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 1sja_1_D 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 TAKVWIGS 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 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.314 55.300 0.023 0.000 0.988 1 M CB 0.000 32.611 32.600 0.019 0.000 1.302 2 K N 1.787 122.191 120.400 0.007 0.000 2.601 2 K HA 0.630 4.950 4.320 -0.000 0.000 0.249 2 K C -2.226 174.371 176.600 -0.006 0.000 0.966 2 K CA -0.431 55.856 56.287 0.001 0.000 0.827 2 K CB 1.659 34.161 32.500 0.004 0.000 1.178 2 K HN 0.719 nan 8.250 nan 0.000 0.437 3 L N 3.542 124.754 121.223 -0.018 0.000 2.418 3 L HA 0.303 4.643 4.340 -0.000 0.000 0.274 3 L C 0.363 177.208 176.870 -0.041 0.000 1.135 3 L CA 1.002 55.819 54.840 -0.039 0.000 0.870 3 L CB 0.753 42.777 42.059 -0.059 0.000 1.154 3 L HN 0.776 nan 8.230 nan 0.000 0.462 4 S N 2.806 118.489 115.700 -0.029 0.000 2.470 4 S HA 0.554 5.024 4.470 -0.000 0.000 0.222 4 S C 0.550 175.120 174.600 -0.049 0.000 1.024 4 S CA 0.341 58.549 58.200 0.013 0.000 0.931 4 S CB 0.159 63.411 63.200 0.087 0.000 0.791 4 S HN 1.024 nan 8.310 nan 0.000 0.513 5 G N 0.167 108.849 108.800 -0.197 0.000 2.328 5 G HA2 0.404 4.364 3.960 -0.000 0.000 0.299 5 G HA3 0.404 4.364 3.960 -0.000 0.000 0.299 5 G C -2.063 172.445 174.900 -0.652 0.000 1.435 5 G CA -0.753 43.989 45.100 -0.596 0.000 0.865 5 G HN 0.102 nan 8.290 nan 0.000 0.601 6 V N 0.409 119.820 119.914 -0.837 0.000 2.531 6 V HA 0.618 4.738 4.120 -0.000 0.000 0.301 6 V C -0.095 175.705 176.094 -0.489 0.000 1.034 6 V CA -0.742 61.244 62.300 -0.524 0.000 0.865 6 V CB 1.695 33.316 31.823 -0.337 0.000 0.995 6 V HN 0.888 nan 8.190 nan 0.000 0.424 7 E N 4.688 124.767 120.200 -0.203 0.000 2.146 7 E HA 0.491 4.841 4.350 -0.000 0.000 0.282 7 E C -1.413 175.171 176.600 -0.027 0.000 0.989 7 E CA -0.597 55.820 56.400 0.029 0.000 0.799 7 E CB 1.460 31.313 29.700 0.256 0.000 1.088 7 E HN 0.646 nan 8.360 nan 0.000 0.397 8 L N 5.495 126.710 121.223 -0.013 0.000 2.264 8 L HA 0.413 4.753 4.340 -0.000 0.000 0.289 8 L C 0.311 177.208 176.870 0.045 0.000 1.044 8 L CA -0.347 54.490 54.840 -0.006 0.000 0.807 8 L CB 0.787 42.821 42.059 -0.042 0.000 1.192 8 L HN 0.501 nan 8.230 nan 0.000 0.425 9 R N 3.753 124.299 120.500 0.075 0.000 2.787 9 R HA 0.634 4.974 4.340 -0.000 0.000 0.271 9 R C -0.884 175.458 176.300 0.070 0.000 0.993 9 R CA -1.030 55.125 56.100 0.091 0.000 0.993 9 R CB 2.139 32.525 30.300 0.144 0.000 1.155 9 R HN 0.553 nan 8.270 nan 0.000 0.486 10 R N 0.570 121.105 120.500 0.058 0.000 2.562 10 R HA 0.547 4.887 4.340 -0.000 0.000 0.298 10 R C -0.822 175.501 176.300 0.038 0.000 0.961 10 R CA -0.706 55.422 56.100 0.046 0.000 0.881 10 R CB 2.061 32.386 30.300 0.041 0.000 1.159 10 R HN 0.220 nan 8.270 nan 0.000 0.450 11 V N 1.670 121.600 119.914 0.027 0.000 3.001 11 V HA 0.411 4.531 4.120 -0.000 0.000 0.314 11 V C -0.784 175.308 176.094 -0.004 0.000 1.099 11 V CA -0.826 61.476 62.300 0.003 0.000 0.989 11 V CB 2.189 34.002 31.823 -0.018 0.000 1.040 11 V HN 0.692 nan 8.190 nan 0.000 0.434 12 Q N 2.723 122.511 119.800 -0.021 0.000 2.483 12 Q HA 0.563 4.903 4.340 -0.000 0.000 0.245 12 Q C -1.614 174.367 176.000 -0.031 0.000 0.902 12 Q CA -0.225 55.573 55.803 -0.008 0.000 0.767 12 Q CB 1.504 30.249 28.738 0.012 0.000 1.341 12 Q HN 0.742 nan 8.270 nan 0.000 0.453 13 M N 4.480 124.050 119.600 -0.050 0.000 2.294 13 M HA 0.509 4.989 4.480 -0.000 0.000 0.335 13 M C -2.451 173.898 176.300 0.080 0.000 1.079 13 M CA -1.975 53.277 55.300 -0.081 0.000 0.982 13 M CB 1.882 34.236 32.600 -0.411 0.000 1.651 13 M HN 0.284 nan 8.290 nan 0.000 0.437 14 P HA 0.310 nan 4.420 nan 0.000 0.287 14 P C -0.781 176.664 177.300 0.242 0.000 1.294 14 P CA -0.308 62.880 63.100 0.147 0.000 0.776 14 P CB 0.421 32.180 31.700 0.099 0.000 0.889 15 L N 3.437 124.801 121.223 0.234 0.000 2.456 15 L HA 0.037 4.377 4.340 -0.000 0.000 0.272 15 L C 2.079 179.064 176.870 0.192 0.000 1.189 15 L CA -0.395 54.595 54.840 0.250 0.000 0.846 15 L CB 0.312 42.506 42.059 0.224 0.000 1.111 15 L HN 0.200 nan 8.230 nan 0.000 0.475 16 V N 2.300 122.322 119.914 0.179 0.000 2.255 16 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 16 V C 0.916 177.066 176.094 0.094 0.000 1.051 16 V CA 2.113 64.482 62.300 0.116 0.000 1.018 16 V CB -0.418 31.449 31.823 0.072 0.000 0.641 16 V HN 0.899 nan 8.190 nan 0.000 0.445 17 A N -0.820 122.064 122.820 0.107 0.000 2.427 17 A HA 0.708 5.028 4.320 -0.000 0.000 0.298 17 A C -2.916 174.766 177.584 0.163 0.000 1.036 17 A CA -1.439 50.660 52.037 0.104 0.000 0.701 17 A CB 1.035 20.077 19.000 0.069 0.000 1.250 17 A HN 0.195 nan 8.150 nan 0.000 0.412 18 P HA 0.065 nan 4.420 nan 0.000 0.261 18 P C -0.968 176.464 177.300 0.219 0.000 1.165 18 P CA 0.702 63.894 63.100 0.153 0.000 0.759 18 P CB -0.047 31.698 31.700 0.076 0.000 0.772 19 F N 4.305 124.294 119.950 0.065 0.000 2.361 19 F HA 0.380 4.907 4.527 -0.000 0.000 0.364 19 F C 0.572 176.348 175.800 -0.040 0.000 1.117 19 F CA -1.009 57.027 58.000 0.060 0.000 1.071 19 F CB 0.876 39.985 39.000 0.182 0.000 1.188 19 F HN 0.116 nan 8.300 nan 0.000 0.464 20 R N 4.897 125.091 120.500 -0.510 0.000 2.229 20 R HA 0.512 4.852 4.340 -0.000 0.000 0.332 20 R C -0.867 175.008 176.300 -0.708 0.000 0.989 20 R CA -0.153 55.632 56.100 -0.524 0.000 0.842 20 R CB 0.938 31.022 30.300 -0.360 0.000 1.119 20 R HN 0.735 nan 8.270 nan 0.000 0.456 21 T N 0.983 115.111 114.554 -0.710 0.000 2.922 21 T HA 0.095 4.445 4.350 -0.000 0.000 0.281 21 T C 1.259 175.682 174.700 -0.462 0.000 1.005 21 T CA -0.471 61.211 62.100 -0.698 0.000 0.982 21 T CB 1.577 69.731 68.868 -1.191 0.000 1.158 21 T HN 0.677 nan 8.240 nan 0.000 0.566 22 S N 0.259 115.790 115.700 -0.281 0.000 2.595 22 S HA -0.060 4.410 4.470 -0.000 0.000 0.235 22 S C 1.336 175.921 174.600 -0.025 0.000 0.974 22 S CA 0.558 58.696 58.200 -0.103 0.000 0.942 22 S CB -0.829 62.377 63.200 0.009 0.000 0.766 22 S HN 0.716 nan 8.310 nan 0.000 0.536 23 F N -0.134 119.803 119.950 -0.021 0.000 2.720 23 F HA 0.705 5.232 4.527 -0.000 0.000 0.301 23 F C 0.721 176.509 175.800 -0.020 0.000 1.103 23 F CA -0.386 57.609 58.000 -0.007 0.000 1.291 23 F CB -0.100 38.920 39.000 0.034 0.000 1.086 23 F HN 0.340 nan 8.300 nan 0.000 0.592 24 G N 0.034 108.739 108.800 -0.157 0.000 2.345 24 G HA2 0.282 4.242 3.960 -0.000 0.000 0.310 24 G HA3 0.282 4.242 3.960 -0.000 0.000 0.310 24 G C -1.184 173.615 174.900 -0.168 0.000 1.476 24 G CA -0.625 44.428 45.100 -0.078 0.000 0.978 24 G HN 0.140 nan 8.290 nan 0.000 0.656 25 T N 0.524 115.020 114.554 -0.097 0.000 2.918 25 T HA 0.504 4.854 4.350 -0.000 0.000 0.302 25 T C 0.247 174.946 174.700 -0.002 0.000 1.045 25 T CA 0.313 62.364 62.100 -0.082 0.000 1.114 25 T CB 1.379 70.208 68.868 -0.065 0.000 0.965 25 T HN 0.617 nan 8.240 nan 0.000 0.540 26 Q N 0.691 120.515 119.800 0.040 0.000 2.321 26 Q HA 0.450 4.790 4.340 -0.000 0.000 0.270 26 Q C -0.061 176.015 176.000 0.127 0.000 1.032 26 Q CA -0.461 55.410 55.803 0.112 0.000 0.784 26 Q CB 1.314 30.162 28.738 0.184 0.000 1.264 26 Q HN 0.691 nan 8.270 nan 0.000 0.448 27 S N 1.307 117.071 115.700 0.107 0.000 2.564 27 S HA 0.233 4.703 4.470 -0.000 0.000 0.231 27 S C -0.120 174.550 174.600 0.116 0.000 1.067 27 S CA 0.012 58.274 58.200 0.103 0.000 0.908 27 S CB 0.967 64.212 63.200 0.074 0.000 0.809 27 S HN 0.465 nan 8.310 nan 0.000 0.491 28 V N 1.599 121.580 119.914 0.112 0.000 2.925 28 V HA 0.572 4.692 4.120 -0.000 0.000 0.311 28 V C -0.631 175.532 176.094 0.115 0.000 1.104 28 V CA -1.023 61.346 62.300 0.114 0.000 0.954 28 V CB 2.131 34.005 31.823 0.085 0.000 1.022 28 V HN 0.050 nan 8.190 nan 0.000 0.427 29 R N 1.969 122.548 120.500 0.130 0.000 2.338 29 R HA 0.451 4.791 4.340 -0.000 0.000 0.317 29 R C -0.779 175.562 176.300 0.068 0.000 0.968 29 R CA -0.348 55.818 56.100 0.109 0.000 0.849 29 R CB 1.600 31.997 30.300 0.163 0.000 1.128 29 R HN 0.930 nan 8.270 nan 0.000 0.448 30 E N 5.646 125.884 120.200 0.063 0.000 2.102 30 E HA 0.274 4.624 4.350 -0.000 0.000 0.263 30 E C -0.655 175.973 176.600 0.047 0.000 0.894 30 E CA -0.449 55.982 56.400 0.051 0.000 0.746 30 E CB 0.720 30.459 29.700 0.064 0.000 1.129 30 E HN 0.408 nan 8.360 nan 0.000 0.416 31 L N 1.948 123.190 121.223 0.032 0.000 2.298 31 L HA 0.610 4.950 4.340 -0.000 0.000 0.268 31 L C -0.431 176.464 176.870 0.041 0.000 1.010 31 L CA -1.155 53.706 54.840 0.035 0.000 0.812 31 L CB 0.992 43.065 42.059 0.024 0.000 1.331 31 L HN 0.315 nan 8.230 nan 0.000 0.450 32 L N 2.286 123.538 121.223 0.048 0.000 2.343 32 L HA 0.557 4.897 4.340 -0.000 0.000 0.278 32 L C -0.851 176.066 176.870 0.080 0.000 0.996 32 L CA -0.267 54.605 54.840 0.054 0.000 0.831 32 L CB 1.754 43.837 42.059 0.040 0.000 1.232 32 L HN 0.528 nan 8.230 nan 0.000 0.413 33 L N 4.550 125.839 121.223 0.110 0.000 2.334 33 L HA 0.655 4.995 4.340 -0.000 0.000 0.270 33 L C -0.668 176.295 176.870 0.154 0.000 1.018 33 L CA -0.858 54.095 54.840 0.189 0.000 0.811 33 L CB 2.113 44.350 42.059 0.297 0.000 1.271 33 L HN 0.428 nan 8.230 nan 0.000 0.443 34 L N 1.611 122.925 121.223 0.151 0.000 2.431 34 L HA 0.570 4.910 4.340 -0.000 0.000 0.266 34 L C -0.614 176.091 176.870 -0.276 0.000 0.978 34 L CA -0.594 54.227 54.840 -0.033 0.000 0.822 34 L CB 2.324 44.359 42.059 -0.040 0.000 1.310 34 L HN 0.533 nan 8.230 nan 0.000 0.409 35 R N 2.318 122.556 120.500 -0.436 0.000 2.312 35 R HA 0.654 4.994 4.340 -0.000 0.000 0.310 35 R C -0.441 175.624 176.300 -0.392 0.000 1.064 35 R CA -0.343 55.318 56.100 -0.731 0.000 0.983 35 R CB 1.375 31.180 30.300 -0.825 0.000 1.139 35 R HN 0.816 nan 8.270 nan 0.000 0.536 36 A N 3.392 126.007 122.820 -0.341 0.000 2.450 36 A HA 0.309 4.629 4.320 -0.000 0.000 0.255 36 A C -0.357 177.132 177.584 -0.158 0.000 1.096 36 A CA -0.249 51.666 52.037 -0.204 0.000 0.778 36 A CB 0.932 19.856 19.000 -0.126 0.000 1.031 36 A HN 0.481 nan 8.150 nan 0.000 0.494 37 V N 4.127 123.987 119.914 -0.092 0.000 2.326 37 V HA 0.410 4.530 4.120 -0.000 0.000 0.281 37 V C 0.526 176.631 176.094 0.019 0.000 1.015 37 V CA 0.068 62.381 62.300 0.021 0.000 0.823 37 V CB 1.204 33.175 31.823 0.246 0.000 1.009 37 V HN 1.134 nan 8.190 nan 0.000 0.436 38 T N 3.233 117.793 114.554 0.010 0.000 2.936 38 T HA 0.527 4.877 4.350 -0.000 0.000 0.282 38 T C -1.718 172.996 174.700 0.023 0.000 1.003 38 T CA -1.969 60.138 62.100 0.012 0.000 1.005 38 T CB 1.940 70.810 68.868 0.002 0.000 1.097 38 T HN 0.314 nan 8.240 nan 0.000 0.532 39 P HA -0.053 nan 4.420 nan 0.000 0.214 39 P C 1.695 179.000 177.300 0.007 0.000 1.163 39 P CA 1.637 64.746 63.100 0.015 0.000 0.883 39 P CB -0.532 31.174 31.700 0.010 0.000 0.788 40 A N -0.479 122.341 122.820 -0.000 0.000 1.834 40 A HA 0.204 4.524 4.320 -0.000 0.000 0.216 40 A C 1.471 179.055 177.584 0.000 0.000 1.203 40 A CA 2.037 54.069 52.037 -0.007 0.000 0.621 40 A CB -1.347 17.641 19.000 -0.021 0.000 0.841 40 A HN 0.393 nan 8.150 nan 0.000 0.446 41 G N -2.180 106.623 108.800 0.006 0.000 2.782 41 G HA2 0.543 4.503 3.960 -0.000 0.000 0.304 41 G HA3 0.543 4.503 3.960 -0.000 0.000 0.304 41 G C -1.432 173.473 174.900 0.008 0.000 1.315 41 G CA -0.124 44.984 45.100 0.014 0.000 0.791 41 G HN 0.511 nan 8.290 nan 0.000 0.519 42 E N -1.343 118.861 120.200 0.007 0.000 2.264 42 E HA 0.688 5.038 4.350 -0.000 0.000 0.260 42 E C -0.181 176.388 176.600 -0.052 0.000 0.961 42 E CA -1.073 55.297 56.400 -0.050 0.000 0.834 42 E CB 2.175 31.812 29.700 -0.105 0.000 1.230 42 E HN 0.762 nan 8.360 nan 0.000 0.412 43 G N 0.067 108.776 108.800 -0.152 0.000 2.563 43 G HA2 0.501 4.461 3.960 -0.000 0.000 0.302 43 G HA3 0.501 4.461 3.960 -0.000 0.000 0.302 43 G C -1.832 172.895 174.900 -0.287 0.000 1.301 43 G CA -0.862 44.187 45.100 -0.086 0.000 0.965 43 G HN 0.396 nan 8.290 nan 0.000 0.480 44 W N -0.336 120.979 121.300 0.026 0.000 2.578 44 W HA 0.705 5.365 4.660 -0.000 0.000 0.353 44 W C 0.418 176.956 176.519 0.031 0.000 1.088 44 W CA -0.213 57.140 57.345 0.014 0.000 1.235 44 W CB 2.781 32.232 29.460 -0.015 0.000 1.362 44 W HN 0.809 nan 8.180 nan 0.000 0.592 45 G N 0.854 109.837 108.800 0.305 0.000 2.733 45 G HA2 0.538 4.498 3.960 -0.000 0.000 0.297 45 G HA3 0.538 4.498 3.960 -0.000 0.000 0.297 45 G C -2.137 172.895 174.900 0.220 0.000 1.422 45 G CA -0.728 44.500 45.100 0.214 0.000 0.942 45 G HN 0.392 nan 8.290 nan 0.000 0.510 46 E N 0.274 120.583 120.200 0.183 0.000 2.274 46 E HA 0.425 4.775 4.350 -0.000 0.000 0.269 46 E C -1.137 175.534 176.600 0.117 0.000 0.891 46 E CA -0.732 55.754 56.400 0.144 0.000 0.784 46 E CB 1.917 31.691 29.700 0.122 0.000 1.225 46 E HN 0.587 nan 8.360 nan 0.000 0.412 47 C N 4.990 124.342 119.300 0.087 0.000 2.435 47 C HA 0.335 4.795 4.460 -0.000 0.000 0.375 47 C C 1.613 176.629 174.990 0.044 0.000 1.281 47 C CA -0.307 58.750 59.018 0.064 0.000 1.963 47 C CB -0.029 27.742 27.740 0.052 0.000 2.490 47 C HN 0.711 nan 8.230 nan 0.000 0.557 48 V N 3.654 123.584 119.914 0.027 0.000 3.573 48 V HA 0.119 4.239 4.120 -0.000 