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 3g17_1_G DATA FIRST_RESID 3 DATA SEQUENCE LSVAIIGPGA VGTTIAYELQ QSLPHTTLIG RHAKTITYYT VPHAPAQDIV DATA SEQUENCE VKGYEDVTNT FDVIIIAVKT HQLDAVIPHL TYLAHEDTLI ILAQNGYGQL DATA SEQUENCE EHIPFKNVCQ AVVYISGQKK GDVVTHFRDY QLRIQDNALT RQFRDLVQDS DATA SEQUENCE QIDIVLEANI QQAIWYKLLV NLGINSITAL GRQTVAIMHN PEIRILCRQL DATA SEQUENCE LLDGCRVAQA EGLNFSEQTV DTIMTIYQGY PDEMGTSMYY DIVHQQPLEV DATA SEQUENCE EAIQGFIYRR AREHNLDTPY LDTIYSFLRA YQQNEGHHHH 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 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.956 176.870 0.144 0.000 1.165 3 L CA 0.000 54.906 54.840 0.110 0.000 0.813 3 L CB 0.000 42.122 42.059 0.105 0.000 0.961 4 S N 2.864 118.669 115.700 0.176 0.000 2.562 4 S HA 0.918 5.386 4.470 -0.004 0.000 0.275 4 S C -0.427 174.360 174.600 0.311 0.000 1.281 4 S CA -0.668 57.685 58.200 0.254 0.000 1.045 4 S CB 1.884 65.223 63.200 0.232 0.000 0.962 4 S HN 0.404 nan 8.310 nan 0.000 0.503 5 V N 1.384 121.476 119.914 0.297 0.000 2.638 5 V HA 0.833 4.951 4.120 -0.004 0.000 0.306 5 V C -0.032 175.996 176.094 -0.110 0.000 1.052 5 V CA -0.635 61.743 62.300 0.130 0.000 0.885 5 V CB 1.472 33.369 31.823 0.123 0.000 0.999 5 V HN 1.263 nan 8.190 nan 0.000 0.424 6 A N 4.670 127.238 122.820 -0.419 0.000 2.386 6 A HA 0.961 5.279 4.320 -0.004 0.000 0.311 6 A C -1.289 176.071 177.584 -0.373 0.000 1.068 6 A CA -0.518 51.096 52.037 -0.704 0.000 0.743 6 A CB 1.304 19.367 19.000 -1.561 0.000 1.258 6 A HN 0.653 nan 8.150 nan 0.000 0.429 7 I N 1.975 122.371 120.570 -0.290 0.000 2.378 7 I HA 0.389 4.557 4.170 -0.004 0.000 0.291 7 I C -0.367 175.630 176.117 -0.200 0.000 0.992 7 I CA -0.035 61.147 61.300 -0.195 0.000 1.154 7 I CB 1.514 39.431 38.000 -0.138 0.000 1.315 7 I HN 0.489 nan 8.210 nan 0.000 0.448 8 I N 5.646 126.122 120.570 -0.156 0.000 2.339 8 I HA 0.641 4.808 4.170 -0.004 0.000 0.290 8 I C 0.303 176.362 176.117 -0.097 0.000 0.994 8 I CA -0.374 60.851 61.300 -0.125 0.000 1.191 8 I CB 1.365 39.347 38.000 -0.031 0.000 1.343 8 I HN 0.779 nan 8.210 nan 0.000 0.458 9 G N 7.503 116.231 108.800 -0.120 0.000 2.551 9 G HA2 -0.052 3.905 3.960 -0.004 0.000 0.604 9 G HA3 -0.052 3.905 3.960 -0.004 0.000 0.604 9 G C -2.761 172.085 174.900 -0.090 0.000 1.116 9 G CA -0.961 44.086 45.100 -0.089 0.000 1.285 9 G HN 0.429 nan 8.290 nan 0.000 0.586 10 P HA 0.283 nan 4.420 nan 0.000 0.220 10 P C 1.222 178.492 177.300 -0.050 0.000 1.778 10 P CA 0.744 63.796 63.100 -0.080 0.000 0.912 10 P CB 0.382 32.028 31.700 -0.089 0.000 1.861 11 G N 0.499 109.275 108.800 -0.041 0.000 2.494 11 G HA2 0.350 4.307 3.960 -0.004 0.000 0.270 11 G HA3 0.350 4.307 3.960 -0.004 0.000 0.270 11 G C 1.191 176.081 174.900 -0.017 0.000 1.423 11 G CA 0.094 45.180 45.100 -0.024 0.000 1.055 11 G HN 0.173 nan 8.290 nan 0.000 0.536 12 A N -1.422 121.389 122.820 -0.014 0.000 1.858 12 A HA -0.018 4.300 4.320 -0.004 0.000 0.216 12 A C 2.573 180.168 177.584 0.017 0.000 1.190 12 A CA 2.291 54.324 52.037 -0.007 0.000 0.617 12 A CB -0.955 18.014 19.000 -0.051 0.000 0.827 12 A HN 0.516 nan 8.150 nan 0.000 0.443 13 V N -0.071 119.845 119.914 0.004 0.000 2.295 13 V HA -0.182 3.936 4.120 -0.004 0.000 0.246 13 V C 2.808 178.896 176.094 -0.010 0.000 1.049 13 V CA 2.084 64.388 62.300 0.007 0.000 1.024 13 V CB -1.490 30.331 31.823 -0.004 0.000 0.648 13 V HN 0.633 nan 8.190 nan 0.000 0.447 14 G N -0.748 108.033 108.800 -0.030 0.000 2.408 14 G HA2 -0.193 3.764 3.960 -0.004 0.000 0.217 14 G HA3 -0.193 3.764 3.960 -0.004 0.000 0.217 14 G C 1.680 176.535 174.900 -0.074 0.000 1.150 14 G CA 1.394 46.462 45.100 -0.053 0.000 0.776 14 G HN 0.480 nan 8.290 nan 0.000 0.542 15 T N 0.909 115.416 114.554 -0.077 0.000 2.737 15 T HA -0.093 4.255 4.350 -0.004 0.000 0.265 15 T C 2.653 177.190 174.700 -0.273 0.000 1.038 15 T CA 1.696 63.709 62.100 -0.145 0.000 1.144 15 T CB -0.523 68.298 68.868 -0.079 0.000 0.866 15 T HN 0.251 nan 8.240 nan 0.000 0.434 16 T N 2.324 116.785 114.554 -0.156 0.000 2.684 16 T HA -0.037 4.311 4.350 -0.004 0.000 0.267 16 T C 1.980 176.645 174.700 -0.059 0.000 1.036 16 T CA 1.108 63.132 62.100 -0.126 0.000 1.148 16 T CB -0.483 68.399 68.868 0.024 0.000 0.863 16 T HN 0.304 nan 8.240 nan 0.000 0.436 17 I N 1.133 121.687 120.570 -0.026 0.000 2.179 17 I HA -0.198 3.969 4.170 -0.004 0.000 0.242 17 I C 2.912 179.001 176.117 -0.046 0.000 1.088 17 I CA 1.163 62.462 61.300 -0.002 0.000 1.357 17 I CB -0.513 37.493 38.000 0.010 0.000 1.051 17 I HN 0.203 nan 8.210 nan 0.000 0.409 18 A N 0.319 123.089 122.820 -0.083 0.000 1.865 18 A HA -0.305 4.013 4.320 -0.004 0.000 0.217 18 A C 2.319 179.831 177.584 -0.121 0.000 1.191 18 A CA 1.868 53.845 52.037 -0.100 0.000 0.623 18 A CB -1.199 17.734 19.000 -0.111 0.000 0.826 18 A HN 0.540 nan 8.150 nan 0.000 0.444 19 Y N 0.691 120.815 120.300 -0.294 0.000 2.128 19 Y HA -0.219 4.329 4.550 -0.004 0.000 0.284 19 Y C 2.380 178.166 175.900 -0.191 0.000 1.154 19 Y CA 2.260 60.172 58.100 -0.313 0.000 1.149 19 Y CB -0.128 37.948 38.460 -0.640 0.000 0.976 19 Y HN 0.311 nan 8.280 nan 0.000 0.505 20 E N 0.644 120.737 120.200 -0.177 0.000 2.038 20 E HA -0.212 4.136 4.350 -0.004 0.000 0.195 20 E C 2.377 178.828 176.600 -0.247 0.000 1.000 20 E CA 1.587 57.855 56.400 -0.221 0.000 0.803 20 E CB -0.695 28.949 29.700 -0.094 0.000 0.750 20 E HN 0.559 nan 8.360 nan 0.000 0.448 21 L N 0.523 121.644 121.223 -0.169 0.000 2.131 21 L HA -0.195 4.142 4.340 -0.004 0.000 0.210 21 L C 2.462 179.230 176.870 -0.171 0.000 1.092 21 L CA 1.110 55.865 54.840 -0.142 0.000 0.759 21 L CB -0.400 41.614 42.059 -0.074 0.000 0.903 21 L HN 0.182 nan 8.230 nan 0.000 0.435 22 Q N -0.673 118.995 119.800 -0.221 0.000 2.369 22 Q HA -0.153 4.184 4.340 -0.004 0.000 0.206 22 Q C 1.968 177.816 176.000 -0.254 0.000 0.963 22 Q CA 0.650 56.325 55.803 -0.214 0.000 0.894 22 Q CB 0.211 28.826 28.738 -0.205 0.000 0.965 22 Q HN 0.457 nan 8.270 nan 0.000 0.475 23 Q N -0.984 118.619 119.800 -0.327 0.000 2.436 23 Q HA -0.046 4.292 4.340 -0.004 0.000 0.209 23 Q C 1.625 177.511 176.000 -0.190 0.000 0.965 23 Q CA 1.234 56.867 55.803 -0.283 0.000 0.910 23 Q CB 0.504 29.048 28.738 -0.323 0.000 0.980 23 Q HN 0.329 nan 8.270 nan 0.000 0.491 24 S N -1.703 113.892 115.700 -0.174 0.000 2.651 24 S HA 0.205 4.673 4.470 -0.004 0.000 0.259 24 S C 0.313 174.831 174.600 -0.136 0.000 1.073 24 S CA -0.442 57.673 58.200 -0.141 0.000 1.090 24 S CB 0.406 63.526 63.200 -0.132 0.000 1.042 24 S HN 0.144 nan 8.310 nan 0.000 0.581 25 L N 2.124 123.263 121.223 -0.141 0.000 2.470 25 L HA 0.525 4.862 4.340 -0.004 0.000 0.253 25 L C -2.539 174.242 176.870 -0.149 0.000 1.163 25 L CA -1.652 53.106 54.840 -0.137 0.000 0.932 25 L CB 1.933 43.944 42.059 -0.081 0.000 1.213 25 L HN -0.034 nan 8.230 nan 0.000 0.485 26 P HA -0.058 nan 4.420 nan 0.000 0.237 26 P C 0.910 178.182 177.300 -0.046 0.000 1.178 26 P CA 0.828 63.834 63.100 -0.157 0.000 0.766 26 P CB 0.055 31.655 31.700 -0.166 0.000 0.876 27 H N -1.401 117.671 119.070 0.003 0.000 2.556 27 H HA 0.121 4.675 4.556 -0.004 0.000 0.268 27 H C 0.347 175.712 175.328 0.062 0.000 0.996 27 H CA 0.313 56.382 56.048 0.036 0.000 1.157 27 H CB -1.238 28.553 29.762 0.049 0.000 1.355 27 H HN 0.057 nan 8.280 nan 0.000 0.597 28 T N 1.771 116.392 114.554 0.111 0.000 2.928 28 T HA 0.127 4.475 4.350 -0.004 0.000 0.305 28 T C 0.568 175.284 174.700 0.026 0.000 1.035 28 T CA 0.446 62.581 62.100 0.058 0.000 1.145 28 T CB 0.652 69.514 68.868 -0.010 0.000 0.963 28 T HN 0.158 nan 8.240 nan 0.000 0.545 29 T N 3.917 118.451 114.554 -0.035 0.000 2.812 29 T HA 0.450 4.797 4.350 -0.004 0.000 0.282 29 T C -0.668 173.930 174.700 -0.170 0.000 0.990 29 T CA -0.689 61.370 62.100 -0.069 0.000 0.960 29 T CB 1.185 70.053 68.868 0.000 0.000 0.948 29 T HN 0.324 nan 8.240 nan 0.000 0.438 30 L N 5.260 126.407 121.223 -0.127 0.000 2.264 30 L HA 0.642 4.979 4.340 -0.004 0.000 0.289 30 L C -1.065 175.702 176.870 -0.171 0.000 1.044 30 L CA -0.399 54.351 54.840 -0.150 0.000 0.807 30 L CB 0.046 42.036 42.059 -0.116 0.000 1.192 30 L HN 0.605 nan 8.230 nan 0.000 0.425 31 I N 4.594 125.027 120.570 -0.229 0.000 2.569 31 I HA 0.797 4.965 4.170 -0.004 0.000 0.296 31 I C 0.447 176.304 176.117 -0.434 0.000 1.028 31 I CA -0.465 60.645 61.300 -0.316 0.000 1.082 31 I CB 1.953 39.764 38.000 -0.316 0.000 1.264 31 I HN 0.719 nan 8.210 nan 0.000 0.429 32 G N 3.650 112.103 108.800 -0.579 0.000 2.870 32 G HA2 0.385 4.343 3.960 -0.004 0.000 0.299 32 G HA3 0.385 4.343 3.960 -0.004 0.000 0.299 32 G C 0.200 174.574 174.900 -0.877 0.000 1.324 32 G CA -0.595 44.127 45.100 -0.628 0.000 0.808 32 G HN 0.529 nan 8.290 nan 0.000 0.535 33 R N -0.787 119.389 120.500 -0.540 0.000 2.083 33 R HA -0.015 4.322 4.340 -0.004 0.000 0.237 33 R C 0.166 176.058 176.300 -0.680 0.000 1.137 33 R CA 1.214 57.000 56.100 -0.523 0.000 0.951 33 R CB -0.245 29.731 30.300 -0.540 0.000 0.851 33 R HN 0.510 nan 8.270 nan 0.000 0.434 34 H N -1.827 117.181 119.070 -0.103 0.000 2.895 34 H HA 0.375 4.930 4.556 -0.002 0.000 0.373 34 H C -0.724 174.555 175.328 -0.082 0.000 1.174 34 H CA -0.999 55.011 56.048 -0.063 0.000 1.144 34 H CB 1.496 31.242 29.762 -0.027 0.000 1.793 34 H HN 0.155 nan 8.280 nan 0.000 0.551 35 A N 2.307 125.167 122.820 0.066 0.000 2.561 35 A HA 0.367 4.685 4.320 -0.004 0.000 0.234 35 A C 0.395 177.990 177.584 0.019 0.000 1.055 35 A CA 0.476 52.522 52.037 0.015 0.000 0.756 35 A CB -0.161 18.848 19.000 0.015 0.000 0.986 35 A HN 0.813 nan 8.150 nan 0.000 0.505 36 K N -0.277 120.120 120.400 -0.005 0.000 2.809 36 K HA 0.519 4.836 4.320 -0.004 0.000 0.293 36 K C -1.442 175.149 176.600 -0.014 0.000 1.061 36 K CA -0.840 55.443 56.287 -0.005 0.000 0.837 36 K CB 0.618 33.119 32.500 0.001 0.000 1.524 36 K HN 0.362 nan 8.250 nan 0.000 0.370 37 T N 1.582 116.129 114.554 -0.012 0.000 2.786 37 T HA 0.461 4.808 4.350 -0.004 0.000 0.283 37 T C -0.022 174.669 174.700 -0.015 0.000 0.992 37 T CA -0.677 61.415 62.100 -0.014 0.000 0.954 37 T CB 0.417 69.278 68.868 -0.011 0.000 0.934 37 T HN 0.364 nan 8.240 nan 0.000 0.440 38 I N 2.678 123.238 120.570 -0.016 0.000 2.440 38 I HA 0.249 4.417 4.170 -0.004 0.000 0.294 38 I C 0.577 176.686 176.117 -0.014 0.000 0.995 38 I CA -0.568 60.725 61.300 -0.011 