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 1sjc_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLSGVELRR VQMPLVAPFR TSFGTQSVRE LLLLRAVTPA GEGWGECVTM DATA SEQUENCE AGPLYSSEYN DGAEHVLRHY LIPALLAAED ITAAKVTPLL AKFKGHRMAK DATA SEQUENCE GALEMAVLDA ELRAHERSFA AELGSVRDSV PCGVSVGIMD TIPQLLDVVG DATA SEQUENCE GYLDEGYVRI KLKIEPGWDV EPVRAVRERF GDDVLLQVDA NTAYTLGDAP DATA SEQUENCE QLARLDPFGL LLIEQPLEEE DVLGHAELAR RIQTPICLDE SIVSARAAAD DATA SEQUENCE AIKLGAVQIV NIKPGRVGGY LEARRVHDVC AAHGIPVWCG GMIETGLGRA DATA SEQUENCE ANVALASLPN FTLPGDTSAS DRFYKTDITE PFVLSGGHLP VPTGPGLGVA DATA SEQUENCE PIPELLDEVT TAKVWIG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.310 176.300 0.017 0.000 1.140 1 M CA 0.000 55.315 55.300 0.025 0.000 0.988 1 M CB 0.000 32.616 32.600 0.027 0.000 1.302 2 K N 1.667 122.075 120.400 0.013 0.000 2.565 2 K HA 0.531 4.850 4.320 -0.000 0.000 0.249 2 K C -2.234 174.370 176.600 0.008 0.000 0.958 2 K CA -0.634 55.659 56.287 0.010 0.000 0.806 2 K CB 1.914 34.421 32.500 0.011 0.000 1.194 2 K HN 0.598 nan 8.250 nan 0.000 0.434 3 L N 3.669 124.891 121.223 -0.002 0.000 2.313 3 L HA 0.207 4.547 4.340 -0.000 0.000 0.282 3 L C 0.667 177.534 176.870 -0.005 0.000 1.092 3 L CA 0.775 55.606 54.840 -0.015 0.000 0.831 3 L CB 1.294 43.329 42.059 -0.040 0.000 1.159 3 L HN 0.800 nan 8.230 nan 0.000 0.442 4 S N 2.321 118.036 115.700 0.025 0.000 2.456 4 S HA 0.541 5.010 4.470 -0.000 0.000 0.224 4 S C 0.603 175.259 174.600 0.094 0.000 1.035 4 S CA 0.385 58.642 58.200 0.096 0.000 0.940 4 S CB 0.207 63.498 63.200 0.153 0.000 0.799 4 S HN 0.942 nan 8.310 nan 0.000 0.508 5 G N 0.007 108.760 108.800 -0.077 0.000 2.315 5 G HA2 0.439 4.399 3.960 -0.000 0.000 0.294 5 G HA3 0.439 4.399 3.960 -0.000 0.000 0.294 5 G C -2.163 172.376 174.900 -0.601 0.000 1.300 5 G CA -0.619 44.117 45.100 -0.608 0.000 0.843 5 G HN 0.178 nan 8.290 nan 0.000 0.527 6 V N 0.114 119.469 119.914 -0.932 0.000 2.851 6 V HA 0.622 4.741 4.120 -0.000 0.000 0.307 6 V C -0.543 175.290 176.094 -0.435 0.000 1.129 6 V CA -0.721 61.286 62.300 -0.488 0.000 0.932 6 V CB 1.855 33.475 31.823 -0.339 0.000 1.024 6 V HN 0.989 nan 8.190 nan 0.000 0.426 7 E N 4.015 124.147 120.200 -0.112 0.000 2.113 7 E HA 0.538 4.887 4.350 -0.000 0.000 0.273 7 E C -1.615 174.980 176.600 -0.007 0.000 0.924 7 E CA -0.712 55.719 56.400 0.052 0.000 0.764 7 E CB 1.662 31.498 29.700 0.227 0.000 1.104 7 E HN 0.558 nan 8.360 nan 0.000 0.406 8 L N 5.020 126.236 121.223 -0.013 0.000 2.276 8 L HA 0.402 4.741 4.340 -0.000 0.000 0.286 8 L C -0.131 176.767 176.870 0.047 0.000 1.061 8 L CA 0.029 54.867 54.840 -0.002 0.000 0.807 8 L CB 0.854 42.883 42.059 -0.051 0.000 1.177 8 L HN 0.563 nan 8.230 nan 0.000 0.429 9 R N 3.982 124.527 120.500 0.075 0.000 2.740 9 R HA 0.602 4.941 4.340 -0.000 0.000 0.282 9 R C -0.911 175.429 176.300 0.067 0.000 0.969 9 R CA -1.019 55.134 56.100 0.088 0.000 0.918 9 R CB 2.107 32.491 30.300 0.140 0.000 1.175 9 R HN 0.560 nan 8.270 nan 0.000 0.464 10 R N 1.079 121.612 120.500 0.054 0.000 2.393 10 R HA 0.504 4.844 4.340 -0.000 0.000 0.310 10 R C -0.843 175.480 176.300 0.038 0.000 0.968 10 R CA -0.696 55.431 56.100 0.045 0.000 0.867 10 R CB 1.952 32.277 30.300 0.042 0.000 1.124 10 R HN 0.202 nan 8.270 nan 0.000 0.450 11 V N 2.376 122.308 119.914 0.030 0.000 2.735 11 V HA 0.349 4.468 4.120 -0.000 0.000 0.310 11 V C -0.520 175.581 176.094 0.011 0.000 1.061 11 V CA -0.852 61.454 62.300 0.010 0.000 0.913 11 V CB 1.981 33.795 31.823 -0.014 0.000 1.005 11 V HN 0.682 nan 8.190 nan 0.000 0.428 12 Q N 3.140 122.943 119.800 0.006 0.000 2.330 12 Q HA 0.742 5.082 4.340 -0.000 0.000 0.269 12 Q C -1.491 174.514 176.000 0.008 0.000 1.022 12 Q CA -0.607 55.209 55.803 0.021 0.000 0.796 12 Q CB 2.063 30.820 28.738 0.033 0.000 1.271 12 Q HN 0.757 nan 8.270 nan 0.000 0.450 13 M N 5.237 124.858 119.600 0.036 0.000 2.151 13 M HA 0.417 4.897 4.480 -0.000 0.000 0.290 13 M C -2.468 173.940 176.300 0.179 0.000 0.965 13 M CA -1.931 53.398 55.300 0.049 0.000 0.930 13 M CB 2.321 34.840 32.600 -0.136 0.000 1.560 13 M HN 0.342 nan 8.290 nan 0.000 0.438 14 P HA 0.199 nan 4.420 nan 0.000 0.275 14 P C -1.005 176.434 177.300 0.231 0.000 1.227 14 P CA -0.514 62.684 63.100 0.163 0.000 0.781 14 P CB 0.532 32.300 31.700 0.114 0.000 0.906 15 L N 3.342 124.673 121.223 0.180 0.000 2.395 15 L HA 0.069 4.409 4.340 -0.000 0.000 0.269 15 L C 1.763 178.715 176.870 0.138 0.000 1.133 15 L CA 0.128 55.067 54.840 0.164 0.000 0.812 15 L CB 0.698 42.854 42.059 0.162 0.000 1.125 15 L HN 0.164 nan 8.230 nan 0.000 0.452 16 V N 2.334 122.319 119.914 0.120 0.000 2.427 16 V HA 0.003 4.122 4.120 -0.000 0.000 0.248 16 V C 0.713 176.847 176.094 0.067 0.000 1.051 16 V CA 1.556 63.905 62.300 0.081 0.000 1.048 16 V CB -0.274 31.576 31.823 0.045 0.000 0.666 16 V HN 0.837 nan 8.190 nan 0.000 0.456 17 A N -0.684 122.185 122.820 0.083 0.000 2.459 17 A HA 0.700 5.019 4.320 -0.000 0.000 0.296 17 A C -3.005 174.667 177.584 0.146 0.000 1.039 17 A CA -1.325 50.765 52.037 0.088 0.000 0.698 17 A CB 1.161 20.199 19.000 0.063 0.000 1.261 17 A HN 0.089 nan 8.150 nan 0.000 0.405 18 P HA 0.110 nan 4.420 nan 0.000 0.261 18 P C -0.930 176.501 177.300 0.218 0.000 1.173 18 P CA 0.587 63.770 63.100 0.138 0.000 0.760 18 P CB 0.016 31.754 31.700 0.063 0.000 0.783 19 F N 4.417 124.392 119.950 0.041 0.000 2.332 19 F HA 0.376 4.902 4.527 -0.000 0.000 0.368 19 F C 0.608 176.379 175.800 -0.048 0.000 1.110 19 F CA -1.088 56.935 58.000 0.038 0.000 1.087 19 F CB 0.651 39.728 39.000 0.128 0.000 1.235 19 F HN 0.120 nan 8.300 nan 0.000 0.470 20 R N 4.221 124.390 120.500 -0.552 0.000 2.255 20 R HA 0.516 4.856 4.340 -0.000 0.000 0.326 20 R C -0.379 175.466 176.300 -0.760 0.000 0.986 20 R CA -0.151 55.617 56.100 -0.553 0.000 0.847 20 R CB 0.855 30.937 30.300 -0.363 0.000 1.111 20 R HN 0.769 nan 8.270 nan 0.000 0.452 21 T N -0.481 113.627 114.554 -0.743 0.000 2.905 21 T HA 0.157 4.507 4.350 -0.000 0.000 0.283 21 T C 1.183 175.584 174.700 -0.498 0.000 1.031 21 T CA -0.264 61.401 62.100 -0.725 0.000 1.002 21 T CB 1.445 69.613 68.868 -1.167 0.000 1.200 21 T HN 0.506 nan 8.240 nan 0.000 0.560 22 S N -0.022 115.483 115.700 -0.325 0.000 2.507 22 S HA -0.056 4.414 4.470 -0.000 0.000 0.235 22 S C 1.341 175.905 174.600 -0.061 0.000 0.988 22 S CA 0.689 58.801 58.200 -0.146 0.000 0.944 22 S CB -1.195 61.977 63.200 -0.046 0.000 0.762 22 S HN 0.796 nan 8.310 nan 0.000 0.526 23 F N -0.210 119.714 119.950 -0.042 0.000 2.727 23 F HA 0.680 5.206 4.527 -0.000 0.000 0.302 23 F C 0.844 176.619 175.800 -0.041 0.000 1.097 23 F CA -0.198 57.785 58.000 -0.028 0.000 1.330 23 F CB -0.071 38.936 39.000 0.012 0.000 1.084 23 F HN 0.410 nan 8.300 nan 0.000 0.578 24 G N 0.202 108.920 108.800 -0.137 0.000 2.347 24 G HA2 0.236 4.196 3.960 -0.000 0.000 0.341 24 G HA3 0.236 4.196 3.960 -0.000 0.000 0.341 24 G C -1.282 173.498 174.900 -0.200 0.000 1.287 24 G CA -0.590 44.456 45.100 -0.091 0.000 0.984 24 G HN 0.166 nan 8.290 nan 0.000 0.526 25 T N 0.017 114.509 114.554 -0.103 0.000 2.925 25 T HA 0.714 5.064 4.350 -0.000 0.000 0.285 25 T C -0.149 174.549 174.700 -0.003 0.000 1.021 25 T CA -0.223 61.820 62.100 -0.095 0.000 1.042 25 T CB 1.772 70.591 68.868 -0.082 0.000 1.037 25 T HN 0.772 nan 8.240 nan 0.000 0.481 26 Q N 0.545 120.368 119.800 0.038 0.000 2.280 26 Q HA 0.427 4.767 4.340 -0.000 0.000 0.259 26 Q C -0.448 175.628 176.000 0.127 0.000 0.964 26 Q CA -0.426 55.438 55.803 0.102 0.000 0.844 26 Q CB 1.254 30.086 28.738 0.157 0.000 1.334 26 Q HN 0.622 nan 8.270 nan 0.000 0.423 27 S N 1.609 117.369 115.700 0.100 0.000 2.497 27 S HA 0.238 4.708 4.470 -0.000 0.000 0.221 27 S C 0.173 174.838 174.600 0.108 0.000 1.037 27 S CA 0.107 58.367 58.200 0.100 0.000 0.920 27 S CB 0.830 64.073 63.200 0.073 0.000 0.800 27 S HN 0.443 nan 8.310 nan 0.000 0.505 28 V N 1.260 121.235 119.914 0.102 0.000 3.074 28 V HA 0.555 4.675 4.120 -0.000 0.000 0.314 28 V C -0.500 175.658 176.094 0.107 0.000 1.117 28 V CA -0.981 61.383 62.300 0.107 0.000 1.014 28 V CB 2.125 34.002 31.823 0.089 0.000 1.057 28 V HN 0.050 nan 8.190 nan 0.000 0.438 29 R N 1.893 122.466 120.500 0.123 0.000 2.422 29 R HA 0.390 4.730 4.340 -0.000 0.000 0.307 29 R C -0.979 175.374 176.300 0.087 0.000 1.004 29 R CA -0.347 55.819 56.100 0.110 0.000 0.882 29 R CB 1.496 31.892 30.300 0.160 0.000 1.164 29 R HN 0.840 nan 8.270 nan 0.000 0.489 30 E N 5.454 125.698 120.200 0.073 0.000 2.227 30 E HA 0.365 4.715 4.350 -0.000 0.000 0.282 30 E C -0.293 176.340 176.600 0.055 0.000 1.015 30 E CA -0.496 55.940 56.400 0.061 0.000 0.823 30 E CB 1.486 31.225 29.700 0.064 0.000 1.081 30 E HN 0.323 nan 8.360 nan 0.000 0.396 31 L N 1.208 122.458 121.223 0.044 0.000 2.277 31 L HA 0.640 4.979 4.340 -0.000 0.000 0.254 31 L C -1.034 175.862 176.870 0.043 0.000 1.044 31 L CA -1.338 53.526 54.840 0.040 0.000 0.842 31 L CB 0.827 42.903 42.059 0.028 0.000 1.422 31 L HN 0.294 nan 8.230 nan 0.000 0.422 32 L N 1.509 122.760 121.223 0.047 0.000 2.406 32 L HA 0.649 4.989 4.340 -0.000 0.000 0.272 32 L C -1.014 175.899 176.870 0.073 0.000 0.980 32 L CA -0.051 54.821 54.840 0.052 0.000 0.831 32 L CB 1.652 43.736 42.059 0.041 0.000 1.253 32 L HN 0.443 nan 8.230 nan 0.000 0.406 33 L N 4.884 126.167 121.223 0.100 0.000 2.333 33 L HA 0.669 5.008 4.340 -0.000 0.000 0.269 33 L C -1.050 175.916 176.870 0.161 0.000 1.010 33 L CA -0.924 54.017 54.840 0.167 0.000 0.818 33 L CB 2.195 44.396 42.059 0.237 0.000 1.306 33 L HN 0.419 nan 8.230 nan 0.000 0.430 34 L N 1.885 123.209 121.223 0.169 0.000 2.409 34 L HA 0.592 4.932 4.340 -0.000 0.000 0.272 34 L C -0.524 176.245 176.870 -0.167 0.000 0.980 34 L CA -0.611 54.240 54.840 0.019 0.000 0.826 34 L CB 2.120 44.170 42.059 -0.016 0.000 1.268 34 L HN 0.556 nan 8.230 nan 0.000 0.407 35 R N 2.560 122.836 120.500 -0.374 0.000 2.272 35 R HA 0.641 4.981 4.340 -0.000 0.000 0.323 35 R C -0.416 175.636 176.300 -0.414 0.000 1.002 35 R CA -0.330 55.299 56.100 -0.785 0.000 0.900 35 R CB 1.341 31.016 30.300 -1.042 0.000 1.151 35 R HN 0.836 nan 8.270 nan 0.000 0.507 36 A N 3.854 126.453 122.820 -0.369 0.000 2.409 36 A HA 0.317 4.637 4.320 -0.000 0.000 0.267 36 A C -0.361 177.139 177.584 -0.140 0.000 1.127 36 A CA -0.340 51.578 52.037 -0.197 0.000 0.795 36 A CB 0.915 19.837 19.000 -0.130 0.000 1.061 36 A HN 0.490 nan 8.150 nan 0.000 0.502 37 V N 4.246 124.136 119.914 -0.041 0.000 2.334 37 V HA 0.445 4.565 4.120 -0.000 0.000 0.281 37 V C 0.420 176.542 176.094 0.046 0.000 1.016 37 V CA -0.072 62.257 62.300 0.048 0.000 0.832 37 V CB 1.172 33.139 31.823 0.240 0.000 0.999 37 V HN 1.071 nan 8.190 nan 0.000 0.439 38 T N 3.443 118.008 114.554 0.019 0.000 2.950 38 T HA 0.492 4.842 4.350 -0.000 0.000 0.288 38 T C -1.912 172.800 174.700 0.021 0.000 1.035 38 T CA -2.138 59.974 62.100 0.020 0.000 1.028 38 T CB 1.937 70.810 68.868 0.009 0.000 1.109 38 T HN 0.335 nan 8.240 nan 0.000 0.514 39 P HA -0.022 nan 4.420 nan 0.000 0.219 39 P C 1.343 178.645 177.300 0.003 0.000 1.146 39 P CA 1.007 64.114 63.100 0.011 0.000 0.808 39 P CB -0.239 31.466 31.700 0.009 0.000 0.779 40 A N -1.002 121.818 122.820 0.000 0.000 1.861 40 A HA 0.444 4.764 4.320 -0.000 0.000 0.212 40 A C 1.383 178.967 177.584 -0.001 0.000 1.199 40 A CA 1.622 53.655 52.037 -0.006 0.000 0.613 40 A CB -0.823 18.168 19.000 -0.015 0.000 0.846 40 A HN 0.364 nan 8.150 nan 0.000 0.446 41 G N -1.609 107.193 108.800 0.003 0.000 2.428 41 G HA2 0.480 4.440 3.960 -0.000 0.000 0.305 41 G HA3 0.480 4.440 3.960 -0.000 0.000 0.305 41 G C -1.641 173.257 174.900 -0.003 0.000 1.260 41 G CA -0.573 44.532 45.100 0.008 0.000 0.853 41 G HN 0.210 nan 8.290 nan 0.000 0.480 42 E N -1.156 119.042 120.200 -0.003 0.000 2.222 42 E HA 0.603 4.952 4.350 -0.000 0.000 0.267 42 E C -0.346 176.220 176.600 -0.056 0.000 0.963 42 E CA -0.734 55.626 56.400 -0.066 0.000 0.837 42 E CB 2.223 31.884 29.700 -0.065 0.000 1.183 42 E HN 0.775 nan 8.360 nan 0.000 0.403 43 G N 1.094 109.783 108.800 -0.186 0.000 2.719 43 G HA2 0.466 4.426 3.960 -0.000 0.000 0.298 43 G HA3 0.466 4.426 3.960 -0.000 0.000 0.298 43 G C -1.973 172.742 174.900 -0.309 0.000 1.411 43 G CA -0.678 44.363 45.100 -0.099 0.000 0.991 43 G HN 0.336 nan 8.290 nan 0.000 0.509 44 W N 0.515 121.825 121.300 0.017 0.000 2.606 44 W HA 0.694 5.354 4.660 -0.001 0.000 0.332 44 W C 0.387 176.913 176.519 0.011 0.000 1.052 44 W CA -0.450 56.898 57.345 0.005 0.000 1.223 44 W CB 2.924 32.370 29.460 -0.022 0.000 1.383 44 W HN 0.804 nan 8.180 nan 0.000 0.524 45 G N 1.298 110.252 108.800 0.258 0.000 2.638 45 G HA2 0.557 4.517 3.960 -0.000 0.000 0.302 45 G HA3 0.557 4.517 3.960 -0.000 0.000 0.302 45 G C -2.010 173.006 174.900 0.193 0.000 1.365 45 G CA -0.677 44.540 45.100 0.195 0.000 0.987 45 G HN 0.384 nan 8.290 nan 0.000 0.495 46 E N 0.354 120.653 120.200 0.165 0.000 2.222 46 E HA 0.476 4.826 4.350 -0.000 0.000 0.267 46 E C -1.001 175.664 176.600 0.108 0.000 0.884 46 E CA -0.691 55.785 56.400 0.127 