0.000 0.270 48 V C 1.202 177.291 176.094 -0.008 0.000 1.221 48 V CA 0.848 63.144 62.300 -0.007 0.000 1.163 48 V CB -2.087 29.709 31.823 -0.046 0.000 0.847 48 V HN 0.988 nan 8.190 nan 0.000 0.468 49 T N -1.129 113.440 114.554 0.025 0.000 2.900 49 T HA 0.458 4.808 4.350 -0.000 0.000 0.307 49 T C -0.121 174.611 174.700 0.053 0.000 1.065 49 T CA -0.145 61.983 62.100 0.046 0.000 1.105 49 T CB 1.178 70.082 68.868 0.060 0.000 0.979 49 T HN 0.312 nan 8.240 nan 0.000 0.544 50 M N 1.028 120.675 119.600 0.077 0.000 2.823 50 M HA 0.545 5.025 4.480 -0.000 0.000 0.282 50 M C 1.975 178.359 176.300 0.139 0.000 1.177 50 M CA -0.954 54.400 55.300 0.091 0.000 0.871 50 M CB 1.173 33.823 32.600 0.083 0.000 1.595 50 M HN 0.858 nan 8.290 nan 0.000 0.524 51 A N 0.351 123.247 122.820 0.127 0.000 1.859 51 A HA 0.050 4.370 4.320 -0.000 0.000 0.217 51 A C 0.996 178.685 177.584 0.174 0.000 1.198 51 A CA 2.044 54.166 52.037 0.142 0.000 0.629 51 A CB -1.134 17.928 19.000 0.105 0.000 0.830 51 A HN 0.845 nan 8.150 nan 0.000 0.446 52 G N -2.154 106.697 108.800 0.084 0.000 2.537 52 G HA2 0.518 4.478 3.960 -0.000 0.000 0.323 52 G HA3 0.518 4.478 3.960 -0.000 0.000 0.323 52 G C -2.906 171.966 174.900 -0.047 0.000 1.207 52 G CA -1.291 43.774 45.100 -0.059 0.000 0.976 52 G HN 0.085 nan 8.290 nan 0.000 0.487 53 P HA 0.216 nan 4.420 nan 0.000 0.225 53 P C 0.543 177.774 177.300 -0.115 0.000 1.813 53 P CA -0.044 62.992 63.100 -0.106 0.000 1.013 53 P CB 0.168 31.753 31.700 -0.192 0.000 1.961 54 L N -0.215 120.919 121.223 -0.147 0.000 2.362 54 L HA 0.058 4.398 4.340 -0.000 0.000 0.204 54 L C 2.246 178.840 176.870 -0.459 0.000 1.060 54 L CA 0.541 55.224 54.840 -0.261 0.000 0.827 54 L CB -0.429 41.503 42.059 -0.213 0.000 1.027 54 L HN 0.095 nan 8.230 nan 0.000 0.474 55 Y N 0.872 120.752 120.300 -0.700 0.000 2.269 55 Y HA 0.039 4.589 4.550 -0.000 0.000 0.294 55 Y C 1.317 177.067 175.900 -0.249 0.000 1.120 55 Y CA 0.534 58.279 58.100 -0.592 0.000 1.159 55 Y CB 0.414 38.561 38.460 -0.521 0.000 1.024 55 Y HN 0.151 nan 8.280 nan 0.000 0.532 56 S N -1.222 114.419 115.700 -0.099 0.000 2.685 56 S HA 0.269 4.739 4.470 -0.000 0.000 0.282 56 S C 0.799 175.377 174.600 -0.037 0.000 1.159 56 S CA -0.249 57.877 58.200 -0.122 0.000 0.833 56 S CB 0.832 63.976 63.200 -0.093 0.000 1.151 56 S HN 0.418 nan 8.310 nan 0.000 0.485 57 S N -0.236 115.443 115.700 -0.035 0.000 2.465 57 S HA -0.035 4.435 4.470 -0.000 0.000 0.241 57 S C 0.332 175.008 174.600 0.126 0.000 1.000 57 S CA 0.652 58.861 58.200 0.016 0.000 0.964 57 S CB -0.807 62.384 63.200 -0.015 0.000 0.763 57 S HN 0.748 nan 8.310 nan 0.000 0.512 58 E N 1.098 121.361 120.200 0.105 0.000 2.313 58 E HA 0.444 4.794 4.350 -0.000 0.000 0.276 58 E C -0.844 175.916 176.600 0.266 0.000 1.031 58 E CA -0.614 55.876 56.400 0.150 0.000 0.857 58 E CB 0.625 30.371 29.700 0.077 0.000 1.040 58 E HN 0.667 nan 8.360 nan 0.000 0.408 59 Y N 0.744 121.072 120.300 0.046 0.000 2.571 59 Y HA 0.364 4.914 4.550 -0.000 0.000 0.341 59 Y C 0.547 176.480 175.900 0.055 0.000 1.076 59 Y CA -1.384 56.740 58.100 0.040 0.000 1.029 59 Y CB 0.270 38.745 38.460 0.025 0.000 1.308 59 Y HN 0.272 nan 8.280 nan 0.000 0.461 60 N N 1.212 119.963 118.700 0.085 0.000 2.106 60 N HA -0.256 4.484 4.740 -0.000 0.000 0.200 60 N C 0.879 176.329 175.510 -0.100 0.000 1.014 60 N CA 2.444 55.501 53.050 0.012 0.000 0.891 60 N CB -0.241 38.293 38.487 0.078 0.000 1.069 60 N HN 0.867 nan 8.380 nan 0.000 0.490 61 D N -0.482 119.838 120.400 -0.133 0.000 2.178 61 D HA -0.032 4.608 4.640 -0.000 0.000 0.202 61 D C 1.910 178.038 176.300 -0.287 0.000 0.974 61 D CA 1.104 55.019 54.000 -0.141 0.000 0.841 61 D CB -0.669 40.148 40.800 0.028 0.000 0.953 61 D HN 0.405 nan 8.370 nan 0.000 0.478 62 G N 0.856 109.190 108.800 -0.776 0.000 2.408 62 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 62 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 62 G C 1.720 176.509 174.900 -0.184 0.000 1.150 62 G CA 1.115 45.897 45.100 -0.530 0.000 0.776 62 G HN 0.379 nan 8.290 nan 0.000 0.542 63 A N 1.023 123.734 122.820 -0.182 0.000 1.851 63 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 63 A C 2.081 179.634 177.584 -0.051 0.000 1.195 63 A CA 2.210 54.209 52.037 -0.064 0.000 0.622 63 A CB -0.741 18.231 19.000 -0.047 0.000 0.831 63 A HN 0.464 nan 8.150 nan 0.000 0.444 64 E N -1.054 119.122 120.200 -0.040 0.000 2.045 64 E HA -0.363 3.987 4.350 -0.000 0.000 0.212 64 E C 1.833 178.413 176.600 -0.034 0.000 1.039 64 E CA 2.102 58.484 56.400 -0.030 0.000 0.860 64 E CB -0.418 29.285 29.700 0.006 0.000 0.776 64 E HN 0.740 nan 8.360 nan 0.000 0.467 65 H N -0.449 118.605 119.070 -0.027 0.000 2.268 65 H HA -0.210 4.346 4.556 -0.000 0.000 0.288 65 H C 2.120 177.510 175.328 0.104 0.000 1.088 65 H CA 2.592 58.700 56.048 0.101 0.000 1.182 65 H CB -0.766 29.021 29.762 0.043 0.000 1.348 65 H HN 0.160 nan 8.280 nan 0.000 0.499 66 V N 0.153 120.101 119.914 0.055 0.000 2.332 66 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 66 V C 2.599 178.612 176.094 -0.135 0.000 1.055 66 V CA 1.956 64.213 62.300 -0.071 0.000 1.038 66 V CB -0.607 30.937 31.823 -0.464 0.000 0.651 66 V HN 0.419 nan 8.190 nan 0.000 0.450 67 L N -0.805 120.328 121.223 -0.149 0.000 1.944 67 L HA -0.283 4.057 4.340 -0.000 0.000 0.218 67 L C 2.723 179.450 176.870 -0.239 0.000 1.075 67 L CA 2.436 57.179 54.840 -0.162 0.000 0.767 67 L CB -0.656 41.326 42.059 -0.128 0.000 0.890 67 L HN 0.210 nan 8.230 nan 0.000 0.434 68 R N -1.242 119.064 120.500 -0.325 0.000 2.113 68 R HA -0.209 4.131 4.340 -0.000 0.000 0.244 68 R C 2.235 178.107 176.300 -0.712 0.000 1.142 68 R CA 1.787 57.563 56.100 -0.539 0.000 0.953 68 R CB -0.222 29.624 30.300 -0.756 0.000 0.860 68 R HN 0.495 nan 8.270 nan 0.000 0.438 69 H N -2.888 115.926 119.070 -0.427 0.000 2.595 69 H HA 0.058 4.614 4.556 -0.000 0.000 0.265 69 H C 0.772 175.636 175.328 -0.774 0.000 0.953 69 H CA 0.893 56.575 56.048 -0.610 0.000 1.197 69 H CB 0.541 29.818 29.762 -0.807 0.000 1.438 69 H HN 0.295 nan 8.280 nan 0.000 0.531 70 Y N -0.509 119.599 120.300 -0.320 0.000 2.769 70 Y HA 0.095 4.645 4.550 -0.000 0.000 0.266 70 Y C 2.363 177.979 175.900 -0.473 0.000 1.091 70 Y CA -0.114 57.668 58.100 -0.530 0.000 1.272 70 Y CB 0.329 38.232 38.460 -0.927 0.000 1.469 70 Y HN -0.129 nan 8.280 nan 0.000 0.475 71 L N 0.085 121.183 121.223 -0.209 0.000 1.950 71 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 71 L C 2.058 178.889 176.870 -0.065 0.000 1.079 71 L CA 1.561 56.336 54.840 -0.108 0.000 0.754 71 L CB -0.982 41.024 42.059 -0.088 0.000 0.889 71 L HN 0.192 nan 8.230 nan 0.000 0.433 72 I N 0.180 120.674 120.570 -0.127 0.000 2.113 72 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 72 I C -0.260 175.781 176.117 -0.127 0.000 1.057 72 I CA 1.880 63.091 61.300 -0.148 0.000 1.314 72 I CB -1.795 36.074 38.000 -0.218 0.000 1.022 72 I HN 0.240 nan 8.210 nan 0.000 0.408 73 P HA -0.221 nan 4.420 nan 0.000 0.215 73 P C 1.565 178.849 177.300 -0.028 0.000 1.157 73 P CA 2.221 65.259 63.100 -0.103 0.000 0.874 73 P CB -0.125 31.498 31.700 -0.129 0.000 0.790 74 A N -0.409 122.435 122.820 0.041 0.000 1.903 74 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 74 A C 2.287 179.902 177.584 0.052 0.000 1.191 74 A CA 1.882 53.987 52.037 0.114 0.000 0.638 74 A CB -1.724 17.436 19.000 0.268 0.000 0.823 74 A HN 0.127 nan 8.150 nan 0.000 0.451 75 L N -0.906 120.331 121.223 0.022 0.000 2.056 75 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 75 L C 2.579 179.435 176.870 -0.024 0.000 1.078 75 L CA 0.971 55.810 54.840 -0.001 0.000 0.749 75 L CB -0.685 41.363 42.059 -0.018 0.000 0.901 75 L HN 0.375 nan 8.230 nan 0.000 0.433 76 L N 0.121 121.314 121.223 -0.050 0.000 2.042 76 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 76 L C 2.929 179.778 176.870 -0.035 0.000 1.076 76 L CA 1.259 56.062 54.840 -0.061 0.000 0.749 76 L CB -0.887 41.113 42.059 -0.097 0.000 0.893 76 L HN 0.231 nan 8.230 nan 0.000 0.432 77 A N 0.294 123.100 122.820 -0.023 0.000 1.978 77 A HA -0.002 4.318 4.320 -0.000 0.000 0.220 77 A C 1.536 179.117 177.584 -0.005 0.000 1.170 77 A CA 1.061 53.092 52.037 -0.010 0.000 0.636 77 A CB -0.743 18.258 19.000 0.002 0.000 0.810 77 A HN 0.359 nan 8.150 nan 0.000 0.448 78 A N -0.321 122.497 122.820 -0.002 0.000 2.511 78 A HA 0.345 4.665 4.320 -0.000 0.000 0.242 78 A C 0.992 178.575 177.584 -0.002 0.000 1.069 78 A CA 0.330 52.367 52.037 0.000 0.000 0.763 78 A CB 0.182 19.183 19.000 0.003 0.000 1.001 78 A HN 0.359 nan 8.150 nan 0.000 0.498 79 E N 0.912 121.112 120.200 -0.000 0.000 2.015 79 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 79 E C 0.134 176.736 176.600 0.003 0.000 0.991 79 E CA 1.754 58.154 56.400 0.001 0.000 0.802 79 E CB 0.015 29.716 29.700 0.002 0.000 0.759 79 E HN 0.823 nan 8.360 nan 0.000 0.447 80 D N -0.868 119.534 120.400 0.004 0.000 2.192 80 D HA 0.398 5.038 4.640 -0.000 0.000 0.246 80 D C -0.963 175.341 176.300 0.008 0.000 1.042 80 D CA -0.336 53.668 54.000 0.007 0.000 0.847 80 D CB 0.777 41.582 40.800 0.009 0.000 1.186 80 D HN -0.040 nan 8.370 nan 0.000 0.461 81 I N 2.791 123.368 120.570 0.011 0.000 2.478 81 I HA 0.292 4.462 4.170 -0.000 0.000 0.287 81 I C -0.683 175.446 176.117 0.019 0.000 1.042 81 I CA -0.390 60.917 61.300 0.011 0.000 1.067 81 I CB 2.197 40.200 38.000 0.005 0.000 1.233 81 I HN 0.277 nan 8.210 nan 0.000 0.431 82 T N 4.091 118.655 114.554 0.017 0.000 2.912 82 T HA 0.385 4.735 4.350 -0.000 0.000 0.299 82 T C 0.857 175.566 174.700 0.015 0.000 1.052 82 T CA -0.090 62.021 62.100 0.019 0.000 0.996 82 T CB 2.057 70.932 68.868 0.013 0.000 1.070 82 T HN 0.689 nan 8.240 nan 0.000 0.465 83 A N 2.524 125.352 122.820 0.014 0.000 1.917 83 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 83 A C 2.488 180.076 177.584 0.008 0.000 1.182 83 A CA 2.483 54.528 52.037 0.013 0.000 0.633 83 A CB -1.084 17.918 19.000 0.003 0.000 0.819 83 A HN 1.007 nan 8.150 nan 0.000 0.448 84 A N -0.308 122.511 122.820 -0.002 0.000 1.892 84 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 84 A C 2.110 179.697 177.584 0.005 0.000 1.188 84 A CA 2.077 54.113 52.037 -0.002 0.000 0.631 84 A CB -0.510 18.484 19.000 -0.009 0.000 0.822 84 A HN 0.577 nan 8.150 nan 0.000 0.447 85 K N -0.496 119.907 120.400 0.006 0.000 2.283 85 K HA 0.003 4.323 4.320 -0.000 0.000 0.202 85 K C 1.719 178.327 176.600 0.014 0.000 1.048 85 K CA 0.954 57.246 56.287 0.008 0.000 0.948 85 K CB -0.281 32.223 32.500 0.007 0.000 0.742 85 K HN 0.314 nan 8.250 nan 0.000 0.458 86 V N 1.334 121.260 119.914 0.019 0.000 2.370 86 V HA -0.320 3.800 4.120 -0.000 0.000 0.252 86 V C 2.066 178.182 176.094 0.036 0.000 1.068 86 V CA 2.181 64.499 62.300 0.029 0.000 1.061 86 V CB -0.715 31.127 31.823 0.033 0.000 0.656 86 V HN 0.415 nan 8.190 nan 0.000 0.455 87 T N 0.266 114.836 114.554 0.027 0.000 2.701 87 T HA -0.071 4.279 4.350 -0.000 0.000 0.263 87 T C 0.018 174.729 174.700 0.018 0.000 1.040 87 T CA 1.876 63.992 62.100 0.027 0.000 1.147 87 T CB -1.198 67.682 68.868 0.020 0.000 0.865 87 T HN 0.502 nan 8.240 nan 0.000 0.426 88 P HA 0.032 nan 4.420 nan 0.000 0.218 88 P C 1.513 178.807 177.300 -0.011 0.000 1.149 88 P CA 0.891 63.988 63.100 -0.006 0.000 0.817 88 P CB -0.275 31.421 31.700 -0.007 0.000 0.785 89 L N -1.335 119.893 121.223 0.007 0.000 2.093 89 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 89 L C 2.138 179.027 176.870 0.032 0.000 1.085 89 L CA 1.180 56.029 54.840 0.015 0.000 0.755 89 L CB -0.694 41.384 42.059 0.032 0.000 0.904 89 L HN -0.081 nan 8.230 nan 0.000 0.435 90 L N -1.038 120.224 121.223 0.065 0.000 2.700 90 L HA 0.216 4.556 4.340 -0.000 0.000 0.234 90 L C 2.339 179.248 176.870 0.065 0.000 1.156 90 L CA -0.178 54.752 54.840 0.151 0.000 0.946 90 L CB -0.337 41.846 42.059 0.207 0.000 1.216 90 L HN 0.079 nan 8.230 nan 0.000 0.493 91 A N 1.841 124.642 122.820 -0.032 0.000 1.865 91 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 91 A C 2.383 179.881 177.584 -0.144 0.000 1.191 91 A CA 2.015 54.018 52.037 -0.057 0.000 0.623 91 A CB -0.408 18.558 19.000 -0.056 0.000 0.826 91 A HN 0.528 nan 8.150 nan 0.000 0.444 92 K N -0.689 119.520 120.400 -0.319 0.000 2.293 92 K HA -0.169 4.151 4.320 -0.000 0.000 0.204 92 K C -0.438 175.891 176.600 -0.452 0.000 1.045 92 K CA 0.981 57.000 56.287 -0.447 0.000 0.933 92 K CB -0.599 31.542 32.500 -0.598 0.000 0.736 92 K HN 0.425 nan 8.250 nan 0.000 0.463 93 F N 2.850 122.800 119.950 -0.000 0.000 2.411 93 F HA 0.255 4.782 4.527 -0.000 0.000 0.355 93 F C 0.472 176.280 175.800 0.014 0.000 1.117 93 F CA -1.254 56.737 58.000 -0.014 0.000 1.139 93 F CB 1.010 39.995 39.000 -0.026 0.000 1.120 93 F HN -0.301 nan 8.300 nan 0.000 0.493 94 K N 3.457 123.973 120.400 0.194 0.000 2.383 94 K HA 0.366 4.686 4.320 -0.000 0.000 0.286 94 K C 0.753 177.436 176.600 0.140 0.000 1.051 94 K CA 0.410 56.767 56.287 0.116 0.000 0.974 94 K CB 0.456 32.990 32.500 0.057 0.000 0.968 94 K HN 