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 3pgy_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSYITKQDKV IAEAIEREFQ RQNSNIELIA SENFVSEAVM EAQGSVLTNK DATA SEQUENCE YAEGYPGRRY YGGCEFVDVT ESIAIDRAKA LFGAEHVNVQ PHSGPQANMA DATA SEQUENCE VYLVALEMGD TVLGMNLSHX XXXXXXAPVN FSGKFYNFVE YGVDKDTERI DATA SEQUENCE NYDEVRKLAL EHKPKLIVAG ASAYSRTIDF KKFKEIADEV NAKLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVEYADFV TTTTHKTLRG PRGGMILCKE EYKKDIDKTI DATA SEQUENCE FPGIQGGPLE HVIAAKAVAF GEALENNFKT YQQQVVKNAK VLAEALINEG DATA SEQUENCE FRIVSGGTDN HLVAVDVKGS IGLTGKEAEE TLDSVGITCN KNTIPFDQEK DATA SEQUENCE PFVTSGIRLG TPAATTRGFD EKAFEEVAKI ISLALKNSKD EEKLQQAKER DATA SEQUENCE VAKLTAEYPL Y 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 0.000 176.290 176.300 -0.016 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.015 0.000 0.988 1 M CB 0.000 32.577 32.600 -0.038 0.000 1.302 2 S N -0.496 115.170 115.700 -0.056 0.000 2.383 2 S HA -0.071 4.402 4.470 0.005 0.000 0.227 2 S C 1.717 176.214 174.600 -0.171 0.000 1.026 2 S CA 1.189 59.300 58.200 -0.148 0.000 0.981 2 S CB -0.491 62.558 63.200 -0.252 0.000 0.818 2 S HN 0.475 nan 8.310 nan 0.000 0.472 3 Y N 1.281 121.566 120.300 -0.026 0.000 2.220 3 Y HA 0.187 4.740 4.550 0.005 0.000 0.291 3 Y C 2.345 178.232 175.900 -0.020 0.000 1.129 3 Y CA 0.840 58.927 58.100 -0.023 0.000 1.161 3 Y CB -0.390 38.055 38.460 -0.025 0.000 0.997 3 Y HN 0.269 nan 8.280 nan 0.000 0.522 4 I N -0.727 119.921 120.570 0.131 0.000 2.315 4 I HA -0.286 3.887 4.170 0.005 0.000 0.248 4 I C 1.949 178.086 176.117 0.033 0.000 1.117 4 I CA 1.479 62.819 61.300 0.066 0.000 1.404 4 I CB -0.177 37.849 38.000 0.044 0.000 1.071 4 I HN 0.201 nan 8.210 nan 0.000 0.419 5 T N 0.620 115.181 114.554 0.012 0.000 2.746 5 T HA -0.227 4.126 4.350 0.005 0.000 0.267 5 T C 1.790 176.486 174.700 -0.007 0.000 1.039 5 T CA 1.818 63.916 62.100 -0.005 0.000 1.142 5 T CB -0.176 68.678 68.868 -0.022 0.000 0.866 5 T HN 0.292 nan 8.240 nan 0.000 0.444 6 K N 1.250 121.641 120.400 -0.015 0.000 2.057 6 K HA -0.094 4.229 4.320 0.005 0.000 0.207 6 K C 2.308 178.913 176.600 0.009 0.000 1.049 6 K CA 1.511 57.789 56.287 -0.015 0.000 0.931 6 K CB -0.138 32.342 32.500 -0.033 0.000 0.714 6 K HN 0.403 nan 8.250 nan 0.000 0.440 7 Q N -1.082 118.735 119.800 0.028 0.000 2.297 7 Q HA -0.031 4.312 4.340 0.005 0.000 0.203 7 Q C -0.317 175.696 176.000 0.021 0.000 0.931 7 Q CA 0.885 56.707 55.803 0.031 0.000 0.885 7 Q CB 0.603 29.371 28.738 0.051 0.000 0.991 7 Q HN 0.188 nan 8.270 nan 0.000 0.498 8 D N 0.404 120.816 120.400 0.020 0.000 2.621 8 D HA 0.114 4.757 4.640 0.005 0.000 0.274 8 D C -0.018 176.290 176.300 0.013 0.000 