3.925 4.170 -0.000 0.000 0.243 73 I C 0.418 176.209 176.117 -0.543 0.000 1.085 73 I CA 1.365 62.444 61.300 -0.367 0.000 1.347 73 I CB -0.142 37.556 38.000 -0.503 0.000 1.044 73 I HN 0.197 nan 8.210 nan 0.000 0.408 74 F N 1.495 121.452 119.950 0.011 0.000 2.883 74 F HA 0.097 4.624 4.527 -0.000 0.000 0.312 74 F C 1.409 177.183 175.800 -0.043 0.000 1.246 74 F CA -0.829 57.166 58.000 -0.009 0.000 1.238 74 F CB -0.462 38.539 39.000 0.003 0.000 1.195 74 F HN 0.129 nan 8.300 nan 0.000 0.526 75 D N -0.875 119.550 120.400 0.041 0.000 2.219 75 D HA -0.195 4.445 4.640 -0.000 0.000 0.205 75 D C 1.117 177.410 176.300 -0.012 0.000 0.970 75 D CA 1.113 55.118 54.000 0.008 0.000 0.851 75 D CB -0.058 40.741 40.800 -0.001 0.000 0.943 75 D HN 0.201 nan 8.370 nan 0.000 0.488 76 D N 0.301 120.709 120.400 0.014 0.000 2.218 76 D HA -0.009 4.631 4.640 -0.000 0.000 0.204 76 D C 2.180 178.474 176.300 -0.010 0.000 0.976 76 D CA 0.513 54.520 54.000 0.011 0.000 0.853 76 D CB 0.067 40.887 40.800 0.033 0.000 0.939 76 D HN 0.396 nan 8.370 nan 0.000 0.481 77 I N 0.407 120.964 120.570 -0.021 0.000 2.405 77 I HA -0.092 4.078 4.170 -0.000 0.000 0.236 77 I C 2.165 177.977 176.117 -0.509 0.000 1.071 77 I CA 0.497 61.732 61.300 -0.109 0.000 1.398 77 I CB -0.089 37.910 38.000 -0.001 0.000 1.162 77 I HN -0.149 nan 8.210 nan 0.000 0.432 78 E N 0.468 120.334 120.200 -0.557 0.000 2.153 78 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 78 E C 1.917 178.138 176.600 -0.632 0.000 0.988 78 E CA 1.860 57.659 56.400 -1.003 0.000 0.811 78 E CB -0.149 29.348 29.700 -0.339 0.000 0.746 78 E HN 0.561 nan 8.360 nan 0.000 0.466 79 T N -2.088 112.301 114.554 -0.274 0.000 3.148 79 T HA 0.220 4.570 4.350 -0.000 0.000 0.253 79 T C 1.625 176.292 174.700 -0.054 0.000 1.134 79 T CA 0.530 62.566 62.100 -0.105 0.000 1.051 79 T CB 0.349 69.194 68.868 -0.038 0.000 0.959 79 T HN 0.088 nan 8.240 nan 0.000 0.525 80 A N 0.487 123.249 122.820 -0.096 0.000 2.195 80 A HA 0.454 4.774 4.320 -0.000 0.000 0.210 80 A C 0.260 177.983 177.584 0.231 0.000 1.165 80 A CA -0.410 51.663 52.037 0.059 0.000 0.806 80 A CB -0.395 18.648 19.000 0.072 0.000 0.847 80 A HN 0.458 nan 8.150 nan 0.000 0.482 81 F N -0.113 119.902 119.950 0.109 0.000 2.471 81 F HA 0.145 4.672 4.527 -0.000 0.000 0.353 81 F C 1.732 177.622 175.800 0.150 0.000 1.113 81 F CA -0.796 57.283 58.000 0.132 0.000 1.262 81 F CB -0.119 38.955 39.000 0.122 0.000 1.146 81 F HN 0.341 nan 8.300 nan 0.000 0.578 82 H N 3.873 123.120 119.070 0.295 0.000 2.352 82 H HA -0.094 4.462 4.556 -0.000 0.000 0.299 82 H C -0.943 174.515 175.328 0.216 0.000 1.097 82 H CA 2.039 58.220 56.048 0.222 0.000 1.311 82 H CB -0.616 29.271 29.762 0.209 0.000 1.377 82 H HN 0.306 nan 8.280 nan 0.000 0.504 83 P HA -0.069 nan 4.420 nan 0.000 0.222 83 P C 0.571 178.008 177.300 0.228 0.000 1.147 83 P CA 1.144 64.338 63.100 0.156 0.000 0.790 83 P CB -0.005 31.796 31.700 0.169 0.000 0.780 84 N N -0.592 118.242 118.700 0.223 0.000 2.279 84 N HA 0.096 4.836 4.740 -0.000 0.000 0.226 84 N C 0.454 175.984 175.510 0.033 0.000 1.126 84 N CA -0.335 52.819 53.050 0.173 0.000 0.846 84 N CB -0.272 38.326 38.487 0.184 0.000 1.050 84 N HN 0.245 nan 8.380 nan 0.000 0.502 85 I N 0.235 120.793 120.570 -0.020 0.000 2.752 85 I HA 0.003 4.173 4.170 -0.000 0.000 0.289 85 I C 1.299 177.397 176.117 -0.032 0.000 1.197 85 I CA 1.030 62.302 61.300 -0.047 0.000 1.432 85 I CB 0.245 38.160 38.000 -0.142 0.000 1.359 85 I HN 0.447 nan 8.210 nan 0.000 0.571 86 G N 5.572 114.366 108.800 -0.010 0.000 2.225 86 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.254 86 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.254 86 G C 0.705 175.603 174.900 -0.004 0.000 0.988 86 G CA 0.449 45.547 45.100 -0.004 0.000 0.625 86 G HN 0.597 nan 8.290 nan 0.000 0.527 87 L N 0.387 121.599 121.223 -0.019 0.000 2.478 87 L HA 0.156 4.496 4.340 -0.000 0.000 0.223 87 L C 2.234 179.114 176.870 0.016 0.000 1.140 87 L CA 1.028 55.860 54.840 -0.013 0.000 0.842 87 L CB -0.111 41.922 42.059 -0.044 0.000 0.953 87 L HN 0.171 nan 8.230 nan 0.000 0.452 88 D N 0.276 120.685 120.400 0.014 0.000 2.219 88 D HA -0.221 4.419 4.640 -0.000 0.000 0.205 88 D C 2.131 178.449 176.300 0.030 0.000 0.970 88 D CA 0.703 54.714 54.000 0.019 0.000 0.851 88 D CB 0.233 41.040 40.800 0.012 0.000 0.943 88 D HN 0.231 nan 8.370 nan 0.000 0.488 89 E N 0.318 120.538 120.200 0.034 0.000 2.051 89 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 89 E C 2.120 178.758 176.600 0.063 0.000 0.991 89 E CA 0.778 57.204 56.400 0.044 0.000 0.799 89 E CB -0.306 29.420 29.700 0.044 0.000 0.748 89 E HN 0.347 nan 8.360 nan 0.000 0.449 90 I N 0.662 121.277 120.570 0.075 0.000 2.439 90 I HA -0.176 3.994 4.170 -0.000 0.000 0.251 90 I C 2.302 178.487 176.117 0.114 0.000 1.139 90 I CA 0.659 62.023 61.300 0.108 0.000 1.438 90 I CB -0.173 37.902 38.000 0.125 0.000 1.085 90 I HN -0.059 nan 8.210 nan 0.000 0.427 91 V N 0.892 120.859 119.914 0.088 0.000 2.332 91 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 91 V C 2.492 178.623 176.094 0.061 0.000 1.055 91 V CA 2.100 64.450 62.300 0.084 0.000 1.038 91 V CB -0.799 31.058 31.823 0.057 0.000 0.651 91 V HN 0.408 nan 8.190 nan 0.000 0.450 92 K N -0.334 120.091 120.400 0.042 0.000 2.147 92 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 92 K C 2.001 178.616 176.600 0.025 0.000 1.049 92 K CA 1.149 57.448 56.287 0.019 0.000 0.936 92 K CB -0.215 32.291 32.500 0.011 0.000 0.722 92 K HN 0.381 nan 8.250 nan 0.000 0.446 93 L N 0.672 121.936 121.223 0.069 0.000 2.240 93 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 93 L C 2.354 179.340 176.870 0.192 0.000 1.106 93 L CA 0.996 55.898 54.840 0.103 0.000 0.793 93 L CB -0.176 41.961 42.059 0.129 0.000 0.927 93 L HN 0.235 nan 8.230 nan 0.000 0.446 94 Q N -0.219 119.695 119.800 0.191 0.000 2.163 94 Q HA -0.121 4.219 4.340 -0.000 0.000 0.198 94 Q C 2.078 178.089 176.000 0.018 0.000 0.954 94 Q CA 0.689 56.644 55.803 0.253 0.000 0.851 94 Q CB 0.184 29.099 28.738 0.295 0.000 0.928 94 Q HN 0.391 nan 8.270 nan 0.000 0.459 95 K N 0.453 120.831 120.400 -0.037 0.000 2.059 95 K HA -0.196 4.124 4.320 -0.000 0.000 0.212 95 K C -0.866 175.623 176.600 -0.186 0.000 1.050 95 K CA 1.788 58.006 56.287 -0.115 0.000 0.927 95 K CB -0.957 31.494 32.500 -0.082 0.000 0.714 95 K HN 0.150 nan 8.250 nan 0.000 0.447 96 P HA -0.152 nan 4.420 nan 0.000 0.218 96 P C 0.959 178.027 177.300 -0.386 0.000 1.148 96 P CA 1.316 64.213 63.100 -0.338 0.000 0.822 96 P CB -0.053 31.377 31.700 -0.450 0.000 0.784 97 F N -1.149 118.658 119.950 -0.239 0.000 2.206 97 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 97 F C 2.373 177.990 175.800 -0.305 0.000 1.090 97 F CA 0.887 58.758 58.000 -0.216 0.000 1.323 97 F CB -1.555 37.267 39.000 -0.297 0.000 1.028 97 F HN -0.270 nan 8.300 nan 0.000 0.492 98 V N -0.085 119.624 119.914 -0.342 0.000 2.295 98 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 98 V C 2.237 178.257 176.094 -0.124 0.000 1.049 98 V CA 1.954 64.099 62.300 -0.259 0.000 1.024 98 V CB -0.773 30.904 31.823 -0.242 0.000 0.648 98 V HN 0.352 nan 8.190 nan 0.000 0.447 99 Q N -0.117 119.597 119.800 -0.143 0.000 2.046 99 Q HA -0.244 4.096 4.340 -0.000 0.000 0.200 99 Q C 2.384 178.302 176.000 -0.138 0.000 0.975 99 Q CA 1.841 57.568 55.803 -0.126 0.000 0.836 99 Q CB -0.291 28.364 28.738 -0.138 0.000 0.896 99 Q HN 0.591 nan 8.270 nan 0.000 0.428 100 K N 0.110 120.404 120.400 -0.176 0.000 2.057 100 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 100 K C 1.570 177.972 176.600 -0.330 0.000 1.049 100 K CA 1.274 57.400 56.287 -0.269 0.000 0.931 100 K CB 0.055 32.350 32.500 -0.341 0.000 0.714 100 K HN 0.338 nan 8.250 nan 0.000 0.440 101 H N -1.098 117.907 119.070 -0.109 0.000 2.553 101 H HA 0.108 4.664 4.556 -0.000 0.000 0.265 101 H C 0.719 175.945 175.328 -0.171 0.000 0.964 101 H CA 0.806 56.768 56.048 -0.143 0.000 1.156 101 H CB 0.741 30.401 29.762 -0.170 0.000 1.411 101 H HN 0.547 nan 8.280 nan 0.000 0.558 102 G N 1.908 110.677 108.800 -0.052 0.000 2.273 102 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.280 102 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.280 102 G C 0.495 175.362 174.900 -0.055 0.000 1.047 102 G CA 0.594 45.660 45.100 -0.057 0.000 0.869 102 G HN 0.403 nan 8.290 nan 0.000 0.502 103 V N -2.644 117.240 119.914 -0.050 0.000 3.093 103 V HA 0.950 5.070 4.120 -0.000 0.000 0.320 103 V C 0.899 177.070 176.094 0.128 0.000 1.093 103 V CA -0.176 62.131 62.300 0.012 0.000 1.016 103 V CB 1.464 33.210 31.823 -0.128 0.000 1.096 103 V HN 1.151 nan 8.190 nan 0.000 0.452 104 T N -0.672 114.012 114.554 0.218 0.000 2.898 104 T HA 0.372 4.722 4.350 -0.000 0.000 0.301 104 T C -1.723 173.128 174.700 0.251 0.000 1.049 104 T CA -0.980 61.234 62.100 0.191 0.000 1.095 104 T CB 0.941 69.919 68.868 0.184 0.000 0.976 104 T HN 0.620 nan 8.240 nan 0.000 0.539 105 P HA 0.042 nan 4.420 nan 0.000 0.216 105 P C 1.858 179.324 177.300 0.276 0.000 1.153 105 P CA 1.172 64.397 63.100 0.207 0.000 0.848 105 P CB -0.394 31.372 31.700 0.109 0.000 0.787 106 G N -0.089 108.847 108.800 0.227 0.000 2.418 106 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 106 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 106 G C 1.226 176.284 174.900 0.264 0.000 1.158 106 G CA 0.929 46.157 45.100 0.213 0.000 0.771 106 G HN 0.171 nan 8.290 nan 0.000 0.545 107 D N -0.315 120.280 120.400 0.325 0.000 2.149 107 D HA -0.050 