0.945 nan 8.250 nan 0.000 0.475 95 G N 2.396 111.235 108.800 0.065 0.000 2.512 95 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.254 95 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.254 95 G C -0.364 174.550 174.900 0.023 0.000 1.199 95 G CA -0.006 45.071 45.100 -0.038 0.000 0.941 95 G HN 0.891 nan 8.290 nan 0.000 0.569 96 H N 0.047 119.121 119.070 0.008 0.000 2.692 96 H HA -0.175 4.381 4.556 -0.000 0.000 0.316 96 H C 2.049 177.383 175.328 0.011 0.000 1.176 96 H CA 1.398 57.447 56.048 0.003 0.000 1.142 96 H CB -1.006 28.748 29.762 -0.014 0.000 1.475 96 H HN 0.682 nan 8.280 nan 0.000 0.423 97 R N 0.262 120.784 120.500 0.037 0.000 2.083 97 R HA -0.121 4.219 4.340 -0.000 0.000 0.237 97 R C 2.506 178.833 176.300 0.045 0.000 1.137 97 R CA 1.952 58.074 56.100 0.038 0.000 0.951 97 R CB -0.083 30.221 30.300 0.006 0.000 0.851 97 R HN 0.358 nan 8.270 nan 0.000 0.434 98 M N 0.249 119.876 119.600 0.046 0.000 2.149 98 M HA -0.128 4.352 4.480 -0.000 0.000 0.261 98 M C 2.531 178.864 176.300 0.056 0.000 1.064 98 M CA 1.823 57.150 55.300 0.045 0.000 1.102 98 M CB -0.576 32.053 32.600 0.049 0.000 1.369 98 M HN 0.214 nan 8.290 nan 0.000 0.408 99 A N 1.427 124.293 122.820 0.075 0.000 1.855 99 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 99 A C 2.213 179.831 177.584 0.056 0.000 1.191 99 A CA 1.708 53.782 52.037 0.062 0.000 0.613 99 A CB -0.569 18.469 19.000 0.063 0.000 0.829 99 A HN 0.470 nan 8.150 nan 0.000 0.442 100 K N -0.509 119.934 120.400 0.072 0.000 2.074 100 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 100 K C 2.103 178.741 176.600 0.064 0.000 1.048 100 K CA 1.166 57.493 56.287 0.067 0.000 0.926 100 K CB -0.595 31.953 32.500 0.080 0.000 0.713 100 K HN 0.473 nan 8.250 nan 0.000 0.444 101 G N 1.662 110.497 108.800 0.058 0.000 2.514 101 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.217 101 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.217 101 G C 1.702 176.669 174.900 0.111 0.000 1.198 101 G CA 1.339 46.475 45.100 0.060 0.000 0.780 101 G HN 0.390 nan 8.290 nan 0.000 0.565 102 A N 0.165 123.044 122.820 0.098 0.000 1.917 102 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 102 A C 2.407 180.055 177.584 0.106 0.000 1.182 102 A CA 1.945 54.051 52.037 0.116 0.000 0.633 102 A CB -0.507 18.542 19.000 0.082 0.000 0.819 102 A HN 0.462 nan 8.150 nan 0.000 0.448 103 L N -0.072 121.192 121.223 0.068 0.000 1.976 103 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 103 L C 2.348 179.258 176.870 0.065 0.000 1.071 103 L CA 2.692 57.557 54.840 0.042 0.000 0.746 103 L CB -0.867 41.203 42.059 0.018 0.000 0.890 103 L HN 0.613 nan 8.230 nan 0.000 0.432 104 E N -0.652 119.597 120.200 0.082 0.000 2.065 104 E HA -0.357 3.993 4.350 -0.000 0.000 0.201 104 E C 2.289 178.972 176.600 0.138 0.000 1.016 104 E CA 2.368 58.824 56.400 0.092 0.000 0.818 104 E CB -0.367 29.391 29.700 0.098 0.000 0.749 104 E HN 0.571 nan 8.360 nan 0.000 0.453 105 M N 0.333 120.060 119.600 0.212 0.000 2.089 105 M HA -0.285 4.195 4.480 -0.000 0.000 0.257 105 M C 2.231 178.686 176.300 0.258 0.000 1.071 105 M CA 2.324 57.814 55.300 0.317 0.000 1.096 105 M CB -0.231 32.599 32.600 0.384 0.000 1.330 105 M HN 0.236 nan 8.290 nan 0.000 0.403 106 A N -0.416 122.498 122.820 0.158 0.000 1.877 106 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 106 A C 2.019 179.645 177.584 0.070 0.000 1.186 106 A CA 2.011 54.100 52.037 0.087 0.000 0.620 106 A CB -1.131 17.868 19.000 -0.001 0.000 0.822 106 A HN 0.475 nan 8.150 nan 0.000 0.443 107 V N -0.234 119.717 119.914 0.063 0.000 2.237 107 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 107 V C 2.425 178.570 176.094 0.085 0.000 1.046 107 V CA 1.879 64.209 62.300 0.049 0.000 1.007 107 V CB -1.084 30.761 31.823 0.036 0.000 0.638 107 V HN 0.532 nan 8.190 nan 0.000 0.445 108 L N 0.958 122.242 121.223 0.102 0.000 1.991 108 L HA -0.295 4.045 4.340 -0.000 0.000 0.221 108 L C 2.285 179.273 176.870 0.197 0.000 1.079 108 L CA 2.725 57.616 54.840 0.085 0.000 0.778 108 L CB -1.045 41.005 42.059 -0.014 0.000 0.893 108 L HN 0.506 nan 8.230 nan 0.000 0.437 109 D N -0.965 119.647 120.400 0.353 0.000 2.126 109 D HA -0.251 4.389 4.640 -0.000 0.000 0.190 109 D C 2.047 178.474 176.300 0.212 0.000 1.001 109 D CA 1.863 56.090 54.000 0.378 0.000 0.841 109 D CB -0.220 40.725 40.800 0.242 0.000 0.949 109 D HN 0.492 nan 8.370 nan 0.000 0.446 110 A N 0.542 123.443 122.820 0.134 0.000 1.865 110 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 110 A C 2.251 179.891 177.584 0.093 0.000 1.191 110 A CA 1.967 54.055 52.037 0.084 0.000 0.623 110 A CB -0.885 18.137 19.000 0.038 0.000 0.826 110 A HN 0.402 nan 8.150 nan 0.000 0.444 111 E N -0.346 119.917 120.200 0.106 0.000 2.049 111 E HA -0.217 4.133 4.350 -0.000 0.000 0.198 111 E C 2.051 178.774 176.600 0.205 0.000 1.007 111 E CA 1.544 58.029 56.400 0.140 0.000 0.809 111 E CB -0.245 29.522 29.700 0.112 0.000 0.749 111 E HN 0.640 nan 8.360 nan 0.000 0.450 112 L N -0.037 121.290 121.223 0.174 0.000 2.017 112 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 112 L C 2.716 179.686 176.870 0.166 0.000 1.073 112 L CA 1.099 56.048 54.840 0.182 0.000 0.745 112 L CB -0.448 41.723 42.059 0.187 0.000 0.894 112 L HN 0.092 nan 8.230 nan 0.000 0.432 113 R N -0.140 120.445 120.500 0.141 0.000 2.211 113 R HA -0.155 4.185 4.340 -0.000 0.000 0.240 113 R C 2.079 178.410 176.300 0.052 0.000 1.144 113 R CA 1.167 57.325 56.100 0.096 0.000 0.992 113 R CB -0.247 30.108 30.300 0.091 0.000 0.869 113 R HN 0.377 nan 8.270 nan 0.000 0.462 114 A N -0.803 122.037 122.820 0.032 0.000 2.147 114 A HA -0.022 4.298 4.320 -0.000 0.000 0.211 114 A C 0.994 178.446 177.584 -0.220 0.000 1.160 114 A CA 0.638 52.621 52.037 -0.089 0.000 0.781 114 A CB -0.015 18.911 19.000 -0.123 0.000 0.842 114 A HN 0.294 nan 8.150 nan 0.000 0.475 115 H N -1.549 117.540 119.070 0.032 0.000 2.586 115 H HA 0.303 4.859 4.556 -0.000 0.000 0.273 115 H C 0.096 175.441 175.328 0.028 0.000 0.997 115 H CA 0.527 56.590 56.048 0.026 0.000 1.177 115 H CB 0.363 30.138 29.762 0.021 0.000 1.471 115 H HN 0.543 nan 8.280 nan 0.000 0.538 116 E N -0.504 119.759 120.200 0.104 0.000 3.181 116 E HA -0.218 4.132 4.350 -0.000 0.000 0.293 116 E C 0.070 176.724 176.600 0.091 0.000 0.936 116 E CA 0.138 56.585 56.400 0.078 0.000 0.975 116 E CB -0.608 29.123 29.700 0.052 0.000 1.496 116 E HN 0.355 nan 8.360 nan 0.000 0.429 117 R N 0.597 121.168 120.500 0.118 0.000 2.500 117 R HA 0.450 4.790 4.340 -0.000 0.000 0.275 117 R C 0.103 176.473 176.300 0.117 0.000 1.051 117 R CA 0.362 56.523 56.100 0.102 0.000 1.088 117 R CB 0.904 31.258 30.300 0.091 0.000 1.063 117 R HN 0.153 nan 8.270 nan 0.000 0.511 118 S N 1.912 117.676 115.700 0.107 0.000 2.632 118 S HA 0.189 4.659 4.470 -0.000 0.000 0.271 118 S C 0.806 175.526 174.600 0.200 0.000 1.260 118 S CA -0.672 57.614 58.200 0.143 0.000 1.010 118 S CB 0.723 63.985 63.200 0.103 0.000 0.965 118 S HN 0.538 nan 8.310 nan 0.000 0.534 119 F N 1.541 121.477 119.950 -0.023 0.000 2.102 119 F HA 0.009 4.536 4.527 -0.000 0.000 0.298 119 F C 2.808 178.583 175.800 -0.042 0.000 1.105 119 F CA 1.268 59.235 58.000 -0.055 0.000 1.239 119 F CB -1.352 37.577 39.000 -0.118 0.000 0.991 119 F HN 0.830 nan 8.300 nan 0.000 0.474 120 A N 0.212 123.133 122.820 0.168 0.000 1.870 120 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 120 A C 2.491 180.098 177.584 0.038 0.000 1.224 120 A CA 2.838 54.920 52.037 0.075 0.000 0.650 120 A CB -1.614 17.428 19.000 0.070 0.000 0.836 120 A HN 0.401 nan 8.150 nan 0.000 0.454 121 A N -0.753 122.095 122.820 0.046 0.000 1.884 121 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 121 A C 2.009 179.595 177.584 0.003 0.000 1.197 121 A CA 2.652 54.706 52.037 0.028 0.000 0.637 121 A CB -0.720 18.303 19.000 0.038 0.000 0.827 121 A HN 0.633 nan 8.150 nan 0.000 0.450 122 E N -0.121 120.069 120.200 -0.018 0.000 2.077 122 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 122 E C 1.846 178.409 176.600 -0.062 0.000 0.989 122 E CA 1.260 57.624 56.400 -0.059 0.000 0.800 122 E CB -0.331 29.297 29.700 -0.121 0.000 0.746 122 E HN 0.615 nan 8.360 nan 0.000 0.452 123 L N -1.104 120.081 121.223 -0.064 0.000 2.291 123 L HA 0.110 4.450 4.340 -0.000 0.000 0.214 123 L C 1.051 177.905 176.870 -0.027 0.000 1.120 123 L CA 0.550 55.360 54.840 -0.050 0.000 0.799 123 L CB -0.306 41.728 42.059 -0.042 0.000 0.925 123 L HN 0.411 nan 8.230 nan 0.000 0.446 124 G N 1.027 109.821 108.800 -0.011 0.000 2.842 124 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.242 124 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.242 124 G C 0.147 175.058 174.900 0.018 0.000 1.135 124 G CA 0.114 45.220 45.100 0.009 0.000 1.048 124 G HN 0.372 nan 8.290 nan 0.000 0.530 125 S N -1.240 114.472 115.700 0.020 0.000 2.592 125 S HA 0.700 5.170 4.470 -0.000 0.000 0.271 125 S C 1.398 176.025 174.600 0.046 0.000 1.326 125 S CA 0.426 58.644 58.200 0.029 0.000 1.024 125 S CB 2.051 65.267 63.200 0.027 0.000 0.921 125 S HN 1.658 nan 8.310 nan 0.000 0.527 126 V N -0.538 119.412 119.914 0.060 0.000 3.497 126 V HA 0.438 4.558 4.120 -0.000 0.000 0.272 126 V C 0.649 176.783 176.094 0.066 0.000 1.474 126 V CA -0.405 61.934 62.300 0.066 0.000 1.025 126 V CB -0.850 31.023 31.823 0.082 0.000 0.820 126 V HN 0.748 nan 8.190 nan 0.000 0.437 127 R N 0.765 121.307 120.500 0.069 0.000 2.705 127 R HA 0.593 4.933 4.340 -0.000 0.000 0.246 127 R C -0.183 176.156 176.300 0.064 0.000 1.142 127 R CA -0.270 55.874 56.100 0.074 0.000 1.114 127 R CB 0.736 31.089 30.300 0.089 0.000 1.256 127 R HN 0.083 nan 8.270 nan 0.000 0.536 128 D N -0.905 119.539 120.400 0.073 0.000 2.498 128 D HA 0.071 4.711 4.640 -0.000 0.000 0.223 128 D C -0.404 175.949 176.300 0.088 0.000 1.125 128 D CA 0.429 54.469 54.000 0.067 0.000 0.835 128 D CB 0.783 41.615 40.800 0.053 0.000 1.086 128 D HN 0.434 nan 8.370 nan 0.000 0.510 129 S N 0.016 115.790 115.700 0.123 0.000 2.556 129 S HA 0.668 5.137 4.470 -0.000 0.000 0.271 129 S C -0.734 173.988 174.600 0.203 0.000 1.135 129 S CA -0.805 57.504 58.200 0.182 0.000 0.858 129 S CB 2.355 65.699 63.200 0.240 0.000 1.114 129 S HN -0.000 nan 8.310 nan 0.000 0.468 130 V N -1.358 118.620 119.914 0.107 0.000 2.823 130 V HA 0.889 5.009 4.120 -0.000 0.000 0.312 130 V C -3.111 172.744 176.094 -0.398 0.000 1.072 130 V CA -2.831 59.422 62.300 -0.078 0.000 0.937 130 V CB 1.855 33.642 31.823 -0.061 0.000 1.013 130 V HN 0.804 nan 8.190 nan 0.000 0.430 131 P HA 0.362 nan 4.420 nan 0.000 0.281 131 P C -0.545 176.621 177.300 -0.224 0.000 1.286 131 P CA -0.023 62.680 63.100 -0.662 0.000 0.772 131 P CB 0.559 32.032 31.700 -0.380 0.000 0.862 132 C N 3.647 122.875 119.300 -0.119 0.000 2.376 132 C HA 0.854 5.314 4.460 -0.000 0.000 0.335 132 C C 1.111 176.173 174.990 0.121 0.000 1.229 132 C CA 0.052 59.091 59.018 0.035 0.000 1.867 132 C CB 1.358 29.171 27.740 0.121 0.000 2.319 132 C HN 0.718 nan 8.230 nan 0.000 0.515 133 G N 0.688 109.510 108.800 0.036 0.000 3.140 133 G HA2 0.739 4.699 3.960 -0.000 0.000 0.271 133 G HA3 0.739 4.699 3.960 -0.000 0.000 0.271 133 G C -1.490 173.246 174.900 -0.273 0.000 1.370 133 G CA -0.323 44.750 45.100 -0.045 0.000 1.014 133 G HN 0.742 nan 8.290 nan 0.000 0.541 134 V N -0.963 118.707 119.914 -0.407 0.000 3.007 134 V HA 0.735 4.855 4.120 -0.000 0.000 0.311 134 V C -0.492 175.367 176.094 -0.392 0.000 1.120 134 V CA -0.739 61.180 62.300 -0.635 0.000 0.980 134 V CB 2.332 33.427 31.823 -1.214 0.000 1.033 134 V HN 0.792 nan 8.190 nan 0.000 0.429 135 S N 3.527 119.026 115.700 -0.336 0.000 2.404 135 S HA 0.531 5.001 4.470 -0.000 0.000 0.309 135 S C -0.744 173.841 174.600 -0.024 0.000 1.076 135 S CA -0.457 57.699 58.200 -0.074 0.000 1.095 135 S CB 0.453 63.725 63.200 0.120 0.000 0.972 135 S HN 0.615 nan 8.310 nan 0.000 0.484 136 V N 5.940 125.865 119.914 0.018 0.000 2.348 136 V HA 0.450 4.570 4.120 -0.000 0.000 0.270 136 V C 1.409 177.623 176.094 0.199 0.000 1.037 136 V CA -0.555 61.807 62.300 0.103 0.000 0.872 136 V CB 0.579 32.445 31.823 0.071 0.000 1.002 136 V HN 0.906 nan 8.190 nan 0.000 0.464 137 G N 4.620 113.556 108.800 0.226 0.000 2.661 137 G HA2 0.288 4.248 3.960 -0.000 0.000 0.272 137 G HA3 0.288 4.248 3.960 -0.000 0.000 0.272 137 G C 0.011 174.910 174.900 -0.003 0.000 1.296 137 G CA -0.631 44.408 45.100 -0.102 0.000 0.998 137 G HN 0.642 nan 8.290 nan 0.000 0.553 138 I N 1.132 121.554 120.570 -0.246 0.000 2.416 138 I HA 0.109 4.279 4.170 -0.000 0.000 0.288 138 I C 0.315 176.050 176.117 -0.637 0.000 1.051 138 I CA -0.377 60.593 61.300 -0.551 0.000 1.375 138 I CB 1.107 38.656 38.000 -0.752 0.000 1.407 138 I HN 0.177 nan 8.210 nan 0.000 0.516 139 M N 4.412 123.493 119.600 -0.864 0.000 2.513 139 M HA 0.226 4.706 4.480 -0.000 0.000 0.291 139 M C 0.881 176.747 176.300 -0.723 0.000 1.190 139 M CA -0.268 54.739 55.300 -0.489 0.000 0.960 139 M CB 0.707 33.346 32.600 0.065 0.000 1.517 139 M HN 0.443 nan 