0.000 0.764 46 E CB 2.188 31.948 29.700 0.101 0.000 1.169 46 E HN 0.498 nan 8.360 nan 0.000 0.413 47 C N 4.493 123.841 119.300 0.079 0.000 2.341 47 C HA 0.334 4.794 4.460 -0.000 0.000 0.338 47 C C 1.606 176.620 174.990 0.041 0.000 1.257 47 C CA -0.439 58.614 59.018 0.059 0.000 1.883 47 C CB 0.093 27.863 27.740 0.049 0.000 2.334 47 C HN 0.729 nan 8.230 nan 0.000 0.524 48 V N 3.435 123.364 119.914 0.025 0.000 3.306 48 V HA 0.125 4.245 4.120 -0.000 0.000 0.264 48 V C 1.190 177.279 176.094 -0.008 0.000 1.149 48 V CA 1.121 63.417 62.300 -0.008 0.000 1.143 48 V CB -1.731 30.066 31.823 -0.043 0.000 0.767 48 V HN 0.973 nan 8.190 nan 0.000 0.476 49 T N -0.742 113.827 114.554 0.025 0.000 2.791 49 T HA 0.402 4.752 4.350 -0.000 0.000 0.323 49 T C -0.201 174.530 174.700 0.051 0.000 1.082 49 T CA 0.134 62.263 62.100 0.048 0.000 1.084 49 T CB 0.981 69.888 68.868 0.066 0.000 0.992 49 T HN 0.416 nan 8.240 nan 0.000 0.547 50 M N 0.266 119.910 119.600 0.074 0.000 2.792 50 M HA 0.601 5.081 4.480 -0.000 0.000 0.290 50 M C 1.929 178.301 176.300 0.120 0.000 1.155 50 M CA -0.784 54.564 55.300 0.079 0.000 0.781 50 M CB 1.041 33.682 32.600 0.067 0.000 1.741 50 M HN 0.768 nan 8.290 nan 0.000 0.473 51 A N 0.189 123.072 122.820 0.105 0.000 1.859 51 A HA 0.063 4.383 4.320 -0.000 0.000 0.218 51 A C 0.994 178.649 177.584 0.118 0.000 1.209 51 A CA 2.097 54.202 52.037 0.113 0.000 0.639 51 A CB -1.313 17.735 19.000 0.079 0.000 0.835 51 A HN 0.823 nan 8.150 nan 0.000 0.450 52 G N -2.224 106.590 108.800 0.022 0.000 2.537 52 G HA2 0.520 4.480 3.960 -0.000 0.000 0.323 52 G HA3 0.520 4.480 3.960 -0.000 0.000 0.323 52 G C -2.928 171.909 174.900 -0.105 0.000 1.207 52 G CA -1.279 43.740 45.100 -0.134 0.000 0.976 52 G HN 0.105 nan 8.290 nan 0.000 0.487 53 P HA 0.202 nan 4.420 nan 0.000 0.225 53 P C 0.566 177.772 177.300 -0.157 0.000 1.813 53 P CA -0.116 62.920 63.100 -0.107 0.000 1.013 53 P CB 0.038 31.667 31.700 -0.118 0.000 1.961 54 L N -0.472 120.612 121.223 -0.231 0.000 2.388 54 L HA 0.087 4.427 4.340 -0.000 0.000 0.209 54 L C 2.297 178.815 176.870 -0.586 0.000 1.061 54 L CA 0.487 55.105 54.840 -0.371 0.000 0.834 54 L CB -0.678 41.188 42.059 -0.321 0.000 1.029 54 L HN 0.080 nan 8.230 nan 0.000 0.473 55 Y N 1.058 120.863 120.300 -0.825 0.000 2.314 55 Y HA 0.058 4.608 4.550 -0.000 0.000 0.294 55 Y C 1.345 177.101 175.900 -0.240 0.000 1.119 55 Y CA 0.433 58.170 58.100 -0.606 0.000 1.179 55 Y CB 0.459 38.644 38.460 -0.459 0.000 1.025 55 Y HN 0.206 nan 8.280 nan 0.000 0.541 56 S N -1.442 114.181 115.700 -0.129 0.000 2.705 56 S HA 0.260 4.730 4.470 -0.000 0.000 0.280 56 S C 0.648 175.220 174.600 -0.046 0.000 1.174 56 S CA -0.237 57.884 58.200 -0.131 0.000 0.823 56 S CB 0.762 63.926 63.200 -0.061 0.000 1.162 56 S HN 0.334 nan 8.310 nan 0.000 0.487 57 S N -0.557 115.121 115.700 -0.036 0.000 2.555 57 S HA 0.127 4.596 4.470 -0.000 0.000 0.230 57 S C 0.263 174.933 174.600 0.117 0.000 0.978 57 S CA 0.128 58.335 58.200 0.013 0.000 0.934 57 S CB -0.691 62.496 63.200 -0.021 0.000 0.766 57 S HN 0.705 nan 8.310 nan 0.000 0.533 58 E N 1.026 121.287 120.200 0.102 0.000 2.301 58 E HA 0.483 4.832 4.350 -0.000 0.000 0.275 58 E C -0.937 175.813 176.600 0.249 0.000 1.030 58 E CA -0.762 55.720 56.400 0.138 0.000 0.852 58 E CB 0.774 30.515 29.700 0.068 0.000 1.060 58 E HN 0.643 nan 8.360 nan 0.000 0.401 59 Y N 0.476 120.797 120.300 0.035 0.000 2.597 59 Y HA 0.383 4.933 4.550 -0.000 0.000 0.340 59 Y C 0.530 176.458 175.900 0.047 0.000 1.097 59 Y CA -1.311 56.807 58.100 0.030 0.000 1.037 59 Y CB 0.238 38.707 38.460 0.015 0.000 1.305 59 Y HN 0.257 nan 8.280 nan 0.000 0.463 60 N N 0.974 119.762 118.700 0.146 0.000 2.027 60 N HA -0.226 4.514 4.740 -0.000 0.000 0.200 60 N C 0.924 176.416 175.510 -0.030 0.000 1.042 60 N CA 2.292 55.377 53.050 0.059 0.000 0.871 60 N CB -0.345 38.201 38.487 0.098 0.000 1.063 60 N HN 0.853 nan 8.380 nan 0.000 0.438 61 D N -0.123 120.272 120.400 -0.007 0.000 2.149 61 D HA -0.077 4.563 4.640 -0.000 0.000 0.198 61 D C 1.895 178.057 176.300 -0.230 0.000 0.990 61 D CA 1.189 55.156 54.000 -0.056 0.000 0.839 61 D CB -0.659 40.198 40.800 0.095 0.000 0.948 61 D HN 0.406 nan 8.370 nan 0.000 0.460 62 G N 0.600 108.995 108.800 -0.676 0.000 2.404 62 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.215 62 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.215 62 G C 1.726 176.512 174.900 -0.190 0.000 1.174 62 G CA 1.205 45.948 45.100 -0.594 0.000 0.780 62 G HN 0.391 nan 8.290 nan 0.000 0.537 63 A N 0.731 123.465 122.820 -0.143 0.000 1.877 63 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 63 A C 2.144 179.702 177.584 -0.042 0.000 1.186 63 A CA 2.077 54.092 52.037 -0.038 0.000 0.620 63 A CB -0.579 18.415 19.000 -0.011 0.000 0.822 63 A HN 0.478 nan 8.150 nan 0.000 0.443 64 E N -1.106 119.071 120.200 -0.038 0.000 2.070 64 E HA -0.304 4.045 4.350 -0.000 0.000 0.197 64 E C 2.050 178.630 176.600 -0.032 0.000 1.004 64 E CA 1.443 57.823 56.400 -0.033 0.000 0.805 64 E CB -0.357 29.338 29.700 -0.009 0.000 0.744 64 E HN 0.785 nan 8.360 nan 0.000 0.451 65 H N -0.033 119.003 119.070 -0.056 0.000 2.353 65 H HA -0.103 4.453 4.556 -0.000 0.000 0.300 65 H C 2.239 177.593 175.328 0.044 0.000 1.090 65 H CA 1.606 57.684 56.048 0.049 0.000 1.327 65 H CB -0.066 29.740 29.762 0.073 0.000 1.383 65 H HN 0.182 nan 8.280 nan 0.000 0.508 66 V N 0.816 120.758 119.914 0.048 0.000 2.427 66 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 66 V C 2.734 178.743 176.094 -0.141 0.000 1.051 66 V CA 1.232 63.496 62.300 -0.059 0.000 1.048 66 V CB -0.467 31.121 31.823 -0.392 0.000 0.666 66 V HN 0.286 nan 8.190 nan 0.000 0.456 67 L N -0.488 120.642 121.223 -0.154 0.000 1.989 67 L HA -0.192 4.147 4.340 -0.000 0.000 0.211 67 L C 2.833 179.549 176.870 -0.257 0.000 1.071 67 L CA 2.040 56.775 54.840 -0.175 0.000 0.749 67 L CB -0.636 41.341 42.059 -0.136 0.000 0.890 67 L HN 0.214 nan 8.230 nan 0.000 0.431 68 R N -0.929 119.365 120.500 -0.343 0.000 2.080 68 R HA -0.173 4.166 4.340 -0.000 0.000 0.236 68 R C 2.266 178.162 176.300 -0.673 0.000 1.137 68 R CA 1.612 57.381 56.100 -0.552 0.000 0.943 68 R CB -0.369 29.452 30.300 -0.799 0.000 0.846 68 R HN 0.510 nan 8.270 nan 0.000 0.431 69 H N -2.219 116.581 119.070 -0.450 0.000 2.520 69 H HA 0.029 4.584 4.556 -0.001 0.000 0.279 69 H C 0.912 175.767 175.328 -0.789 0.000 0.990 69 H CA 1.014 56.664 56.048 -0.663 0.000 1.288 69 H CB 0.360 29.578 29.762 -0.907 0.000 1.446 69 H HN 0.284 nan 8.280 nan 0.000 0.538 70 Y N -0.657 119.431 120.300 -0.354 0.000 2.769 70 Y HA 0.115 4.665 4.550 -0.000 0.000 0.266 70 Y C 2.444 178.015 175.900 -0.549 0.000 1.091 70 Y CA -0.125 57.637 58.100 -0.565 0.000 1.272 70 Y CB 0.019 37.901 38.460 -0.963 0.000 1.469 70 Y HN -0.144 nan 8.280 nan 0.000 0.475 71 L N -0.165 120.877 121.223 -0.303 0.000 2.023 71 L HA -0.115 4.225 4.340 -0.000 0.000 0.205 71 L C 1.987 178.788 176.870 -0.116 0.000 1.073 71 L CA 1.426 56.157 54.840 -0.181 0.000 0.745 71 L CB -0.681 41.303 42.059 -0.125 0.000 0.900 71 L HN 0.189 nan 8.230 nan 0.000 0.435 72 I N 0.141 120.612 120.570 -0.166 0.000 2.127 72 I HA -0.187 3.983 4.170 -0.000 0.000 0.241 72 I C -0.291 175.736 176.117 -0.149 0.000 1.075 72 I CA 1.470 62.669 61.300 -0.168 0.000 1.334 72 I CB -1.478 36.383 38.000 -0.232 0.000 1.040 72 I HN 0.207 nan 8.210 nan 0.000 0.405 73 P HA -0.224 nan 4.420 nan 0.000 0.216 73 P C 1.348 178.618 177.300 -0.049 0.000 1.153 73 P CA 2.122 65.144 63.100 -0.130 0.000 0.858 73 P CB -0.129 31.478 31.700 -0.156 0.000 0.789 74 A N -1.020 121.806 122.820 0.009 0.000 2.067 74 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 74 A C 2.278 179.896 177.584 0.056 0.000 1.158 74 A CA 1.025 53.121 52.037 0.098 0.000 0.661 74 A CB -1.340 17.829 19.000 0.281 0.000 0.801 74 A HN 0.136 nan 8.150 nan 0.000 0.452 75 L N -0.997 120.235 121.223 0.015 0.000 2.102 75 L HA -0.023 4.317 4.340 -0.000 0.000 0.202 75 L C 2.357 179.216 176.870 -0.019 0.000 1.076 75 L CA 0.627 55.468 54.840 0.002 0.000 0.761 75 L CB -0.574 41.477 42.059 -0.014 0.000 0.921 75 L HN 0.340 nan 8.230 nan 0.000 0.444 76 L N 0.211 121.405 121.223 -0.049 0.000 2.129 76 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 76 L C 2.743 179.595 176.870 -0.029 0.000 1.087 76 L CA 1.239 56.045 54.840 -0.056 0.000 0.757 76 L CB -0.784 41.218 42.059 -0.095 0.000 0.896 76 L HN 0.260 nan 8.230 nan 0.000 0.434 77 A N -0.026 122.784 122.820 -0.016 0.000 2.066 77 A HA 0.212 4.531 4.320 -0.000 0.000 0.218 77 A C 1.426 179.012 177.584 0.003 0.000 1.157 77 A CA 0.725 52.760 52.037 -0.004 0.000 0.670 77 A CB -0.430 18.575 19.000 0.008 0.000 0.804 77 A HN 0.311 nan 8.150 nan 0.000 0.453 78 A N -0.036 122.787 122.820 0.005 0.000 2.440 78 A HA 0.356 4.676 4.320 -0.000 0.000 0.251 78 A C 1.074 178.661 177.584 0.005 0.000 1.089 78 A CA -0.209 51.832 52.037 0.008 0.000 0.779 78 A CB 0.267 19.274 19.000 0.012 0.000 1.022 78 A HN 0.425 nan 8.150 nan 0.000 0.492 79 E N 0.936 121.139 120.200 0.006 0.000 2.000 79 E HA -0.181 4.169 4.350 -0.000 0.000 0.199 79 E C 0.099 176.704 176.600 0.008 0.000 1.011 79 E CA 1.804 58.208 56.400 0.006 0.000 0.836 79 E CB 0.037 29.741 29.700 0.006 0.000 0.778 79 E HN 0.908 nan 8.360 nan 0.000 0.462 80 D N -0.814 119.592 120.400 0.010 0.000 2.185 80 D HA 0.385 5.025 4.640 -0.000 0.000 0.247 80 D C -0.970 175.338 176.300 0.014 0.000 1.027 80 D CA -0.356 53.652 54.000 0.013 0.000 0.861 80 D CB 1.065 41.874 40.800 0.015 0.000 1.202 80 D HN -0.065 nan 8.370 nan 0.000 0.453 81 I N 2.444 123.024 120.570 0.016 0.000 2.465 81 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 81 I C -0.438 175.693 176.117 0.024 0.000 1.014 81 I CA -0.522 60.788 61.300 0.017 0.000 1.093 81 I CB 2.179 40.187 38.000 0.012 0.000 1.267 81 I HN 0.517 nan 8.210 nan 0.000 0.431 82 T N 2.183 116.749 114.554 0.022 0.000 2.893 82 T HA 0.570 4.920 4.350 -0.000 0.000 0.293 82 T C 0.818 175.528 174.700 0.017 0.000 1.027 82 T CA -0.212 61.902 62.100 0.022 0.000 0.988 82 T CB 1.933 70.810 68.868 0.015 0.000 1.043 82 T HN 0.624 nan 8.240 nan 0.000 0.461 83 A N 2.739 125.569 122.820 0.016 0.000 1.940 83 A HA -0.032 4.288 4.320 -0.000 0.000 0.221 83 A C 2.603 180.192 177.584 0.009 0.000 1.190 83 A CA 2.775 54.820 52.037 0.014 0.000 0.647 83 A CB -1.553 17.445 19.000 -0.003 0.000 0.821 83 A HN 1.598 nan 8.150 nan 0.000 0.457 84 A N -0.923 121.895 122.820 -0.002 0.000 1.940 84 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 84 A C 2.097 179.684 177.584 0.006 0.000 1.176 84 A CA 2.032 54.067 52.037 -0.003 0.000 0.631 84 A CB -0.397 18.596 19.000 -0.011 0.000 0.814 84 A HN 0.581 nan 8.150 nan 0.000 0.446 85 K N -0.674 119.731 120.400 0.009 0.000 2.366 85 K HA 0.093 4.413 4.320 -0.000 0.000 0.198 85 K C 1.661 178.272 176.600 0.019 0.000 1.044 85 K CA 0.618 56.912 56.287 0.011 0.000 0.973 85 K CB -0.082 32.425 32.500 0.012 0.000 0.767 85 K HN 0.279 nan 8.250 nan 0.000 0.475 86 V N 1.048 120.977 119.914 0.024 0.000 2.324 86 V HA -0.322 3.798 4.120 -0.000 0.000 0.250 86 V C 2.023 178.142 176.094 0.042 0.000 1.060 86 V CA 2.132 64.453 62.300 0.035 0.000 1.042 86 V CB -0.541 31.305 31.823 0.039 0.000 0.650 86 V HN 0.415 nan 8.190 nan 0.000 0.450 87 T N 0.406 114.980 114.554 0.033 0.000 2.595 87 T HA -0.107 4.243 4.350 -0.000 0.000 0.264 87 T C 0.004 174.718 174.700 0.023 0.000 1.058 87 T CA 2.184 64.303 62.100 0.032 0.000 1.166 87 T CB -1.300 67.582 68.868 0.022 0.000 0.863 87 T HN 0.471 nan 8.240 nan 0.000 0.415 88 P HA -0.000 nan 4.420 nan 0.000 0.218 88 P C 1.580 178.876 177.300 -0.006 0.000 1.148 88 P CA 0.948 64.046 63.100 -0.003 0.000 0.822 88 P CB -0.252 31.446 31.700 -0.004 0.000 0.784 89 L N -1.522 119.709 121.223 0.014 0.000 2.093 89 L HA -0.070 4.269 4.340 -0.000 0.000 0.208 89 L C 2.127 179.025 176.870 0.048 0.000 1.085 89 L CA 1.203 56.059 54.840 0.026 0.000 0.755 89 L CB -0.500 41.585 42.059 0.043 0.000 0.904 89 L HN -0.057 nan 8.230 nan 0.000 0.435 90 L N -1.390 119.882 121.223 0.081 0.000 2.667 90 L HA 0.195 4.534 4.340 -0.000 0.000 0.232 90 L C 2.367 179.274 176.870 0.062 0.000 1.138 90 L CA -0.077 54.875 54.840 0.187 0.000 0.921 90 L CB -0.261 41.947 42.059 0.250 0.000 1.180 90 L HN 0.065 nan 8.230 nan 0.000 0.487 91 A N 1.624 124.422 122.820 -0.037 0.000 2.024 91 A HA -0.218 4.101 4.320 -0.000 0.000 0.220 91 A C 2.385 179.866 177.584 -0.172 0.000 1.164 91 A CA 1.757 53.753 52.037 -0.068 0.000 0.643 91 A CB -0.340 18.628 19.000 -0.054 0.000 0.806 91 A HN 0.535 nan 8.150 nan 0.000 0.451 92 K N -0.839 119.327 120.400 -0.390 0.000 2.280 92 K HA -0.073 4.246 4.320 -0.000 0.000 0.202 92 K C -0.449 175.819 176.600 -0.555 0.000 1.047 92 K CA 0.528 56.496 56.287 -0.531 0.000 0.942 92 K CB -0.402 31.692 32.500 -0.675 0.000 0.739 92 K HN 0.424 nan 8.250 nan 0.000 0.457 93 F N 3.099 123.048 119.950 -0.002 0.000 2.411 93 F HA 0.281 4.807 4.527 -0.000 0.000 0.355 93 F C 0.478 176.294 175.800 0.026 