4.590 4.640 -0.000 0.000 0.201 107 D C 1.926 178.522 176.300 0.493 0.000 0.972 107 D CA 0.257 54.493 54.000 0.393 0.000 0.835 107 D CB -0.322 40.759 40.800 0.468 0.000 0.966 107 D HN 0.283 nan 8.370 nan 0.000 0.476 108 F N 1.299 121.512 119.950 0.438 0.000 2.102 108 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 108 F C 2.140 178.125 175.800 0.309 0.000 1.105 108 F CA 1.079 59.337 58.000 0.429 0.000 1.239 108 F CB -0.176 39.012 39.000 0.313 0.000 0.991 108 F HN -0.134 nan 8.300 nan 0.000 0.474 109 I N 0.088 120.884 120.570 0.377 0.000 2.208 109 I HA -0.347 3.823 4.170 -0.000 0.000 0.245 109 I C 2.648 178.843 176.117 0.130 0.000 1.097 109 I CA 1.303 62.749 61.300 0.242 0.000 1.363 109 I CB -0.915 37.235 38.000 0.250 0.000 1.051 109 I HN 0.238 nan 8.210 nan 0.000 0.413 110 A N 0.376 123.292 122.820 0.159 0.000 1.930 110 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 110 A C 2.197 179.843 177.584 0.104 0.000 1.175 110 A CA 1.275 53.407 52.037 0.159 0.000 0.627 110 A CB -0.849 18.284 19.000 0.222 0.000 0.815 110 A HN 0.421 nan 8.150 nan 0.000 0.443 111 F N 1.009 120.769 119.950 -0.317 0.000 2.075 111 F HA -0.059 4.469 4.527 0.000 0.000 0.297 111 F C 2.555 178.047 175.800 -0.514 0.000 1.113 111 F CA 1.201 58.695 58.000 -0.843 0.000 1.218 111 F CB -0.588 37.726 39.000 -1.144 0.000 0.984 111 F HN 0.235 nan 8.300 nan 0.000 0.472 112 A N 0.057 122.605 122.820 -0.453 0.000 1.972 112 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 112 A C 2.467 179.997 177.584 -0.090 0.000 1.169 112 A CA 1.602 53.447 52.037 -0.321 0.000 0.635 112 A CB -1.779 17.048 19.000 -0.288 0.000 0.810 112 A HN 0.520 nan 8.150 nan 0.000 0.446 113 G N -0.558 108.237 108.800 -0.007 0.000 2.402 113 G HA2 0.032 3.992 3.960 -0.000 0.000 0.216 113 G HA3 0.032 3.992 3.960 -0.000 0.000 0.216 113 G C 1.719 176.598 174.900 -0.036 0.000 1.162 113 G CA 1.315 46.487 45.100 0.121 0.000 0.777 113 G HN 0.762 nan 8.290 nan 0.000 0.539 114 A N 0.029 122.803 122.820 -0.076 0.000 1.897 114 A HA 0.163 4.483 4.320 -0.000 0.000 0.215 114 A C 2.579 179.925 177.584 -0.397 0.000 1.181 114 A CA 1.630 53.497 52.037 -0.283 0.000 0.620 114 A CB -0.511 18.410 19.000 -0.131 0.000 0.821 114 A HN 0.230 nan 8.150 nan 0.000 0.443 115 V N -0.019 119.595 119.914 -0.500 0.000 2.358 115 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 115 V C 3.064 178.898 176.094 -0.433 0.000 1.047 115 V CA 1.800 63.819 62.300 -0.468 0.000 1.035 115 V CB -1.246 30.260 31.823 -0.530 0.000 0.658 115 V HN 0.603 nan 8.190 nan 0.000 0.452 116 A N -0.172 122.342 122.820 -0.509 0.000 1.892 116 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 116 A C 2.227 179.542 177.584 -0.448 0.000 1.188 116 A CA 2.119 53.716 52.037 -0.733 0.000 0.631 116 A CB -0.632 18.028 19.000 -0.566 0.000 0.822 116 A HN 0.501 nan 8.150 nan 0.000 0.447 117 L N 0.356 121.363 121.223 -0.359 0.000 2.083 117 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 117 L C 2.945 179.630 176.870 -0.308 0.000 1.083 117 L CA 1.521 56.158 54.840 -0.337 0.000 0.752 117 L CB -0.337 41.454 42.059 -0.447 0.000 0.899 117 L HN 0.626 nan 8.230 nan 0.000 0.433 118 S N -1.127 114.391 115.700 -0.303 0.000 2.474 118 S HA -0.155 4.315 4.470 -0.000 0.000 0.235 118 S C 1.427 175.916 174.600 -0.186 0.000 0.997 118 S CA 1.264 59.326 58.200 -0.229 0.000 0.949 118 S CB -0.719 62.354 63.200 -0.213 0.000 0.766 118 S HN 0.537 nan 8.310 nan 0.000 0.517 119 N N 0.003 118.571 118.700 -0.221 0.000 2.463 119 N HA 0.128 4.868 4.740 -0.000 0.000 0.181 119 N C -0.513 174.925 175.510 -0.119 0.000 1.078 119 N CA 0.237 53.183 53.050 -0.172 0.000 0.902 119 N CB 0.005 38.343 38.487 -0.250 0.000 0.970 119 N HN 0.364 nan 8.380 nan 0.000 0.451 120 c N 2.438 120.970 118.600 -0.113 0.000 2.285 120 c HA 0.359 4.929 4.570 -0.000 0.000 0.335 120 c C -2.115 171.973 174.090 -0.002 0.000 1.267 120 c CA -1.881 54.427 56.329 -0.036 0.000 1.762 120 c CB 0.626 43.134 42.510 -0.003 0.000 2.365 120 c HN 0.172 nan 8.230 nan 0.000 0.527 121 P HA 0.233 nan 4.420 nan 0.000 0.266 121 P C 0.991 178.351 177.300 0.101 0.000 1.195 121 P CA 1.739 64.866 63.100 0.046 0.000 0.768 121 P CB 0.384 32.115 31.700 0.051 0.000 0.838 122 G N 1.154 110.016 108.800 0.103 0.000 2.253 122 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.251 122 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.251 122 G C 0.511 175.520 174.900 0.182 0.000 0.998 122 G CA 0.063 45.272 45.100 0.182 0.000 0.621 122 G HN 0.851 nan 8.290 nan 0.000 0.524 123 A N 1.365 124.196 122.820 0.018 0.000 2.448 123 A HA 0.633 4.953 4.320 -0.000 0.000 0.239 123 A C -1.067 176.393 177.584 -0.207 0.000 1.080 123 A CA -0.001 51.862 52.037 -0.290 0.000 0.779 123 A CB 0.054 18.827 19.000 -0.378 0.000 1.026 123 A HN 0.286 nan 8.150 nan 0.000 0.499 124 P HA 0.120 nan 4.420 nan 0.000 0.273 124 P C -0.825 176.387 177.300 -0.148 0.000 1.250 124 P CA -0.267 62.747 63.100 -0.143 0.000 0.793 124 P CB 0.300 31.932 31.700 -0.114 0.000 1.011 125 Q N 1.162 120.908 119.800 -0.090 0.000 2.307 125 Q HA 0.220 4.559 4.340 -0.000 0.000 0.261 125 Q C 0.014 175.963 176.000 -0.086 0.000 1.051 125 Q CA 0.318 56.073 55.803 -0.079 0.000 0.911 125 Q CB 0.078 28.792 28.738 -0.040 0.000 1.227 125 Q HN 0.383 nan 8.270 nan 0.000 0.418 126 M N 1.857 121.382 119.600 -0.124 0.000 2.288 126 M HA 0.261 4.741 4.480 -0.000 0.000 0.334 126 M C 0.164 176.454 176.300 -0.017 0.000 1.150 126 M CA -0.473 54.749 55.300 -0.130 0.000 1.118 126 M CB 0.271 32.713 32.600 -0.263 0.000 1.501 126 M HN 0.383 nan 8.290 nan 0.000 0.462 127 N N 0.479 119.228 118.700 0.081 0.000 2.482 127 N HA 0.649 5.389 4.740 -0.000 0.000 0.279 127 N C -1.507 174.175 175.510 0.286 0.000 1.182 127 N CA -0.353 52.800 53.050 0.172 0.000 0.969 127 N CB 1.369 40.027 38.487 0.285 0.000 1.201 127 N HN 0.474 nan 8.380 nan 0.000 0.523 128 F N 1.826 121.785 119.950 0.016 0.000 2.689 128 F HA 0.494 5.021 4.527 -0.000 0.000 0.332 128 F C -2.160 173.556 175.800 -0.139 0.000 1.209 128 F CA -1.020 56.974 58.000 -0.010 0.000 1.028 128 F CB 0.383 39.335 39.000 -0.079 0.000 1.291 128 F HN 0.303 nan 8.300 nan 0.000 0.500 129 F N 2.953 122.554 119.950 -0.581 0.000 2.492 129 F HA 0.699 5.226 4.527 -0.000 0.000 0.327 129 F C 0.517 175.824 175.800 -0.821 0.000 1.079 129 F CA -0.522 57.107 58.000 -0.618 0.000 0.967 129 F CB 2.318 41.146 39.000 -0.287 0.000 1.169 129 F HN 0.538 nan 8.300 nan 0.000 0.472 130 T N -1.892 112.350 114.554 -0.520 0.000 2.949 130 T HA 0.722 5.072 4.350 -0.000 0.000 0.287 130 T C 0.408 175.059 174.700 -0.081 0.000 1.034 130 T CA -0.235 61.656 62.100 -0.349 0.000 1.018 130 T CB 1.687 70.364 68.868 -0.319 0.000 1.135 130 T HN 1.169 nan 8.240 nan 0.000 0.532 131 G N 0.664 109.469 108.800 0.008 0.000 2.234 131 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.153 131 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.153 131 G C -0.094 174.838 174.900 0.055 0.000 1.013 131 G CA -0.820 44.303 45.100 0.038 0.000 0.712 131 G HN 0.848 nan 8.290 nan 0.000 0.491 132 R N 1.097 121.643 120.500 0.076 0.000 2.248 132 R HA 0.623 4.963 4.340 -0.000 0.000 0.328 132 R C 0.833 177.192 176.300 0.099 0.000 1.067 132 R CA 0.426 56.575 56.100 0.083 0.000 0.924 132 R CB 1.164 31.523 30.300 0.098 0.000 1.013 132 R HN 0.421 nan 8.270 nan 0.000 0.454 133 A N 5.435 128.305 122.820 0.083 0.000 2.386 133 A HA 0.300 4.620 4.320 -0.000 0.000 0.248 133 A C -1.977 175.666 177.584 0.098 0.000 1.082 133 A CA -1.362 50.726 52.037 0.085 0.000 0.789 133 A CB -0.149 18.893 19.000 0.070 0.000 1.025 133 A HN 0.438 nan 8.150 nan 0.000 0.490 134 P HA 0.251 nan 4.420 nan 0.000 0.264 134 P C -0.026 177.346 177.300 0.121 0.000 1.193 134 P CA 0.416 63.571 63.100 0.093 0.000 0.763 134 P CB 0.422 32.157 31.700 0.059 0.000 0.810 135 A N 3.156 126.076 122.820 0.166 0.000 2.507 135 A HA 0.254 4.574 4.320 -0.000 0.000 0.235 135 A C 1.312 179.069 177.584 0.289 0.000 1.070 135 A CA 0.763 52.948 52.037 0.247 0.000 0.768 135 A CB -0.396 18.814 19.000 0.351 0.000 1.011 135 A HN 0.657 nan 8.150 nan 0.000 0.502 136 T N -1.360 113.333 114.554 0.231 0.000 3.010 136 T HA 0.325 4.675 4.350 -0.000 0.000 0.257 136 T C 0.397 175.140 174.700 0.072 0.000 1.020 136 T CA 0.234 62.448 62.100 0.189 0.000 0.938 136 T CB 0.019 68.925 68.868 0.062 0.000 1.049 136 T HN 0.679 nan 8.240 nan 0.000 0.522 137 Q N 1.524 121.254 119.800 -0.116 0.000 2.345 137 Q HA 0.442 4.782 4.340 -0.000 0.000 0.275 137 Q C -3.068 172.630 176.000 -0.503 0.000 1.063 137 Q CA -2.523 52.938 55.803 -0.570 0.000 0.819 137 Q CB 2.997 31.200 28.738 -0.891 0.000 1.356 137 Q HN 0.101 nan 8.270 nan 0.000 0.418 138 P HA 0.092 nan 4.420 nan 0.000 0.271 138 P C -1.021 176.373 177.300 0.157 0.000 1.218 138 P CA -0.024 62.889 63.100 -0.313 0.000 0.780 138 P CB 0.595 32.102 31.700 -0.322 0.000 0.901 139 A N 4.443 127.408 122.820 0.241 0.000 2.366 139 A HA 0.516 4.836 4.320 -0.000 0.000 0.249 139 A C -2.074 175.696 177.584 0.310 0.000 1.084 139 A CA -1.185 51.001 52.037 0.249 0.000 0.794 139 A CB -1.326 17.783 19.000 0.182 0.000 1.034 139 A HN 0.421 nan 8.150 nan 0.000 0.491 140 P HA 0.231 nan 4.420 nan 0.000 0.274 140 P C -0.605 176.635 177.300 -0.101 0.000 1.256 140 P CA -0.325 62.816 63.100 0.067 0.000 0.795 140 P CB 0.467 32.161 31.700 -0.011 0.000 1.038 141 D N -1.204 118.879 120.400 -0.528 0.000 2.423 141 D HA 0.406 5.046 4.640 -0.000 0.000 0.255 141 D C 1.166 177.276 176.300 -0.316 0.000 