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 1w5c_1_J DATA FIRST_RESID 1 DATA SEQUENCE MTIAIGRAPA ERGWFDILDD WLKRDRFVFV GWSGILLFPC AYLALGGWLT DATA SEQUENCE GTTFVTSWYT HGLASSYLEG CNFLTVAVST PANSMGHSLL LLWGPEAQGD DATA SEQUENCE FTRWCQLGGL WTFIALHGAF GLIGFMLRQF EIARLVGVRP YNAIAFSAPI DATA SEQUENCE AVFVSVFLIY PLGQSSWFFA PSFGVAAIFR FLLFFQGFHN WTLNPFHMMG DATA SEQUENCE VAGVLGGALL CAIHGATVEN TLFQDGEGAS TFRAFNPTQA EETYSMVTAN DATA SEQUENCE RFWSQIFGIA FSNKRWLHFF MLFVPVTGLW MSAIGVVGLA LNLRSYDFIS DATA SEQUENCE QEIRAAEDPE FETFYTKNLL LNEGIRAWMA PQDQPHENFV FPEEVLPRGN 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 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.602 32.600 0.003 0.000 1.302 2 T N 0.674 115.230 114.554 0.003 0.000 2.855 2 T HA 0.700 5.058 4.350 0.013 0.000 0.290 2 T C 1.082 175.784 174.700 0.003 0.000 0.941 2 T CA 0.443 62.545 62.100 0.003 0.000 1.030 2 T CB -0.682 68.188 68.868 0.003 0.000 0.935 2 T HN 1.877 nan 8.240 nan 0.000 0.564 3 I N 1.114 121.686 120.570 0.003 0.000 3.749 3 I HA 0.725 4.902 4.170 0.013 0.000 0.314 3 I C 1.105 177.224 176.117 0.003 0.000 1.278 3 I CA 0.223 61.525 61.300 0.004 0.000 1.158 3 I CB -1.643 36.360 38.000 0.004 0.000 1.018 3 I HN 1.081 nan 8.210 nan 0.000 0.435 4 A N -0.616 122.205 122.820 0.003 0.000 2.530 4 A HA 0.915 5.243 4.320 0.013 0.000 0.288 4 A C 0.490 178.075 177.584 0.002 0.000 1.172 4 A CA 0.044 52.083 52.037 0.003 0.000 0.733 4 A CB 0.183 19.185 19.000 0.004 0.000 1.320 4 A HN 1.924 nan 8.150 nan 0.000 0.419 5 I N -0.695 119.876 120.570 0.002 0.000 3.530 5 I HA 0.311 4.489 4.170 0.013 0.000 0.285 5 I C 1.431 177.549 176.117 0.002 0.000 1.282 5 I CA 1.544 62.845 61.300 0.002 0.000 1.335 5 I CB -0.786 37.216 38.000 0.002 0.000 1.328 5 I HN 1.400 nan 8.210 nan 0.000 0.603 6 G N 0.985 109.786 108.800 0.001 0.000 2.765 6 G HA2 0.629 4.596 3.960 0.013 0.000 0.218 6 G HA3 0.629 4.596 3.960 0.013 0.000 0.218 6 G C 0.776 175.677 174.900 0.002 0.000 1.271 6 G CA 1.139 46.240 45.100 0.001 0.000 0.865 6 G HN 2.051 nan 8.290 nan 0.000 0.604 7 R N -0.506 119.995 120.500 0.002 0.000 2.538 7 R HA 0.828 5.176 4.340 0.013 0.000 0.292 7 R C 0.403 176.705 176.300 0.004 0.000 1.008 7 R CA 0.132 56.234 56.100 0.003 0.000 0.896 7 R CB 0.301 30.603 30.300 0.003 0.000 1.187 7 R HN 1.726 nan 8.270 nan 0.000 0.440 8 A N 1.634 124.457 122.820 0.005 0.000 2.839 8 A HA 0.324 4.652 4.320 0.013 0.000 0.782 8 A C -0.039 177.549 177.584 0.007 0.000 1.988 8 A CA 0.710 52.751 52.037 0.006 0.000 2.370 8 A CB -1.232 17.772 19.000 0.007 0.000 1.400 8 A HN 1.824 nan 8.150 nan 0.000 0.645 9 P HA 0.695 nan 4.420 nan 0.000 0.274 9 P C 0.321 177.629 177.300 0.014 0.000 1.231 9 P CA 1.662 64.768 63.100 0.011 0.000 0.790 9 P CB 0.976 32.684 31.700 0.013 0.000 0.951 10 A N -0.681 122.149 122.820 0.016 0.000 3.582 10 A HA 0.604 4.932 4.320 0.013 0.000 0.098 10 A C 0.104 177.702 177.584 0.023 0.000 1.298 10 A CA 1.319 53.370 52.037 0.023 0.000 1.188 10 A CB -1.054 17.959 19.000 0.022 0.000 0.854 10 A HN 2.010 nan 8.150 nan 0.000 0.408 11 E N -2.155 118.060 120.200 0.023 0.000 4.655 11 E HA 0.677 5.035 4.350 0.013 0.000 0.379 11 E C 0.299 176.917 176.600 0.030 0.000 1.086 11 E CA 1.161 57.573 56.400 0.020 0.000 0.815 11 E CB -1.446 28.266 29.700 0.019 0.000 1.151 11 E HN 2.782 nan 8.360 nan 0.000 0.598 12 R N 0.332 120.845 120.500 0.021 0.000 3.502 12 R HA 0.109 4.457 4.340 0.013 0.000 0.266 12 R C 2.166 178.484 176.300 0.030 0.000 1.077 12 R CA 2.336 58.451 56.100 0.026 0.000 0.718 12 R CB -2.679 27.643 30.300 0.036 0.000 1.120 12 R HN 2.891 nan 8.270 nan 0.000 0.457 13 G N -2.620 106.195 108.800 0.025 0.000 3.434 13 G HA2 -0.307 3.661 3.960 0.013 0.000 0.343 13 G HA3 -0.307 3.661 3.960 0.013 0.000 0.343 13 G C 1.693 176.609 174.900 0.027 0.000 1.240 13 G CA 3.334 48.448 45.100 0.023 0.000 0.996 13 G HN 2.282 nan 8.290 nan 0.000 0.650 14 W N -0.075 121.240 121.300 0.026 0.000 2.418 14 W HA 0.425 5.093 4.660 0.013 0.000 0.319 14 W C 3.348 179.886 176.519 0.033 0.000 1.183 14 W CA 3.558 60.918 57.345 0.025 0.000 1.327 14 W CB -1.213 28.258 29.460 0.019 0.000 1.163 14 W HN 1.238 nan 8.180 nan 0.000 0.479 15 F N 0.902 120.877 119.950 0.040 0.000 1.978 15 F HA 0.129 4.664 4.527 0.013 0.000 0.296 15 F C 2.317 178.168 175.800 0.085 0.000 1.251 15 F CA 3.405 61.437 58.000 0.052 0.000 1.166 15 F CB -1.608 37.427 39.000 0.058 0.000 0.965 15 F HN 0.549 nan 8.300 nan 0.000 0.498 16 D N -0.065 120.418 120.400 0.139 0.000 2.958 16 D HA -0.289 4.359 4.640 0.013 0.000 0.309 16 D C 2.617 179.033 176.300 0.193 0.000 1.093 16 D CA 3.698 57.846 54.000 0.246 0.000 1.071 16 D CB -1.635 39.289 40.800 0.206 0.000 1.220 16 D HN 1.756 nan 8.370 nan 0.000 0.496 17 I N 0.273 120.925 120.570 0.137 0.000 2.188 17 I HA 0.039 4.217 4.170 0.013 0.000 0.246 17 I C 3.531 179.697 176.117 0.082 0.000 1.033 17 I CA 5.030 66.392 61.300 0.103 0.000 1.307 17 I CB -1.794 36.245 38.000 0.065 0.000 1.005 17 I HN 1.381 nan 8.210 nan 0.000 0.421 18 L N 0.091 121.349 121.223 0.059 0.000 2.007 18 L HA 0.048 4.396 4.340 0.013 0.000 0.205 18 L C 2.739 179.610 176.870 0.001 0.000 1.073 18 L CA 3.468 58.323 54.840 0.026 0.000 0.744 18 L CB -2.267 39.800 42.059 0.015 0.000 0.898 18 L HN 0.833 nan 8.230 nan 0.000 0.435 19 D N -0.110 120.288 120.400 -0.002 0.000 2.172 19 D HA -0.225 4.423 4.640 0.013 0.000 0.196 19 D C 1.943 178.119 176.300 -0.207 0.000 0.999 19 D CA 3.298 57.238 54.000 -0.099 0.000 0.856 19 D CB -1.486 39.266 40.800 -0.079 0.000 0.934 19 D HN 0.865 nan 8.370 nan 0.000 0.453 20 D N -1.467 118.906 120.400 -0.045 0.000 2.108 20 D HA -0.024 4.624 4.640 0.013 0.000 0.190 20 D C 2.372 178.620 176.300 -0.087 0.000 0.995 20 D CA 3.729 57.721 54.000 -0.012 0.000 0.834 20 D CB -1.689 39.261 40.800 0.249 0.000 0.967 20 D HN 1.204 nan 8.370 nan 0.000 0.446 21 W N 0.539 121.823 121.300 -0.026 0.000 2.304 21 W HA 0.111 4.779 4.660 0.013 0.000 0.315 21 W C 3.332 179.805 176.519 -0.077 0.000 1.233 21 W CA 3.431 60.756 57.345 -0.033 0.000 1.261 21 W CB -1.198 28.252 29.460 -0.015 0.000 1.150 21 W HN 0.775 nan 8.180 nan 0.000 0.494 22 L N 0.895 122.054 121.223 -0.107 0.000 1.970 22 L HA 0.075 4.423 4.340 0.013 0.000 0.212 22 L C 2.485 179.257 176.870 -0.163 0.000 1.071 22 L CA 4.851 59.617 54.840 -0.123 0.000 0.751 22 L CB -2.225 39.757 42.059 -0.128 0.000 0.889 22 L HN 0.766 nan 8.230 nan 0.000 0.432 23 K N 0.265 120.507 120.400 -0.264 0.000 2.360 23 K HA 0.183 4.511 4.320 0.013 0.000 0.201 23 K C 1.704 178.175 176.600 -0.214 0.000 1.046 23 K CA 1.544 57.644 56.287 -0.311 0.000 0.940 23 K CB -1.350 30.793 32.500 -0.594 0.000 0.748 23 K HN 1.275 nan 8.250 nan 0.000 0.465 24 R N 0.770 121.177 120.500 -0.155 0.000 2.575 24 R HA 0.540 4.888 4.340 0.013 0.000 0.281 24 R C 0.480 176.753 176.300 -0.045 0.000 1.272 24 R CA 0.427 56.486 56.100 -0.068 0.000 1.417 24 R CB -1.215 29.075 30.300 -0.016 0.000 1.121 24 R HN 0.742 nan 8.270 nan 0.000 0.583 25 D N -0.003 120.369 120.400 -0.047 0.000 2.733 25 D HA 0.678 5.326 4.640 0.013 0.000 0.239 25 D C 1.245 177.533 176.300 -0.019 0.000 1.225 25 D CA 0.939 54.918 54.000 -0.035 0.000 1.168 25 D CB 0.135 40.907 40.800 -0.047 0.000 1.110 25 D HN 0.856 nan 8.370 nan 0.000 0.440 26 R N -2.295 118.193 120.500 -0.020 0.000 2.478 26 R HA 0.564 4.912 4.340 0.013 0.000 0.377 26 R C -0.003 176.292 176.300 -0.009 0.000 0.853 26 R CA 0.556 56.651 56.100 -0.009 0.000 1.113 26 R CB -0.953 29.343 30.300 -0.006 0.000 1.725 26 R HN 1.526 nan 8.270 nan 0.000 0.524 27 F N 0.031 119.971 119.950 -0.017 0.000 2.426 27 F HA 0.768 5.303 4.527 0.013 0.000 0.348 27 F C 1.447 177.239 175.800 -0.014 0.000 1.124 27 F CA -1.713 56.277 58.000 -0.016 0.000 1.008 27 F CB 0.534 39.519 39.000 -0.026 0.000 1.139 27 F HN 1.357 nan 8.300 nan 0.000 0.452 28 V N 1.730 121.645 119.914 0.002 0.000 5.887 28 V HA 0.166 4.294 4.120 0.013 0.000 0.167 28 V C 0.855 176.968 176.094 0.032 0.000 0.718 28 V CA 0.950 63.262 62.300 0.020 0.000 0.553 28 V CB -2.606 29.224 31.823 0.012 0.000 0.464 28 V HN 2.775 nan 8.190 nan 0.000 0.392 29 F N 2.202 122.177 119.950 0.041 0.000 2.157 29 F HA 0.476 5.011 4.527 0.013 0.000 0.430 29 F C 1.019 176.885 175.800 0.109 0.000 0.907 29 F CA 1.256 59.288 58.000 0.052 0.000 0.996 29 F CB -1.098 37.925 39.000 0.038 0.000 0.797 29 F HN 2.342 nan 8.300 nan 0.000 0.500 30 V N 2.579 122.533 119.914 0.066 0.000 4.735 30 V HA 1.028 5.156 4.120 0.013 0.000 0.274 30 V C 1.153 177.299 176.094 0.087 0.000 1.331 30 V CA -0.400 61.965 62.300 0.108 0.000 0.760 30 V CB 0.874 32.680 31.823 -0.028 0.000 1.280 30 V HN 2.791 nan 8.190 nan 0.000 0.416 31 G N -4.165 104.656 108.800 0.036 0.000 2.351 31 G HA2 0.016 3.983 3.960 0.013 0.000 0.353 31 G HA3 0.016 3.983 3.960 0.013 0.000 0.353 31 G C -0.536 174.401 174.900 0.061 0.000 1.358 31 G CA 0.083 45.194 45.100 0.017 0.000 0.995 31 G HN 0.994 nan 8.290 nan 0.000 0.611 32 W N 0.844 122.169 121.300 0.042 0.000 2.354 32 W HA -0.016 4.652 4.660 0.013 0.000 0.315 32 W C 3.133 179.681 176.519 0.047 0.000 1.206 32 W CA 2.869 60.238 57.345 0.039 0.000 1.290 32 W CB -0.824 28.651 29.460 0.024 0.000 1.152 32 W HN 0.929 nan 8.180 nan 0.000 0.489 33 S N 0.281 116.156 115.700 0.293 0.000 2.389 33 S HA -0.246 4.231 4.470 0.013 0.000 0.231 33 S C 2.076 176.753 174.600 0.128 0.000 1.052 33 S CA 1.772 60.067 58.200 0.158 0.000 1.053 33 S CB -1.557 61.698 63.200 0.092 0.000 0.886 33 S HN 0.321 nan 8.310 nan 0.000 0.456 34 G N 1.301 110.196 108.800 0.157 0.000 2.443 34 G HA2 0.036 4.004 3.960 0.013 0.000 0.219 34 G HA3 0.036 4.004 3.960 0.013 0.000 0.219 34 G C 1.387 176.470 174.900 0.306 0.000 1.131 34 G CA 0.684 45.926 45.100 0.236 0.000 0.775 34 G HN 0.580 nan 8.290 nan 0.000 0.547 35 I N -0.049 120.652 120.570 0.219 0.000 2.530 35 I HA -0.115 4.063 4.170 0.013 0.000 0.257 35 I C 1.905 178.116 176.117 0.158 0.000 1.179 35 I CA 1.031 62.434 61.300 0.172 0.000 1.440 35 I CB 0.049 38.144 38.000 0.159 0.000 1.087 35 I HN 0.187 nan 8.210 nan 0.000 0.440 36 L N -1.247 120.066 121.223 0.150 0.000 2.966 36 L HA 0.136 4.483 4.340 0.013 0.000 0.262 36 L C 1.711 178.642 176.870 0.102 0.000 1.165 36 L CA -0.103 54.804 54.840 0.113 0.000 0.978 36 L CB 0.468 42.585 42.059 0.098 0.000 1.337 36 L HN 0.174 nan 8.230 nan 0.000 0.563 37 L N -0.456 120.811 121.223 0.074 0.000 2.117 37 L HA 0.029 4.377 4.340 0.013 0.000 0.200 37 L C 2.372 179.226 176.870 -0.027 0.000 1.110 37 L CA 1.213 56.038 54.840 -0.026 0.000 0.774 37 L CB -0.197 41.744 42.059 -0.197 0.000 0.934 37 L HN 0.006 nan 8.230 nan 0.000 0.456 38 F N 0.619 120.613 119.950 0.073 0.000 2.037 38 F HA -0.296 4.239 4.527 0.013 0.000 0.296 38 F C -0.138 175.709 175.800 0.079 0.000 1.132 38 F CA 2.453 60.491 58.000 0.064 0.000 1.211 38 F CB -2.341 36.668 39.000 0.016 0.000 0.951 38 F HN 0.182 nan 8.300 nan 0.000 0.503 39 P HA -0.246 nan 4.420 nan 0.000 0.216 39 P C 1.658 179.045 177.300 0.144 0.000 1.167 39 P CA 2.432 65.636 63.100 0.174 0.000 0.933 39 P CB -0.323 31.446 31.700 0.116 0.000 0.793 40 C N -0.654 118.707 119.300 0.101 0.000 3.038 40 C HA -0.188 4.280 4.460 0.013 0.000 0.289 40 C C 2.710 177.729 174.990 0.048 0.000 1.190 40 C CA 1.613 60.668 59.018 0.062 0.000 1.807 40 C CB -1.910 25.897 27.740 0.112 0.000 1.951 40 C HN 0.340 nan 8.230 nan 0.000 0.414 41 A N -0.248 122.595 122.820 0.039 0.000 1.865 41 A HA -0.389 3.939 4.320 0.013 0.000 0.244 41 A C 1.980 179.619 177.584 0.093 0.000 1.984 41 A CA 2.992 55.043 52.037 0.024 0.000 0.785 41 A CB -1.686 17.311 19.000 -0.005 0.000 0.849 41 A HN 0.794 nan 8.150 nan 0.000 0.501 42 Y N -0.326 120.006 120.300 0.053 0.000 2.049 42 Y HA -0.144 4.414 4.550 0.013 0.000 0.277 42 Y C 2.223 178.162 175.900 0.065 0.000 1.143 42 Y CA 2.185 60.334 58.100 0.082 0.000 1.115 42 Y CB -0.763 37.772 38.460 0.124 0.000 0.975 42 Y HN 0.285 nan 8.280 nan 0.000 0.487 43 L N 0.620 121.947 121.223 0.174 0.000 2.064 43 L HA -0.294 4.054 4.340 0.013 0.000 0.216 43 L C 2.294 179.179 176.870 0.024 0.000 1.077 43 L CA 2.494 57.366 54.840 0.052 0.000 0.766 43 L CB -1.107 40.897 42.059 -0.091 0.000 0.890 43 L HN 0.398 nan 8.230 nan 0.000 0.435 44 A N -1.916 120.864 122.820 -0.067 0.000 2.132 44 A HA 0.029 4.357 4.320 0.013 0.000 0.213 44 A C 2.212 