0.000 1.117 93 F CA -1.224 56.767 58.000 -0.015 0.000 1.139 93 F CB 0.935 39.916 39.000 -0.033 0.000 1.120 93 F HN -0.309 nan 8.300 nan 0.000 0.493 94 K N 2.951 123.459 120.400 0.180 0.000 2.298 94 K HA 0.449 4.768 4.320 -0.000 0.000 0.280 94 K C 0.767 177.455 176.600 0.147 0.000 1.032 94 K CA 0.337 56.692 56.287 0.112 0.000 0.958 94 K CB 0.922 33.454 32.500 0.053 0.000 0.978 94 K HN 0.910 nan 8.250 nan 0.000 0.472 95 G N 2.033 110.865 108.800 0.053 0.000 2.528 95 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.262 95 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.262 95 G C -0.299 174.614 174.900 0.022 0.000 1.200 95 G CA 0.170 45.237 45.100 -0.054 0.000 0.951 95 G HN 0.906 nan 8.290 nan 0.000 0.566 96 H N -0.308 118.769 119.070 0.012 0.000 2.791 96 H HA -0.174 4.382 4.556 -0.000 0.000 0.302 96 H C 2.068 177.405 175.328 0.016 0.000 1.198 96 H CA 1.434 57.486 56.048 0.007 0.000 1.145 96 H CB -1.100 28.659 29.762 -0.005 0.000 1.385 96 H HN 0.677 nan 8.280 nan 0.000 0.409 97 R N 0.259 120.789 120.500 0.051 0.000 2.083 97 R HA -0.123 4.217 4.340 -0.000 0.000 0.237 97 R C 2.530 178.856 176.300 0.044 0.000 1.137 97 R CA 2.012 58.137 56.100 0.042 0.000 0.951 97 R CB -0.084 30.222 30.300 0.011 0.000 0.851 97 R HN 0.359 nan 8.270 nan 0.000 0.434 98 M N 0.224 119.851 119.600 0.044 0.000 2.080 98 M HA -0.104 4.376 4.480 -0.000 0.000 0.260 98 M C 2.557 178.888 176.300 0.051 0.000 1.068 98 M CA 1.899 57.224 55.300 0.042 0.000 1.109 98 M CB -0.700 31.925 32.600 0.043 0.000 1.342 98 M HN 0.167 nan 8.290 nan 0.000 0.405 99 A N 1.294 124.155 122.820 0.068 0.000 1.845 99 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 99 A C 2.256 179.872 177.584 0.054 0.000 1.195 99 A CA 1.995 54.066 52.037 0.057 0.000 0.616 99 A CB -0.740 18.296 19.000 0.059 0.000 0.832 99 A HN 0.475 nan 8.150 nan 0.000 0.443 100 K N -0.931 119.512 120.400 0.071 0.000 2.113 100 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 100 K C 2.022 178.661 176.600 0.065 0.000 1.047 100 K CA 1.238 57.566 56.287 0.070 0.000 0.928 100 K CB -0.481 32.072 32.500 0.087 0.000 0.716 100 K HN 0.519 nan 8.250 nan 0.000 0.446 101 G N 0.664 109.499 108.800 0.058 0.000 2.408 101 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 101 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 101 G C 1.558 176.526 174.900 0.112 0.000 1.150 101 G CA 0.866 46.002 45.100 0.060 0.000 0.776 101 G HN 0.365 nan 8.290 nan 0.000 0.542 102 A N 0.479 123.357 122.820 0.098 0.000 1.873 102 A HA 0.094 4.414 4.320 -0.000 0.000 0.215 102 A C 2.340 179.992 177.584 0.112 0.000 1.186 102 A CA 1.607 53.715 52.037 0.118 0.000 0.616 102 A CB -0.484 18.564 19.000 0.080 0.000 0.823 102 A HN 0.411 nan 8.150 nan 0.000 0.442 103 L N 0.169 121.436 121.223 0.073 0.000 2.017 103 L HA -0.146 4.193 4.340 -0.000 0.000 0.208 103 L C 2.340 179.253 176.870 0.072 0.000 1.073 103 L CA 2.650 57.519 54.840 0.047 0.000 0.745 103 L CB -0.578 41.490 42.059 0.016 0.000 0.894 103 L HN 0.613 nan 8.230 nan 0.000 0.432 104 E N -0.762 119.494 120.200 0.092 0.000 2.153 104 E HA -0.296 4.054 4.350 -0.000 0.000 0.194 104 E C 2.207 178.902 176.600 0.158 0.000 0.988 104 E CA 1.576 58.038 56.400 0.103 0.000 0.811 104 E CB -0.203 29.556 29.700 0.097 0.000 0.746 104 E HN 0.624 nan 8.360 nan 0.000 0.466 105 M N 0.293 120.033 119.600 0.233 0.000 2.086 105 M HA -0.164 4.315 4.480 -0.000 0.000 0.261 105 M C 2.267 178.734 176.300 0.279 0.000 1.067 105 M CA 1.787 57.299 55.300 0.354 0.000 1.116 105 M CB -0.153 32.688 32.600 0.401 0.000 1.348 105 M HN 0.195 nan 8.290 nan 0.000 0.407 106 A N -0.083 122.837 122.820 0.166 0.000 1.865 106 A HA -0.149 4.170 4.320 -0.000 0.000 0.217 106 A C 2.054 179.682 177.584 0.074 0.000 1.191 106 A CA 2.105 54.194 52.037 0.087 0.000 0.623 106 A CB -1.284 17.719 19.000 0.005 0.000 0.826 106 A HN 0.427 nan 8.150 nan 0.000 0.444 107 V N -0.299 119.656 119.914 0.068 0.000 2.287 107 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 107 V C 2.533 178.679 176.094 0.087 0.000 1.053 107 V CA 2.151 64.484 62.300 0.055 0.000 1.027 107 V CB -0.836 31.013 31.823 0.043 0.000 0.646 107 V HN 0.611 nan 8.190 nan 0.000 0.447 108 L N 0.573 121.866 121.223 0.118 0.000 2.017 108 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 108 L C 2.185 179.194 176.870 0.232 0.000 1.073 108 L CA 2.524 57.425 54.840 0.101 0.000 0.745 108 L CB -0.894 41.162 42.059 -0.004 0.000 0.894 108 L HN 0.405 nan 8.230 nan 0.000 0.432 109 D N -0.544 120.093 120.400 0.395 0.000 2.133 109 D HA -0.210 4.429 4.640 -0.000 0.000 0.195 109 D C 2.053 178.480 176.300 0.212 0.000 0.997 109 D CA 1.498 55.734 54.000 0.393 0.000 0.840 109 D CB -0.068 40.861 40.800 0.215 0.000 0.947 109 D HN 0.489 nan 8.370 nan 0.000 0.452 110 A N 0.585 123.486 122.820 0.134 0.000 1.834 110 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 110 A C 2.212 179.859 177.584 0.105 0.000 1.203 110 A CA 1.984 54.072 52.037 0.085 0.000 0.621 110 A CB -1.102 17.922 19.000 0.041 0.000 0.841 110 A HN 0.378 nan 8.150 nan 0.000 0.446 111 E N -0.504 119.764 120.200 0.114 0.000 2.136 111 E HA -0.241 4.108 4.350 -0.000 0.000 0.202 111 E C 1.986 178.726 176.600 0.234 0.000 1.019 111 E CA 1.629 58.124 56.400 0.158 0.000 0.819 111 E CB -0.234 29.539 29.700 0.122 0.000 0.739 111 E HN 0.628 nan 8.360 nan 0.000 0.458 112 L N -0.426 120.907 121.223 0.183 0.000 2.044 112 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 112 L C 2.748 179.723 176.870 0.175 0.000 1.075 112 L CA 0.893 55.843 54.840 0.184 0.000 0.747 112 L CB -0.364 41.798 42.059 0.171 0.000 0.903 112 L HN 0.069 nan 8.230 nan 0.000 0.435 113 R N 0.002 120.593 120.500 0.150 0.000 2.139 113 R HA -0.202 4.137 4.340 -0.000 0.000 0.243 113 R C 2.289 178.630 176.300 0.069 0.000 1.145 113 R CA 1.454 57.618 56.100 0.107 0.000 0.976 113 R CB -0.346 30.013 30.300 0.099 0.000 0.866 113 R HN 0.387 nan 8.270 nan 0.000 0.449 114 A N -0.540 122.314 122.820 0.058 0.000 1.968 114 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 114 A C 1.084 178.579 177.584 -0.149 0.000 1.169 114 A CA 1.194 53.204 52.037 -0.045 0.000 0.638 114 A CB -0.228 18.731 19.000 -0.068 0.000 0.812 114 A HN 0.357 nan 8.150 nan 0.000 0.446 115 H N -0.841 118.246 119.070 0.029 0.000 2.520 115 H HA 0.305 4.861 4.556 -0.000 0.000 0.284 115 H C -0.394 174.949 175.328 0.025 0.000 1.037 115 H CA 0.153 56.215 56.048 0.023 0.000 1.168 115 H CB 0.025 29.798 29.762 0.018 0.000 1.497 115 H HN 0.567 nan 8.280 nan 0.000 0.547 116 E N 0.653 120.916 120.200 0.105 0.000 2.228 116 E HA -0.269 4.080 4.350 -0.000 0.000 0.213 116 E C -0.088 176.567 176.600 0.092 0.000 1.282 116 E CA 0.221 56.668 56.400 0.079 0.000 0.707 116 E CB -0.612 29.116 29.700 0.047 0.000 1.150 116 E HN 0.444 nan 8.360 nan 0.000 0.362 117 R N 0.765 121.333 120.500 0.114 0.000 2.621 117 R HA 0.389 4.729 4.340 -0.000 0.000 0.292 117 R C -0.224 176.143 176.300 0.112 0.000 0.969 117 R CA -0.198 55.960 56.100 0.097 0.000 0.887 117 R CB 1.259 31.608 30.300 0.082 0.000 1.180 117 R HN 0.167 nan 8.270 nan 0.000 0.450 118 S N 2.739 118.498 115.700 0.099 0.000 2.603 118 S HA 0.152 4.621 4.470 -0.000 0.000 0.268 118 S C 0.946 175.656 174.600 0.183 0.000 1.317 118 S CA -0.594 57.688 58.200 0.137 0.000 1.012 118 S CB 0.531 63.790 63.200 0.097 0.000 0.926 118 S HN 0.529 nan 8.310 nan 0.000 0.539 119 F N 1.552 121.482 119.950 -0.034 0.000 2.069 119 F HA -0.018 4.508 4.527 -0.000 0.000 0.298 119 F C 2.817 178.582 175.800 -0.058 0.000 1.113 119 F CA 1.396 59.354 58.000 -0.070 0.000 1.214 119 F CB -1.336 37.580 39.000 -0.139 0.000 0.978 119 F HN 0.800 nan 8.300 nan 0.000 0.474 120 A N -0.324 122.580 122.820 0.141 0.000 1.978 120 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 120 A C 2.408 180.003 177.584 0.019 0.000 1.170 120 A CA 1.890 53.957 52.037 0.051 0.000 0.636 120 A CB -1.305 17.721 19.000 0.045 0.000 0.810 120 A HN 0.355 nan 8.150 nan 0.000 0.448 121 A N -0.128 122.709 122.820 0.029 0.000 1.855 121 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 121 A C 1.989 179.563 177.584 -0.017 0.000 1.191 121 A CA 2.041 54.084 52.037 0.011 0.000 0.613 121 A CB -0.544 18.469 19.000 0.022 0.000 0.829 121 A HN 0.570 nan 8.150 nan 0.000 0.442 122 E N 0.451 120.627 120.200 -0.041 0.000 2.058 122 E HA -0.146 4.203 4.350 -0.000 0.000 0.194 122 E C 1.716 178.267 176.600 -0.082 0.000 0.997 122 E CA 1.496 57.847 56.400 -0.083 0.000 0.801 122 E CB -0.483 29.124 29.700 -0.155 0.000 0.746 122 E HN 0.577 nan 8.360 nan 0.000 0.450 123 L N -0.823 120.348 121.223 -0.087 0.000 2.456 123 L HA 0.123 4.463 4.340 -0.000 0.000 0.224 123 L C 1.383 178.223 176.870 -0.049 0.000 1.148 123 L CA 0.531 55.329 54.840 -0.071 0.000 0.825 123 L CB -0.483 41.534 42.059 -0.069 0.000 0.937 123 L HN 0.479 nan 8.230 nan 0.000 0.450 124 G N 0.498 109.279 108.800 -0.033 0.000 2.203 124 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.231 124 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.231 124 G C 0.293 175.187 174.900 -0.011 0.000 1.058 124 G CA 0.303 45.395 45.100 -0.013 0.000 0.781 124 G HN 0.331 nan 8.290 nan 0.000 0.496 125 S N -1.262 114.429 115.700 -0.015 0.000 2.569 125 S HA 0.420 4.890 4.470 -0.000 0.000 0.274 125 S C 1.685 176.297 174.600 0.021 0.000 1.353 125 S CA 1.080 59.276 58.200 -0.007 0.000 1.023 125 S CB 1.364 64.563 63.200 -0.002 0.000 0.876 125 S HN 1.681 nan 8.310 nan 0.000 0.540 126 V N 1.123 121.059 119.914 0.036 0.000 3.451 126 V HA 0.473 4.593 4.120 -0.000 0.000 0.288 126 V C 0.320 176.446 176.094 0.054 0.000 1.502 126 V CA -0.421 61.908 62.300 0.050 0.000 1.026 126 V CB -0.684 31.179 31.823 0.067 0.000 0.840 126 V HN 0.778 nan 8.190 nan 0.000 0.437 127 R N 1.395 121.927 120.500 0.053 0.000 2.960 127 R HA 0.621 4.961 4.340 -0.000 0.000 0.249 127 R C 0.083 176.417 176.300 0.057 0.000 1.192 127 R CA -0.024 56.114 56.100 0.064 0.000 1.035 127 R CB 0.729 31.080 30.300 0.085 0.000 1.234 127 R HN 0.229 nan 8.270 nan 0.000 0.493 128 D N -0.917 119.524 120.400 0.068 0.000 2.479 128 D HA 0.020 4.660 4.640 -0.000 0.000 0.221 128 D C -0.016 176.337 176.300 0.088 0.000 1.104 128 D CA 0.099 54.138 54.000 0.064 0.000 0.849 128 D CB 0.569 41.399 40.800 0.050 0.000 1.072 128 D HN 0.322 nan 8.370 nan 0.000 0.502 129 S N 0.016 115.791 115.700 0.126 0.000 2.579 129 S HA 0.631 5.101 4.470 -0.000 0.000 0.272 129 S C -1.065 173.670 174.600 0.225 0.000 1.141 129 S CA -0.363 57.954 58.200 0.195 0.000 0.843 129 S CB 1.804 65.152 63.200 0.246 0.000 1.122 129 S HN 0.440 nan 8.310 nan 0.000 0.468 130 V N -0.821 119.181 119.914 0.147 0.000 2.841 130 V HA 0.850 4.970 4.120 -0.000 0.000 0.310 130 V C -3.144 172.719 176.094 -0.385 0.000 1.090 130 V CA -2.574 59.695 62.300 -0.051 0.000 0.930 130 V CB 1.712 33.526 31.823 -0.016 0.000 1.014 130 V HN 0.773 nan 8.190 nan 0.000 0.425 131 P HA 0.408 nan 4.420 nan 0.000 0.281 131 P C -0.542 176.629 177.300 -0.215 0.000 1.252 131 P CA -0.104 62.581 63.100 -0.692 0.000 0.778 131 P CB 0.829 32.275 31.700 -0.423 0.000 0.895 132 C N 3.232 122.475 119.300 -0.095 0.000 2.376 132 C HA 0.822 5.282 4.460 -0.000 0.000 0.335 132 C C 1.196 176.238 174.990 0.086 0.000 1.229 132 C CA -0.092 58.953 59.018 0.044 0.000 1.867 132 C CB 1.264 29.098 27.740 0.157 0.000 2.319 132 C HN 0.690 nan 8.230 nan 0.000 0.515 133 G N 0.250 109.042 108.800 -0.013 0.000 2.820 133 G HA2 0.705 4.665 3.960 -0.000 0.000 0.291 133 G HA3 0.705 4.665 3.960 -0.000 0.000 0.291 133 G C -1.341 173.365 174.900 -0.323 0.000 1.323 133 G CA -0.362 44.669 45.100 -0.116 0.000 1.055 133 G HN 0.830 nan 8.290 nan 0.000 0.520 134 V N -0.936 118.700 119.914 -0.465 0.000 2.925 134 V HA 0.738 4.858 4.120 -0.000 0.000 0.311 134 V C -0.572 175.249 176.094 -0.454 0.000 1.104 134 V CA -0.731 61.123 62.300 -0.743 0.000 0.954 134 V CB 2.248 33.226 31.823 -1.408 0.000 1.022 134 V HN 0.817 nan 8.190 nan 0.000 0.427 135 S N 4.323 119.804 115.700 -0.366 0.000 2.420 135 S HA 0.631 5.101 4.470 -0.000 0.000 0.313 135 S C -0.763 173.821 174.600 -0.027 0.000 1.079 135 S CA -0.461 57.684 58.200 -0.092 0.000 1.104 135 S CB 0.641 63.902 63.200 0.103 0.000 0.969 135 S HN 0.712 nan 8.310 nan 0.000 0.471 136 V N 5.423 125.354 119.914 0.028 0.000 2.407 136 V HA 0.554 4.674 4.120 -0.000 0.000 0.278 136 V C 1.315 177.533 176.094 0.207 0.000 1.037 136 V CA -0.537 61.836 62.300 0.120 0.000 0.900 136 V CB 1.070 32.933 31.823 0.068 0.000 0.983 136 V HN 0.909 nan 8.190 nan 0.000 0.459 137 G N 4.070 113.023 108.800 0.255 0.000 2.611 137 G HA2 0.484 4.444 3.960 -0.000 0.000 0.273 137 G HA3 0.484 4.444 3.960 -0.000 0.000 0.273 137 G C -0.110 174.767 174.900 -0.038 0.000 1.305 137 G CA -0.801 44.257 45.100 -0.069 0.000 1.010 137 G HN 0.637 nan 8.290 nan 0.000 0.509 138 I N 0.929 121.362 120.570 -0.229 0.000 2.441 138 I HA 0.142 4.312 4.170 -0.000 0.000 0.287 138 I C 0.183 176.013 176.117 -0.479 0.000 1.049 138 I CA -0.317 60.737 61.300 -0.411 