0.000 1.306 38 I CB 1.358 39.353 38.000 -0.007 0.000 1.407 38 I HN 0.508 nan 8.210 nan 0.000 0.501 39 T N 5.484 120.022 114.554 -0.026 0.000 2.771 39 T HA 0.269 4.617 4.350 -0.004 0.000 0.291 39 T C -0.834 173.811 174.700 -0.091 0.000 0.954 39 T CA -0.114 61.932 62.100 -0.090 0.000 1.045 39 T CB 0.381 69.180 68.868 -0.115 0.000 0.917 39 T HN 0.291 nan 8.240 nan 0.000 0.484 40 Y N 3.092 123.192 120.300 -0.334 0.000 2.376 40 Y HA 0.514 5.062 4.550 -0.004 0.000 0.340 40 Y C -1.648 173.950 175.900 -0.503 0.000 0.965 40 Y CA -1.737 56.165 58.100 -0.330 0.000 1.078 40 Y CB 1.062 39.331 38.460 -0.319 0.000 1.193 40 Y HN 0.618 nan 8.280 nan 0.000 0.452 41 Y N 4.251 124.011 120.300 -0.900 0.000 2.334 41 Y HA 0.182 4.729 4.550 -0.004 0.000 0.336 41 Y C 1.592 176.916 175.900 -0.960 0.000 0.960 41 Y CA -0.195 57.478 58.100 -0.712 0.000 1.164 41 Y CB 1.824 40.049 38.460 -0.391 0.000 1.155 41 Y HN 0.783 nan 8.280 nan 0.000 0.478 42 T N -0.782 113.477 114.554 -0.491 0.000 2.737 42 T HA -0.084 4.264 4.350 -0.004 0.000 0.269 42 T C 0.551 175.338 174.700 0.145 0.000 1.040 42 T CA 1.155 63.208 62.100 -0.077 0.000 1.142 42 T CB -0.262 68.691 68.868 0.142 0.000 0.861 42 T HN 0.313 nan 8.240 nan 0.000 0.456 43 V N 1.423 121.376 119.914 0.064 0.000 3.120 43 V HA 0.457 4.574 4.120 -0.004 0.000 0.303 43 V C -2.696 173.386 176.094 -0.019 0.000 1.238 43 V CA -2.406 59.932 62.300 0.064 0.000 1.008 43 V CB 2.547 34.440 31.823 0.117 0.000 1.064 43 V HN 0.057 nan 8.190 nan 0.000 0.434 44 P HA 0.169 nan 4.420 nan 0.000 0.265 44 P C -0.040 177.078 177.300 -0.304 0.000 1.193 44 P CA 0.743 63.649 63.100 -0.324 0.000 0.765 44 P CB 0.033 31.564 31.700 -0.281 0.000 0.823 45 H N -1.579 117.357 119.070 -0.223 0.000 3.395 45 H HA -0.214 4.340 4.556 -0.004 0.000 0.222 45 H C 0.654 175.991 175.328 0.017 0.000 1.099 45 H CA 0.822 56.803 56.048 -0.111 0.000 1.182 45 H CB -2.053 27.670 29.762 -0.065 0.000 1.188 45 H HN 0.601 nan 8.280 nan 0.000 0.317 46 A N 1.673 124.577 122.820 0.140 0.000 2.346 46 A HA 0.427 4.744 4.320 -0.004 0.000 0.255 46 A C -1.617 176.118 177.584 0.253 0.000 1.113 46 A CA -0.670 51.476 52.037 0.182 0.000 0.798 46 A CB 0.067 19.158 19.000 0.152 0.000 1.073 46 A HN 0.055 nan 8.150 nan 0.000 0.502 47 P HA 0.382 nan 4.420 nan 0.000 0.275 47 P C -0.552 176.744 177.300 -0.008 0.000 1.227 47 P CA 0.123 63.291 63.100 0.113 0.000 0.781 47 P CB 0.792 32.530 31.700 0.063 0.000 0.906 48 A N 3.264 126.012 122.820 -0.121 0.000 2.425 48 A HA 0.301 4.618 4.320 -0.004 0.000 0.249 48 A C -0.076 177.336 177.584 -0.286 0.000 1.084 48 A CA 0.055 51.777 52.037 -0.525 0.000 0.781 48 A CB -0.070 18.644 19.000 -0.478 0.000 1.019 48 A HN 0.560 nan 8.150 nan 0.000 0.490 49 Q N 0.671 120.284 119.800 -0.313 0.000 2.413 49 Q HA 0.385 4.723 4.340 -0.004 0.000 0.276 49 Q C -1.641 174.305 176.000 -0.089 0.000 1.099 49 Q CA -0.959 54.770 55.803 -0.124 0.000 0.814 49 Q CB 2.280 30.992 28.738 -0.043 0.000 1.379 49 Q HN 0.702 nan 8.270 nan 0.000 0.436 50 D N 1.816 122.201 120.400 -0.026 0.000 2.193 50 D HA 0.414 5.052 4.640 -0.004 0.000 0.244 50 D C -1.007 175.307 176.300 0.023 0.000 1.064 50 D CA -0.200 53.792 54.000 -0.012 0.000 0.845 50 D CB 1.475 42.268 40.800 -0.011 0.000 1.148 50 D HN 0.389 nan 8.370 nan 0.000 0.464 51 I N 1.897 122.476 120.570 0.015 0.000 2.433 51 I HA 0.252 4.420 4.170 -0.004 0.000 0.292 51 I C -0.765 175.347 176.117 -0.008 0.000 1.001 51 I CA -0.790 60.519 61.300 0.015 0.000 1.119 51 I CB 1.467 39.468 38.000 0.003 0.000 1.289 51 I HN -0.029 nan 8.210 nan 0.000 0.438 52 V N 7.855 127.764 119.914 -0.008 0.000 2.555 52 V HA 0.169 4.287 4.120 -0.004 0.000 0.286 52 V C 0.034 176.108 176.094 -0.033 0.000 1.044 52 V CA -0.103 62.188 62.300 -0.015 0.000 1.026 52 V CB 1.386 33.205 31.823 -0.006 0.000 0.981 52 V HN 0.474 nan 8.190 nan 0.000 0.480 53 V N 6.439 126.328 119.914 -0.041 0.000 2.483 53 V HA 0.441 4.558 4.120 -0.004 0.000 0.295 53 V C 0.109 176.163 176.094 -0.067 0.000 1.035 53 V CA -0.936 61.322 62.300 -0.069 0.000 0.896 53 V CB 1.816 33.591 31.823 -0.079 0.000 0.986 53 V HN 0.808 nan 8.190 nan 0.000 0.447 54 K N 2.452 122.798 120.400 -0.089 0.000 2.156 54 K HA 0.613 4.931 4.320 -0.004 0.000 0.254 54 K C 0.311 176.823 176.600 -0.147 0.000 0.950 54 K CA -0.498 55.743 56.287 -0.077 0.000 0.849 54 K CB 1.953 34.430 32.500 -0.037 0.000 1.100 54 K HN 0.862 nan 8.250 nan 0.000 0.434 55 G N 0.867 109.602 108.800 -0.107 0.000 2.467 55 G HA2 0.043 4.001 3.960 -0.004 0.000 0.257 55 G HA3 0.043 4.001 3.960 -0.004 0.000 0.257 55 G C 0.296 175.119 174.900 -0.128 0.000 1.227 55 G CA -0.177 44.828 45.100 -0.157 0.000 0.835 55 G HN 0.594 nan 8.290 nan 0.000 0.556 56 Y N 0.053 120.264 120.300 -0.147 0.000 2.139 56 Y HA -0.205 4.342 4.550 -0.004 0.000 0.282 56 Y C 2.780 178.650 175.900 -0.050 0.000 1.179 56 Y CA 2.007 60.016 58.100 -0.152 0.000 1.161 56 Y CB -0.007 38.225 38.460 -0.381 0.000 0.970 56 Y HN 0.621 nan 8.280 nan 0.000 0.511 57 E N -0.514 119.764 120.200 0.131 0.000 2.285 57 E HA -0.135 4.213 4.350 -0.004 0.000 0.194 57 E C 1.193 177.827 176.600 0.056 0.000 0.997 57 E CA 0.830 57.278 56.400 0.080 0.000 0.845 57 E CB -0.066 29.676 29.700 0.071 0.000 0.782 57 E HN 0.549 nan 8.360 nan 0.000 0.491 58 D N 0.293 120.723 120.400 0.050 0.000 2.224 58 D HA -0.048 4.589 4.640 -0.004 0.000 0.205 58 D C 0.466 176.797 176.300 0.052 0.000 0.965 58 D CA 0.491 54.514 54.000 0.039 0.000 0.852 58 D CB 0.277 41.091 40.800 0.024 0.000 0.947 58 D HN -0.056 nan 8.370 nan 0.000 0.494 59 V N 1.430 121.393 119.914 0.082 0.000 2.406 59 V HA 0.179 4.297 4.120 -0.004 0.000 0.272 59 V C 1.399 177.555 176.094 0.102 0.000 1.043 59 V CA 0.089 62.458 62.300 0.116 0.000 0.915 59 V CB 1.491 33.436 31.823 0.204 0.000 0.988 59 V HN 0.168 nan 8.190 nan 0.000 0.466 60 T N 0.294 114.883 114.554 0.058 0.000 3.010 60 T HA 0.130 4.478 4.350 -0.004 0.000 0.257 60 T C 0.539 175.246 174.700 0.012 0.000 1.020 60 T CA -0.221 61.904 62.100 0.042 0.000 0.938 60 T CB -0.123 68.759 68.868 0.023 0.000 1.049 60 T HN 0.698 nan 8.240 nan 0.000 0.522 61 N N 1.474 120.137 118.700 -0.062 0.000 2.485 61 N HA 0.405 5.142 4.740 -0.004 0.000 0.280 61 N C -0.508 174.845 175.510 -0.261 0.000 1.205 61 N CA -0.551 52.398 53.050 -0.169 0.000 0.959 61 N CB 1.654 39.978 38.487 -0.272 0.000 1.206 61 N HN 0.269 nan 8.380 nan 0.000 0.545 62 T N -2.401 112.007 114.554 -0.243 0.000 2.944 62 T HA 0.621 4.969 4.350 -0.004 0.000 0.284 62 T C -0.625 173.837 174.700 -0.396 0.000 1.010 62 T CA -0.596 61.415 62.100 -0.149 0.000 1.025 62 T CB 0.591 69.519 68.868 0.100 0.000 1.079 62 T HN 0.401 nan 8.240 nan 0.000 0.516 63 F N -0.065 119.889 119.950 0.007 0.000 2.561 63 F HA 0.406 4.930 4.527 -0.004 0.000 0.321 63 F C 1.092 176.827 175.800 -0.110 0.000 1.065 63 F CA -1.107 56.884 58.000 -0.014 0.000 0.934 63 F CB 1.937 40.914 39.000 -0.039 0.000 1.215 63 F HN 0.575 nan 8.300 nan 0.000 0.471 64 D N 0.666 121.177 120.400 0.185 0.000 2.234 64 D HA 0.042 4.680 4.640 -0.004 0.000 0.205 64 D C 0.040 176.344 176.300 0.007 0.000 0.962 64 D CA 1.294 55.358 54.000 0.108 0.000 0.855 64 D CB 0.566 41.486 40.800 0.201 0.000 0.951 64 D HN 0.031 nan 8.370 nan 0.000 0.500 65 V N 1.351 121.293 119.914 0.045 0.000 2.760 65 V HA 0.408 4.525 4.120 -0.004 0.000 0.309 65 V C -0.439 175.586 176.094 -0.115 0.000 1.077 65 V CA -0.715 61.543 62.300 -0.070 0.000 0.910 65 V CB 2.856 34.649 31.823 -0.050 0.000 1.008 65 V HN -0.106 nan 8.190 nan 0.000 0.424 66 I N 5.264 125.712 120.570 -0.203 0.000 2.500 66 I HA 0.497 4.665 4.170 -0.004 0.000 0.286 66 I C -0.951 175.035 176.117 -0.219 0.000 1.063 66 I CA -0.318 60.852 61.300 -0.218 0.000 1.062 66 I CB 2.116 39.991 38.000 -0.208 0.000 1.223 66 I HN 0.435 nan 8.210 nan 0.000 0.435 67 I N 7.017 127.470 120.570 -0.196 0.000 2.328 67 I HA 0.388 4.556 4.170 -0.004 0.000 0.287 67 I C -0.191 175.849 176.117 -0.128 0.000 1.012 67 I CA -0.364 60.839 61.300 -0.162 0.000 1.195 67 I CB 1.039 38.966 38.000 -0.122 0.000 1.350 67 I HN 0.360 nan 8.210 nan 0.000 0.464 68 I N 6.210 126.714 120.570 -0.109 0.000 2.304 68 I HA 0.394 4.562 4.170 -0.004 0.000 0.291 68 I C 0.509 176.584 176.117 -0.069 0.000 1.018 68 I CA -0.185 61.068 61.300 -0.078 0.000 1.260 68 I CB 1.365 39.329 38.000 -0.059 0.000 1.390 68 I HN 0.642 nan 8.210 nan 0.000 0.475 69 A N 7.447 130.228 122.820 -0.064 0.000 3.248 69 A HA 0.569 4.887 4.320 -0.004 0.000 0.315 69 A C -0.127 177.424 177.584 -0.056 0.000 0.974 69 A CA -0.428 51.573 52.037 -0.059 0.000 0.939 69 A CB 0.080 19.047 19.000 -0.054 0.000 1.061 69 A HN 0.528 nan 8.150 nan 0.000 0.481 70 V N -2.736 117.143 119.914 -0.058 0.000 3.284 70 V HA 0.652 4.769 4.120 -0.004 0.000 0.309 70 V C -0.155 175.874 176.094 -0.109 0.000 1.190 70 V CA -1.388 60.871 62.300 -0.068 0.000 1.038 70 V CB 0.913 32.708 31.823 -0.047 0.000 1.198 70 V HN 0.284 nan 8.190 nan 0.000 0.465 71 K N 1.385 121.678 120.400 -0.179 0.000 2.355 71 K HA 0.192 4.510 4.320 -0.004 0.000 0.270 71 K C 1.690 178.103 176.600 -0.311 0.000 1.003 71 K CA 0.754 56.858 56.287 -0.305 0.000 0.957 71 K CB 0.961 33.084 32.500 -0.628 0.000 0.939 71 K HN 1.082 nan 8.250 nan 0.000 0.482 72 T N -0.626 113.799 114.554 -0.215 0.000 2.653 72 T HA -0.269 4.079 4.350 -0.004 0.000 0.268 72 T C 1.576 176.229 174.700 -0.080 0.000 1.035 72 T CA 2.159 64.195 62.100 -0.107 0.000 1.154 72 T CB -0.666 68.186 68.868 -0.027 0.000 0.862 72 T HN 0.793 nan 8.240 nan 0.000 0.441 73 H N 0.388 119.467 119.070 0.014 0.000 2.555 73 H HA 0.312 4.866 4.556 -0.004 0.000 0.269 73 H C 1.945 177.286 175.328 0.023 0.000 0.988 73 H CA 0.597 56.654 56.048 0.016 0.000 1.178 73 H CB -0.461 29.311 29.762 0.016 0.000 1.373 73 H HN 0.459 nan 8.280 nan 0.000 0.588 74 Q N -0.019 119.686 119.800 -0.159 0.000 2.319 74 Q HA 0.116 4.453 4.340 -0.004 0.000 0.202 74 Q C 1.448 177.452 176.000 0.007 0.000 0.896 74 Q CA 0.014 55.796 55.803 -0.035 0.000 0.942 74 Q CB 0.339 29.028 28.738 -0.081 0.000 1.083 74 Q HN 0.417 nan 8.270 nan 0.000 0.510 75 L N 0.830 122.050 121.223 -0.004 0.000 2.109 75 L HA -0.123 4.214 4.340 -0.004 0.000 0.207 75 L C 1.251 178.148 176.870 0.047 0.000 1.086 75 L CA 1.822 56.672 54.840 0.017 0.000 0.760 75 L CB -0.129 41.931 42.059 0.001 0.000 