1.174 141 D CA 0.545 54.029 54.000 -0.859 0.000 1.008 141 D CB 0.280 40.267 40.800 -1.355 0.000 1.101 141 D HN 0.616 nan 8.370 nan 0.000 0.516 142 G N 0.042 108.729 108.800 -0.188 0.000 2.157 142 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.248 142 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.248 142 G C 0.884 175.764 174.900 -0.032 0.000 0.979 142 G CA 0.539 45.599 45.100 -0.067 0.000 0.650 142 G HN 0.426 nan 8.290 nan 0.000 0.529 143 L N -0.413 120.791 121.223 -0.033 0.000 2.672 143 L HA 0.331 4.671 4.340 -0.000 0.000 0.236 143 L C 0.683 177.528 176.870 -0.042 0.000 1.092 143 L CA 0.128 54.947 54.840 -0.036 0.000 0.887 143 L CB 0.800 42.827 42.059 -0.053 0.000 1.168 143 L HN 0.103 nan 8.230 nan 0.000 0.502 144 V N 1.456 121.358 119.914 -0.020 0.000 2.398 144 V HA 0.320 4.440 4.120 -0.000 0.000 0.286 144 V C -2.078 174.032 176.094 0.026 0.000 1.026 144 V CA -1.642 60.599 62.300 -0.099 0.000 0.868 144 V CB 1.298 33.030 31.823 -0.152 0.000 0.982 144 V HN -0.035 nan 8.190 nan 0.000 0.443 145 P HA 0.146 nan 4.420 nan 0.000 0.268 145 P C -0.382 176.853 177.300 -0.108 0.000 1.208 145 P CA 0.002 63.188 63.100 0.143 0.000 0.777 145 P CB 0.609 32.434 31.700 0.210 0.000 0.875 146 E N 2.723 122.542 120.200 -0.634 0.000 2.221 146 E HA 0.198 4.548 4.350 -0.000 0.000 0.268 146 E C -1.649 174.560 176.600 -0.651 0.000 0.933 146 E CA -1.904 53.972 56.400 -0.873 0.000 0.809 146 E CB 1.099 29.664 29.700 -1.890 0.000 1.190 146 E HN 0.300 nan 8.360 nan 0.000 0.406 147 P HA -0.086 nan 4.420 nan 0.000 0.226 147 P C 0.840 178.134 177.300 -0.011 0.000 1.153 147 P CA 1.052 64.119 63.100 -0.055 0.000 0.777 147 P CB -0.065 31.704 31.700 0.116 0.000 0.794 148 F N -2.434 117.537 119.950 0.035 0.000 2.727 148 F HA 0.345 4.872 4.527 -0.000 0.000 0.302 148 F C 0.956 176.847 175.800 0.152 0.000 1.097 148 F CA -1.420 56.630 58.000 0.084 0.000 1.330 148 F CB -1.751 37.296 39.000 0.079 0.000 1.084 148 F HN -0.133 nan 8.300 nan 0.000 0.578 149 H N 1.405 120.453 119.070 -0.036 0.000 2.690 149 H HA 0.250 4.806 4.556 -0.000 0.000 0.365 149 H C 0.968 176.346 175.328 0.084 0.000 1.142 149 H CA -0.099 55.977 56.048 0.046 0.000 1.417 149 H CB 0.969 30.715 29.762 -0.026 0.000 1.446 149 H HN 0.251 nan 8.280 nan 0.000 0.599 150 T N -1.155 113.525 114.554 0.210 0.000 2.754 150 T HA 0.020 4.370 4.350 -0.000 0.000 0.286 150 T C 1.585 176.352 174.700 0.112 0.000 0.997 150 T CA -0.826 61.356 62.100 0.136 0.000 0.982 150 T CB 0.741 69.665 68.868 0.094 0.000 1.027 150 T HN 0.313 nan 8.240 nan 0.000 0.529 151 V N 0.933 120.896 119.914 0.082 0.000 2.407 151 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 151 V C 2.629 178.759 176.094 0.060 0.000 1.055 151 V CA 2.011 64.351 62.300 0.067 0.000 1.049 151 V CB -0.792 31.055 31.823 0.041 0.000 0.662 151 V HN 0.908 nan 8.190 nan 0.000 0.455 152 D N -0.591 119.838 120.400 0.048 0.000 2.144 152 D HA -0.183 4.457 4.640 -0.000 0.000 0.199 152 D C 2.306 178.623 176.300 0.029 0.000 0.984 152 D CA 1.281 55.301 54.000 0.034 0.000 0.834 152 D CB 0.040 40.854 40.800 0.025 0.000 0.955 152 D HN 0.557 nan 8.370 nan 0.000 0.465 153 Q N 0.174 119.989 119.800 0.025 0.000 2.079 153 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 153 Q C 2.472 178.487 176.000 0.025 0.000 0.974 153 Q CA 0.788 56.584 55.803 -0.012 0.000 0.840 153 Q CB 0.097 28.789 28.738 -0.077 0.000 0.898 153 Q HN 0.341 nan 8.270 nan 0.000 0.430 154 I N 0.401 121.019 120.570 0.079 0.000 2.202 154 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 154 I C 2.186 178.362 176.117 0.098 0.000 1.091 154 I CA 1.015 62.384 61.300 0.114 0.000 1.368 154 I CB -0.221 37.862 38.000 0.138 0.000 1.058 154 I HN 0.197 nan 8.210 nan 0.000 0.410 155 I N 0.950 121.568 120.570 0.080 0.000 2.163 155 I HA -0.362 3.808 4.170 -0.000 0.000 0.243 155 I C 2.099 178.254 176.117 0.063 0.000 1.085 155 I CA 1.977 63.321 61.300 0.074 0.000 1.347 155 I CB -0.581 37.452 38.000 0.056 0.000 1.044 155 I HN 0.335 nan 8.210 nan 0.000 0.408 156 N N 0.053 118.777 118.700 0.041 0.000 2.166 156 N HA -0.223 4.517 4.740 -0.000 0.000 0.186 156 N C 1.966 177.492 175.510 0.026 0.000 1.019 156 N CA 0.700 53.764 53.050 0.023 0.000 0.856 156 N CB -0.067 38.422 38.487 0.004 0.000 0.993 156 N HN 0.163 nan 8.380 nan 0.000 0.426 157 R N 1.495 122.018 120.500 0.038 0.000 2.066 157 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 157 R C 2.096 178.442 176.300 0.077 0.000 1.131 157 R CA 1.278 57.404 56.100 0.042 0.000 0.955 157 R CB -0.718 29.616 30.300 0.058 0.000 0.851 157 R HN 0.232 nan 8.270 nan 0.000 0.432 158 V N -0.642 119.355 119.914 0.138 0.000 2.667 158 V HA -0.071 4.049 4.120 -0.000 0.000 0.252 158 V C 1.872 178.074 176.094 0.181 0.000 1.065 158 V CA 2.070 64.513 62.300 0.239 0.000 1.083 158 V CB -0.952 31.061 31.823 0.317 0.000 0.692 158 V HN 0.349 nan 8.190 nan 0.000 0.468 159 N N 1.488 120.245 118.700 0.095 0.000 2.142 159 N HA -0.216 4.524 4.740 -0.000 0.000 0.186 159 N C 1.610 177.092 175.510 -0.047 0.000 1.023 159 N CA 1.826 54.888 53.050 0.019 0.000 0.852 159 N CB -0.378 38.121 38.487 0.020 0.000 0.998 159 N HN 0.701 nan 8.380 nan 0.000 0.424 160 D N -0.387 119.995 120.400 -0.031 0.000 2.084 160 D HA -0.030 4.610 4.640 -0.000 0.000 0.196 160 D C 1.843 178.089 176.300 -0.090 0.000 0.985 160 D CA 1.552 55.518 54.000 -0.058 0.000 0.826 160 D CB -0.492 40.283 40.800 -0.043 0.000 0.978 160 D HN 0.329 nan 8.370 nan 0.000 0.456 161 A N -0.549 122.232 122.820 -0.066 0.000 1.908 161 A HA 0.108 4.428 4.320 -0.000 0.000 0.218 161 A C 2.096 179.559 177.584 -0.202 0.000 1.181 161 A CA 1.996 53.981 52.037 -0.086 0.000 0.627 161 A CB -0.673 18.330 19.000 0.004 0.000 0.818 161 A HN 0.417 nan 8.150 nan 0.000 0.445 162 G N -2.312 106.240 108.800 -0.414 0.000 4.385 162 G HA2 0.427 4.387 3.960 -0.000 0.000 0.283 162 G HA3 0.427 4.387 3.960 -0.000 0.000 0.283 162 G C -0.107 174.223 174.900 -0.950 0.000 1.020 162 G CA 0.465 45.048 45.100 -0.861 0.000 0.790 162 G HN 0.382 nan 8.290 nan 0.000 0.420 163 E N -0.577 119.319 120.200 -0.506 0.000 2.586 163 E HA -0.200 4.150 4.350 -0.000 0.000 0.259 163 E C -0.669 175.792 176.600 -0.233 0.000 1.107 163 E CA 0.173 56.394 56.400 -0.298 0.000 0.754 163 E CB -1.401 28.173 29.700 -0.211 0.000 1.335 163 E HN 0.399 nan 8.360 nan 0.000 0.411 164 F N 1.683 121.633 119.950 -0.001 0.000 2.427 164 F HA 0.177 4.704 4.527 -0.000 0.000 0.352 164 F C 1.371 177.164 175.800 -0.013 0.000 1.100 164 F CA -0.945 57.054 58.000 -0.001 0.000 1.191 164 F CB 0.514 39.518 39.000 0.007 0.000 1.128 164 F HN -0.017 nan 8.300 nan 0.000 0.533 165 D N 1.443 121.941 120.400 0.164 0.000 2.506 165 D HA 0.084 4.724 4.640 -0.000 0.000 0.272 165 D C 0.960 177.279 176.300 0.031 0.000 1.214 165 D CA -0.436 53.603 54.000 0.066 0.000 1.067 165 D CB 0.178 40.994 40.800 0.027 0.000 1.117 165 D HN 0.685 nan 8.370 nan 0.000 0.578 166 E N -0.431 119.778 120.200 0.016 0.000 2.204 166 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 166 E C 1.954 178.543 176.600 -0.018 0.000 0.989 166 E CA 0.754 57.168 56.400 0.022 0.000 0.824 166 E CB -0.389 29.331 29.700 0.034 0.000 0.756 166 E HN 0.482 nan 8.360 nan 0.000 0.477 167 L N 0.762 121.928 121.223 -0.096 0.000 2.109 167 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 167 L C 2.428 178.938 176.870 -0.601 0.000 1.086 167 L CA 1.290 56.004 54.840 -0.209 0.000 0.760 167 L CB -0.386 41.552 42.059 -0.200 0.000 0.910 167 L HN 0.101 nan 8.230 nan 0.000 0.437 168 E N 0.227 120.050 120.200 -0.629 0.000 2.204 168 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 168 E C 2.071 178.502 176.600 -0.282 0.000 0.989 168 E CA 0.810 56.801 56.400 -0.682 0.000 0.824 168 E CB -0.069 29.494 29.700 -0.229 0.000 0.756 168 E HN 0.252 nan 8.360 nan 0.000 0.477 169 L N 0.587 121.742 121.223 -0.112 0.000 2.017 169 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 169 L C 2.139 179.065 176.870 0.094 0.000 1.073 169 L CA 1.496 56.337 54.840 0.002 0.000 0.745 169 L CB -0.441 41.660 42.059 0.071 0.000 0.894 169 L HN -0.065 nan 8.230 nan 0.000 0.432 170 V N -0.303 119.719 119.914 0.180 0.000 2.295 170 V HA -0.282 3.837 4.120 -0.000 0.000 0.246 170 V C 2.462 178.801 176.094 0.409 0.000 1.049 170 V CA 1.825 64.352 62.300 0.377 0.000 1.024 170 V CB -0.913 31.196 31.823 0.477 0.000 0.648 170 V HN 0.336 nan 8.190 nan 0.000 0.447 171 F N 0.829 120.908 119.950 0.214 0.000 2.091 171 F HA -0.246 4.281 4.527 -0.000 0.000 0.299 171 F C 2.492 178.384 175.800 0.153 0.000 1.103 171 F CA 1.918 60.031 58.000 0.189 0.000 1.228 171 F CB -1.410 37.723 39.000 0.222 0.000 0.984 171 F HN 0.294 nan 8.300 nan 0.000 0.477 172 M N -1.236 118.512 119.600 0.246 0.000 2.394 172 M HA -0.008 4.472 4.480 -0.000 0.000 0.264 172 M C 1.583 177.878 176.300 -0.007 0.000 1.073 172 M CA 1.550 56.934 55.300 0.141 0.000 1.111 172 M CB -0.867 31.665 32.600 -0.114 0.000 1.401 172 M HN 0.100 nan 8.290 nan 0.000 0.448 173 L N 0.814 121.977 121.223 -0.100 0.000 2.622 173 L HA -0.001 4.339 4.340 -0.000 0.000 0.233 173 L C 2.116 178.669 176.870 -0.528 0.000 1.156 173 L CA 0.078 54.691 54.840 -0.380 0.000 0.866 173 L CB -0.477 41.493 42.059 -0.147 0.000 0.980 173 L HN 0.394 nan 8.230 nan 0.000 0.448 174 S N 0.335 115.873 115.700 -0.269 0.000 2.419 174 S HA -0.173 4.297 4.470 -0.000 0.000 0.233 174 S C 2.253 176.419 174.600 -0.724 0.000 1.016 174 S CA 1.082 59.010 58.200 -0.454 0.000 0.974 174 S CB -0.135 62.860 63.200 -0.342 0.000 0.786 174 S HN 0.562 nan 8.310 nan 0.000 0.492 175 A N 1.029 123.479 122.820 -0.616 0.000 2.076 175 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 175 A C 1.552 178.880 177.584 -0.427 0.000 1.160 175 A CA 1.201 52.969 52.037 -0.449 0.000 0.653 175 A CB -0.870 18.060 19.000 -0.117 0.000 0.801 175 A HN 0.684 nan 8.150 nan 0.000 0.455 176 H N -1.308 117.194 119.070 -0.946 0.000 2.561 176 H HA -0.017 4.539 4.556 -0.000 0.000 0.278 176 H C 2.133 176.878 175.328 -0.972 0.000 1.014 176 H CA 0.470 55.800 56.048 -1.196 0.000 1.211 176 H CB 0.223 28.692 29.762 -2.154 0.000 1.365 176 H HN 0.562 nan 8.280 nan 0.000 0.594 177 S N 0.832 116.085 115.700 -0.745 0.000 2.507 177 S HA -0.060 4.410 4.470 -0.000 0.000 0.235 177 S C 0.900 175.319 174.600 -0.303 0.000 0.988 177 S CA 0.608 58.528 58.200 -0.468 0.000 0.944 177 S CB -0.024 62.787 63.200 -0.650 0.000 0.762 177 S HN 0.286 nan 8.310 nan 0.000 0.526 178 V N -0.667 119.075 119.914 -0.286 0.000 2.384 178 V HA 0.912 5.032 4.120 -0.000 0.000 0.257 178 V C -0.478 175.232 176.094 -0.641 0.000 0.969 178 V CA -0.316 61.802 62.300 -0.303 0.000 0.910 178 V CB -0.063 31.721 31.823 -0.065 0.000 1.150 178 V HN 0.301 nan 8.190 nan 0.000 0.481 179 A N 1.889 124.371 122.820 -0.562 0.000 2.599 179 A HA 1.040 5.360 4.320 -0.000 0.000 0.294 179 A C -0.577 176.908 177.584 -0.165 0.000 1.055 179 A CA 0.005 51.825 52.037 -0.361 0.000 0.683 179 A CB 1.574 20.556 19.000 -0.029 0.000 1.278 179 A HN 2.149 nan 8.150 nan 0.000 0.412 180 A N 0.007 122.745 122.820 -0.136 0.000 2.532 180 A HA 0.861 5.181 4.320 -0.000 0.000 0.290 180 A C -1.390 176.034 177.584 -0.266 0.000 1.143 180 A CA -0.565 51.342 52.037 -0.217 0.000 0.728 180 A CB 1.427 20.382 19.000 -0.075 0.000 1.317 180 A HN 1.668 nan 8.150 nan 0.000 0.414 181 V N 1.986 121.699 119.914 -0.334 0.000 2.407 181 V HA 0.313 4.432 4.120 -0.000 0.000 0.291 181 V C -0.158 175.859 176.094 -0.128 0.000 1.018 181 V CA -0.596 61.540 62.300 -0.272 0.000 0.842 181 V CB 1.362 32.945 31.823 -0.401 0.000 0.996 181 V HN 0.893 nan 8.190 nan 0.000 0.426 182 N N 1.787 120.448 118.700 -0.064 0.000 2.368 182 N HA 0.079 4.819 4.740 -0.000 0.000 0.178 182 N C 0.584 176.085 175.510 -0.015 0.000 1.076 182 N CA 0.436 53.468 53.050 -0.030 0.000 0.889 182 N CB 0.674 39.156 38.487 -0.007 0.000 1.040 182 N HN 0.641 nan 8.380 nan 0.000 0.463 183 D N -0.243 120.151 120.400 -0.010 0.000 2.513 183 D HA 0.163 4.803 4.640 -0.000 0.000 0.222 183 D C 1.207 177.526 176.300 0.030 0.000 1.210 183 D CA 0.079 54.086 54.000 0.011 0.000 0.825 183 D CB 1.325 42.130 40.800 0.009 0.000 1.037 183 D HN -0.067 nan 8.370 nan 0.000 0.506 184 V N 0.354 120.281 119.914 0.023 0.000 2.575 184 V HA -0.033 4.087 4.120 -0.000 0.000 0.242 184 V C 0.728 176.843 176.094 0.035 0.000 1.045 184 V CA 0.889 63.221 62.300 0.054 0.000 1.065 184 V CB 0.254 32.111 31.823 0.058 0.000 0.717 184 V HN 0.063 nan 8.190 nan 0.000 0.467 185 D N 0.955 121.361 120.400 0.009 0.000 2.373 185 D HA 0.187 4.827 4.640 -0.000 0.000 0.227 185 D C -1.735 174.563 176.300 -0.003 0.000 1.091 185 D CA -2.140 51.857 54.000 -0.005 0.000 0.840 185 D CB 2.081 42.876 40.800 -0.008 0.000 1.060 185 D HN 0.151 nan 8.370 nan 0.000 0.502 186 P HA -0.054 nan 4.420 nan 0.000 0.237 186 P C 0.950 178.248 177.300 -0.003 0.000 1.178 186 P CA 0.662 63.763 63.100 0.002 0.000 0.766 186 P CB 0.132 31.835 31.700 0.005 0.000 0.876 187 T N -3.808 110.741 114.554 -0.008 0.000 3.044 187 T HA 0.213 4.563 4.350 -0.000 0.000 0.250 187 T C 0.508 175.205 174.700 -0.005 0.000 1.081 187 T CA -0.218 61.877 62.100 -0.007 0.000 1.040 187 T CB -0.142 68.720 68.868 -0.011 0.000 0.962 187 T HN -0.011 nan 8.240 nan 0.000 0.506 188 V N 0.708 120.618 119.914 -0.006 0.000 2.891 188 V HA 0.450 4.570 4.120 -0.000 0.000 0.304 188 V C -2.088 173.999 176.094 -0.013 0.000 1.171 188 V CA -0.814 61.482 62.300 -0.007 0.000 0.943 188 V CB 2.371 34.190 31.823 -0.006 0.000 1.037 188 V HN 0.414 nan 8.190 nan 0.000 0.427 189 Q N 3.332 123.125 119.800 -0.011 0.000 2.266 189 Q HA 0.651 4.991 4.340 -0.000 0.000 0.261 189 Q C 0.723 176.711 176.000 -0.021 0.000 0.985 189 Q CA -0.157 55.636 55.803 -0.015 0.000 0.873 189 Q CB 1.938 30.673 28.738 -0.004 0.000 1.306 189 Q HN 1.582 nan 8.270 nan 0.000 0.447 190 G N 1.432 110.211 108.800 -0.035 0.000 2.131 190 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.223 190 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.223 190 G C -0.216 174.649 174.900 -0.058 0.000 0.990 190 G CA -0.449 44.632 45.100 -0.032 0.000 0.671 190 G HN 0.441 nan 8.290 nan 0.000 0.521 191 L N 1.348 122.512 121.223 -0.098 0.000 2.369 191 L HA 0.359 4.699 4.340 -0.000 0.000 0.279 191 L C -1.781 174.967 176.870 -0.204 0.000 1.108 191 L CA -1.884 52.885 54.840 -0.119 0.000 0.852 191 L CB 0.828 42.816 42.059 -0.118 0.000 1.169 191 L HN -0.065 nan 8.230 nan 0.000 0.452 192 P HA 0.105 nan 4.420 nan 0.000 0.274 192 P C 0.047 177.256 177.300 -0.150 0.000 1.231 192 P CA -0.273 62.741 63.100 -0.143 0.000 0.790 192 P CB 0.537 32.213 31.700 -0.040 0.000 0.951 193 F N 0.105 120.017 119.950 -0.063 0.000 2.512 193 F HA 0.033 4.560 4.527 -0.000 0.000 0.296 193 F C 1.170 177.028 175.800 0.097 0.000 1.110 193 F CA 1.192 59.205 58.000 0.022 0.000 1.446 193 F CB -0.130 38.845 39.000 -0.041 0.000 1.092 193 F HN 0.297 nan 8.300 nan 0.000 0.554 194 D N -2.489 118.032 120.400 0.201 0.000 2.559 194 D HA 0.147 4.787 4.640 -0.000 0.000 0.250 194 D C 0.577 176.912 176.300 0.059 0.000 1.135 194 D CA -0.243 53.830 54.000 0.121 0.000 0.955 194 D CB 0.733 41.588 40.800 0.092 0.000 1.442 194 D HN -0.138 nan 8.370 nan 0.000 0.471 195 S N -1.326 114.405 115.700 0.051 0.000 2.603 195 S HA 0.028 4.498 4.470 -0.000 0.000 0.229 195 S C 0.716 175.356 174.600 0.066 0.000 0.972 195 S CA 0.690 58.930 58.200 0.067 0.000 0.935 195 S CB -1.039 62.227 63.200 0.109 0.000 0.769 195 S HN 0.715 nan 8.310 nan 0.000 0.536 196 T N -0.922 113.653 114.554 0.035 0.000 3.466 196 T HA 0.440 4.790 4.350 -0.000 0.000 0.297 196 T C -2.218 172.486 174.700 0.006 0.000 1.640 196 T CA -1.434 60.686 62.100 0.034 0.000 1.631 196 T CB 1.290 70.177 68.868 0.032 0.000 0.928 196 T HN 0.061 nan 8.240 nan 0.000 0.688 197 P HA 0.131 nan 4.420 nan 0.000 0.242 197 P C 1.318 178.667 177.300 0.083 0.000 1.197 197 P CA 0.377 63.466 63.100 -0.019 0.000 0.765 197 P CB -0.215 31.479 31.700 -0.010 0.000 0.936 198 G N -0.646 108.214 108.800 0.099 0.000 3.126 198 G HA2 0.269 4.229 3.960 -0.000 0.000 0.224 198 G HA3 0.269 4.229 3.960 -0.000 0.000 0.224 198 G C 0.426 175.374 174.900 0.081 0.000 1.142 198 G CA -0.050 45.122 45.100 0.120 0.000 0.759 198 G HN 0.203 nan 8.290 nan 0.000 0.550 199 I N 0.328 120.931 120.570 0.055 0.000 2.466 199 I HA 0.320 4.490 4.170 -0.000 0.000 0.289 199 I C -1.212 174.930 176.117 0.043 0.000 1.026 199 I CA -1.099 60.237 61.300 0.059 0.000 1.078 199 I CB 2.480 40.506 38.000 0.042 0.000 1.249 199 I HN -0.065 nan 8.210 nan 0.000 0.429 200 F N 7.826 127.743 119.950 -0.054 0.000 2.464 200 F HA 0.238 4.765 4.527 0.000 0.000 0.353 200 F C -0.047 175.745 175.800 -0.014 0.000 1.191 200 F CA 0.010 57.951 58.000 -0.098 0.000 1.147 200 F CB -0.190 38.735 39.000 -0.124 0.000 1.294 200 F HN 0.565 nan 8.300 nan 0.000 0.583 201 D N 1.158 121.295 120.400 -0.437 0.000 2.812 201 D HA 0.251 4.891 4.640 -0.000 0.000 0.318 201 D C -0.551 175.517 176.300 -0.387 0.000 1.234 201 D CA -0.794 53.026 54.000 -0.301 0.000 0.989 201 D CB 0.982 41.550 40.800 -0.387 0.000 1.442 201 D HN 0.052 nan 8.370 nan 0.000 0.537 202 S N -0.648 114.818 115.700 -0.390 0.000 2.583 202 S HA 0.025 4.494 4.470 -0.000 0.000 0.239 202 S C 1.021 175.495 174.600 -0.209 0.000 0.966 202 S CA -0.321 57.807 58.200 -0.119 0.000 0.973 202 S CB -0.017 63.215 63.200 0.054 0.000 0.794 202 S HN 0.288 nan 8.310 nan 0.000 0.463 203 Q N 0.296 119.889 119.800 -0.346 0.000 2.224 203 Q HA -0.007 4.333 4.340 -0.000 0.000 0.203 203 Q C 1.555 177.465 176.000 -0.150 0.000 0.970 203 Q CA 0.875 56.494 55.803 -0.307 0.000 0.865 203 Q CB -0.449 28.088 28.738 -0.335 0.000 0.922 203 Q HN 0.668 nan 8.270 nan 0.000 0.445 204 F N 0.608 120.360 119.950 -0.332 0.000 2.095 204 F HA -0.238 4.289 4.527 0.000 0.000 0.298 204 F C 1.597 177.176 175.800 -0.368 0.000 1.104 204 F CA 1.294 59.059 58.000 -0.392 0.000 1.232 204 F CB -0.378 38.222 39.000 -0.667 0.000 0.987 204 F HN -0.044 nan 8.300 nan 0.000 0.475 205 F N -0.403 119.351 119.950 -0.326 0.000 2.259 205 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 205 F C 2.308 178.121 175.800 0.023 0.000 1.088 205 F CA 1.109 58.912 58.000 -0.329 0.000 1.358 205 F CB -1.166 37.626 39.000 -0.347 0.000 1.040 205 F HN -0.176 nan 8.300 nan 0.000 0.505 206 V N 0.009 120.012 119.914 0.148 0.000 2.283 206 V HA -0.236 3.884 4.120 -0.000 0.000 0.243 206 V C 2.061 178.257 176.094 0.170 0.000 1.039 206 V CA 1.967 64.416 62.300 0.247 0.000 1.016 206 V CB -0.562 31.291 31.823 0.050 0.000 0.650 206 V HN 0.277 nan 8.190 nan 0.000 0.449 207 E N 0.356 120.584 120.200 0.047 0.000 2.208 207 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 207 E C 2.165 178.781 176.600 0.028 0.000 0.988 207 E CA 1.491 57.917 56.400 0.045 0.000 0.828 207 E CB -0.221 29.498 29.700 0.032 0.000 0.763 207 E HN 0.803 nan 8.360 nan 0.000 0.478 208 T N -1.227 113.317 114.554 -0.017 0.000 3.035 208 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 208 T C 1.815 176.523 174.700 0.012 0.000 