0.000 1.381 138 I CB 1.192 38.844 38.000 -0.580 0.000 1.409 138 I HN 0.130 nan 8.210 nan 0.000 0.523 139 M N 4.102 123.324 119.600 -0.631 0.000 2.649 139 M HA 0.265 4.744 4.480 -0.000 0.000 0.294 139 M C 0.800 176.688 176.300 -0.687 0.000 1.206 139 M CA -0.430 54.628 55.300 -0.403 0.000 0.928 139 M CB 0.931 33.551 32.600 0.032 0.000 1.571 139 M HN 0.444 nan 8.290 nan 0.000 0.501 140 D N 0.427 120.638 120.400 -0.316 0.000 2.240 140 D HA 0.015 4.655 4.640 -0.000 0.000 0.206 140 D C 0.596 176.835 176.300 -0.102 0.000 0.963 140 D CA 1.030 54.878 54.000 -0.254 0.000 0.863 140 D CB 0.562 41.284 40.800 -0.131 0.000 0.973 140 D HN 0.724 nan 8.370 nan 0.000 0.501 141 T N -2.499 112.079 114.554 0.040 0.000 2.906 141 T HA 0.426 4.776 4.350 -0.000 0.000 0.295 141 T C 1.363 176.290 174.700 0.379 0.000 1.061 141 T CA -0.783 61.438 62.100 0.201 0.000 1.000 141 T CB 1.772 70.707 68.868 0.112 0.000 1.103 141 T HN -0.233 nan 8.240 nan 0.000 0.486 142 I N 1.234 122.008 120.570 0.340 0.000 2.163 142 I HA -0.004 4.165 4.170 -0.000 0.000 0.240 142 I C -0.680 175.536 176.117 0.165 0.000 1.081 142 I CA 0.767 62.201 61.300 0.224 0.000 1.353 142 I CB -1.414 36.626 38.000 0.067 0.000 1.054 142 I HN 0.510 nan 8.210 nan 0.000 0.407 143 P HA -0.246 nan 4.420 nan 0.000 0.214 143 P C 1.627 178.998 177.300 0.118 0.000 1.163 143 P CA 1.619 64.779 63.100 0.100 0.000 0.889 143 P CB -0.236 31.507 31.700 0.071 0.000 0.790 144 Q N -0.731 119.140 119.800 0.117 0.000 2.082 144 Q HA -0.252 4.088 4.340 -0.000 0.000 0.211 144 Q C 2.086 178.166 176.000 0.132 0.000 1.002 144 Q CA 1.843 57.709 55.803 0.104 0.000 0.868 144 Q CB -0.835 27.952 28.738 0.081 0.000 0.931 144 Q HN 0.057 nan 8.270 nan 0.000 0.414 145 L N 0.584 121.927 121.223 0.201 0.000 1.956 145 L HA -0.236 4.104 4.340 -0.000 0.000 0.216 145 L C 2.298 179.267 176.870 0.165 0.000 1.073 145 L CA 1.907 56.878 54.840 0.219 0.000 0.762 145 L CB -0.720 41.529 42.059 0.318 0.000 0.889 145 L HN 0.383 nan 8.230 nan 0.000 0.433 146 L N -0.429 120.913 121.223 0.199 0.000 2.051 146 L HA -0.298 4.042 4.340 -0.000 0.000 0.214 146 L C 2.323 179.375 176.870 0.303 0.000 1.076 146 L CA 1.606 56.639 54.840 0.322 0.000 0.758 146 L CB -1.186 41.077 42.059 0.340 0.000 0.890 146 L HN 0.370 nan 8.230 nan 0.000 0.433 147 D N -0.033 120.474 120.400 0.178 0.000 2.092 147 D HA -0.150 4.489 4.640 -0.000 0.000 0.193 147 D C 2.378 178.715 176.300 0.063 0.000 0.994 147 D CA 1.619 55.695 54.000 0.126 0.000 0.828 147 D CB -0.440 40.399 40.800 0.065 0.000 0.963 147 D HN 0.174 nan 8.370 nan 0.000 0.450 148 V N 1.063 120.996 119.914 0.032 0.000 2.252 148 V HA -0.262 3.857 4.120 -0.000 0.000 0.249 148 V C 2.742 178.800 176.094 -0.061 0.000 1.056 148 V CA 1.396 63.676 62.300 -0.033 0.000 1.022 148 V CB -0.947 30.909 31.823 0.055 0.000 0.641 148 V HN 0.036 nan 8.190 nan 0.000 0.445 149 V N 1.076 120.967 119.914 -0.038 0.000 2.220 149 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 149 V C 2.767 178.687 176.094 -0.290 0.000 1.049 149 V CA 2.492 64.679 62.300 -0.187 0.000 1.003 149 V CB -1.656 29.867 31.823 -0.500 0.000 0.634 149 V HN 0.617 nan 8.190 nan 0.000 0.444 150 G N -0.140 108.470 108.800 -0.316 0.000 2.556 150 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 150 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 150 G C 1.628 176.532 174.900 0.006 0.000 1.156 150 G CA 1.330 46.465 45.100 0.058 0.000 0.766 150 G HN 0.648 nan 8.290 nan 0.000 0.583 151 G N 0.065 108.814 108.800 -0.084 0.000 2.553 151 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 151 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 151 G C 1.632 176.393 174.900 -0.231 0.000 1.195 151 G CA 1.174 46.151 45.100 -0.204 0.000 0.779 151 G HN 0.514 nan 8.290 nan 0.000 0.577 152 Y N 0.370 120.688 120.300 0.031 0.000 2.224 152 Y HA -0.001 4.549 4.550 -0.001 0.000 0.289 152 Y C 2.868 178.840 175.900 0.121 0.000 1.146 152 Y CA 0.583 58.769 58.100 0.143 0.000 1.182 152 Y CB -0.204 38.324 38.460 0.114 0.000 0.983 152 Y HN 0.079 nan 8.280 nan 0.000 0.524 153 L N -0.159 121.169 121.223 0.174 0.000 2.043 153 L HA -0.297 4.042 4.340 -0.000 0.000 0.212 153 L C 1.814 178.735 176.870 0.086 0.000 1.075 153 L CA 1.422 56.326 54.840 0.107 0.000 0.752 153 L CB -0.454 41.627 42.059 0.038 0.000 0.891 153 L HN 0.287 nan 8.230 nan 0.000 0.432 154 D N -0.367 120.070 120.400 0.061 0.000 2.178 154 D HA -0.160 4.480 4.640 -0.000 0.000 0.202 154 D C 2.009 178.308 176.300 -0.001 0.000 0.974 154 D CA 0.894 54.913 54.000 0.031 0.000 0.841 154 D CB -0.142 40.670 40.800 0.021 0.000 0.953 154 D HN 0.420 nan 8.370 nan 0.000 0.478 155 E N -0.045 120.152 120.200 -0.004 0.000 2.267 155 E HA -0.040 4.310 4.350 -0.000 0.000 0.197 155 E C 1.248 177.743 176.600 -0.176 0.000 0.998 155 E CA 0.881 57.232 56.400 -0.082 0.000 0.830 155 E CB 0.064 29.729 29.700 -0.058 0.000 0.751 155 E HN 0.383 nan 8.360 nan 0.000 0.491 156 G N 0.234 108.966 108.800 -0.112 0.000 2.192 156 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.193 156 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.193 156 G C -0.221 174.616 174.900 -0.105 0.000 0.999 156 G CA -0.414 44.622 45.100 -0.106 0.000 0.659 156 G HN 0.225 nan 8.290 nan 0.000 0.503 157 Y N 0.854 121.188 120.300 0.058 0.000 2.650 157 Y HA 0.189 4.739 4.550 -0.001 0.000 0.331 157 Y C 2.117 178.013 175.900 -0.006 0.000 1.165 157 Y CA 0.305 58.413 58.100 0.014 0.000 1.473 157 Y CB 1.016 39.462 38.460 -0.023 0.000 1.224 157 Y HN 0.002 nan 8.280 nan 0.000 0.533 158 V N 3.092 123.098 119.914 0.154 0.000 2.515 158 V HA -0.142 3.978 4.120 -0.000 0.000 0.250 158 V C 0.931 177.038 176.094 0.022 0.000 1.058 158 V CA 1.440 63.781 62.300 0.068 0.000 1.064 158 V CB -0.548 31.296 31.823 0.036 0.000 0.675 158 V HN 0.706 nan 8.190 nan 0.000 0.461 159 R N -0.382 120.114 120.500 -0.006 0.000 2.707 159 R HA 0.527 4.867 4.340 -0.000 0.000 0.272 159 R C -2.006 174.226 176.300 -0.115 0.000 1.011 159 R CA -0.757 55.298 56.100 -0.074 0.000 0.893 159 R CB 2.103 32.323 30.300 -0.133 0.000 1.233 159 R HN 0.242 nan 8.270 nan 0.000 0.464 160 I N 3.255 123.754 120.570 -0.118 0.000 2.378 160 I HA 0.326 4.496 4.170 -0.000 0.000 0.291 160 I C -0.369 175.666 176.117 -0.136 0.000 0.992 160 I CA -0.664 60.553 61.300 -0.138 0.000 1.154 160 I CB 1.901 39.830 38.000 -0.118 0.000 1.315 160 I HN 0.464 nan 8.210 nan 0.000 0.448 161 K N 8.163 128.479 120.400 -0.140 0.000 2.358 161 K HA 0.573 4.893 4.320 -0.000 0.000 0.260 161 K C -1.744 174.844 176.600 -0.021 0.000 0.956 161 K CA -0.570 55.666 56.287 -0.086 0.000 0.834 161 K CB 1.343 33.784 32.500 -0.097 0.000 1.102 161 K HN 0.605 nan 8.250 nan 0.000 0.431 162 L N 4.573 125.801 121.223 0.008 0.000 2.282 162 L HA 0.372 4.712 4.340 -0.000 0.000 0.288 162 L C 0.044 176.974 176.870 0.099 0.000 1.033 162 L CA -1.105 53.768 54.840 0.055 0.000 0.807 162 L CB 1.393 43.464 42.059 0.019 0.000 1.209 162 L HN 0.497 nan 8.230 nan 0.000 0.423 163 K N 5.009 125.484 120.400 0.124 0.000 2.339 163 K HA 0.404 4.723 4.320 -0.000 0.000 0.286 163 K C -0.308 176.418 176.600 0.211 0.000 1.050 163 K CA -0.091 56.260 56.287 0.107 0.000 0.956 163 K CB 1.181 33.662 32.500 -0.031 0.000 0.990 163 K HN 0.537 nan 8.250 nan 0.000 0.475 164 I N -1.738 118.957 120.570 0.209 0.000 2.910 164 I HA 0.563 4.733 4.170 -0.000 0.000 0.310 164 I C -0.174 176.103 176.117 0.267 0.000 1.043 164 I CA -0.774 60.703 61.300 0.294 0.000 1.053 164 I CB 2.143 40.282 38.000 0.232 0.000 1.242 164 I HN 0.470 nan 8.210 nan 0.000 0.452 165 E N 1.986 122.355 120.200 0.281 0.000 2.458 165 E HA 0.526 4.876 4.350 -0.000 0.000 0.278 165 E C -2.826 173.817 176.600 0.071 0.000 1.004 165 E CA -2.281 54.163 56.400 0.073 0.000 0.823 165 E CB 2.751 32.479 29.700 0.046 0.000 1.396 165 E HN 0.425 nan 8.360 nan 0.000 0.463 166 P HA 0.197 nan 4.420 nan 0.000 0.282 166 P C 0.092 177.430 177.300 0.063 0.000 1.262 166 P CA 0.598 63.654 63.100 -0.074 0.000 0.773 166 P CB 0.803 32.361 31.700 -0.237 0.000 0.879 167 G N 1.847 110.732 108.800 0.143 0.000 2.195 167 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.224 167 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.224 167 G C -0.259 174.803 174.900 0.271 0.000 0.990 167 G CA -0.421 44.771 45.100 0.153 0.000 0.639 167 G HN 0.581 nan 8.290 nan 0.000 0.514 168 W N 2.007 123.326 121.300 0.031 0.000 1.177 168 W HA 0.399 5.059 4.660 -0.000 0.000 0.309 168 W C -0.043 176.502 176.519 0.044 0.000 0.863 168 W CA 0.373 57.729 57.345 0.018 0.000 1.725 168 W CB 0.287 29.743 29.460 -0.007 0.000 1.770 168 W HN 0.389 nan 8.180 nan 0.000 0.479 169 D N -0.737 119.652 120.400 -0.019 0.000 3.012 169 D HA 0.028 4.667 4.640 -0.000 0.000 0.230 169 D C 1.782 177.949 176.300 -0.222 0.000 1.477 169 D CA 0.004 53.971 54.000 -0.056 0.000 1.329 169 D CB 0.149 40.980 40.800 0.052 0.000 0.951 169 D HN -0.183 nan 8.370 nan 0.000 0.224 170 V N 0.697 120.509 119.914 -0.169 0.000 2.252 170 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 170 V C 2.381 178.252 176.094 -0.372 0.000 1.056 170 V CA 2.153 64.315 62.300 -0.230 0.000 1.022 170 V CB -0.600 31.184 31.823 -0.065 0.000 0.641 170 V HN 0.178 nan 8.190 nan 0.000 0.445 171 E N -0.264 119.756 120.200 -0.300 0.000 2.012 171 E HA -0.134 4.216 4.350 -0.000 0.000 0.197 171 E C 0.190 176.527 176.600 -0.439 0.000 1.007 171 E CA 1.974 58.184 56.400 -0.318 0.000 0.816 171 E CB -1.786 27.764 29.700 -0.251 0.000 0.762 171 E HN 0.486 nan 8.360 nan 0.000 0.451 172 P HA -0.151 nan 4.420 nan 0.000 0.217 172 P C 1.501 178.521 177.300 -0.467 0.000 1.151 172 P CA 1.135 63.791 63.100 -0.741 0.000 0.849 172 P CB -0.000 30.951 31.700 -1.247 0.000 0.787 173 V N 0.207 119.819 119.914 -0.503 0.000 2.323 173 V HA -0.178 3.941 4.120 -0.000 0.000 0.244 173 V C 2.863 178.581 176.094 -0.627 0.000 1.041 173 V CA 1.925 63.916 62.300 -0.515 0.000 1.025 173 V CB -1.158 30.310 31.823 -0.592 0.000 0.656 173 V HN 0.032 nan 8.190 nan 0.000 0.451 174 R N 1.044 121.062 120.500 -0.803 0.000 2.113 174 R HA -0.231 4.109 4.340 -0.000 0.000 0.244 174 R C 2.189 178.366 176.300 -0.205 0.000 1.142 174 R CA 2.184 57.939 56.100 -0.575 0.000 0.953 174 R CB -0.793 29.330 30.300 -0.295 0.000 0.860 174 R HN 0.443 nan 8.270 nan 0.000 0.438 175 A N 0.014 122.716 122.820 -0.197 0.000 1.859 175 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 175 A C 2.371 179.966 177.584 0.018 0.000 1.198 175 A CA 2.079 54.066 52.037 -0.084 0.000 0.629 175 A CB -0.973 17.964 19.000 -0.104 0.000 0.830 175 A HN 0.237 nan 8.150 nan 0.000 0.446 176 V N -0.165 119.768 119.914 0.032 0.000 2.407 176 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 176 V C 2.761 178.986 176.094 0.218 0.000 1.055 176 V CA 2.093 64.523 62.300 0.217 0.000 1.049 176 V CB -0.903 30.962 31.823 0.069 0.000 0.662 176 V HN 0.414 nan 8.190 nan 0.000 0.455 177 R N 0.349 120.902 120.500 0.088 0.000 2.070 177 R HA -0.132 4.207 4.340 -0.000 0.000 0.232 177 R C 2.269 178.643 176.300 0.125 0.000 1.138 177 R CA 1.713 57.894 56.100 0.135 0.000 0.936 177 R CB -0.817 29.614 30.300 0.218 0.000 0.839 177 R HN 0.612 nan 8.270 nan 0.000 0.429 178 E N -0.324 119.932 120.200 0.093 0.000 2.033 178 E HA -0.263 4.087 4.350 -0.000 0.000 0.199 178 E C 2.139 178.731 176.600 -0.014 0.000 1.011 178 E CA 1.911 58.339 56.400 0.048 0.000 0.815 178 E CB -0.108 29.610 29.700 0.031 0.000 0.755 178 E HN 0.064 nan 8.360 nan 0.000 0.451 179 R N -0.455 120.009 120.500 -0.061 0.000 2.075 179 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 179 R C 1.832 177.883 176.300 -0.415 0.000 1.126 179 R CA 1.513 57.442 56.100 -0.285 0.000 0.963 179 R CB -0.180 29.852 30.300 -0.446 0.000 0.858 179 R HN 0.136 nan 8.270 nan 0.000 0.435 180 F N -0.748 119.209 119.950 0.012 0.000 2.619 180 F HA 0.395 4.922 4.527 -0.000 0.000 0.293 180 F C 1.179 176.992 175.800 0.021 0.000 1.119 180 F CA 0.673 58.684 58.000 0.018 0.000 1.445 180 F CB 0.547 39.559 39.000 0.020 0.000 1.119 180 F HN 0.304 nan 8.300 nan 0.000 0.573 181 G N 0.306 109.192 108.800 0.145 0.000 2.479 181 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.686 181 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.686 181 G C -0.550 174.411 174.900 0.102 0.000 1.295 181 G CA -0.452 44.708 45.100 0.100 0.000 0.922 181 G HN -0.019 nan 8.290 nan 0.000 0.582 182 D N -0.408 120.036 120.400 0.074 0.000 2.348 182 D HA 0.135 4.774 4.640 -0.000 0.000 0.211 182 D C 1.433 177.765 176.300 0.055 0.000 0.998 182 D CA 0.629 54.668 54.000 0.065 0.000 0.873 182 D CB 0.269 41.096 40.800 0.044 0.000 0.925 182 D HN 0.387 nan 8.370 nan 0.000 0.524 183 D N 0.027 120.461 120.400 0.056 0.000 2.349 183 D HA 0.027 4.667 4.640 -0.000 0.000 0.214 183 D C 0.305 176.633 176.300 0.047 0.000 1.063 183 D CA 0.117 54.144 54.000 0.046 0.000 0.847 183 D CB 1.256 42.080 40.800 0.041 0.000 0.933 183 D HN 0.027 nan 8.370 nan 0.000 0.513 184 V N 1.430 121.379 119.914 0.059 0.000 2.686 184 V HA 0.090 4.210 