8.290 nan 0.000 0.499 140 D N 0.411 120.632 120.400 -0.298 0.000 2.327 140 D HA 0.051 4.691 4.640 -0.000 0.000 0.205 140 D C 0.301 176.564 176.300 -0.062 0.000 0.989 140 D CA 0.938 54.814 54.000 -0.206 0.000 0.873 140 D CB 0.690 41.423 40.800 -0.113 0.000 0.955 140 D HN 0.720 nan 8.370 nan 0.000 0.515 141 T N -2.388 112.198 114.554 0.054 0.000 2.864 141 T HA 0.339 4.689 4.350 -0.000 0.000 0.299 141 T C 1.238 176.140 174.700 0.337 0.000 1.166 141 T CA -0.771 61.438 62.100 0.182 0.000 1.007 141 T CB 1.669 70.599 68.868 0.103 0.000 1.219 141 T HN -0.352 nan 8.240 nan 0.000 0.506 142 I N 1.222 121.949 120.570 0.261 0.000 2.072 142 I HA 0.010 4.180 4.170 -0.000 0.000 0.235 142 I C -0.588 175.610 176.117 0.136 0.000 1.058 142 I CA 0.626 62.029 61.300 0.171 0.000 1.320 142 I CB -2.630 35.409 38.000 0.064 0.000 1.047 142 I HN 0.506 nan 8.210 nan 0.000 0.397 143 P HA -0.254 nan 4.420 nan 0.000 0.217 143 P C 1.782 179.143 177.300 0.102 0.000 1.162 143 P CA 1.804 64.950 63.100 0.076 0.000 0.901 143 P CB -0.242 31.490 31.700 0.053 0.000 0.793 144 Q N -0.907 118.959 119.800 0.110 0.000 2.012 144 Q HA -0.257 4.083 4.340 -0.000 0.000 0.211 144 Q C 2.126 178.214 176.000 0.146 0.000 1.009 144 Q CA 2.042 57.910 55.803 0.109 0.000 0.866 144 Q CB -0.920 27.878 28.738 0.101 0.000 0.945 144 Q HN 0.046 nan 8.270 nan 0.000 0.414 145 L N 0.609 121.965 121.223 0.221 0.000 1.965 145 L HA -0.278 4.062 4.340 -0.000 0.000 0.226 145 L C 2.305 179.294 176.870 0.199 0.000 1.083 145 L CA 2.056 57.048 54.840 0.253 0.000 0.790 145 L CB -0.913 41.339 42.059 0.322 0.000 0.898 145 L HN 0.447 nan 8.230 nan 0.000 0.439 146 L N -0.494 120.845 121.223 0.193 0.000 2.034 146 L HA -0.356 3.984 4.340 -0.000 0.000 0.217 146 L C 2.382 179.446 176.870 0.324 0.000 1.077 146 L CA 1.814 56.825 54.840 0.285 0.000 0.769 146 L CB -0.971 41.187 42.059 0.166 0.000 0.890 146 L HN 0.478 nan 8.230 nan 0.000 0.435 147 D N -0.522 119.991 120.400 0.188 0.000 2.087 147 D HA -0.162 4.478 4.640 -0.000 0.000 0.192 147 D C 2.268 178.622 176.300 0.088 0.000 0.993 147 D CA 1.566 55.649 54.000 0.138 0.000 0.828 147 D CB -0.468 40.377 40.800 0.075 0.000 0.968 147 D HN 0.134 nan 8.370 nan 0.000 0.448 148 V N 1.248 121.201 119.914 0.066 0.000 2.231 148 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 148 V C 2.735 178.833 176.094 0.007 0.000 1.058 148 V CA 1.505 63.805 62.300 0.001 0.000 1.022 148 V CB -0.871 31.018 31.823 0.111 0.000 0.640 148 V HN 0.031 nan 8.190 nan 0.000 0.445 149 V N 0.798 120.759 119.914 0.079 0.000 2.217 149 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 149 V C 2.709 178.631 176.094 -0.287 0.000 1.050 149 V CA 2.686 64.954 62.300 -0.054 0.000 1.007 149 V CB -1.692 30.063 31.823 -0.113 0.000 0.639 149 V HN 0.650 nan 8.190 nan 0.000 0.452 150 G N -0.481 108.031 108.800 -0.481 0.000 2.545 150 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.222 150 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.222 150 G C 1.555 176.393 174.900 -0.102 0.000 1.126 150 G CA 1.375 46.275 45.100 -0.334 0.000 0.754 150 G HN 0.708 nan 8.290 nan 0.000 0.583 151 G N -0.045 108.704 108.800 -0.085 0.000 2.480 151 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 151 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 151 G C 1.615 176.424 174.900 -0.152 0.000 1.200 151 G CA 1.056 46.060 45.100 -0.160 0.000 0.782 151 G HN 0.515 nan 8.290 nan 0.000 0.554 152 Y N 0.194 120.482 120.300 -0.019 0.000 2.242 152 Y HA 0.067 4.617 4.550 -0.000 0.000 0.291 152 Y C 2.829 178.780 175.900 0.086 0.000 1.137 152 Y CA 0.325 58.472 58.100 0.078 0.000 1.181 152 Y CB -0.123 38.331 38.460 -0.010 0.000 0.989 152 Y HN 0.064 nan 8.280 nan 0.000 0.527 153 L N -0.120 121.147 121.223 0.073 0.000 2.079 153 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 153 L C 1.697 178.571 176.870 0.006 0.000 1.081 153 L CA 1.289 56.117 54.840 -0.021 0.000 0.752 153 L CB -0.373 41.546 42.059 -0.233 0.000 0.896 153 L HN 0.306 nan 8.230 nan 0.000 0.433 154 D N -0.411 119.990 120.400 0.001 0.000 2.149 154 D HA -0.171 4.469 4.640 -0.000 0.000 0.201 154 D C 1.995 178.284 176.300 -0.019 0.000 0.972 154 D CA 0.896 54.895 54.000 -0.002 0.000 0.835 154 D CB -0.089 40.711 40.800 0.001 0.000 0.966 154 D HN 0.360 nan 8.370 nan 0.000 0.476 155 E N -0.180 120.009 120.200 -0.017 0.000 2.267 155 E HA -0.068 4.282 4.350 -0.000 0.000 0.197 155 E C 1.138 177.625 176.600 -0.188 0.000 0.998 155 E CA 0.880 57.229 56.400 -0.085 0.000 0.830 155 E CB 0.106 29.779 29.700 -0.045 0.000 0.751 155 E HN 0.394 nan 8.360 nan 0.000 0.491 156 G N -0.030 108.684 108.800 -0.143 0.000 2.192 156 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.193 156 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.193 156 G C -0.151 174.670 174.900 -0.132 0.000 0.999 156 G CA -0.299 44.720 45.100 -0.134 0.000 0.659 156 G HN 0.221 nan 8.290 nan 0.000 0.503 157 Y N 0.275 120.585 120.300 0.017 0.000 2.811 157 Y HA 0.168 4.718 4.550 -0.000 0.000 0.334 157 Y C 2.001 177.885 175.900 -0.027 0.000 1.247 157 Y CA 0.587 58.679 58.100 -0.012 0.000 1.526 157 Y CB 1.021 39.462 38.460 -0.033 0.000 1.284 157 Y HN -0.032 nan 8.280 nan 0.000 0.586 158 V N 3.127 123.123 119.914 0.138 0.000 2.649 158 V HA -0.072 4.048 4.120 -0.000 0.000 0.248 158 V C 0.750 176.851 176.094 0.013 0.000 1.054 158 V CA 1.358 63.691 62.300 0.055 0.000 1.073 158 V CB -0.271 31.570 31.823 0.030 0.000 0.699 158 V HN 0.704 nan 8.190 nan 0.000 0.463 159 R N -0.120 120.374 120.500 -0.011 0.000 2.740 159 R HA 0.479 4.819 4.340 -0.000 0.000 0.273 159 R C -1.996 174.242 176.300 -0.103 0.000 0.998 159 R CA -0.687 55.371 56.100 -0.070 0.000 0.900 159 R CB 1.946 32.172 30.300 -0.123 0.000 1.223 159 R HN 0.212 nan 8.270 nan 0.000 0.466 160 I N 2.893 123.399 120.570 -0.108 0.000 2.389 160 I HA 0.325 4.495 4.170 -0.000 0.000 0.288 160 I C -0.274 175.777 176.117 -0.110 0.000 0.999 160 I CA -0.731 60.497 61.300 -0.119 0.000 1.129 160 I CB 1.999 39.940 38.000 -0.098 0.000 1.288 160 I HN 0.484 nan 8.210 nan 0.000 0.444 161 K N 7.909 128.242 120.400 -0.111 0.000 2.213 161 K HA 0.582 4.902 4.320 -0.000 0.000 0.270 161 K C -1.490 175.111 176.600 0.001 0.000 1.002 161 K CA -0.524 55.730 56.287 -0.055 0.000 0.868 161 K CB 1.074 33.547 32.500 -0.045 0.000 1.093 161 K HN 0.596 nan 8.250 nan 0.000 0.454 162 L N 5.272 126.508 121.223 0.022 0.000 2.294 162 L HA 0.336 4.676 4.340 -0.000 0.000 0.283 162 L C -0.169 176.769 176.870 0.113 0.000 1.015 162 L CA -1.180 53.696 54.840 0.060 0.000 0.831 162 L CB 1.418 43.469 42.059 -0.014 0.000 1.217 162 L HN 0.524 nan 8.230 nan 0.000 0.420 163 K N 4.950 125.447 120.400 0.163 0.000 2.484 163 K HA 0.269 4.589 4.320 -0.000 0.000 0.280 163 K C -0.195 176.587 176.600 0.303 0.000 1.013 163 K CA 0.291 56.675 56.287 0.161 0.000 1.029 163 K CB 0.776 33.282 32.500 0.010 0.000 0.902 163 K HN 0.611 nan 8.250 nan 0.000 0.481 164 I N -2.182 118.549 120.570 0.267 0.000 3.108 164 I HA 0.618 4.788 4.170 -0.000 0.000 0.312 164 I C -0.538 175.777 176.117 0.330 0.000 1.095 164 I CA -0.835 60.677 61.300 0.354 0.000 1.000 164 I CB 2.632 40.763 38.000 0.217 0.000 1.229 164 I HN 0.598 nan 8.210 nan 0.000 0.454 165 E N 2.753 123.168 120.200 0.359 0.000 2.401 165 E HA 0.357 4.707 4.350 -0.000 0.000 0.283 165 E C -2.990 173.695 176.600 0.142 0.000 1.053 165 E CA -1.724 54.765 56.400 0.148 0.000 0.842 165 E CB 2.482 32.212 29.700 0.049 0.000 1.222 165 E HN 0.411 nan 8.360 nan 0.000 0.429 166 P HA 0.047 nan 4.420 nan 0.000 0.260 166 P C 0.673 178.020 177.300 0.079 0.000 1.172 166 P CA 1.893 64.981 63.100 -0.020 0.000 0.760 166 P CB 0.421 32.008 31.700 -0.188 0.000 0.773 167 G N 2.282 111.172 108.800 0.151 0.000 2.254 167 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.225 167 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.225 167 G C -0.333 174.721 174.900 0.257 0.000 1.003 167 G CA -0.270 44.920 45.100 0.150 0.000 0.622 167 G HN 0.591 nan 8.290 nan 0.000 0.507 168 W N 2.992 124.317 121.300 0.043 0.000 2.317 168 W HA 0.477 5.137 4.660 -0.000 0.000 0.290 168 W C -0.459 176.096 176.519 0.061 0.000 0.937 168 W CA 0.114 57.477 57.345 0.029 0.000 1.790 168 W CB 0.277 29.738 29.460 0.002 0.000 1.847 168 W HN 0.336 nan 8.180 nan 0.000 0.411 169 D N 0.399 120.828 120.400 0.049 0.000 3.029 169 D HA -0.023 4.617 4.640 -0.000 0.000 0.181 169 D C 1.783 177.971 176.300 -0.187 0.000 1.356 169 D CA -0.084 53.898 54.000 -0.030 0.000 1.532 169 D CB 0.296 41.124 40.800 0.046 0.000 1.204 169 D HN -0.034 nan 8.370 nan 0.000 0.184 170 V N 1.956 121.795 119.914 -0.125 0.000 2.231 170 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 170 V C 2.478 178.375 176.094 -0.328 0.000 1.054 170 V CA 2.124 64.313 62.300 -0.185 0.000 1.015 170 V CB -0.674 31.138 31.823 -0.018 0.000 0.638 170 V HN 0.238 nan 8.190 nan 0.000 0.444 171 E N -0.133 119.930 120.200 -0.229 0.000 2.035 171 E HA -0.199 4.151 4.350 -0.000 0.000 0.204 171 E C 0.428 176.802 176.600 -0.375 0.000 1.025 171 E CA 2.261 58.515 56.400 -0.243 0.000 0.835 171 E CB -2.256 27.358 29.700 -0.144 0.000 0.764 171 E HN 0.505 nan 8.360 nan 0.000 0.457 172 P HA -0.142 nan 4.420 nan 0.000 0.216 172 P C 1.914 178.904 177.300 -0.517 0.000 1.154 172 P CA 1.214 63.863 63.100 -0.752 0.000 0.865 172 P CB -0.152 30.688 31.700 -1.433 0.000 0.789 173 V N 0.497 120.097 119.914 -0.523 0.000 2.223 173 V HA -0.235 3.885 4.120 -0.000 0.000 0.244 173 V C 2.841 178.564 176.094 -0.618 0.000 1.045 173 V CA 2.116 64.098 62.300 -0.530 0.000 1.000 173 V CB -1.179 30.276 31.823 -0.614 0.000 0.635 173 V HN 0.049 nan 8.190 nan 0.000 0.445 174 R N 0.147 120.152 120.500 -0.825 0.000 2.153 174 R HA -0.282 4.058 4.340 -0.000 0.000 0.252 174 R C 2.150 178.297 176.300 -0.256 0.000 1.158 174 R CA 2.031 57.770 56.100 -0.602 0.000 0.975 174 R CB -0.438 29.679 30.300 -0.305 0.000 0.871 174 R HN 0.537 nan 8.270 nan 0.000 0.450 175 A N -0.241 122.433 122.820 -0.243 0.000 1.897 175 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 175 A C 2.212 179.746 177.584 -0.084 0.000 1.181 175 A CA 1.351 53.301 52.037 -0.145 0.000 0.620 175 A CB -0.274 18.636 19.000 -0.149 0.000 0.821 175 A HN 0.229 nan 8.150 nan 0.000 0.443 176 V N -0.361 119.511 119.914 -0.071 0.000 2.548 176 V HA -0.127 3.993 4.120 -0.000 0.000 0.249 176 V C 2.646 178.803 176.094 0.106 0.000 1.055 176 V CA 1.964 64.319 62.300 0.092 0.000 1.065 176 V CB -0.707 31.156 31.823 0.067 0.000 0.681 176 V HN 0.458 nan 8.190 nan 0.000 0.462 177 R N 0.533 121.040 120.500 0.012 0.000 2.062 177 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 177 R C 2.227 178.560 176.300 0.056 0.000 1.136 177 R CA 1.769 57.907 56.100 0.064 0.000 0.948 177 R CB -0.676 29.691 30.300 0.112 0.000 0.845 177 R HN 0.622 nan 8.270 nan 0.000 0.430 178 E N -0.321 119.889 120.200 0.018 0.000 2.035 178 E HA -0.309 4.041 4.350 -0.000 0.000 0.204 178 E C 2.053 178.617 176.600 -0.061 0.000 1.025 178 E CA 1.994 58.389 56.400 -0.008 0.000 0.835 178 E CB -0.126 29.557 29.700 -0.028 0.000 0.764 178 E HN 0.099 nan 8.360 nan 0.000 0.457 179 R N -0.733 119.682 120.500 -0.142 0.000 2.075 179 R HA -0.082 4.258 4.340 -0.000 0.000 0.232 179 R C 2.081 178.098 176.300 -0.472 0.000 1.126 179 R CA 1.635 57.523 56.100 -0.353 0.000 0.963 179 R CB -0.283 29.699 30.300 -0.529 0.000 0.858 179 R HN 0.189 nan 8.270 nan 0.000 0.435 180 F N -0.535 119.415 119.950 -0.001 0.000 2.698 180 F HA 0.354 4.881 4.527 -0.000 0.000 0.295 180 F C 1.165 176.972 175.800 0.011 0.000 1.124 180 F CA 0.625 58.629 58.000 0.006 0.000 1.426 180 F CB 0.747 39.752 39.000 0.008 0.000 1.120 180 F HN 0.340 nan 8.300 nan 0.000 0.583 181 G N 0.316 109.192 108.800 0.127 0.000 2.541 181 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.686 181 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.686 181 G C -0.524 174.432 174.900 0.094 0.000 1.286 181 G CA -0.398 44.756 45.100 0.091 0.000 0.894 181 G HN -0.010 nan 8.290 nan 0.000 0.575 182 D N -0.369 120.073 120.400 0.070 0.000 2.327 182 D HA 0.122 4.762 4.640 -0.000 0.000 0.205 182 D C 1.461 177.792 176.300 0.052 0.000 0.989 182 D CA 0.805 54.844 54.000 0.064 0.000 0.873 182 D CB 0.198 41.027 40.800 0.048 0.000 0.955 182 D HN 0.434 nan 8.370 nan 0.000 0.515 183 D N 0.584 121.014 120.400 0.050 0.000 2.336 183 D HA 0.027 4.667 4.640 -0.000 0.000 0.228 183 D C 0.103 176.425 176.300 0.036 0.000 1.120 183 D CA 0.093 54.116 54.000 0.038 0.000 0.839 183 D CB 1.183 42.002 40.800 0.033 0.000 0.932 183 D HN 0.023 nan 8.370 nan 0.000 0.509 184 V N 1.451 121.392 119.914 0.044 0.000 2.546 184 V HA 0.134 4.254 4.120 -0.000 0.000 0.284 184 V C 0.820 176.920 176.094 0.009 0.000 1.050 184 V CA -0.706 61.613 62.300 0.031 0.000 0.981 184 V CB 1.785 33.636 31.823 0.047 0.000 0.990 184 V HN 0.038 nan 8.190 nan 0.000 0.474 185 L N 5.526 126.742 121.223 -0.011 0.000 2.536 185 L HA 0.237 4.577 4.340 -0.000 0.000 0.282 185 L C -0.347 176.492 