1.215 8 D CA -0.103 53.906 54.000 0.015 0.000 0.810 8 D CB 0.704 41.513 40.800 0.016 0.000 1.248 8 D HN 0.115 nan 8.370 nan 0.000 0.517 9 K N 0.671 121.077 120.400 0.010 0.000 2.113 9 K HA -0.136 4.187 4.320 0.005 0.000 0.208 9 K C 1.657 178.264 176.600 0.011 0.000 1.047 9 K CA 1.263 57.555 56.287 0.009 0.000 0.928 9 K CB 0.215 32.719 32.500 0.006 0.000 0.716 9 K HN 0.231 nan 8.250 nan 0.000 0.446 10 V N 1.297 121.218 119.914 0.011 0.000 2.343 10 V HA -0.224 3.899 4.120 0.005 0.000 0.247 10 V C 2.071 178.174 176.094 0.015 0.000 1.051 10 V CA 1.530 63.838 62.300 0.012 0.000 1.036 10 V CB -0.242 31.587 31.823 0.010 0.000 0.654 10 V HN 0.308 nan 8.190 nan 0.000 0.451 11 I N 0.700 121.279 120.570 0.014 0.000 2.252 11 I HA -0.121 4.052 4.170 0.005 0.000 0.245 11 I C 2.830 178.958 176.117 0.019 0.000 1.102 11 I CA 1.790 63.099 61.300 0.016 0.000 1.385 11 I CB -1.896 36.112 38.000 0.013 0.000 1.064 11 I HN 0.404 nan 8.210 nan 0.000 0.414 12 A N 0.734 123.565 122.820 0.018 0.000 1.908 12 A HA -0.226 4.097 4.320 0.005 0.000 0.218 12 A C 2.261 179.860 177.584 0.025 0.000 1.181 12 A CA 1.716 53.764 52.037 0.018 0.000 0.627 12 A CB -0.628 18.379 19.000 0.013 0.000 0.818 12 A HN 0.474 nan 8.150 nan 0.000 0.445 13 E N -0.364 119.850 120.200 0.024 0.000 2.051 13 E HA -0.114 4.239 4.350 0.005 0.000 0.192 13 E C 2.375 178.998 176.600 0.038 0.000 0.991 13 E CA 1.025 57.443 56.400 0.029 0.000 0.799 13 E CB -0.319 29.395 29.700 0.023 0.000 0.748 13 E HN 0.614 nan 8.360 nan 0.000 0.449 14 A N 1.128 123.968 122.820 0.033 0.000 1.908 14 A HA -0.196 4.127 4.320 0.005 0.000 0.218 14 A C 2.185 179.801 177.584 0.052 0.000 1.181 14 A CA 1.216 53.276 52.037 0.038 0.000 0.627 14 A CB -0.643 18.375 19.000 0.030 0.000 0.818 14 A HN 0.161 nan 8.150 nan 0.000 0.445 15 I N -0.766 119.834 120.570 0.050 0.000 2.226 15 I HA -0.234 3.939 4.170 0.005 0.000 0.245 15 I C 2.569 178.748 176.117 0.103 0.000 1.100 15 I CA 1.765 63.103 61.300 0.063 0.000 1.374 15 I CB -0.280 37.743 38.000 0.038 0.000 1.057 15 I HN 0.419 nan 8.210 nan 0.000 0.413 16 E N 1.560 121.817 120.200 0.094 0.000 2.077 16 E HA -0.220 4.134 4.350 0.005 0.000 0.193 16 E C 2.232 178.928 176.600 0.161 0.000 0.989 16 E CA 1.574 58.061 56.400 0.145 0.000 0.800 16 E CB -0.090 29.670 29.700 0.101 0.000 0.746 16 E HN 0.272 nan 8.360 nan 0.000 0.452 17 R N -0.039 120.519 120.500 0.097 0.000 2.096 17 R HA -0.146 4.198 4.340 0.005 0.000 0.235 17 R C 2.319 178.661 176.300 0.070 0.000 1.127 17 R CA 1.448 57.589 56.100 0.068 0.000 0.968 17 R CB -0.309 30.018 30.300 0.046 0.000 0.861 17 R HN 0.191 nan 8.270 nan 0.000 0.440 18 E N 0.889 121.147 120.200 0.097 0.000 2.051 18 E