4.120 -0.000 0.000 0.295 184 V C 0.861 176.966 176.094 0.019 0.000 1.055 184 V CA -0.501 61.827 62.300 0.046 0.000 1.050 184 V CB 1.544 33.404 31.823 0.062 0.000 0.984 184 V HN 0.008 nan 8.190 nan 0.000 0.482 185 L N 4.875 126.096 121.223 -0.003 0.000 2.363 185 L HA 0.352 4.692 4.340 -0.000 0.000 0.286 185 L C -0.466 176.372 176.870 -0.053 0.000 1.106 185 L CA -0.047 54.774 54.840 -0.030 0.000 0.859 185 L CB 0.766 42.797 42.059 -0.047 0.000 1.223 185 L HN 0.504 nan 8.230 nan 0.000 0.446 186 L N 5.066 126.264 121.223 -0.041 0.000 2.365 186 L HA 0.498 4.838 4.340 -0.000 0.000 0.273 186 L C -0.494 176.347 176.870 -0.049 0.000 1.000 186 L CA -0.000 54.812 54.840 -0.046 0.000 0.819 186 L CB 1.968 44.018 42.059 -0.015 0.000 1.284 186 L HN 0.650 nan 8.230 nan 0.000 0.418 187 Q N 3.395 123.157 119.800 -0.063 0.000 2.534 187 Q HA 0.796 5.136 4.340 -0.000 0.000 0.290 187 Q C -1.646 174.343 176.000 -0.019 0.000 0.991 187 Q CA -1.082 54.694 55.803 -0.044 0.000 0.783 187 Q CB 2.184 30.869 28.738 -0.090 0.000 1.470 187 Q HN 0.441 nan 8.270 nan 0.000 0.406 188 V N -2.095 117.830 119.914 0.018 0.000 3.046 188 V HA 0.774 4.894 4.120 -0.000 0.000 0.316 188 V C -1.235 174.919 176.094 0.100 0.000 1.104 188 V CA -0.673 61.654 62.300 0.046 0.000 1.006 188 V CB 1.945 33.785 31.823 0.028 0.000 1.058 188 V HN 0.917 nan 8.190 nan 0.000 0.440 189 D N 1.122 121.600 120.400 0.130 0.000 2.602 189 D HA 0.653 5.293 4.640 -0.000 0.000 0.245 189 D C 0.277 176.688 176.300 0.186 0.000 1.325 189 D CA 0.130 54.235 54.000 0.175 0.000 0.952 189 D CB 1.852 42.774 40.800 0.203 0.000 1.317 189 D HN 0.906 nan 8.370 nan 0.000 0.577 190 A N 3.625 126.578 122.820 0.221 0.000 2.251 190 A HA 0.132 4.452 4.320 -0.000 0.000 0.209 190 A C 0.878 178.598 177.584 0.227 0.000 1.187 190 A CA -0.092 52.116 52.037 0.286 0.000 0.823 190 A CB -0.792 18.504 19.000 0.493 0.000 0.846 190 A HN 0.778 nan 8.150 nan 0.000 0.486 191 N N 0.166 118.998 118.700 0.220 0.000 2.701 191 N HA -0.240 4.500 4.740 -0.000 0.000 0.257 191 N C 0.548 176.170 175.510 0.186 0.000 0.969 191 N CA 1.394 54.586 53.050 0.238 0.000 0.786 191 N CB -1.327 37.347 38.487 0.313 0.000 0.917 191 N HN 1.003 nan 8.380 nan 0.000 0.541 192 T N -5.813 108.846 114.554 0.174 0.000 6.386 192 T HA -0.350 3.999 4.350 -0.000 0.000 0.278 192 T C 1.009 175.769 174.700 0.099 0.000 2.163 192 T CA 1.666 63.848 62.100 0.137 0.000 3.541 192 T CB -1.787 67.123 68.868 0.071 0.000 1.383 192 T HN 0.757 nan 8.240 nan 0.000 1.186 193 A N -0.534 122.337 122.820 0.084 0.000 2.172 193 A HA 0.420 4.740 4.320 -0.000 0.000 0.216 193 A C 0.786 178.204 177.584 -0.277 0.000 1.154 193 A CA 0.980 52.948 52.037 -0.114 0.000 0.701 193 A CB -0.389 18.480 19.000 -0.218 0.000 0.789 193 A HN 0.862 nan 8.150 nan 0.000 0.465 194 Y N -0.905 119.408 120.300 0.022 0.000 2.618 194 Y HA 0.542 5.092 4.550 -0.000 0.000 0.326 194 Y C 0.927 176.813 175.900 -0.024 0.000 1.168 194 Y CA -0.178 57.923 58.100 0.002 0.000 1.269 194 Y CB 0.994 39.455 38.460 0.003 0.000 1.388 194 Y HN 0.067 nan 8.280 nan 0.000 0.528 195 T N -1.895 112.750 114.554 0.152 0.000 2.906 195 T HA 0.285 4.634 4.350 -0.000 0.000 0.295 195 T C 0.204 174.923 174.700 0.032 0.000 1.075 195 T CA -0.812 61.318 62.100 0.050 0.000 1.005 195 T CB 1.247 70.130 68.868 0.025 0.000 1.136 195 T HN 0.540 nan 8.240 nan 0.000 0.498 196 L N 2.267 123.480 121.223 -0.016 0.000 2.187 196 L HA 0.198 4.538 4.340 -0.000 0.000 0.213 196 L C 2.319 179.188 176.870 -0.003 0.000 1.100 196 L CA 2.495 57.318 54.840 -0.029 0.000 0.765 196 L CB -1.098 40.936 42.059 -0.041 0.000 0.904 196 L HN 0.997 nan 8.230 nan 0.000 0.437 197 G N -1.584 107.223 108.800 0.012 0.000 2.598 197 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.215 197 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.215 197 G C 0.975 175.898 174.900 0.037 0.000 1.131 197 G CA 0.648 45.759 45.100 0.019 0.000 0.785 197 G HN 0.469 nan 8.290 nan 0.000 0.539 198 D N 0.526 120.965 120.400 0.065 0.000 2.340 198 D HA 0.250 4.890 4.640 -0.000 0.000 0.217 198 D C 2.381 178.706 176.300 0.042 0.000 1.081 198 D CA 0.490 54.551 54.000 0.101 0.000 0.842 198 D CB 0.432 41.389 40.800 0.260 0.000 0.934 198 D HN 0.245 nan 8.370 nan 0.000 0.511 199 A N 2.430 125.255 122.820 0.008 0.000 1.915 199 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 199 A C -0.224 177.345 177.584 -0.024 0.000 1.198 199 A CA 1.552 53.575 52.037 -0.023 0.000 0.647 199 A CB -1.486 17.504 19.000 -0.017 0.000 0.825 199 A HN 0.191 nan 8.150 nan 0.000 0.456 200 P HA -0.148 nan 4.420 nan 0.000 0.218 200 P C 1.529 178.829 177.300 0.001 0.000 1.149 200 P CA 1.702 64.802 63.100 -0.000 0.000 0.817 200 P CB -0.065 31.640 31.700 0.009 0.000 0.785 201 Q N -0.297 119.508 119.800 0.007 0.000 2.230 201 Q HA -0.039 4.301 4.340 -0.000 0.000 0.202 201 Q C 1.961 177.937 176.000 -0.040 0.000 0.963 201 Q CA 1.162 56.973 55.803 0.013 0.000 0.866 201 Q CB -0.997 27.781 28.738 0.068 0.000 0.931 201 Q HN 0.167 nan 8.270 nan 0.000 0.452 202 L N -0.331 120.833 121.223 -0.098 0.000 2.156 202 L HA 0.042 4.381 4.340 -0.000 0.000 0.208 202 L C 2.308 179.137 176.870 -0.068 0.000 1.095 202 L CA 0.773 55.518 54.840 -0.159 0.000 0.770 202 L CB -0.605 41.317 42.059 -0.229 0.000 0.914 202 L HN 0.298 nan 8.230 nan 0.000 0.439 203 A N -0.194 122.603 122.820 -0.038 0.000 2.067 203 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 203 A C 2.319 179.906 177.584 0.005 0.000 1.158 203 A CA 0.969 52.996 52.037 -0.016 0.000 0.661 203 A CB -0.499 18.493 19.000 -0.014 0.000 0.801 203 A HN 0.274 nan 8.150 nan 0.000 0.452 204 R N -0.787 119.722 120.500 0.016 0.000 2.293 204 R HA 0.038 4.377 4.340 -0.000 0.000 0.219 204 R C 1.025 177.409 176.300 0.139 0.000 1.091 204 R CA 0.713 56.847 56.100 0.057 0.000 1.004 204 R CB -0.235 30.098 30.300 0.054 0.000 0.865 204 R HN 0.544 nan 8.270 nan 0.000 0.469 205 L N -0.536 120.755 121.223 0.114 0.000 2.585 205 L HA 0.023 4.362 4.340 -0.000 0.000 0.226 205 L C 1.037 178.022 176.870 0.190 0.000 1.113 205 L CA -0.093 54.886 54.840 0.232 0.000 0.876 205 L CB 0.089 42.203 42.059 0.093 0.000 1.072 205 L HN -0.005 nan 8.230 nan 0.000 0.468 206 D N 1.120 121.553 120.400 0.055 0.000 2.149 206 D HA -0.178 4.461 4.640 -0.000 0.000 0.194 206 D C -0.531 175.727 176.300 -0.071 0.000 1.001 206 D CA 1.496 55.492 54.000 -0.006 0.000 0.849 206 D CB -1.168 39.614 40.800 -0.029 0.000 0.939 206 D HN 0.284 nan 8.370 nan 0.000 0.449 207 P HA -0.070 nan 4.420 nan 0.000 0.221 207 P C 1.142 178.138 177.300 -0.507 0.000 1.150 207 P CA 0.735 63.580 63.100 -0.426 0.000 0.800 207 P CB -0.257 31.041 31.700 -0.669 0.000 0.787 208 F N -0.426 119.511 119.950 -0.021 0.000 2.802 208 F HA 0.280 4.807 4.527 -0.000 0.000 0.300 208 F C 1.676 177.467 175.800 -0.015 0.000 1.168 208 F CA 0.605 58.594 58.000 -0.019 0.000 1.433 208 F CB -1.148 37.837 39.000 -0.025 0.000 1.115 208 F HN -0.042 nan 8.300 nan 0.000 0.582 209 G N 1.694 110.539 108.800 0.075 0.000 2.323 209 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.292 209 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.292 209 G C 0.018 174.953 174.900 0.058 0.000 1.040 209 G CA -0.233 44.895 45.100 0.047 0.000 0.942 209 G HN 0.317 nan 8.290 nan 0.000 0.506 210 L N -0.961 120.304 121.223 0.070 0.000 2.439 210 L HA 0.317 4.657 4.340 -0.000 0.000 0.269 210 L C 2.202 179.084 176.870 0.020 0.000 1.179 210 L CA -0.784 54.082 54.840 0.042 0.000 0.828 210 L CB 0.508 42.593 42.059 0.044 0.000 1.106 210 L HN 0.112 nan 8.230 nan 0.000 0.467 211 L N 2.510 123.732 121.223 -0.002 0.000 2.141 211 L HA -0.037 4.302 4.340 -0.000 0.000 0.209 211 L C -0.033 176.844 176.870 0.011 0.000 1.094 211 L CA 0.874 55.708 54.840 -0.010 0.000 0.763 211 L CB -0.147 41.881 42.059 -0.053 0.000 0.908 211 L HN 0.576 nan 8.230 nan 0.000 0.437 212 L N -3.956 117.278 121.223 0.018 0.000 3.020 212 L HA 0.494 4.834 4.340 -0.000 0.000 0.273 212 L C -1.106 175.800 176.870 0.060 0.000 1.018 212 L CA -0.738 54.133 54.840 0.052 0.000 0.950 212 L CB 1.682 43.797 42.059 0.093 0.000 1.510 212 L HN -0.154 nan 8.230 nan 0.000 0.404 213 I N 0.748 121.364 120.570 0.077 0.000 2.410 213 I HA 0.495 4.665 4.170 -0.000 0.000 0.286 213 I C -0.724 175.468 176.117 0.125 0.000 1.009 213 I CA -0.141 61.208 61.300 0.081 0.000 1.111 213 I CB 1.481 39.504 38.000 0.039 0.000 1.262 213 I HN 0.877 nan 8.210 nan 0.000 0.443 214 E N 6.176 126.471 120.200 0.158 0.000 2.130 214 E HA 0.121 4.471 4.350 -0.000 0.000 0.284 214 E C -0.260 176.449 176.600 0.181 0.000 1.018 214 E CA -0.440 56.073 56.400 0.188 0.000 0.817 214 E CB 0.844 30.700 29.700 0.260 0.000 1.078 214 E HN 0.628 nan 8.360 nan 0.000 0.396 215 Q N 3.646 123.540 119.800 0.156 0.000 2.437 215 Q HA -0.173 4.167 4.340 -0.000 0.000 0.354 215 Q C -2.028 174.150 176.000 0.296 0.000 1.402 215 Q CA 0.405 56.332 55.803 0.206 0.000 1.020 215 Q CB -0.335 28.486 28.738 0.139 0.000 1.220 215 Q HN 0.513 nan 8.270 nan 0.000 0.368 216 P HA -0.139 nan 4.420 nan 0.000 0.216 216 P C 0.148 177.588 177.300 0.233 0.000 1.150 216 P CA 1.397 64.646 63.100 0.248 0.000 0.837 216 P CB 0.150 31.907 31.700 0.095 0.000 0.786 217 L N -0.921 120.392 121.223 0.151 0.000 2.304 217 L HA 0.396 4.736 4.340 -0.000 0.000 0.268 217 L C 0.798 177.770 176.870 0.170 0.000 1.010 217 L CA -1.589 53.248 54.840 -0.005 0.000 0.813 217 L CB 0.388 42.224 42.059 -0.371 0.000 1.315 217 L HN -0.123 nan 8.230 nan 0.000 0.445 218 E N -0.252 119.997 120.200 0.081 0.000 2.459 218 E HA -0.114 4.236 4.350 -0.000 0.000 0.264 218 E C 0.568 177.236 176.600 0.113 0.000 1.055 218 E CA -0.102 56.341 56.400 0.071 0.000 0.957 218 E CB 0.822 30.533 29.700 0.019 0.000 0.952 218 E HN 0.726 nan 8.360 nan 0.000 0.448 219 E N 1.908 122.123 120.200 0.026 0.000 2.108 219 E HA -0.347 4.003 4.350 -0.000 0.000 0.203 219 E C 1.349 177.949 176.600 0.001 0.000 1.022 219 E CA 2.303 58.691 56.400 -0.022 0.000 0.823 219 E CB 0.038 29.684 29.700 -0.090 0.000 0.744 219 E HN 0.695 nan 8.360 nan 0.000 0.456 220 E N 0.127 120.330 120.200 0.005 0.000 2.427 220 E HA -0.060 4.289 4.350 -0.000 0.000 0.196 220 E C -0.040 176.583 176.600 0.037 0.000 1.028 220 E CA 0.457 56.860 56.400 0.006 0.000 0.864 220 E CB 0.230 29.925 29.700 -0.008 0.000 0.813 220 E HN 0.123 nan 8.360 nan 0.000 0.514 221 D N 0.160 120.609 120.400 0.081 0.000 2.631 221 D HA 0.031 4.671 4.640 -0.000 0.000 0.227 221 D C 0.678 177.112 176.300 0.222 0.000 1.146 221 D CA -0.039 54.019 54.000 0.096 0.000 1.009 221 D CB 0.450 41.269 40.800 0.031 0.000 1.057 221 D HN -0.144 nan 8.370 nan 0.000 0.509 222 V N 2.391 122.388 119.914 0.139 0.000 2.283 222 V HA -0.187 3.933 4.120 -0.000 0.000 0.243 222 V C 2.527 178.690 176.094 0.116 0.000 1.039 222 V CA 1.058 63.436 62.300 0.130 0.000 1.016 222 V CB -0.400 31.442 31.823 0.031 0.000 0.650 222 V HN 0.522 nan 8.190 nan 0.000 0.449 223 L N 0.583 121.842 121.223 0.059 0.000 2.191 223 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 223 L C 2.573 179.463 176.870 0.033 0.000 1.103 223 L CA 1.531 56.392 54.840 0.036 0.000 0.769 223 L CB -1.150 40.919 42.059 0.016 0.000 0.908 223 L HN 0.495 nan 8.230 nan 0.000 0.438 224 G N -0.865 107.951 108.800 0.025 0.000 2.404 224 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.215 224 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.215 224 G C 1.174 176.040 174.900 -0.057 0.000 1.174 224 G CA 0.654 45.730 45.100 -0.039 0.000 0.780 224 G HN 0.385 nan 8.290 nan 0.000 0.537 225 H N 0.783 119.853 119.070 0.001 0.000 2.387 225 H HA 0.081 4.636 4.556 -0.000 0.000 0.299 225 H C 2.858 178.184 175.328 -0.003 0.000 1.099 225 H CA 1.451 57.500 56.048 0.002 0.000 1.315 225 H CB -0.071 29.691 29.762 0.000 0.000 1.380 225 H HN 0.407 nan 8.280 nan 0.000 0.513 226 A N 0.811 123.701 122.820 0.117 0.000 1.908 226 A HA -0.210 4.109 4.320 -0.000 0.000 0.218 226 A C 2.249 179.852 177.584 0.031 0.000 1.181 226 A CA 1.725 53.797 52.037 0.058 0.000 0.627 226 A CB -0.226 18.795 19.000 0.036 0.000 0.818 226 A HN 0.292 nan 8.150 nan 0.000 0.445 227 E N -0.434 119.776 120.200 0.018 0.000 2.077 227 E HA -0.158 4.191 4.350 -0.000 0.000 0.193 227 E C 1.978 178.576 176.600 -0.003 0.000 0.989 227 E CA 1.149 57.550 56.400 0.002 0.000 0.800 227 E CB -0.481 29.214 29.700 -0.009 0.000 0.746 227 E HN 0.459 nan 8.360 nan 0.000 0.452 228 L N 0.971 122.187 121.223 -0.011 0.000 2.012 228 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 228 L C 2.214 179.086 176.870 0.003 0.000 1.073 228 L CA 2.379 57.208 54.840 -0.019 0.000 0.748 228 L CB -1.052 40.977 42.059 -0.050 0.000 0.891 228 L HN 0.078 nan 8.230 nan 0.000 0.431 229 A N -0.794 122.042 122.820 0.026 0.000 2.032 229 A HA -0.249 4.070 4.320 -0.000 0.000 0.221 229 A C 2.393 179.986 177.584 0.015 0.000 1.165 229 A CA 1.950 54.005 52.037 0.029 0.000 0.645 229 A CB -0.617 18.408 19.000 0.040 0.000 0.807 229 A HN 0.550 nan 8.150 nan 0.000 0.453 230 R N -1.517 118.989 