179.781 177.584 -0.025 0.000 1.154 44 A CA 0.913 52.916 52.037 -0.056 0.000 0.753 44 A CB -0.501 18.427 19.000 -0.121 0.000 0.826 44 A HN 0.486 nan 8.150 nan 0.000 0.469 45 L N -0.785 120.415 121.223 -0.038 0.000 2.095 45 L HA 0.047 4.395 4.340 0.013 0.000 0.204 45 L C 2.432 179.320 176.870 0.030 0.000 1.080 45 L CA 1.163 56.000 54.840 -0.006 0.000 0.759 45 L CB -0.507 41.548 42.059 -0.006 0.000 0.914 45 L HN 0.413 nan 8.230 nan 0.000 0.439 46 G N -0.513 108.217 108.800 -0.116 0.000 2.604 46 G HA2 -0.259 3.709 3.960 0.013 0.000 0.216 46 G HA3 -0.259 3.709 3.960 0.013 0.000 0.216 46 G C 1.473 176.366 174.900 -0.011 0.000 1.265 46 G CA 0.757 45.773 45.100 -0.141 0.000 0.804 46 G HN 0.515 nan 8.290 nan 0.000 0.579 47 G N 0.193 109.025 108.800 0.055 0.000 2.805 47 G HA2 -0.415 3.553 3.960 0.013 0.000 0.227 47 G HA3 -0.415 3.553 3.960 0.013 0.000 0.227 47 G C 1.617 176.527 174.900 0.017 0.000 1.143 47 G CA 1.582 46.705 45.100 0.039 0.000 0.759 47 G HN 0.545 nan 8.290 nan 0.000 0.634 48 W N 1.275 122.502 121.300 -0.122 0.000 2.358 48 W HA 0.023 4.691 4.660 0.014 0.000 0.303 48 W C 2.453 178.940 176.519 -0.053 0.000 1.208 48 W CA 1.665 58.932 57.345 -0.130 0.000 1.274 48 W CB -0.480 28.884 29.460 -0.161 0.000 1.138 48 W HN 0.196 nan 8.180 nan 0.000 0.515 49 L N -0.035 121.084 121.223 -0.173 0.000 2.046 49 L HA -0.247 4.101 4.340 0.013 0.000 0.208 49 L C 2.510 179.212 176.870 -0.281 0.000 1.077 49 L CA 1.914 56.524 54.840 -0.384 0.000 0.747 49 L CB -1.528 40.467 42.059 -0.106 0.000 0.896 49 L HN -0.098 nan 8.230 nan 0.000 0.432 50 T N -0.171 114.311 114.554 -0.120 0.000 2.622 50 T HA -0.186 4.171 4.350 0.013 0.000 0.266 50 T C 1.889 176.596 174.700 0.012 0.000 1.047 50 T CA 1.671 63.781 62.100 0.017 0.000 1.159 50 T CB -0.827 68.024 68.868 -0.028 0.000 0.863 50 T HN 0.568 nan 8.240 nan 0.000 0.422 51 G N 1.061 109.798 108.800 -0.104 0.000 2.446 51 G HA2 -0.244 3.723 3.960 0.013 0.000 0.217 51 G HA3 -0.244 3.723 3.960 0.013 0.000 0.217 51 G C 1.729 176.540 174.900 -0.147 0.000 1.168 51 G CA 1.619 46.663 45.100 -0.094 0.000 0.771 51 G HN 0.481 nan 8.290 nan 0.000 0.551 52 T N 0.741 115.076 114.554 -0.365 0.000 2.653 52 T HA -0.266 4.092 4.350 0.013 0.000 0.267 52 T C 2.572 177.257 174.700 -0.026 0.000 1.037 52 T CA 2.726 64.612 62.100 -0.357 0.000 1.159 52 T CB -0.649 67.713 68.868 -0.845 0.000 0.859 52 T HN 0.631 nan 8.240 nan 0.000 0.449 53 T N -2.078 112.346 114.554 -0.216 0.000 2.990 53 T HA 0.301 4.659 4.350 0.013 0.000 0.249 53 T C 1.489 175.914 174.700 -0.459 0.000 1.039 53 T CA -0.176 61.717 62.100 -0.346 0.000 1.036 53 T CB -0.165 68.210 68.868 -0.821 0.000 0.994 53 T HN 0.360 nan 8.240 nan 0.000 0.489 54 F N 1.009 120.910 119.950 -0.082 0.000 2.637 54 F HA 0.500 5.035 4.527 0.013 0.000 0.284 54 F C 0.745 176.529 175.800 -0.027 0.000 1.105 54 F CA -0.414 57.558 58.000 -0.046 0.000 1.356 54 F CB 0.787 39.757 39.000 -0.049 0.000 1.096 54 F HN -0.061 nan 8.300 nan 0.000 0.616 55 V N 0.048 120.037 119.914 0.125 0.000 2.612 55 V HA 0.358 4.486 4.120 0.013 0.000 0.301 55 V C 0.253 176.375 176.094 0.048 0.000 1.046 55 V CA -0.607 61.733 62.300 0.067 0.000 0.946 55 V CB 1.763 33.590 31.823 0.006 0.000 1.003 55 V HN 0.032 nan 8.190 nan 0.000 0.459 56 T N 1.594 116.195 114.554 0.078 0.000 2.923 56 T HA 0.401 4.759 4.350 0.013 0.000 0.281 56 T C 0.870 175.656 174.700 0.144 0.000 0.995 56 T CA 0.155 62.326 62.100 0.117 0.000 0.985 56 T CB 1.679 70.654 68.868 0.179 0.000 1.114 56 T HN 0.708 nan 8.240 nan 0.000 0.548 57 S N 0.383 116.193 115.700 0.183 0.000 2.748 57 S HA 0.121 4.599 4.470 0.013 0.000 0.241 57 S C 1.446 176.221 174.600 0.293 0.000 1.064 57 S CA -0.202 58.096 58.200 0.164 0.000 0.892 57 S CB -0.704 62.514 63.200 0.031 0.000 0.810 57 S HN 0.870 nan 8.310 nan 0.000 0.555 58 W N 1.661 122.986 121.300 0.041 0.000 2.244 58 W HA -0.499 4.169 4.660 0.013 0.000 0.352 58 W C 1.495 177.940 176.519 -0.124 0.000 1.753 58 W CA 2.549 59.844 57.345 -0.085 0.000 1.883 58 W CB -1.193 28.131 29.460 -0.228 0.000 0.927 58 W HN 0.435 nan 8.180 nan 0.000 0.467 59 Y N -0.081 120.309 120.300 0.149 0.000 2.465 59 Y HA -0.155 4.403 4.550 0.013 0.000 0.289 59 Y C 2.731 178.627 175.900 -0.006 0.000 1.150 59 Y CA 2.072 60.182 58.100 0.018 0.000 1.293 59 Y CB -1.454 37.058 38.460 0.087 0.000 0.977 59 Y HN 0.071 nan 8.280 nan 0.000 0.556 60 T N -2.537 112.133 114.554 0.192 0.000 3.034 60 T HA 0.048 4.406 4.350 0.013 0.000 0.248 60 T C 1.071 175.926 174.700 0.259 0.000 1.040 60 T CA 1.044 63.274 62.100 0.217 0.000 1.107 60 T CB 0.091 69.144 68.868 0.309 0.000 0.932 60 T HN 0.321 nan 8.240 nan 0.000 0.474 61 H N -0.474 118.605 119.070 0.015 0.000 2.074 61 H HA 0.554 5.117 4.556 0.013 0.000 0.198 61 H C 1.316 176.544 175.328 -0.165 0.000 0.938 61 H CA 0.533 56.586 56.048 0.008 0.000 1.125 61 H CB 0.547 30.324 29.762 0.024 0.000 1.195 61 H HN 0.307 nan 8.280 nan 0.000 0.430 62 G N 0.132 108.910 108.800 -0.036 0.000 2.192 62 G HA2 0.031 3.999 3.960 0.013 0.000 0.152 62 G HA3 0.031 3.999 3.960 0.013 0.000 0.152 62 G C -1.234 173.682 174.900 0.027 0.000 1.057 62 G CA -0.436 44.416 45.100 -0.415 0.000 0.748 62 G HN 0.110 nan 8.290 nan 0.000 0.488 63 L N 0.545 121.888 121.223 0.200 0.000 2.354 63 L HA 0.925 5.273 4.340 0.013 0.000 0.264 63 L C 0.613 177.621 176.870 0.231 0.000 1.008 63 L CA -0.818 54.150 54.840 0.213 0.000 0.819 63 L CB 1.779 43.901 42.059 0.106 0.000 1.339 63 L HN 0.438 nan 8.230 nan 0.000 0.420 64 A N 0.437 123.363 122.820 0.177 0.000 2.366 64 A HA 0.567 4.895 4.320 0.013 0.000 0.272 64 A C 0.520 178.136 177.584 0.054 0.000 1.135 64 A CA 0.286 52.387 52.037 0.106 0.000 0.804 64 A CB 0.259 19.290 19.000 0.052 0.000 1.064 64 A HN 0.838 nan 8.150 nan 0.000 0.499 65 S N 0.479 116.201 115.700 0.037 0.000 2.846 65 S HA 0.387 4.865 4.470 0.013 0.000 0.249 65 S C 0.242 174.834 174.600 -0.013 0.000 1.028 65 S CA 0.321 58.524 58.200 0.004 0.000 1.043 65 S CB -0.623 62.576 63.200 -0.002 0.000 0.990 65 S HN 1.541 nan 8.310 nan 0.000 0.564 66 S N -0.299 115.396 115.700 -0.009 0.000 2.627 66 S HA 0.651 5.128 4.470 0.013 0.000 0.283 66 S C 0.183 174.795 174.600 0.019 0.000 1.127 66 S CA -0.670 57.538 58.200 0.013 0.000 0.863 66 S CB 0.366 63.568 63.200 0.005 0.000 1.121 66 S HN 0.010 nan 8.310 nan 0.000 0.479 67 Y N 0.470 120.673 120.300 -0.162 0.000 2.165 67 Y HA -0.047 4.511 4.550 0.013 0.000 0.286 67 Y C 2.335 178.148 175.900 -0.145 0.000 1.155 67 Y CA 1.479 59.493 58.100 -0.143 0.000 1.164 67 Y CB -0.643 37.707 38.460 -0.183 0.000 0.978 67 Y HN 0.631 nan 8.280 nan 0.000 0.513 68 L N 0.461 121.674 121.223 -0.017 0.000 2.127 68 L HA -0.203 4.145 4.340 0.013 0.000 0.211 68 L C 1.947 178.796 176.870 -0.035 0.000 1.089 68 L CA 1.890 56.686 54.840 -0.074 0.000 0.757 68 L CB -0.608 41.375 42.059 -0.127 0.000 0.899 68 L HN 0.229 nan 8.230 nan 0.000 0.434 69 E N -1.301 118.884 120.200 -0.025 0.000 2.371 69 E HA 0.094 4.452 4.350 0.013 0.000 0.194 69 E C 1.198 177.777 176.600 -0.034 0.000 1.012 69 E CA 0.577 56.959 56.400 -0.030 0.000 0.860 69 E CB 0.040 29.728 29.700 -0.019 0.000 0.811 69 E HN 0.664 nan 8.360 nan 0.000 0.502 70 G N -0.083 108.698 108.800 -0.032 0.000 2.183 70 G HA2 -0.187 3.781 3.960 0.013 0.000 0.168 70 G HA3 -0.187 3.781 3.960 0.013 0.000 0.168 70 G C 0.283 175.148 174.900 -0.059 0.000 1.008 70 G CA -0.180 44.898 45.100 -0.036 0.000 0.677 70 G HN 0.239 nan 8.290 nan 0.000 0.498 71 C N 0.735 119.978 119.300 -0.096 0.000 2.574 71 C HA 0.785 5.253 4.460 0.013 0.000 0.335 71 C C 0.519 175.343 174.990 -0.278 0.000 1.493 71 C CA 0.438 59.367 59.018 -0.148 0.000 2.217 71 C CB 0.736 28.387 27.740 -0.148 0.000 2.056 71 C HN 0.921 nan 8.230 nan 0.000 0.607 72 N N -1.141 117.393 118.700 -0.277 0.000 2.503 72 N HA 0.356 5.104 4.740 0.013 0.000 0.287 72 N C -0.079 175.347 175.510 -0.141 0.000 1.096 72 N CA -0.673 52.201 53.050 -0.293 0.000 0.936 72 N CB 0.369 38.798 38.487 -0.097 0.000 1.570 72 N HN 0.594 nan 8.380 nan 0.000 0.504 73 F N 1.606 121.335 119.950 -0.368 0.000 2.138 73 F HA -0.523 4.011 4.527 0.012 0.000 0.218 73 F C 0.918 176.735 175.800 0.029 0.000 1.197 73 F CA 2.807 60.766 58.000 -0.069 0.000 1.861 73 F CB -0.697 38.333 39.000 0.050 0.000 0.630 73 F HN 0.555 nan 8.300 nan 0.000 0.360 74 L N -0.730 120.664 121.223 0.284 0.000 1.961 74 L HA -0.232 4.116 4.340 0.013 0.000 0.210 74 L C 2.596 179.512 176.870 0.077 0.000 1.072 74 L CA 2.435 57.399 54.840 0.206 0.000 0.749 74 L CB -1.431 40.792 42.059 0.274 0.000 0.889 74 L HN 0.614 nan 8.230 nan 0.000 0.432 75 T N -2.415 112.166 114.554 0.045 0.000 2.929 75 T HA -0.017 4.341 4.350 0.013 0.000 0.271 75 T C 0.845 175.529 174.700 -0.027 0.000 1.085 75 T CA 0.101 62.211 62.100 0.018 0.000 1.125 75 T CB -0.852 68.016 68.868 -0.001 0.000 0.874 75 T HN 0.011 nan 8.240 nan 0.000 0.494 76 V N 2.005 121.861 119.914 -0.096 0.000 3.051 76 V HA 0.635 4.763 4.120 0.013 0.000 0.306 76 V C 0.558 176.639 176.094 -0.022 0.000 1.083 76 V CA -0.070 62.160 62.300 -0.117 0.000 1.104 76 V CB 0.539 32.211 31.823 -0.251 0.000 1.027 76 V HN 0.888 nan 8.190 nan 0.000 0.483 77 A N 2.700 125.519 122.820 -0.001 0.000 2.567 77 A HA 0.634 4.962 4.320 0.013 0.000 0.291 77 A C -1.305 176.323 177.584 0.074 0.000 1.048 77 A CA -0.468 51.621 52.037 0.087 0.000 0.661 77 A CB 1.376 20.423 19.000 0.078 0.000 1.288 77 A HN 0.611 nan 8.150 nan 0.000 0.424 78 V N 2.718 122.752 119.914 0.200 0.000 2.217 78 V HA 0.307 4.435 4.120 0.013 0.000 0.264 78 V C 0.684 176.924 176.094 0.242 0.000 1.107 78 V CA -0.161 62.248 62.300 0.182 0.000 0.913 78 V CB 0.021 31.994 31.823 0.250 0.000 1.153 78 V HN 0.869 nan 8.190 nan 0.000 0.469 79 S N 2.854 118.591 115.700 0.061 0.000 2.564 79 S HA 0.100 4.578 4.470 0.013 0.000 0.263 79 S C 0.892 175.505 174.600 0.022 0.000 1.378 79 S CA 0.040 58.185 58.200 -0.093 0.000 0.996 79 S CB 0.330 63.306 63.200 -0.373 0.000 0.881 79 S HN 0.873 nan 8.310 nan 0.000 0.555 80 T N 0.234 114.713 114.554 -0.126 0.000 2.899 80 T HA 0.471 4.829 4.350 0.013 0.000 0.284 80 T C -2.769 171.939 174.700 0.012 0.000 1.004 80 T CA -1.985 59.949 62.100 -0.277 0.000 1.043 80 T CB 0.650 69.275 68.868 -0.406 0.000 1.013 80 T HN 0.188 nan 8.240 nan 0.000 0.518 81 P HA 0.310 nan 4.420 nan 0.000 0.271 81 P C -0.456 176.937 177.300 0.154 0.000 1.233 81 P CA -0.295 62.833 63.100 0.047 0.000 0.789 81 P CB 0.171 31.891 31.700 0.034 0.000 0.951 82 A N 1.701 124.550 122.820 0.049 0.000 2.386 82 A HA 0.048 4.376 4.320 0.013 0.000 0.248 82 A C 1.554 178.913 177.584 -0.376 0.000 1.082 82 A CA -0.165 51.788 52.037 -0.139 0.000 0.789 82 A CB -0.376 18.551 19.000 -0.122 0.000 1.025 82 A HN 0.636 nan 8.150 nan 0.000 0.490 83 N N 0.931 119.112 118.700 -0.865 0.000 2.309 83 N HA -0.137 4.611 4.740 0.013 0.000 0.182 83 N C 1.744 177.057 175.510 -0.327 0.000 1.018 83 N CA 1.549 54.199 53.050 -0.667 0.000 0.876 83 N CB -0.092 38.015 38.487 -0.634 0.000 0.972 83 N HN 0.639 nan 8.380 nan 0.000 0.434 84 S N 0.293 115.799 115.700 -0.324 0.000 2.392 84 S HA -0.093 4.385 4.470 0.013 0.000 0.232 84 S C 1.685 176.204 174.600 -0.136 0.000 1.041 84 S CA 1.209 59.273 58.200 -0.226 0.000 1.026 84 S CB -0.116 62.973 63.200 -0.186 0.000 0.845 84 S HN 0.431 nan 8.310 nan 0.000 0.465 85 M N 0.676 120.210 119.600 -0.110 0.000 2.494 85 M HA 0.227 4.715 4.480 0.013 0.000 0.232 85 M C 1.495 177.774 176.300 -0.035 0.000 1.137 85 M CA 0.336 55.616 55.300 -0.034 0.000 1.012 85 M CB -0.051 32.562 32.600 0.021 0.000 1.567 85 M HN 0.468 nan 8.290 nan 0.000 0.486 86 G N 1.390 110.110 108.800 -0.133 0.000 2.702 86 G HA2 -0.314 3.654 3.960 0.013 0.000 0.342 86 G HA3 -0.314 3.654 3.960 0.013 0.000 0.342 86 G C 0.282 174.953 174.900 -0.382 0.000 1.258 86 G CA 0.556 45.498 45.100 -0.265 0.000 0.990 86 G HN 0.650 nan 8.290 nan 0.000 0.548 87 H N 1.398 120.308 119.070 -0.268 0.000 2.524 87 H HA 0.438 5.001 4.556 0.013 0.000 0.297 87 H C 1.002 176.263 175.328 -0.112 0.000 1.115 87 H CA 0.547 56.193 56.048 -0.669 0.000 1.027 87 H CB -0.339 29.077 29.762 -0.577 0.000 1.591 87 H HN 0.571 nan 8.280 nan 0.000 0.543 88 S N -0.585 115.413 115.700 0.497 0.000 2.499 88 S HA 0.273 4.751 4.470 0.013 0.000 0.279 88 S C 1.690 176.703 174.600 0.689 0.000 1.219 88 S CA -0.415 58.105 58.200 