HA -0.211 4.142 4.350 0.005 0.000 0.192 18 E C 1.581 178.268 176.600 0.146 0.000 0.991 18 E CA 1.233 57.698 56.400 0.108 0.000 0.799 18 E CB -0.375 29.392 29.700 0.112 0.000 0.748 18 E HN 0.235 nan 8.360 nan 0.000 0.449 19 F N 1.314 121.299 119.950 0.058 0.000 2.091 19 F HA -0.231 4.299 4.527 0.005 0.000 0.299 19 F C 2.014 177.857 175.800 0.072 0.000 1.103 19 F CA 1.929 59.971 58.000 0.070 0.000 1.228 19 F CB -0.479 38.543 39.000 0.036 0.000 0.984 19 F HN 0.076 nan 8.300 nan 0.000 0.477 20 Q N 0.328 119.973 119.800 -0.258 0.000 2.119 20 Q HA -0.184 4.159 4.340 0.005 0.000 0.201 20 Q C 2.479 178.359 176.000 -0.200 0.000 0.972 20 Q CA 1.487 57.094 55.803 -0.327 0.000 0.847 20 Q CB -0.656 28.012 28.738 -0.117 0.000 0.903 20 Q HN 0.518 nan 8.270 nan 0.000 0.433 21 R N 0.873 121.324 120.500 -0.082 0.000 2.075 21 R HA -0.126 4.218 4.340 0.005 0.000 0.232 21 R C 2.075 178.369 176.300 -0.010 0.000 1.126 21 R CA 1.243 57.327 56.100 -0.026 0.000 0.963 21 R CB 0.069 30.381 30.300 0.019 0.000 0.858 21 R HN 0.316 nan 8.270 nan 0.000 0.435 22 Q N -0.010 119.799 119.800 0.015 0.000 2.096 22 Q HA -0.214 4.129 4.340 0.005 0.000 0.204 22 Q C 1.840 177.822 176.000 -0.032 0.000 0.982 22 Q CA 2.006 57.870 55.803 0.101 0.000 0.850 22 Q CB -0.200 28.686 28.738 0.247 0.000 0.901 22 Q HN 0.360 nan 8.270 nan 0.000 0.422 23 N N -0.067 118.497 118.700 -0.227 0.000 2.171 23 N HA -0.127 4.616 4.740 0.005 0.000 0.184 23 N C 1.657 177.095 175.510 -0.120 0.000 1.021 23 N CA 1.618 54.511 53.050 -0.261 0.000 0.854 23 N CB 0.010 38.209 38.487 -0.479 0.000 0.994 23 N HN 0.174 nan 8.380 nan 0.000 0.426 24 S N -1.803 113.837 115.700 -0.101 0.000 2.496 24 S HA 0.133 4.606 4.470 0.005 0.000 0.224 24 S C 0.251 174.851 174.600 0.001 0.000 0.996 24 S CA -0.249 57.925 58.200 -0.043 0.000 0.927 24 S CB -0.320 62.853 63.200 -0.046 0.000 0.774 24 S HN 0.230 nan 8.310 nan 0.000 0.524 25 N N 0.457 119.166 118.700 0.015 0.000 2.466 25 N HA 0.546 5.289 4.740 0.005 0.000 0.294 25 N C -1.212 174.334 175.510 0.060 0.000 1.129 25 N CA -0.603 52.471 53.050 0.039 0.000 0.931 25 N CB 1.328 39.840 38.487 0.042 0.000 1.193 25 N HN 0.153 nan 8.380 nan 0.000 0.500 26 I N 1.649 122.254 120.570 0.058 0.000 2.306 26 I HA 0.152 4.325 4.170 0.005 0.000 0.288 26 I C -0.421 175.712 176.117 0.026 0.000 1.036 26 I CA -0.512 60.811 61.300 0.038 0.000 1.221 26 I CB 0.624 38.661 38.000 0.061 0.000 1.385 26 I HN 0.355 nan 8.210 nan 0.000 0.472 27 E N 7.214 127.435 120.200 0.035 0.000 2.129 27 E HA 0.214 4.567 4.350 0.005 0.000 0.283 27 E C -0.082 176.518 176.600 -0.001 0.000 1.080 27 E CA 0.175 56.591 56.400 0.026 0.000 0.867 27 E CB 0.530 30.249 29.700 0.032 