176.870 -0.052 0.000 1.147 185 L CA 0.130 54.948 54.840 -0.036 0.000 0.936 185 L CB 0.177 42.203 42.059 -0.056 0.000 1.279 185 L HN 0.458 nan 8.230 nan 0.000 0.461 186 L N 5.140 126.340 121.223 -0.038 0.000 2.346 186 L HA 0.522 4.862 4.340 -0.000 0.000 0.276 186 L C -0.366 176.474 176.870 -0.050 0.000 1.006 186 L CA 0.002 54.816 54.840 -0.043 0.000 0.817 186 L CB 1.848 43.899 42.059 -0.014 0.000 1.272 186 L HN 0.679 nan 8.230 nan 0.000 0.421 187 Q N 3.693 123.456 119.800 -0.063 0.000 2.482 187 Q HA 0.749 5.089 4.340 -0.000 0.000 0.286 187 Q C -1.592 174.396 176.000 -0.019 0.000 1.007 187 Q CA -0.972 54.802 55.803 -0.049 0.000 0.801 187 Q CB 2.103 30.779 28.738 -0.103 0.000 1.455 187 Q HN 0.488 nan 8.270 nan 0.000 0.398 188 V N -1.920 118.004 119.914 0.016 0.000 3.302 188 V HA 0.763 4.883 4.120 -0.000 0.000 0.304 188 V C -0.889 175.267 176.094 0.104 0.000 1.209 188 V CA -0.487 61.839 62.300 0.043 0.000 1.032 188 V CB 1.802 33.637 31.823 0.020 0.000 1.219 188 V HN 0.967 nan 8.190 nan 0.000 0.469 189 D N -0.882 119.597 120.400 0.131 0.000 2.362 189 D HA 0.458 5.098 4.640 -0.000 0.000 0.228 189 D C 0.183 176.600 176.300 0.196 0.000 1.326 189 D CA 0.281 54.389 54.000 0.180 0.000 0.927 189 D CB 1.177 42.103 40.800 0.210 0.000 1.501 189 D HN 0.938 nan 8.370 nan 0.000 0.519 190 A N 3.104 126.057 122.820 0.221 0.000 2.235 190 A HA 0.079 4.399 4.320 -0.000 0.000 0.208 190 A C 1.071 178.810 177.584 0.257 0.000 1.172 190 A CA 0.284 52.499 52.037 0.296 0.000 0.786 190 A CB -0.747 18.517 19.000 0.440 0.000 0.804 190 A HN 0.727 nan 8.150 nan 0.000 0.479 191 N N -0.403 118.445 118.700 0.246 0.000 2.696 191 N HA -0.247 4.493 4.740 -0.000 0.000 0.254 191 N C 0.474 176.113 175.510 0.215 0.000 0.988 191 N CA 1.500 54.713 53.050 0.272 0.000 0.775 191 N CB -1.286 37.427 38.487 0.376 0.000 0.933 191 N HN 1.051 nan 8.380 nan 0.000 0.539 192 T N -6.740 107.929 114.554 0.192 0.000 5.346 192 T HA -0.284 4.066 4.350 -0.000 0.000 0.270 192 T C 0.911 175.681 174.700 0.117 0.000 2.138 192 T CA 1.421 63.607 62.100 0.144 0.000 3.645 192 T CB -1.782 67.131 68.868 0.076 0.000 0.789 192 T HN 0.661 nan 8.240 nan 0.000 1.070 193 A N -0.441 122.464 122.820 0.140 0.000 2.014 193 A HA 0.451 4.771 4.320 -0.000 0.000 0.218 193 A C 0.801 178.237 177.584 -0.247 0.000 1.163 193 A CA 0.979 52.981 52.037 -0.059 0.000 0.652 193 A CB -0.313 18.604 19.000 -0.138 0.000 0.808 193 A HN 0.837 nan 8.150 nan 0.000 0.449 194 Y N -0.332 119.985 120.300 0.028 0.000 2.565 194 Y HA 0.530 5.079 4.550 -0.000 0.000 0.325 194 Y C 0.969 176.857 175.900 -0.020 0.000 1.221 194 Y CA -0.329 57.775 58.100 0.007 0.000 1.316 194 Y CB 0.710 39.174 38.460 0.008 0.000 1.404 194 Y HN 0.099 nan 8.280 nan 0.000 0.527 195 T N -2.061 112.594 114.554 0.167 0.000 2.906 195 T HA 0.295 4.645 4.350 -0.000 0.000 0.295 195 T C 0.270 174.998 174.700 0.046 0.000 1.075 195 T CA -0.855 61.280 62.100 0.059 0.000 1.005 195 T CB 1.267 70.150 68.868 0.025 0.000 1.136 195 T HN 0.527 nan 8.240 nan 0.000 0.498 196 L N 2.103 123.322 121.223 -0.005 0.000 2.129 196 L HA 0.154 4.494 4.340 -0.000 0.000 0.212 196 L C 2.310 179.184 176.870 0.007 0.000 1.087 196 L CA 2.582 57.412 54.840 -0.017 0.000 0.757 196 L CB -1.153 40.887 42.059 -0.031 0.000 0.896 196 L HN 1.000 nan 8.230 nan 0.000 0.434 197 G N -1.751 107.060 108.800 0.018 0.000 2.679 197 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.212 197 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.212 197 G C 0.869 175.797 174.900 0.046 0.000 1.137 197 G CA 0.632 45.747 45.100 0.025 0.000 0.787 197 G HN 0.444 nan 8.290 nan 0.000 0.534 198 D N 0.089 120.533 120.400 0.074 0.000 2.363 198 D HA 0.283 4.923 4.640 -0.000 0.000 0.214 198 D C 2.329 178.665 176.300 0.060 0.000 1.093 198 D CA 0.443 54.514 54.000 0.119 0.000 0.837 198 D CB 0.470 41.445 40.800 0.292 0.000 0.948 198 D HN 0.210 nan 8.370 nan 0.000 0.507 199 A N 2.147 124.980 122.820 0.022 0.000 1.903 199 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 199 A C -0.257 177.322 177.584 -0.008 0.000 1.191 199 A CA 1.401 53.433 52.037 -0.008 0.000 0.638 199 A CB -1.389 17.606 19.000 -0.007 0.000 0.823 199 A HN 0.182 nan 8.150 nan 0.000 0.451 200 P HA -0.186 nan 4.420 nan 0.000 0.215 200 P C 1.596 178.903 177.300 0.011 0.000 1.153 200 P CA 1.782 64.888 63.100 0.009 0.000 0.853 200 P CB -0.091 31.619 31.700 0.017 0.000 0.788 201 Q N -0.122 119.691 119.800 0.023 0.000 2.119 201 Q HA -0.088 4.252 4.340 -0.000 0.000 0.201 201 Q C 2.001 177.989 176.000 -0.020 0.000 0.972 201 Q CA 1.459 57.279 55.803 0.028 0.000 0.847 201 Q CB -1.093 27.696 28.738 0.085 0.000 0.903 201 Q HN 0.187 nan 8.270 nan 0.000 0.433 202 L N -0.454 120.725 121.223 -0.074 0.000 2.240 202 L HA 0.100 4.440 4.340 -0.000 0.000 0.211 202 L C 2.294 179.132 176.870 -0.053 0.000 1.106 202 L CA 0.631 55.395 54.840 -0.127 0.000 0.793 202 L CB -0.657 41.259 42.059 -0.239 0.000 0.927 202 L HN 0.258 nan 8.230 nan 0.000 0.446 203 A N 0.225 123.027 122.820 -0.029 0.000 2.015 203 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 203 A C 2.339 179.923 177.584 0.000 0.000 1.163 203 A CA 1.033 53.062 52.037 -0.014 0.000 0.646 203 A CB -0.472 18.521 19.000 -0.012 0.000 0.806 203 A HN 0.285 nan 8.150 nan 0.000 0.448 204 R N -0.600 119.911 120.500 0.017 0.000 2.249 204 R HA -0.037 4.303 4.340 -0.000 0.000 0.230 204 R C 1.301 177.683 176.300 0.136 0.000 1.121 204 R CA 0.929 57.063 56.100 0.057 0.000 0.997 204 R CB -0.332 30.010 30.300 0.069 0.000 0.867 204 R HN 0.554 nan 8.270 nan 0.000 0.465 205 L N -0.339 120.960 121.223 0.126 0.000 2.509 205 L HA -0.034 4.306 4.340 -0.000 0.000 0.222 205 L C 1.191 178.146 176.870 0.141 0.000 1.123 205 L CA 0.161 55.157 54.840 0.260 0.000 0.856 205 L CB -0.217 41.920 42.059 0.130 0.000 0.985 205 L HN 0.036 nan 8.230 nan 0.000 0.456 206 D N 0.995 121.400 120.400 0.007 0.000 2.170 206 D HA -0.189 4.451 4.640 -0.000 0.000 0.193 206 D C -0.512 175.717 176.300 -0.119 0.000 1.004 206 D CA 1.580 55.553 54.000 -0.046 0.000 0.860 206 D CB -1.225 39.540 40.800 -0.058 0.000 0.931 206 D HN 0.286 nan 8.370 nan 0.000 0.448 207 P HA -0.083 nan 4.420 nan 0.000 0.219 207 P C 1.351 178.353 177.300 -0.497 0.000 1.150 207 P CA 0.806 63.624 63.100 -0.470 0.000 0.814 207 P CB -0.283 30.999 31.700 -0.697 0.000 0.787 208 F N -0.165 119.770 119.950 -0.025 0.000 2.408 208 F HA 0.167 4.694 4.527 -0.000 0.000 0.300 208 F C 1.710 177.498 175.800 -0.019 0.000 1.090 208 F CA 0.952 58.937 58.000 -0.024 0.000 1.427 208 F CB -1.560 37.421 39.000 -0.031 0.000 1.070 208 F HN -0.013 nan 8.300 nan 0.000 0.549 209 G N 1.574 110.419 108.800 0.075 0.000 2.289 209 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.280 209 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.280 209 G C -0.068 174.866 174.900 0.057 0.000 1.089 209 G CA -0.350 44.777 45.100 0.045 0.000 0.939 209 G HN 0.290 nan 8.290 nan 0.000 0.499 210 L N -0.532 120.729 121.223 0.065 0.000 2.417 210 L HA 0.315 4.655 4.340 -0.000 0.000 0.268 210 L C 2.136 179.016 176.870 0.016 0.000 1.158 210 L CA -0.775 54.089 54.840 0.040 0.000 0.819 210 L CB 0.856 42.942 42.059 0.045 0.000 1.112 210 L HN 0.167 nan 8.230 nan 0.000 0.458 211 L N 3.252 124.471 121.223 -0.007 0.000 2.465 211 L HA -0.034 4.306 4.340 -0.000 0.000 0.224 211 L C -0.272 176.599 176.870 0.002 0.000 1.145 211 L CA 0.485 55.314 54.840 -0.018 0.000 0.834 211 L CB -0.054 41.965 42.059 -0.067 0.000 0.944 211 L HN 0.568 nan 8.230 nan 0.000 0.451 212 L N -3.727 117.505 121.223 0.015 0.000 3.196 212 L HA 0.352 4.692 4.340 -0.000 0.000 0.224 212 L C -1.332 175.573 176.870 0.058 0.000 0.998 212 L CA -1.031 53.837 54.840 0.046 0.000 1.067 212 L CB 0.760 42.864 42.059 0.075 0.000 1.467 212 L HN -0.112 nan 8.230 nan 0.000 0.412 213 I N 0.721 121.336 120.570 0.075 0.000 2.382 213 I HA 0.611 4.781 4.170 -0.000 0.000 0.286 213 I C -0.383 175.809 176.117 0.127 0.000 1.002 213 I CA 0.092 61.439 61.300 0.080 0.000 1.135 213 I CB 1.454 39.475 38.000 0.036 0.000 1.288 213 I HN 0.850 nan 8.210 nan 0.000 0.448 214 E N 5.801 126.097 120.200 0.159 0.000 2.229 214 E HA 0.161 4.511 4.350 -0.000 0.000 0.283 214 E C -0.221 176.490 176.600 0.185 0.000 1.030 214 E CA -0.477 56.040 56.400 0.195 0.000 0.836 214 E CB 0.795 30.657 29.700 0.270 0.000 1.068 214 E HN 0.685 nan 8.360 nan 0.000 0.401 215 Q N 3.517 123.418 119.800 0.168 0.000 2.431 215 Q HA -0.171 4.169 4.340 -0.000 0.000 0.344 215 Q C -2.019 174.151 176.000 0.282 0.000 1.384 215 Q CA 0.476 56.410 55.803 0.217 0.000 0.984 215 Q CB -0.440 28.388 28.738 0.150 0.000 1.204 215 Q HN 0.535 nan 8.270 nan 0.000 0.392 216 P HA -0.146 nan 4.420 nan 0.000 0.216 216 P C 0.155 177.563 177.300 0.181 0.000 1.150 216 P CA 1.425 64.636 63.100 0.185 0.000 0.837 216 P CB 0.161 31.894 31.700 0.055 0.000 0.786 217 L N -1.556 119.719 121.223 0.087 0.000 2.260 217 L HA 0.379 4.719 4.340 -0.000 0.000 0.265 217 L C 0.939 177.890 176.870 0.136 0.000 1.015 217 L CA -1.531 53.304 54.840 -0.010 0.000 0.826 217 L CB 0.481 42.352 42.059 -0.313 0.000 1.373 217 L HN -0.082 nan 8.230 nan 0.000 0.450 218 E N -0.074 120.168 120.200 0.070 0.000 2.485 218 E HA -0.151 4.199 4.350 -0.000 0.000 0.266 218 E C 0.445 177.106 176.600 0.100 0.000 1.137 218 E CA 0.010 56.449 56.400 0.065 0.000 1.010 218 E CB 0.793 30.502 29.700 0.016 0.000 0.986 218 E HN 0.722 nan 8.360 nan 0.000 0.460 219 E N 0.972 121.180 120.200 0.013 0.000 2.058 219 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 219 E C 1.328 177.928 176.600 0.001 0.000 0.997 219 E CA 1.788 58.173 56.400 -0.026 0.000 0.801 219 E CB 0.066 29.709 29.700 -0.095 0.000 0.746 219 E HN 0.617 nan 8.360 nan 0.000 0.450 220 E N 0.347 120.550 120.200 0.005 0.000 2.502 220 E HA -0.052 4.298 4.350 -0.000 0.000 0.194 220 E C -0.124 176.500 176.600 0.039 0.000 1.062 220 E CA 0.267 56.671 56.400 0.007 0.000 0.867 220 E CB 0.253 29.949 29.700 -0.008 0.000 0.888 220 E HN 0.077 nan 8.360 nan 0.000 0.510 221 D N 0.135 120.588 120.400 0.090 0.000 2.943 221 D HA 0.049 4.689 4.640 -0.000 0.000 0.249 221 D C 0.795 177.243 176.300 0.246 0.000 1.231 221 D CA -0.097 53.969 54.000 0.109 0.000 0.979 221 D CB 0.189 41.009 40.800 0.033 0.000 1.053 221 D HN -0.144 nan 8.370 nan 0.000 0.504 222 V N 1.080 121.086 119.914 0.153 0.000 2.220 222 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 222 V C 2.622 178.796 176.094 0.134 0.000 1.049 222 V CA 1.340 63.721 62.300 0.136 0.000 1.003 222 V CB -0.586 31.253 31.823 0.028 0.000 0.634 222 V HN 0.490 nan 8.190 nan 0.000 0.444 223 L N 0.591 121.855 121.223 0.068 0.000 2.129 223 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 223 L C 2.591 179.486 176.870 0.043 0.000 1.087 223 L CA 1.745 56.611 54.840 0.045 0.000 0.757 223 L CB -1.285 40.787 42.059 0.022 0.000 0.896 223 L HN 0.538 nan 8.230 nan 0.000 0.434 224 G N -1.164 107.657 108.800 0.035 0.000 2.408 224 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 224 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 224 G C 1.156 176.027 174.900 -0.048 0.000 1.150 224 G CA 0.544 45.628 45.100 -0.027 0.000 0.776 224 G HN 0.419 nan 8.290 nan 0.000 0.542 225 H N 0.485 119.557 119.070 0.004 0.000 2.457 225 H HA 0.202 4.758 4.556 -0.000 0.000 0.294 225 H C 2.752 178.081 175.328 0.002 0.000 1.064 225 H CA 1.103 57.154 56.048 0.006 0.000 1.330 225 H CB 0.125 29.889 29.762 0.004 0.000 1.395 225 H HN 0.416 nan 8.280 nan 0.000 0.541 226 A N 0.603 123.492 122.820 0.116 0.000 1.897 226 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 226 A C 2.204 179.810 177.584 0.037 0.000 1.181 226 A CA 1.296 53.370 52.037 0.062 0.000 0.620 226 A CB -0.074 18.950 19.000 0.040 0.000 0.821 226 A HN 0.228 nan 8.150 nan 0.000 0.443 227 E N -0.159 120.056 120.200 0.025 0.000 2.051 227 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 227 E C 1.988 178.591 176.600 0.005 0.000 0.991 227 E CA 1.251 57.657 56.400 0.009 0.000 0.799 227 E CB -0.526 29.174 29.700 -0.001 0.000 0.748 227 E HN 0.452 nan 8.360 nan 0.000 0.449 228 L N 0.860 122.082 121.223 -0.001 0.000 2.043 228 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 228 L C 2.117 178.993 176.870 0.011 0.000 1.075 228 L CA 2.399 57.234 54.840 -0.009 0.000 0.752 228 L CB -0.790 41.246 42.059 -0.039 0.000 0.891 228 L HN 0.082 nan 8.230 nan 0.000 0.432 229 A N -1.020 121.819 122.820 0.032 0.000 2.172 229 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 229 A C 2.369 179.964 177.584 0.018 0.000 1.154 229 A CA 1.359 53.416 52.037 0.032 0.000 0.701 229 A CB -0.551 18.475 19.000 0.043 0.000 0.789 229 A HN 0.541 nan 8.150 nan 0.000 0.465 230 R N -1.071 119.437 120.500 0.013 0.000 2.140 230 R HA 0.099 4.439 4.340 -0.000 0.000 0.213 230 R C 1.935 178.236 176.300 0.002 0.000 1.059 230 R CA 0.820 56.924 56.100 0.007 0.000 1.000 230 R CB -0.037 30.266 30.300 0.006 0.000 0.910 230 R HN 0.419 nan 8.270 nan 0.000 0.455 231 R N 0.325 120.826 