1.109 208 T CA 0.649 62.744 62.100 -0.008 0.000 1.119 208 T CB 0.098 68.915 68.868 -0.084 0.000 0.900 208 T HN -0.070 nan 8.240 nan 0.000 0.503 209 Q N 0.135 119.977 119.800 0.071 0.000 2.425 209 Q HA 0.388 4.728 4.340 -0.000 0.000 0.204 209 Q C 0.365 176.319 176.000 -0.076 0.000 0.933 209 Q CA 0.016 55.823 55.803 0.007 0.000 0.939 209 Q CB -0.360 28.453 28.738 0.126 0.000 1.044 209 Q HN 0.601 nan 8.270 nan 0.000 0.513 210 L N 0.739 121.936 121.223 -0.043 0.000 2.466 210 L HA 0.298 4.638 4.340 -0.000 0.000 0.257 210 L C 0.608 177.446 176.870 -0.054 0.000 1.189 210 L CA -0.697 54.097 54.840 -0.077 0.000 0.813 210 L CB 0.438 42.472 42.059 -0.042 0.000 1.118 210 L HN 0.052 nan 8.230 nan 0.000 0.471 211 R N 0.504 120.961 120.500 -0.071 0.000 2.489 211 R HA 0.161 4.501 4.340 -0.000 0.000 0.287 211 R C -0.006 176.270 176.300 -0.041 0.000 1.053 211 R CA -0.089 55.983 56.100 -0.046 0.000 1.036 211 R CB 0.564 30.826 30.300 -0.064 0.000 0.966 211 R HN 0.776 nan 8.270 nan 0.000 0.432 212 G N 1.857 110.638 108.800 -0.031 0.000 2.355 212 G HA2 0.171 4.131 3.960 -0.000 0.000 0.276 212 G HA3 0.171 4.131 3.960 -0.000 0.000 0.276 212 G C 0.684 175.510 174.900 -0.124 0.000 1.198 212 G CA -0.188 44.860 45.100 -0.087 0.000 0.876 212 G HN 0.821 nan 8.290 nan 0.000 0.478 213 T N -1.423 113.054 114.554 -0.130 0.000 2.958 213 T HA 0.619 4.969 4.350 -0.000 0.000 0.256 213 T C 0.661 175.276 174.700 -0.142 0.000 0.983 213 T CA 0.713 62.742 62.100 -0.117 0.000 0.924 213 T CB 0.499 69.322 68.868 -0.075 0.000 1.136 213 T HN 1.345 nan 8.240 nan 0.000 0.506 214 A N 0.402 123.109 122.820 -0.189 0.000 2.610 214 A HA 0.688 5.008 4.320 -0.000 0.000 0.291 214 A C -1.859 175.577 177.584 -0.247 0.000 1.086 214 A CA -0.970 50.964 52.037 -0.171 0.000 0.677 214 A CB 0.590 19.562 19.000 -0.048 0.000 1.278 214 A HN 0.195 nan 8.150 nan 0.000 0.414 215 F N 1.328 121.272 119.950 -0.009 0.000 2.385 215 F HA 0.475 5.002 4.527 -0.000 0.000 0.336 215 F C -0.825 174.971 175.800 -0.008 0.000 1.100 215 F CA -1.319 56.675 58.000 -0.009 0.000 1.116 215 F CB 1.221 40.215 39.000 -0.009 0.000 1.166 215 F HN 0.454 nan 8.300 nan 0.000 0.511 216 P HA 0.065 nan 4.420 nan 0.000 0.222 216 P C 0.641 177.988 177.300 0.079 0.000 1.153 216 P CA 1.053 64.205 63.100 0.088 0.000 0.798 216 P CB 0.517 32.249 31.700 0.055 0.000 0.796 217 G N 0.063 108.918 108.800 0.093 0.000 2.844 217 G HA2 0.281 4.241 3.960 -0.000 0.000 0.204 217 G HA3 0.281 4.241 3.960 -0.000 0.000 0.204 217 G C -0.385 174.533 174.900 0.029 0.000 1.815 217 G CA 0.308 45.434 45.100 0.044 0.000 0.739 217 G HN 0.321 nan 8.290 nan 0.000 0.807 218 S N -0.131 115.557 115.700 -0.021 0.000 2.610 218 S HA 0.635 5.105 4.470 -0.000 0.000 0.273 218 S C 0.418 174.873 174.600 -0.242 0.000 1.274 218 S CA 0.132 58.279 58.200 -0.087 0.000 1.023 218 S CB 1.352 64.500 63.200 -0.087 0.000 0.962 218 S HN 0.916 nan 8.310 nan 0.000 0.523 219 G N -0.732 107.850 108.800 -0.363 0.000 2.476 219 G HA2 0.515 4.475 3.960 -0.000 0.000 0.286 219 G HA3 0.515 4.475 3.960 -0.000 0.000 0.286 219 G C 0.938 175.317 174.900 -0.867 0.000 1.177 219 G CA -0.482 44.043 45.100 -0.957 0.000 0.870 219 G HN 2.026 nan 8.290 nan 0.000 0.528 220 G N -0.041 108.025 108.800 -1.224 0.000 2.179 220 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.257 220 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.257 220 G C 0.381 175.128 174.900 -0.256 0.000 1.010 220 G CA 0.180 44.990 45.100 -0.483 0.000 0.736 220 G HN 0.725 nan 8.290 nan 0.000 0.513 221 N N 0.222 118.776 118.700 -0.245 0.000 2.482 221 N HA 0.203 4.943 4.740 -0.000 0.000 0.260 221 N C 0.570 176.078 175.510 -0.003 0.000 1.236 221 N CA -0.098 52.898 53.050 -0.090 0.000 0.938 221 N CB 0.550 39.005 38.487 -0.053 0.000 1.128 221 N HN 0.618 nan 8.380 nan 0.000 0.448 222 Q N 0.164 119.975 119.800 0.019 0.000 2.300 222 Q HA 0.161 4.500 4.340 -0.000 0.000 0.280 222 Q C 0.754 176.873 176.000 0.199 0.000 1.033 222 Q CA 0.660 56.493 55.803 0.050 0.000 0.903 222 Q CB 0.103 28.818 28.738 -0.039 0.000 1.195 222 Q HN 0.865 nan 8.270 nan 0.000 0.386 223 G N 3.076 112.029 108.800 0.255 0.000 2.179 223 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 223 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 223 G C -0.104 174.936 174.900 0.232 0.000 0.977 223 G CA 0.447 45.739 45.100 0.320 0.000 0.641 223 G HN 0.652 nan 8.290 nan 0.000 0.533 224 E N -0.109 120.213 120.200 0.202 0.000 2.195 224 E HA 0.650 5.000 4.350 -0.000 0.000 0.271 224 E C 0.364 177.132 176.600 0.279 0.000 0.923 224 E CA -0.391 56.145 56.400 0.227 0.000 0.790 224 E CB 2.172 31.999 29.700 0.212 0.000 1.155 224 E HN 0.723 nan 8.360 nan 0.000 0.402 225 V N 0.017 120.050 119.914 0.199 0.000 3.164 225 V HA 0.537 4.657 4.120 -0.000 0.000 0.313 225 V C -0.178 175.783 176.094 -0.222 0.000 1.188 225 V CA -1.018 61.299 62.300 0.028 0.000 1.058 225 V CB 1.493 33.185 31.823 -0.219 0.000 1.110 225 V HN 0.732 nan 8.190 nan 0.000 0.453 226 E N 1.279 121.130 120.200 -0.582 0.000 2.404 226 E HA 0.422 4.772 4.350 -0.000 0.000 0.261 226 E C -0.034 176.384 176.600 -0.303 0.000 1.074 226 E CA 0.225 56.190 56.400 -0.725 0.000 0.917 226 E CB 1.149 30.461 29.700 -0.647 0.000 0.965 226 E HN 0.959 nan 8.360 nan 0.000 0.433 227 S N 1.484 117.056 115.700 -0.214 0.000 2.704 227 S HA 0.446 4.916 4.470 -0.000 0.000 0.305 227 S C -2.170 172.389 174.600 -0.069 0.000 1.107 227 S CA -1.352 56.804 58.200 -0.075 0.000 0.993 227 S CB 2.018 65.209 63.200 -0.016 0.000 1.110 227 S HN 0.300 nan 8.310 nan 0.000 0.534 228 P HA 0.358 nan 4.420 nan 0.000 0.257 228 P C -0.391 176.901 177.300 -0.013 0.000 1.241 228 P CA 0.122 63.206 63.100 -0.026 0.000 0.816 228 P CB 0.101 31.796 31.700 -0.009 0.000 1.150 229 L N 0.204 121.426 121.223 -0.000 0.000 2.445 229 L HA 0.498 4.838 4.340 -0.000 0.000 0.262 229 L C -2.737 174.139 176.870 0.011 0.000 0.974 229 L CA -2.904 51.943 54.840 0.011 0.000 0.822 229 L CB 2.691 44.769 42.059 0.031 0.000 1.339 229 L HN -0.378 nan 8.230 nan 0.000 0.409 230 P HA 0.128 nan 4.420 nan 0.000 0.265 230 P C 0.769 178.078 177.300 0.016 0.000 1.193 230 P CA 0.706 63.814 63.100 0.014 0.000 0.765 230 P CB 0.820 32.528 31.700 0.013 0.000 0.823 231 G N 1.356 110.165 108.800 0.016 0.000 2.253 231 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.251 231 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.251 231 G C 0.157 175.057 174.900 0.001 0.000 0.998 231 G CA 0.232 45.337 45.100 0.009 0.000 0.621 231 G HN 0.674 nan 8.290 nan 0.000 0.524 232 E N 0.246 120.452 120.200 0.010 0.000 2.231 232 E HA 0.676 5.026 4.350 -0.000 0.000 0.277 232 E C -0.159 176.444 176.600 0.005 0.000 0.999 232 E CA -0.940 55.465 56.400 0.008 0.000 0.827 232 E CB 1.021 30.742 29.700 0.036 0.000 1.101 232 E HN 0.381 nan 8.360 nan 0.000 0.393 233 I N 3.347 123.899 120.570 -0.031 0.000 2.607 233 I HA 0.452 4.622 4.170 -0.000 0.000 0.305 233 I C -0.740 175.420 176.117 0.073 0.000 0.995 233 I CA -0.874 60.417 61.300 -0.015 0.000 1.148 233 I CB 1.084 39.013 38.000 -0.118 0.000 1.323 233 I HN 0.562 nan 8.210 nan 0.000 0.461 234 R N 7.456 128.033 120.500 0.128 0.000 2.575 234 R HA 0.541 4.881 4.340 -0.000 0.000 0.293 234 R C -1.295 175.149 176.300 0.239 0.000 0.983 234 R CA -0.683 55.557 56.100 0.233 0.000 0.887 234 R CB 1.557 31.953 30.300 0.160 0.000 1.184 234 R HN 0.703 nan 8.270 nan 0.000 0.445 235 I N 0.422 121.206 120.570 0.356 0.000 2.664 235 I HA 0.277 4.447 4.170 -0.000 0.000 0.308 235 I C 1.164 177.430 176.117 0.249 0.000 0.984 235 I CA -0.828 60.656 61.300 0.305 0.000 1.213 235 I CB 1.739 39.969 38.000 0.384 0.000 1.379 235 I HN 0.743 nan 8.210 nan 0.000 0.501 236 Q N 2.194 122.118 119.800 0.207 0.000 2.084 236 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 236 Q C 2.064 178.177 176.000 0.189 0.000 0.978 236 Q CA 2.717 58.628 55.803 0.179 0.000 0.844 236 Q CB 0.069 28.914 28.738 0.178 0.000 0.898 236 Q HN 0.986 nan 8.270 nan 0.000 0.426 237 S N 0.502 116.310 115.700 0.179 0.000 2.368 237 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 237 S C 1.413 176.087 174.600 0.123 0.000 1.030 237 S CA 1.355 59.642 58.200 0.145 0.000 0.999 237 S CB -0.406 62.877 63.200 0.138 0.000 0.844 237 S HN 0.366 nan 8.310 nan 0.000 0.459 238 D N 1.094 121.612 120.400 0.197 0.000 2.097 238 D HA -0.091 4.549 4.640 -0.000 0.000 0.195 238 D C 1.817 178.061 176.300 -0.093 0.000 0.989 238 D CA 1.616 55.728 54.000 0.186 0.000 0.827 238 D CB -0.750 40.311 40.800 0.435 0.000 0.966 238 D HN 0.686 nan 8.370 nan 0.000 0.456 239 H N 0.157 119.192 119.070 -0.059 0.000 2.319 239 H HA -0.126 4.430 4.556 -0.000 0.000 0.299 239 H C 1.942 177.150 175.328 -0.199 0.000 1.092 239 H CA 3.001 58.972 56.048 -0.128 0.000 1.302 239 H CB -0.118 29.624 29.762 -0.033 0.000 1.373 239 H HN 0.177 nan 8.280 nan 0.000 0.497 240 T N -1.797 112.723 114.554 -0.058 0.000 2.942 240 T HA -0.041 4.309 4.350 -0.000 0.000 0.265 240 T C 2.181 176.749 174.700 -0.220 0.000 1.062 240 T CA 1.174 63.207 62.100 -0.112 0.000 1.139 240 T CB -0.403 68.487 68.868 0.036 0.000 0.883 240 T HN 0.363 nan 8.240 nan 0.000 0.468 241 I N 1.839 122.247 120.570 -0.269 0.000 2.315 241 I HA -0.044 4.126 4.170 -0.000 0.000 0.248 241 I C 3.079 178.836 176.117 -0.601 0.000 1.117 241 I CA 1.086 62.202 61.300 -0.306 0.000 1.404 241 I CB -0.456 37.456 38.000 -0.146 0.000 1.071 241 I HN 0.326 nan 8.210 nan 0.000 0.419 242 A N 0.539 122.687 122.820 -1.119 0.000 2.066 242 