0.910 75 L HN 0.045 nan 8.230 nan 0.000 0.437 76 D N 0.294 120.727 120.400 0.054 0.000 2.149 76 D HA -0.163 4.475 4.640 -0.004 0.000 0.198 76 D C 2.097 178.424 176.300 0.044 0.000 0.990 76 D CA 1.547 55.584 54.000 0.062 0.000 0.839 76 D CB -0.145 40.696 40.800 0.068 0.000 0.948 76 D HN 0.522 nan 8.370 nan 0.000 0.460 77 A N 0.135 122.985 122.820 0.051 0.000 2.167 77 A HA 0.023 4.340 4.320 -0.004 0.000 0.214 77 A C 2.320 179.940 177.584 0.060 0.000 1.151 77 A CA 0.310 52.372 52.037 0.041 0.000 0.735 77 A CB -0.091 18.951 19.000 0.071 0.000 0.802 77 A HN 0.120 nan 8.150 nan 0.000 0.467 78 V N 0.493 120.462 119.914 0.093 0.000 2.488 78 V HA -0.180 3.938 4.120 -0.004 0.000 0.246 78 V C 2.357 178.496 176.094 0.075 0.000 1.046 78 V CA 1.245 63.627 62.300 0.137 0.000 1.053 78 V CB -0.578 31.319 31.823 0.123 0.000 0.679 78 V HN 0.497 nan 8.190 nan 0.000 0.458 79 I N 0.546 121.144 120.570 0.047 0.000 2.143 79 I HA -0.206 3.962 4.170 -0.004 0.000 0.245 79 I C 0.162 176.298 176.117 0.032 0.000 1.068 79 I CA 2.170 63.506 61.300 0.061 0.000 1.326 79 I CB -2.805 35.234 38.000 0.065 0.000 1.028 79 I HN 0.349 nan 8.210 nan 0.000 0.412 80 P HA -0.121 nan 4.420 nan 0.000 0.218 80 P C 1.689 178.955 177.300 -0.055 0.000 1.149 80 P CA 1.398 64.432 63.100 -0.110 0.000 0.817 80 P CB -0.246 31.301 31.700 -0.255 0.000 0.785 81 H N -0.682 118.379 119.070 -0.015 0.000 2.421 81 H HA -0.027 4.527 4.556 -0.004 0.000 0.298 81 H C 1.999 177.418 175.328 0.151 0.000 1.087 81 H CA 1.005 57.043 56.048 -0.017 0.000 1.330 81 H CB -0.938 28.576 29.762 -0.415 0.000 1.388 81 H HN 0.175 nan 8.280 nan 0.000 0.526 82 L N 0.307 121.656 121.223 0.211 0.000 2.127 82 L HA -0.163 4.174 4.340 -0.004 0.000 0.211 82 L C 2.473 179.504 176.870 0.268 0.000 1.089 82 L CA 1.302 56.249 54.840 0.178 0.000 0.757 82 L CB -0.745 41.392 42.059 0.130 0.000 0.899 82 L HN 0.206 nan 8.230 nan 0.000 0.434 83 T N -1.150 113.540 114.554 0.227 0.000 2.778 83 T HA -0.223 4.125 4.350 -0.004 0.000 0.269 83 T C 1.444 176.032 174.700 -0.186 0.000 1.050 83 T CA 1.673 63.775 62.100 0.003 0.000 1.137 83 T CB -0.260 68.459 68.868 -0.249 0.000 0.860 83 T HN 0.349 nan 8.240 nan 0.000 0.468 84 Y N -0.437 119.948 120.300 0.141 0.000 2.507 84 Y HA 0.406 4.954 4.550 -0.003 0.000 0.263 84 Y C 1.905 177.888 175.900 0.139 0.000 1.093 84 Y CA 0.008 58.183 58.100 0.125 0.000 1.285 84 Y CB 0.088 38.615 38.460 0.112 0.000 1.115 84 Y HN 0.094 nan 8.280 nan 0.000 0.533 85 L N -0.837 120.563 121.223 0.297 0.000 2.463 85 L HA 0.319 4.656 4.340 -0.004 0.000 0.219 85 L C 0.906 177.884 176.870 0.180 0.000 1.088 85 L CA -0.100 54.910 54.840 0.282 0.000 0.849 85 L CB 0.040 42.291 42.059 0.320 0.000 1.012 85 L HN 0.030 nan 8.230 nan 0.000 0.468 86 A N -0.532 122.323 122.820 0.058 0.000 2.324 86 A HA 0.535 4.852 4.320 -0.004 0.000 0.330 86 A C -0.653 176.961 177.584 0.050 0.000 1.165 86 A CA -0.511 51.452 52.037 -0.124 0.000 0.813 86 A CB 0.239 18.903 19.000 -0.560 0.000 1.197 86 A HN 0.398 nan 8.150 nan 0.000 0.484 87 H N -1.149 117.975 119.070 0.090 0.000 2.580 87 H HA 0.746 5.299 4.556 -0.004 0.000 0.324 87 H C 1.187 176.629 175.328 0.189 0.000 1.436 87 H CA 0.149 56.269 56.048 0.120 0.000 1.464 87 H CB 0.133 29.930 29.762 0.059 0.000 1.752 87 H HN 0.529 nan 8.280 nan 0.000 0.726 88 E N -0.037 120.397 120.200 0.391 0.000 2.153 88 E HA -0.164 4.184 4.350 -0.004 0.000 0.194 88 E C 0.891 177.665 176.600 0.289 0.000 0.988 88 E CA 1.729 58.305 56.400 0.294 0.000 0.811 88 E CB -0.708 29.092 29.700 0.166 0.000 0.746 88 E HN 0.755 nan 8.360 nan 0.000 0.466 89 D N -0.258 120.362 120.400 0.367 0.000 2.369 89 D HA 0.063 4.701 4.640 -0.004 0.000 0.211 89 D C 0.056 176.425 176.300 0.115 0.000 1.077 89 D CA 0.278 54.422 54.000 0.240 0.000 0.842 89 D CB 0.207 41.151 40.800 0.240 0.000 0.947 89 D HN 0.272 nan 8.370 nan 0.000 0.509 90 T N 1.787 116.268 114.554 -0.121 0.000 2.891 90 T HA -0.051 4.297 4.350 -0.004 0.000 0.296 90 T C 0.335 174.937 174.700 -0.163 0.000 1.025 90 T CA -0.106 61.811 62.100 -0.305 0.000 1.149 90 T CB 0.667 69.233 68.868 -0.503 0.000 1.007 90 T HN -0.027 nan 8.240 nan 0.000 0.528 91 L N 5.646 126.786 121.223 -0.139 0.000 2.278 91 L HA 0.483 4.821 4.340 -0.004 0.000 0.287 91 L C -0.586 176.155 176.870 -0.215 0.000 1.072 91 L CA -0.001 54.754 54.840 -0.141 0.000 0.819 91 L CB 0.018 42.000 42.059 -0.129 0.000 1.176 91 L HN 0.565 nan 8.230 nan 0.000 0.435 92 I N 6.777 127.227 120.570 -0.200 0.000 2.330 92 I HA 0.336 4.503 4.170 -0.004 0.000 0.289 92 I C -0.410 175.601 176.117 -0.176 0.000 1.001 92 I CA -0.181 60.991 61.300 -0.214 0.000 1.193 92 I CB 1.023 38.886 38.000 -0.229 0.000 1.345 92 I HN 0.500 nan 8.210 nan 0.000 0.461 93 I N 7.199 127.644 120.570 -0.208 0.000 2.330 93 I HA 0.273 4.441 4.170 -0.004 0.000 0.289 93 I C -0.235 175.804 176.117 -0.130 0.000 1.001 93 I CA -0.548 60.642 61.300 -0.184 0.000 1.193 93 I CB 1.063 38.901 38.000 -0.269 0.000 1.345 93 I HN 0.320 nan 8.210 nan 0.000 0.461 94 L N 6.628 127.794 121.223 -0.094 0.000 2.334 94 L HA 0.344 4.681 4.340 -0.004 0.000 0.286 94 L C 0.795 177.619 176.870 -0.078 0.000 1.108 94 L CA -0.299 54.495 54.840 -0.077 0.000 0.875 94 L CB 0.589 42.613 42.059 -0.059 0.000 1.246 94 L HN 0.693 nan 8.230 nan 0.000 0.439 95 A N 5.110 127.885 122.820 -0.075 0.000 3.056 95 A HA 0.408 4.726 4.320 -0.004 0.000 0.274 95 A C 0.232 177.773 177.584 -0.072 0.000 1.661 95 A CA -0.239 51.758 52.037 -0.066 0.000 1.363 95 A CB -0.091 18.880 19.000 -0.048 0.000 1.139 95 A HN 0.769 nan 8.150 nan 0.000 0.598 96 Q N 0.532 120.280 119.800 -0.086 0.000 2.484 96 Q HA 0.335 4.673 4.340 -0.004 0.000 0.285 96 Q C -0.817 175.116 176.000 -0.112 0.000 1.097 96 Q CA -1.249 54.499 55.803 -0.091 0.000 0.802 96 Q CB 1.376 30.061 28.738 -0.088 0.000 1.444 96 Q HN 0.606 nan 8.270 nan 0.000 0.429 97 N N -0.149 118.488 118.700 -0.105 0.000 2.408 97 N HA 0.517 5.255 4.740 -0.004 0.000 0.260 97 N C 0.371 175.795 175.510 -0.144 0.000 1.242 97 N CA 0.966 53.945 53.050 -0.119 0.000 0.959 97 N CB 0.781 39.221 38.487 -0.079 0.000 1.201 97 N HN 0.832 nan 8.380 nan 0.000 0.511 98 G N -0.416 108.273 108.800 -0.185 0.000 2.698 98 G HA2 -0.254 3.704 3.960 -0.004 0.000 0.225 98 G HA3 -0.254 3.704 3.960 -0.004 0.000 0.225 98 G C -1.352 173.315 174.900 -0.389 0.000 1.345 98 G CA -0.611 44.327 45.100 -0.270 0.000 0.871 98 G HN 0.541 nan 8.290 nan 0.000 0.540 99 Y N 2.069 121.966 120.300 -0.672 0.000 2.721 99 Y HA 0.499 5.046 4.550 -0.004 0.000 0.328 99 Y C 1.355 177.015 175.900 -0.400 0.000 1.003 99 Y CA -0.162 57.566 58.100 -0.619 0.000 1.275 99 Y CB 0.399 38.241 38.460 -1.029 0.000 1.097 99 Y HN 0.976 nan 8.280 nan 0.000 0.514 100 G N 3.422 112.202 108.800 -0.033 0.000 2.630 100 G HA2 0.058 4.016 3.960 -0.004 0.000 0.236 100 G HA3 0.058 4.016 3.960 -0.004 0.000 0.236 100 G C -0.705 174.220 174.900 0.041 0.000 1.248 100 G CA -0.505 44.582 45.100 -0.022 0.000 0.844 100 G HN 0.707 nan 8.290 nan 0.000 0.588 101 Q N 1.610 121.401 119.800 -0.016 0.000 2.506 101 Q HA 0.269 4.607 4.340 -0.004 0.000 0.242 101 Q C 0.659 176.724 176.000 0.109 0.000 1.060 101 Q CA -0.411 55.402 55.803 0.017 0.000 0.826 101 Q CB 1.212 29.878 28.738 -0.120 0.000 1.169 101 Q HN 0.501 nan 8.270 nan 0.000 0.521 102 L N 1.344 122.633 121.223 0.110 0.000 2.610 102 L HA -0.098 4.239 4.340 -0.004 0.000 0.232 102 L C 1.885 178.826 176.870 0.118 0.000 1.149 102 L CA 0.466 55.370 54.840 0.107 0.000 0.872 102 L CB -0.213 41.898 42.059 0.087 0.000 0.992 102 L HN 0.551 nan 8.230 nan 0.000 0.447 103 E N -1.187 119.095 120.200 0.136 0.000 2.472 103 E HA -0.134 4.214 4.350 -0.004 0.000 0.196 103 E C 1.221 177.865 176.600 0.073 0.000 1.033 103 E CA 0.522 56.976 56.400 0.091 0.000 0.886 103 E CB -0.198 29.536 29.700 0.058 0.000 0.944 103 E HN 0.441 nan 8.360 nan 0.000 0.492 104 H N 0.738 119.827 119.070 0.033 0.000 2.524 104 H HA 0.256 4.809 4.556 -0.004 0.000 0.282 104 H C 0.180 175.536 175.328 0.046 0.000 1.016 104 H CA 0.669 56.736 56.048 0.032 0.000 1.270 104 H CB 0.077 29.858 29.762 0.031 0.000 1.394 104 H HN 0.104 nan 8.280 nan 0.000 0.568 105 I N 2.625 123.294 120.570 0.164 0.000 2.330 105 I HA 0.175 4.343 4.170 -0.004 0.000 0.289 105 I C -1.945 174.270 176.117 0.164 0.000 1.001 105 I CA -2.012 59.398 61.300 0.182 0.000 1.193 105 I CB 1.931 40.046 38.000 0.193 0.000 1.345 105 I HN -0.074 nan 8.210 nan 0.000 0.461 106 P HA 0.209 nan 4.420 nan 0.000 0.220 106 P C -0.897 176.105 177.300 -0.496 0.000 1.778 106 P CA 0.259 63.250 63.100 -0.181 0.000 0.912 106 P CB -0.497 31.033 31.700 -0.283 0.000 1.861 107 F N -0.431 119.514 119.950 -0.010 0.000 2.613 107 F HA 0.374 4.898 4.527 -0.004 0.000 0.314 107 F C 1.727 177.525 175.800 -0.002 0.000 1.075 107 F CA -0.974 57.020 58.000 -0.009 0.000 0.945 107 F CB 1.721 40.711 39.000 -0.017 0.000 1.310 107 F HN -0.316 nan 8.300 nan 0.000 0.467 108 K N -0.056 120.453 120.400 0.181 0.000 2.001 108 K HA 0.001 4.318 4.320 -0.004 0.000 0.208 108 K C -0.136 176.524 176.600 0.100 0.000 1.048 108 K CA 1.060 57.411 56.287 0.106 0.000 0.932 108 K CB -0.149 32.402 32.500 0.084 0.000 0.715 108 K HN 0.334 nan 8.250 nan 0.000 0.437 109 N N 1.911 120.673 118.700 0.104 0.000 2.719 109 N HA 0.140 4.878 4.740 -0.004 0.000 0.243 109 N C -1.271 174.253 175.510 0.022 0.000 1.104 109 N CA 0.056 53.136 53.050 0.051 0.000 0.981 109 N CB 1.259 39.764 38.487 0.030 0.000 1.290 109 N HN -0.117 nan 8.380 nan 0.000 0.513 110 V N 1.603 121.535 119.914 0.031 0.000 2.531 110 V HA 0.430 4.548 4.120 -0.004 0.000 0.301 110 V C -0.214 175.881 176.094 0.002 0.000 1.034 110 V CA -0.719 61.588 62.300 0.011 0.000 0.865 110 V CB 1.828 33.683 31.823 0.054 0.000 0.995 110 V HN 0.511 nan 8.190 nan 0.000 0.424 111 C N 3.565 122.846 119.300 -0.032 0.000 2.563 111 C HA 0.636 5.093 4.460 -0.004 0.000 0.314 111 C C 0.024 174.990 174.990 -0.041 0.000 1.199 111 C CA -0.830 58.171 59.018 -0.029 0.000 1.564 111 C CB 1.488 29.199 27.740 -0.049 0.000 2.173 111 C HN 0.935 nan 8.230 nan 0.000 0.485 112 Q N 1.899 121.679 119.800 -0.034 0.000 2.294 112 Q HA 0.607 4.945 4.340 -0.004 0.000 0.257 112 Q C -0.388 175.577 176.000 -0.058 0.000 0.955 112 Q CA 0.105 55.872 55.803 -0.060 0.000 0.936 112 Q CB 0.918 29.604 28.738 -0.086 0.000 