0.000 1.056 27 E HN 0.525 nan 8.360 nan 0.000 0.404 28 L N 3.666 124.900 121.223 0.018 0.000 3.141 28 L HA 0.292 4.635 4.340 0.005 0.000 0.267 28 L C -0.330 176.552 176.870 0.021 0.000 1.281 28 L CA -0.465 54.397 54.840 0.038 0.000 1.037 28 L CB 0.161 42.261 42.059 0.067 0.000 1.407 28 L HN 0.465 nan 8.230 nan 0.000 0.566 29 I N 1.490 122.065 120.570 0.010 0.000 2.421 29 I HA 0.111 4.284 4.170 0.005 0.000 0.291 29 I C 1.684 177.821 176.117 0.034 0.000 1.089 29 I CA 0.334 61.645 61.300 0.017 0.000 1.354 29 I CB 0.309 38.318 38.000 0.014 0.000 1.413 29 I HN 0.359 nan 8.210 nan 0.000 0.513 30 A N 6.592 129.433 122.820 0.035 0.000 2.619 30 A HA -0.344 3.979 4.320 0.005 0.000 0.274 30 A C 1.861 179.533 177.584 0.147 0.000 2.799 30 A CA 2.867 54.935 52.037 0.052 0.000 1.019 30 A CB -1.309 17.732 19.000 0.069 0.000 0.480 30 A HN 0.669 nan 8.150 nan 0.000 0.391 31 S N 0.333 116.167 115.700 0.223 0.000 2.540 31 S HA 0.195 4.668 4.470 0.005 0.000 0.218 31 S C 0.337 174.996 174.600 0.099 0.000 0.977 31 S CA -0.024 58.336 58.200 0.266 0.000 0.918 31 S CB 0.032 63.468 63.200 0.394 0.000 0.806 31 S HN 0.591 nan 8.310 nan 0.000 0.496 32 E N 2.699 122.934 120.200 0.057 0.000 2.410 32 E HA 0.301 4.655 4.350 0.005 0.000 0.255 32 E C 0.174 176.714 176.600 -0.100 0.000 1.194 32 E CA 0.173 56.570 56.400 -0.004 0.000 0.955 32 E CB 0.314 30.000 29.700 -0.024 0.000 0.988 32 E HN 0.126 nan 8.360 nan 0.000 0.461 33 N N -0.753 117.832 118.700 -0.191 0.000 3.179 33 N HA 0.329 5.072 4.740 0.005 0.000 0.250 33 N C -1.792 173.468 175.510 -0.416 0.000 1.507 33 N CA -0.540 52.355 53.050 -0.258 0.000 0.883 33 N CB 0.709 39.192 38.487 -0.007 0.000 1.435 33 N HN 0.134 nan 8.380 nan 0.000 0.532 34 F N 1.065 121.057 119.950 0.069 0.000 2.427 34 F HA 0.373 4.903 4.527 0.005 0.000 0.348 34 F C 0.732 176.595 175.800 0.104 0.000 1.125 34 F CA -0.838 57.214 58.000 0.087 0.000 0.989 34 F CB 1.181 40.148 39.000 -0.056 0.000 1.165 34 F HN 0.143 nan 8.300 nan 0.000 0.442 35 V N 0.573 120.696 119.914 0.348 0.000 3.083 35 V HA 0.685 4.808 4.120 0.005 0.000 0.306 35 V C 0.359 176.642 176.094 0.315 0.000 1.077 35 V CA -0.783 61.665 62.300 0.246 0.000 1.073 35 V CB 1.182 33.104 31.823 0.165 0.000 1.081 35 V HN 0.811 nan 8.190 nan 0.000 0.474 36 S N 1.478 117.298 115.700 0.199 0.000 2.614 36 S HA 0.275 4.748 4.470 0.005 0.000 0.265 36 S C 0.767 175.462 174.600 0.157 0.000 1.303 36 S CA -0.136 58.181 58.200 0.196 0.000 1.000 36 S CB 0.912 64.174 63.200 0.103 0.000 0.935 36 S HN 0.830 nan 8.310 nan 0.000 0.551 37 E N 1.069 121.350 120.200 0.134 0.000 2.106 37 E HA -0.116 4.237 4.350 0.005 0.000 0.192 37 E C 2.382 178.988 176.600 0.011 0.000 