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 242 A C 2.240 179.470 177.584 -0.590 0.000 1.157 242 A CA 1.184 52.399 52.037 -1.370 0.000 0.670 242 A CB -0.325 17.790 19.000 -1.475 0.000 0.804 242 A HN 0.367 nan 8.150 nan 0.000 0.453 243 R N -0.701 119.533 120.500 -0.444 0.000 2.404 243 R HA 0.106 4.446 4.340 -0.000 0.000 0.237 243 R C -0.137 176.066 176.300 -0.161 0.000 0.907 243 R CA -0.166 55.772 56.100 -0.271 0.000 1.063 243 R CB 0.354 30.466 30.300 -0.313 0.000 1.134 243 R HN 0.439 nan 8.270 nan 0.000 0.529 244 D N 0.774 121.086 120.400 -0.147 0.000 2.424 244 D HA -0.047 4.593 4.640 -0.000 0.000 0.244 244 D C 0.972 177.247 176.300 -0.042 0.000 1.134 244 D CA 0.253 54.209 54.000 -0.072 0.000 0.881 244 D CB 1.353 42.120 40.800 -0.054 0.000 1.191 244 D HN 0.117 nan 8.370 nan 0.000 0.445 245 S N 4.040 119.726 115.700 -0.023 0.000 2.442 245 S HA -0.164 4.306 4.470 -0.000 0.000 0.236 245 S C 1.656 176.258 174.600 0.004 0.000 1.007 245 S CA 0.634 58.828 58.200 -0.008 0.000 0.965 245 S CB -0.014 63.182 63.200 -0.006 0.000 0.773 245 S HN 0.538 nan 8.310 nan 0.000 0.504 246 R N 1.056 121.561 120.500 0.008 0.000 2.090 246 R HA 0.013 4.353 4.340 -0.000 0.000 0.228 246 R C 2.256 178.578 176.300 0.036 0.000 1.110 246 R CA 1.710 57.821 56.100 0.019 0.000 0.973 246 R CB -0.490 29.823 30.300 0.021 0.000 0.869 246 R HN 0.758 nan 8.270 nan 0.000 0.440 247 T N -3.392 111.189 114.554 0.045 0.000 3.010 247 T HA 0.340 4.690 4.350 -0.000 0.000 0.257 247 T C 1.784 176.564 174.700 0.133 0.000 1.020 247 T CA 0.224 62.385 62.100 0.101 0.000 0.938 247 T CB 0.685 69.632 68.868 0.131 0.000 1.049 247 T HN 0.124 nan 8.240 nan 0.000 0.522 248 A N 0.996 123.852 122.820 0.062 0.000 1.902 248 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 248 A C 2.492 180.155 177.584 0.131 0.000 1.181 248 A CA 1.408 53.487 52.037 0.071 0.000 0.623 248 A CB -1.391 17.609 19.000 0.000 0.000 0.818 248 A HN 0.660 nan 8.150 nan 0.000 0.443 249 c N -1.212 117.434 118.600 0.077 0.000 2.435 249 c HA -0.003 4.567 4.570 -0.000 0.000 0.279 249 c C 2.655 176.756 174.090 0.019 0.000 1.321 249 c CA 1.286 57.642 56.329 0.045 0.000 1.752 249 c CB -0.866 41.652 42.510 0.013 0.000 1.959 249 c HN 0.759 nan 8.230 nan 0.000 0.500 250 E N -0.107 120.125 120.200 0.052 0.000 2.107 250 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 250 E C 2.011 178.604 176.600 -0.012 0.000 0.982 250 E CA 0.933 57.325 56.400 -0.012 0.000 0.809 250 E CB -0.367 29.391 29.700 0.096 0.000 0.756 250 E HN 0.730 nan 8.360 nan 0.000 0.459 251 W N 1.236 122.538 121.300 0.003 0.000 2.358 251 W HA -0.186 4.474 4.660 -0.000 0.000 0.303 251 W C 1.944 178.455 176.519 -0.013 0.000 1.208 251 W CA 1.841 59.245 57.345 0.099 0.000 1.274 251 W CB -0.235 29.341 29.460 0.194 0.000 1.138 251 W HN 0.255 nan 8.180 nan 0.000 0.515 252 Q N 0.426 120.362 119.800 0.226 0.000 2.297 252 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 252 Q C 2.330 178.227 176.000 -0.171 0.000 0.962 252 Q CA 1.775 57.623 55.803 0.074 0.000 0.879 252 Q CB -0.180 28.618 28.738 0.100 0.000 0.947 252 Q HN 0.202 nan 8.270 nan 0.000 0.462 253 S N -0.557 114.965 115.700 -0.296 0.000 2.442 253 S HA -0.118 4.352 4.470 -0.000 0.000 0.236 253 S C 1.313 175.585 174.600 -0.546 0.000 1.007 253 S CA 0.678 58.615 58.200 -0.439 0.000 0.965 253 S CB -0.426 62.449 63.200 -0.541 0.000 0.773 253 S HN 0.399 nan 8.310 nan 0.000 0.504 254 F N 1.943 121.660 119.950 -0.389 0.000 2.558 254 F HA 0.318 4.845 4.527 -0.000 0.000 0.298 254 F C 0.975 176.653 175.800 -0.205 0.000 1.119 254 F CA -0.640 57.124 58.000 -0.393 0.000 1.451 254 F CB -0.545 37.946 39.000 -0.849 0.000 1.091 254 F HN -0.022 nan 8.300 nan 0.000 0.563 255 V N 1.780 121.645 119.914 -0.082 0.000 2.493 255 V HA -0.054 4.066 4.120 -0.000 0.000 0.292 255 V C 0.812 176.857 176.094 -0.082 0.000 1.016 255 V CA 0.112 62.344 62.300 -0.113 0.000 1.097 255 V CB -0.235 31.386 31.823 -0.338 0.000 0.947 255 V HN 0.524 nan 8.190 nan 0.000 0.479 256 N N 3.128 121.864 118.700 0.060 0.000 2.741 256 N HA -0.205 4.535 4.740 -0.000 0.000 0.250 256 N C -0.113 175.447 175.510 0.085 0.000 1.115 256 N CA 1.088 54.227 53.050 0.148 0.000 0.724 256 N CB -0.968 37.502 38.487 -0.028 0.000 1.090 256 N HN 0.808 nan 8.380 nan 0.000 0.558 257 N N 0.468 119.218 118.700 0.083 0.000 2.750 257 N HA 0.180 4.920 4.740 -0.000 0.000 0.253 257 N C 0.565 175.987 175.510 -0.147 0.000 1.408 257 N CA -0.268 52.738 53.050 -0.074 0.000 0.780 257 N CB 0.614 39.045 38.487 -0.094 0.000 1.191 257 N HN 0.394 nan 8.380 nan 0.000 0.511 258 Q N 0.608 120.087 119.800 -0.535 0.000 2.079 258 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 258 Q C 1.465 177.292 176.000 -0.288 0.000 0.974 258 Q CA 2.109 57.444 55.803 -0.780 0.000 0.840 258 Q CB 0.220 28.181 28.738 -1.295 0.000 0.898 258 Q HN 0.591 nan 8.270 nan 0.000 0.430 259 S N 0.045 115.608 115.700 -0.228 0.000 2.382 259 S HA -0.202 4.268 4.470 -0.000 0.000 0.228 259 S C 1.893 176.452 174.600 -0.067 0.000 1.027 259 S CA 1.347 59.473 58.200 -0.123 0.000 0.991 259 S CB -0.290 62.842 63.200 -0.114 0.000 0.823 259 S HN 0.376 nan 8.310 nan 0.000 0.469 260 K N 0.534 120.900 120.400 -0.056 0.000 2.057 260 K HA 0.001 4.321 4.320 -0.000 0.000 0.206 260 K C 2.217 178.906 176.600 0.147 0.000 1.050 260 K CA 1.167 57.443 56.287 -0.019 0.000 0.935 260 K CB -0.356 32.075 32.500 -0.115 0.000 0.715 260 K HN 0.382 nan 8.250 nan 0.000 0.439 261 L N 0.935 122.290 121.223 0.220 0.000 1.989 261 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 261 L C 2.035 178.998 176.870 0.155 0.000 1.071 261 L CA 1.548 56.464 54.840 0.126 0.000 0.749 261 L CB -0.473 41.626 42.059 0.066 0.000 0.890 261 L HN -0.010 nan 8.230 nan 0.000 0.431 262 V N -0.075 119.931 119.914 0.153 0.000 2.358 262 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 262 V C 2.240 178.394 176.094 0.100 0.000 1.047 262 V CA 1.989 64.390 62.300 0.168 0.000 1.035 262 V CB -0.749 31.119 31.823 0.076 0.000 0.658 262 V HN 0.497 nan 8.190 nan 0.000 0.452 263 D N -0.137 120.286 120.400 0.038 0.000 2.117 263 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 263 D C 1.921 178.220 176.300 -0.002 0.000 0.982 263 D CA 1.277 55.281 54.000 0.006 0.000 0.828 263 D CB -0.338 40.437 40.800 -0.043 0.000 0.967 263 D HN 0.395 nan 8.370 nan 0.000 0.464 264 D N -0.446 119.906 120.400 -0.080 0.000 2.117 264 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 264 D C 1.771 178.094 176.300 0.038 0.000 0.982 264 D CA 0.393 54.224 54.000 -0.281 0.000 0.828 264 D CB -0.349 39.965 40.800 -0.810 0.000 0.967 264 D HN 0.164 nan 8.370 nan 0.000 0.464 265 F N 1.444 121.390 119.950 -0.006 0.000 2.206 265 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 265 F C 2.408 178.254 175.800 0.075 0.000 1.090 265 F CA 1.070 59.113 58.000 0.072 0.000 1.323 265 F CB -0.143 38.939 39.000 0.136 0.000 1.028 265 F HN -0.129 nan 8.300 nan 0.000 0.492 266 Q N -0.326 119.487 119.800 0.021 0.000 2.077 266 Q HA -0.306 4.034 4.340 -0.000 0.000 0.206 266 Q C 2.347 178.344 176.000 -0.006 0.000 0.989 266 Q CA 2.452 58.231 55.803 -0.040 0.000 0.853 266 Q CB -0.693 28.059 28.738 0.024 0.000 0.907 266 Q HN 0.506 nan 8.270 nan 0.000 0.418 267 F N 0.466 120.381 119.950 -0.059 0.000 2.069 267 F HA -0.233 4.294 4.527 0.000 0.000 0.298 267 F C 1.943 177.729 175.800 -0.023 0.000 1.113 267 F CA 1.487 59.480 58.000 -0.012 0.000 1.214 267 F CB -0.375 38.640 39.000 0.025 0.000 0.978 267 F HN 0.194 nan 8.300 nan 0.000 0.474 268 I N -0.387 120.105 120.570 -0.130 0.000 2.546 268 I HA -0.148 4.022 4.170 -0.000 0.000 0.255 268 I C 2.075 177.955 176.117 -0.395 0.000 1.163 268 I CA 0.984 62.101 61.300 -0.305 0.000 1.457 268 I CB -0.863 37.160 38.000 0.040 0.000 1.092 268 I HN 0.300 nan 8.210 nan 0.000 0.434 269 F N 0.072 119.641 119.950 -0.635 0.000 2.113 269 F HA -0.214 4.313 4.527 -0.000 0.000 0.297 269 F C 2.180 177.789 175.800 -0.319 0.000 1.103 269 F CA 1.566 59.221 58.000 -0.574 0.000 1.248 269 F CB -0.418 38.119 39.000 -0.771 0.000 0.999 269 F HN 0.113 nan 8.300 nan 0.000 0.475 270 L N 1.150 122.294 121.223 -0.133 0.000 2.012 270 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 270 L C 2.484 179.174 176.870 -0.300 0.000 1.073 270 L CA 2.214 56.955 54.840 -0.165 0.000 0.748 270 L CB -1.575 40.423 42.059 -0.100 0.000 0.891 270 L HN 0.195 nan 8.230 nan 0.000 0.431 271 A N -0.670 121.932 122.820 -0.362 0.000 1.940 271 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 271 A C 2.306 179.818 177.584 -0.121 0.000 1.176 271 A CA 2.064 53.950 52.037 -0.252 0.000 0.631 271 A CB -0.923 17.916 19.000 -0.268 0.000 0.814 271 A HN 0.528 nan 8.150 nan 0.000 0.446 272 L N -0.192 120.909 121.223 -0.204 0.000 2.046 272 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 272 L C 2.930 179.698 176.870 -0.169 0.000 1.077 272 L CA 1.821 56.587 54.840 -0.123 0.000 0.747 272 L CB -0.765 41.179 42.059 -0.190 0.000 0.896 272 L HN 0.665 nan 8.230 nan 0.000 0.432 273 T N -3.870 110.497 114.554 -0.311 0.000 3.072 273 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 273 T C 1.496 176.110 174.700 -0.143 0.000 1.127 273 T CA 0.719 62.675 62.100 -0.239 0.000 1.107 273 T CB -0.069 68.634 68.868 -0.274 0.000 0.910 273 T HN 0.403 nan 8.240 nan 0.000 0.513 274 Q N 0.174 119.881 119.800 -0.155 0.000 2.282 274 Q HA 0.381 4.721 4.340 -0.000 0.000 0.206 274 Q C -0.067 175.877 176.000 -0.093 0.000 0.878 274 Q CA -0.319 55.399 