1.188 112 Q HN 0.900 nan 8.270 nan 0.000 0.420 113 A N 4.042 126.825 122.820 -0.061 0.000 2.292 113 A HA 0.578 4.895 4.320 -0.004 0.000 0.319 113 A C -0.899 176.648 177.584 -0.062 0.000 1.206 113 A CA -0.728 51.285 52.037 -0.039 0.000 0.835 113 A CB 1.096 20.082 19.000 -0.024 0.000 1.164 113 A HN 0.620 nan 8.150 nan 0.000 0.505 114 V N 3.688 123.574 119.914 -0.046 0.000 2.406 114 V HA 0.258 4.376 4.120 -0.004 0.000 0.272 114 V C 0.003 176.025 176.094 -0.119 0.000 1.043 114 V CA -0.324 61.917 62.300 -0.098 0.000 0.915 114 V CB 1.128 32.930 31.823 -0.035 0.000 0.988 114 V HN 0.590 nan 8.190 nan 0.000 0.466 115 V N 6.196 125.968 119.914 -0.236 0.000 2.370 115 V HA 0.369 4.487 4.120 -0.004 0.000 0.279 115 V C -0.815 175.060 176.094 -0.365 0.000 1.029 115 V CA -0.509 61.687 62.300 -0.174 0.000 0.870 115 V CB 1.038 32.798 31.823 -0.105 0.000 0.984 115 V HN 0.768 nan 8.190 nan 0.000 0.451 116 Y N 5.677 126.032 120.300 0.092 0.000 2.863 116 Y HA 0.655 5.202 4.550 -0.004 0.000 0.348 116 Y C -0.099 175.859 175.900 0.096 0.000 1.028 116 Y CA -0.516 57.650 58.100 0.109 0.000 1.213 116 Y CB 0.895 39.431 38.460 0.126 0.000 1.120 116 Y HN 0.462 nan 8.280 nan 0.000 0.598 117 I N 1.447 122.115 120.570 0.163 0.000 2.534 117 I HA 0.286 4.454 4.170 -0.004 0.000 0.286 117 I C -0.637 175.537 176.117 0.094 0.000 1.094 117 I CA -0.430 60.946 61.300 0.127 0.000 1.055 117 I CB 1.897 39.953 38.000 0.092 0.000 1.225 117 I HN 0.183 nan 8.210 nan 0.000 0.435 118 S N 3.624 119.366 115.700 0.070 0.000 2.462 118 S HA 0.897 5.364 4.470 -0.004 0.000 0.294 118 S C 0.133 174.657 174.600 -0.127 0.000 1.144 118 S CA -0.578 57.626 58.200 0.007 0.000 1.088 118 S CB 1.803 65.010 63.200 0.012 0.000 1.009 118 S HN 0.884 nan 8.310 nan 0.000 0.484 119 G N 1.602 110.259 108.800 -0.238 0.000 2.550 119 G HA2 0.623 4.581 3.960 -0.004 0.000 0.293 119 G HA3 0.623 4.581 3.960 -0.004 0.000 0.293 119 G C -2.120 172.448 174.900 -0.554 0.000 1.402 119 G CA -0.885 43.804 45.100 -0.684 0.000 0.784 119 G HN 0.666 nan 8.290 nan 0.000 0.482 120 Q N -0.942 118.446 119.800 -0.686 0.000 2.456 120 Q HA 0.751 5.088 4.340 -0.004 0.000 0.283 120 Q C -1.285 174.535 176.000 -0.301 0.000 1.084 120 Q CA -1.132 54.407 55.803 -0.440 0.000 0.801 120 Q CB 2.946 31.385 28.738 -0.498 0.000 1.434 120 Q HN 0.449 nan 8.270 nan 0.000 0.419 121 K N 1.313 121.568 120.400 -0.241 0.000 2.376 121 K HA 0.439 4.757 4.320 -0.004 0.000 0.257 121 K C -1.540 174.995 176.600 -0.109 0.000 0.939 121 K CA -0.585 55.627 56.287 -0.124 0.000 0.809 121 K CB 1.499 33.961 32.500 -0.063 0.000 1.121 121 K HN 0.623 nan 8.250 nan 0.000 0.425 122 K N 2.510 122.866 120.400 -0.074 0.000 2.507 122 K HA 0.357 4.674 4.320 -0.004 0.000 0.252 122 K C 0.085 176.657 176.600 -0.046 0.000 0.943 122 K CA -0.343 55.908 56.287 -0.060 0.000 0.808 122 K CB 1.823 34.300 32.500 -0.038 0.000 1.142 122 K HN 0.907 nan 8.250 nan 0.000 0.426 123 G N 2.993 111.754 108.800 -0.064 0.000 2.622 123 G HA2 -0.321 3.637 3.960 -0.004 0.000 0.307 123 G HA3 -0.321 3.637 3.960 -0.004 0.000 0.307 123 G C -0.042 174.841 174.900 -0.028 0.000 1.226 123 G CA 0.454 45.527 45.100 -0.045 0.000 0.997 123 G HN 0.683 nan 8.290 nan 0.000 0.551 124 D N 0.620 121.011 120.400 -0.015 0.000 2.615 124 D HA 0.440 5.077 4.640 -0.004 0.000 0.236 124 D C -0.025 176.274 176.300 -0.001 0.000 1.233 124 D CA 0.168 54.163 54.000 -0.009 0.000 0.829 124 D CB 0.683 41.478 40.800 -0.008 0.000 1.024 124 D HN 0.291 nan 8.370 nan 0.000 0.490 125 V N 1.299 121.216 119.914 0.005 0.000 2.350 125 V HA 0.282 4.400 4.120 -0.004 0.000 0.285 125 V C 0.200 176.309 176.094 0.026 0.000 1.014 125 V CA -0.771 61.548 62.300 0.031 0.000 0.831 125 V CB 2.195 34.060 31.823 0.070 0.000 1.000 125 V HN -0.194 nan 8.190 nan 0.000 0.433 126 V N 4.257 124.197 119.914 0.044 0.000 2.427 126 V HA 0.467 4.585 4.120 -0.004 0.000 0.286 126 V C 0.366 176.447 176.094 -0.020 0.000 1.034 126 V CA -0.137 62.179 62.300 0.027 0.000 0.893 126 V CB 1.977 33.884 31.823 0.140 0.000 0.982 126 V HN 0.910 nan 8.190 nan 0.000 0.452 127 T N 4.466 118.931 114.554 -0.147 0.000 2.791 127 T HA 0.292 4.639 4.350 -0.004 0.000 0.288 127 T C -0.360 174.060 174.700 -0.467 0.000 0.999 127 T CA -0.245 61.713 62.100 -0.236 0.000 0.952 127 T CB 0.155 68.900 68.868 -0.206 0.000 0.938 127 T HN 0.737 nan 8.240 nan 0.000 0.444 128 H N 4.333 123.144 119.070 -0.432 0.000 2.742 128 H HA 0.163 4.716 4.556 -0.004 0.000 0.302 128 H C -0.184 175.014 175.328 -0.218 0.000 1.069 128 H CA -0.316 55.525 56.048 -0.345 0.000 1.446 128 H CB 0.370 30.048 29.762 -0.141 0.000 1.462 128 H HN 0.477 nan 8.280 nan 0.000 0.499 129 F N 4.252 123.860 119.950 -0.569 0.000 2.164 129 F HA 0.105 4.629 4.527 -0.004 0.000 0.287 129 F C 0.983 176.415 175.800 -0.614 0.000 1.086 129 F CA 0.412 58.131 58.000 -0.469 0.000 1.249 129 F CB 0.011 38.853 39.000 -0.263 0.000 1.059 129 F HN 0.538 nan 8.300 nan 0.000 0.490 130 R N -0.891 119.267 120.500 -0.569 0.000 2.664 130 R HA 0.420 4.757 4.340 -0.004 0.000 0.266 130 R C -1.965 174.239 176.300 -0.160 0.000 1.046 130 R CA -1.010 54.905 56.100 -0.309 0.000 0.885 130 R CB 1.635 31.922 30.300 -0.022 0.000 1.254 130 R HN -0.006 nan 8.270 nan 0.000 0.465 131 D N -0.084 120.263 120.400 -0.088 0.000 10.699 131 D HA -0.163 4.475 4.640 -0.004 0.000 0.332 131 D C -1.117 175.073 176.300 -0.184 0.000 3.140 131 D CA 0.703 54.700 54.000 -0.005 0.000 2.729 131 D CB -0.294 40.587 40.800 0.136 0.000 1.225 131 D HN 0.755 nan 8.370 nan 0.000 0.945 132 Y N -0.373 120.055 120.300 0.214 0.000 2.742 132 Y HA 0.170 4.717 4.550 -0.004 0.000 0.248 132 Y C 0.853 176.832 175.900 0.131 0.000 1.132 132 Y CA -0.380 57.806 58.100 0.143 0.000 1.142 132 Y CB 0.691 39.208 38.460 0.094 0.000 1.222 132 Y HN 0.244 nan 8.280 nan 0.000 0.575 133 Q N 1.640 121.606 119.800 0.277 0.000 2.257 133 Q HA 0.609 4.947 4.340 -0.004 0.000 0.255 133 Q C -1.238 174.899 176.000 0.228 0.000 0.920 133 Q CA -0.466 55.486 55.803 0.249 0.000 0.927 133 Q CB 1.018 29.913 28.738 0.262 0.000 1.229 133 Q HN 0.364 nan 8.270 nan 0.000 0.433 134 L N 4.340 125.673 121.223 0.183 0.000 2.333 134 L HA 0.586 4.924 4.340 -0.004 0.000 0.280 134 L C -0.511 176.447 176.870 0.147 0.000 1.004 134 L CA -0.696 54.234 54.840 0.150 0.000 0.820 134 L CB 1.699 43.842 42.059 0.141 0.000 1.247 134 L HN 0.534 nan 8.230 nan 0.000 0.416 135 R N 4.784 125.366 120.500 0.137 0.000 2.338 135 R HA 0.788 5.126 4.340 -0.004 0.000 0.317 135 R C -1.048 175.299 176.300 0.079 0.000 0.968 135 R CA -0.520 55.652 56.100 0.120 0.000 0.849 135 R CB 1.842 32.234 30.300 0.153 0.000 1.128 135 R HN 0.514 nan 8.270 nan 0.000 0.448 136 I N 1.388 122.003 120.570 0.075 0.000 2.802 136 I HA 0.146 4.314 4.170 -0.004 0.000 0.298 136 I C -0.440 175.710 176.117 0.055 0.000 1.176 136 I CA -1.378 59.955 61.300 0.056 0.000 1.025 136 I CB 2.386 40.429 38.000 0.073 0.000 1.243 136 I HN 0.401 nan 8.210 nan 0.000 0.424 137 Q N 3.387 123.212 119.800 0.042 0.000 2.286 137 Q HA -0.037 4.300 4.340 -0.004 0.000 0.290 137 Q C -0.618 175.412 176.000 0.051 0.000 1.049 137 Q CA 0.470 56.300 55.803 0.046 0.000 0.923 137 Q CB 0.441 29.204 28.738 0.042 0.000 1.183 137 Q HN 0.464 nan 8.270 nan 0.000 0.383 138 D N 3.005 123.435 120.400 0.051 0.000 2.343 138 D HA 0.236 4.873 4.640 -0.004 0.000 0.255 138 D C -0.968 175.360 176.300 0.048 0.000 1.187 138 D CA 0.074 54.104 54.000 0.051 0.000 0.875 138 D CB 0.174 41.001 40.800 0.045 0.000 1.136 138 D HN 0.703 nan 8.370 nan 0.000 0.469 139 N N 1.426 120.156 118.700 0.051 0.000 3.020 139 N HA 0.412 5.149 4.740 -0.004 0.000 0.248 139 N C 0.276 175.816 175.510 0.050 0.000 1.480 139 N CA -0.396 52.682 53.050 0.047 0.000 0.874 139 N CB 0.494 39.007 38.487 0.044 0.000 1.433 139 N HN 0.121 nan 8.380 nan 0.000 0.530 140 A N -0.050 122.798 122.820 0.046 0.000 1.948 140 A HA -0.077 4.241 4.320 -0.004 0.000 0.220 140 A C 1.744 179.364 177.584 0.059 0.000 1.177 140 A CA 1.462 53.527 52.037 0.047 0.000 0.636 140 A CB -1.102 17.923 19.000 0.041 0.000 0.815 140 A HN 0.589 nan 8.150 nan 0.000 0.449 141 L N -0.519 120.740 121.223 0.060 0.000 2.131 141 L HA -0.115 4.222 4.340 -0.004 0.000 0.206 141 L C 3.026 179.958 176.870 0.104 0.000 1.087 141 L CA 1.684 56.567 54.840 0.071 0.000 0.767 141 L CB -0.592 41.497 42.059 0.050 0.000 0.917 141 L HN 0.667 nan 8.230 nan 0.000 0.441 142 T N -3.058 111.554 114.554 0.097 0.000 2.904 142 T HA -0.161 4.187 4.350 -0.004 0.000 0.267 142 T C 1.996 176.797 174.700 0.167 0.000 1.059 142 T CA 0.585 62.774 62.100 0.148 0.000 1.137 142 T CB -0.213 68.719 68.868 0.107 0.000 0.879 142 T HN 0.193 nan 8.240 nan 0.000 0.467 143 R N 1.026 121.589 120.500 0.105 0.000 2.083 143 R HA -0.082 4.255 4.340 -0.004 0.000 0.237 143 R C 2.953 179.296 176.300 0.072 0.000 1.137 143 R CA 2.010 58.155 56.100 0.074 0.000 0.951 143 R CB -0.344 29.988 30.300 0.052 0.000 0.851 143 R HN 0.571 nan 8.270 nan 0.000 0.434 144 Q N -0.768 119.086 119.800 0.090 0.000 2.124 144 Q HA -0.188 4.149 4.340 -0.004 0.000 0.202 144 Q C 1.831 177.898 176.000 0.110 0.000 0.977 144 Q CA 1.466 57.320 55.803 0.084 0.000 0.850 144 Q CB -0.140 28.652 28.738 0.090 0.000 0.901 144 Q HN 0.279 nan 8.270 nan 0.000 0.429 145 F N 1.276 121.234 119.950 0.013 0.000 2.128 145 F HA -0.124 4.401 4.527 -0.004 0.000 0.295 145 F C 2.349 178.151 175.800 0.004 0.000 1.100 145 F CA 1.191 59.196 58.000 0.008 0.000 1.260 145 F CB -0.101 38.902 39.000 0.006 0.000 1.009 145 F HN -0.131 nan 8.300 nan 0.000 0.476 146 R N 0.856 121.300 120.500 -0.093 0.000 2.096 146 R HA -0.203 4.134 4.340 -0.004 0.000 0.240 146 R C 1.831 178.026 176.300 -0.176 0.000 1.139 146 R CA 2.358 58.360 56.100 -0.164 0.000 0.952 146 R CB -1.022 29.270 30.300 -0.015 0.000 0.854 146 R HN 0.344 nan 8.270 nan 0.000 0.436 147 D N 0.711 121.055 120.400 -0.095 0.000 2.117 147 D HA -0.184 4.454 4.640 -0.004 0.000 0.197 147 D C 1.951 178.183 176.300 -0.114 0.000 0.987 147 D CA 0.915 54.868 54.000 -0.079 0.000 0.829 147 D CB -0.379 40.402 40.800 -0.033 0.000 0.961 147 D HN 0.195 nan 8.370 nan 0.000 0.460 148 L N 0.649 121.791 121.223 -0.134 0.000 2.042 148 L HA -0.130 4.208 4.340 -0.004 0.000 0.210 148 L C 2.012 178.762 176.870 -0.200 0.000 1.076 148 L CA 1.423 56.183 54.840 -0.134 0.000 0.749 148 L CB -0.270 41.736 42.059 -0.089 0.000 0.893 148 L HN -0.135 nan 8.230 nan 0.000 0.432 149 V N 0.831 120.542 119.914 -0.338 0.000 3.541 149 V HA -0.131 3.987 4.120 -0.004 0.000 0.267 149 V C 2.445 178.408 176.094 -0.220 0.000 1.213 149 V CA 1.031 63.126 62.300 -0.341 0.000 1.149 149 V CB -0.321 31.132 31.823 -0.617 0.000 0.822 149 V HN 0.781 nan 8.190 nan 0.000 0.462 150 Q N 0.015 119.710 119.800 -0.175 0.000 2.197 150 Q HA -0.303 4.035 4.340 -0.004 0.000 0.211 150 Q C 0.933 176.870 176.000 -0.104 0.000 0.993 150 Q CA 2.360 58.091 55.803 -0.121 0.000 0.883 150 Q CB -0.489 28.195 28.738 -0.090 0.000 0.916 150 Q HN 0.490 nan 8.270 nan 0.000 0.418 151 D N 1.283 121.619 120.400 -0.106 0.000 2.336 151 D HA 0.042 4.680 4.640 -0.004 0.000 0.229 151 D C 0.413 176.645 176.300 -0.112 0.000 1.061 151 D CA 0.691 54.633 54.000 -0.096 0.000 0.875 151 D CB 0.215 40.962 40.800 -0.088 0.000 0.904 151 D HN 0.402 nan 8.370 nan 0.000 0.525 152 S N -0.980 114.642 115.700 -0.130 0.000 2.747 152 S HA 0.227 4.695 4.470 -0.004 0.000 0.300 152 S C 0.869 175.376 174.600 -0.155 0.000 1.121 152 S CA -0.687 57.424 58.200 -0.149 0.000 0.995 152 S CB 2.365 65.471 63.200 -0.157 0.000 1.113 152 S HN -0.146 nan 8.310 nan 0.000 0.547 153 Q N -0.314 119.360 119.800 -0.209 0.000 2.482 153 Q HA 0.162 4.500 4.340 -0.004 0.000 0.209 153 Q C -0.089 175.760 176.000 -0.253 0.000 0.961 153 Q CA 0.210 55.838 55.803 -0.293 0.000 0.945 153 Q CB -0.079 28.355 28.738 -0.507 0.000 1.012 153 Q HN 0.595 nan 8.270 nan 0.000 0.515 154 I N 1.754 122.242 120.570 -0.137 0.000 2.556 154 I HA -0.042 4.125 4.170 -0.004 0.000 0.284 154 I C 0.355 176.480 176.117 0.014 0.000 1.114 154 I CA 0.227 61.522 61.300 -0.008 0.000 1.418 154 I CB 0.407 38.411 38.000 0.007 0.000 1.394 154 I HN -0.102 nan 8.210 nan 0.000 0.552 155 D N 7.569 128.026 120.400 0.095 0.000 2.485 155 D HA 0.231 4.868 4.640 -0.004 0.000 0.221 155 D C -0.150 176.205 176.300 0.093 0.000 1.112 155 D CA -0.466 53.587 54.000 0.089 0.000 0.911 155 D CB 0.435 41.321 40.800 0.143 0.000 1.019 155 D HN 0.138 nan 8.370 nan 0.000 0.516 156 I N 3.386 123.989 120.570 0.055 0.000 2.416 156 I HA 0.157 4.325 4.170 -0.004 0.000 0.288 156 I C 0.253 176.410 176.117 0.067 0.000 1.051 156 I CA -0.575 60.770 61.300 0.076 0.000 1.375 156 I CB 1.159 39.191 38.000 0.053 0.000 1.407 156 I HN 0.023 nan 8.210 nan 0.000 0.516 157 V N 7.723 127.688 119.914 0.085 0.000 2.350 157 V HA 0.365 4.482 4.120 -0.004 0.000 0.285 157 V C 0.209 176.346 176.094 0.071 0.000 1.014 157 V CA -0.626 61.715 62.300 0.068 0.000 0.831 157 V CB 1.821 33.684 31.823 0.068 0.000 1.000 157 V HN 0.453 nan 8.190 nan 0.000 0.433 158 L N 4.249 125.507 121.223 0.059 0.000 2.305 158 L HA 0.552 4.889 4.340 -0.004 0.000 0.281 158 L C 0.120 177.020 176.870 0.049 0.000 1.085 158 L CA -0.192 54.683 54.840 0.059 0.000 0.813 158 L CB 1.179 43.272 42.059 0.057 0.000 1.157 158 L HN 0.582 nan 8.230 nan 0.000 0.436 159 E N 0.791 121.022 120.200 0.052 0.000 2.207 159 E HA 0.454 4.801 4.350 -0.004 0.000 0.270 159 E C 0.401 177.029 176.600 0.046 0.000 0.927 159 E CA -0.110 56.319 56.400 0.048 0.000 0.799 159 E CB 2.038 31.771 29.700 0.055 0.000 1.172 159 E HN 0.598 nan 8.360 nan 0.000 0.404 160 A N 3.570 126.415 122.820 0.042 0.000 1.877 160 A HA -0.118 4.200 4.320 -0.004 0.000 0.216 160 A C 0.831 178.444 177.584 0.048 0.000 1.186 160 A CA 1.437 53.498 52.037 0.041 0.000 0.620 160 A CB -0.175 18.846 19.000 0.035 0.000 0.822 160 A HN 0.476 nan 8.150 nan 0.000 0.443 161 N N -1.208 117.526 118.700 0.056 0.000 2.549 161 N HA 0.299 5.037 4.740 -0.004 0.000 0.281 161 N C -0.052 175.506 175.510 0.079 0.000 1.084 161 N CA -0.572 52.519 53.050 0.068 0.000 0.862 161 N CB 1.076 39.604 38.487 0.069 0.000 1.333 161 N HN 0.012 nan 8.380 nan 0.000 0.523 162 I N 2.948 123.561 120.570 0.072 0.000 2.454 162 I HA -0.168 4.000 4.170 -0.004 0.000 0.254 162 I C 2.151 178.306 176.117 0.064 0.000 1.156 162 I CA 1.441 62.776 61.300 0.058 0.000 1.433 162 I CB -0.240 37.778 38.000 0.030 0.000 1.082 162 I HN 0.735 nan 8.210 nan 0.000 0.432 163 Q N -0.066 119.798 119.800 0.107 0.000 2.173 163 Q HA -0.340 3.997 4.340 -0.004 0.000 0.208 163 Q C 2.283 178.435 176.000 0.253 0.000 0.989 163 Q CA 2.374 58.283 55.803 0.177 0.000 0.872 163 Q CB -0.241 28.672 28.738 0.292 0.000 0.909 163 Q HN 0.707 nan 8.270 nan 0.000 0.420 164 Q N -0.660 119.271 119.800 0.217 0.000 2.084 164 Q HA -0.175 4.162 4.340 -0.004 0.000 0.202 164 Q C 1.931 178.167 176.000 0.394 0.000 0.978 164 Q CA 1.547 57.528 55.803 0.297 0.000 0.844 164 Q CB -0.231 28.636 28.738 0.215 0.000 0.898 164 Q HN 0.492 nan 8.270 nan 0.000 0.426 165 A N 0.540 123.505 122.820 0.242 0.000 1.933 165 A HA -0.156 4.162 4.320 -0.004 0.000 0.218 165 A C 1.984 179.704 177.584 0.227 0.000 1.175 165 A CA 1.286 53.460 52.037 0.229 0.000 0.628 165 A CB -0.632 18.452 19.000 0.141 0.000 0.814 165 A HN 0.492 nan 8.150 nan 0.000 0.444 166 I N -2.667 117.954 120.570 0.086 0.000 2.142 166 I HA -0.290 3.878 4.170 -0.004 0.000 0.240 166 I C 2.456 178.561 176.117 -0.021 0.000 1.078 166 I CA 1.438 62.664 61.300 -0.123 0.000 1.343 166 I CB -0.371 37.320 38.000 -0.515 0.000 1.046 166 I HN 0.527 nan 8.210 nan 0.000 0.405 167 W N -0.069 121.318 121.300 0.146 0.000 2.374 167 W HA -0.248 4.410 4.660 -0.003 0.000 0.288 167 W C 2.615 179.394 176.519 0.434 0.000 1.218 167 W CA 1.269 58.802 57.345 0.314 0.000 1.245 167 W CB -0.449 29.210 29.460 0.332 0.000 1.126 167 W HN 0.130 nan 8.180 nan 0.000 0.545 168 Y N 1.438 122.060 120.300 0.537 0.000 2.145 168 Y HA -0.288 4.260 4.550 -0.004 0.000 0.286 168 Y C 2.514 178.527 175.900 0.188 0.000 1.145 168 Y CA 2.306 60.558 58.100 0.253 0.000 1.148 168 Y CB -0.563 37.987 38.460 0.149 0.000 0.981 168 Y HN -0.241 nan 8.280 nan 0.000 0.507 169 K N 0.608 121.184 120.400 0.293 0.000 2.063 169 K HA -0.179 4.138 4.320 -0.004 0.000 0.208 169 K C 1.995 178.610 176.600 0.025 0.000 1.048 169 K CA 1.875 58.230 56.287 0.114 0.000 0.928 169 K CB -0.795 31.694 32.500 -0.018 0.000 0.713 169 K HN 0.474 nan 8.250 nan 0.000 0.442 170 L N -0.036 121.190 121.223 0.005 0.000 2.043 170 L HA -0.252 4.086 4.340 -0.004 0.000 0.212 170 L C 2.146 179.063 176.870 0.079 0.000 1.075 170 L CA 0.936 55.766 54.840 -0.017 0.000 0.752 170 L CB -0.492 41.471 42.059 -0.160 0.000 0.891 170 L HN 0.175 nan 8.230 nan 0.000 0.432 171 L N -1.146 120.146 121.223 0.115 0.000 2.046 171 L HA -0.176 4.161 4.340 -0.004 0.000 0.208 171 L C 2.414 179.290 176.870 0.010 0.000 1.077 171 L CA 1.380 56.257 54.840 0.063 0.000 0.747 171 L CB -0.806 41.237 42.059 -0.026 0.000 0.896 171 L HN -0.031 nan 8.230 nan 0.000 0.432 172 V N 0.089 119.970 119.914 -0.055 0.000 2.287 172 V HA -0.320 3.797 4.120 -0.004 0.000 0.248 172 V C 2.353 178.587 176.094 0.233 0.000 1.053 172 V CA 1.873 64.223 62.300 0.082 0.000 1.027 172 V CB -0.642 31.257 31.823 0.127 0.000 0.646 172 V HN 0.513 nan 8.190 nan 0.000 0.447 173 N N -0.084 118.695 118.700 0.132 0.000 2.120 173 N HA -0.135 4.602 4.740 -0.004 0.000 0.188 173 N C 1.736 177.311 175.510 0.107 0.000 1.024 173 N CA 1.378 54.490 53.050 0.103 0.000 0.852 173 N CB -0.543 37.974 38.487 0.051 0.000 1.003 173 N HN 0.389 nan 8.380 nan 0.000 0.424 174 L N 1.125 122.421 121.223 0.121 0.000 2.013 174 L HA -0.100 4.238 4.340 -0.004 0.000 0.212 174 L C 1.971 178.919 176.870 0.130 0.000 1.073 174 L CA 2.108 57.028 54.840 0.133 0.000 0.753 174 L CB -1.175 40.977 42.059 0.156 0.000 0.890 174 L HN 0.141 nan 8.230 nan 0.000 0.432 175 G N -0.668 108.237 108.800 0.176 0.000 2.556 175 G HA2 -0.249 3.709 3.960 -0.004 0.000 0.215 175 G HA3 -0.249 3.709 3.960 -0.004 0.000 0.215 175 G C 1.529 176.422 174.900 -0.013 0.000 1.258 175 G CA 0.815 46.017 45.100 0.170 0.000 0.811 175 G HN 0.388 nan 8.290 nan 0.000 0.557 176 I N 1.600 122.028 120.570 -0.237 0.000 2.252 176 I HA -0.090 4.078 4.170 -0.004 0.000 0.245 176 I C 2.299 178.305 176.117 -0.184 0.000 1.102 176 I CA 1.110 62.147 61.300 -0.438 0.000 1.385 176 I CB -0.446 37.041 38.000 -0.856 0.000 1.064 176 I HN 0.081 nan 8.210 nan 0.000 0.414 177 N N 0.036 118.688 118.700 -0.080 0.000 2.104 177 N HA -0.159 4.579 4.740 -0.004 0.000 0.190 177 N C 1.986 177.479 175.510 -0.027 0.000 1.024 177 N CA 1.760 54.784 53.050 -0.043 0.000 0.853 177 N CB -0.481 38.006 38.487 -0.000 0.000 1.008 177 N HN 0.298 nan 8.380 nan 0.000 0.424 178 S N 0.336 116.038 115.700 0.004 0.000 2.355 178 S HA 0.009 4.476 4.470 -0.004 0.000 0.222 178 S C 1.822 176.421 174.600 -0.002 0.000 1.031 178 S CA 0.591 58.809 58.200 0.028 0.000 0.993 178 S CB -0.100 63.147 63.200 0.077 0.000 0.859 178 S HN 0.206 nan 8.310 nan 0.000 0.453 179 I N 2.365 122.918 120.570 -0.030 0.000 2.233 179 I HA -0.119 4.049 4.170 -0.004 0.000 0.243 179 I C 2.868 178.942 176.117 -0.071 0.000 1.093 179 I CA 1.825 63.096 61.300 -0.047 0.000 1.380 179 I CB -2.103 35.853 38.000 -0.073 0.000 1.067 179 I HN 0.446 nan 8.210 nan 0.000 0.413 180 T N -0.185 114.307 114.554 -0.103 0.000 2.737 180 T HA -0.044 4.304 4.350 -0.004 0.000 0.265 180 T C 2.110 176.810 174.700 -0.001 0.000 1.038 180 T CA 1.174 63.202 62.100 -0.119 0.000 1.144 180 T CB -0.668 68.061 68.868 -0.232 0.000 0.866 180 T HN 0.248 nan 8.240 nan 0.000 0.434 181 A N 2.011 124.825 122.820 -0.010 0.000 1.865 181 A HA 0.095 4.413 4.320 -0.004 0.000 0.217 181 A C 2.510 180.057 177.584 -0.062 0.000 1.191 181 A CA 1.631 53.647 52.037 -0.036 0.000 0.623 181 A CB -1.078 17.869 19.000 -0.089 0.000 0.826 181 A HN 0.533 nan 8.150 nan 0.000 0.444 182 L N -0.847 120.343 121.223 -0.056 0.000 2.141 182 L HA -0.093 4.245 4.340 -0.004 0.000 0.209 182 L C 2.620 179.437 176.870 -0.089 0.000 1.094 182 L CA 0.969 55.761 54.840 -0.081 0.000 0.763 182 L CB -0.614 41.402 42.059 -0.071 0.000 0.908 182 L HN 0.518 nan 8.230 nan 0.000 0.437 183 G N -1.113 107.652 108.800 -0.058 0.000 2.744 183 G HA2 -0.127 3.830 3.960 -0.004 0.000 0.211 183 G HA3 -0.127 3.830 3.960 -0.004 0.000 0.211 183 G C 0.713 175.607 174.900 -0.011 0.000 1.143 183 G CA -0.318 44.752 45.100 -0.049 0.000 0.788 183 G HN 0.252 nan 8.290 nan 0.000 0.534 184 R N -0.712 119.805 120.500 0.029 0.000 3.405 184 R HA -0.152 4.186 4.340 -0.004 0.000 0.258 184 R C 0.085 176.520 