0.533 0.000 1.062 88 S CB 1.319 64.701 63.200 0.303 0.000 0.978 88 S HN 0.281 nan 8.310 nan 0.000 0.489 89 L N 2.890 124.410 121.223 0.495 0.000 2.651 89 L HA 0.212 4.560 4.340 0.013 0.000 0.236 89 L C 1.482 178.450 176.870 0.164 0.000 1.173 89 L CA 1.185 56.174 54.840 0.248 0.000 0.843 89 L CB -2.076 40.103 42.059 0.200 0.000 0.964 89 L HN 1.074 nan 8.230 nan 0.000 0.454 90 L N -0.231 121.127 121.223 0.225 0.000 4.035 90 L HA -0.197 4.151 4.340 0.013 0.000 0.490 90 L C 0.538 177.588 176.870 0.299 0.000 1.163 90 L CA 0.180 55.153 54.840 0.222 0.000 0.680 90 L CB -1.293 40.858 42.059 0.153 0.000 1.409 90 L HN 0.520 nan 8.230 nan 0.000 0.786 91 L N 1.436 122.690 121.223 0.052 0.000 2.439 91 L HA 0.033 4.381 4.340 0.013 0.000 0.269 91 L C 1.609 178.143 176.870 -0.561 0.000 1.179 91 L CA -0.630 53.963 54.840 -0.413 0.000 0.828 91 L CB 0.262 41.821 42.059 -0.833 0.000 1.106 91 L HN 0.386 nan 8.230 nan 0.000 0.467 92 L N 2.458 122.944 121.223 -1.227 0.000 2.740 92 L HA -0.133 4.215 4.340 0.013 0.000 0.242 92 L C 1.077 177.591 176.870 -0.594 0.000 1.175 92 L CA 1.520 55.539 54.840 -1.368 0.000 0.859 92 L CB -0.620 40.594 42.059 -1.409 0.000 0.992 92 L HN 0.599 nan 8.230 nan 0.000 0.454 93 W N -2.410 118.861 121.300 -0.047 0.000 2.968 93 W HA 0.442 5.110 4.660 0.014 0.000 0.253 93 W C 1.821 178.375 176.519 0.059 0.000 1.150 93 W CA 0.181 57.529 57.345 0.004 0.000 1.463 93 W CB -1.420 28.042 29.460 0.003 0.000 0.906 93 W HN 0.115 nan 8.180 nan 0.000 0.650 94 G N 2.988 111.913 108.800 0.209 0.000 2.844 94 G HA2 -0.201 3.767 3.960 0.013 0.000 0.211 94 G HA3 -0.201 3.767 3.960 0.013 0.000 0.211 94 G C -1.611 173.379 174.900 0.149 0.000 1.368 94 G CA 0.979 46.185 45.100 0.178 0.000 0.815 94 G HN -0.062 nan 8.290 nan 0.000 0.649 95 P HA 0.236 nan 4.420 nan 0.000 0.244 95 P C -0.787 176.587 177.300 0.125 0.000 1.723 95 P CA -0.001 63.172 63.100 0.120 0.000 1.110 95 P CB -0.332 31.441 31.700 0.122 0.000 1.972 96 E N -0.099 120.172 120.200 0.117 0.000 7.519 96 E HA -0.234 4.124 4.350 0.013 0.000 0.462 96 E C 0.565 177.240 176.600 0.126 0.000 0.413 96 E CA 1.012 57.479 56.400 0.112 0.000 0.763 96 E CB -0.852 28.899 29.700 0.086 0.000 0.955 96 E HN 0.356 nan 8.360 nan 0.000 0.355 97 A N 2.993 125.893 122.820 0.134 0.000 2.686 97 A HA 0.306 4.634 4.320 0.013 0.000 0.221 97 A C 2.146 179.799 177.584 0.115 0.000 2.249 97 A CA 1.770 53.893 52.037 0.143 0.000 1.005 97 A CB -1.270 17.862 19.000 0.219 0.000 1.391 97 A HN 0.778 nan 8.150 nan 0.000 0.536 98 Q N -0.844 119.014 119.800 0.097 0.000 2.124 98 Q HA -0.219 4.129 4.340 0.013 0.000 0.215 98 Q C 2.505 178.550 176.000 0.075 0.000 1.015 98 Q CA 3.753 59.600 55.803 0.072 0.000 0.890 98 Q CB -2.217 26.549 28.738 0.047 0.000 0.966 98 Q HN 1.359 nan 8.270 nan 0.000 0.412 99 G N 0.572 109.414 108.800 0.070 0.000 2.764 99 G HA2 0.032 4.000 3.960 0.013 0.000 0.219 99 G HA3 0.032 4.000 3.960 0.013 0.000 0.219 99 G C 0.849 175.796 174.900 0.079 0.000 1.259 99 G CA 1.809 46.947 45.100 0.064 0.000 0.793 99 G HN 1.382 nan 8.290 nan 0.000 0.633 100 D N -1.147 119.310 120.400 0.095 0.000 2.549 100 D HA 0.540 5.188 4.640 0.013 0.000 0.251 100 D C 0.358 176.760 176.300 0.171 0.000 1.153 100 D CA -0.227 53.842 54.000 0.116 0.000 0.861 100 D CB 1.138 41.977 40.800 0.065 0.000 1.207 100 D HN 0.221 nan 8.370 nan 0.000 0.543 101 F N 1.449 121.437 119.950 0.064 0.000 2.187 101 F HA -0.057 4.477 4.527 0.013 0.000 0.295 101 F C 2.713 178.611 175.800 0.163 0.000 1.091 101 F CA 2.448 60.503 58.000 0.092 0.000 1.308 101 F CB -0.278 38.741 39.000 0.033 0.000 1.030 101 F HN 0.420 nan 8.300 nan 0.000 0.487 102 T N -0.307 114.313 114.554 0.110 0.000 2.597 102 T HA -0.320 4.038 4.350 0.013 0.000 0.267 102 T C 2.093 176.722 174.700 -0.119 0.000 1.053 102 T CA 1.966 64.046 62.100 -0.032 0.000 1.165 102 T CB -0.928 67.982 68.868 0.070 0.000 0.863 102 T HN 0.403 nan 8.240 nan 0.000 0.427 103 R N -0.643 119.836 120.500 -0.036 0.000 2.120 103 R HA -0.041 4.307 4.340 0.013 0.000 0.234 103 R C 2.226 178.516 176.300 -0.017 0.000 1.123 103 R CA 1.386 57.455 56.100 -0.052 0.000 0.975 103 R CB -0.543 29.747 30.300 -0.016 0.000 0.866 103 R HN 0.569 nan 8.270 nan 0.000 0.446 104 W N 1.133 122.310 121.300 -0.206 0.000 2.321 104 W HA -0.293 4.375 4.660 0.014 0.000 0.306 104 W C 2.024 178.385 176.519 -0.263 0.000 1.217 104 W CA 1.071 58.289 57.345 -0.212 0.000 1.257 104 W CB -0.598 28.710 29.460 -0.253 0.000 1.145 104 W HN 0.046 nan 8.180 nan 0.000 0.509 105 C N 0.033 119.155 119.300 -0.295 0.000 2.436 105 C HA -0.237 4.231 4.460 0.013 0.000 0.277 105 C C 2.624 177.469 174.990 -0.241 0.000 1.241 105 C CA 1.474 60.260 59.018 -0.387 0.000 1.721 105 C CB -1.359 26.152 27.740 -0.382 0.000 2.043 105 C HN 0.451 nan 8.230 nan 0.000 0.472 106 Q N 0.734 120.430 119.800 -0.173 0.000 1.956 106 Q HA -0.207 4.141 4.340 0.013 0.000 0.208 106 Q C 2.257 178.218 176.000 -0.064 0.000 0.998 106 Q CA 1.566 57.298 55.803 -0.118 0.000 0.855 106 Q CB -0.522 28.066 28.738 -0.251 0.000 0.928 106 Q HN 0.649 nan 8.270 nan 0.000 0.418 107 L N -0.724 120.447 121.223 -0.086 0.000 2.081 107 L HA -0.155 4.193 4.340 0.013 0.000 0.212 107 L C 1.110 177.930 176.870 -0.084 0.000 1.080 107 L CA 1.180 55.992 54.840 -0.048 0.000 0.754 107 L CB -0.608 41.430 42.059 -0.034 0.000 0.893 107 L HN 0.640 nan 8.230 nan 0.000 0.433 108 G N -1.273 107.394 108.800 -0.222 0.000 2.610 108 G HA2 -0.070 3.898 3.960 0.013 0.000 0.136 108 G HA3 -0.070 3.898 3.960 0.013 0.000 0.136 108 G C 0.477 175.097 174.900 -0.467 0.000 1.070 108 G CA -0.239 44.713 45.100 -0.246 0.000 0.812 108 G HN 0.342 nan 8.290 nan 0.000 0.495 109 G N -0.066 108.073 108.800 -1.101 0.000 2.453 109 G HA2 0.129 4.097 3.960 0.013 0.000 0.215 109 G HA3 0.129 4.097 3.960 0.013 0.000 0.215 109 G C 1.744 175.944 174.900 -1.166 0.000 1.147 109 G CA 0.845 44.855 45.100 -1.817 0.000 0.802 109 G HN 0.625 nan 8.290 nan 0.000 0.535 110 L N -0.907 119.777 121.223 -0.899 0.000 2.450 110 L HA -0.064 4.284 4.340 0.013 0.000 0.225 110 L C 2.330 179.140 176.870 -0.100 0.000 1.145 110 L CA 0.446 55.052 54.840 -0.389 0.000 0.801 110 L CB -0.149 41.737 42.059 -0.289 0.000 0.924 110 L HN 0.433 nan 8.230 nan 0.000 0.447 111 W N 0.817 121.977 121.300 -0.234 0.000 2.476 111 W HA -0.198 4.470 4.660 0.012 0.000 0.319 111 W C 2.871 179.323 176.519 -0.112 0.000 1.132 111 W CA 2.133 59.405 57.345 -0.122 0.000 1.325 111 W CB -0.795 28.612 29.460 -0.089 0.000 1.215 111 W HN 0.208 nan 8.180 nan 0.000 0.460 112 T N -0.617 114.033 114.554 0.160 0.000 2.736 112 T HA -0.440 3.918 4.350 0.013 0.000 0.265 112 T C 1.746 176.391 174.700 -0.092 0.000 1.031 112 T CA 1.836 63.876 62.100 -0.101 0.000 1.155 112 T CB -1.497 67.325 68.868 -0.077 0.000 0.849 112 T HN 0.247 nan 8.240 nan 0.000 0.471 113 F N 2.091 122.001 119.950 -0.065 0.000 2.025 113 F HA -0.063 4.472 4.527 0.013 0.000 0.297 113 F C 2.309 178.134 175.800 0.043 0.000 1.132 113 F CA 1.737 59.832 58.000 0.157 0.000 1.191 113 F CB -0.321 38.790 39.000 0.185 0.000 0.963 113 F HN 0.112 nan 8.300 nan 0.000 0.481 114 I N -0.036 120.494 120.570 -0.068 0.000 2.286 114 I HA -0.310 3.868 4.170 0.013 0.000 0.248 114 I C 2.596 178.448 176.117 -0.441 0.000 1.115 114 I CA 1.019 62.084 61.300 -0.392 0.000 1.392 114 I CB -1.142 36.308 38.000 -0.918 0.000 1.065 114 I HN 0.294 nan 8.210 nan 0.000 0.418 115 A N 1.641 124.126 122.820 -0.558 0.000 1.825 115 A HA -0.143 4.185 4.320 0.013 0.000 0.214 115 A C 2.302 179.788 177.584 -0.162 0.000 1.206 115 A CA 1.317 53.126 52.037 -0.381 0.000 0.609 115 A CB -1.048 17.482 19.000 -0.783 0.000 0.851 115 A HN 0.321 nan 8.150 nan 0.000 0.445 116 L N -1.315 119.787 121.223 -0.202 0.000 2.043 116 L HA -0.293 4.055 4.340 0.013 0.000 0.212 116 L C 2.637 179.473 176.870 -0.057 0.000 1.075 116 L CA 2.073 56.840 54.840 -0.122 0.000 0.752 116 L CB -0.868 41.099 42.059 -0.154 0.000 0.891 116 L HN 0.564 nan 8.230 nan 0.000 0.432 117 H N -0.972 118.045 119.070 -0.087 0.000 2.276 117 H HA -0.090 4.474 4.556 0.013 0.000 0.301 117 H C 2.298 177.588 175.328 -0.064 0.000 1.073 117 H CA 1.293 57.285 56.048 -0.093 0.000 1.311 117 H CB -0.491 29.036 29.762 -0.391 0.000 1.379 117 H HN 0.317 nan 8.280 nan 0.000 0.494 118 G N 0.449 109.220 108.800 -0.048 0.000 2.469 118 G HA2 -0.332 3.636 3.960 0.013 0.000 0.220 118 G HA3 -0.332 3.636 3.960 0.013 0.000 0.220 118 G C 1.882 176.656 174.900 -0.210 0.000 1.136 118 G CA 0.991 45.985 45.100 -0.177 0.000 0.759 118 G HN 0.522 nan 8.290 nan 0.000 0.562 119 A N 0.675 123.434 122.820 -0.101 0.000 1.851 119 A HA 0.028 4.356 4.320 0.013 0.000 0.216 119 A C 2.167 179.662 177.584 -0.148 0.000 1.195 119 A CA 1.689 53.672 52.037 -0.089 0.000 0.622 119 A CB -0.694 18.245 19.000 -0.102 0.000 0.831 119 A HN 0.299 nan 8.150 nan 0.000 0.444 120 F N 0.403 120.347 119.950 -0.010 0.000 2.216 120 F HA -0.013 4.522 4.527 0.014 0.000 0.300 120 F C 2.638 178.441 175.800 0.006 0.000 1.085 120 F CA 0.985 58.992 58.000 0.012 0.000 1.326 120 F CB -0.842 38.165 39.000 0.012 0.000 1.027 120 F HN 0.288 nan 8.300 nan 0.000 0.497 121 G N 0.053 108.933 108.800 0.133 0.000 2.422 121 G HA2 -0.204 3.764 3.960 0.013 0.000 0.218 121 G HA3 -0.204 3.764 3.960 0.013 0.000 0.218 121 G C 1.728 176.653 174.900 0.041 0.000 1.146 121 G CA 0.718 45.849 45.100 0.052 0.000 0.769 121 G HN 0.334 nan 8.290 nan 0.000 0.547 122 L N 0.041 121.253 121.223 -0.020 0.000 2.201 122 L HA 0.076 4.424 4.340 0.013 0.000 0.212 122 L C 2.752 179.744 176.870 0.204 0.000 1.105 122 L CA 0.336 55.215 54.840 0.064 0.000 0.775 122 L CB -0.249 41.731 42.059 -0.132 0.000 0.913 122 L HN 0.226 nan 8.230 nan 0.000 0.440 123 I N -0.389 120.260 120.570 0.132 0.000 2.233 123 I HA -0.152 4.026 4.170 0.013 0.000 0.243 123 I C 2.672 178.891 176.117 0.172 0.000 1.093 123 I CA 1.238 62.633 61.300 0.158 0.000 1.380 123 I CB -0.899 37.180 38.000 0.131 0.000 1.067 123 I HN 0.237 nan 8.210 nan 0.000 0.413 124 G N 1.152 110.045 108.800 0.156 0.000 2.514 124 G HA2 -0.352 3.616 3.960 0.013 0.000 0.217 124 G HA3 -0.352 3.616 3.960 0.013 0.000 0.217 124 G C 1.639 176.591 174.900 0.087 0.000 1.198 124 G CA 0.859 46.026 45.100 0.112 0.000 0.780 124 G HN 0.341 nan 8.290 nan 0.000 0.565 125 F N 0.820 120.718 119.950 -0.087 0.000 2.202 125 F HA -0.040 4.495 4.527 0.013 0.000 0.301 125 F C 2.626 178.297 175.800 -0.214 0.000 1.082 125 F CA 1.996 59.875 58.000 -0.201 0.000 1.313 125 F CB -0.091 38.731 39.000 -0.296 0.000 1.024 125 F HN 0.181 nan 8.300 nan 0.000 0.495 126 M N -0.255 119.427 119.600 0.136 0.000 2.117 126 M HA -0.187 4.301 4.480 0.013 0.000 0.262 126 M C 1.955 178.404 176.300 0.249 0.000 1.065 126 M CA 1.791 57.205 55.300 0.189 0.000 1.114 126 M CB -0.280 32.582 32.600 0.436 0.000 1.361 126 M HN 0.255 nan 8.290 nan 0.000 0.408 127 L N -0.745 120.580 121.223 0.170 0.000 2.017 127 L HA -0.191 4.157 4.340 0.013 0.000 0.208 127 L C 2.504 179.422 176.870 0.080 0.000 1.073 127 L CA 1.287 56.214 54.840 0.146 0.000 0.745 127 L CB -0.813 41.277 42.059 0.053 0.000 0.894 127 L HN 0.302 nan 8.230 nan 0.000 0.432 128 R N 0.490 120.946 120.500 -0.074 0.000 2.397 128 R HA -0.174 4.174 4.340 0.013 0.000 0.213 128 R C 1.974 178.124 176.300 -0.249 0.000 1.102 128 R CA 0.970 56.972 56.100 -0.162 0.000 1.040 128 R CB 0.080 30.213 30.300 -0.278 0.000 0.844 128 R HN 0.637 nan 8.270 nan 0.000 0.478 129 Q N -2.570 117.098 119.800 -0.220 0.000 2.431 129 Q HA 0.035 4.382 4.340 0.013 0.000 0.244 129 Q C 1.252 177.201 176.000 -0.085 0.000 0.880 129 Q CA 0.020 55.677 55.803 -0.244 0.000 0.954 129 Q CB -0.170 28.351 28.738 -0.362 0.000 1.105 129 Q HN 0.190 nan 8.270 nan 0.000 0.558 130 F N 2.313 122.212 119.950 -0.086 0.000 2.163 130 F HA 0.008 4.543 4.527 0.014 0.000 0.297 130 F C 2.382 178.174 175.800 -0.014 0.000 1.094 130 F CA 1.459 59.442 58.000 -0.029 0.000 1.290 130 F CB 0.137 39.131 39.000 -0.011 0.000 1.017 130 F HN 0.149 nan 8.300 nan 0.000 0.483 131 E N 0.736 121.052 120.200 0.194 0.000 2.012 131 E HA -0.234 4.124 4.350 0.013 0.000 0.197 131 E C 2.285 178.941 176.600 0.094 0.000 1.007 131 E CA 1.854 58.337 56.400 0.139 0.000 0.816 131 E CB -0.281 29.501 29.700 0.136 0.000 0.762 131 E HN 0.318 nan 8.360 nan 0.000 0.451 132 I N 0.814 121.410 120.570 0.044 