55.803 -0.142 0.000 0.944 274 Q CB 0.210 28.819 28.738 -0.215 0.000 1.100 274 Q HN 0.529 nan 8.270 nan 0.000 0.509 275 L N 0.558 121.744 121.223 -0.061 0.000 2.499 275 L HA 0.040 4.380 4.340 -0.000 0.000 0.273 275 L C 1.235 178.079 176.870 -0.044 0.000 1.195 275 L CA 0.816 55.628 54.840 -0.047 0.000 0.882 275 L CB 0.216 42.265 42.059 -0.015 0.000 1.133 275 L HN 0.445 nan 8.230 nan 0.000 0.483 276 G N 1.510 110.277 108.800 -0.055 0.000 2.179 276 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.260 276 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.260 276 G C 0.190 175.075 174.900 -0.025 0.000 0.977 276 G CA -0.284 44.794 45.100 -0.037 0.000 0.641 276 G HN 0.514 nan 8.290 nan 0.000 0.533 277 Q N 0.065 119.841 119.800 -0.040 0.000 2.359 277 Q HA 0.579 4.919 4.340 -0.000 0.000 0.275 277 Q C -1.139 174.829 176.000 -0.053 0.000 1.082 277 Q CA -0.744 55.037 55.803 -0.037 0.000 0.849 277 Q CB 1.699 30.409 28.738 -0.046 0.000 1.377 277 Q HN 0.279 nan 8.270 nan 0.000 0.452 278 D N 0.798 121.172 120.400 -0.043 0.000 2.392 278 D HA 0.289 4.929 4.640 -0.000 0.000 0.228 278 D C -1.885 174.375 176.300 -0.066 0.000 1.074 278 D CA -2.086 51.885 54.000 -0.048 0.000 0.838 278 D CB 1.433 42.216 40.800 -0.027 0.000 1.067 278 D HN 0.004 nan 8.370 nan 0.000 0.511 279 P HA -0.103 nan 4.420 nan 0.000 0.216 279 P C 0.723 177.969 177.300 -0.091 0.000 1.150 279 P CA 0.885 63.892 63.100 -0.154 0.000 0.837 279 P CB 0.252 31.842 31.700 -0.184 0.000 0.786 280 N N -0.738 117.935 118.700 -0.046 0.000 2.515 280 N HA 0.003 4.743 4.740 -0.000 0.000 0.185 280 N C 1.259 176.772 175.510 0.007 0.000 1.109 280 N CA 0.793 53.838 53.050 -0.009 0.000 0.903 280 N CB -0.164 38.320 38.487 -0.006 0.000 0.969 280 N HN 0.129 nan 8.380 nan 0.000 0.450 281 A N 0.220 123.039 122.820 -0.001 0.000 2.308 281 A HA 0.256 4.576 4.320 -0.000 0.000 0.217 281 A C 0.922 178.519 177.584 0.023 0.000 1.216 281 A CA -0.086 51.957 52.037 0.010 0.000 0.864 281 A CB 0.086 19.089 19.000 0.005 0.000 0.902 281 A HN 0.083 nan 8.150 nan 0.000 0.499 282 M N -0.396 119.228 119.600 0.039 0.000 2.528 282 M HA 0.344 4.824 4.480 -0.000 0.000 0.318 282 M C -0.575 175.805 176.300 0.133 0.000 1.195 282 M CA -0.118 55.230 55.300 0.079 0.000 1.000 282 M CB 1.704 34.358 32.600 0.090 0.000 1.615 282 M HN -0.006 nan 8.290 nan 0.000 0.469 283 T N 0.349 114.936 114.554 0.054 0.000 2.794 283 T HA 0.180 4.530 4.350 -0.000 0.000 0.280 283 T C -0.804 173.716 174.700 -0.300 0.000 0.987 283 T CA -0.539 61.524 62.100 -0.062 0.000 0.993 283 T CB 0.913 69.722 68.868 -0.098 0.000 0.939 283 T HN 0.466 nan 8.240 nan 0.000 0.449 284 D N 1.836 121.964 120.400 -0.454 0.000 2.352 284 D HA 0.156 4.796 4.640 -0.000 0.000 0.245 284 D C -0.068 175.856 176.300 -0.626 0.000 1.224 284 D CA -0.628 52.769 54.000 -1.004 0.000 0.879 284 D CB 0.158 40.460 40.800 -0.830 0.000 1.057 284 D HN 0.496 nan 8.370 nan 0.000 0.491 285 c N 2.971 121.154 118.600 -0.694 0.000 2.548 285 c HA 0.175 4.745 4.570 -0.000 0.000 0.297 285 c C 2.080 176.042 174.090 -0.212 0.000 1.422 285 c CA -0.443 55.646 56.329 -0.399 0.000 1.785 285 c CB -1.307 40.952 42.510 -0.418 0.000 2.593 285 c HN 0.576 nan 8.230 nan 0.000 0.545 286 S N 1.456 116.989 115.700 -0.278 0.000 2.419 286 S HA -0.159 4.311 4.470 -0.000 0.000 0.235 286 S C 1.399 175.975 174.600 -0.040 0.000 1.019 286 S CA 1.363 59.501 58.200 -0.104 0.000 0.982 286 S CB -0.190 62.935 63.200 -0.124 0.000 0.789 286 S HN 0.666 nan 8.310 nan 0.000 0.490 287 D N 1.033 121.405 120.400 -0.048 0.000 2.350 287 D HA -0.014 4.626 4.640 -0.000 0.000 0.216 287 D C 1.677 178.001 176.300 0.041 0.000 0.968 287 D CA 0.417 54.427 54.000 0.017 0.000 0.894 287 D CB -0.098 40.733 40.800 0.051 0.000 0.909 287 D HN 0.265 nan 8.370 nan 0.000 0.520 288 V N 1.134 121.008 119.914 -0.068 0.000 2.719 288 V HA -0.103 4.017 4.120 -0.000 0.000 0.252 288 V C 1.228 177.284 176.094 -0.064 0.000 1.065 288 V CA 0.439 62.572 62.300 -0.280 0.000 1.086 288 V CB -0.019 31.580 31.823 -0.373 0.000 0.700 288 V HN 0.115 nan 8.190 nan 0.000 0.467 289 I N 1.864 122.424 120.570 -0.017 0.000 2.618 289 I HA 0.192 4.362 4.170 -0.000 0.000 0.284 289 I C -2.015 174.084 176.117 -0.031 0.000 1.146 289 I CA -2.510 58.746 61.300 -0.074 0.000 1.425 289 I CB -0.356 37.585 38.000 -0.098 0.000 1.383 289 I HN 0.126 nan 8.210 nan 0.000 0.562 290 P HA 0.087 nan 4.420 nan 0.000 0.269 290 P C -0.396 176.884 177.300 -0.034 0.000 1.215 290 P CA -0.329 62.765 63.100 -0.011 0.000 0.780 290 P CB 0.436 32.117 31.700 -0.031 0.000 0.898 291 Q N 0.676 120.468 119.800 -0.013 0.000 2.337 291 Q HA 0.165 4.505 4.340 -0.000 0.000 0.270 291 Q C 0.094 176.069 176.000 -0.042 0.000 1.002 291 Q CA 0.243 56.032 55.803 -0.024 0.000 0.888 291 Q CB 0.359 29.093 28.738 -0.007 0.000 1.222 291 Q HN 0.448 nan 8.270 nan 0.000 0.400 292 S N 1.734 117.400 115.700 -0.058 0.000 2.593 292 S HA 0.149 4.619 4.470 -0.000 0.000 0.269 292 S C -0.007 174.571 174.600 -0.036 0.000 1.334 292 S CA -0.491 57.669 58.200 -0.067 0.000 1.015 292 S CB 0.576 63.722 63.200 -0.089 0.000 0.912 292 S HN 0.474 nan 8.310 nan 0.000 0.541 293 K N 1.099 121.483 120.400 -0.027 0.000 2.166 293 K HA 0.635 4.955 4.320 -0.000 0.000 0.245 293 K C -3.074 173.532 176.600 0.010 0.000 0.967 293 K CA -2.054 54.229 56.287 -0.007 0.000 0.863 293 K CB 0.688 33.185 32.500 -0.005 0.000 1.107 293 K HN 0.195 nan 8.250 nan 0.000 0.436 294 P HA 0.189 nan 4.420 nan 0.000 0.276 294 P C -0.392 176.941 177.300 0.054 0.000 1.252 294 P CA -0.454 62.668 63.100 0.035 0.000 0.802 294 P CB 0.461 32.177 31.700 0.027 0.000 1.035 295 I N 2.585 123.206 120.570 0.084 0.000 2.533 295 I HA 0.120 4.290 4.170 -0.000 0.000 0.284 295 I C -1.428 174.731 176.117 0.071 0.000 1.109 295 I CA -1.505 59.852 61.300 0.095 0.000 1.412 295 I CB 0.088 38.180 38.000 0.153 0.000 1.396 295 I HN 0.267 nan 8.210 nan 0.000 0.543 296 P HA 0.416 nan 4.420 nan 0.000 0.276 296 P C 0.109 177.431 177.300 0.036 0.000 1.252 296 P CA 0.188 63.311 63.100 0.038 0.000 0.802 296 P CB 1.097 32.813 31.700 0.027 0.000 1.035 297 G N 1.537 110.352 108.800 0.025 0.000 2.627 297 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.214 297 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.214 297 G C -0.203 174.711 174.900 0.023 0.000 1.331 297 G CA 0.070 45.180 45.100 0.017 0.000 0.891 297 G HN 0.868 nan 8.290 nan 0.000 0.539 298 N N -0.596 118.112 118.700 0.013 0.000 2.377 298 N HA 0.268 5.008 4.740 -0.000 0.000 0.259 298 N C 0.360 175.879 175.510 0.015 0.000 1.332 298 N CA -0.200 52.861 53.050 0.018 0.000 0.877 298 N CB -0.058 38.436 38.487 0.011 0.000 1.299 298 N HN 0.698 nan 8.380 nan 0.000 0.501 299 L N 0.681 121.910 121.223 0.009 0.000 2.453 299 L HA 0.459 4.799 4.340 -0.000 0.000 0.261 299 L C -1.547 175.369 176.870 0.078 0.000 1.179 299 L CA -1.673 53.163 54.840 -0.007 0.000 0.813 299 L CB -0.112 41.884 42.059 -0.105 0.000 1.110 299 L HN -0.043 nan 8.230 nan 0.000 0.466 300 P HA -0.063 nan 4.420 nan 0.000 0.269 300 P C 0.309 177.760 177.300 0.252 0.000 1.217 300 P CA -0.182 63.017 63.100 0.165 0.000 0.783 300 P CB 0.410 32.201 31.700 0.151 0.000 0.898 301 F N 1.016 121.019 119.950 0.088 0.000 2.134 301 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 301 F C 0.553 176.366 175.800 0.022 0.000 1.097 301 F CA 1.366 59.403 58.000 0.061 0.000 1.264 301 F CB -0.004 38.998 39.000 0.004 0.000 1.001 301 F HN 0.143 nan 8.300 nan 0.000 0.479 302 S N -0.202 115.360 115.700 -0.231 0.000 2.532 302 S HA 0.629 5.099 4.470 -0.000 0.000 0.301 302 S C -1.149 173.316 174.600 -0.225 0.000 1.083 302 S CA -0.331 57.578 58.200 -0.485 0.000 1.025 302 S CB 1.935 64.916 63.200 -0.366 0.000 1.056 302 S HN 0.236 nan 8.310 nan 0.000 0.494 303 F N -0.929 118.888 119.950 -0.222 0.000 2.713 303 F HA 0.721 5.248 4.527 -0.000 0.000 0.311 303 F C -1.748 173.935 175.800 -0.195 0.000 1.141 303 F CA -1.703 56.182 58.000 -0.191 0.000 0.939 303 F CB 0.362 39.314 39.000 -0.081 0.000 1.325 303 F HN 0.321 nan 8.300 nan 0.000 0.453 304 F N 1.892 122.006 119.950 0.274 0.000 2.396 304 F HA 0.608 5.135 4.527 -0.000 0.000 0.343 304 F C -2.123 173.867 175.800 0.316 0.000 1.104 304 F CA -2.587 55.529 58.000 0.193 0.000 1.161 304 F CB 0.577 39.653 39.000 0.127 0.000 1.146 304 F HN 0.157 nan 8.300 nan 0.000 0.522 305 P HA 0.092 nan 4.420 nan 0.000 0.268 305 P C -0.846 176.578 177.300 0.208 0.000 1.208 305 P CA -0.251 63.044 63.100 0.325 0.000 0.777 305 P CB 0.437 32.267 31.700 0.217 0.000 0.875 306 A N 2.297 125.193 122.820 0.127 0.000 2.561 306 A HA 0.375 4.695 4.320 -0.000 0.000 0.234 306 A C 1.565 179.183 177.584 0.057 0.000 1.055 306 A CA 0.914 52.996 52.037 0.075 0.000 0.756 306 A CB -1.488 17.535 19.000 0.037 0.000 0.986 306 A HN 0.894 nan 8.150 nan 0.000 0.505 307 G N 0.868 109.688 108.800 0.034 0.000 2.176 307 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.253 307 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.253 307 G C 0.141 175.024 174.900 -0.028 0.000 0.979 307 G CA 0.652 45.754 45.100 0.003 0.000 0.641 307 G HN 0.788 nan 8.290 nan 0.000 0.530 308 K N 0.857 121.240 120.400 -0.029 0.000 2.316 308 K HA 0.773 5.093 4.320 -0.000 0.000 0.251 308 K C 0.312 176.719 176.600 -0.321 0.000 0.934 308 K CA 0.207 56.403 56.287 -0.153 0.000 0.802 308 K CB 2.068 34.501 32.500 -0.112 0.000 1.171 308 K HN 0.554 nan 8.250 nan 0.000 0.426 309 T N -2.480 111.754 114.554 -0.533 0.000 2.742 309 T HA 0.321 4.671 