0.984 37 E CA 1.286 57.704 56.400 0.030 0.000 0.806 37 E CB -0.772 28.939 29.700 0.018 0.000 0.750 37 E HN 0.809 nan 8.360 nan 0.000 0.458 38 A N 1.355 124.189 122.820 0.025 0.000 1.892 38 A HA -0.184 4.140 4.320 0.005 0.000 0.218 38 A C 2.637 180.219 177.584 -0.003 0.000 1.188 38 A CA 1.686 53.727 52.037 0.007 0.000 0.631 38 A CB -0.881 18.124 19.000 0.009 0.000 0.822 38 A HN 0.130 nan 8.150 nan 0.000 0.447 39 V N -0.086 119.831 119.914 0.005 0.000 2.287 39 V HA -0.370 3.753 4.120 0.005 0.000 0.248 39 V C 2.678 178.765 176.094 -0.012 0.000 1.053 39 V CA 2.447 64.741 62.300 -0.009 0.000 1.027 39 V CB -0.721 31.107 31.823 0.008 0.000 0.646 39 V HN 0.595 nan 8.190 nan 0.000 0.447 40 M N -0.791 118.805 119.600 -0.006 0.000 2.108 40 M HA -0.228 4.255 4.480 0.005 0.000 0.261 40 M C 2.213 178.498 176.300 -0.025 0.000 1.066 40 M CA 1.893 57.179 55.300 -0.024 0.000 1.107 40 M CB -0.568 31.997 32.600 -0.059 0.000 1.356 40 M HN 0.397 nan 8.290 nan 0.000 0.406 41 E N 0.302 120.486 120.200 -0.026 0.000 2.110 41 E HA -0.177 4.176 4.350 0.005 0.000 0.193 41 E C 2.071 178.663 176.600 -0.012 0.000 0.988 41 E CA 1.258 57.645 56.400 -0.022 0.000 0.804 41 E CB -0.144 29.543 29.700 -0.022 0.000 0.745 41 E HN 0.523 nan 8.360 nan 0.000 0.458 42 A N 1.237 124.050 122.820 -0.012 0.000 1.898 42 A HA -0.218 4.105 4.320 0.005 0.000 0.216 42 A C 2.065 179.664 177.584 0.025 0.000 1.181 42 A CA 1.167 53.202 52.037 -0.004 0.000 0.620 42 A CB -0.335 18.651 19.000 -0.023 0.000 0.819 42 A HN 0.156 nan 8.150 nan 0.000 0.442 43 Q N -0.861 118.950 119.800 0.018 0.000 2.124 43 Q HA -0.109 4.234 4.340 0.005 0.000 0.202 43 Q C 1.798 177.865 176.000 0.111 0.000 0.977 43 Q CA 1.170 57.010 55.803 0.060 0.000 0.850 43 Q CB -0.355 28.391 28.738 0.013 0.000 0.901 43 Q HN 0.654 nan 8.270 nan 0.000 0.429 44 G N 1.182 110.004 108.800 0.037 0.000 3.210 44 G HA2 0.009 3.973 3.960 0.005 0.000 0.220 44 G HA3 0.009 3.973 3.960 0.005 0.000 0.220 44 G C 0.349 175.239 174.900 -0.017 0.000 1.200 44 G CA 0.153 45.256 45.100 0.006 0.000 0.834 44 G HN 0.273 nan 8.290 nan 0.000 0.524 45 S N -0.968 114.732 115.700 -0.000 0.000 2.713 45 S HA 0.308 4.781 4.470 0.005 0.000 0.283 45 S C 1.539 176.104 174.600 -0.059 0.000 1.161 45 S CA 0.019 58.206 58.200 -0.023 0.000 0.999 45 S CB 1.558 64.758 63.200 0.000 0.000 1.039 45 S HN 0.546 nan 8.310 nan 0.000 0.548 46 V N -0.583 119.295 119.914 -0.059 0.000 3.330 46 V HA -0.004 4.119 4.120 0.005 0.000 0.273 46 V C 1.630 177.686 176.094 -0.064 0.000 1.179 46 V CA 0.985 63.241 62.300 -0.072 0.000 1.174 46 V CB -1.441 30.348 31.823 -0.056 0.000 0.794 46 V HN 0.687 nan 8.190 nan 0.000 0.527 47 L N 0.882 122.085 121.223 -0.033 0.000 2.353 47 L HA -0.074 4.269 4.340 0.005 0.000 0.220 47 L C 2.743 179.577 176.870 -0.060 0.000 1.133 47 L CA 2.242 57.089 54.840 0.010 0.000 0.798 47 L CB -1.434 40.675 42.059 0.083 0.000 0.922 47 L HN 0.524 nan 8.230 nan 0.000 0.445 48 T N -0.699 113.663 114.554 -0.319 0.000 2.849 48 T HA -0.173 4.181 4.350 0.005 0.000 0.270 48 T C 1.696 176.260 174.700 -0.227 0.000 1.066 48 T CA 1.469 63.203 62.100 -0.610 0.000 1.130 48 T CB -0.221 68.154 68.868 -0.822 0.000 0.864 48 T HN 0.367 nan 8.240 nan 0.000 0.481 49 N N 0.652 119.280 118.700 -0.120 0.000 2.463 49 N HA 0.044 4.787 4.740 0.005 0.000 0.181 49 N C 0.525 176.045 175.510 0.016 0.000 1.078 49 N CA 0.392 53.413 53.050 -0.048 0.000 0.902 49 N CB -0.019 38.445 38.487 -0.037 0.000 0.970 49 N HN 0.300 nan 8.380 nan 0.000 0.451 50 K N 0.849 121.265 120.400 0.027 0.000 2.285 50 K HA 0.072 4.396 4.320 0.005 0.000 0.286 50 K C -1.226 175.436 176.600 0.104 0.000 1.072 50 K CA -0.443 55.891 56.287 0.079 0.000 0.913 50 K CB -0.175 32.367 32.500 0.070 0.000 1.067 50 K HN -0.005 nan 8.250 nan 0.000 0.479 51 Y N 3.191 123.499 120.300 0.014 0.000 2.404 51 Y HA 0.406 4.959 4.550 0.005 0.000 0.344 51 Y C -0.153 175.721 175.900 -0.043 0.000 0.995 51 Y CA -0.068 58.018 58.100 -0.023 0.000 1.201 51 Y CB 0.745 39.216 38.460 0.018 0.000 1.151 51 Y HN 0.672 nan 8.280 nan 0.000 0.517 52 A N 5.805 128.436 122.820 -0.315 0.000 2.992 52 A HA 0.236 4.560 4.320 0.005 0.000 0.263 52 A C -0.262 177.028 177.584 -0.490 0.000 0.928 52 A CA -0.574 51.315 52.037 -0.246 0.000 1.061 52 A CB -0.278 18.643 19.000 -0.131 0.000 1.173 52 A HN 0.826 nan 8.150 nan 0.000 0.482 53 E N 0.441 120.172 120.200 -0.782 0.000 2.502 53 E HA 0.327 4.680 4.350 0.005 0.000 0.261 53 E C 0.977 177.124 176.600 -0.754 0.000 0.974 53 E CA 1.529 57.284 56.400 -1.075 0.000 0.936 53 E CB 0.495 29.542 29.700 -1.088 0.000 0.926 53 E HN 1.066 nan 8.360 nan 0.000 0.459 54 G N 1.825 109.928 108.800 -1.162 0.000 2.500 54 G HA2 -0.217 3.746 3.960 0.005 0.000 0.209 54 G HA3 -0.217 3.746 3.960 0.005 0.000 0.209 54 G C -1.495 173.057 174.900 -0.580 0.000 1.283 54 G CA -0.731 44.124 45.100 -0.408 0.000 0.960 54 G HN 0.425 nan 8.290 nan 0.000 0.528 55 Y N -0.162 120.184 120.300 0.076 0.000 2.602 55 Y HA 0.625 5.178 4.550 0.005 0.000 0.342 55 Y C -1.987 173.942 175.900 0.049 0.000 1.029 55 Y CA -1.923 56.211 58.100 0.057 0.000 1.080 55 Y CB 1.892 40.416 38.460 0.107 0.000 1.284 55 Y HN 0.425 nan 8.280 nan 0.000 0.485 56 P HA 0.092 nan 4.420 nan 0.000 0.264 56 P C 0.554 177.915 177.300 0.102 0.000 1.193 56 P CA 1.912 65.077 63.100 0.109 0.000 0.763 56 P CB 0.427 32.185 31.700 0.098 0.000 0.810 57 G N 