0.000 2.099 132 I HA -0.325 3.853 4.170 0.013 0.000 0.239 132 I C 2.647 178.774 176.117 0.017 0.000 1.066 132 I CA 1.115 62.426 61.300 0.018 0.000 1.324 132 I CB -0.575 37.410 38.000 -0.025 0.000 1.037 132 I HN 0.208 nan 8.210 nan 0.000 0.401 133 A N 0.892 123.708 122.820 -0.007 0.000 1.915 133 A HA -0.348 3.980 4.320 0.013 0.000 0.220 133 A C 2.318 179.918 177.584 0.027 0.000 1.198 133 A CA 2.670 54.702 52.037 -0.009 0.000 0.647 133 A CB -0.740 18.221 19.000 -0.065 0.000 0.825 133 A HN 0.366 nan 8.150 nan 0.000 0.456 134 R N -0.074 120.460 120.500 0.056 0.000 2.096 134 R HA 0.008 4.356 4.340 0.013 0.000 0.235 134 R C 1.925 178.261 176.300 0.060 0.000 1.127 134 R CA 1.678 57.821 56.100 0.070 0.000 0.968 134 R CB -0.795 29.564 30.300 0.099 0.000 0.861 134 R HN 0.555 nan 8.270 nan 0.000 0.440 135 L N -0.608 120.650 121.223 0.059 0.000 2.056 135 L HA -0.102 4.245 4.340 0.013 0.000 0.207 135 L C 2.071 178.966 176.870 0.041 0.000 1.078 135 L CA 1.018 55.889 54.840 0.053 0.000 0.749 135 L CB -0.350 41.742 42.059 0.055 0.000 0.901 135 L HN 0.030 nan 8.230 nan 0.000 0.433 136 V N -0.117 119.818 119.914 0.035 0.000 3.217 136 V HA 0.039 4.167 4.120 0.013 0.000 0.264 136 V C 1.417 177.531 176.094 0.033 0.000 1.135 136 V CA 1.057 63.375 62.300 0.030 0.000 1.142 136 V CB -0.687 31.151 31.823 0.025 0.000 0.754 136 V HN 0.734 nan 8.190 nan 0.000 0.484 137 G N 1.158 109.981 108.800 0.037 0.000 2.248 137 G HA2 -0.148 3.820 3.960 0.013 0.000 0.263 137 G HA3 -0.148 3.820 3.960 0.013 0.000 0.263 137 G C -0.033 174.892 174.900 0.043 0.000 1.082 137 G CA 0.295 45.419 45.100 0.040 0.000 0.863 137 G HN 1.135 nan 8.290 nan 0.000 0.495 138 V N -3.793 116.147 119.914 0.044 0.000 3.001 138 V HA 0.845 4.973 4.120 0.013 0.000 0.314 138 V C 0.644 176.776 176.094 0.064 0.000 1.099 138 V CA -2.003 60.328 62.300 0.052 0.000 0.989 138 V CB 1.480 33.329 31.823 0.044 0.000 1.040 138 V HN 0.408 nan 8.190 nan 0.000 0.434 139 R N 2.443 123.006 120.500 0.105 0.000 2.585 139 R HA 0.215 4.563 4.340 0.013 0.000 0.275 139 R C -1.819 174.554 176.300 0.121 0.000 1.018 139 R CA -0.640 55.564 56.100 0.174 0.000 1.072 139 R CB 0.226 30.737 30.300 0.351 0.000 0.953 139 R HN 0.627 nan 8.270 nan 0.000 0.419 140 P HA -0.051 nan 4.420 nan 0.000 0.247 140 P C -0.104 177.114 177.300 -0.136 0.000 1.225 140 P CA 0.619 63.606 63.100 -0.189 0.000 0.768 140 P CB 0.117 31.627 31.700 -0.316 0.000 1.020 141 Y N -0.218 120.063 120.300 -0.032 0.000 2.538 141 Y HA -0.199 4.359 4.550 0.013 0.000 0.287 141 Y C 2.294 178.202 175.900 0.013 0.000 1.157 141 Y CA 1.061 59.178 58.100 0.028 0.000 1.338 141 Y CB -0.861 37.657 38.460 0.096 0.000 0.970 141 Y HN 0.170 nan 8.280 nan 0.000 0.564 142 N N 0.147 118.909 118.700 0.102 0.000 2.354 142 N HA -0.113 4.635 4.740 0.013 0.000 0.179 142 N C 1.867 177.411 175.510 0.057 0.000 1.021 142 N CA 0.878 53.973 53.050 0.075 0.000 0.887 142 N CB 0.040 38.543 38.487 0.026 0.000 0.974 142 N HN 0.359 nan 8.380 nan 0.000 0.437 143 A N 0.973 123.746 122.820 -0.078 0.000 2.016 143 A HA 0.066 4.394 4.320 0.013 0.000 0.217 143 A C 2.225 179.885 177.584 0.127 0.000 1.162 143 A CA 0.288 52.291 52.037 -0.055 0.000 0.662 143 A CB -0.289 18.384 19.000 -0.546 0.000 0.812 143 A HN 0.276 nan 8.150 nan 0.000 0.450 144 I N -0.225 120.384 120.570 0.066 0.000 2.163 144 I HA -0.271 3.907 4.170 0.013 0.000 0.240 144 I C 3.023 179.240 176.117 0.165 0.000 1.081 144 I CA 1.041 62.402 61.300 0.101 0.000 1.353 144 I CB -0.414 37.614 38.000 0.045 0.000 1.054 144 I HN 0.357 nan 8.210 nan 0.000 0.407 145 A N 0.631 123.546 122.820 0.158 0.000 1.917 145 A HA -0.306 4.022 4.320 0.013 0.000 0.219 145 A C 2.219 179.924 177.584 0.202 0.000 1.182 145 A CA 1.854 53.979 52.037 0.148 0.000 0.633 145 A CB -1.133 17.946 19.000 0.133 0.000 0.819 145 A HN 0.461 nan 8.150 nan 0.000 0.448 146 F N 1.617 121.634 119.950 0.112 0.000 2.407 146 F HA -0.119 4.416 4.527 0.013 0.000 0.299 146 F C 2.694 178.592 175.800 0.162 0.000 1.097 146 F CA 1.438 59.513 58.000 0.125 0.000 1.422 146 F CB -0.153 38.949 39.000 0.170 0.000 1.067 146 F HN 0.350 nan 8.300 nan 0.000 0.539 147 S N 0.229 116.106 115.700 0.295 0.000 2.399 147 S HA -0.197 4.281 4.470 0.013 0.000 0.231 147 S C 2.324 177.084 174.600 0.266 0.000 1.022 147 S CA 0.801 59.206 58.200 0.343 0.000 0.983 147 S CB -1.137 62.351 63.200 0.480 0.000 0.803 147 S HN 0.379 nan 8.310 nan 0.000 0.480 148 A N 3.554 126.553 122.820 0.299 0.000 1.842 148 A HA 0.008 4.336 4.320 0.013 0.000 0.217 148 A C 0.281 177.635 177.584 -0.383 0.000 1.206 148 A CA 1.778 53.818 52.037 0.006 0.000 0.630 148 A CB -1.991 17.066 19.000 0.094 0.000 0.839 148 A HN 0.526 nan 8.150 nan 0.000 0.447 149 P HA -0.175 nan 4.420 nan 0.000 0.215 149 P C 1.410 178.460 177.300 -0.416 0.000 1.157 149 P CA 1.286 64.133 63.100 -0.420 0.000 0.874 149 P CB -0.193 31.180 31.700 -0.545 0.000 0.790 150 I N -0.718 119.544 120.570 -0.513 0.000 2.151 150 I HA -0.334 3.844 4.170 0.013 0.000 0.243 150 I C 2.340 178.351 176.117 -0.177 0.000 1.080 150 I CA 1.728 62.868 61.300 -0.267 0.000 1.339 150 I CB -1.061 36.853 38.000 -0.144 0.000 1.039 150 I HN -0.053 nan 8.210 nan 0.000 0.409 151 A N 0.808 123.379 122.820 -0.415 0.000 1.859 151 A HA -0.219 4.109 4.320 0.013 0.000 0.217 151 A C 2.429 179.798 177.584 -0.359 0.000 1.198 151 A CA 2.386 54.061 52.037 -0.604 0.000 0.629 151 A CB -1.240 16.810 19.000 -1.585 0.000 0.830 151 A HN 0.252 nan 8.150 nan 0.000 0.446 152 V N -1.347 118.357 119.914 -0.349 0.000 2.370 152 V HA -0.304 3.824 4.120 0.013 0.000 0.252 152 V C 2.313 178.396 176.094 -0.019 0.000 1.068 152 V CA 2.417 64.617 62.300 -0.167 0.000 1.061 152 V CB -0.939 30.800 31.823 -0.140 0.000 0.656 152 V HN 0.652 nan 8.190 nan 0.000 0.455 153 F N 0.090 119.971 119.950 -0.114 0.000 2.367 153 F HA -0.038 4.496 4.527 0.012 0.000 0.298 153 F C 1.989 177.865 175.800 0.127 0.000 1.094 153 F CA 1.101 59.117 58.000 0.028 0.000 1.409 153 F CB 0.111 39.008 39.000 -0.171 0.000 1.064 153 F HN -0.018 nan 8.300 nan 0.000 0.528 154 V N 0.073 119.954 119.914 -0.054 0.000 2.951 154 V HA -0.158 3.970 4.120 0.013 0.000 0.255 154 V C 2.425 178.478 176.094 -0.068 0.000 1.088 154 V CA 1.402 63.650 62.300 -0.087 0.000 1.109 154 V CB -0.754 31.075 31.823 0.011 0.000 0.724 154 V HN 0.503 nan 8.190 nan 0.000 0.471 155 S N 0.351 116.013 115.700 -0.064 0.000 2.345 155 S HA -0.101 4.377 4.470 0.013 0.000 0.219 155 S C 1.833 176.414 174.600 -0.031 0.000 1.031 155 S CA 1.361 59.551 58.200 -0.017 0.000 0.984 155 S CB -0.503 62.691 63.200 -0.010 0.000 0.874 155 S HN 0.315 nan 8.310 nan 0.000 0.451 156 V N 0.220 120.030 119.914 -0.173 0.000 3.217 156 V HA 0.161 4.289 4.120 0.013 0.000 0.264 156 V C 1.392 177.012 176.094 -0.790 0.000 1.135 156 V CA 1.141 63.152 62.300 -0.481 0.000 1.142 156 V CB -0.984 30.400 31.823 -0.732 0.000 0.754 156 V HN 0.464 nan 8.190 nan 0.000 0.484 157 F N -1.928 117.819 119.950 -0.337 0.000 2.667 157 F HA 0.316 4.851 4.527 0.012 0.000 0.288 157 F C 1.616 177.463 175.800 0.080 0.000 1.086 157 F CA 0.353 58.199 58.000 -0.257 0.000 1.297 157 F CB 0.194 38.710 39.000 -0.806 0.000 1.059 157 F HN -0.056 nan 8.300 nan 0.000 0.624 158 L N -0.716 120.603 121.223 0.161 0.000 2.347 158 L HA 0.120 4.468 4.340 0.013 0.000 0.196 158 L C 2.063 179.087 176.870 0.256 0.000 1.072 158 L CA 0.404 55.427 54.840 0.306 0.000 0.817 158 L CB -0.397 41.773 42.059 0.186 0.000 1.029 158 L HN -0.025 nan 8.230 nan 0.000 0.478 159 I N -0.390 120.267 120.570 0.144 0.000 2.036 159 I HA -0.387 3.791 4.170 0.013 0.000 0.231 159 I C 2.505 178.704 176.117 0.137 0.000 1.044 159 I CA 1.883 63.249 61.300 0.110 0.000 1.315 159 I CB -0.693 37.350 38.000 0.072 0.000 1.051 159 I HN 0.156 nan 8.210 nan 0.000 0.391 160 Y N 2.451 122.764 120.300 0.021 0.000 2.065 160 Y HA -0.318 4.240 4.550 0.013 0.000 0.251 160 Y C -0.500 175.424 175.900 0.040 0.000 1.258 160 Y CA 2.916 61.029 58.100 0.021 0.000 1.070 160 Y CB -1.965 36.529 38.460 0.056 0.000 0.880 160 Y HN 0.149 nan 8.280 nan 0.000 0.509 161 P HA -0.181 nan 4.420 nan 0.000 0.218 161 P C 1.593 178.939 177.300 0.077 0.000 1.148 161 P CA 2.016 65.206 63.100 0.151 0.000 0.822 161 P CB -0.165 31.640 31.700 0.176 0.000 0.784 162 L N -1.999 119.258 121.223 0.056 0.000 2.362 162 L HA -0.051 4.297 4.340 0.013 0.000 0.219 162 L C 2.246 179.091 176.870 -0.042 0.000 1.134 162 L CA 1.213 56.032 54.840 -0.036 0.000 0.807 162 L CB -1.105 40.870 42.059 -0.140 0.000 0.927 162 L HN 0.104 nan 8.230 nan 0.000 0.447 163 G N -1.007 107.744 108.800 -0.081 0.000 2.655 163 G HA2 -0.041 3.927 3.960 0.013 0.000 0.217 163 G HA3 -0.041 3.927 3.960 0.013 0.000 0.217 163 G C 0.447 175.244 174.900 -0.171 0.000 1.279 163 G CA -0.286 44.718 45.100 -0.160 0.000 0.870 163 G HN 0.218 nan 8.290 nan 0.000 0.560 164 Q N 1.470 121.086 119.800 -0.307 0.000 2.307 164 Q HA 0.404 4.752 4.340 0.013 0.000 0.261 164 Q C 0.082 176.025 176.000 -0.095 0.000 1.051 164 Q CA -0.326 55.319 55.803 -0.263 0.000 0.911 164 Q CB 1.014 29.487 28.738 -0.441 0.000 1.227 164 Q HN 0.285 nan 8.270 nan 0.000 0.418 165 S N 2.646 118.303 115.700 -0.072 0.000 2.930 165 S HA -0.127 4.351 4.470 0.013 0.000 0.351 165 S C -0.372 174.075 174.600 -0.255 0.000 1.210 165 S CA 0.898 59.021 58.200 -0.129 0.000 0.993 165 S CB -0.174 62.975 63.200 -0.086 0.000 0.682 165 S HN 1.019 nan 8.310 nan 0.000 0.484 166 S N 3.919 119.100 115.700 -0.866 0.000 3.303 166 S HA -0.181 4.297 4.470 0.013 0.000 0.856 166 S C -0.005 174.371 174.600 -0.374 0.000 1.103 166 S CA 0.208 57.944 58.200 -0.773 0.000 1.118 166 S CB -1.263 61.697 63.200 -0.400 0.000 0.839 166 S HN 0.690 nan 8.310 nan 0.000 0.272 167 W N 4.367 125.528 121.300 -0.232 0.000 2.274 167 W HA 0.388 5.056 4.660 0.013 0.000 0.345 167 W C 1.435 177.773 176.519 -0.302 0.000 1.265 167 W CA 0.490 57.665 57.345 -0.283 0.000 1.293 167 W CB -0.344 28.765 29.460 -0.584 0.000 1.175 167 W HN 1.070 nan 8.180 nan 0.000 0.577 168 F N 0.008 119.741 119.950 -0.361 0.000 1.825 168 F HA -0.128 4.407 4.527 0.014 0.000 0.455 168 F C 0.555 176.006 175.800 -0.582 0.000 0.900 168 F CA -0.525 57.145 58.000 -0.551 0.000 1.223 168 F CB -1.409 37.130 39.000 -0.767 0.000 1.895 168 F HN 0.024 nan 8.300 nan 0.000 0.341 169 F N 2.830 122.776 119.950 -0.006 0.000 2.645 169 F HA 0.685 5.220 4.527 0.013 0.000 0.300 169 F C 1.015 176.864 175.800 0.082 0.000 1.115 169 F CA 0.411 58.381 58.000 -0.049 0.000 1.355 169 F CB -0.388 38.636 39.000 0.040 0.000 1.026 169 F HN 0.150 nan 8.300 nan 0.000 0.536 170 A N 0.377 123.197 122.820 0.000 0.000 2.304 170 A HA 0.601 4.929 4.320 0.013 0.000 0.301 170 A C -2.327 175.017 177.584 -0.401 0.000 1.132 170 A CA -1.632 50.319 52.037 -0.142 0.000 0.819 170 A CB 0.214 19.253 19.000 0.065 0.000 1.094 170 A HN -0.115 nan 8.150 nan 0.000 0.492 171 P HA 0.049 nan 4.420 nan 0.000 0.266 171 P C 0.304 177.470 177.300 -0.223 0.000 1.193 171 P CA 0.518 63.129 63.100 -0.816 0.000 0.770 171 P CB 0.698 31.681 31.700 -1.194 0.000 0.836 172 S N 1.799 117.447 115.700 -0.086 0.000 2.685 172 S HA 0.189 4.667 4.470 0.013 0.000 0.240 172 S C 0.031 174.857 174.600 0.376 0.000 0.967 172 S CA -0.286 58.027 58.200 0.187 0.000 1.009 172 S CB -1.180 62.038 63.200 0.029 0.000 0.776 172 S HN 0.419 nan 8.310 nan 0.000 0.467 173 F N 0.385 120.435 119.950 0.166 0.000 3.074 173 F HA -0.184 4.351 4.527 0.014 0.000 0.287 173 F C 0.881 176.759 175.800 0.130 0.000 0.932 173 F CA 0.573 58.626 58.000 0.089 0.000 0.995 173 F CB -1.597 37.483 39.000 0.132 0.000 0.966 173 F HN 0.315 nan 8.300 nan 0.000 0.721 174 G N -0.779 108.104 108.800 0.139 0.000 2.566 174 G HA2 0.518 4.486 3.960 0.013 0.000 0.311 174 G HA3 0.518 4.486 3.960 0.013 0.000 0.311 174 G C 0.375 175.259 174.900 -0.026 0.000 1.322 174 G CA -0.364 44.809 45.100 0.122 0.000 0.969 174 G HN 0.043 nan 8.290 nan 0.000 0.490 175 V N 1.922 121.810 119.914 -0.044 0.000 2.250 175 V HA -0.271 3.857 4.120 0.013 0.000 0.250 175 V C 2.993 179.048 176.094 -0.064 0.000 1.060 175 V CA 3.172 65.413 62.300 -0.098 0.000 1.030 175 V CB -0.551 31.221 31.823 -0.086 0.000 0.643 175 V HN 0.860 nan 8.190 nan 0.000 0.445 176 A N -1.085 121.824 122.820 0.148 0.000 2.030 176 A HA 0.324 4.652 4.320 0.013 0.000 0.215 176 A C 2.139 179.878 177.584 