120.500 0.000 0.000 2.280 231 R HA 0.181 4.521 4.340 -0.000 0.000 0.195 231 R C 0.527 176.823 176.300 -0.007 0.000 0.935 231 R CA 0.340 56.437 56.100 -0.004 0.000 1.033 231 R CB 0.242 30.538 30.300 -0.006 0.000 0.964 231 R HN 0.214 nan 8.270 nan 0.000 0.489 232 I N -3.966 116.602 120.570 -0.004 0.000 2.828 232 I HA 0.282 4.452 4.170 -0.000 0.000 0.302 232 I C 0.405 176.522 176.117 -0.001 0.000 1.101 232 I CA -0.986 60.311 61.300 -0.006 0.000 1.031 232 I CB 2.323 40.317 38.000 -0.011 0.000 1.231 232 I HN -0.245 nan 8.210 nan 0.000 0.427 233 Q N 1.067 120.864 119.800 -0.005 0.000 2.212 233 Q HA 0.091 4.431 4.340 -0.000 0.000 0.199 233 Q C 0.090 176.093 176.000 0.005 0.000 0.950 233 Q CA 0.784 56.584 55.803 -0.004 0.000 0.863 233 Q CB 0.346 29.075 28.738 -0.014 0.000 0.944 233 Q HN 0.807 nan 8.270 nan 0.000 0.465 234 T N 3.704 118.264 114.554 0.009 0.000 2.853 234 T HA 0.127 4.477 4.350 -0.000 0.000 0.298 234 T C -2.460 172.256 174.700 0.026 0.000 0.978 234 T CA -1.037 61.074 62.100 0.019 0.000 1.152 234 T CB 0.716 69.597 68.868 0.022 0.000 0.914 234 T HN 0.028 nan 8.240 nan 0.000 0.539 235 P HA 0.171 nan 4.420 nan 0.000 0.271 235 P C -0.046 177.289 177.300 0.058 0.000 1.220 235 P CA -0.405 62.720 63.100 0.040 0.000 0.768 235 P CB 0.340 32.063 31.700 0.038 0.000 0.848 236 I N 3.027 123.634 120.570 0.062 0.000 2.471 236 I HA 0.081 4.251 4.170 -0.000 0.000 0.286 236 I C 0.752 176.913 176.117 0.074 0.000 1.079 236 I CA 0.100 61.448 61.300 0.080 0.000 1.398 236 I CB 0.344 38.402 38.000 0.097 0.000 1.403 236 I HN 0.376 nan 8.210 nan 0.000 0.530 237 C N 8.078 127.436 119.300 0.097 0.000 2.417 237 C HA 0.658 5.118 4.460 -0.000 0.000 0.324 237 C C -0.154 174.860 174.990 0.039 0.000 1.240 237 C CA -0.526 58.558 59.018 0.110 0.000 1.632 237 C CB 0.685 28.568 27.740 0.239 0.000 2.241 237 C HN 0.717 nan 8.230 nan 0.000 0.499 238 L N 4.698 125.900 121.223 -0.034 0.000 2.333 238 L HA 0.510 4.850 4.340 -0.000 0.000 0.269 238 L C 0.088 176.907 176.870 -0.085 0.000 1.010 238 L CA -0.173 54.604 54.840 -0.106 0.000 0.818 238 L CB 1.931 43.870 42.059 -0.200 0.000 1.306 238 L HN 0.780 nan 8.230 nan 0.000 0.430 239 D N 0.167 120.530 120.400 -0.061 0.000 2.973 239 D HA -0.011 4.629 4.640 -0.000 0.000 0.187 239 D C 1.280 177.556 176.300 -0.039 0.000 1.467 239 D CA 0.234 54.216 54.000 -0.030 0.000 1.515 239 D CB 0.266 41.113 40.800 0.079 0.000 1.182 239 D HN 0.490 nan 8.370 nan 0.000 0.213 240 E N 0.262 120.427 120.200 -0.058 0.000 2.147 240 E HA -0.121 4.229 4.350 -0.000 0.000 0.199 240 E C 2.020 178.531 176.600 -0.149 0.000 1.005 240 E CA 1.730 58.009 56.400 -0.201 0.000 0.810 240 E CB -0.108 29.398 29.700 -0.323 0.000 0.736 240 E HN 0.097 nan 8.360 nan 0.000 0.460 241 S N -0.169 115.455 115.700 -0.127 0.000 2.453 241 S HA 0.005 4.475 4.470 -0.000 0.000 0.231 241 S C 0.686 175.222 174.600 -0.107 0.000 1.005 241 S CA 0.288 58.415 58.200 -0.121 0.000 0.949 241 S CB 0.148 63.254 63.200 -0.156 0.000 0.774 241 S HN 0.150 nan 8.310 nan 0.000 0.510 242 I N 3.505 124.013 120.570 -0.104 0.000 2.278 242 I HA 0.065 4.235 4.170 -0.000 0.000 0.300 242 I C 1.130 177.205 176.117 -0.070 0.000 1.174 242 I CA 0.172 61.417 61.300 -0.091 0.000 1.347 242 I CB -0.144 37.795 38.000 -0.102 0.000 1.473 242 I HN 0.086 nan 8.210 nan 0.000 0.595 243 V N 2.587 122.462 119.914 -0.064 0.000 3.650 243 V HA 0.271 4.391 4.120 -0.000 0.000 0.271 243 V C 0.688 176.756 176.094 -0.043 0.000 1.281 243 V CA 0.340 62.610 62.300 -0.050 0.000 1.120 243 V CB -0.496 31.296 31.823 -0.052 0.000 0.856 243 V HN 0.690 nan 8.190 nan 0.000 0.443 244 S N -1.981 113.691 115.700 -0.047 0.000 2.636 244 S HA 0.795 5.265 4.470 -0.000 0.000 0.266 244 S C 0.656 175.231 174.600 -0.041 0.000 1.147 244 S CA -0.092 58.085 58.200 -0.038 0.000 0.815 244 S CB 1.082 64.264 63.200 -0.031 0.000 1.119 244 S HN 0.819 nan 8.310 nan 0.000 0.470 245 A N 1.229 124.032 122.820 -0.028 0.000 1.858 245 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 245 A C 2.128 179.692 177.584 -0.034 0.000 1.190 245 A CA 1.987 54.009 52.037 -0.025 0.000 0.617 245 A CB -1.073 17.923 19.000 -0.006 0.000 0.827 245 A HN 0.897 nan 8.150 nan 0.000 0.443 246 R N -0.318 120.165 120.500 -0.029 0.000 2.112 246 R HA -0.198 4.142 4.340 -0.000 0.000 0.242 246 R C 2.290 178.560 176.300 -0.051 0.000 1.137 246 R CA 2.024 58.105 56.100 -0.033 0.000 0.944 246 R CB -0.562 29.722 30.300 -0.026 0.000 0.857 246 R HN 0.438 nan 8.270 nan 0.000 0.435 247 A N 0.396 123.185 122.820 -0.053 0.000 1.940 247 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 247 A C 2.374 179.908 177.584 -0.084 0.000 1.176 247 A CA 1.930 53.929 52.037 -0.064 0.000 0.631 247 A CB -0.967 17.997 19.000 -0.062 0.000 0.814 247 A HN 0.615 nan 8.150 nan 0.000 0.446 248 A N -0.043 122.724 122.820 -0.089 0.000 1.851 248 A HA 0.107 4.427 4.320 -0.000 0.000 0.216 248 A C 2.585 180.077 177.584 -0.155 0.000 1.195 248 A CA 2.548 54.517 52.037 -0.113 0.000 0.622 248 A CB -1.358 17.582 19.000 -0.099 0.000 0.831 248 A HN 1.241 nan 8.150 nan 0.000 0.444 249 A N 0.146 122.877 122.820 -0.148 0.000 1.896 249 A HA -0.320 4.000 4.320 -0.000 0.000 0.220 249 A C 1.797 179.265 177.584 -0.194 0.000 1.206 249 A CA 2.374 54.286 52.037 -0.209 0.000 0.647 249 A CB -0.949 17.994 19.000 -0.095 0.000 0.828 249 A HN 0.524 nan 8.150 nan 0.000 0.455 250 D N -0.301 120.030 120.400 -0.115 0.000 2.097 250 D HA -0.035 4.604 4.640 -0.000 0.000 0.195 250 D C 2.290 178.536 176.300 -0.090 0.000 0.989 250 D CA 1.671 55.620 54.000 -0.085 0.000 0.827 250 D CB -0.649 40.116 40.800 -0.058 0.000 0.966 250 D HN 0.452 nan 8.370 nan 0.000 0.456 251 A N 0.786 123.547 122.820 -0.098 0.000 1.908 251 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 251 A C 2.409 179.935 177.584 -0.097 0.000 1.181 251 A CA 0.982 52.965 52.037 -0.091 0.000 0.627 251 A CB -0.760 18.177 19.000 -0.106 0.000 0.818 251 A HN 0.198 nan 8.150 nan 0.000 0.445 252 I N -0.651 119.833 120.570 -0.143 0.000 2.179 252 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 252 I C 2.478 178.520 176.117 -0.126 0.000 1.088 252 I CA 1.577 62.781 61.300 -0.159 0.000 1.357 252 I CB -0.313 37.511 38.000 -0.293 0.000 1.051 252 I HN 0.292 nan 8.210 nan 0.000 0.409 253 K N 0.583 120.898 120.400 -0.142 0.000 2.160 253 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 253 K C 1.869 178.447 176.600 -0.036 0.000 1.047 253 K CA 1.272 57.516 56.287 -0.073 0.000 0.930 253 K CB -0.101 32.361 32.500 -0.063 0.000 0.720 253 K HN 0.363 nan 8.250 nan 0.000 0.450 254 L N -0.651 120.547 121.223 -0.041 0.000 2.567 254 L HA 0.112 4.452 4.340 -0.000 0.000 0.225 254 L C 0.872 177.736 176.870 -0.011 0.000 1.119 254 L CA 0.188 55.016 54.840 -0.020 0.000 0.871 254 L CB 0.215 42.264 42.059 -0.018 0.000 1.036 254 L HN 0.317 nan 8.230 nan 0.000 0.459 255 G N 0.631 109.420 108.800 -0.018 0.000 2.256 255 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.272 255 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.272 255 G C 0.627 175.530 174.900 0.005 0.000 1.076 255 G CA 0.324 45.420 45.100 -0.006 0.000 0.882 255 G HN 0.444 nan 8.290 nan 0.000 0.497 256 A N -1.489 121.328 122.820 -0.005 0.000 2.348 256 A HA 0.729 5.049 4.320 -0.000 0.000 0.224 256 A C 0.833 178.413 177.584 -0.007 0.000 1.227 256 A CA 1.068 53.116 52.037 0.018 0.000 0.885 256 A CB 0.830 19.835 19.000 0.007 0.000 0.933 256 A HN 1.792 nan 8.150 nan 0.000 0.506 257 V N -1.009 118.889 119.914 -0.027 0.000 3.000 257 V HA 0.368 4.488 4.120 -0.000 0.000 0.300 257 V C -0.664 175.419 176.094 -0.017 0.000 1.251 257 V CA -0.375 61.905 62.300 -0.033 0.000 0.972 257 V CB 2.053 33.830 31.823 -0.076 0.000 1.065 257 V HN 0.433 nan 8.190 nan 0.000 0.431 258 Q N 4.043 123.847 119.800 0.006 0.000 2.288 258 Q HA 0.511 4.851 4.340 -0.000 0.000 0.256 258 Q C -0.507 175.511 176.000 0.030 0.000 0.835 258 Q CA 0.315 56.128 55.803 0.017 0.000 0.958 258 Q CB 1.776 30.530 28.738 0.027 0.000 1.125 258 Q HN 0.710 nan 8.270 nan 0.000 0.513 259 I N 0.170 120.769 120.570 0.048 0.000 2.769 259 I HA 0.366 4.536 4.170 -0.000 0.000 0.298 259 I C -1.113 175.033 176.117 0.050 0.000 1.128 259 I CA -1.038 60.317 61.300 0.091 0.000 1.031 259 I CB 2.808 40.926 38.000 0.197 0.000 1.235 259 I HN -0.294 nan 8.210 nan 0.000 0.423 260 V N 4.446 124.356 119.914 -0.006 0.000 2.588 260 V HA 0.382 4.502 4.120 -0.000 0.000 0.304 260 V C -0.452 175.433 176.094 -0.348 0.000 1.042 260 V CA -0.731 61.492 62.300 -0.130 0.000 0.877 260 V CB 2.134 33.874 31.823 -0.138 0.000 0.996 260 V HN 0.718 nan 8.190 nan 0.000 0.425 261 N N 5.428 123.847 118.700 -0.469 0.000 2.414 261 N HA 0.347 5.087 4.740 -0.000 0.000 0.256 261 N C -0.796 174.414 175.510 -0.501 0.000 1.029 261 N CA -0.221 52.291 53.050 -0.898 0.000 0.948 261 N CB 0.928 38.969 38.487 -0.744 0.000 1.102 261 N HN 0.599 nan 8.380 nan 0.000 0.496 262 I N 3.265 123.592 120.570 -0.405 0.000 2.304 262 I HA 0.182 4.352 4.170 -0.000 0.000 0.291 262 I C 0.435 176.487 176.117 -0.108 0.000 1.018 262 I CA -0.369 60.841 61.300 -0.150 0.000 1.260 262 I CB 0.876 38.885 38.000 0.015 0.000 1.390 262 I HN 0.223 nan 8.210 nan 0.000 0.475 263 K N 8.273 128.611 120.400 -0.102 0.000 2.464 263 K HA 0.306 4.626 4.320 -0.000 0.000 0.252 263 K C -1.851 174.673 176.600 -0.127 0.000 1.000 263 K CA -1.613 54.618 56.287 -0.093 0.000 0.951 263 K CB 1.836 34.303 32.500 -0.055 0.000 1.183 263 K HN 0.212 nan 8.250 nan 0.000 0.445 264 P HA -0.219 nan 4.420 nan 0.000 0.216 264 P C 1.196 178.308 177.300 -0.313 0.000 1.154 264 P CA 1.295 64.137 63.100 -0.429 0.000 0.865 264 P CB 0.307 31.339 31.700 -1.114 0.000 0.789 265 G N -0.336 108.342 108.800 -0.204 0.000 2.394 265 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.214 265 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.214 265 G C 1.769 176.646 174.900 -0.038 0.000 1.176 265 G CA 0.532 45.577 45.100 -0.091 0.000 0.786 265 G HN 0.195 nan 8.290 nan 0.000 0.533 266 R N 0.368 120.858 120.500 -0.016 0.000 2.133 266 R HA -0.133 4.207 4.340 -0.000 0.000 0.247 266 R C 2.610 178.907 176.300 -0.004 0.000 1.151 266 R CA 2.111 58.234 56.100 0.039 0.000 0.971 266 R CB -0.335 30.017 30.300 0.086 0.000 0.866 266 R HN 0.439 nan 8.270 nan 0.000 0.447 267 V N -3.693 116.197 119.914 -0.041 0.000 3.406 267 V HA 0.336 4.456 4.120 -0.000 0.000 0.263 267 V C 0.996 177.069 176.094 -0.035 0.000 1.172 267 V CA 0.969 63.243 62.300 -0.043 0.000 1.140 267 V CB 0.418 32.208 31.823 -0.054 0.000 0.784 267 V HN 0.471 nan 8.190 nan 0.000 0.467 268 G N -1.587 107.191 108.800 -0.037 0.000 2.141 268 G HA2 0.383 4.343 3.960 -0.000 0.000 0.164 268 G HA3 0.383 4.343 3.960 -0.000 0.000 0.164 268 G C 0.670 175.561 174.900 -0.014 0.000 1.009 268 G CA -0.173 44.921 45.100 -0.011 0.000 0.677 268 G HN 2.127 nan 8.290 nan 0.000 0.508 269 G N -2.173 106.586 108.800 -0.069 0.000 2.357 269 G HA2 0.409 4.369 3.960 -0.000 0.000 0.289 269 G HA3 0.409 4.369 3.960 -0.000 0.000 0.289 269 G C -0.044 174.738 174.900 -0.196 0.000 1.302 269 G CA 0.254 45.324 45.100 -0.050 0.000 0.936 269 G HN 0.492 nan 8.290 nan 0.000 0.513 270 Y N 0.104 120.419 120.300 0.025 0.000 2.389 270 Y HA 0.286 4.836 4.550 -0.000 0.000 0.292 270 Y C 2.941 178.829 175.900 -0.020 0.000 1.117 270 Y CA 1.039 59.144 58.100 0.008 0.000 1.195 270 Y CB -0.084 38.366 38.460 -0.016 0.000 1.076 270 Y HN 0.368 nan 8.280 nan 0.000 0.548 271 L N -0.161 121.109 121.223 0.078 0.000 1.956 271 L HA -0.286 4.054 4.340 -0.000 0.000 0.216 271 L C 2.430 179.315 176.870 0.025 0.000 1.073 271 L CA 2.090 56.948 54.840 0.031 0.000 0.762 271 L CB -0.741 41.327 42.059 0.014 0.000 0.889 271 L HN 0.169 nan 8.230 nan 0.000 0.433 272 E N 0.330 120.536 120.200 0.010 0.000 2.086 272 E HA -0.259 4.091 4.350 -0.000 0.000 0.200 272 E C 2.066 178.671 176.600 0.008 0.000 1.012 272 E CA 1.786 58.187 56.400 0.003 0.000 0.812 272 E CB -0.246 29.447 29.700 -0.012 0.000 0.743 272 E HN 0.410 nan 8.360 nan 0.000 0.453 273 A N 1.186 124.002 122.820 -0.007 0.000 1.884 273 A HA -0.321 3.999 4.320 -0.000 0.000 0.219 273 A C 2.302 179.941 177.584 0.093 0.000 1.197 273 A CA 2.209 54.257 52.037 0.019 0.000 0.637 273 A CB -0.835 18.149 19.000 -0.027 0.000 0.827 273 A HN 0.291 nan 8.150 nan 0.000 0.450 274 R N -0.316 120.239 120.500 0.092 0.000 2.094 274 R HA -0.199 4.141 4.340 -0.000 0.000 0.239 274 R C 2.428 178.806 176.300 0.129 0.000 1.137 274 R CA 2.009 58.167 56.100 0.097 0.000 0.943 274 R CB -0.410 29.922 30.300 0.054 0.000 0.850 274 R HN 0.614 nan 8.270 nan 0.000 0.433 275 R N -0.172 120.376 120.500 0.081 0.000 2.096 275 R HA -0.145 4.195 4.340 -0.000 0.000 0.240 275 R C 2.338 178.677 176.300 0.065 0.000 1.139 275 R CA 1.929 58.070 56.100 0.069 0.000 0.952 275 R CB -0.564 29.758 30.300 0.037 0.000 0.854 275 R HN 0.157 nan 8.270 nan 0.000 0.436 276 V N 0.815 120.758 119.914 0.048 0.000 2.332 276 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 276 V C 2.507 178.609 