120.500 0.009 0.000 2.297 230 R HA 0.164 4.504 4.340 -0.000 0.000 0.197 230 R C 1.647 177.946 176.300 -0.001 0.000 0.943 230 R CA 0.333 56.436 56.100 0.004 0.000 1.038 230 R CB 0.092 30.393 30.300 0.003 0.000 0.957 230 R HN 0.440 nan 8.270 nan 0.000 0.484 231 R N 0.020 120.518 120.500 -0.003 0.000 2.404 231 R HA 0.244 4.583 4.340 -0.000 0.000 0.237 231 R C 0.441 176.735 176.300 -0.010 0.000 0.907 231 R CA 0.189 56.284 56.100 -0.008 0.000 1.063 231 R CB 0.610 30.903 30.300 -0.011 0.000 1.134 231 R HN 0.146 nan 8.270 nan 0.000 0.529 232 I N -3.828 116.737 120.570 -0.008 0.000 3.145 232 I HA 0.329 4.498 4.170 -0.000 0.000 0.313 232 I C 0.340 176.455 176.117 -0.003 0.000 1.122 232 I CA -1.039 60.255 61.300 -0.009 0.000 0.987 232 I CB 2.178 40.169 38.000 -0.016 0.000 1.236 232 I HN -0.255 nan 8.210 nan 0.000 0.453 233 Q N 0.346 120.143 119.800 -0.004 0.000 2.297 233 Q HA 0.133 4.472 4.340 -0.000 0.000 0.203 233 Q C 0.049 176.053 176.000 0.006 0.000 0.931 233 Q CA 0.583 56.385 55.803 -0.002 0.000 0.885 233 Q CB 0.445 29.177 28.738 -0.010 0.000 0.991 233 Q HN 0.761 nan 8.270 nan 0.000 0.498 234 T N 3.990 118.550 114.554 0.010 0.000 2.829 234 T HA 0.096 4.446 4.350 -0.000 0.000 0.293 234 T C -2.430 172.285 174.700 0.025 0.000 0.970 234 T CA -0.924 61.188 62.100 0.019 0.000 1.168 234 T CB 0.555 69.435 68.868 0.020 0.000 0.911 234 T HN 0.024 nan 8.240 nan 0.000 0.535 235 P HA 0.144 nan 4.420 nan 0.000 0.268 235 P C -0.098 177.235 177.300 0.055 0.000 1.205 235 P CA -0.262 62.862 63.100 0.039 0.000 0.771 235 P CB 0.391 32.115 31.700 0.040 0.000 0.858 236 I N 2.350 122.954 120.570 0.057 0.000 2.365 236 I HA 0.214 4.384 4.170 -0.000 0.000 0.291 236 I C 0.655 176.809 176.117 0.062 0.000 1.004 236 I CA -0.229 61.114 61.300 0.073 0.000 1.311 236 I CB 0.897 38.950 38.000 0.089 0.000 1.401 236 I HN 0.372 nan 8.210 nan 0.000 0.491 237 C N 7.866 127.213 119.300 0.079 0.000 2.563 237 C HA 0.702 5.162 4.460 -0.000 0.000 0.314 237 C C -0.375 174.618 174.990 0.005 0.000 1.199 237 C CA -0.479 58.587 59.018 0.079 0.000 1.564 237 C CB 0.827 28.695 27.740 0.214 0.000 2.173 237 C HN 0.748 nan 8.230 nan 0.000 0.485 238 L N 4.691 125.871 121.223 -0.072 0.000 2.342 238 L HA 0.533 4.872 4.340 -0.000 0.000 0.271 238 L C 0.163 176.966 176.870 -0.112 0.000 1.008 238 L CA -0.199 54.557 54.840 -0.141 0.000 0.818 238 L CB 1.872 43.796 42.059 -0.226 0.000 1.296 238 L HN 0.805 nan 8.230 nan 0.000 0.427 239 D N 0.208 120.562 120.400 -0.076 0.000 3.106 239 D HA -0.018 4.622 4.640 -0.000 0.000 0.216 239 D C 1.376 177.659 176.300 -0.029 0.000 1.540 239 D CA 0.320 54.295 54.000 -0.042 0.000 1.389 239 D CB 0.273 41.115 40.800 0.070 0.000 1.080 239 D HN 0.495 nan 8.370 nan 0.000 0.270 240 E N 0.551 120.729 120.200 -0.037 0.000 2.065 240 E HA -0.139 4.211 4.350 -0.000 0.000 0.201 240 E C 2.126 178.650 176.600 -0.126 0.000 1.016 240 E CA 2.103 58.407 56.400 -0.160 0.000 0.818 240 E CB -0.292 29.243 29.700 -0.274 0.000 0.749 240 E HN 0.169 nan 8.360 nan 0.000 0.453 241 S N -0.054 115.574 115.700 -0.120 0.000 2.442 241 S HA -0.075 4.395 4.470 -0.000 0.000 0.236 241 S C 0.708 175.248 174.600 -0.099 0.000 1.007 241 S CA 0.478 58.610 58.200 -0.113 0.000 0.965 241 S CB -0.021 63.090 63.200 -0.147 0.000 0.773 241 S HN 0.145 nan 8.310 nan 0.000 0.504 242 I N 3.267 123.779 120.570 -0.097 0.000 2.227 242 I HA 0.088 4.258 4.170 -0.000 0.000 0.297 242 I C 1.161 177.240 176.117 -0.063 0.000 1.173 242 I CA -0.079 61.169 61.300 -0.087 0.000 1.356 242 I CB -0.140 37.798 38.000 -0.104 0.000 1.485 242 I HN 0.079 nan 8.210 nan 0.000 0.604 243 V N 2.447 122.328 119.914 -0.056 0.000 3.506 243 V HA 0.240 4.360 4.120 -0.000 0.000 0.263 243 V C 0.750 176.823 176.094 -0.035 0.000 1.203 243 V CA 0.499 62.775 62.300 -0.041 0.000 1.133 243 V CB -0.441 31.356 31.823 -0.042 0.000 0.802 243 V HN 0.687 nan 8.190 nan 0.000 0.459 244 S N -1.946 113.731 115.700 -0.039 0.000 2.611 244 S HA 0.778 5.248 4.470 -0.000 0.000 0.268 244 S C 0.629 175.210 174.600 -0.032 0.000 1.156 244 S CA -0.026 58.157 58.200 -0.029 0.000 0.817 244 S CB 1.154 64.340 63.200 -0.023 0.000 1.122 244 S HN 0.875 nan 8.310 nan 0.000 0.466 245 A N 1.164 123.973 122.820 -0.018 0.000 1.933 245 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 245 A C 2.127 179.698 177.584 -0.021 0.000 1.175 245 A CA 1.757 53.786 52.037 -0.013 0.000 0.628 245 A CB -0.887 18.117 19.000 0.006 0.000 0.814 245 A HN 0.872 nan 8.150 nan 0.000 0.444 246 R N -0.351 120.138 120.500 -0.020 0.000 2.092 246 R HA -0.069 4.271 4.340 -0.000 0.000 0.231 246 R C 2.270 178.545 176.300 -0.042 0.000 1.119 246 R CA 1.389 57.474 56.100 -0.024 0.000 0.970 246 R CB -0.423 29.867 30.300 -0.018 0.000 0.864 246 R HN 0.418 nan 8.270 nan 0.000 0.440 247 A N 0.988 123.781 122.820 -0.045 0.000 1.883 247 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 247 A C 2.402 179.940 177.584 -0.076 0.000 1.186 247 A CA 1.855 53.858 52.037 -0.058 0.000 0.624 247 A CB -0.965 17.999 19.000 -0.059 0.000 0.822 247 A HN 0.557 nan 8.150 nan 0.000 0.444 248 A N -0.109 122.663 122.820 -0.079 0.000 1.865 248 A HA 0.073 4.392 4.320 -0.000 0.000 0.217 248 A C 2.577 180.079 177.584 -0.137 0.000 1.191 248 A CA 2.640 54.617 52.037 -0.101 0.000 0.623 248 A CB -1.278 17.672 19.000 -0.082 0.000 0.826 248 A HN 1.212 nan 8.150 nan 0.000 0.444 249 A N -0.163 122.584 122.820 -0.122 0.000 1.883 249 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 249 A C 1.805 179.279 177.584 -0.183 0.000 1.186 249 A CA 2.156 54.082 52.037 -0.185 0.000 0.624 249 A CB -0.767 18.189 19.000 -0.074 0.000 0.822 249 A HN 0.495 nan 8.150 nan 0.000 0.444 250 D N -0.052 120.282 120.400 -0.109 0.000 2.092 250 D HA -0.078 4.561 4.640 -0.000 0.000 0.193 250 D C 2.296 178.540 176.300 -0.093 0.000 0.994 250 D CA 1.735 55.684 54.000 -0.085 0.000 0.828 250 D CB -0.572 40.193 40.800 -0.059 0.000 0.963 250 D HN 0.419 nan 8.370 nan 0.000 0.450 251 A N 0.610 123.370 122.820 -0.100 0.000 1.908 251 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 251 A C 2.420 179.940 177.584 -0.107 0.000 1.181 251 A CA 1.098 53.079 52.037 -0.094 0.000 0.627 251 A CB -0.788 18.148 19.000 -0.107 0.000 0.818 251 A HN 0.214 nan 8.150 nan 0.000 0.445 252 I N -0.664 119.810 120.570 -0.160 0.000 2.127 252 I HA -0.288 3.881 4.170 -0.000 0.000 0.241 252 I C 2.536 178.559 176.117 -0.157 0.000 1.075 252 I CA 1.708 62.894 61.300 -0.190 0.000 1.334 252 I CB -0.327 37.464 38.000 -0.349 0.000 1.040 252 I HN 0.278 nan 8.210 nan 0.000 0.405 253 K N 0.611 120.900 120.400 -0.184 0.000 2.160 253 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 253 K C 1.822 178.387 176.600 -0.058 0.000 1.047 253 K CA 1.381 57.602 56.287 -0.109 0.000 0.930 253 K CB -0.152 32.289 32.500 -0.098 0.000 0.720 253 K HN 0.355 nan 8.250 nan 0.000 0.450 254 L N -0.647 120.543 121.223 -0.056 0.000 2.592 254 L HA 0.118 4.458 4.340 -0.000 0.000 0.227 254 L C 0.992 177.851 176.870 -0.019 0.000 1.127 254 L CA 0.256 55.078 54.840 -0.030 0.000 0.884 254 L CB 0.312 42.357 42.059 -0.023 0.000 1.065 254 L HN 0.349 nan 8.230 nan 0.000 0.457 255 G N 0.259 109.043 108.800 -0.027 0.000 2.160 255 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.251 255 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.251 255 G C 0.826 175.726 174.900 0.000 0.000 1.008 255 G CA 0.400 45.493 45.100 -0.012 0.000 0.724 255 G HN 0.454 nan 8.290 nan 0.000 0.514 256 A N -1.448 121.368 122.820 -0.007 0.000 2.238 256 A HA 0.695 5.014 4.320 -0.000 0.000 0.210 256 A C 0.984 178.565 177.584 -0.006 0.000 1.179 256 A CA 1.348 53.396 52.037 0.019 0.000 0.827 256 A CB 0.609 19.622 19.000 0.022 0.000 0.856 256 A HN 1.614 nan 8.150 nan 0.000 0.488 257 V N -1.310 118.586 119.914 -0.031 0.000 3.087 257 V HA 0.372 4.492 4.120 -0.000 0.000 0.306 257 V C -0.420 175.661 176.094 -0.022 0.000 1.187 257 V CA -0.428 61.849 62.300 -0.037 0.000 0.999 257 V CB 2.122 33.898 31.823 -0.079 0.000 1.049 257 V HN 0.437 nan 8.190 nan 0.000 0.431 258 Q N 3.410 123.209 119.800 -0.002 0.000 2.288 258 Q HA 0.522 4.861 4.340 -0.000 0.000 0.256 258 Q C -0.587 175.423 176.000 0.018 0.000 0.835 258 Q CA 0.342 56.150 55.803 0.009 0.000 0.958 258 Q CB 1.615 30.366 28.738 0.022 0.000 1.125 258 Q HN 0.688 nan 8.270 nan 0.000 0.513 259 I N 0.367 120.955 120.570 0.030 0.000 2.722 259 I HA 0.338 4.507 4.170 -0.000 0.000 0.295 259 I C -1.127 174.997 176.117 0.012 0.000 1.161 259 I CA -1.060 60.276 61.300 0.060 0.000 1.032 259 I CB 2.732 40.834 38.000 0.171 0.000 1.244 259 I HN -0.309 nan 8.210 nan 0.000 0.421 260 V N 3.863 123.733 119.914 -0.073 0.000 2.540 260 V HA 0.401 4.521 4.120 -0.000 0.000 0.302 260 V C -0.347 175.468 176.094 -0.465 0.000 1.035 260 V CA -0.754 61.425 62.300 -0.202 0.000 0.873 260 V CB 1.990 33.703 31.823 -0.182 0.000 0.992 260 V HN 0.741 nan 8.190 nan 0.000 0.428 261 N N 5.168 123.516 118.700 -0.586 0.000 2.419 261 N HA 0.349 5.088 4.740 -0.000 0.000 0.264 261 N C -0.799 174.395 175.510 -0.527 0.000 1.031 261 N CA -0.330 52.108 53.050 -1.021 0.000 0.951 261 N CB 0.955 38.831 38.487 -1.018 0.000 1.101 261 N HN 0.624 nan 8.380 nan 0.000 0.488 262 I N 3.102 123.422 120.570 -0.415 0.000 2.304 262 I HA 0.215 4.385 4.170 -0.000 0.000 0.291 262 I C 0.271 176.331 176.117 -0.096 0.000 1.018 262 I CA -0.513 60.696 61.300 -0.152 0.000 1.260 262 I CB 0.795 38.808 38.000 0.022 0.000 1.390 262 I HN 0.276 nan 8.210 nan 0.000 0.475 263 K N 8.261 128.603 120.400 -0.098 0.000 2.464 263 K HA 0.305 4.625 4.320 -0.000 0.000 0.252 263 K C -1.888 174.639 176.600 -0.123 0.000 1.000 263 K CA -1.584 54.650 56.287 -0.089 0.000 0.951 263 K CB 2.101 34.563 32.500 -0.064 0.000 1.183 263 K HN 0.220 nan 8.250 nan 0.000 0.445 264 P HA -0.241 nan 4.420 nan 0.000 0.215 264 P C 1.359 178.486 177.300 -0.289 0.000 1.163 264 P CA 1.459 64.321 63.100 -0.397 0.000 0.894 264 P CB 0.217 31.283 31.700 -1.057 0.000 0.791 265 G N -0.109 108.561 108.800 -0.216 0.000 2.446 265 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 265 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 265 G C 1.826 176.701 174.900 -0.042 0.000 1.168 265 G CA 0.870 45.913 45.100 -0.094 0.000 0.771 265 G HN 0.226 nan 8.290 nan 0.000 0.551 266 R N 0.292 120.776 120.500 -0.026 0.000 2.103 266 R HA -0.101 4.239 4.340 -0.000 0.000 0.242 266 R C 2.569 178.867 176.300 -0.004 0.000 1.142 266 R CA 1.952 58.069 56.100 0.029 0.000 0.960 266 R CB -0.329 30.014 30.300 0.072 0.000 0.858 266 R HN 0.446 nan 8.270 nan 0.000 0.439 267 V N -3.245 116.646 119.914 -0.039 0.000 3.623 267 V HA 0.356 4.475 4.120 -0.000 0.000 0.271 267 V C 0.893 176.969 176.094 -0.029 0.000 1.248 267 V CA 0.666 62.944 62.300 -0.036 0.000 1.156 267 V CB 0.197 31.994 31.823 -0.044 0.000 0.870 267 V HN 0.461 nan 8.190 nan 0.000 0.453 268 G N -1.311 107.472 108.800 -0.029 0.000 2.130 268 G HA2 0.326 4.286 3.960 -0.000 0.000 0.216 268 G HA3 0.326 4.286 3.960 -0.000 0.000 0.216 268 G C 0.680 175.576 174.900 -0.007 0.000 0.999 268 G CA -0.163 44.934 45.100 -0.005 0.000 0.686 268 G HN 2.304 nan 8.290 nan 0.000 0.515 269 G N -2.662 106.103 108.800 -0.058 0.000 2.333 269 G HA2 0.382 4.342 3.960 -0.000 0.000 0.330 269 G HA3 0.382 4.342 3.960 -0.000 0.000 0.330 269 G C 0.033 174.863 174.900 -0.116 0.000 1.465 269 G CA 0.212 45.291 45.100 -0.035 0.000 0.996 269 G HN 0.531 nan 8.290 nan 0.000 0.655 270 Y N 0.235 120.560 120.300 0.043 0.000 2.242 270 Y HA 0.036 4.586 4.550 -0.001 0.000 0.291 270 Y C 2.973 178.866 175.900 -0.011 0.000 1.137 270 Y CA 1.843 59.959 58.100 0.026 0.000 1.181 270 Y CB -0.082 38.394 38.460 0.027 0.000 0.989 270 Y HN 0.422 nan 8.280 nan 0.000 0.527 271 L N -0.495 120.781 121.223 0.089 0.000 2.046 271 L HA -0.205 4.134 4.340 -0.000 0.000 0.208 271 L C 2.379 179.270 176.870 0.034 0.000 1.077 271 L CA 1.749 56.611 54.840 0.036 0.000 0.747 271 L CB -0.468 41.599 42.059 0.013 0.000 0.896 271 L HN 0.169 nan 8.230 nan 0.000 0.432 272 E N 0.647 120.860 120.200 0.023 0.000 2.107 272 E HA -0.155 4.194 4.350 -0.000 0.000 0.191 272 E C 2.149 178.764 176.600 0.025 0.000 0.982 272 E CA 1.229 57.639 56.400 0.016 0.000 0.809 272 E CB -0.040 29.661 29.700 0.002 0.000 0.756 272 E HN 0.336 nan 8.360 nan 0.000 0.459 273 A N 1.393 124.220 122.820 0.013 0.000 1.917 273 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 273 A C 2.292 179.955 177.584 0.131 0.000 1.182 273 A CA 1.831 53.894 52.037 0.044 0.000 0.633 273 A CB -0.696 18.299 19.000 -0.009 0.000 0.819 273 A HN 0.242 nan 8.150 nan 0.000 0.448 274 R N -0.369 120.203 120.500 0.119 0.000 2.073 274 R HA -0.120 4.219 4.340 -0.000 0.000 0.234 274 R C 2.375 178.775 176.300 0.167 0.000 1.134 274 R CA 1.597 57.782 56.100 0.142 0.000 0.952 274 R CB -0.322 30.024 30.300 0.077 0.000 0.850 274 R HN 0.567 nan 8.270 nan 0.000 0.433 275 R N -0.198 120.363 120.500 0.102 0.000 2.096 275 R HA -0.090 4.249 4.340 -0.000 0.000 0.235 275 R C 2.295 178.644 176.300 0.082 