0.259 0.000 1.164 176 A CA 1.043 53.332 52.037 0.420 0.000 0.697 176 A CB -0.369 18.813 19.000 0.303 0.000 0.827 176 A HN 0.565 nan 8.150 nan 0.000 0.457 177 A N -0.556 122.319 122.820 0.092 0.000 2.235 177 A HA 0.253 4.580 4.320 0.013 0.000 0.208 177 A C 1.689 179.283 177.584 0.017 0.000 1.172 177 A CA 0.610 52.687 52.037 0.067 0.000 0.786 177 A CB -0.534 18.482 19.000 0.026 0.000 0.804 177 A HN 0.483 nan 8.150 nan 0.000 0.479 178 I N -2.105 118.400 120.570 -0.109 0.000 2.867 178 I HA -0.041 4.137 4.170 0.013 0.000 0.265 178 I C 1.632 177.722 176.117 -0.044 0.000 1.162 178 I CA 0.461 61.650 61.300 -0.184 0.000 1.471 178 I CB -0.079 37.680 38.000 -0.403 0.000 1.123 178 I HN 0.299 nan 8.210 nan 0.000 0.440 179 F N 1.058 121.075 119.950 0.111 0.000 2.146 179 F HA -0.161 4.373 4.527 0.012 0.000 0.298 179 F C 2.650 178.543 175.800 0.154 0.000 1.096 179 F CA 1.081 59.152 58.000 0.119 0.000 1.275 179 F CB -0.757 38.298 39.000 0.091 0.000 1.008 179 F HN -0.006 nan 8.300 nan 0.000 0.480 180 R N 0.697 121.399 120.500 0.337 0.000 2.091 180 R HA -0.239 4.108 4.340 0.013 0.000 0.238 180 R C 2.227 178.728 176.300 0.334 0.000 1.136 180 R CA 1.704 57.978 56.100 0.290 0.000 0.959 180 R CB -1.577 28.863 30.300 0.233 0.000 0.856 180 R HN 0.331 nan 8.270 nan 0.000 0.437 181 F N 1.258 121.281 119.950 0.121 0.000 2.095 181 F HA -0.192 4.343 4.527 0.012 0.000 0.298 181 F C 2.276 178.213 175.800 0.228 0.000 1.104 181 F CA 1.565 59.620 58.000 0.093 0.000 1.232 181 F CB -0.168 38.761 39.000 -0.119 0.000 0.987 181 F HN -0.038 nan 8.300 nan 0.000 0.475 182 L N -0.091 121.283 121.223 0.253 0.000 1.944 182 L HA -0.309 4.039 4.340 0.013 0.000 0.218 182 L C 2.465 179.480 176.870 0.241 0.000 1.075 182 L CA 1.690 56.648 54.840 0.197 0.000 0.767 182 L CB -1.145 41.065 42.059 0.251 0.000 0.890 182 L HN 0.189 nan 8.230 nan 0.000 0.434 183 L N -1.225 120.145 121.223 0.245 0.000 1.990 183 L HA -0.291 4.057 4.340 0.013 0.000 0.213 183 L C 2.635 179.635 176.870 0.218 0.000 1.072 183 L CA 1.440 56.398 54.840 0.196 0.000 0.755 183 L CB -0.753 41.405 42.059 0.164 0.000 0.889 183 L HN 0.183 nan 8.230 nan 0.000 0.432 184 F N 0.433 120.452 119.950 0.115 0.000 2.085 184 F HA -0.342 4.193 4.527 0.012 0.000 0.299 184 F C 2.175 178.002 175.800 0.046 0.000 1.096 184 F CA 1.628 59.689 58.000 0.102 0.000 1.227 184 F CB -0.476 38.521 39.000 -0.005 0.000 0.983 184 F HN -0.133 nan 8.300 nan 0.000 0.482 185 F N 0.472 120.525 119.950 0.171 0.000 2.031 185 F HA -0.241 4.294 4.527 0.013 0.000 0.295 185 F C 2.781 178.576 175.800 -0.008 0.000 1.133 185 F CA 2.085 60.104 58.000 0.031 0.000 1.188 185 F CB -1.335 37.521 39.000 -0.241 0.000 0.974 185 F HN -0.014 nan 8.300 nan 0.000 0.473 186 Q N 0.706 120.643 119.800 0.230 0.000 2.028 186 Q HA -0.237 4.111 4.340 0.013 0.000 0.213 186 Q C 2.472 178.486 176.000 0.024 0.000 1.017 186 Q CA 2.320 58.210 55.803 0.146 0.000 0.875 186 Q CB -1.378 27.433 28.738 0.122 0.000 0.962 186 Q HN 0.479 nan 8.270 nan 0.000 0.413 187 G N -1.245 107.507 108.800 -0.080 0.000 2.408 187 G HA2 -0.203 3.765 3.960 0.013 0.000 0.217 187 G HA3 -0.203 3.765 3.960 0.013 0.000 0.217 187 G C 1.265 175.877 174.900 -0.482 0.000 1.150 187 G CA 0.682 45.628 45.100 -0.256 0.000 0.776 187 G HN 0.335 nan 8.290 nan 0.000 0.542 188 F N -0.331 119.269 119.950 -0.582 0.000 2.220 188 F HA 0.225 4.760 4.527 0.013 0.000 0.290 188 F C 2.547 177.882 175.800 -0.776 0.000 1.080 188 F CA 0.940 58.435 58.000 -0.841 0.000 1.318 188 F CB 0.121 38.331 39.000 -1.317 0.000 1.063 188 F HN 0.134 nan 8.300 nan 0.000 0.498 189 H N -1.387 117.554 119.070 -0.216 0.000 2.622 189 H HA 0.145 4.709 4.556 0.013 0.000 0.269 189 H C 0.147 175.466 175.328 -0.015 0.000 0.977 189 H CA 0.238 56.159 56.048 -0.212 0.000 1.179 189 H CB -0.265 29.245 29.762 -0.419 0.000 1.458 189 H HN 0.024 nan 8.280 nan 0.000 0.531 190 N N 0.579 119.364 118.700 0.142 0.000 2.642 190 N HA -0.215 4.533 4.740 0.013 0.000 0.269 190 N C 0.648 176.353 175.510 0.324 0.000 1.073 190 N CA 0.293 53.484 53.050 0.234 0.000 0.748 190 N CB -1.467 37.226 38.487 0.343 0.000 0.894 190 N HN 0.556 nan 8.380 nan 0.000 0.548 191 W N 0.208 121.564 121.300 0.094 0.000 2.317 191 W HA -0.318 4.352 4.660 0.017 0.000 0.318 191 W C 2.512 179.003 176.519 -0.047 0.000 1.227 191 W CA 1.755 59.098 57.345 -0.004 0.000 1.269 191 W CB -0.460 28.895 29.460 -0.174 0.000 1.155 191 W HN 0.612 nan 8.180 nan 0.000 0.484 192 T N -0.080 114.589 114.554 0.191 0.000 2.564 192 T HA -0.370 3.987 4.350 0.013 0.000 0.264 192 T C 1.609 176.381 174.700 0.120 0.000 1.100 192 T CA 2.214 64.373 62.100 0.099 0.000 1.171 192 T CB -1.192 67.736 68.868 0.100 0.000 0.863 192 T HN 0.267 nan 8.240 nan 0.000 0.430 193 L N 1.393 122.692 121.223 0.126 0.000 2.450 193 L HA -0.008 4.340 4.340 0.013 0.000 0.225 193 L C 1.398 178.339 176.870 0.118 0.000 1.145 193 L CA 0.441 55.325 54.840 0.073 0.000 0.801 193 L CB -0.852 41.189 42.059 -0.030 0.000 0.924 193 L HN 0.386 nan 8.230 nan 0.000 0.447 194 N N 0.449 119.271 118.700 0.204 0.000 2.402 194 N HA 0.068 4.816 4.740 0.013 0.000 0.252 194 N C -1.677 173.940 175.510 0.180 0.000 1.118 194 N CA -1.530 51.675 53.050 0.258 0.000 0.945 194 N CB 1.425 40.204 38.487 0.486 0.000 1.147 194 N HN -0.116 nan 8.380 nan 0.000 0.495 195 P HA -0.125 nan 4.420 nan 0.000 0.218 195 P C 0.992 178.342 177.300 0.083 0.000 1.146 195 P CA 1.146 64.331 63.100 0.142 0.000 0.820 195 P CB 0.082 31.892 31.700 0.183 0.000 0.778 196 F N -1.717 118.250 119.950 0.027 0.000 2.163 196 F HA -0.166 4.370 4.527 0.014 0.000 0.297 196 F C 2.742 178.470 175.800 -0.120 0.000 1.094 196 F CA 1.398 59.398 58.000 -0.000 0.000 1.290 196 F CB -0.478 38.575 39.000 0.088 0.000 1.017 196 F HN 0.093 nan 8.300 nan 0.000 0.483 197 H N -0.043 118.865 119.070 -0.271 0.000 2.384 197 H HA -0.127 4.437 4.556 0.012 0.000 0.300 197 H C 2.275 177.375 175.328 -0.380 0.000 1.057 197 H CA 1.500 57.178 56.048 -0.617 0.000 1.370 197 H CB -0.545 28.225 29.762 -1.655 0.000 1.417 197 H HN 0.298 nan 8.280 nan 0.000 0.527 198 M N 0.168 119.714 119.600 -0.090 0.000 2.116 198 M HA -0.278 4.210 4.480 0.013 0.000 0.255 198 M C 2.481 178.687 176.300 -0.157 0.000 1.075 198 M CA 2.250 57.514 55.300 -0.059 0.000 1.087 198 M CB -0.152 32.457 32.600 0.015 0.000 1.340 198 M HN 0.381 nan 8.290 nan 0.000 0.402 199 M N -0.506 118.991 119.600 -0.171 0.000 2.091 199 M HA -0.111 4.377 4.480 0.013 0.000 0.259 199 M C 2.117 178.284 176.300 -0.221 0.000 1.076 199 M CA 2.275 57.467 55.300 -0.181 0.000 1.111 199 M CB -0.942 31.525 32.600 -0.223 0.000 1.291 199 M HN 0.485 nan 8.290 nan 0.000 0.417 200 G N -0.105 108.532 108.800 -0.271 0.000 2.759 200 G HA2 -0.344 3.624 3.960 0.013 0.000 0.224 200 G HA3 -0.344 3.624 3.960 0.013 0.000 0.224 200 G C 1.300 176.012 174.900 -0.313 0.000 1.173 200 G CA 1.936 46.858 45.100 -0.297 0.000 0.770 200 G HN 0.435 nan 8.290 nan 0.000 0.626 201 V N 1.790 121.442 119.914 -0.437 0.000 2.231 201 V HA -0.268 3.860 4.120 0.013 0.000 0.250 201 V C 3.389 179.373 176.094 -0.183 0.000 1.058 201 V CA 2.749 64.859 62.300 -0.316 0.000 1.022 201 V CB -1.350 30.305 31.823 -0.280 0.000 0.640 201 V HN 0.635 nan 8.190 nan 0.000 0.445 202 A N 0.364 123.091 122.820 -0.155 0.000 1.927 202 A HA -0.217 4.111 4.320 0.013 0.000 0.220 202 A C 2.400 179.925 177.584 -0.099 0.000 1.185 202 A CA 2.523 54.500 52.037 -0.100 0.000 0.639 202 A CB -1.406 17.545 19.000 -0.081 0.000 0.820 202 A HN 0.599 nan 8.150 nan 0.000 0.451 203 G N -0.771 107.954 108.800 -0.126 0.000 2.484 203 G HA2 -0.106 3.861 3.960 0.013 0.000 0.215 203 G HA3 -0.106 3.861 3.960 0.013 0.000 0.215 203 G C 1.546 176.376 174.900 -0.118 0.000 1.219 203 G CA 1.367 46.392 45.100 -0.125 0.000 0.791 203 G HN 0.350 nan 8.290 nan 0.000 0.550 204 V N 0.838 120.676 119.914 -0.127 0.000 2.255 204 V HA -0.164 3.964 4.120 0.013 0.000 0.247 204 V C 2.740 178.785 176.094 -0.082 0.000 1.051 204 V CA 1.795 64.032 62.300 -0.106 0.000 1.018 204 V CB -0.630 31.126 31.823 -0.112 0.000 0.641 204 V HN 0.319 nan 8.190 nan 0.000 0.445 205 L N 1.233 122.407 121.223 -0.081 0.000 2.079 205 L HA -0.069 4.279 4.340 0.013 0.000 0.210 205 L C 2.238 179.076 176.870 -0.052 0.000 1.081 205 L CA 2.393 57.198 54.840 -0.059 0.000 0.752 205 L CB -1.173 40.852 42.059 -0.056 0.000 0.896 205 L HN 0.300 nan 8.230 nan 0.000 0.433 206 G N -1.696 107.069 108.800 -0.059 0.000 2.464 206 G HA2 -0.076 3.892 3.960 0.013 0.000 0.217 206 G HA3 -0.076 3.892 3.960 0.013 0.000 0.217 206 G C 1.478 176.348 174.900 -0.050 0.000 1.138 206 G CA 0.419 45.491 45.100 -0.046 0.000 0.793 206 G HN 0.565 nan 8.290 nan 0.000 0.539 207 G N 1.080 109.838 108.800 -0.069 0.000 2.403 207 G HA2 0.108 4.076 3.960 0.013 0.000 0.216 207 G HA3 0.108 4.076 3.960 0.013 0.000 0.216 207 G C 1.988 176.855 174.900 -0.055 0.000 1.154 207 G CA 1.339 46.394 45.100 -0.075 0.000 0.784 207 G HN 0.542 nan 8.290 nan 0.000 0.538 208 A N 0.525 123.316 122.820 -0.048 0.000 1.930 208 A HA 0.110 4.438 4.320 0.013 0.000 0.217 208 A C 2.318 179.882 177.584 -0.034 0.000 1.175 208 A CA 1.333 53.349 52.037 -0.035 0.000 0.627 208 A CB -0.394 18.587 19.000 -0.031 0.000 0.815 208 A HN 0.403 nan 8.150 nan 0.000 0.443 209 L N -0.312 120.886 121.223 -0.040 0.000 1.970 209 L HA -0.190 4.158 4.340 0.013 0.000 0.212 209 L C 2.465 179.301 176.870 -0.055 0.000 1.071 209 L CA 1.774 56.585 54.840 -0.048 0.000 0.751 209 L CB -0.353 41.672 42.059 -0.056 0.000 0.889 209 L HN 0.418 nan 8.230 nan 0.000 0.432 210 L N -0.637 120.554 121.223 -0.053 0.000 2.043 210 L HA -0.342 4.006 4.340 0.013 0.000 0.212 210 L C 2.876 179.725 176.870 -0.035 0.000 1.075 210 L CA 1.593 56.398 54.840 -0.058 0.000 0.752 210 L CB -0.833 41.203 42.059 -0.039 0.000 0.891 210 L HN 0.563 nan 8.230 nan 0.000 0.432 211 C N -0.090 119.193 119.300 -0.028 0.000 2.411 211 C HA -0.119 4.349 4.460 0.013 0.000 0.279 211 C C 2.753 177.750 174.990 0.012 0.000 1.288 211 C CA 0.992 60.008 59.018 -0.004 0.000 1.764 211 C CB -0.719 27.014 27.740 -0.011 0.000 1.974 211 C HN 0.567 nan 8.230 nan 0.000 0.498 212 A N -1.197 121.622 122.820 -0.002 0.000 2.267 212 A HA 0.305 4.633 4.320 0.013 0.000 0.213 212 A C 1.764 179.356 177.584 0.013 0.000 1.192 212 A CA 0.306 52.344 52.037 0.002 0.000 0.851 212 A CB -0.259 18.738 19.000 -0.005 0.000 0.881 212 A HN 0.596 nan 8.150 nan 0.000 0.494 213 I N -1.791 118.787 120.570 0.012 0.000 2.404 213 I HA -0.061 4.117 4.170 0.013 0.000 0.231 213 I C 2.329 178.508 176.117 0.102 0.000 1.064 213 I CA 1.087 62.411 61.300 0.040 0.000 1.383 213 I CB -0.816 37.148 38.000 -0.060 0.000 1.171 213 I HN 0.455 nan 8.210 nan 0.000 0.422 214 H N 1.427 120.483 119.070 -0.023 0.000 2.280 214 H HA -0.274 4.289 4.556 0.011 0.000 0.284 214 H C 2.063 177.352 175.328 -0.065 0.000 1.108 214 H CA 2.312 58.335 56.048 -0.042 0.000 1.163 214 H CB -1.028 28.673 29.762 -0.102 0.000 1.358 214 H HN 0.388 nan 8.280 nan 0.000 0.505 215 G N -0.390 108.363 108.800 -0.078 0.000 2.574 215 G HA2 -0.342 3.626 3.960 0.013 0.000 0.220 215 G HA3 -0.342 3.626 3.960 0.013 0.000 0.220 215 G C 1.940 176.749 174.900 -0.152 0.000 1.173 215 G CA 2.143 47.147 45.100 -0.159 0.000 0.772 215 G HN 0.752 nan 8.290 nan 0.000 0.585 216 A N -0.179 122.603 122.820 -0.065 0.000 1.898 216 A HA 0.013 4.341 4.320 0.013 0.000 0.216 216 A C 2.546 180.088 177.584 -0.070 0.000 1.181 216 A CA 2.484 54.495 52.037 -0.043 0.000 0.620 216 A CB -0.997 18.015 19.000 0.020 0.000 0.819 216 A HN 0.332 nan 8.150 nan 0.000 0.442 217 T N 0.032 114.568 114.554 -0.029 0.000 2.607 217 T HA -0.174 4.184 4.350 0.013 0.000 0.267 217 T C 1.880 176.442 174.700 -0.229 0.000 1.049 217 T CA 1.832 63.902 62.100 -0.051 0.000 1.162 217 T CB -0.750 68.188 68.868 0.115 0.000 0.863 217 T HN 0.161 nan 8.240 nan 0.000 0.424 218 V N 1.975 121.645 119.914 -0.406 0.000 2.239 218 V HA -0.247 3.881 4.120 0.013 0.000 0.246 218 V C 2.630 178.548 176.094 -0.293 0.000 1.037 218 V CA 1.976 63.944 62.300 -0.554 0.000 1.012 218 V CB -0.728 30.657 31.823 -0.730 0.000 0.650 218 V HN 0.455 nan 8.190 nan 0.000 0.467 219 E N 0.540 120.602 120.200 -0.230 0.000 2.197 219 E HA -0.266 4.092 4.350 0.013 0.000 0.205 219 E C 1.879 178.397 176.600 -0.137 0.000 1.029 219 E CA 1.823 58.136 56.400 -0.145 