176.300 0.225 0.000 1.030 184 R CA 0.778 56.952 56.100 0.123 0.000 0.691 184 R CB -1.946 28.373 30.300 0.031 0.000 1.093 184 R HN 0.568 nan 8.270 nan 0.000 0.448 185 Q N -1.486 118.370 119.800 0.094 0.000 2.456 185 Q HA 0.441 4.779 4.340 -0.004 0.000 0.283 185 Q C 0.203 175.848 176.000 -0.591 0.000 1.084 185 Q CA -0.463 55.262 55.803 -0.130 0.000 0.801 185 Q CB 2.134 30.811 28.738 -0.103 0.000 1.434 185 Q HN 0.311 nan 8.270 nan 0.000 0.419 186 T N -2.679 111.484 114.554 -0.652 0.000 2.698 186 T HA 0.091 4.439 4.350 -0.004 0.000 0.295 186 T C 1.414 175.884 174.700 -0.383 0.000 1.007 186 T CA -0.544 61.142 62.100 -0.690 0.000 0.980 186 T CB 0.241 68.835 68.868 -0.456 0.000 1.036 186 T HN 0.332 nan 8.240 nan 0.000 0.526 187 V N 1.346 121.073 119.914 -0.312 0.000 2.636 187 V HA -0.222 3.895 4.120 -0.004 0.000 0.258 187 V C 3.036 179.060 176.094 -0.117 0.000 1.092 187 V CA 2.138 64.325 62.300 -0.187 0.000 1.110 187 V CB -1.864 29.896 31.823 -0.106 0.000 0.685 187 V HN 1.053 nan 8.190 nan 0.000 0.481 188 A N -0.281 122.492 122.820 -0.079 0.000 2.076 188 A HA -0.245 4.072 4.320 -0.004 0.000 0.220 188 A C 2.181 179.812 177.584 0.079 0.000 1.160 188 A CA 1.922 53.998 52.037 0.066 0.000 0.653 188 A CB -0.658 18.357 19.000 0.025 0.000 0.801 188 A HN 0.592 nan 8.150 nan 0.000 0.455 189 I N -0.864 119.684 120.570 -0.037 0.000 2.530 189 I HA -0.239 3.928 4.170 -0.004 0.000 0.257 189 I C 1.813 177.914 176.117 -0.027 0.000 1.179 189 I CA 1.145 62.425 61.300 -0.033 0.000 1.440 189 I CB -0.022 37.932 38.000 -0.075 0.000 1.087 189 I HN 0.261 nan 8.210 nan 0.000 0.440 190 M N -0.518 119.039 119.600 -0.072 0.000 2.632 190 M HA -0.135 4.342 4.480 -0.004 0.000 0.256 190 M C 1.740 177.948 176.300 -0.153 0.000 1.080 190 M CA 1.147 56.380 55.300 -0.113 0.000 1.084 190 M CB -1.336 31.177 32.600 -0.145 0.000 1.439 190 M HN 0.381 nan 8.290 nan 0.000 0.509 191 H N 0.171 119.216 119.070 -0.042 0.000 2.491 191 H HA 0.075 4.628 4.556 -0.004 0.000 0.290 191 H C 0.418 175.729 175.328 -0.028 0.000 1.050 191 H CA 0.410 56.438 56.048 -0.033 0.000 1.309 191 H CB 0.008 29.749 29.762 -0.035 0.000 1.392 191 H HN 0.365 nan 8.280 nan 0.000 0.554 192 N N 2.528 121.269 118.700 0.068 0.000 2.452 192 N HA -0.018 4.720 4.740 -0.004 0.000 0.266 192 N C -1.718 173.798 175.510 0.011 0.000 1.175 192 N CA -0.961 52.109 53.050 0.032 0.000 0.945 192 N CB 1.331 39.827 38.487 0.014 0.000 1.063 192 N HN 0.126 nan 8.380 nan 0.000 0.472 193 P HA -0.120 nan 4.420 nan 0.000 0.216 193 P C 0.738 178.038 177.300 -0.001 0.000 1.150 193 P CA 1.348 64.449 63.100 0.002 0.000 0.837 193 P CB 0.429 32.133 31.700 0.006 0.000 0.786 194 E N -0.900 119.303 120.200 0.005 0.000 2.153 194 E HA -0.119 4.228 4.350 -0.004 0.000 0.194 194 E C 1.972 178.575 176.600 0.004 0.000 0.988 194 E CA 0.853 57.259 56.400 0.009 0.000 0.811 194 E CB -0.733 28.977 29.700 0.017 0.000 0.746 194 E HN 0.198 nan 8.360 nan 0.000 0.466 195 I N 0.312 120.880 120.570 -0.003 0.000 2.406 195 I HA -0.113 4.054 4.170 -0.004 0.000 0.249 195 I C 2.370 178.475 176.117 -0.020 0.000 1.122 195 I CA 0.871 62.164 61.300 -0.011 0.000 1.431 195 I CB -0.653 37.336 38.000 -0.019 0.000 1.087 195 I HN 0.071 nan 8.210 nan 0.000 0.424 196 R N 1.394 121.880 120.500 -0.024 0.000 2.096 196 R HA -0.168 4.170 4.340 -0.004 0.000 0.240 196 R C 2.301 178.583 176.300 -0.030 0.000 1.139 196 R CA 1.664 57.748 56.100 -0.027 0.000 0.952 196 R CB -0.285 29.994 30.300 -0.034 0.000 0.854 196 R HN 0.244 nan 8.270 nan 0.000 0.436 197 I N 0.253 120.805 120.570 -0.031 0.000 2.142 197 I HA -0.281 3.887 4.170 -0.004 0.000 0.240 197 I C 2.246 178.312 176.117 -0.085 0.000 1.078 197 I CA 0.929 62.202 61.300 -0.046 0.000 1.343 197 I CB -0.434 37.551 38.000 -0.024 0.000 1.046 197 I HN 0.257 nan 8.210 nan 0.000 0.405 198 L N 0.789 121.973 121.223 -0.064 0.000 2.021 198 L HA -0.304 4.034 4.340 -0.004 0.000 0.215 198 L C 2.641 179.447 176.870 -0.105 0.000 1.074 198 L CA 1.932 56.717 54.840 -0.092 0.000 0.760 198 L CB -0.918 41.145 42.059 0.007 0.000 0.889 198 L HN 0.453 nan 8.230 nan 0.000 0.433 199 C N -0.027 119.248 119.300 -0.042 0.000 2.401 199 C HA -0.217 4.241 4.460 -0.004 0.000 0.276 199 C C 3.069 178.048 174.990 -0.018 0.000 1.233 199 C CA 1.471 60.490 59.018 0.002 0.000 1.753 199 C CB -0.964 26.804 27.740 0.047 0.000 2.029 199 C HN 0.717 nan 8.230 nan 0.000 0.478 200 R N -0.314 120.149 120.500 -0.060 0.000 2.066 200 R HA -0.119 4.218 4.340 -0.004 0.000 0.232 200 R C 2.487 178.698 176.300 -0.148 0.000 1.131 200 R CA 1.616 57.666 56.100 -0.084 0.000 0.955 200 R CB -0.392 29.860 30.300 -0.080 0.000 0.851 200 R HN 0.552 nan 8.270 nan 0.000 0.432 201 Q N 0.588 120.218 119.800 -0.284 0.000 2.135 201 Q HA -0.199 4.138 4.340 -0.004 0.000 0.204 201 Q C 2.100 177.848 176.000 -0.421 0.000 0.981 201 Q CA 1.169 56.647 55.803 -0.542 0.000 0.856 201 Q CB -0.405 27.597 28.738 -1.227 0.000 0.902 201 Q HN 0.289 nan 8.270 nan 0.000 0.425 202 L N 0.346 121.412 121.223 -0.261 0.000 2.056 202 L HA -0.093 4.244 4.340 -0.004 0.000 0.207 202 L C 2.133 179.031 176.870 0.048 0.000 1.078 202 L CA 1.390 56.224 54.840 -0.010 0.000 0.749 202 L CB -0.666 41.427 42.059 0.056 0.000 0.901 202 L HN 0.141 nan 8.230 nan 0.000 0.433 203 L N -1.274 119.959 121.223 0.017 0.000 2.191 203 L HA -0.234 4.104 4.340 -0.004 0.000 0.212 203 L C 2.471 179.362 176.870 0.034 0.000 1.103 203 L CA 0.999 55.857 54.840 0.029 0.000 0.769 203 L CB -0.493 41.555 42.059 -0.019 0.000 0.908 203 L HN 0.331 nan 8.230 nan 0.000 0.438 204 L N -0.742 120.486 121.223 0.008 0.000 2.072 204 L HA -0.191 4.147 4.340 -0.004 0.000 0.205 204 L C 2.185 179.102 176.870 0.080 0.000 1.079 204 L CA 0.936 55.794 54.840 0.029 0.000 0.752 204 L CB -0.476 41.581 42.059 -0.002 0.000 0.906 204 L HN 0.221 nan 8.230 nan 0.000 0.436 205 D N 0.208 120.677 120.400 0.116 0.000 2.116 205 D HA -0.174 4.464 4.640 -0.004 0.000 0.193 205 D C 2.086 178.476 176.300 0.150 0.000 0.998 205 D CA 1.608 55.703 54.000 0.159 0.000 0.836 205 D CB -0.396 40.542 40.800 0.228 0.000 0.951 205 D HN 0.326 nan 8.370 nan 0.000 0.449 206 G N -0.156 108.747 108.800 0.172 0.000 2.422 206 G HA2 -0.264 3.693 3.960 -0.004 0.000 0.218 206 G HA3 -0.264 3.693 3.960 -0.004 0.000 0.218 206 G C 1.950 176.991 174.900 0.235 0.000 1.146 206 G CA 0.965 46.205 45.100 0.234 0.000 0.769 206 G HN 0.329 nan 8.290 nan 0.000 0.547 207 C N -0.322 119.087 119.300 0.180 0.000 2.429 207 C HA 0.040 4.497 4.460 -0.004 0.000 0.277 207 C C 2.837 177.878 174.990 0.085 0.000 1.262 207 C CA 0.789 59.919 59.018 0.187 0.000 1.733 207 C CB -0.739 27.083 27.740 0.137 0.000 2.010 207 C HN 0.464 nan 8.230 nan 0.000 0.483 208 R N 0.550 121.084 120.500 0.056 0.000 2.096 208 R HA -0.113 4.225 4.340 -0.004 0.000 0.235 208 R C 1.974 178.236 176.300 -0.064 0.000 1.127 208 R CA 1.526 57.625 56.100 -0.001 0.000 0.968 208 R CB -0.291 30.023 30.300 0.023 0.000 0.861 208 R HN 0.443 nan 8.270 nan 0.000 0.440 209 V N 0.751 120.654 119.914 -0.019 0.000 2.343 209 V HA -0.213 3.904 4.120 -0.004 0.000 0.247 209 V C 2.493 178.393 176.094 -0.322 0.000 1.051 209 V CA 1.865 64.123 62.300 -0.071 0.000 1.036 209 V CB -0.746 31.151 31.823 0.124 0.000 0.654 209 V HN 0.427 nan 8.190 nan 0.000 0.451 210 A N -0.722 121.882 122.820 -0.359 0.000 1.969 210 A HA -0.256 4.061 4.320 -0.004 0.000 0.218 210 A C 2.189 179.393 177.584 -0.632 0.000 1.169 210 A CA 1.769 53.333 52.037 -0.788 0.000 0.635 210 A CB -0.394 18.357 19.000 -0.415 0.000 0.810 210 A HN 0.632 nan 8.150 nan 0.000 0.445 211 Q N -0.523 119.058 119.800 -0.364 0.000 2.016 211 Q HA -0.057 4.281 4.340 -0.004 0.000 0.200 211 Q C 2.417 178.209 176.000 -0.347 0.000 0.978 211 Q CA 1.432 57.058 55.803 -0.296 0.000 0.833 211 Q CB -0.434 28.208 28.738 -0.160 0.000 0.895 211 Q HN 0.650 nan 8.270 nan 0.000 0.427 212 A N 1.238 123.817 122.820 -0.401 0.000 2.032 212 A HA -0.206 4.112 4.320 -0.004 0.000 0.221 212 A C 1.691 178.820 177.584 -0.758 0.000 1.165 212 A CA 1.328 53.002 52.037 -0.605 0.000 0.645 212 A CB -0.280 18.262 19.000 -0.763 0.000 0.807 212 A HN 0.215 nan 8.150 nan 0.000 0.453 213 E N -1.271 118.561 120.200 -0.613 0.000 2.502 213 E HA 0.176 4.523 4.350 -0.004 0.000 0.194 213 E C 1.086 177.496 176.600 -0.317 0.000 1.062 213 E CA 0.636 56.795 56.400 -0.400 0.000 0.867 213 E CB -0.226 29.175 29.700 -0.498 0.000 0.888 213 E HN 0.817 nan 8.360 nan 0.000 0.510 214 G N 1.123 109.727 108.800 -0.327 0.000 2.132 214 G HA2 -0.261 3.697 3.960 -0.004 0.000 0.228 214 G HA3 -0.261 3.697 3.960 -0.004 0.000 0.228 214 G C -0.003 174.730 174.900 -0.278 0.000 1.000 214 G CA 0.017 44.976 45.100 -0.234 0.000 0.693 214 G HN 0.166 nan 8.290 nan 0.000 0.515 215 L N -0.444 120.519 121.223 -0.434 0.000 2.331 215 L HA 0.522 4.859 4.340 -0.004 0.000 0.275 215 L C 0.808 177.407 176.870 -0.452 0.000 1.022 215 L CA -0.961 53.547 54.840 -0.554 0.000 0.812 215 L CB 1.517 42.952 42.059 -1.042 0.000 1.257 215 L HN 0.060 nan 8.230 nan 0.000 0.435 216 N N 1.427 119.952 118.700 -0.292 0.000 2.652 216 N HA 0.162 4.900 4.740 -0.004 0.000 0.259 216 N C -0.926 174.682 175.510 0.162 0.000 1.240 216 N CA -0.051 52.960 53.050 -0.064 0.000 0.951 216 N CB -0.152 38.336 38.487 0.002 0.000 1.281 216 N HN 0.208 nan 8.380 nan 0.000 0.507 217 F N 0.184 120.123 119.950 -0.018 0.000 2.382 217 F HA 0.423 4.948 4.527 -0.004 0.000 0.331 217 F C 1.339 177.138 175.800 -0.002 0.000 1.121 217 F CA -1.539 56.469 58.000 0.013 0.000 1.183 217 F CB 0.786 39.804 39.000 0.029 0.000 1.207 217 F HN -0.013 nan 8.300 nan 0.000 0.555 218 S N 0.045 115.863 115.700 0.196 0.000 2.705 218 S HA 0.320 4.787 4.470 -0.004 0.000 0.280 218 S C 0.653 175.281 174.600 0.047 0.000 1.174 218 S CA -0.625 57.630 58.200 0.093 0.000 0.823 218 S CB 1.426 64.666 63.200 0.066 0.000 1.162 218 S HN 0.592 nan 8.310 nan 0.000 0.487 219 E N 0.121 120.335 120.200 0.024 0.000 2.187 219 E HA -0.257 4.090 4.350 -0.004 0.000 0.199 219 E C 1.567 178.157 176.600 -0.016 0.000 1.004 219 E CA 1.868 58.269 56.400 0.000 0.000 0.813 219 E CB -0.196 29.503 29.700 -0.002 0.000 0.736 219 E HN 0.601 nan 8.360 nan 0.000 0.468 220 Q N -0.821 118.975 119.800 -0.006 0.000 2.245 220 Q HA -0.033 4.304 4.340 -0.004 0.000 0.201 220 Q C 1.990 177.972 176.000 -0.030 0.000 0.955 220 Q CA 1.619 57.411 55.803 -0.018 0.000 0.870 220 Q CB 0.039 28.773 28.738 -0.006 0.000 0.945 220 Q HN 0.268 nan 8.270 nan 0.000 0.461 221 T N -0.362 114.173 114.554 -0.031 0.000 2.746 221 T HA -0.129 4.218 4.350 -0.004 0.000 0.267 221 T C 1.881 176.508 174.700 -0.123 0.000 1.039 221 T CA 1.345 63.398 62.100 -0.078 0.000 1.142 221 T CB -0.382 68.373 68.868 -0.189 0.000 0.866 221 T HN 0.053 nan 8.240 nan 0.000 0.444 222 V N 2.371 122.216 119.914 -0.114 0.000 2.332 222 V HA -0.202 3.916 4.120 -0.004 0.000 0.248 222 V C 2.377 178.379 176.094 -0.152 0.000 1.055 222 V CA 1.843 64.059 62.300 -0.140 0.000 1.038 222 V CB -0.678 31.092 31.823 -0.089 0.000 0.651 222 V HN 0.423 nan 8.190 nan 0.000 0.450 223 D N 0.449 120.785 120.400 -0.106 0.000 2.123 223 D HA -0.160 4.478 4.640 -0.004 0.000 0.196 223 D C 2.372 178.597 176.300 -0.125 0.000 0.992 223 D CA 2.105 56.044 54.000 -0.103 0.000 0.833 223 D CB -0.530 40.229 40.800 -0.068 0.000 0.954 223 D HN 0.653 nan 8.370 nan 0.000 0.455 224 T N -1.365 113.127 114.554 -0.103 0.000 2.904 224 T HA 0.007 4.354 4.350 -0.004 0.000 0.267 224 T C 2.269 176.883 174.700 -0.144 0.000 1.059 224 T CA 0.336 62.388 62.100 -0.081 0.000 1.137 224 T CB -0.381 68.487 68.868 -0.001 0.000 0.879 224 T HN 0.127 nan 8.240 nan 0.000 0.467 225 I N 0.481 120.898 120.570 -0.255 0.000 2.286 225 I HA -0.015 4.153 4.170 -0.004 0.000 0.245 225 I C 2.732 178.398 176.117 -0.752 0.000 1.104 225 I CA 1.258 62.253 61.300 -0.508 0.000 1.397 225 I CB -0.293 37.346 38.000 -0.602 0.000 1.072 225 I HN 0.212 nan 8.210 nan 0.000 0.417 226 M N -0.167 119.115 119.600 -0.529 0.000 2.374 226 M HA -0.139 4.338 4.480 -0.004 0.000 0.264 226 M C 2.131 178.265 176.300 -0.276 0.000 1.067 226 M CA 1.445 56.486 55.300 -0.432 0.000 1.103 226 M CB -0.325 32.145 32.600 -0.217 0.000 1.402 226 M HN 0.226 nan 8.290 nan 0.000 0.444 227 T N 0.878 115.290 114.554 -0.237 0.000 2.737 227 T HA -0.086 4.262 4.350 -0.004 0.000 0.265 227 T C 1.685 176.261 174.700 -0.207 0.000 1.038 227 T CA 1.200 63.196 62.100 -0.173 0.000 1.144 227 T CB -0.290 68.501 68.868 -0.127 0.000 0.866 227 T HN 0.328 nan 8.240 nan 0.000 0.434 228 I N 0.093 120.503 120.570 -0.268 0.000 2.151 228 I HA -0.264 3.904 4.170 -0.004 0.000 0.243 228 I C 2.225 178.048 176.117 -0.490 0.000 1.080 228 I CA 1.763 62.882 61.300 -0.303 0.000 1.339 228 I CB -0.478 37.379 38.000 -0.238 0.000 1.039 228 I HN 0.366 nan 8.210 nan 0.000 0.409 229 Y N -0.186 119.783 120.300 -0.551 0.000 2.181 229 Y HA -0.324 4.224 4.550 -0.004 0.000 0.288 229 Y C 2.777 178.413 175.900 -0.440 0.000 1.146 229 Y CA 0.429 58.144 58.100 -0.643 0.000 1.164 229 Y CB -0.225 38.067 38.460 -0.280 0.000 0.982 229 Y HN 0.188 nan 8.280 nan 0.000 0.515 230 Q N 0.577 120.306 119.800 -0.119 0.000 2.291 230 Q HA -0.096 4.242 4.340 -0.004 0.000 0.206 230 Q C 2.128 178.074 176.000 -0.090 0.000 0.976 230 Q CA 1.338 57.084 55.803 -0.096 0.000 0.875 230 Q CB -0.558 28.128 28.738 -0.086 0.000 0.927 230 Q HN 0.426 nan 8.270 nan 0.000 0.450 231 G N -1.651 107.064 108.800 -0.143 0.000 2.920 231 G HA2 -0.088 3.870 3.960 -0.004 0.000 0.208 231 G HA3 -0.088 3.870 3.960 -0.004 0.000 0.208 231 G C -0.465 174.493 174.900 0.095 0.000 1.159 231 G CA -0.210 44.860 45.100 -0.049 0.000 0.784 231 G HN 0.139 nan 8.290 nan 0.000 0.535 232 Y N 1.278 121.581 120.300 0.005 0.000 2.350 232 Y HA 0.376 4.924 4.550 -0.004 0.000 0.340 232 Y C -1.937 173.918 175.900 -0.075 0.000 1.006 232 Y CA -4.093 53.987 58.100 -0.033 0.000 1.166 232 Y CB 0.739 39.175 38.460 -0.040 0.000 1.168 232 Y HN -0.048 nan 8.280 nan 0.000 0.502 233 P HA -0.001 nan 4.420 nan 0.000 0.267 233 P C 0.496 177.760 177.300 -0.061 0.000 1.200 233 P CA 0.068 63.146 63.100 -0.037 0.000 0.772 233 P CB 1.025 32.653 31.700 -0.120 0.000 0.855 234 D N 1.321 121.700 120.400 -0.034 0.000 2.203 234 D HA -0.179 4.458 4.640 -0.004 0.000 0.199 234 D C 1.256 177.496 176.300 -0.100 0.000 0.997 234 D CA 1.396 55.380 54.000 -0.026 0.000 0.863 234 D CB -0.026 40.804 40.800 0.049 0.000 0.928 234 D HN 0.476 nan 8.370 nan 0.000 0.458 235 E N -0.463 119.653 120.200 -0.140 0.000 2.478 235 E HA 0.029 4.376 4.350 -0.004 0.000 0.194 235 E C 0.954 177.401 176.600 -0.255 0.000 1.045 235 E CA -0.180 56.116 56.400 -0.174 0.000 0.868 235 E CB 0.094 29.702 29.700 -0.153 0.000 0.885 235 E HN 0.378 nan 8.360 nan 0.000 0.505 236 M N 1.212 120.624 119.600 -0.313 0.000 2.219 236 M HA 0.211 4.688 4.480 -0.004 0.000 0.353 236 M C 0.495 176.602 176.300 -0.323 0.000 1.304 236 M CA 0.064 55.137 55.300 -0.378 0.000 1.115 236 M CB 0.721 33.091 32.600 -0.384 0.000 1.664 236 M HN -0.032 nan 8.290 nan 0.000 0.459 237 G N 2.312 110.959 108.800 -0.255 0.000 2.531 237 G HA2 0.647 4.604 3.960 -0.004 0.000 0.313 237 G HA3 0.647 4.604 3.960 -0.004 0.000 0.313 237 G C -0.694 173.917 174.900 -0.481 0.000 1.238 237 G CA -0.480 44.230 45.100 -0.649 0.000 0.994 237 G HN 0.718 nan 8.290 nan 0.000 0.493 238 T N -3.405 110.830 114.554 -0.531 0.000 2.940 238 T HA 0.478 4.826 4.350 -0.004 0.000 0.288 238 T C 1.618 176.223 174.700 -0.158 0.000 1.045 238 T CA 0.390 62.345 62.100 -0.241 0.000 1.018 238 T CB 1.464 70.231 68.868 -0.170 0.000 1.151 238 T HN 0.750 nan 8.240 nan 0.000 0.529 239 S N 1.118 116.846 115.700 0.047 0.000 2.370 239 S HA -0.218 4.250 4.470 -0.004 0.000 0.226 239 S C 2.044 176.691 174.600 0.079 0.000 1.033 239 S CA 1.365 59.659 58.200 0.156 0.000 1.011 239 S CB -0.845 62.418 63.200 0.104 0.000 0.852 239 S HN 0.694 nan 8.310 nan 0.000 0.457 240 M N 0.082 119.686 119.600 0.008 0.000 2.200 240 M HA -0.000 4.478 4.480 -0.004 0.000 0.265 240 M C 2.083 178.330 176.300 -0.089 0.000 1.066 240 M CA 1.396 56.681 55.300 -0.026 0.000 1.127 240 M CB -0.261 32.326 32.600 -0.022 0.000 1.379 240 M HN 0.458 nan 8.290 nan 0.000 0.420 241 Y N 0.334 120.485 120.300 -0.250 0.000 2.070 241 Y HA -0.335 4.213 4.550 -0.003 0.000 0.280 241 Y C 1.647 177.365 175.900 -0.304 0.000 1.148 241 Y CA 2.037 59.944 58.100 -0.321 0.000 1.125 241 Y CB -0.860 37.342 38.460 -0.430 0.000 0.975 241 Y HN 0.229 nan 8.280 nan 0.000 0.492 242 Y N 1.256 121.420 120.300 -0.226 0.000 2.069 242 Y HA -0.306 4.241 4.550 -0.004 0.000 0.278 242 Y C 2.420 178.012 175.900 -0.515 0.000 1.175 242 Y CA 1.617 59.438 58.100 -0.465 0.000 1.134 242 Y CB -1.232 37.139 38.460 -0.148 0.000 0.965 242 Y HN 0.242 nan 8.280 nan 0.000 0.498 243 D N -0.126 120.238 120.400 -0.061 0.000 2.092 243 D HA -0.205 4.433 4.640 -0.004 0.000 0.193 243 D C 2.379 178.620 176.300 -0.099 0.000 0.994 243 D CA 1.504 55.500 54.000 -0.006 0.000 0.828 243 D CB -0.699 40.133 40.800 0.055 0.000 0.963 243 D HN 0.363 nan 8.370 nan 0.000 0.450 244 I N 0.283 120.693 120.570 -0.267 0.000 2.252 244 I HA -0.220 3.948 4.170 -0.004 0.000 0.245 244 I C 2.148 178.113 176.117 -0.254 0.000 1.102 244 I CA 0.717 61.777 61.300 -0.400 0.000 1.385 244 I CB 0.197 37.867 38.000 -0.550 0.000 1.064 244 I HN -0.164 nan 8.210 nan 0.000 0.414 245 V N 0.192 119.870 119.914 -0.393 0.000 2.515 245 V HA -0.307 3.811 4.120 -0.004 0.000 0.250 245 V C 1.718 177.758 176.094 -0.089 0.000 1.058 245 V CA 1.958 64.060 62.300 -0.329 0.000 1.064 245 V CB -1.003 30.457 31.823 -0.604 0.000 0.675 245 V HN 0.518 nan 8.190 nan 0.000 0.461 246 H N -0.756 118.281 119.070 -0.054 0.000 2.543 246 H HA 0.118 4.673 4.556 -0.003 0.000 0.269 246 H C 0.833 176.192 175.328 0.052 0.000 1.005 246 H CA -0.211 55.843 56.048 0.009 0.000 1.146 246 H CB 0.024 29.802 29.762 0.027 0.000 1.353 246 H HN 0.425 nan 8.280 nan 0.000 0.595 247 Q N 0.642 120.554 119.800 0.188 0.000 2.481 247 Q HA -0.201 4.136 4.340 -0.004 0.000 0.272 247 Q C -0.379 175.765 176.000 0.240 0.000 1.157 247 Q CA 0.272 56.214 55.803 0.231 0.000 0.935 247 Q CB -0.591 28.234 28.738 0.145 0.000 1.338 247 Q HN 0.473 nan 8.270 nan 0.000 0.494 248 Q N -0.297 119.652 119.800 0.248 0.000 2.199 248 Q HA 0.440 4.777 4.340 -0.004 0.000 0.232 248 Q C -2.114 174.019 176.000 0.222 0.000 0.969 248 Q CA -2.052 53.877 55.803 0.210 0.000 0.925 248 Q CB 0.199 29.057 28.738 0.199 0.000 1.198 248 Q HN 0.003 nan 8.270 nan 0.000 0.494 249 P HA 0.095 nan 4.420 nan 0.000 0.269 249 P C -0.582 176.728 177.300 0.016 0.000 1.215 249 P CA 0.207 63.283 63.100 -0.040 0.000 0.780 249 P CB 0.432 31.892 31.700 -0.400 0.000 0.898 250 L N 1.418 122.679 121.223 0.063 0.000 2.332 250 L HA 0.363 4.701 4.340 -0.004 0.000 0.269 250 L C 1.280 178.244 176.870 0.157 0.000 1.016 250 L CA -0.574 54.330 54.840 0.106 0.000 0.809 250 L CB 0.825 42.929 42.059 0.075 0.000 1.280 250 L HN 0.350 nan 8.230 nan 0.000 0.447 251 E N 0.367 120.691 120.200 0.206 0.000 2.416 251 E HA -0.073 4.274 4.350 -0.004 0.000 0.189 251 E C 1.596 178.284 176.600 0.147 0.000 1.091 251 E CA 0.015 56.539 56.400 0.208 0.000 0.889 251 E CB 0.404 30.180 29.700 0.127 0.000 1.015 251 E HN 0.539 nan 8.360 nan 0.000 0.479 252 V N 1.579 121.577 119.914 0.140 0.000 2.278 252 V HA -0.330 3.788 4.120 -0.004 0.000 0.251 252 V C 1.941 178.156 176.094 0.202 0.000 1.062 252 V CA 2.052 64.449 62.300 0.161 0.000 1.038 252 V CB -0.036 31.878 31.823 0.152 0.000 0.646 252 V HN 0.236 nan 8.190 nan 0.000 0.447 253 E N 0.444 120.756 120.200 0.187 0.000 2.153 253 E HA -0.113 4.235 4.350 -0.004 0.000 0.194 253 E C 2.133 178.833 176.600 0.168 0.000 0.988 253 E CA 1.546 58.061 56.400 0.193 0.000 0.811 253 E CB -0.636 29.156 29.700 0.153 0.000 0.746 253 E HN 0.752 nan 8.360 nan 0.000 0.466 254 A N -0.170 122.724 122.820 0.124 0.000 2.178 254 A HA 0.130 4.447 4.320 -0.004 0.000 0.211 254 A C 1.878 179.491 177.584 0.048 0.000 1.157 254 A CA 0.307 52.384 52.037 0.065 0.000 0.780 254 A CB 0.018 19.019 19.000 0.003 0.000 0.828 254 A HN 0.108 nan 8.150 nan 0.000 0.476 255 I N -2.418 118.213 120.570 0.101 0.000 4.716 255 I HA 0.020 4.188 4.170 -0.004 0.000 0.240 255 I C 2.179 178.392 176.117 0.161 0.000 1.006 255 I CA 0.012 61.367 61.300 0.092 0.000 1.875 255 I CB -0.541 37.498 38.000 0.065 0.000 1.537 255 I HN 0.045 nan 8.210 nan 0.000 0.461 256 Q N 1.489 121.393 119.800 0.174 0.000 2.096 256 Q HA -0.128 4.210 4.340 -0.004 0.000 0.204 256 Q C 2.055 178.117 176.000 0.103 0.000 0.982 256 Q CA 2.128 58.052 55.803 0.202 0.000 0.850 256 Q CB -0.726 28.180 28.738 0.281 0.000 