4.350 -0.000 0.000 0.282 309 T C 1.141 175.264 174.700 -0.963 0.000 1.025 309 T CA -0.737 60.958 62.100 -0.676 0.000 1.020 309 T CB 0.605 69.322 68.868 -0.252 0.000 1.317 309 T HN 0.294 nan 8.240 nan 0.000 0.538 310 I N 1.325 121.552 120.570 -0.571 0.000 2.335 310 I HA -0.078 4.092 4.170 -0.000 0.000 0.251 310 I C 2.435 178.404 176.117 -0.246 0.000 1.129 310 I CA 1.938 63.071 61.300 -0.277 0.000 1.402 310 I CB -0.540 37.495 38.000 0.059 0.000 1.069 310 I HN 0.853 nan 8.210 nan 0.000 0.424 311 K N -0.543 119.732 120.400 -0.209 0.000 2.280 311 K HA -0.152 4.168 4.320 -0.000 0.000 0.202 311 K C 1.104 177.594 176.600 -0.183 0.000 1.047 311 K CA 1.778 57.973 56.287 -0.154 0.000 0.942 311 K CB -0.437 31.994 32.500 -0.116 0.000 0.739 311 K HN 0.338 nan 8.250 nan 0.000 0.457 312 D N 1.123 121.364 120.400 -0.265 0.000 2.340 312 D HA 0.026 4.666 4.640 -0.000 0.000 0.220 312 D C -0.149 176.011 176.300 -0.233 0.000 1.039 312 D CA 0.191 54.054 54.000 -0.228 0.000 0.866 312 D CB 0.442 41.096 40.800 -0.243 0.000 0.913 312 D HN 0.017 nan 8.370 nan 0.000 0.523 313 V N 1.716 121.458 119.914 -0.287 0.000 2.498 313 V HA 0.058 4.178 4.120 -0.000 0.000 0.279 313 V C 0.531 176.499 176.094 -0.210 0.000 1.048 313 V CA -0.329 61.777 62.300 -0.323 0.000 0.967 313 V CB 1.473 32.965 31.823 -0.552 0.000 0.988 313 V HN -0.059 nan 8.190 nan 0.000 0.473 314 E N 3.507 123.606 120.200 -0.169 0.000 1.993 314 E HA 0.222 4.572 4.350 -0.000 0.000 0.271 314 E C -0.331 176.216 176.600 -0.088 0.000 1.008 314 E CA -0.462 55.873 56.400 -0.110 0.000 0.814 314 E CB 0.918 30.561 29.700 -0.095 0.000 1.098 314 E HN 0.591 nan 8.360 nan 0.000 0.407 315 Q N 2.108 121.874 119.800 -0.056 0.000 2.255 315 Q HA 0.067 4.407 4.340 -0.000 0.000 0.280 315 Q C -0.053 175.952 176.000 0.007 0.000 1.068 315 Q CA 0.353 56.163 55.803 0.011 0.000 0.911 315 Q CB 1.009 29.766 28.738 0.032 0.000 1.157 315 Q HN 0.617 nan 8.270 nan 0.000 0.380 316 A N 3.507 126.344 122.820 0.028 0.000 2.312 316 A HA 0.152 4.472 4.320 -0.000 0.000 0.215 316 A C 0.103 177.700 177.584 0.022 0.000 1.256 316 A CA 0.032 52.067 52.037 -0.003 0.000 0.966 316 A CB 0.102 19.072 19.000 -0.050 0.000 1.053 316 A HN 0.735 nan 8.150 nan 0.000 0.510 317 c N 1.390 120.026 118.600 0.060 0.000 2.373 317 c HA 0.625 5.195 4.570 -0.000 0.000 0.354 317 c C 1.779 175.893 174.090 0.039 0.000 1.249 317 c CA 0.008 56.368 56.329 0.052 0.000 1.784 317 c CB -0.290 42.260 42.510 0.067 0.000 2.408 317 c HN 0.583 nan 8.230 nan 0.000 0.542 318 A N 3.818 126.652 122.820 0.022 0.000 2.119 318 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 318 A C 1.925 179.518 177.584 0.014 0.000 1.152 318 A CA 1.075 53.122 52.037 0.017 0.000 0.708 318 A CB -0.191 18.814 19.000 0.009 0.000 0.805 318 A HN 0.944 nan 8.150 nan 0.000 0.460 319 E N -0.811 119.396 120.200 0.012 0.000 2.190 319 E HA 0.037 4.387 4.350 -0.000 0.000 0.191 319 E C -0.316 176.286 176.600 0.003 0.000 0.978 319 E CA 0.792 57.194 56.400 0.004 0.000 0.839 319 E CB 0.201 29.898 29.700 -0.004 0.000 0.787 319 E HN 0.363 nan 8.360 nan 0.000 0.473 320 T N 2.635 117.194 114.554 0.009 0.000 2.991 320 T HA 0.247 4.597 4.350 -0.000 0.000 0.303 320 T C -2.770 171.949 174.700 0.032 0.000 1.015 320 T CA -1.473 60.630 62.100 0.005 0.000 1.007 320 T CB 2.229 71.083 68.868 -0.022 0.000 1.034 320 T HN -0.103 nan 8.240 nan 0.000 0.446 321 P HA 0.212 nan 4.420 nan 0.000 0.271 321 P C -0.259 177.115 177.300 0.123 0.000 1.216 321 P CA -0.560 62.595 63.100 0.092 0.000 0.776 321 P CB 0.459 32.206 31.700 0.077 0.000 0.881 322 F N 4.917 124.893 119.950 0.043 0.000 2.602 322 F HA 0.121 4.648 4.527 -0.000 0.000 0.367 322 F C -1.511 174.323 175.800 0.056 0.000 1.126 322 F CA -1.196 56.839 58.000 0.058 0.000 1.321 322 F CB -0.166 38.893 39.000 0.098 0.000 1.094 322 F HN 0.265 nan 8.300 nan 0.000 0.594 323 P HA 0.073 nan 4.420 nan 0.000 0.271 323 P C -1.011 176.360 177.300 0.117 0.000 1.218 323 P CA -0.331 62.710 63.100 -0.098 0.000 0.780 323 P CB 0.319 31.869 31.700 -0.250 0.000 0.901 324 T N 1.463 116.091 114.554 0.124 0.000 2.727 324 T HA 0.450 4.800 4.350 -0.000 0.000 0.295 324 T C 0.400 175.163 174.700 0.105 0.000 0.915 324 T CA -0.576 61.641 62.100 0.194 0.000 1.066 324 T CB -0.342 68.615 68.868 0.149 0.000 0.891 324 T HN 0.166 nan 8.240 nan 0.000 0.516 325 L N 3.011 124.275 121.223 0.068 0.000 2.365 325 L HA 0.586 4.926 4.340 -0.000 0.000 0.267 325 L C 1.261 178.187 176.870 0.093 0.000 1.033 325 L CA -1.288 53.493 54.840 -0.099 0.000 0.802 325 L CB 1.469 43.161 42.059 -0.611 0.000 1.267 325 L HN 0.763 nan 8.230 nan 0.000 0.457 326 T N -2.480 112.127 114.554 0.089 0.000 2.904 326 T HA 0.301 4.651 4.350 -0.000 0.000 0.290 326 T C -0.017 174.831 174.700 0.246 0.000 1.018 326 T CA -0.561 61.634 62.100 0.159 0.000 1.075 326 T CB 1.123 70.054 68.868 0.105 0.000 0.986 326 T HN 0.490 nan 8.240 nan 0.000 0.523 327 T N 2.954 117.654 114.554 0.244 0.000 2.824 327 T HA 0.462 4.812 4.350 -0.000 0.000 0.280 327 T C 0.368 175.148 174.700 0.134 0.000 0.995 327 T CA -0.684 61.573 62.100 0.262 0.000 1.009 327 T CB 0.534 69.527 68.868 0.210 0.000 0.955 327 T HN 0.498 nan 8.240 nan 0.000 0.452 328 L N 5.446 126.729 121.223 0.101 0.000 2.461 328 L HA 0.273 4.613 4.340 -0.000 0.000 0.272 328 L C -1.523 175.355 176.870 0.013 0.000 1.197 328 L CA -1.658 53.174 54.840 -0.012 0.000 0.836 328 L CB 0.024 42.028 42.059 -0.092 0.000 1.105 328 L HN 0.383 nan 8.230 nan 0.000 0.477 329 P HA 0.305 nan 4.420 nan 0.000 0.274 329 P C 0.036 177.335 177.300 -0.001 0.000 1.231 329 P CA 0.233 63.332 63.100 -0.001 0.000 0.790 329 P CB 1.441 33.134 31.700 -0.010 0.000 0.951 330 G N 1.985 110.787 108.800 0.003 0.000 2.610 330 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.304 330 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.304 330 G C -2.965 171.938 174.900 0.005 0.000 1.309 330 G CA -0.699 44.402 45.100 0.002 0.000 0.906 330 G HN 0.632 nan 8.290 nan 0.000 0.521 331 P HA 0.360 nan 4.420 nan 0.000 0.276 331 P C -0.032 177.274 177.300 0.009 0.000 1.244 331 P CA -0.351 62.751 63.100 0.004 0.000 0.801 331 P CB 0.810 32.511 31.700 0.002 0.000 1.006 332 E N 0.124 120.330 120.200 0.009 0.000 2.452 332 E HA 0.089 4.439 4.350 -0.000 0.000 0.261 332 E C -0.608 176.001 176.600 0.015 0.000 0.987 332 E CA 0.341 56.750 56.400 0.015 0.000 0.926 332 E CB 0.339 30.044 29.700 0.009 0.000 0.934 332 E HN 0.319 nan 8.360 nan 0.000 0.452 333 T N 2.242 116.809 114.554 0.021 0.000 2.907 333 T HA 0.348 4.698 4.350 -0.000 0.000 0.292 333 T C -0.890 173.823 174.700 0.022 0.000 1.043 333 T CA -0.674 61.437 62.100 0.018 0.000 1.003 333 T CB 1.109 69.987 68.868 0.016 0.000 1.084 333 T HN 0.507 nan 8.240 nan 0.000 0.483 334 S N 1.945 117.655 115.700 0.017 0.000 2.584 334 S HA 0.516 4.986 4.470 -0.000 0.000 0.273 334 S C 0.108 174.721 174.600 0.021 0.000 1.311 334 S CA -0.862 57.349 58.200 0.018 0.000 1.034 334 S CB 0.923 64.131 63.200 0.014 0.000 0.939 334 S HN 0.581 nan 8.310 nan 0.000 0.513 335 V N 3.345 123.273 119.914 0.024 0.000 2.572 335 V HA 0.105 4.225 4.120 -0.000 0.000 0.291 335 V C 0.501 176.605 176.094 0.016 0.000 1.039 335 V CA -0.281 62.034 62.300 0.025 0.000 1.055 335 V CB 0.517 32.355 31.823 0.026 0.000 0.969 335 V HN 0.768 nan 8.190 nan 0.000 0.482 336 Q N 4.328 124.138 119.800 0.017 0.000 2.327 336 Q HA 0.248 4.588 4.340 -0.000 0.000 0.254 336 Q C 0.387 176.392 176.000 0.009 0.000 0.952 336 Q CA -0.131 55.679 55.803 0.011 0.000 0.884 336 Q CB 0.881 29.627 28.738 0.012 0.000 1.224 336 Q HN 0.802 nan 8.270 nan 0.000 0.422 337 R N 1.253 121.755 120.500 0.004 0.000 2.615 337 R HA 0.446 4.786 4.340 -0.000 0.000 0.270 337 R C -0.211 176.094 176.300 0.008 0.000 1.081 337 R CA -0.312 55.788 56.100 -0.001 0.000 1.154 337 R CB 0.324 30.621 30.300 -0.005 0.000 1.063 337 R HN 0.475 nan 8.270 nan 0.000 0.519 338 I N 2.051 122.629 120.570 0.012 0.000 2.460 338 I HA 0.256 4.426 4.170 -0.000 0.000 0.277 338 I C -2.213 173.915 176.117 0.018 0.000 1.057 338 I CA -2.631 58.685 61.300 0.027 0.000 1.179 338 I CB 1.630 39.675 38.000 0.074 0.000 1.329 338 I HN 0.359 nan 8.210 nan 0.000 0.478 339 P HA 0.141 nan 4.420 nan 0.000 0.267 339 P C -2.325 174.981 177.300 0.010 0.000 1.205 339 P CA -0.701 62.401 63.100 0.004 0.000 0.765 339 P CB -0.022 31.676 31.700 -0.004 0.000 0.828 340 P HA 0.418 nan 4.420 nan 0.000 0.281 340 P C -2.630 174.690 177.300 0.033 0.000 1.264 340 P CA -2.134 60.985 63.100 0.032 0.000 0.824 340 P CB -0.343 31.377 31.700 0.034 0.000 1.092 341 P HA 0.231 nan 4.420 nan 0.000 0.271 341 P C -2.333 174.992 177.300 0.042 0.000 1.244 341 P CA -1.008 62.125 63.100 0.054 0.000 0.793 341 P CB -1.508 30.240 31.700 0.081 0.000 0.984 342 P HA 0.094 nan 4.420 nan 0.000 0.266 342 P C 0.901 178.219 177.300 0.030 0.000 1.195 342 P CA 0.951 64.069 63.100 0.029 0.000 0.768 342 P CB 0.053 31.769 31.700 0.026 0.000 0.838 343 G N 0.474 109.289 108.800 0.025 0.000 2.176 343 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.253 343 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.253 343 G C 0.499 175.415 174.900 0.026 0.000 0.979 343 G CA 0.136 45.252 45.100 0.025 0.000 0.641 343 G HN 0.859 nan 8.290 nan 0.000 0.530 344 A N 0.000 122.837 122.820 0.028 0.000 2.254 344 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 344 A CA 0.000 52.053 52.037 0.027 0.000 0.836 344 A CB 0.000 19.018 19.000 0.031 0.000 0.831 344 A HN 0.000 nan 8.150 nan 0.000 0.486