0.000 0.828 219 E CB -0.621 29.010 29.700 -0.115 0.000 0.737 219 E HN 0.664 nan 8.360 nan 0.000 0.464 220 N N -0.567 118.033 118.700 -0.167 0.000 2.446 220 N HA -0.022 4.726 4.740 0.013 0.000 0.179 220 N C 1.359 176.724 175.510 -0.242 0.000 1.054 220 N CA 0.663 53.598 53.050 -0.192 0.000 0.905 220 N CB 0.127 38.487 38.487 -0.211 0.000 0.973 220 N HN 0.086 nan 8.380 nan 0.000 0.448 221 T N 1.016 115.434 114.554 -0.227 0.000 3.037 221 T HA 0.236 4.594 4.350 0.013 0.000 0.251 221 T C 1.063 175.630 174.700 -0.222 0.000 1.079 221 T CA -0.330 61.629 62.100 -0.236 0.000 1.067 221 T CB 0.491 69.262 68.868 -0.162 0.000 0.948 221 T HN 0.053 nan 8.240 nan 0.000 0.496 222 L N 1.380 122.530 121.223 -0.122 0.000 2.527 222 L HA -0.038 4.310 4.340 0.013 0.000 0.308 222 L C 0.308 177.083 176.870 -0.158 0.000 1.294 222 L CA 0.377 55.189 54.840 -0.045 0.000 0.838 222 L CB 0.076 42.146 42.059 0.019 0.000 1.077 222 L HN 0.148 nan 8.230 nan 0.000 0.552 223 F N -0.490 119.484 119.950 0.039 0.000 2.411 223 F HA 0.146 4.682 4.527 0.015 0.000 0.324 223 F C 1.014 176.823 175.800 0.016 0.000 1.086 223 F CA -0.207 57.807 58.000 0.022 0.000 1.028 223 F CB 1.011 40.028 39.000 0.028 0.000 1.284 223 F HN 0.427 nan 8.300 nan 0.000 0.501 224 Q N 0.859 120.841 119.800 0.302 0.000 2.096 224 Q HA -0.058 4.290 4.340 0.013 0.000 0.197 224 Q C -0.093 175.987 176.000 0.133 0.000 0.964 224 Q CA 0.778 56.674 55.803 0.155 0.000 0.838 224 Q CB -0.482 28.328 28.738 0.120 0.000 0.906 224 Q HN 0.608 nan 8.270 nan 0.000 0.444 225 D N -0.013 120.470 120.400 0.139 0.000 2.749 225 D HA 0.008 4.656 4.640 0.013 0.000 0.222 225 D C 0.610 176.951 176.300 0.069 0.000 1.131 225 D CA 1.515 55.546 54.000 0.053 0.000 0.845 225 D CB -0.271 40.510 40.800 -0.031 0.000 1.196 225 D HN 0.577 nan 8.370 nan 0.000 0.503 226 G N 0.589 109.412 108.800 0.038 0.000 2.272 226 G HA2 0.002 3.970 3.960 0.013 0.000 0.280 226 G HA3 0.002 3.970 3.960 0.013 0.000 0.280 226 G C 0.347 175.280 174.900 0.055 0.000 1.067 226 G CA 0.725 45.853 45.100 0.045 0.000 0.902 226 G HN 1.116 nan 8.290 nan 0.000 0.500 227 E N -0.973 119.253 120.200 0.044 0.000 2.385 227 E HA 0.851 5.208 4.350 0.013 0.000 0.254 227 E C 1.326 177.944 176.600 0.030 0.000 1.228 227 E CA 0.126 56.550 56.400 0.040 0.000 0.956 227 E CB 0.764 30.486 29.700 0.036 0.000 1.116 227 E HN 1.999 nan 8.360 nan 0.000 0.507 228 G N -2.238 106.577 108.800 0.025 0.000 4.254 228 G HA2 0.523 4.491 3.960 0.013 0.000 0.221 228 G HA3 0.523 4.491 3.960 0.013 0.000 0.221 228 G C 0.607 175.517 174.900 0.017 0.000 0.838 228 G CA 1.106 46.218 45.100 0.020 0.000 1.093 228 G HN 2.217 nan 8.290 nan 0.000 0.761 229 A N -0.751 122.080 122.820 0.018 0.000 5.920 229 A HA 0.422 4.750 4.320 0.013 0.000 0.242 229 A C 1.579 179.171 177.584 0.013 0.000 2.290 229 A CA 1.337 53.382 52.037 0.013 0.000 0.705 229 A CB -1.584 17.422 19.000 0.010 0.000 0.960 229 A HN 2.411 nan 8.150 nan 0.000 0.345 230 S N -0.897 114.808 115.700 0.009 0.000 2.548 230 S HA 0.551 5.029 4.470 0.013 0.000 0.266 230 S C 2.097 176.703 174.600 0.010 0.000 1.374 230 S CA 2.483 60.687 58.200 0.006 0.000 0.997 230 S CB -1.129 62.074 63.200 0.004 0.000 0.855 230 S HN 2.956 nan 8.310 nan 0.000 0.534 231 T N -2.002 112.557 114.554 0.008 0.000 3.886 231 T HA 0.223 4.581 4.350 0.013 0.000 0.371 231 T C 0.606 175.318 174.700 0.020 0.000 0.760 231 T CA 1.111 63.218 62.100 0.011 0.000 1.966 231 T CB -2.555 66.321 68.868 0.013 0.000 1.793 231 T HN 2.272 nan 8.240 nan 0.000 0.798 232 F N 0.328 120.289 119.950 0.020 0.000 2.677 232 F HA 0.598 5.133 4.527 0.013 0.000 0.358 232 F C 0.986 176.811 175.800 0.042 0.000 1.266 232 F CA 0.386 58.407 58.000 0.034 0.000 1.262 232 F CB -0.861 38.158 39.000 0.032 0.000 1.684 232 F HN 1.466 nan 8.300 nan 0.000 0.671 233 R N 1.655 122.185 120.500 0.049 0.000 2.748 233 R HA 0.689 5.037 4.340 0.013 0.000 0.283 233 R C -0.339 176.020 176.300 0.098 0.000 1.507 233 R CA 0.166 56.302 56.100 0.060 0.000 1.666 233 R CB 0.358 30.681 30.300 0.038 0.000 1.237 233 R HN 2.151 nan 8.270 nan 0.000 0.633 234 A N 1.556 124.455 122.820 0.133 0.000 3.007 234 A HA 0.609 4.937 4.320 0.013 0.000 0.314 234 A C -0.916 176.791 177.584 0.205 0.000 1.153 234 A CA -0.582 51.542 52.037 0.145 0.000 0.780 234 A CB -0.056 18.994 19.000 0.084 0.000 1.258 234 A HN 1.296 nan 8.150 nan 0.000 0.460 235 F N 0.507 120.476 119.950 0.031 0.000 2.507 235 F HA 0.680 5.216 4.527 0.015 0.000 0.325 235 F C -0.703 175.111 175.800 0.023 0.000 1.116 235 F CA -1.834 56.186 58.000 0.035 0.000 0.930 235 F CB 1.008 40.040 39.000 0.053 0.000 1.146 235 F HN 0.245 nan 8.300 nan 0.000 0.447 236 N N 7.227 125.587 118.700 -0.567 0.000 2.421 236 N HA 0.215 4.963 4.740 0.013 0.000 0.260 236 N C -2.061 172.830 175.510 -1.032 0.000 1.173 236 N CA -1.214 51.489 53.050 -0.579 0.000 0.960 236 N CB 0.571 38.878 38.487 -0.300 0.000 1.273 236 N HN 0.487 nan 8.380 nan 0.000 0.497 237 P HA -0.116 nan 4.420 nan 0.000 0.244 237 P C 0.861 178.020 177.300 -0.234 0.000 1.211 237 P CA 0.754 63.512 63.100 -0.569 0.000 0.760 237 P CB 0.046 31.805 31.700 0.097 0.000 0.961 238 T N -4.455 109.944 114.554 -0.258 0.000 2.821 238 T HA 0.146 4.503 4.350 0.013 0.000 0.267 238 T C 0.952 175.577 174.700 -0.124 0.000 1.046 238 T CA 1.751 63.766 62.100 -0.142 0.000 1.139 238 T CB -0.747 68.039 68.868 -0.137 0.000 0.871 238 T HN 0.493 nan 8.240 nan 0.000 0.454 239 Q N -0.814 118.877 119.800 -0.182 0.000 2.903 239 Q HA 0.560 4.908 4.340 0.013 0.000 0.285 239 Q C -0.073 175.851 176.000 -0.126 0.000 0.883 239 Q CA -0.482 55.250 55.803 -0.118 0.000 0.903 239 Q CB -1.091 27.608 28.738 -0.065 0.000 1.679 239 Q HN 2.274 nan 8.270 nan 0.000 0.585 240 A N -0.222 122.554 122.820 -0.074 0.000 2.435 240 A HA 0.516 4.844 4.320 0.013 0.000 0.686 240 A C 0.245 177.793 177.584 -0.060 0.000 0.138 240 A CA 1.386 53.383 52.037 -0.066 0.000 0.024 240 A CB -1.752 17.200 19.000 -0.081 0.000 3.974 240 A HN 2.769 nan 8.150 nan 0.000 0.548 241 E N -0.097 120.066 120.200 -0.062 0.000 8.931 241 E HA -0.188 4.170 4.350 0.013 0.000 0.466 241 E C 0.087 176.655 176.600 -0.053 0.000 1.268 241 E CA 1.266 57.618 56.400 -0.080 0.000 2.202 241 E CB -0.309 29.315 29.700 -0.126 0.000 1.018 241 E HN 0.911 nan 8.360 nan 0.000 0.378 242 E N 0.097 120.246 120.200 -0.084 0.000 2.392 242 E HA 0.135 4.493 4.350 0.013 0.000 0.259 242 E C 1.148 177.768 176.600 0.033 0.000 1.108 242 E CA 0.458 56.807 56.400 -0.086 0.000 0.916 242 E CB 0.640 30.248 29.700 -0.153 0.000 0.989 242 E HN 0.688 nan 8.360 nan 0.000 0.432 243 T N -1.205 113.429 114.554 0.134 0.000 2.925 243 T HA -0.056 4.302 4.350 0.013 0.000 0.245 243 T C 1.093 176.083 174.700 0.484 0.000 1.025 243 T CA 0.392 62.690 62.100 0.329 0.000 1.149 243 T CB -0.335 68.758 68.868 0.374 0.000 0.866 243 T HN 0.508 nan 8.240 nan 0.000 0.437 244 Y N 2.790 123.230 120.300 0.233 0.000 2.780 244 Y HA 0.708 5.267 4.550 0.015 0.000 0.449 244 Y C 0.157 176.193 175.900 0.227 0.000 1.395 244 Y CA -1.592 56.577 58.100 0.114 0.000 1.864 244 Y CB -0.381 38.081 38.460 0.004 0.000 1.728 244 Y HN 0.324 nan 8.280 nan 0.000 0.686 245 S N -1.233 114.583 115.700 0.194 0.000 2.599 245 S HA 0.264 4.742 4.470 0.013 0.000 0.269 245 S C 0.045 174.709 174.600 0.106 0.000 1.135 245 S CA -0.934 57.339 58.200 0.122 0.000 1.027 245 S CB 0.849 64.080 63.200 0.051 0.000 1.129 245 S HN 0.581 nan 8.310 nan 0.000 0.458 246 M N 2.052 121.709 119.600 0.094 0.000 2.163 246 M HA -0.123 4.365 4.480 0.013 0.000 0.258 246 M C 2.261 178.612 176.300 0.084 0.000 1.071 246 M CA 2.006 57.383 55.300 0.128 0.000 1.093 246 M CB -1.756 30.902 32.600 0.097 0.000 1.285 246 M HN 0.742 nan 8.290 nan 0.000 0.420 247 V N 0.372 120.319 119.914 0.056 0.000 2.242 247 V HA -0.380 3.748 4.120 0.013 0.000 0.257 247 V C 2.416 178.519 176.094 0.015 0.000 1.073 247 V CA 2.750 65.072 62.300 0.037 0.000 1.058 247 V CB -1.861 29.983 31.823 0.035 0.000 0.664 247 V HN 0.534 nan 8.190 nan 0.000 0.451 248 T N -0.055 114.485 114.554 -0.024 0.000 2.746 248 T HA -0.153 4.205 4.350 0.013 0.000 0.267 248 T C 2.032 176.664 174.700 -0.114 0.000 1.039 248 T CA 1.696 63.746 62.100 -0.084 0.000 1.142 248 T CB -0.536 68.235 68.868 -0.162 0.000 0.866 248 T HN 0.646 nan 8.240 nan 0.000 0.444 249 A N 2.658 125.419 122.820 -0.098 0.000 1.834 249 A HA -0.234 4.094 4.320 0.013 0.000 0.216 249 A C 2.278 179.787 177.584 -0.126 0.000 1.203 249 A CA 1.927 53.863 52.037 -0.168 0.000 0.621 249 A CB -1.145 17.876 19.000 0.035 0.000 0.841 249 A HN 0.499 nan 8.150 nan 0.000 0.446 250 N N -0.044 118.695 118.700 0.065 0.000 2.049 250 N HA -0.313 4.435 4.740 0.013 0.000 0.198 250 N C 2.056 177.640 175.510 0.124 0.000 1.030 250 N CA 3.126 56.266 53.050 0.150 0.000 0.870 250 N CB -0.484 38.076 38.487 0.121 0.000 1.045 250 N HN 0.525 nan 8.380 nan 0.000 0.434 251 R N 0.742 121.285 120.500 0.072 0.000 2.091 251 R HA -0.145 4.202 4.340 0.013 0.000 0.238 251 R C 2.385 178.748 176.300 0.104 0.000 1.136 251 R CA 1.721 57.867 56.100 0.077 0.000 0.959 251 R CB -1.868 28.461 30.300 0.049 0.000 0.856 251 R HN 0.512 nan 8.270 nan 0.000 0.437 252 F N -0.468 119.389 119.950 -0.155 0.000 2.000 252 F HA -0.291 4.245 4.527 0.014 0.000 0.296 252 F C 2.387 178.165 175.800 -0.037 0.000 1.159 252 F CA 2.275 60.138 58.000 -0.228 0.000 1.183 252 F CB -0.375 38.286 39.000 -0.564 0.000 0.959 252 F HN 0.429 nan 8.300 nan 0.000 0.490 253 W N 0.819 122.122 121.300 0.004 0.000 2.298 253 W HA -0.363 4.303 4.660 0.010 0.000 0.328 253 W C 3.037 179.545 176.519 -0.020 0.000 1.259 253 W CA 1.243 58.546 57.345 -0.071 0.000 1.251 253 W CB -1.348 28.150 29.460 0.065 0.000 1.161 253 W HN 0.264 nan 8.180 nan 0.000 0.466 254 S N 0.621 116.503 115.700 0.304 0.000 2.393 254 S HA -0.390 4.088 4.470 0.013 0.000 0.234 254 S C 1.474 176.137 174.600 0.105 0.000 1.064 254 S CA 2.116 60.425 58.200 0.183 0.000 1.088 254 S CB -1.042 62.243 63.200 0.142 0.000 0.939 254 S HN 0.530 nan 8.310 nan 0.000 0.448 255 Q N 0.012 119.847 119.800 0.059 0.000 2.444 255 Q HA 0.357 4.705 4.340 0.013 0.000 0.206 255 Q C 1.669 177.655 176.000 -0.023 0.000 0.948 255 Q CA 0.513 56.325 55.803 0.015 0.000 0.946 255 Q CB -0.025 28.719 28.738 0.010 0.000 1.027 255 Q HN 0.672 nan 8.270 nan 0.000 0.513 256 I N -1.800 118.760 120.570 -0.018 0.000 3.523 256 I HA -0.032 4.146 4.170 0.013 0.000 0.244 256 I C 1.341 177.520 176.117 0.104 0.000 1.110 256 I CA 0.340 61.628 61.300 -0.020 0.000 1.517 256 I CB 0.008 37.906 38.000 -0.171 0.000 1.505 256 I HN 0.091 nan 8.210 nan 0.000 0.460 257 F N 1.555 121.508 119.950 0.005 0.000 2.530 257 F HA 0.259 4.784 4.527 -0.005 0.000 0.292 257 F C 1.422 177.210 175.800 -0.021 0.000 1.109 257 F CA 0.978 58.959 58.000 -0.032 0.000 1.450 257 F CB 0.659 39.597 39.000 -0.104 0.000 1.114 257 F HN 0.237 nan 8.300 nan 0.000 0.560 258 G N 1.881 110.758 108.800 0.128 0.000 2.140 258 G HA2 -0.219 3.749 3.960 0.013 0.000 0.211 258 G HA3 -0.219 3.749 3.960 0.013 0.000 0.211 258 G C -0.187 174.770 174.900 0.095 0.000 1.013 258 G CA 0.098 45.219 45.100 0.035 0.000 0.705 258 G HN 0.372 nan 8.290 nan 0.000 0.508 259 I N -0.539 120.171 120.570 0.233 0.000 2.715 259 I HA 0.492 4.670 4.170 0.013 0.000 0.278 259 I C -0.313 175.946 176.117 0.237 0.000 1.388 259 I CA -0.130 61.302 61.300 0.221 0.000 1.129 259 I CB 1.644 39.781 38.000 0.228 0.000 1.422 259 I HN 0.561 nan 8.210 nan 0.000 0.436 260 A N 6.374 129.355 122.820 0.268 0.000 2.943 260 A HA 0.523 4.851 4.320 0.013 0.000 0.327 260 A C -1.078 176.705 177.584 0.332 0.000 1.141 260 A CA -0.264 51.981 52.037 0.345 0.000 0.773 260 A CB 0.290 19.568 19.000 0.462 0.000 1.143 260 A HN 0.549 nan 8.150 nan 0.000 0.463 261 F N 2.628 122.661 119.950 0.139 0.000 2.399 261 F HA 0.457 4.991 4.527 0.012 0.000 0.342 261 F C 1.187 177.101 175.800 0.190 0.000 1.106 261 F CA 0.680 58.770 58.000 0.149 0.000 1.196 261 F CB 1.148 40.245 39.000 0.161 0.000 1.163 261 F HN 0.580 nan 8.300 nan 0.000 0.547 262 S N 3.173 118.627 115.700 -0.409 0.000 2.646 262 S HA 0.385 4.863 4.470 0.013 0.000 0.273 262 S C -0.619 173.853 174.600 -0.214 0.000 1.168 262 S CA -0.480 57.573 58.200 -0.245 0.000 1.013 262 S CB 0.677 63.693 63.200 -0.306 0.000 1.098 262 S HN 0.798 nan 8.310 nan 0.000 0.544 263 N N 0.152 