0.901 256 Q HN 0.679 nan 8.270 nan 0.000 0.422 257 G N -0.342 108.519 108.800 0.101 0.000 2.418 257 G HA2 -0.278 3.680 3.960 -0.004 0.000 0.217 257 G HA3 -0.278 3.680 3.960 -0.004 0.000 0.217 257 G C 1.252 176.140 174.900 -0.021 0.000 1.158 257 G CA 0.623 45.623 45.100 -0.166 0.000 0.771 257 G HN 0.390 nan 8.290 nan 0.000 0.545 258 F N 1.423 121.360 119.950 -0.021 0.000 2.102 258 F HA -0.037 4.488 4.527 -0.004 0.000 0.298 258 F C 2.470 178.287 175.800 0.029 0.000 1.105 258 F CA 1.372 59.368 58.000 -0.007 0.000 1.239 258 F CB -0.144 38.839 39.000 -0.028 0.000 0.991 258 F HN 0.108 nan 8.300 nan 0.000 0.474 259 I N -0.763 119.885 120.570 0.129 0.000 2.179 259 I HA -0.336 3.832 4.170 -0.004 0.000 0.242 259 I C 2.295 178.436 176.117 0.039 0.000 1.088 259 I CA 1.817 63.193 61.300 0.126 0.000 1.357 259 I CB -0.878 37.271 38.000 0.249 0.000 1.051 259 I HN 0.241 nan 8.210 nan 0.000 0.409 260 Y N 1.934 122.140 120.300 -0.155 0.000 2.151 260 Y HA -0.296 4.252 4.550 -0.004 0.000 0.284 260 Y C 2.711 178.478 175.900 -0.222 0.000 1.166 260 Y CA 1.708 59.664 58.100 -0.241 0.000 1.163 260 Y CB -0.177 37.908 38.460 -0.626 0.000 0.974 260 Y HN -0.011 nan 8.280 nan 0.000 0.511 261 R N -0.423 119.994 120.500 -0.138 0.000 2.090 261 R HA -0.083 4.255 4.340 -0.004 0.000 0.228 261 R C 2.329 178.480 176.300 -0.249 0.000 1.110 261 R CA 1.089 57.078 56.100 -0.184 0.000 0.973 261 R CB -0.172 30.057 30.300 -0.118 0.000 0.869 261 R HN 0.277 nan 8.270 nan 0.000 0.440 262 R N 0.632 120.959 120.500 -0.289 0.000 2.091 262 R HA -0.081 4.257 4.340 -0.004 0.000 0.238 262 R C 2.189 178.472 176.300 -0.029 0.000 1.136 262 R CA 1.507 57.516 56.100 -0.152 0.000 0.959 262 R CB -0.696 29.573 30.300 -0.051 0.000 0.856 262 R HN 0.219 nan 8.270 nan 0.000 0.437 263 A N 1.596 124.367 122.820 -0.081 0.000 1.933 263 A HA -0.142 4.175 4.320 -0.004 0.000 0.218 263 A C 2.183 179.680 177.584 -0.145 0.000 1.175 263 A CA 1.124 53.113 52.037 -0.079 0.000 0.628 263 A CB -0.218 18.707 19.000 -0.124 0.000 0.814 263 A HN 0.117 nan 8.150 nan 0.000 0.444 264 R N -0.440 119.900 120.500 -0.267 0.000 2.093 264 R HA -0.030 4.308 4.340 -0.004 0.000 0.224 264 R C 1.800 177.994 176.300 -0.176 0.000 1.101 264 R CA 1.320 57.273 56.100 -0.245 0.000 0.979 264 R CB -0.702 29.416 30.300 -0.304 0.000 0.877 264 R HN 0.692 nan 8.270 nan 0.000 0.441 265 E N -0.079 119.995 120.200 -0.210 0.000 2.209 265 E HA -0.148 4.199 4.350 -0.004 0.000 0.196 265 E C 1.057 177.446 176.600 -0.352 0.000 0.993 265 E CA 0.924 57.155 56.400 -0.281 0.000 0.819 265 E CB 0.068 29.555 29.700 -0.354 0.000 0.745 265 E HN 0.404 nan 8.360 nan 0.000 0.477 266 H N -0.536 118.475 119.070 -0.099 0.000 2.594 266 H HA 0.177 4.731 4.556 -0.004 0.000 0.279 266 H C 0.039 175.321 175.328 -0.076 0.000 1.042 266 H CA 0.012 56.011 56.048 -0.082 0.000 1.177 266 H CB 0.459 30.169 29.762 -0.085 0.000 1.524 266 H HN 0.096 nan 8.280 nan 0.000 0.537 267 N N 1.134 119.826 118.700 -0.012 0.000 2.727 267 N HA -0.182 4.556 4.740 -0.004 0.000 0.249 267 N C -0.369 175.131 175.510 -0.017 0.000 1.048 267 N CA 0.395 53.428 53.050 -0.029 0.000 0.714 267 N CB -1.411 37.061 38.487 -0.025 0.000 0.959 267 N HN 0.379 nan 8.380 nan 0.000 0.544 268 L N 0.010 121.221 121.223 -0.020 0.000 2.399 268 L HA 0.277 4.615 4.340 -0.004 0.000 0.266 268 L C 0.816 177.670 176.870 -0.027 0.000 1.114 268 L CA -0.526 54.305 54.840 -0.016 0.000 0.804 268 L CB 0.713 42.767 42.059 -0.009 0.000 1.146 268 L HN -0.043 nan 8.230 nan 0.000 0.451 269 D N 0.985 121.379 120.400 -0.011 0.000 2.347 269 D HA 0.213 4.851 4.640 -0.004 0.000 0.235 269 D C -0.337 175.972 176.300 0.014 0.000 1.149 269 D CA -0.133 53.863 54.000 -0.007 0.000 0.850 269 D CB 0.765 41.563 40.800 -0.003 0.000 1.061 269 D HN 0.523 nan 8.370 nan 0.000 0.487 270 T N 2.067 116.630 114.554 0.015 0.000 3.410 270 T HA 0.327 4.675 4.350 -0.004 0.000 0.328 270 T C -2.004 172.732 174.700 0.060 0.000 1.567 270 T CA -1.327 60.811 62.100 0.063 0.000 1.626 270 T CB 1.405 70.320 68.868 0.077 0.000 0.939 270 T HN 0.124 nan 8.240 nan 0.000 0.656 271 P HA -0.132 nan 4.420 nan 0.000 0.217 271 P C 0.728 177.955 177.300 -0.121 0.000 1.150 271 P CA 1.078 64.094 63.100 -0.140 0.000 0.832 271 P CB 0.002 31.502 31.700 -0.334 0.000 0.787 272 Y N -0.112 120.250 120.300 0.102 0.000 2.163 272 Y HA -0.092 4.456 4.550 -0.004 0.000 0.288 272 Y C 2.656 178.645 175.900 0.148 0.000 1.136 272 Y CA 0.697 58.866 58.100 0.115 0.000 1.147 272 Y CB -1.617 36.901 38.460 0.097 0.000 0.987 272 Y HN -0.160 nan 8.280 nan 0.000 0.509 273 L N 0.480 121.891 121.223 0.313 0.000 2.042 273 L HA -0.220 4.117 4.340 -0.004 0.000 0.210 273 L C 1.534 178.596 176.870 0.321 0.000 1.076 273 L CA 2.049 57.061 54.840 0.288 0.000 0.749 273 L CB -0.767 41.445 42.059 0.255 0.000 0.893 273 L HN 0.071 nan 8.230 nan 0.000 0.432 274 D N -1.042 119.530 120.400 0.287 0.000 2.144 274 D HA -0.140 4.497 4.640 -0.004 0.000 0.200 274 D C 2.114 178.547 176.300 0.220 0.000 0.978 274 D CA 1.733 55.940 54.000 0.346 0.000 0.833 274 D CB -0.355 40.599 40.800 0.257 0.000 0.961 274 D HN 0.386 nan 8.370 nan 0.000 0.470 275 T N 0.721 115.375 114.554 0.165 0.000 2.708 275 T HA -0.111 4.236 4.350 -0.004 0.000 0.266 275 T C 1.980 176.811 174.700 0.219 0.000 1.037 275 T CA 0.530 62.714 62.100 0.140 0.000 1.146 275 T CB -0.163 68.809 68.868 0.175 0.000 0.865 275 T HN 0.019 nan 8.240 nan 0.000 0.435 276 I N 0.170 120.900 120.570 0.265 0.000 2.202 276 I HA -0.083 4.084 4.170 -0.004 0.000 0.242 276 I C 2.050 178.303 176.117 0.226 0.000 1.091 276 I CA 0.955 62.418 61.300 0.272 0.000 1.368 276 I CB -0.663 37.481 38.000 0.240 0.000 1.058 276 I HN 0.213 nan 8.210 nan 0.000 0.410 277 Y N 1.163 121.509 120.300 0.077 0.000 2.114 277 Y HA -0.328 4.220 4.550 -0.004 0.000 0.282 277 Y C 2.756 178.589 175.900 -0.112 0.000 1.165 277 Y CA 1.845 59.919 58.100 -0.045 0.000 1.148 277 Y CB -0.732 37.610 38.460 -0.196 0.000 0.972 277 Y HN 0.130 nan 8.280 nan 0.000 0.504 278 S N 0.203 115.739 115.700 -0.274 0.000 2.359 278 S HA -0.223 4.244 4.470 -0.004 0.000 0.223 278 S C 1.822 176.191 174.600 -0.385 0.000 1.039 278 S CA 1.785 59.732 58.200 -0.422 0.000 1.042 278 S CB -0.892 62.067 63.200 -0.403 0.000 0.915 278 S HN 0.452 nan 8.310 nan 0.000 0.439 279 F N 1.498 121.390 119.950 -0.096 0.000 2.134 279 F HA -0.020 4.504 4.527 -0.004 0.000 0.299 279 F C 2.077 177.845 175.800 -0.054 0.000 1.097 279 F CA 0.773 58.742 58.000 -0.050 0.000 1.264 279 F CB -0.733 38.263 39.000 -0.007 0.000 1.001 279 F HN 0.116 nan 8.300 nan 0.000 0.479 280 L N -0.608 120.663 121.223 0.081 0.000 2.156 280 L HA -0.143 4.195 4.340 -0.004 0.000 0.208 280 L C 2.516 179.367 176.870 -0.032 0.000 1.095 280 L CA 1.009 55.875 54.840 0.043 0.000 0.770 280 L CB -0.484 41.602 42.059 0.045 0.000 0.914 280 L HN 0.035 nan 8.230 nan 0.000 0.439 281 R N 0.940 121.259 120.500 -0.302 0.000 2.073 281 R HA -0.038 4.300 4.340 -0.004 0.000 0.229 281 R C 2.213 178.406 176.300 -0.178 0.000 1.120 281 R CA 1.536 57.411 56.100 -0.375 0.000 0.967 281 R CB -0.577 29.186 30.300 -0.896 0.000 0.862 281 R HN 0.205 nan 8.270 nan 0.000 0.436 282 A N -0.005 122.728 122.820 -0.145 0.000 1.883 282 A HA -0.205 4.112 4.320 -0.004 0.000 0.217 282 A C 2.185 179.779 177.584 0.016 0.000 1.186 282 A CA 1.561 53.561 52.037 -0.061 0.000 0.624 282 A CB -1.160 17.819 19.000 -0.035 0.000 0.822 282 A HN 0.616 nan 8.150 nan 0.000 0.444 283 Y N 0.318 120.611 120.300 -0.012 0.000 2.114 283 Y HA -0.322 4.225 4.550 -0.004 0.000 0.282 283 Y C 2.565 178.459 175.900 -0.011 0.000 1.165 283 Y CA 2.654 60.759 58.100 0.008 0.000 1.148 283 Y CB -0.394 38.074 38.460 0.013 0.000 0.972 283 Y HN 0.403 nan 8.280 nan 0.000 0.504 284 Q N -0.031 119.824 119.800 0.091 0.000 2.084 284 Q HA -0.204 4.133 4.340 -0.004 0.000 0.202 284 Q C 2.104 178.036 176.000 -0.115 0.000 0.978 284 Q CA 2.021 57.826 55.803 0.003 0.000 0.844 284 Q CB -0.194 28.577 28.738 0.054 0.000 0.898 284 Q HN 0.495 nan 8.270 nan 0.000 0.426 285 Q N -0.345 119.395 119.800 -0.101 0.000 2.123 285 Q HA -0.092 4.246 4.340 -0.004 0.000 0.199 285 Q C 1.769 177.719 176.000 -0.083 0.000 0.966 285 Q CA 1.469 57.215 55.803 -0.094 0.000 0.845 285 Q CB -0.458 28.222 28.738 -0.097 0.000 0.907 285 Q HN 0.486 nan 8.270 nan 0.000 0.439 286 N N 1.029 119.671 118.700 -0.096 0.000 2.084 286 N HA -0.193 4.545 4.740 -0.004 0.000 0.190 286 N C 1.722 177.203 175.510 -0.049 0.000 1.030 286 N CA 1.270 54.309 53.050 -0.019 0.000 0.849 286 N CB 0.056 38.526 38.487 -0.028 0.000 1.012 286 N HN 0.078 nan 8.380 nan 0.000 0.423 287 E N -0.021 120.024 120.200 -0.259 0.000 2.058 287 E HA -0.134 4.214 4.350 -0.004 0.000 0.194 287 E C 1.922 178.465 176.600 -0.094 0.000 0.997 287 E CA 1.462 57.722 56.400 -0.234 0.000 0.801 287 E CB -0.823 28.643 29.700 -0.389 0.000 0.746 287 E HN 0.517 nan 8.360 nan 0.000 0.450 288 G N -0.409 108.328 108.800 -0.105 0.000 2.440 288 G HA2 -0.311 3.646 3.960 -0.004 0.000 0.218 288 G HA3 -0.311 3.646 3.960 -0.004 0.000 0.218 288 G C 1.629 176.520 174.900 -0.016 0.000 1.154 288 G CA 1.305 46.358 45.100 -0.077 0.000 0.767 288 G HN 0.400 nan 8.290 nan 0.000 0.552 289 H N 0.051 119.022 119.070 -0.164 0.000 2.395 289 H HA 0.046 4.600 4.556 -0.003 0.000 0.299 289 H C 1.483 176.602 175.328 -0.348 0.000 1.070 289 H CA 1.132 57.020 56.048 -0.268 0.000 1.356 289 H CB -0.067 29.478 29.762 -0.362 0.000 1.401 289 H HN 0.406 nan 8.280 nan 0.000 0.524 290 H N -0.921 118.050 119.070 -0.165 0.000 2.507 290 H HA 0.049 4.603 4.556 -0.004 0.000 0.294 290 H C 1.101 176.181 175.328 -0.413 0.000 1.064 290 H CA 0.362 56.255 56.048 -0.259 0.000 1.138 290 H CB -0.067 29.586 29.762 -0.182 0.000 1.515 290 H HN 0.521 nan 8.280 nan 0.000 0.547 291 H N 1.931 120.816 119.070 -0.308 0.000 2.253 291 H HA -0.154 4.401 4.556 -0.003 0.000 0.299 291 H C 0.581 175.583 175.328 -0.544 0.000 1.064 291 H CA 2.016 57.867 56.048 -0.328 0.000 1.264 291 H CB -0.125 29.547 29.762 -0.150 0.000 1.371 291 H HN 0.602 nan 8.280 nan 0.000 0.493 292 H N 0.000 118.946 119.070 -0.206 0.000 2.539 292 H HA 0.000 4.554 4.556 -0.003 0.000 0.296 292 H CA 0.000 55.894 56.048 -0.257 0.000 1.023 292 H CB 0.000 29.689 29.762 -0.121 0.000 1.292 292 H HN 0.000 nan 8.280 nan 0.000 0.496