176.094 0.015 0.000 1.055 276 V CA 2.127 64.434 62.300 0.012 0.000 1.038 276 V CB -1.017 30.799 31.823 -0.011 0.000 0.651 276 V HN 0.486 nan 8.190 nan 0.000 0.450 277 H N 0.692 119.724 119.070 -0.063 0.000 2.290 277 H HA -0.218 4.338 4.556 -0.000 0.000 0.298 277 H C 2.090 177.381 175.328 -0.063 0.000 1.087 277 H CA 2.359 58.336 56.048 -0.119 0.000 1.291 277 H CB -0.191 29.538 29.762 -0.055 0.000 1.369 277 H HN 0.392 nan 8.280 nan 0.000 0.492 278 D N 0.438 120.889 120.400 0.084 0.000 2.104 278 D HA -0.128 4.512 4.640 -0.000 0.000 0.194 278 D C 2.609 178.893 176.300 -0.026 0.000 0.994 278 D CA 1.157 55.172 54.000 0.025 0.000 0.830 278 D CB -0.435 40.432 40.800 0.112 0.000 0.959 278 D HN 0.222 nan 8.370 nan 0.000 0.452 279 V N 0.477 120.398 119.914 0.012 0.000 2.233 279 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 279 V C 2.733 178.878 176.094 0.087 0.000 1.050 279 V CA 1.539 63.875 62.300 0.061 0.000 1.010 279 V CB -0.496 31.349 31.823 0.037 0.000 0.637 279 V HN 0.315 nan 8.190 nan 0.000 0.444 280 C N -0.059 119.228 119.300 -0.022 0.000 2.401 280 C HA -0.180 4.280 4.460 -0.000 0.000 0.276 280 C C 3.048 178.005 174.990 -0.055 0.000 1.233 280 C CA 0.887 59.874 59.018 -0.051 0.000 1.753 280 C CB -1.452 26.209 27.740 -0.132 0.000 2.029 280 C HN 0.670 nan 8.230 nan 0.000 0.478 281 A N 0.643 123.366 122.820 -0.162 0.000 1.851 281 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 281 A C 2.400 179.930 177.584 -0.089 0.000 1.195 281 A CA 2.299 54.229 52.037 -0.179 0.000 0.622 281 A CB -1.229 17.585 19.000 -0.309 0.000 0.831 281 A HN 0.656 nan 8.150 nan 0.000 0.444 282 A N -1.842 120.932 122.820 -0.076 0.000 2.148 282 A HA -0.211 4.109 4.320 -0.000 0.000 0.222 282 A C 1.685 179.151 177.584 -0.198 0.000 1.161 282 A CA 1.677 53.639 52.037 -0.124 0.000 0.662 282 A CB -0.773 18.144 19.000 -0.138 0.000 0.799 282 A HN 0.726 nan 8.150 nan 0.000 0.466 283 H N -2.024 117.010 119.070 -0.061 0.000 2.674 283 H HA 0.281 4.837 4.556 -0.000 0.000 0.274 283 H C 1.473 176.774 175.328 -0.045 0.000 1.121 283 H CA 0.346 56.366 56.048 -0.047 0.000 1.132 283 H CB 0.189 29.924 29.762 -0.045 0.000 1.606 283 H HN 0.605 nan 8.280 nan 0.000 0.558 284 G N 1.911 110.728 108.800 0.029 0.000 2.203 284 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.263 284 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.263 284 G C 0.082 174.985 174.900 0.006 0.000 1.012 284 G CA 0.018 45.120 45.100 0.004 0.000 0.749 284 G HN 0.202 nan 8.290 nan 0.000 0.512 285 I N 1.627 122.198 120.570 0.003 0.000 2.301 285 I HA 0.300 4.470 4.170 -0.000 0.000 0.292 285 I C -1.754 174.336 176.117 -0.045 0.000 1.046 285 I CA -3.372 57.920 61.300 -0.014 0.000 1.282 285 I CB 0.664 38.649 38.000 -0.025 0.000 1.409 285 I HN -0.108 nan 8.210 nan 0.000 0.484 286 P HA 0.204 nan 4.420 nan 0.000 0.272 286 P C -0.405 176.887 177.300 -0.013 0.000 1.223 286 P CA -0.043 63.051 63.100 -0.010 0.000 0.784 286 P CB 0.910 32.639 31.700 0.049 0.000 0.923 287 V N -0.585 119.289 119.914 -0.067 0.000 3.102 287 V HA 0.933 5.053 4.120 -0.000 0.000 0.312 287 V C -1.677 174.460 176.094 0.072 0.000 1.135 287 V CA -0.898 61.318 62.300 -0.141 0.000 1.022 287 V CB 2.614 34.177 31.823 -0.433 0.000 1.056 287 V HN 0.821 nan 8.190 nan 0.000 0.436 288 W N 0.308 121.594 121.300 -0.023 0.000 3.479 288 W HA 0.579 5.239 4.660 -0.000 0.000 0.304 288 W C -1.252 175.482 176.519 0.357 0.000 1.243 288 W CA -1.236 56.262 57.345 0.255 0.000 1.202 288 W CB 0.755 30.307 29.460 0.153 0.000 1.346 288 W HN 0.892 nan 8.180 nan 0.000 0.539 289 C N 3.011 122.736 119.300 0.709 0.000 2.648 289 C HA 0.580 5.040 4.460 -0.000 0.000 0.419 289 C C 1.224 176.343 174.990 0.215 0.000 1.352 289 C CA 1.337 60.569 59.018 0.356 0.000 1.816 289 C CB -0.779 27.042 27.740 0.135 0.000 2.598 289 C HN 0.766 nan 8.230 nan 0.000 0.598 290 G N 3.780 112.561 108.800 -0.032 0.000 2.389 290 G HA2 0.650 4.610 3.960 -0.000 0.000 0.328 290 G HA3 0.650 4.610 3.960 -0.000 0.000 0.328 290 G C -0.307 174.599 174.900 0.011 0.000 1.133 290 G CA -0.098 44.962 45.100 -0.067 0.000 0.891 290 G HN 1.173 nan 8.290 nan 0.000 0.485 291 G N 0.436 109.257 108.800 0.035 0.000 2.542 291 G HA2 0.485 4.445 3.960 -0.000 0.000 0.311 291 G HA3 0.485 4.445 3.960 -0.000 0.000 0.311 291 G C -0.084 174.778 174.900 -0.064 0.000 1.298 291 G CA -0.645 44.450 45.100 -0.009 0.000 0.973 291 G HN 0.394 nan 8.290 nan 0.000 0.487 292 M N 3.042 122.580 119.600 -0.104 0.000 2.959 292 M HA 0.284 4.764 4.480 -0.000 0.000 0.337 292 M C 0.672 176.855 176.300 -0.195 0.000 1.220 292 M CA -0.659 54.549 55.300 -0.153 0.000 0.893 292 M CB -0.852 31.654 32.600 -0.155 0.000 1.322 292 M HN 0.630 nan 8.290 nan 0.000 0.519 293 I N 0.734 121.105 120.570 -0.331 0.000 6.992 293 I HA -0.338 3.832 4.170 -0.000 0.000 0.126 293 I C -0.371 175.618 176.117 -0.214 0.000 1.809 293 I CA 0.552 61.502 61.300 -0.584 0.000 2.121 293 I CB -1.718 35.768 38.000 -0.857 0.000 3.531 293 I HN 0.388 nan 8.210 nan 0.000 0.194 294 E N 1.212 121.369 120.200 -0.073 0.000 2.280 294 E HA 0.531 4.881 4.350 -0.000 0.000 0.264 294 E C 0.903 177.635 176.600 0.221 0.000 1.064 294 E CA -0.209 56.233 56.400 0.070 0.000 0.900 294 E CB 0.867 30.587 29.700 0.034 0.000 1.123 294 E HN 0.440 nan 8.360 nan 0.000 0.418 295 T N -1.890 112.759 114.554 0.157 0.000 2.715 295 T HA 0.158 4.508 4.350 -0.000 0.000 0.320 295 T C 1.284 176.061 174.700 0.128 0.000 1.046 295 T CA -0.239 61.937 62.100 0.127 0.000 0.983 295 T CB 0.531 69.389 68.868 -0.016 0.000 1.183 295 T HN 0.531 nan 8.240 nan 0.000 0.522 296 G N -0.644 108.238 108.800 0.136 0.000 2.776 296 G HA2 0.112 4.072 3.960 -0.000 0.000 0.209 296 G HA3 0.112 4.072 3.960 -0.000 0.000 0.209 296 G C 1.242 176.229 174.900 0.144 0.000 1.145 296 G CA 0.002 45.249 45.100 0.244 0.000 0.791 296 G HN 0.630 nan 8.290 nan 0.000 0.530 297 L N -0.212 121.028 121.223 0.028 0.000 2.145 297 L HA 0.148 4.488 4.340 -0.000 0.000 0.201 297 L C 2.984 179.839 176.870 -0.024 0.000 1.075 297 L CA 1.137 55.961 54.840 -0.027 0.000 0.773 297 L CB -0.429 41.607 42.059 -0.038 0.000 0.936 297 L HN 0.307 nan 8.230 nan 0.000 0.451 298 G N -0.506 108.306 108.800 0.020 0.000 2.395 298 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.214 298 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.214 298 G C 1.626 176.518 174.900 -0.013 0.000 1.177 298 G CA 0.419 45.552 45.100 0.055 0.000 0.794 298 G HN 0.144 nan 8.290 nan 0.000 0.532 299 R N 0.601 121.057 120.500 -0.073 0.000 2.159 299 R HA -0.216 4.124 4.340 -0.000 0.000 0.249 299 R C 2.811 178.843 176.300 -0.446 0.000 1.136 299 R CA 2.125 58.061 56.100 -0.274 0.000 0.951 299 R CB -0.528 29.583 30.300 -0.316 0.000 0.876 299 R HN 0.316 nan 8.270 nan 0.000 0.440 300 A N 0.267 122.925 122.820 -0.271 0.000 1.837 300 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 300 A C 2.405 179.882 177.584 -0.178 0.000 1.210 300 A CA 2.355 54.327 52.037 -0.107 0.000 0.632 300 A CB -1.528 17.483 19.000 0.019 0.000 0.843 300 A HN 0.594 nan 8.150 nan 0.000 0.448 301 A N -0.113 122.542 122.820 -0.276 0.000 1.915 301 A HA -0.337 3.983 4.320 -0.000 0.000 0.220 301 A C 1.921 179.466 177.584 -0.065 0.000 1.198 301 A CA 2.492 54.337 52.037 -0.320 0.000 0.647 301 A CB -1.028 17.532 19.000 -0.733 0.000 0.825 301 A HN 0.636 nan 8.150 nan 0.000 0.456 302 N N -0.042 118.673 118.700 0.024 0.000 2.018 302 N HA -0.143 4.597 4.740 -0.000 0.000 0.196 302 N C 1.689 177.151 175.510 -0.080 0.000 1.043 302 N CA 1.609 54.699 53.050 0.067 0.000 0.856 302 N CB -1.043 37.459 38.487 0.024 0.000 1.042 302 N HN 0.229 nan 8.380 nan 0.000 0.423 303 V N 1.611 121.434 119.914 -0.151 0.000 2.278 303 V HA -0.315 3.805 4.120 -0.000 0.000 0.251 303 V C 2.328 178.361 176.094 -0.101 0.000 1.062 303 V CA 2.058 64.267 62.300 -0.151 0.000 1.038 303 V CB -1.040 30.677 31.823 -0.175 0.000 0.646 303 V HN 0.393 nan 8.190 nan 0.000 0.447 304 A N -0.557 122.231 122.820 -0.052 0.000 1.841 304 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 304 A C 2.152 179.685 177.584 -0.086 0.000 1.199 304 A CA 2.302 54.331 52.037 -0.013 0.000 0.621 304 A CB -0.849 18.197 19.000 0.077 0.000 0.835 304 A HN 0.429 nan 8.150 nan 0.000 0.445 305 L N -0.113 121.065 121.223 -0.076 0.000 1.997 305 L HA -0.276 4.064 4.340 -0.000 0.000 0.227 305 L C 2.725 179.184 176.870 -0.686 0.000 1.087 305 L CA 2.772 57.490 54.840 -0.202 0.000 0.797 305 L CB -0.927 41.102 42.059 -0.051 0.000 0.902 305 L HN 0.439 nan 8.230 nan 0.000 0.441 306 A N -1.577 120.792 122.820 -0.750 0.000 2.204 306 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 306 A C 2.123 179.389 177.584 -0.530 0.000 1.165 306 A CA 1.728 53.191 52.037 -0.958 0.000 0.671 306 A CB -1.049 17.720 19.000 -0.385 0.000 0.792 306 A HN 0.693 nan 8.150 nan 0.000 0.473 307 S N -1.423 114.095 115.700 -0.304 0.000 2.622 307 S HA 0.444 4.914 4.470 -0.000 0.000 0.236 307 S C 0.132 174.736 174.600 0.007 0.000 0.956 307 S CA -0.538 57.617 58.200 -0.075 0.000 0.971 307 S CB -0.492 62.690 63.200 -0.029 0.000 0.782 307 S HN 0.121 nan 8.310 nan 0.000 0.468 308 L N 1.766 123.009 121.223 0.034 0.000 2.439 308 L HA 0.492 4.832 4.340 -0.000 0.000 0.259 308 L C -1.348 175.771 176.870 0.414 0.000 1.129 308 L CA -2.126 52.825 54.840 0.184 0.000 0.803 308 L CB 0.437 42.479 42.059 -0.027 0.000 1.161 308 L HN -0.034 nan 8.230 nan 0.000 0.462 309 P HA -0.162 nan 4.420 nan 0.000 0.214 309 P C 0.919 178.424 177.300 0.342 0.000 1.163 309 P CA 1.350 64.652 63.100 0.338 0.000 0.889 309 P CB 0.175 32.034 31.700 0.266 0.000 0.790 310 N N -1.654 117.312 118.700 0.444 0.000 2.571 310 N HA -0.042 4.698 4.740 -0.000 0.000 0.189 310 N C -0.270 175.252 175.510 0.021 0.000 1.154 310 N CA 0.040 53.105 53.050 0.025 0.000 0.907 310 N CB -0.843 37.364 38.487 -0.467 0.000 0.977 310 N HN -0.016 nan 8.380 nan 0.000 0.449 311 F N -0.038 120.055 119.950 0.238 0.000 2.605 311 F HA 0.154 4.681 4.527 -0.000 0.000 0.352 311 F C 1.554 177.444 175.800 0.150 0.000 1.236 311 F CA -0.088 58.032 58.000 0.200 0.000 1.267 311 F CB 0.343 39.449 39.000 0.176 0.000 1.632 311 F HN -0.048 nan 8.300 nan 0.000 0.639 312 T N 1.779 116.466 114.554 0.222 0.000 3.067 312 T HA 0.150 4.500 4.350 -0.000 0.000 0.261 312 T C 0.506 175.284 174.700 0.130 0.000 1.110 312 T CA 0.669 62.859 62.100 0.149 0.000 1.113 312 T CB -0.028 68.894 68.868 0.089 0.000 0.917 312 T HN 0.032 nan 8.240 nan 0.000 0.499 313 L N 1.507 122.835 121.223 0.175 0.000 2.322 313 L HA 0.491 4.831 4.340 -0.000 0.000 0.269 313 L C -2.403 174.526 176.870 0.098 0.000 1.012 313 L CA -2.540 52.346 54.840 0.077 0.000 0.815 313 L CB 0.761 42.784 42.059 -0.059 0.000 1.295 313 L HN -0.224 nan 8.230 nan 0.000 0.438 314 P HA 0.177 nan 4.420 nan 0.000 0.271 314 P C -0.144 177.149 177.300 -0.011 0.000 1.220 314 P CA -0.219 62.862 63.100 -0.033 0.000 0.768 314 P CB 0.660 32.310 31.700 -0.082 0.000 0.848 315 G N 1.711 110.588 108.800 0.128 0.000 2.562 315 G HA2 0.119 4.079 3.960 -0.000 0.000 0.275 315 G HA3 0.119 4.079 3.960 -0.000 0.000 0.275 315 G C 0.107 175.108 174.900 0.169 0.000 1.196 315 G CA -0.401 44.874 45.100 0.291 0.000 0.908 315 G HN 0.312 nan 8.290 nan 0.000 0.524 316 D N -0.128 120.436 120.400 0.273 0.000 2.323 316 D HA 0.074 4.714 4.640 -0.000 0.000 0.239 316 D C 1.216 177.541 176.300 0.042 0.000 1.129 316 D CA 0.351 54.435 54.000 0.141 0.000 0.865 316 D CB -0.025 40.918 40.800 0.238 0.000 0.913 316 D HN 0.193 nan 8.370 nan 0.000 0.517 317 T N 0.448 115.023 114.554 0.035 0.000 4.508 317 T HA 0.096 4.446 4.350 -0.000 0.000 0.232 317 T C 0.709 175.407 174.700 -0.003 0.000 1.027 317 T CA -0.094 61.994 62.100 -0.020 0.000 0.999 317 T CB -0.284 68.552 68.868 -0.053 0.000 1.402 317 T HN -0.120 nan 8.240 nan 0.000 1.003 318 S N 1.975 117.662 115.700 -0.022 0.000 2.589 318 S HA 0.496 4.966 4.470 -0.000 0.000 0.265 318 S C 1.084 175.756 174.600 0.119 0.000 1.342 318 S CA -0.867 57.336 58.200 0.005 0.000 1.005 318 S CB 0.455 63.479 63.200 -0.293 0.000 0.909 318 S HN 0.789 nan 8.310 nan 0.000 0.555 319 A N 1.614 124.596 122.820 0.270 0.000 2.406 319 A HA 0.274 4.594 4.320 -0.000 0.000 0.243 319 A C 1.575 179.272 177.584 0.188 0.000 1.082 319 A CA -0.227 51.948 52.037 0.230 0.000 0.786 319 A CB -0.238 18.897 19.000 0.226 0.000 1.029 319 A HN 0.765 nan 8.150 nan 0.000 0.495 320 S N 0.423 116.266 115.700 0.238 0.000 2.378 320 S HA -0.250 4.220 4.470 -0.000 0.000 0.229 320 S C 1.475 176.184 174.600 0.181 0.000 1.052 320 S CA 2.318 60.662 58.200 0.241 0.000 1.084 320 S CB -0.638 62.730 63.200 0.282 0.000 0.950 320 S HN 0.992 nan 8.310 nan 0.000 0.440 321 D N 0.641 121.132 120.400 0.151 0.000 2.403 321 D HA -0.119 4.521 4.640 -0.000 0.000 0.227 321 D C 1.552 177.883 176.300 0.052 0.000 0.995 321 D CA 0.374 54.440 54.000 0.110 0.000 0.928 321 D CB -0.232 40.625 40.800 0.096 0.000 0.887 321 D HN 0.172 nan 8.370 nan 0.000 0.529 322 R N -0.639 119.861 120.500 -0.000 0.000 2.193 