118.828 118.700 -0.041 0.000 2.825 263 N HA -0.099 4.648 4.740 0.013 0.000 0.253 263 N C 0.190 175.866 175.510 0.276 0.000 1.097 263 N CA 0.691 53.806 53.050 0.109 0.000 0.673 263 N CB -1.719 36.857 38.487 0.149 0.000 0.923 263 N HN 0.732 nan 8.380 nan 0.000 0.561 264 K N 0.083 120.642 120.400 0.265 0.000 2.184 264 K HA -0.309 4.019 4.320 0.013 0.000 0.210 264 K C 2.136 178.984 176.600 0.412 0.000 1.048 264 K CA 2.209 58.726 56.287 0.383 0.000 0.931 264 K CB -0.210 32.494 32.500 0.340 0.000 0.718 264 K HN 0.670 nan 8.250 nan 0.000 0.465 265 R N 0.838 121.514 120.500 0.294 0.000 2.377 265 R HA -0.137 4.211 4.340 0.013 0.000 0.207 265 R C 1.330 177.889 176.300 0.431 0.000 1.075 265 R CA 1.528 57.792 56.100 0.274 0.000 1.035 265 R CB -1.544 28.863 30.300 0.178 0.000 0.857 265 R HN 0.697 nan 8.270 nan 0.000 0.475 266 W N -1.222 120.238 121.300 0.267 0.000 3.283 266 W HA 0.141 4.809 4.660 0.014 0.000 0.235 266 W C 1.043 177.752 176.519 0.317 0.000 1.123 266 W CA -0.008 57.527 57.345 0.317 0.000 1.534 266 W CB 0.474 30.165 29.460 0.385 0.000 0.839 266 W HN 0.186 nan 8.180 nan 0.000 0.734 267 L N 0.706 122.034 121.223 0.176 0.000 2.131 267 L HA -0.211 4.136 4.340 0.013 0.000 0.210 267 L C 1.630 178.323 176.870 -0.294 0.000 1.092 267 L CA 1.407 56.170 54.840 -0.127 0.000 0.759 267 L CB -0.773 41.217 42.059 -0.116 0.000 0.903 267 L HN 0.010 nan 8.230 nan 0.000 0.435 268 H N -2.536 116.520 119.070 -0.023 0.000 2.553 268 H HA -0.012 4.553 4.556 0.015 0.000 0.265 268 H C 1.417 176.740 175.328 -0.008 0.000 0.964 268 H CA 0.300 56.324 56.048 -0.040 0.000 1.156 268 H CB 0.223 29.992 29.762 0.011 0.000 1.411 268 H HN 0.197 nan 8.280 nan 0.000 0.558 269 F N -0.715 119.215 119.950 -0.033 0.000 2.317 269 F HA 0.040 4.576 4.527 0.014 0.000 0.290 269 F C 1.803 177.502 175.800 -0.169 0.000 1.075 269 F CA 0.165 58.133 58.000 -0.054 0.000 1.380 269 F CB -0.374 38.649 39.000 0.038 0.000 1.093 269 F HN 0.078 nan 8.300 nan 0.000 0.524 270 F N 0.882 120.456 119.950 -0.626 0.000 2.202 270 F HA -0.220 4.313 4.527 0.011 0.000 0.301 270 F C 2.129 177.663 175.800 -0.443 0.000 1.082 270 F CA 1.772 59.351 58.000 -0.702 0.000 1.313 270 F CB -0.322 38.179 39.000 -0.831 0.000 1.024 270 F HN -0.053 nan 8.300 nan 0.000 0.495 271 M N -0.774 118.683 119.600 -0.239 0.000 2.394 271 M HA -0.135 4.353 4.480 0.013 0.000 0.264 271 M C 2.138 178.288 176.300 -0.250 0.000 1.073 271 M CA 1.147 56.315 55.300 -0.220 0.000 1.111 271 M CB -0.262 32.201 32.600 -0.228 0.000 1.401 271 M HN 0.368 nan 8.290 nan 0.000 0.448 272 L N -0.858 120.161 121.223 -0.340 0.000 2.200 272 L HA -0.039 4.309 4.340 0.013 0.000 0.200 272 L C 2.317 178.951 176.870 -0.393 0.000 1.072 272 L CA 0.701 55.360 54.840 -0.302 0.000 0.787 272 L CB -0.306 41.596 42.059 -0.261 0.000 0.957 272 L HN 0.095 nan 8.230 nan 0.000 0.459 273 F N 0.424 119.888 119.950 -0.810 0.000 2.063 273 F HA -0.332 4.202 4.527 0.011 0.000 0.298 273 F C 2.103 177.635 175.800 -0.448 0.000 1.105 273 F CA 2.424 60.024 58.000 -0.667 0.000 1.215 273 F CB -0.532 37.998 39.000 -0.784 0.000 0.972 273 F HN -0.092 nan 8.300 nan 0.000 0.483 274 V N 0.911 120.623 119.914 -0.337 0.000 2.215 274 V HA -0.312 3.816 4.120 0.013 0.000 0.246 274 V C -0.120 175.809 176.094 -0.274 0.000 1.047 274 V CA 2.828 64.950 62.300 -0.297 0.000 0.999 274 V CB -2.063 29.582 31.823 -0.296 0.000 0.635 274 V HN 0.228 nan 8.190 nan 0.000 0.450 275 P HA -0.106 nan 4.420 nan 0.000 0.215 275 P C 1.931 179.142 177.300 -0.149 0.000 1.157 275 P CA 1.434 64.437 63.100 -0.161 0.000 0.868 275 P CB -0.149 31.478 31.700 -0.121 0.000 0.788 276 V N -0.315 119.507 119.914 -0.153 0.000 2.231 276 V HA -0.333 3.795 4.120 0.013 0.000 0.250 276 V C 2.290 178.392 176.094 0.013 0.000 1.058 276 V CA 2.851 65.124 62.300 -0.046 0.000 1.022 276 V CB -1.902 29.864 31.823 -0.095 0.000 0.640 276 V HN 0.215 nan 8.190 nan 0.000 0.445 277 T N 0.426 114.795 114.554 -0.307 0.000 2.555 277 T HA -0.207 4.151 4.350 0.013 0.000 0.264 277 T C 1.941 176.570 174.700 -0.119 0.000 1.083 277 T CA 1.949 63.832 62.100 -0.362 0.000 1.179 277 T CB -1.157 67.174 68.868 -0.894 0.000 0.863 277 T HN 0.648 nan 8.240 nan 0.000 0.412 278 G N 1.525 110.219 108.800 -0.177 0.000 2.596 278 G HA2 -0.255 3.713 3.960 0.013 0.000 0.223 278 G HA3 -0.255 3.713 3.960 0.013 0.000 0.223 278 G C 1.480 176.321 174.900 -0.097 0.000 1.120 278 G CA 1.101 46.121 45.100 -0.133 0.000 0.752 278 G HN 0.493 nan 8.290 nan 0.000 0.596 279 L N -1.953 119.217 121.223 -0.088 0.000 2.156 279 L HA 0.046 4.394 4.340 0.013 0.000 0.208 279 L C 2.702 179.482 176.870 -0.151 0.000 1.095 279 L CA 0.643 55.398 54.840 -0.141 0.000 0.770 279 L CB -0.354 41.579 42.059 -0.210 0.000 0.914 279 L HN 0.302 nan 8.230 nan 0.000 0.439 280 W N -0.406 120.848 121.300 -0.077 0.000 2.418 280 W HA -0.121 4.546 4.660 0.012 0.000 0.292 280 W C 2.635 179.174 176.519 0.033 0.000 1.213 280 W CA 0.534 57.865 57.345 -0.023 0.000 1.283 280 W CB -0.133 29.296 29.460 -0.052 0.000 1.119 280 W HN 0.007 nan 8.180 nan 0.000 0.542 281 M N 0.204 119.921 119.600 0.196 0.000 2.066 281 M HA -0.192 4.296 4.480 0.013 0.000 0.259 281 M C 2.382 178.821 176.300 0.232 0.000 1.074 281 M CA 2.257 57.626 55.300 0.116 0.000 1.114 281 M CB -2.237 30.301 32.600 -0.104 0.000 1.306 281 M HN 0.119 nan 8.290 nan 0.000 0.411 282 S N 0.552 116.303 115.700 0.085 0.000 2.465 282 S HA -0.071 4.407 4.470 0.013 0.000 0.241 282 S C 1.998 176.726 174.600 0.212 0.000 1.000 282 S CA 1.243 59.513 58.200 0.117 0.000 0.964 282 S CB -0.648 62.508 63.200 -0.073 0.000 0.763 282 S HN 0.436 nan 8.310 nan 0.000 0.512 283 A N 1.944 124.843 122.820 0.133 0.000 1.897 283 A HA 0.185 4.512 4.320 0.013 0.000 0.215 283 A C 2.178 179.861 177.584 0.165 0.000 1.181 283 A CA 1.181 53.262 52.037 0.074 0.000 0.620 283 A CB -0.697 18.225 19.000 -0.130 0.000 0.821 283 A HN 0.589 nan 8.150 nan 0.000 0.443 284 I N -0.058 120.672 120.570 0.267 0.000 2.163 284 I HA -0.229 3.949 4.170 0.013 0.000 0.243 284 I C 2.760 178.903 176.117 0.044 0.000 1.085 284 I CA 1.074 62.493 61.300 0.198 0.000 1.347 284 I CB -0.949 37.300 38.000 0.416 0.000 1.044 284 I HN 0.390 nan 8.210 nan 0.000 0.408 285 G N 1.061 110.009 108.800 0.247 0.000 2.703 285 G HA2 -0.294 3.674 3.960 0.013 0.000 0.222 285 G HA3 -0.294 3.674 3.960 0.013 0.000 0.222 285 G C 1.632 176.764 174.900 0.388 0.000 1.183 285 G CA 1.695 46.970 45.100 0.291 0.000 0.775 285 G HN 0.303 nan 8.290 nan 0.000 0.615 286 V N 0.372 120.549 119.914 0.437 0.000 2.591 286 V HA -0.097 4.030 4.120 0.013 0.000 0.249 286 V C 2.995 179.151 176.094 0.104 0.000 1.053 286 V CA 1.221 63.658 62.300 0.230 0.000 1.068 286 V CB -0.004 31.954 31.823 0.224 0.000 0.689 286 V HN 0.270 nan 8.190 nan 0.000 0.462 287 V N 1.360 121.322 119.914 0.079 0.000 2.568 287 V HA -0.196 3.932 4.120 0.013 0.000 0.253 287 V C 2.523 178.600 176.094 -0.029 0.000 1.072 287 V CA 2.067 64.384 62.300 0.029 0.000 1.084 287 V CB -1.472 30.366 31.823 0.026 0.000 0.676 287 V HN 0.601 nan 8.190 nan 0.000 0.469 288 G N 0.123 108.889 108.800 -0.057 0.000 2.424 288 G HA2 -0.152 3.816 3.960 0.013 0.000 0.214 288 G HA3 -0.152 3.816 3.960 0.013 0.000 0.214 288 G C 1.427 176.254 174.900 -0.121 0.000 1.202 288 G CA 0.521 45.559 45.100 -0.104 0.000 0.793 288 G HN 0.485 nan 8.290 nan 0.000 0.534 289 L N 1.225 122.361 121.223 -0.144 0.000 2.549 289 L HA -0.022 4.326 4.340 0.013 0.000 0.230 289 L C 3.133 179.783 176.870 -0.367 0.000 1.162 289 L CA 0.439 55.089 54.840 -0.317 0.000 0.834 289 L CB -0.332 41.397 42.059 -0.550 0.000 0.947 289 L HN 0.318 nan 8.230 nan 0.000 0.452 290 A N -0.190 122.489 122.820 -0.235 0.000 2.015 290 A HA -0.036 4.292 4.320 0.013 0.000 0.219 290 A C 1.596 178.984 177.584 -0.327 0.000 1.163 290 A CA 1.091 52.921 52.037 -0.344 0.000 0.646 290 A CB -0.141 18.771 19.000 -0.148 0.000 0.806 290 A HN 0.352 nan 8.150 nan 0.000 0.448 291 L N -0.237 120.854 121.223 -0.220 0.000 3.017 291 L HA 0.297 4.645 4.340 0.013 0.000 0.255 291 L C 0.360 177.140 176.870 -0.149 0.000 1.247 291 L CA -0.055 54.685 54.840 -0.168 0.000 1.038 291 L CB -0.342 41.649 42.059 -0.113 0.000 1.380 291 L HN 0.299 nan 8.230 nan 0.000 0.548 292 N N -0.200 118.387 118.700 -0.188 0.000 2.690 292 N HA -0.240 4.508 4.740 0.013 0.000 0.249 292 N C 0.167 175.632 175.510 -0.075 0.000 1.125 292 N CA 0.804 53.780 53.050 -0.123 0.000 0.794 292 N CB -0.831 37.597 38.487 -0.099 0.000 1.152 292 N HN 0.329 nan 8.380 nan 0.000 0.571 293 L N 1.544 122.717 121.223 -0.083 0.000 2.456 293 L HA 0.104 4.452 4.340 0.013 0.000 0.277 293 L C 1.457 178.312 176.870 -0.025 0.000 1.124 293 L CA 0.347 55.160 54.840 -0.044 0.000 0.880 293 L CB 0.298 42.327 42.059 -0.051 0.000 1.192 293 L HN 0.197 nan 8.230 nan 0.000 0.463 294 R N 1.424 121.938 120.500 0.023 0.000 3.147 294 R HA 0.604 4.952 4.340 0.013 0.000 0.139 294 R C -0.101 176.266 176.300 0.111 0.000 0.919 294 R CA -0.819 55.325 56.100 0.073 0.000 0.577 294 R CB 0.434 30.782 30.300 0.081 0.000 0.955 294 R HN 0.246 nan 8.270 nan 0.000 0.377 295 S N -1.213 114.575 115.700 0.147 0.000 3.541 295 S HA 0.142 4.620 4.470 0.013 0.000 0.180 295 S C -0.577 174.111 174.600 0.147 0.000 0.887 295 S CA 0.046 58.311 58.200 0.107 0.000 1.264 295 S CB -0.401 62.853 63.200 0.091 0.000 0.873 295 S HN 0.580 nan 8.310 nan 0.000 0.809 296 Y N 2.737 123.028 120.300 -0.015 0.000 3.617 296 Y HA -0.305 4.252 4.550 0.013 0.000 0.215 296 Y C -1.059 174.855 175.900 0.023 0.000 1.178 296 Y CA 1.125 59.212 58.100 -0.021 0.000 1.517 296 Y CB -1.628 36.811 38.460 -0.034 0.000 1.457 296 Y HN 0.602 nan 8.280 nan 0.000 0.615 297 D N -3.186 117.207 120.400 -0.011 0.000 2.104 297 D HA 0.087 4.735 4.640 0.013 0.000 0.144 297 D C -0.104 176.233 176.300 0.062 0.000 1.137 297 D CA -0.635 53.407 54.000 0.072 0.000 1.014 297 D CB -0.943 39.917 40.800 0.101 0.000 2.540 297 D HN -0.121 nan 8.370 nan 0.000 0.548 298 F N 1.707 121.705 119.950 0.079 0.000 2.206 298 F HA 0.227 4.761 4.527 0.011 0.000 0.298 298 F C 2.118 177.903 175.800 -0.024 0.000 1.090 298 F CA 1.145 59.116 58.000 -0.049 0.000 1.323 298 F CB -0.189 38.636 39.000 -0.292 0.000 1.028 298 F HN 0.657 nan 8.300 nan 0.000 0.492 299 I N -1.895 118.781 120.570 0.177 0.000 4.152 299 I HA -0.444 3.734 4.170 0.013 0.000 0.107 299 I C 1.748 177.899 176.117 0.057 0.000 0.454 299 I CA 0.876 62.238 61.300 0.103 0.000 1.240 299 I CB -1.478 36.574 38.000 0.086 0.000 1.101 299 I HN 0.130 nan 8.210 nan 0.000 0.179 300 S N 0.119 115.843 115.700 0.041 0.000 2.461 300 S HA -0.008 4.470 4.470 0.013 0.000 0.228 300 S C 1.477 176.040 174.600 -0.062 0.000 1.005 300 S CA 1.182 59.367 58.200 -0.026 0.000 0.942 300 S CB 0.122 63.285 63.200 -0.060 0.000 0.776 300 S HN 0.701 nan 8.310 nan 0.000 0.514 301 Q N 0.224 120.001 119.800 -0.038 0.000 2.378 301 Q HA 0.241 4.589 4.340 0.013 0.000 0.229 301 Q C 1.560 177.593 176.000 0.055 0.000 0.882 301 Q CA 0.188 55.973 55.803 -0.030 0.000 0.936 301 Q CB 0.175 28.919 28.738 0.011 0.000 1.092 301 Q HN 0.614 nan 8.270 nan 0.000 0.535 302 E N 0.550 120.814 120.200 0.106 0.000 2.418 302 E HA -0.062 4.296 4.350 0.013 0.000 0.197 302 E C 1.505 178.130 176.600 0.043 0.000 1.026 302 E CA 0.501 56.978 56.400 0.127 0.000 0.862 302 E CB 0.278 30.062 29.700 0.141 0.000 0.799 302 E HN 0.347 nan 8.360 nan 0.000 0.518 303 I N 0.303 120.870 120.570 -0.005 0.000 2.385 303 I HA -0.166 4.012 4.170 0.013 0.000 0.244 303 I C 2.886 178.943 176.117 -0.100 0.000 1.089 303 I CA 0.838 62.115 61.300 -0.038 0.000 1.410 303 I CB -0.211 37.766 38.000 -0.039 0.000 1.117 303 I HN 0.020 nan 8.210 nan 0.000 0.429 304 R N 1.057 121.447 120.500 -0.183 0.000 2.193 304 R HA 0.052 4.400 4.340 0.013 0.000 0.229 304 R C 2.035 178.077 176.300 -0.430 0.000 1.110 304 R CA 1.429 57.322 56.100 -0.345 0.000 0.988 304 R CB -1.485 28.504 30.300 -0.519 0.000 0.871 304 R HN 0.535 nan 8.270 nan 0.000 0.458 305 A N -0.303 122.374 122.820 -0.238 0.000 2.132 305 A HA 0.553 4.880 4.320 0.013 0.000 0.213 305 A C 2.429 180.028 177.584 0.026 0.000 1.154 305 A CA 0.832 52.854 52.037 -0.024 0.000 0.753 305 A CB -0.074 19.081 19.000 0.259 0.000 0.826 305 A HN 0.787 nan 8.150 nan 0.000 0.469 306 A N -0.353 122.461 122.820 -0.009 0.000 2.251 306 A HA 0.125 4.453 4.320 