0.000 1.127 275 R CA 1.482 57.631 56.100 0.082 0.000 0.968 275 R CB -0.304 30.024 30.300 0.047 0.000 0.861 275 R HN 0.111 nan 8.270 nan 0.000 0.440 276 V N 0.598 120.558 119.914 0.076 0.000 2.407 276 V HA -0.267 3.852 4.120 -0.000 0.000 0.248 276 V C 2.425 178.543 176.094 0.040 0.000 1.055 276 V CA 1.791 64.115 62.300 0.039 0.000 1.049 276 V CB -0.795 31.034 31.823 0.011 0.000 0.662 276 V HN 0.462 nan 8.190 nan 0.000 0.455 277 H N 0.391 119.465 119.070 0.008 0.000 2.321 277 H HA -0.176 4.380 4.556 -0.000 0.000 0.300 277 H C 2.021 177.351 175.328 0.004 0.000 1.087 277 H CA 2.071 58.111 56.048 -0.012 0.000 1.319 277 H CB 0.026 29.873 29.762 0.140 0.000 1.379 277 H HN 0.413 nan 8.280 nan 0.000 0.501 278 D N 0.298 120.753 120.400 0.093 0.000 2.117 278 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 278 D C 2.546 178.826 176.300 -0.033 0.000 0.982 278 D CA 0.787 54.802 54.000 0.024 0.000 0.828 278 D CB -0.278 40.587 40.800 0.108 0.000 0.967 278 D HN 0.227 nan 8.370 nan 0.000 0.464 279 V N 0.819 120.739 119.914 0.009 0.000 2.295 279 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 279 V C 2.733 178.882 176.094 0.092 0.000 1.049 279 V CA 1.354 63.690 62.300 0.061 0.000 1.024 279 V CB -0.505 31.357 31.823 0.065 0.000 0.648 279 V HN 0.286 nan 8.190 nan 0.000 0.447 280 C N -0.029 119.258 119.300 -0.021 0.000 2.429 280 C HA -0.103 4.356 4.460 -0.000 0.000 0.277 280 C C 3.081 178.029 174.990 -0.071 0.000 1.262 280 C CA 0.757 59.746 59.018 -0.050 0.000 1.733 280 C CB -1.362 26.289 27.740 -0.148 0.000 2.010 280 C HN 0.649 nan 8.230 nan 0.000 0.483 281 A N 0.703 123.413 122.820 -0.184 0.000 1.865 281 A HA -0.023 4.296 4.320 -0.000 0.000 0.217 281 A C 2.389 179.914 177.584 -0.099 0.000 1.191 281 A CA 2.268 54.197 52.037 -0.179 0.000 0.623 281 A CB -1.142 17.705 19.000 -0.256 0.000 0.826 281 A HN 0.621 nan 8.150 nan 0.000 0.444 282 A N -1.334 121.425 122.820 -0.103 0.000 2.084 282 A HA -0.196 4.124 4.320 -0.000 0.000 0.221 282 A C 1.735 179.158 177.584 -0.268 0.000 1.161 282 A CA 1.987 53.922 52.037 -0.170 0.000 0.653 282 A CB -0.799 18.077 19.000 -0.206 0.000 0.802 282 A HN 0.742 nan 8.150 nan 0.000 0.457 283 H N -2.020 117.017 119.070 -0.056 0.000 2.586 283 H HA 0.374 4.930 4.556 -0.000 0.000 0.273 283 H C 1.430 176.733 175.328 -0.043 0.000 0.997 283 H CA 0.522 56.543 56.048 -0.045 0.000 1.177 283 H CB 0.385 30.119 29.762 -0.045 0.000 1.471 283 H HN 0.576 nan 8.280 nan 0.000 0.538 284 G N 1.088 109.905 108.800 0.028 0.000 2.160 284 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.244 284 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.244 284 G C -0.201 174.704 174.900 0.009 0.000 1.022 284 G CA 0.007 45.112 45.100 0.008 0.000 0.741 284 G HN 0.231 nan 8.290 nan 0.000 0.508 285 I N 1.112 121.681 120.570 -0.000 0.000 2.312 285 I HA 0.293 4.462 4.170 -0.000 0.000 0.290 285 I C -2.058 174.022 176.117 -0.061 0.000 1.008 285 I CA -2.586 58.701 61.300 -0.021 0.000 1.226 285 I CB 1.177 39.159 38.000 -0.030 0.000 1.371 285 I HN -0.144 nan 8.210 nan 0.000 0.468 286 P HA 0.202 nan 4.420 nan 0.000 0.271 286 P C -0.370 176.894 177.300 -0.060 0.000 1.218 286 P CA -0.062 63.019 63.100 -0.033 0.000 0.780 286 P CB 1.025 32.746 31.700 0.035 0.000 0.901 287 V N -0.374 119.449 119.914 -0.152 0.000 3.155 287 V HA 0.891 5.010 4.120 -0.000 0.000 0.313 287 V C -1.387 174.650 176.094 -0.095 0.000 1.162 287 V CA -0.916 61.221 62.300 -0.272 0.000 1.048 287 V CB 2.543 34.013 31.823 -0.587 0.000 1.092 287 V HN 0.780 nan 8.190 nan 0.000 0.447 288 W N -0.526 120.657 121.300 -0.195 0.000 3.363 288 W HA 0.605 5.265 4.660 -0.000 0.000 0.306 288 W C -1.420 175.250 176.519 0.252 0.000 1.253 288 W CA -1.222 56.180 57.345 0.095 0.000 1.195 288 W CB 0.882 30.394 29.460 0.088 0.000 1.366 288 W HN 0.881 nan 8.180 nan 0.000 0.551 289 C N 3.141 122.870 119.300 0.716 0.000 2.576 289 C HA 0.662 5.122 4.460 -0.000 0.000 0.401 289 C C 1.209 176.368 174.990 0.282 0.000 1.314 289 C CA 1.059 60.339 59.018 0.436 0.000 1.855 289 C CB -0.647 27.292 27.740 0.333 0.000 2.537 289 C HN 0.798 nan 8.230 nan 0.000 0.578 290 G N 3.759 112.554 108.800 -0.008 0.000 2.502 290 G HA2 0.664 4.624 3.960 -0.000 0.000 0.305 290 G HA3 0.664 4.624 3.960 -0.000 0.000 0.305 290 G C -0.193 174.751 174.900 0.073 0.000 1.190 290 G CA 0.001 45.102 45.100 0.000 0.000 0.933 290 G HN 1.196 nan 8.290 nan 0.000 0.503 291 G N -0.909 107.938 108.800 0.078 0.000 2.563 291 G HA2 0.494 4.454 3.960 -0.000 0.000 0.302 291 G HA3 0.494 4.454 3.960 -0.000 0.000 0.302 291 G C -0.369 174.504 174.900 -0.046 0.000 1.301 291 G CA -0.619 44.494 45.100 0.022 0.000 0.965 291 G HN 0.364 nan 8.290 nan 0.000 0.480 292 M N 2.525 122.072 119.600 -0.088 0.000 3.075 292 M HA 0.290 4.770 4.480 -0.000 0.000 0.340 292 M C 0.736 176.926 176.300 -0.184 0.000 1.329 292 M CA -0.553 54.663 55.300 -0.140 0.000 0.778 292 M CB -0.473 32.045 32.600 -0.136 0.000 1.389 292 M HN 0.643 nan 8.290 nan 0.000 0.499 293 I N 0.806 121.184 120.570 -0.321 0.000 6.224 293 I HA -0.358 3.812 4.170 -0.000 0.000 0.126 293 I C 0.024 176.000 176.117 -0.235 0.000 1.640 293 I CA 0.674 61.605 61.300 -0.614 0.000 2.446 293 I CB -1.426 36.051 38.000 -0.872 0.000 3.098 293 I HN 0.428 nan 8.210 nan 0.000 0.277 294 E N 0.751 120.914 120.200 -0.061 0.000 2.369 294 E HA 0.346 4.696 4.350 -0.000 0.000 0.255 294 E C 1.026 177.743 176.600 0.195 0.000 1.172 294 E CA 0.131 56.568 56.400 0.062 0.000 0.932 294 E CB 0.459 30.177 29.700 0.029 0.000 1.040 294 E HN 0.397 nan 8.360 nan 0.000 0.454 295 T N -2.172 112.442 114.554 0.100 0.000 2.698 295 T HA 0.187 4.536 4.350 -0.000 0.000 0.295 295 T C 1.384 176.117 174.700 0.055 0.000 1.007 295 T CA -0.321 61.795 62.100 0.028 0.000 0.980 295 T CB 0.806 69.612 68.868 -0.104 0.000 1.036 295 T HN 0.506 nan 8.240 nan 0.000 0.526 296 G N -0.335 108.508 108.800 0.071 0.000 2.527 296 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.219 296 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.219 296 G C 1.341 176.293 174.900 0.087 0.000 1.117 296 G CA 0.513 45.716 45.100 0.173 0.000 0.759 296 G HN 0.674 nan 8.290 nan 0.000 0.556 297 L N 0.282 121.500 121.223 -0.008 0.000 2.007 297 L HA 0.059 4.398 4.340 -0.000 0.000 0.205 297 L C 3.164 180.002 176.870 -0.053 0.000 1.073 297 L CA 1.286 56.098 54.840 -0.047 0.000 0.744 297 L CB -0.889 41.145 42.059 -0.042 0.000 0.898 297 L HN 0.297 nan 8.230 nan 0.000 0.435 298 G N -0.460 108.336 108.800 -0.006 0.000 2.404 298 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.215 298 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.215 298 G C 1.706 176.584 174.900 -0.035 0.000 1.174 298 G CA 0.640 45.761 45.100 0.035 0.000 0.780 298 G HN 0.195 nan 8.290 nan 0.000 0.537 299 R N 0.538 120.974 120.500 -0.107 0.000 2.113 299 R HA -0.157 4.183 4.340 -0.000 0.000 0.244 299 R C 2.868 178.876 176.300 -0.486 0.000 1.142 299 R CA 1.890 57.799 56.100 -0.318 0.000 0.953 299 R CB -0.451 29.571 30.300 -0.463 0.000 0.860 299 R HN 0.310 nan 8.270 nan 0.000 0.438 300 A N 0.362 122.984 122.820 -0.330 0.000 1.859 300 A HA -0.186 4.133 4.320 -0.000 0.000 0.217 300 A C 2.381 179.868 177.584 -0.162 0.000 1.198 300 A CA 2.059 54.034 52.037 -0.105 0.000 0.629 300 A CB -1.137 17.899 19.000 0.060 0.000 0.830 300 A HN 0.564 nan 8.150 nan 0.000 0.446 301 A N -0.276 122.381 122.820 -0.270 0.000 1.972 301 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 301 A C 1.819 179.353 177.584 -0.083 0.000 1.169 301 A CA 1.782 53.615 52.037 -0.339 0.000 0.635 301 A CB -0.592 17.930 19.000 -0.798 0.000 0.810 301 A HN 0.571 nan 8.150 nan 0.000 0.446 302 N N -0.087 118.624 118.700 0.017 0.000 2.354 302 N HA -0.058 4.682 4.740 -0.000 0.000 0.179 302 N C 1.524 177.006 175.510 -0.045 0.000 1.021 302 N CA 1.272 54.376 53.050 0.089 0.000 0.887 302 N CB -0.358 38.161 38.487 0.053 0.000 0.974 302 N HN 0.272 nan 8.380 nan 0.000 0.437 303 V N 1.299 121.150 119.914 -0.106 0.000 2.453 303 V HA -0.106 4.014 4.120 -0.000 0.000 0.247 303 V C 2.354 178.410 176.094 -0.065 0.000 1.048 303 V CA 1.508 63.755 62.300 -0.089 0.000 1.049 303 V CB -0.862 30.920 31.823 -0.069 0.000 0.672 303 V HN 0.250 nan 8.190 nan 0.000 0.457 304 A N 0.291 123.089 122.820 -0.037 0.000 1.851 304 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 304 A C 2.186 179.711 177.584 -0.098 0.000 1.195 304 A CA 2.354 54.381 52.037 -0.016 0.000 0.622 304 A CB -0.757 18.279 19.000 0.059 0.000 0.831 304 A HN 0.459 nan 8.150 nan 0.000 0.444 305 L N -0.287 120.872 121.223 -0.108 0.000 2.083 305 L HA -0.040 4.300 4.340 -0.000 0.000 0.209 305 L C 2.443 178.849 176.870 -0.775 0.000 1.083 305 L CA 2.185 56.868 54.840 -0.262 0.000 0.752 305 L CB -0.525 41.523 42.059 -0.018 0.000 0.899 305 L HN 0.331 nan 8.230 nan 0.000 0.433 306 A N -1.362 121.094 122.820 -0.606 0.000 2.239 306 A HA -0.055 4.265 4.320 -0.000 0.000 0.209 306 A C 2.234 179.558 177.584 -0.434 0.000 1.171 306 A CA 1.066 52.663 52.037 -0.732 0.000 0.768 306 A CB -0.843 18.021 19.000 -0.227 0.000 0.790 306 A HN 0.636 nan 8.150 nan 0.000 0.478 307 S N -1.270 114.241 115.700 -0.314 0.000 2.556 307 S HA 0.308 4.778 4.470 -0.000 0.000 0.216 307 S C 0.320 174.882 174.600 -0.062 0.000 0.970 307 S CA -0.412 57.725 58.200 -0.105 0.000 0.912 307 S CB -0.468 62.704 63.200 -0.046 0.000 0.790 307 S HN 0.159 nan 8.310 nan 0.000 0.504 308 L N 2.498 123.614 121.223 -0.178 0.000 2.467 308 L HA 0.330 4.670 4.340 -0.000 0.000 0.270 308 L C -1.345 175.692 176.870 0.280 0.000 1.205 308 L CA -1.546 53.270 54.840 -0.041 0.000 0.828 308 L CB 0.147 41.995 42.059 -0.351 0.000 1.101 308 L HN -0.006 nan 8.230 nan 0.000 0.479 309 P HA -0.147 nan 4.420 nan 0.000 0.218 309 P C 0.870 178.414 177.300 0.407 0.000 1.148 309 P CA 1.235 64.527 63.100 0.320 0.000 0.822 309 P CB 0.221 32.075 31.700 0.257 0.000 0.784 310 N N -1.556 117.592 118.700 0.747 0.000 2.412 310 N HA -0.002 4.738 4.740 -0.000 0.000 0.184 310 N C -0.096 175.526 175.510 0.186 0.000 1.101 310 N CA -0.080 53.130 53.050 0.267 0.000 0.881 310 N CB -0.610 37.669 38.487 -0.347 0.000 0.969 310 N HN -0.093 nan 8.380 nan 0.000 0.459 311 F N 1.012 121.140 119.950 0.297 0.000 2.685 311 F HA 0.068 4.594 4.527 -0.000 0.000 0.349 311 F C 1.517 177.418 175.800 0.167 0.000 1.294 311 F CA 0.102 58.235 58.000 0.222 0.000 1.201 311 F CB -0.529 38.582 39.000 0.185 0.000 1.615 311 F HN 0.027 nan 8.300 nan 0.000 0.674 312 T N -0.655 114.023 114.554 0.207 0.000 3.219 312 T HA 0.398 4.748 4.350 -0.000 0.000 0.249 312 T C 0.097 174.873 174.700 0.126 0.000 1.099 312 T CA 0.090 62.280 62.100 0.150 0.000 0.988 312 T CB -0.476 68.450 68.868 0.096 0.000 0.999 312 T HN 0.149 nan 8.240 nan 0.000 0.550 313 L N 0.866 122.190 121.223 0.169 0.000 2.445 313 L HA 0.556 4.896 4.340 -0.000 0.000 0.262 313 L C -2.676 174.253 176.870 0.098 0.000 0.974 313 L CA -2.364 52.521 54.840 0.075 0.000 0.822 313 L CB 2.119 44.168 42.059 -0.016 0.000 1.339 313 L HN -0.211 nan 8.230 nan 0.000 0.409 314 P HA 0.200 nan 4.420 nan 0.000 0.265 314 P C -0.177 177.112 177.300 -0.019 0.000 1.193 314 P CA -0.042 63.043 63.100 -0.025 0.000 0.765 314 P CB 0.668 32.315 31.700 -0.088 0.000 0.823 315 G N 1.379 110.267 108.800 0.146 0.000 2.601 315 G HA2 0.258 4.218 3.960 -0.000 0.000 0.317 315 G HA3 0.258 4.218 3.960 -0.000 0.000 0.317 315 G C -0.641 174.365 174.900 0.176 0.000 1.246 315 G CA -0.558 44.754 45.100 0.353 0.000 1.012 315 G HN 0.295 nan 8.290 nan 0.000 0.494 316 D N 1.032 121.614 120.400 0.303 0.000 2.767 316 D HA 0.174 4.814 4.640 -0.000 0.000 0.231 316 D C 0.910 177.257 176.300 0.078 0.000 1.105 316 D CA 0.231 54.318 54.000 0.145 0.000 1.024 316 D CB -0.104 40.837 40.800 0.234 0.000 1.123 316 D HN 0.336 nan 8.370 nan 0.000 0.470 317 T N -2.401 112.177 114.554 0.039 0.000 3.316 317 T HA 0.268 4.617 4.350 -0.000 0.000 0.253 317 T C 0.778 175.492 174.700 0.023 0.000 0.995 317 T CA -0.690 61.414 62.100 0.007 0.000 1.031 317 T CB 0.127 68.994 68.868 -0.001 0.000 1.125 317 T HN -0.166 nan 8.240 nan 0.000 0.539 318 S N 1.783 117.474 115.700 -0.015 0.000 2.611 318 S HA 0.548 5.018 4.470 -0.000 0.000 0.252 318 S C 0.990 175.688 174.600 0.162 0.000 1.369 318 S CA -0.479 57.745 58.200 0.039 0.000 0.975 318 S CB 0.136 63.128 63.200 -0.347 0.000 0.937 318 S HN 0.914 nan 8.310 nan 0.000 0.584 319 A N 0.769 123.769 122.820 0.300 0.000 2.322 319 A HA 0.475 4.794 4.320 -0.000 0.000 0.269 319 A C 1.413 179.124 177.584 0.212 0.000 1.094 319 A CA -0.468 51.721 52.037 0.254 0.000 0.807 319 A CB -0.016 19.122 19.000 0.230 0.000 1.047 319 A HN 0.709 nan 8.150 nan 0.000 0.487 320 S N 1.063 116.925 115.700 0.270 0.000 2.406 320 S HA -0.294 4.176 4.470 -0.000 0.000 0.242 320 S C 1.644 176.380 174.600 0.227 0.000 1.079 320 S CA 2.300 60.671 58.200 0.285 0.000 1.133 320 S CB -0.520 62.867 63.200 0.313 0.000 1.005 320 S HN 1.018 nan 8.310 nan 0.000 0.443 321 D N 1.177 121.680 120.400 0.172 0.000 2.354 321 