322 R HA 0.024 4.364 4.340 -0.000 0.000 0.213 322 R C 0.598 176.596 176.300 -0.503 0.000 1.055 322 R CA 0.718 56.709 56.100 -0.183 0.000 0.995 322 R CB -0.170 29.946 30.300 -0.307 0.000 0.893 322 R HN 0.374 nan 8.270 nan 0.000 0.459 323 F N -2.132 117.679 119.950 -0.231 0.000 2.577 323 F HA 0.238 4.765 4.527 -0.000 0.000 0.282 323 F C 0.097 175.680 175.800 -0.362 0.000 0.957 323 F CA -0.387 57.344 58.000 -0.449 0.000 1.168 323 F CB 0.554 39.004 39.000 -0.917 0.000 0.958 323 F HN -0.212 nan 8.300 nan 0.000 0.702 324 Y N 0.807 121.237 120.300 0.216 0.000 2.360 324 Y HA 0.286 4.836 4.550 -0.000 0.000 0.337 324 Y C 0.873 176.827 175.900 0.089 0.000 1.039 324 Y CA -1.055 57.124 58.100 0.130 0.000 1.109 324 Y CB 1.490 40.012 38.460 0.103 0.000 1.201 324 Y HN -0.201 nan 8.280 nan 0.000 0.458 325 K N 0.580 121.129 120.400 0.250 0.000 2.062 325 K HA 0.035 4.355 4.320 -0.000 0.000 0.205 325 K C -0.063 176.609 176.600 0.120 0.000 1.051 325 K CA 1.036 57.409 56.287 0.143 0.000 0.941 325 K CB 0.129 32.691 32.500 0.104 0.000 0.719 325 K HN 0.486 nan 8.250 nan 0.000 0.440 326 T N 1.531 116.153 114.554 0.113 0.000 2.963 326 T HA 0.117 4.467 4.350 -0.000 0.000 0.328 326 T C -1.062 173.653 174.700 0.025 0.000 1.048 326 T CA -0.755 61.379 62.100 0.057 0.000 1.033 326 T CB 1.302 70.181 68.868 0.020 0.000 1.010 326 T HN 0.019 nan 8.240 nan 0.000 0.469 327 D N 1.795 122.225 120.400 0.050 0.000 2.361 327 D HA 0.121 4.761 4.640 -0.000 0.000 0.239 327 D C 1.450 177.715 176.300 -0.059 0.000 1.200 327 D CA -0.491 53.517 54.000 0.013 0.000 0.915 327 D CB 0.909 41.770 40.800 0.102 0.000 1.170 327 D HN 0.601 nan 8.370 nan 0.000 0.444 328 I N -1.348 119.159 120.570 -0.106 0.000 3.684 328 I HA 0.116 4.286 4.170 -0.000 0.000 0.304 328 I C 0.685 176.712 176.117 -0.151 0.000 1.278 328 I CA -0.056 61.160 61.300 -0.140 0.000 1.272 328 I CB -0.093 37.795 38.000 -0.187 0.000 1.029 328 I HN 0.175 nan 8.210 nan 0.000 0.458 329 T N -2.546 111.942 114.554 -0.109 0.000 2.716 329 T HA 0.445 4.795 4.350 -0.000 0.000 0.286 329 T C -0.448 174.190 174.700 -0.103 0.000 1.052 329 T CA -0.717 61.311 62.100 -0.120 0.000 1.024 329 T CB 1.688 70.491 68.868 -0.109 0.000 1.349 329 T HN 0.038 nan 8.240 nan 0.000 0.525 330 E N 2.493 122.605 120.200 -0.145 0.000 2.415 330 E HA 0.366 4.716 4.350 -0.000 0.000 0.263 330 E C -2.232 174.242 176.600 -0.211 0.000 0.995 330 E CA -1.333 54.963 56.400 -0.173 0.000 0.915 330 E CB 0.321 29.888 29.700 -0.221 0.000 0.951 330 E HN 0.397 nan 8.360 nan 0.000 0.449 331 P HA 0.078 nan 4.420 nan 0.000 0.273 331 P C -0.806 176.404 177.300 -0.149 0.000 1.250 331 P CA 0.041 63.119 63.100 -0.037 0.000 0.793 331 P CB 0.387 32.112 31.700 0.042 0.000 1.011 332 F N -0.246 119.725 119.950 0.035 0.000 2.411 332 F HA 0.323 4.850 4.527 -0.000 0.000 0.352 332 F C 0.109 175.931 175.800 0.038 0.000 1.123 332 F CA -0.436 57.584 58.000 0.033 0.000 1.044 332 F CB 1.243 40.268 39.000 0.042 0.000 1.135 332 F HN -0.112 nan 8.300 nan 0.000 0.461 333 V N 5.543 125.549 119.914 0.153 0.000 2.384 333 V HA 0.245 4.365 4.120 -0.000 0.000 0.287 333 V C -0.273 175.874 176.094 0.089 0.000 1.020 333 V CA -0.945 61.412 62.300 0.096 0.000 0.850 333 V CB 1.663 33.506 31.823 0.034 0.000 0.987 333 V HN 0.463 nan 8.190 nan 0.000 0.436 334 L N 4.616 125.869 121.223 0.049 0.000 2.534 334 L HA 0.171 4.511 4.340 -0.000 0.000 0.271 334 L C 0.699 177.563 176.870 -0.009 0.000 1.178 334 L CA 1.129 55.967 54.840 -0.004 0.000 0.907 334 L CB 1.039 42.998 42.059 -0.167 0.000 1.164 334 L HN 0.702 nan 8.230 nan 0.000 0.482 335 S N 4.159 119.878 115.700 0.031 0.000 2.516 335 S HA 0.551 5.021 4.470 -0.000 0.000 0.268 335 S C 0.405 175.016 174.600 0.018 0.000 1.251 335 S CA -0.069 58.141 58.200 0.015 0.000 1.153 335 S CB -0.099 63.113 63.200 0.019 0.000 1.009 335 S HN 1.147 nan 8.310 nan 0.000 0.479 336 G N 3.041 111.835 108.800 -0.010 0.000 2.367 336 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.295 336 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.295 336 G C 1.169 176.130 174.900 0.103 0.000 1.019 336 G CA 0.287 45.387 45.100 -0.001 0.000 1.224 336 G HN 1.987 nan 8.290 nan 0.000 0.510 337 G N -0.809 108.018 108.800 0.044 0.000 2.205 337 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.269 337 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.269 337 G C 0.469 175.460 174.900 0.152 0.000 0.977 337 G CA 1.455 46.595 45.100 0.067 0.000 0.652 337 G HN 1.255 nan 8.290 nan 0.000 0.539 338 H N -1.400 117.665 119.070 -0.008 0.000 2.676 338 H HA 0.707 5.263 4.556 -0.000 0.000 0.352 338 H C -0.317 175.038 175.328 0.044 0.000 1.193 338 H CA -0.770 55.294 56.048 0.025 0.000 1.243 338 H CB 1.741 31.519 29.762 0.027 0.000 1.751 338 H HN 0.065 nan 8.280 nan 0.000 0.567 339 L N 2.824 124.152 121.223 0.176 0.000 2.491 339 L HA 0.245 4.585 4.340 -0.000 0.000 0.267 339 L C -2.522 174.456 176.870 0.181 0.000 0.971 339 L CA -2.113 52.833 54.840 0.177 0.000 0.857 339 L CB 2.552 44.691 42.059 0.133 0.000 1.226 339 L HN 0.344 nan 8.230 nan 0.000 0.408 340 P HA 0.004 nan 4.420 nan 0.000 0.266 340 P C -0.374 177.037 177.300 0.184 0.000 1.195 340 P CA -0.059 63.132 63.100 0.153 0.000 0.768 340 P CB 0.793 32.556 31.700 0.106 0.000 0.838 341 V N 5.651 125.639 119.914 0.125 0.000 2.498 341 V HA 0.189 4.309 4.120 -0.000 0.000 0.279 341 V C -1.796 174.361 176.094 0.104 0.000 1.048 341 V CA -1.472 60.894 62.300 0.111 0.000 0.967 341 V CB 0.419 32.284 31.823 0.070 0.000 0.988 341 V HN 0.562 nan 8.190 nan 0.000 0.473 342 P HA 0.148 nan 4.420 nan 0.000 0.267 342 P C 0.767 178.099 177.300 0.053 0.000 1.209 342 P CA 0.041 63.189 63.100 0.080 0.000 0.763 342 P CB 0.553 32.309 31.700 0.092 0.000 0.816 343 T N -0.441 114.133 114.554 0.033 0.000 3.051 343 T HA 0.162 4.512 4.350 -0.000 0.000 0.255 343 T C 1.121 175.840 174.700 0.031 0.000 1.085 343 T CA 0.142 62.261 62.100 0.032 0.000 1.109 343 T CB -0.335 68.546 68.868 0.022 0.000 0.921 343 T HN 0.436 nan 8.240 nan 0.000 0.488 344 G N 3.025 111.838 108.800 0.020 0.000 2.572 344 G HA2 0.505 4.465 3.960 -0.000 0.000 0.261 344 G HA3 0.505 4.465 3.960 -0.000 0.000 0.261 344 G C -2.700 172.225 174.900 0.041 0.000 1.197 344 G CA -1.386 43.728 45.100 0.022 0.000 0.870 344 G HN 0.114 nan 8.290 nan 0.000 0.548 345 P HA 0.240 nan 4.420 nan 0.000 0.268 345 P C 1.047 178.401 177.300 0.090 0.000 1.208 345 P CA 1.160 64.307 63.100 0.078 0.000 0.777 345 P CB 0.460 32.202 31.700 0.071 0.000 0.875 346 G N 1.213 110.106 108.800 0.155 0.000 2.575 346 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.267 346 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.267 346 G C 0.856 175.778 174.900 0.036 0.000 1.264 346 G CA 0.152 45.369 45.100 0.195 0.000 0.935 346 G HN 0.483 nan 8.290 nan 0.000 0.568 347 L N 1.624 122.689 121.223 -0.263 0.000 2.351 347 L HA 0.090 4.430 4.340 -0.000 0.000 0.220 347 L C 2.828 179.579 176.870 -0.199 0.000 1.127 347 L CA 1.768 56.294 54.840 -0.524 0.000 0.786 347 L CB -0.749 41.026 42.059 -0.474 0.000 0.914 347 L HN 2.166 nan 8.230 nan 0.000 0.443 348 G N -0.264 108.490 108.800 -0.077 0.000 2.212 348 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.266 348 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.266 348 G C 0.315 175.185 174.900 -0.051 0.000 0.978 348 G CA 0.402 45.482 45.100 -0.032 0.000 0.632 348 G HN 0.437 nan 8.290 nan 0.000 0.537 349 V N -3.067 116.803 119.914 -0.074 0.000 2.876 349 V HA 1.020 5.140 4.120 -0.000 0.000 0.312 349 V C -0.118 175.909 176.094 -0.112 0.000 1.085 349 V CA -0.138 62.108 62.300 -0.090 0.000 0.945 349 V CB 1.880 33.656 31.823 -0.080 0.000 1.017 349 V HN 1.929 nan 8.190 nan 0.000 0.428 350 A N 4.129 126.862 122.820 -0.145 0.000 2.479 350 A HA 1.073 5.393 4.320 -0.000 0.000 0.296 350 A C -3.119 174.283 177.584 -0.304 0.000 1.121 350 A CA -1.926 49.970 52.037 -0.235 0.000 0.743 350 A CB 2.075 21.000 19.000 -0.124 0.000 1.323 350 A HN 0.788 nan 8.150 nan 0.000 0.415 351 P HA 0.420 nan 4.420 nan 0.000 0.286 351 P C -0.810 176.329 177.300 -0.269 0.000 1.269 351 P CA -0.042 62.789 63.100 -0.448 0.000 0.787 351 P CB 0.597 31.838 31.700 -0.764 0.000 0.920 352 I N 6.632 127.091 120.570 -0.186 0.000 2.311 352 I HA 0.085 4.255 4.170 -0.000 0.000 0.297 352 I C -1.042 175.016 176.117 -0.099 0.000 1.131 352 I CA -1.911 59.320 61.300 -0.116 0.000 1.289 352 I CB 0.684 38.627 38.000 -0.095 0.000 1.446 352 I HN 0.301 nan 8.210 nan 0.000 0.524 353 P HA -0.282 nan 4.420 nan 0.000 0.222 353 P C 1.178 178.459 177.300 -0.032 0.000 1.159 353 P CA 1.643 64.721 63.100 -0.036 0.000 0.920 353 P CB 0.219 31.918 31.700 -0.002 0.000 0.793 354 E N -0.470 119.711 120.200 -0.031 0.000 2.086 354 E HA -0.183 4.167 4.350 -0.000 0.000 0.200 354 E C 2.225 178.805 176.600 -0.034 0.000 1.012 354 E CA 1.150 57.534 56.400 -0.026 0.000 0.812 354 E CB -1.095 28.590 29.700 -0.025 0.000 0.743 354 E HN 0.230 nan 8.360 nan 0.000 0.453 355 L N -0.120 121.073 121.223 -0.050 0.000 2.056 355 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 355 L C 2.314 179.142 176.870 -0.070 0.000 1.078 355 L CA 0.488 55.291 54.840 -0.060 0.000 0.749 355 L CB -0.305 41.707 42.059 -0.077 0.000 0.901 355 L HN 0.217 nan 8.230 nan 0.000 0.433 356 L N 0.061 121.236 121.223 -0.081 0.000 1.976 356 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 356 L C 2.135 178.982 176.870 -0.039 0.000 1.071 356 L CA 1.958 56.748 54.840 -0.083 0.000 0.746 356 L CB -0.916 41.079 42.059 -0.107 0.000 0.890 356 L HN 0.231 nan 8.230 nan 0.000 0.432 357 D N -0.359 120.029 120.400 -0.019 0.000 2.190 357 D HA -0.227 4.413 4.640 -0.000 0.000 0.200 357 D C 2.032 178.327 176.300 -0.008 0.000 0.992 357 D CA 1.338 55.338 54.000 -0.001 0.000 0.854 357 D CB 0.022 40.824 40.800 0.004 0.000 0.936 357 D HN 0.563 nan 8.370 nan 0.000 0.462 358 E N -0.023 120.165 120.200 -0.019 0.000 2.077 358 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 358 E C 2.256 178.844 176.600 -0.019 0.000 0.989 358 E CA 1.184 57.573 56.400 -0.018 0.000 0.800 358 E CB 0.236 29.922 29.700 -0.023 0.000 0.746 358 E HN 0.261 nan 8.360 nan 0.000 0.452 359 V N -1.474 118.421 119.914 -0.032 0.000 2.992 359 V HA 0.036 4.156 4.120 -0.000 0.000 0.250 359 V C 1.104 177.186 176.094 -0.019 0.000 1.090 359 V CA 0.157 62.435 62.300 -0.037 0.000 1.101 359 V CB -0.238 31.540 31.823 -0.075 0.000 0.743 359 V HN -0.033 nan 8.190 nan 0.000 0.468 360 T N 2.816 117.366 114.554 -0.007 0.000 2.946 360 T HA 0.204 4.554 4.350 -0.000 0.000 0.311 360 T C 1.301 176.011 174.700 0.018 0.000 1.063 360 T CA 1.336 63.445 62.100 0.015 0.000 1.139 360 T CB 0.911 69.798 68.868 0.032 0.000 0.994 360 T HN 0.801 nan 8.240 nan 0.000 0.547 361 T N -1.476 113.093 114.554 0.025 0.000 3.043 361 T HA 0.645 4.995 4.350 -0.000 0.000 0.272 361 T C 0.198 174.917 174.700 0.031 0.000 0.990 361 T CA 0.134 62.249 62.100 0.026 0.000 0.897 361 T CB 0.354 69.237 68.868 0.026 0.000 1.111 361 T HN 0.887 nan 8.240 nan 0.000 0.529 362 A N 0.215 123.057 122.820 0.037 0.000 2.515 362 A HA 0.742 5.062 4.320 -0.000 0.000 0.292 362 A C -1.791 175.822 177.584 0.049 0.000 1.065 362 A CA -1.004 51.056 52.037 0.039 0.000 0.641 362 A CB 1.089 20.112 19.000 0.038 0.000 1.306 362 A HN 0.175 nan 8.150 nan 0.000 0.441 363 K N -0.894 119.536 120.400 0.049 0.000 2.548 363 K HA 0.764 5.084 4.320 -0.000 0.000 0.282 363 K C -2.146 174.491 176.600 0.062 0.000 1.006 363 K CA -0.668 55.656 56.287 0.063 0.000 0.892 363 K CB 2.564 35.105 32.500 0.068 0.000 1.499 363 K HN 1.264 nan 8.250 nan 0.000 0.433 364 V N 1.385 121.350 119.914 0.085 0.000 2.915 364 V HA 0.216 4.336 4.120 -0.000 0.000 0.273 364 V C -1.827 174.354 176.094 0.146 0.000 1.538 364 V CA -0.748 61.604 62.300 0.086 0.000 0.946 364 V CB 1.475 33.312 31.823 0.024 0.000 1.183 364 V HN 0.799 nan 8.190 nan 0.000 0.446 365 W N 7.161 128.426 121.300 -0.058 0.000 2.316 365 W HA 0.718 5.378 4.660 -0.000 0.000 0.321 365 W C -1.083 175.386 176.519 -0.084 0.000 1.203 365 W CA -0.643 56.662 57.345 -0.067 0.000 1.214 365 W CB 1.681 31.108 29.460 -0.055 0.000 1.169 365 W HN 0.547 nan 8.180 nan 0.000 0.561 366 I N 5.705 125.841 120.570 -0.724 0.000 2.641 366 I HA 0.333 4.503 4.170 -0.000 0.000 0.275 366 I C 0.381 175.968 176.117 -0.884 0.000 1.129 366 I CA -0.133 60.784 61.300 -0.638 0.000 1.094 366 I CB 0.926 38.665 38.000 -0.435 0.000 1.232 366 I HN 0.352 nan 8.210 nan 0.000 0.503 367 G N 2.239 110.642 108.800 -0.662 0.000 3.140 367 G HA2 0.763 4.723 3.960 -0.000 0.000 0.271 367 G HA3 0.763 4.723 3.960 -0.000 0.000 0.271 367 G C -0.792 174.020 174.900 -0.148 0.000 1.370 367 G CA -0.490 44.387 45.100 -0.371 0.000 1.014 367 G HN 0.326 nan 8.290 nan 0.000 0.541 368 S N 0.000 115.667 115.700 -0.055 0.000 2.498 368 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 368 S CA 0.000 58.181 58.200 -0.032 0.000 1.107 368 S CB 0.000 63.184 63.200 -0.027 0.000 0.593 368 S HN 0.000 nan 8.310 nan 0.000 0.517