0.013 0.000 0.209 306 A C 1.712 179.290 177.584 -0.010 0.000 1.187 306 A CA 1.140 53.180 52.037 0.004 0.000 0.823 306 A CB -0.188 18.814 19.000 0.003 0.000 0.846 306 A HN 0.650 nan 8.150 nan 0.000 0.486 307 E N -0.453 119.725 120.200 -0.036 0.000 2.256 307 E HA -0.024 4.334 4.350 0.013 0.000 0.198 307 E C -0.575 176.012 176.600 -0.021 0.000 0.908 307 E CA 0.083 56.462 56.400 -0.036 0.000 0.915 307 E CB 0.151 29.814 29.700 -0.063 0.000 0.890 307 E HN 0.252 nan 8.360 nan 0.000 0.484 308 D N 1.589 121.973 120.400 -0.026 0.000 2.479 308 D HA 0.164 4.812 4.640 0.013 0.000 0.218 308 D C -2.046 174.309 176.300 0.092 0.000 1.131 308 D CA -2.381 51.636 54.000 0.029 0.000 0.916 308 D CB 1.635 42.450 40.800 0.025 0.000 1.022 308 D HN 0.052 nan 8.370 nan 0.000 0.515 309 P HA -0.016 nan 4.420 nan 0.000 0.239 309 P C -0.084 177.259 177.300 0.071 0.000 1.184 309 P CA 0.667 63.805 63.100 0.063 0.000 0.760 309 P CB 0.326 32.046 31.700 0.034 0.000 0.884 310 E N -1.220 119.033 120.200 0.088 0.000 2.609 310 E HA 0.152 4.510 4.350 0.013 0.000 0.208 310 E C -0.553 176.123 176.600 0.127 0.000 1.013 310 E CA -0.421 56.022 56.400 0.071 0.000 1.093 310 E CB -0.092 29.636 29.700 0.047 0.000 1.129 310 E HN 0.255 nan 8.360 nan 0.000 0.450 311 F N 1.522 121.462 119.950 -0.016 0.000 2.443 311 F HA 0.358 4.894 4.527 0.015 0.000 0.335 311 F C -0.342 175.447 175.800 -0.019 0.000 1.104 311 F CA -0.535 57.456 58.000 -0.015 0.000 1.013 311 F CB 1.210 40.206 39.000 -0.005 0.000 1.136 311 F HN -0.153 nan 8.300 nan 0.000 0.470 312 E N 3.776 123.584 120.200 -0.653 0.000 2.415 312 E HA 0.261 4.619 4.350 0.013 0.000 0.302 312 E C -1.637 174.654 176.600 -0.515 0.000 0.907 312 E CA -0.543 55.585 56.400 -0.453 0.000 0.798 312 E CB 1.458 31.003 29.700 -0.259 0.000 1.315 312 E HN 0.680 nan 8.360 nan 0.000 0.396 313 T N 0.285 114.600 114.554 -0.398 0.000 2.907 313 T HA 0.384 4.742 4.350 0.013 0.000 0.292 313 T C 0.576 175.205 174.700 -0.118 0.000 1.043 313 T CA -0.720 61.234 62.100 -0.244 0.000 1.003 313 T CB 0.646 69.440 68.868 -0.123 0.000 1.084 313 T HN 0.327 nan 8.240 nan 0.000 0.483 314 F N 0.321 120.273 119.950 0.002 0.000 2.481 314 F HA -0.003 4.536 4.527 0.020 0.000 0.297 314 F C 1.871 177.713 175.800 0.069 0.000 1.095 314 F CA 0.992 59.005 58.000 0.021 0.000 1.465 314 F CB -0.496 38.521 39.000 0.028 0.000 1.098 314 F HN 0.788 nan 8.300 nan 0.000 0.585 315 Y N 0.799 121.172 120.300 0.122 0.000 2.243 315 Y HA -0.198 4.359 4.550 0.012 0.000 0.293 315 Y C 2.711 178.637 175.900 0.042 0.000 1.124 315 Y CA 1.745 59.916 58.100 0.118 0.000 1.159 315 Y CB -0.702 37.870 38.460 0.187 0.000 1.008 315 Y HN 0.079 nan 8.280 nan 0.000 0.527 316 T N -1.707 112.878 114.554 0.051 0.000 2.904 316 T HA -0.116 4.242 4.350 0.013 0.000 0.267 316 T C 1.688 176.302 174.700 -0.144 0.000 1.059 316 T CA 1.405 63.447 62.100 -0.096 0.000 1.137 316 T CB -0.334 68.562 68.868 0.047 0.000 0.879 316 T HN 0.334 nan 8.240 nan 0.000 0.467 317 K N 1.341 121.684 120.400 -0.096 0.000 2.026 317 K HA -0.078 4.250 4.320 0.013 0.000 0.208 317 K C 2.332 178.883 176.600 -0.081 0.000 1.048 317 K CA 1.626 57.865 56.287 -0.080 0.000 0.929 317 K CB -0.361 32.105 32.500 -0.056 0.000 0.713 317 K HN 0.311 nan 8.250 nan 0.000 0.439 318 N N 1.402 120.059 118.700 -0.073 0.000 2.205 318 N HA -0.152 4.596 4.740 0.013 0.000 0.186 318 N C 1.806 177.226 175.510 -0.150 0.000 1.015 318 N CA 0.951 53.953 53.050 -0.080 0.000 0.862 318 N CB -0.367 38.087 38.487 -0.055 0.000 0.986 318 N HN 0.132 nan 8.380 nan 0.000 0.429 319 L N 0.290 121.341 121.223 -0.286 0.000 2.131 319 L HA -0.074 4.274 4.340 0.013 0.000 0.210 319 L C 2.081 178.867 176.870 -0.139 0.000 1.092 319 L CA 0.660 55.301 54.840 -0.331 0.000 0.759 319 L CB -0.166 41.570 42.059 -0.538 0.000 0.903 319 L HN 0.180 nan 8.230 nan 0.000 0.435 320 L N -0.965 120.188 121.223 -0.117 0.000 2.044 320 L HA -0.212 4.136 4.340 0.013 0.000 0.205 320 L C 2.429 179.258 176.870 -0.068 0.000 1.075 320 L CA 1.031 55.827 54.840 -0.073 0.000 0.747 320 L CB -0.302 41.718 42.059 -0.065 0.000 0.903 320 L HN 0.247 nan 8.230 nan 0.000 0.435 321 L N -0.406 120.773 121.223 -0.073 0.000 1.989 321 L HA -0.273 4.075 4.340 0.013 0.000 0.211 321 L C 2.323 179.136 176.870 -0.096 0.000 1.071 321 L CA 1.277 56.069 54.840 -0.080 0.000 0.749 321 L CB -0.961 41.059 42.059 -0.064 0.000 0.890 321 L HN 0.318 nan 8.230 nan 0.000 0.431 322 N N 0.347 119.001 118.700 -0.076 0.000 2.133 322 N HA -0.246 4.502 4.740 0.013 0.000 0.193 322 N C 1.708 177.087 175.510 -0.218 0.000 1.012 322 N CA 1.753 54.738 53.050 -0.108 0.000 0.871 322 N CB -0.275 38.263 38.487 0.085 0.000 1.011 322 N HN 0.518 nan 8.380 nan 0.000 0.435 323 E N -0.977 119.141 120.200 -0.137 0.000 2.230 323 E HA 0.081 4.439 4.350 0.013 0.000 0.192 323 E C 2.035 178.548 176.600 -0.146 0.000 0.987 323 E CA 0.659 56.955 56.400 -0.173 0.000 0.841 323 E CB -0.136 29.515 29.700 -0.082 0.000 0.783 323 E HN 0.386 nan 8.360 nan 0.000 0.481 324 G N 1.384 110.129 108.800 -0.093 0.000 2.408 324 G HA2 -0.194 3.773 3.960 0.013 0.000 0.217 324 G HA3 -0.194 3.773 3.960 0.013 0.000 0.217 324 G C 1.597 176.487 174.900 -0.017 0.000 1.150 324 G CA 0.364 45.456 45.100 -0.013 0.000 0.776 324 G HN 0.104 nan 8.290 nan 0.000 0.542 325 I N -0.004 120.479 120.570 -0.146 0.000 2.252 325 I HA -0.130 4.048 4.170 0.013 0.000 0.245 325 I C 3.017 178.986 176.117 -0.246 0.000 1.102 325 I CA 0.864 62.063 61.300 -0.168 0.000 1.385 325 I CB -0.218 37.654 38.000 -0.215 0.000 1.064 325 I HN 0.074 nan 8.210 nan 0.000 0.414 326 R N 0.778 120.996 120.500 -0.470 0.000 2.073 326 R HA -0.123 4.225 4.340 0.013 0.000 0.234 326 R C 2.518 178.589 176.300 -0.382 0.000 1.134 326 R CA 1.570 57.283 56.100 -0.646 0.000 0.952 326 R CB -0.465 29.269 30.300 -0.944 0.000 0.850 326 R HN 0.362 nan 8.270 nan 0.000 0.433 327 A N 0.216 122.837 122.820 -0.331 0.000 1.877 327 A HA -0.176 4.151 4.320 0.013 0.000 0.216 327 A C 1.669 178.962 177.584 -0.485 0.000 1.186 327 A CA 1.284 53.021 52.037 -0.500 0.000 0.620 327 A CB -0.735 18.039 19.000 -0.376 0.000 0.822 327 A HN 0.415 nan 8.150 nan 0.000 0.443 328 W N -1.026 120.097 121.300 -0.296 0.000 2.481 328 W HA 0.103 4.772 4.660 0.015 0.000 0.293 328 W C 2.466 178.907 176.519 -0.130 0.000 1.201 328 W CA 1.012 58.245 57.345 -0.186 0.000 1.328 328 W CB -0.469 28.914 29.460 -0.127 0.000 1.112 328 W HN 0.284 nan 8.180 nan 0.000 0.546 329 M N 0.641 120.307 119.600 0.109 0.000 2.132 329 M HA -0.070 4.418 4.480 0.013 0.000 0.263 329 M C 1.969 178.302 176.300 0.055 0.000 1.065 329 M CA 1.877 57.226 55.300 0.082 0.000 1.122 329 M CB -0.818 31.822 32.600 0.066 0.000 1.365 329 M HN -0.020 nan 8.290 nan 0.000 0.411 330 A N 1.675 124.484 122.820 -0.018 0.000 3.052 330 A HA -0.254 4.074 4.320 0.013 0.000 0.233 330 A C -0.895 176.667 177.584 -0.037 0.000 0.739 330 A CA 1.935 53.934 52.037 -0.064 0.000 1.203 330 A CB -2.513 16.387 19.000 -0.167 0.000 0.692 330 A HN 0.380 nan 8.150 nan 0.000 0.482 331 P HA -0.205 nan 4.420 nan 0.000 0.222 331 P C 1.238 178.577 177.300 0.066 0.000 1.139 331 P CA 1.800 64.914 63.100 0.022 0.000 0.794 331 P CB -0.072 31.757 31.700 0.214 0.000 0.750 332 Q N -1.744 118.098 119.800 0.069 0.000 2.165 332 Q HA -0.080 4.268 4.340 0.013 0.000 0.197 332 Q C 1.786 177.839 176.000 0.088 0.000 0.952 332 Q CA 0.856 56.706 55.803 0.079 0.000 0.848 332 Q CB -0.683 28.111 28.738 0.093 0.000 0.931 332 Q HN 0.394 nan 8.270 nan 0.000 0.470 333 D N 1.303 121.763 120.400 0.101 0.000 2.096 333 D HA -0.141 4.507 4.640 0.013 0.000 0.200 333 D C 0.380 176.769 176.300 0.147 0.000 0.980 333 D CA 1.609 55.692 54.000 0.138 0.000 0.860 333 D CB 0.406 41.318 40.800 0.186 0.000 1.005 333 D HN 0.200 nan 8.370 nan 0.000 0.449 334 Q N 0.512 120.410 119.800 0.164 0.000 2.506 334 Q HA 0.385 4.733 4.340 0.013 0.000 0.242 334 Q C -2.186 173.896 176.000 0.136 0.000 1.060 334 Q CA -1.391 54.553 55.803 0.234 0.000 0.826 334 Q CB 1.239 30.225 28.738 0.414 0.000 1.169 334 Q HN 0.160 nan 8.270 nan 0.000 0.521 335 P HA -0.182 nan 4.420 nan 0.000 0.234 335 P C 1.137 178.450 177.300 0.023 0.000 1.162 335 P CA 0.754 63.873 63.100 0.032 0.000 0.759 335 P CB 0.090 31.757 31.700 -0.056 0.000 0.813 336 H N 1.081 120.085 119.070 -0.111 0.000 2.437 336 H HA -0.158 4.406 4.556 0.013 0.000 0.296 336 H C 0.285 175.590 175.328 -0.038 0.000 1.121 336 H CA 1.476 57.432 56.048 -0.154 0.000 1.255 336 H CB 0.205 29.857 29.762 -0.184 0.000 1.366 336 H HN 0.283 nan 8.280 nan 0.000 0.512 337 E N -1.538 118.841 120.200 0.299 0.000 2.445 337 E HA 0.447 4.805 4.350 0.013 0.000 0.273 337 E C -0.499 176.188 176.600 0.145 0.000 0.961 337 E CA -0.512 56.018 56.400 0.217 0.000 0.807 337 E CB 0.608 30.483 29.700 0.291 0.000 1.362 337 E HN 0.335 nan 8.360 nan 0.000 0.453 338 N N 0.897 119.563 118.700 -0.057 0.000 2.455 338 N HA 0.489 5.237 4.740 0.013 0.000 0.280 338 N C -1.478 173.902 175.510 -0.216 0.000 1.055 338 N CA -0.306 52.700 53.050 -0.072 0.000 0.961 338 N CB 0.422 38.833 38.487 -0.127 0.000 1.121 338 N HN 0.326 nan 8.380 nan 0.000 0.476 339 F N 1.219 121.092 119.950 -0.129 0.000 2.579 339 F HA 0.489 5.024 4.527 0.014 0.000 0.325 339 F C -0.216 175.446 175.800 -0.230 0.000 1.162 339 F CA -0.656 57.192 58.000 -0.255 0.000 0.946 339 F CB 2.452 41.377 39.000 -0.125 0.000 1.211 339 F HN 0.336 nan 8.300 nan 0.000 0.447 340 V N 5.211 125.003 119.914 -0.204 0.000 2.462 340 V HA 0.195 4.323 4.120 0.013 0.000 0.257 340 V C -0.571 175.454 176.094 -0.116 0.000 0.944 340 V CA -0.692 61.551 62.300 -0.095 0.000 0.903 340 V CB -0.067 31.707 31.823 -0.082 0.000 1.128 340 V HN 0.486 nan 8.190 nan 0.000 0.486 341 F N 3.218 123.179 119.950 0.018 0.000 2.516 341 F HA 0.290 4.826 4.527 0.014 0.000 0.351 341 F C -1.227 174.519 175.800 -0.089 0.000 1.208 341 F CA -1.478 56.498 58.000 -0.040 0.000 1.073 341 F CB -0.171 38.786 39.000 -0.072 0.000 1.203 341 F HN 0.240 nan 8.300 nan 0.000 0.602 342 P HA -0.067 nan 4.420 nan 0.000 0.269 342 P C 0.592 177.880 177.300 -0.020 0.000 1.211 342 P CA 0.200 63.307 63.100 0.012 0.000 0.781 342 P CB 0.638 32.338 31.700 -0.001 0.000 0.877 343 E N 0.064 120.238 120.200 -0.042 0.000 2.483 343 E HA -0.195 4.162 4.350 0.013 0.000 0.205 343 E C -0.055 176.502 176.600 -0.072 0.000 1.075 343 E CA 1.136 57.492 56.400 -0.073 0.000 0.889 343 E CB -0.615 29.064 29.700 -0.035 0.000 0.816 343 E HN 0.501 nan 8.360 nan 0.000 0.567 344 E N -0.137 120.034 120.200 -0.050 0.000 2.201 344 E HA 0.104 4.462 4.350 0.013 0.000 0.272 344 E C -0.395 176.165 176.600 -0.065 0.000 1.228 344 E CA -0.137 56.241 56.400 -0.037 0.000 1.305 344 E CB 0.651 30.344 29.700 -0.012 0.000 1.381 344 E HN -0.032 nan 8.360 nan 0.000 0.475 345 V N 1.459 121.285 119.914 -0.147 0.000 3.177 345 V HA 0.117 4.245 4.120 0.013 0.000 0.342 345 V C 1.099 177.068 176.094 -0.208 0.000 1.379 345 V CA 0.722 62.844 62.300 -0.298 0.000 1.191 345 V CB -0.487 30.941 31.823 -0.659 0.000 1.167 345 V HN 0.629 nan 8.190 nan 0.000 0.471 346 L N -3.095 118.114 121.223 -0.023 0.000 4.339 346 L HA -0.096 4.252 4.340 0.013 0.000 0.405 346 L C -0.010 176.999 176.870 0.230 0.000 0.854 346 L CA 1.279 56.169 54.840 0.084 0.000 1.908 346 L CB -2.910 39.182 42.059 0.055 0.000 1.652 346 L HN 0.457 nan 8.230 nan 0.000 0.560 347 P HA 0.888 nan 4.420 nan 0.000 0.206 347 P C 0.947 178.313 177.300 0.111 0.000 1.093 347 P CA 3.529 66.800 63.100 0.285 0.000 0.703 347 P CB 0.011 31.912 31.700 0.335 0.000 0.622 348 R N -3.375 117.173 120.500 0.080 0.000 1.067 348 R HA 0.439 4.787 4.340 0.013 0.000 0.430 348 R C 1.259 177.568 176.300 0.015 0.000 1.313 348 R CA 0.761 56.884 56.100 0.038 0.000 0.711 348 R CB -2.279 28.037 30.300 0.027 0.000 2.623 348 R HN 2.520 nan 8.270 nan 0.000 0.523 349 G N -0.603 108.205 108.800 0.013 0.000 4.045 349 G HA2 0.376 4.344 3.960 0.013 0.000 0.261 349 G HA3 0.376 4.344 3.960 0.013 0.000 0.261 349 G C 0.729 175.629 174.900 0.001 0.000 1.772 349 G CA 1.518 46.619 45.100 0.001 0.000 1.264 349 G HN 2.665 nan 8.290 nan 0.000 0.609 350 N N 0.000 118.695 118.700 -0.008 0.000 1.763 350 N HA 0.000 4.748 4.740 0.013 0.000 0.220 350 N CA 0.000 53.044 53.050 -0.010 0.000 0.885 350 N CB 0.000 38.473 38.487 -0.024 0.000 1.341 350 N HN 0.000 nan 8.380 nan 0.000 0.667