D HA -0.182 4.458 4.640 -0.000 0.000 0.216 321 D C 1.639 177.965 176.300 0.043 0.000 0.970 321 D CA 0.719 54.792 54.000 0.122 0.000 0.905 321 D CB -0.440 40.421 40.800 0.102 0.000 0.903 321 D HN 0.262 nan 8.370 nan 0.000 0.508 322 R N -0.736 119.753 120.500 -0.019 0.000 2.193 322 R HA -0.072 4.268 4.340 -0.000 0.000 0.229 322 R C 0.837 176.776 176.300 -0.601 0.000 1.110 322 R CA 0.812 56.760 56.100 -0.255 0.000 0.988 322 R CB -0.264 29.798 30.300 -0.396 0.000 0.871 322 R HN 0.355 nan 8.270 nan 0.000 0.458 323 F N -2.562 117.253 119.950 -0.224 0.000 2.577 323 F HA 0.227 4.754 4.527 -0.000 0.000 0.282 323 F C 0.122 175.698 175.800 -0.374 0.000 0.957 323 F CA -0.470 57.257 58.000 -0.455 0.000 1.168 323 F CB 0.479 38.909 39.000 -0.950 0.000 0.958 323 F HN -0.215 nan 8.300 nan 0.000 0.702 324 Y N 1.238 121.665 120.300 0.212 0.000 2.341 324 Y HA 0.259 4.809 4.550 -0.000 0.000 0.337 324 Y C 1.132 177.085 175.900 0.088 0.000 1.014 324 Y CA -0.807 57.372 58.100 0.132 0.000 1.111 324 Y CB 1.743 40.273 38.460 0.116 0.000 1.194 324 Y HN -0.172 nan 8.280 nan 0.000 0.462 325 K N 1.050 121.594 120.400 0.241 0.000 2.031 325 K HA 0.007 4.327 4.320 -0.000 0.000 0.205 325 K C -0.220 176.453 176.600 0.123 0.000 1.049 325 K CA 1.160 57.532 56.287 0.141 0.000 0.939 325 K CB 0.183 32.745 32.500 0.102 0.000 0.717 325 K HN 0.599 nan 8.250 nan 0.000 0.438 326 T N 1.397 116.019 114.554 0.113 0.000 2.847 326 T HA 0.131 4.481 4.350 -0.000 0.000 0.291 326 T C -1.189 173.515 174.700 0.007 0.000 0.998 326 T CA -0.861 61.271 62.100 0.053 0.000 0.967 326 T CB 1.639 70.518 68.868 0.017 0.000 0.954 326 T HN 0.102 nan 8.240 nan 0.000 0.441 327 D N 1.589 121.996 120.400 0.013 0.000 2.312 327 D HA 0.238 4.877 4.640 -0.000 0.000 0.248 327 D C 1.397 177.642 176.300 -0.091 0.000 1.086 327 D CA -0.972 52.998 54.000 -0.050 0.000 0.948 327 D CB 1.089 41.925 40.800 0.059 0.000 1.162 327 D HN 0.563 nan 8.370 nan 0.000 0.446 328 I N -0.917 119.567 120.570 -0.144 0.000 3.251 328 I HA 0.094 4.263 4.170 -0.000 0.000 0.277 328 I C 0.802 176.829 176.117 -0.149 0.000 1.268 328 I CA 0.197 61.403 61.300 -0.156 0.000 1.449 328 I CB -0.228 37.651 38.000 -0.201 0.000 1.083 328 I HN 0.229 nan 8.210 nan 0.000 0.464 329 T N -2.093 112.399 114.554 -0.104 0.000 2.773 329 T HA 0.457 4.807 4.350 -0.000 0.000 0.278 329 T C -0.331 174.327 174.700 -0.071 0.000 1.011 329 T CA -0.735 61.306 62.100 -0.099 0.000 1.014 329 T CB 1.582 70.407 68.868 -0.073 0.000 1.293 329 T HN 0.055 nan 8.240 nan 0.000 0.554 330 E N 2.520 122.659 120.200 -0.101 0.000 2.417 330 E HA 0.302 4.652 4.350 -0.000 0.000 0.261 330 E C -2.205 174.307 176.600 -0.146 0.000 1.000 330 E CA -1.300 55.025 56.400 -0.125 0.000 0.919 330 E CB 0.122 29.721 29.700 -0.169 0.000 0.955 330 E HN 0.370 nan 8.360 nan 0.000 0.455 331 P HA -0.006 nan 4.420 nan 0.000 0.270 331 P C -0.795 176.416 177.300 -0.149 0.000 1.227 331 P CA 0.221 63.322 63.100 0.001 0.000 0.788 331 P CB 0.353 32.085 31.700 0.053 0.000 0.926 332 F N -0.016 119.960 119.950 0.043 0.000 2.385 332 F HA 0.295 4.822 4.527 -0.001 0.000 0.360 332 F C 0.036 175.865 175.800 0.048 0.000 1.122 332 F CA -0.311 57.715 58.000 0.044 0.000 1.090 332 F CB 1.043 40.078 39.000 0.058 0.000 1.150 332 F HN -0.095 nan 8.300 nan 0.000 0.472 333 V N 5.255 125.241 119.914 0.119 0.000 2.448 333 V HA 0.267 4.387 4.120 -0.000 0.000 0.295 333 V C -0.295 175.847 176.094 0.079 0.000 1.025 333 V CA -1.033 61.317 62.300 0.083 0.000 0.859 333 V CB 1.635 33.471 31.823 0.021 0.000 0.988 333 V HN 0.442 nan 8.190 nan 0.000 0.431 334 L N 4.150 125.403 121.223 0.050 0.000 2.562 334 L HA 0.216 4.556 4.340 -0.000 0.000 0.271 334 L C 0.711 177.577 176.870 -0.006 0.000 1.167 334 L CA 1.088 55.930 54.840 0.003 0.000 0.917 334 L CB 0.880 42.847 42.059 -0.154 0.000 1.187 334 L HN 0.775 nan 8.230 nan 0.000 0.482 335 S N 4.196 119.916 115.700 0.033 0.000 2.505 335 S HA 0.554 5.023 4.470 -0.000 0.000 0.280 335 S C 0.564 175.180 174.600 0.027 0.000 1.197 335 S CA -0.032 58.179 58.200 0.018 0.000 1.138 335 S CB -0.180 63.030 63.200 0.017 0.000 1.010 335 S HN 1.166 nan 8.310 nan 0.000 0.480 336 G N 2.911 111.713 108.800 0.004 0.000 2.333 336 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.296 336 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.296 336 G C 1.087 176.058 174.900 0.118 0.000 1.059 336 G CA 0.288 45.397 45.100 0.016 0.000 1.050 336 G HN 2.021 nan 8.290 nan 0.000 0.508 337 G N -1.438 107.414 108.800 0.086 0.000 2.155 337 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.257 337 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.257 337 G C 0.277 175.295 174.900 0.198 0.000 0.983 337 G CA 1.284 46.458 45.100 0.122 0.000 0.676 337 G HN 1.384 nan 8.290 nan 0.000 0.528 338 H N -1.927 117.152 119.070 0.014 0.000 2.855 338 H HA 0.737 5.293 4.556 -0.000 0.000 0.363 338 H C -0.992 174.376 175.328 0.066 0.000 1.185 338 H CA -0.966 55.110 56.048 0.047 0.000 1.174 338 H CB 2.097 31.884 29.762 0.042 0.000 1.857 338 H HN 0.098 nan 8.280 nan 0.000 0.565 339 L N 1.985 123.338 121.223 0.217 0.000 2.388 339 L HA 0.380 4.719 4.340 -0.000 0.000 0.264 339 L C -2.599 174.391 176.870 0.200 0.000 0.998 339 L CA -1.871 53.095 54.840 0.210 0.000 0.817 339 L CB 2.438 44.627 42.059 0.216 0.000 1.338 339 L HN 0.411 nan 8.230 nan 0.000 0.414 340 P HA 0.286 nan 4.420 nan 0.000 0.296 340 P C -0.895 176.505 177.300 0.167 0.000 1.306 340 P CA -0.450 62.734 63.100 0.140 0.000 0.818 340 P CB 1.465 33.210 31.700 0.075 0.000 0.969 341 V N 6.256 126.243 119.914 0.122 0.000 2.572 341 V HA 0.099 4.219 4.120 -0.000 0.000 0.291 341 V C -1.705 174.445 176.094 0.093 0.000 1.039 341 V CA -1.058 61.308 62.300 0.110 0.000 1.055 341 V CB -0.274 31.592 31.823 0.071 0.000 0.969 341 V HN 0.552 nan 8.190 nan 0.000 0.482 342 P HA 0.124 nan 4.420 nan 0.000 0.266 342 P C 0.717 178.045 177.300 0.046 0.000 1.195 342 P CA 0.107 63.248 63.100 0.067 0.000 0.768 342 P CB 0.479 32.227 31.700 0.080 0.000 0.838 343 T N -1.355 113.214 114.554 0.026 0.000 2.990 343 T HA 0.232 4.581 4.350 -0.000 0.000 0.250 343 T C 1.068 175.785 174.700 0.027 0.000 1.041 343 T CA 0.018 62.134 62.100 0.026 0.000 1.010 343 T CB -0.261 68.617 68.868 0.016 0.000 1.003 343 T HN 0.448 nan 8.240 nan 0.000 0.499 344 G N 3.041 111.853 108.800 0.020 0.000 2.634 344 G HA2 0.505 4.464 3.960 -0.000 0.000 0.255 344 G HA3 0.505 4.464 3.960 -0.000 0.000 0.255 344 G C -2.547 172.380 174.900 0.046 0.000 1.205 344 G CA -1.244 43.871 45.100 0.024 0.000 0.884 344 G HN 0.116 nan 8.290 nan 0.000 0.549 345 P HA 0.194 nan 4.420 nan 0.000 0.271 345 P C 1.193 178.554 177.300 0.100 0.000 1.238 345 P CA 0.886 64.035 63.100 0.082 0.000 0.794 345 P CB 0.171 31.916 31.700 0.076 0.000 0.959 346 G N 0.111 109.011 108.800 0.166 0.000 2.627 346 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.312 346 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.312 346 G C 1.000 175.956 174.900 0.093 0.000 1.299 346 G CA 0.650 45.888 45.100 0.230 0.000 0.989 346 G HN 0.482 nan 8.290 nan 0.000 0.547 347 L N 1.384 122.480 121.223 -0.211 0.000 2.141 347 L HA 0.258 4.598 4.340 -0.000 0.000 0.209 347 L C 2.734 179.504 176.870 -0.167 0.000 1.094 347 L CA 1.737 56.294 54.840 -0.471 0.000 0.763 347 L CB -0.586 41.173 42.059 -0.500 0.000 0.908 347 L HN 2.043 nan 8.230 nan 0.000 0.437 348 G N -0.874 107.889 108.800 -0.061 0.000 2.175 348 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 348 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 348 G C 0.064 174.943 174.900 -0.034 0.000 0.982 348 G CA 0.009 45.097 45.100 -0.020 0.000 0.641 348 G HN 0.136 nan 8.290 nan 0.000 0.527 349 V N -0.251 119.632 119.914 -0.051 0.000 3.130 349 V HA 0.979 5.099 4.120 -0.000 0.000 0.310 349 V C -0.040 176.000 176.094 -0.089 0.000 1.158 349 V CA -0.085 62.177 62.300 -0.063 0.000 1.029 349 V CB 2.089 33.898 31.823 -0.025 0.000 1.057 349 V HN 1.669 nan 8.190 nan 0.000 0.436 350 A N 3.010 125.750 122.820 -0.133 0.000 2.574 350 A HA 0.935 5.254 4.320 -0.000 0.000 0.297 350 A C -3.202 174.209 177.584 -0.287 0.000 1.062 350 A CA -1.432 50.469 52.037 -0.226 0.000 0.686 350 A CB 2.185 21.114 19.000 -0.118 0.000 1.285 350 A HN 0.540 nan 8.150 nan 0.000 0.403 351 P HA 0.367 nan 4.420 nan 0.000 0.271 351 P C -0.667 176.474 177.300 -0.265 0.000 1.216 351 P CA 0.126 62.973 63.100 -0.421 0.000 0.776 351 P CB 0.459 31.753 31.700 -0.676 0.000 0.881 352 I N 5.811 126.269 120.570 -0.186 0.000 2.269 352 I HA 0.131 4.301 4.170 -0.000 0.000 0.293 352 I C -1.131 174.921 176.117 -0.108 0.000 1.106 352 I CA -2.093 59.135 61.300 -0.121 0.000 1.248 352 I CB 1.005 38.949 38.000 -0.094 0.000 1.444 352 I HN 0.300 nan 8.210 nan 0.000 0.497 353 P HA -0.277 nan 4.420 nan 0.000 0.220 353 P C 1.047 178.320 177.300 -0.044 0.000 1.155 353 P CA 1.672 64.738 63.100 -0.057 0.000 0.880 353 P CB 0.185 31.874 31.700 -0.019 0.000 0.790 354 E N -0.245 119.930 120.200 -0.041 0.000 2.038 354 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 354 E C 2.247 178.824 176.600 -0.040 0.000 1.000 354 E CA 1.093 57.474 56.400 -0.032 0.000 0.803 354 E CB -1.028 28.655 29.700 -0.028 0.000 0.750 354 E HN 0.235 nan 8.360 nan 0.000 0.448 355 L N 0.555 121.744 121.223 -0.056 0.000 2.046 355 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 355 L C 2.587 179.412 176.870 -0.075 0.000 1.077 355 L CA 0.834 55.635 54.840 -0.065 0.000 0.747 355 L CB -0.463 41.548 42.059 -0.080 0.000 0.896 355 L HN 0.209 nan 8.230 nan 0.000 0.432 356 L N -0.010 121.158 121.223 -0.092 0.000 1.970 356 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 356 L C 2.211 179.053 176.870 -0.047 0.000 1.071 356 L CA 1.721 56.505 54.840 -0.093 0.000 0.751 356 L CB -0.397 41.591 42.059 -0.118 0.000 0.889 356 L HN 0.299 nan 8.230 nan 0.000 0.432 357 D N -0.097 120.286 120.400 -0.029 0.000 2.271 357 D HA -0.221 4.419 4.640 -0.000 0.000 0.207 357 D C 2.052 178.346 176.300 -0.010 0.000 0.983 357 D CA 1.128 55.124 54.000 -0.008 0.000 0.878 357 D CB 0.007 40.806 40.800 -0.002 0.000 0.920 357 D HN 0.501 nan 8.370 nan 0.000 0.479 358 E N -0.487 119.701 120.200 -0.021 0.000 2.152 358 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 358 E C 1.905 178.495 176.600 -0.016 0.000 0.983 358 E CA 0.742 57.132 56.400 -0.016 0.000 0.818 358 E CB 0.359 30.046 29.700 -0.021 0.000 0.758 358 E HN 0.279 nan 8.360 nan 0.000 0.467 359 V N -1.855 118.043 119.914 -0.027 0.000 3.578 359 V HA 0.143 4.263 4.120 -0.000 0.000 0.290 359 V C 0.638 176.725 176.094 -0.013 0.000 1.376 359 V CA -0.253 62.031 62.300 -0.027 0.000 1.083 359 V CB 0.287 32.076 31.823 -0.057 0.000 0.911 359 V HN -0.101 nan 8.190 nan 0.000 0.433 360 T N 2.529 117.081 114.554 -0.003 0.000 2.794 360 T HA 0.324 4.673 4.350 -0.000 0.000 0.296 360 T C 1.425 176.138 174.700 0.021 0.000 0.949 360 T CA 0.786 62.895 62.100 0.015 0.000 1.101 360 T CB 1.399 70.283 68.868 0.027 0.000 0.905 360 T HN 0.714 nan 8.240 nan 0.000 0.516 361 T N 0.263 114.833 114.554 0.027 0.000 3.033 361 T HA 0.526 4.876 4.350 -0.000 0.000 0.248 361 T C 0.704 175.423 174.700 0.032 0.000 1.040 361 T CA 0.185 62.302 62.100 0.028 0.000 1.133 361 T CB 0.263 69.149 68.868 0.030 0.000 0.895 361 T HN 0.709 nan 8.240 nan 0.000 0.465 362 A N -0.046 122.796 122.820 0.038 0.000 2.566 362 A HA 0.828 5.147 4.320 -0.000 0.000 0.292 362 A C -1.185 176.428 177.584 0.049 0.000 1.112 362 A CA -0.948 51.113 52.037 0.040 0.000 0.707 362 A CB 1.745 20.767 19.000 0.037 0.000 1.302 362 A HN 0.255 nan 8.150 nan 0.000 0.409 363 K N -0.510 119.920 120.400 0.050 0.000 2.551 363 K HA 0.689 5.009 4.320 -0.000 0.000 0.269 363 K C -2.261 174.376 176.600 0.062 0.000 0.949 363 K CA -0.551 55.775 56.287 0.064 0.000 0.849 363 K CB 2.731 35.274 32.500 0.072 0.000 1.411 363 K HN 0.904 nan 8.250 nan 0.000 0.432 364 V N 2.438 122.397 119.914 0.077 0.000 3.036 364 V HA 0.418 4.538 4.120 -0.000 0.000 0.288 364 V C -1.969 174.202 176.094 0.129 0.000 1.407 364 V CA -0.663 61.684 62.300 0.077 0.000 0.983 364 V CB 1.787 33.618 31.823 0.013 0.000 1.128 364 V HN 0.833 nan 8.190 nan 0.000 0.439 365 W N 7.629 128.897 121.300 -0.052 0.000 2.433 365 W HA 0.725 5.385 4.660 -0.000 0.000 0.315 365 W C -1.761 174.712 176.519 -0.076 0.000 1.087 365 W CA -0.837 56.471 57.345 -0.061 0.000 1.205 365 W CB 1.728 31.159 29.460 -0.049 0.000 1.288 365 W HN 0.525 nan 8.180 nan 0.000 0.504 366 I N 6.822 126.806 120.570 -0.977 0.000 2.437 366 I HA 0.510 4.679 4.170 -0.000 0.000 0.279 366 I C 0.418 175.782 176.117 -1.255 0.000 1.028 366 I CA -0.036 60.758 61.300 -0.843 0.000 1.142 366 I CB 1.117 38.805 38.000 -0.520 0.000 1.266 366 I HN 0.462 nan 8.210 nan 0.000 0.461 367 G N 0.000 108.242 108.800 -0.929 0.000 5.446 367 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 367 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 367 G CA 0.000 44.842 45.100 -0.429 0.000 0.502 367 G HN 0.000 nan 8.290 nan 0.000 0.925