3.206 112.041 108.800 0.059 0.000 2.184 57 G HA2 -0.313 3.650 3.960 0.005 0.000 0.264 57 G HA3 -0.313 3.650 3.960 0.005 0.000 0.264 57 G C 0.392 175.321 174.900 0.049 0.000 0.975 57 G CA -0.094 45.031 45.100 0.042 0.000 0.642 57 G HN 0.606 nan 8.290 nan 0.000 0.536 58 R N -0.044 120.506 120.500 0.083 0.000 2.647 58 R HA 0.264 4.607 4.340 0.005 0.000 0.295 58 R C 0.233 176.594 176.300 0.101 0.000 1.267 58 R CA -0.805 55.344 56.100 0.083 0.000 1.386 58 R CB 0.691 31.082 30.300 0.151 0.000 1.309 58 R HN 0.111 nan 8.270 nan 0.000 0.692 59 R N -0.017 120.520 120.500 0.061 0.000 2.528 59 R HA 0.217 4.561 4.340 0.005 0.000 0.271 59 R C 0.470 176.832 176.300 0.104 0.000 1.056 59 R CA -0.234 55.939 56.100 0.122 0.000 1.117 59 R CB 0.624 30.974 30.300 0.083 0.000 1.085 59 R HN 0.275 nan 8.270 nan 0.000 0.530 60 Y N -0.504 119.853 120.300 0.095 0.000 2.479 60 Y HA 0.105 4.658 4.550 0.005 0.000 0.283 60 Y C 0.215 176.363 175.900 0.413 0.000 1.109 60 Y CA 0.452 58.678 58.100 0.210 0.000 1.239 60 Y CB 0.393 38.968 38.460 0.191 0.000 1.108 60 Y HN 0.333 nan 8.280 nan 0.000 0.548 61 Y N 0.431 120.881 120.300 0.251 0.000 2.387 61 Y HA 0.542 5.095 4.550 0.005 0.000 0.336 61 Y C 0.753 176.710 175.900 0.095 0.000 1.067 61 Y CA -1.992 56.207 58.100 0.165 0.000 1.114 61 Y CB 0.807 39.408 38.460 0.235 0.000 1.208 61 Y HN -0.063 nan 8.280 nan 0.000 0.458 62 G N 0.205 109.096 108.800 0.152 0.000 2.535 62 G HA2 0.427 4.390 3.960 0.005 0.000 0.282 62 G HA3 0.427 4.390 3.960 0.005 0.000 0.282 62 G C 0.639 175.579 174.900 0.066 0.000 1.350 62 G CA -0.276 44.867 45.100 0.072 0.000 1.039 62 G HN 1.279 nan 8.290 nan 0.000 0.509 63 G N -2.854 105.958 108.800 0.019 0.000 2.147 63 G HA2 -0.255 3.708 3.960 0.005 0.000 0.244 63 G HA3 -0.255 3.708 3.960 0.005 0.000 0.244 63 G C 0.709 175.616 174.900 0.010 0.000 1.005 63 G CA 0.462 45.571 45.100 0.015 0.000 0.713 63 G HN 0.893 nan 8.290 nan 0.000 0.515 64 C N 0.013 119.303 119.300 -0.017 0.000 2.780 64 C HA 0.331 4.795 4.460 0.005 0.000 0.287 64 C C 2.195 177.117 174.990 -0.114 0.000 1.288 64 C CA 0.537 59.543 59.018 -0.021 0.000 1.713 64 C CB -0.554 27.192 27.740 0.009 0.000 1.955 64 C HN 0.756 nan 8.230 nan 0.000 0.613 65 E N 0.940 120.975 120.200 -0.274 0.000 2.086 65 E HA -0.240 4.113 4.350 0.005 0.000 0.200 65 E C 1.134 177.423 176.600 -0.519 0.000 1.012 65 E CA 1.869 57.958 56.400 -0.518 0.000 0.812 65 E CB -0.027 29.120 29.700 -0.922 0.000 0.743 65 E HN 0.694 nan 8.360 nan 0.000 0.453 66 F N -0.305 119.656 119.950 0.018 0.000 2.387 66 F HA -0.031 4.499 4.527 0.005 0.000 0.294 66 F C 2.296 178.105 175.800 0.015 0.000 1.093 66 F CA 0.710 58.718 58.000 0.015 0.000 1.420 66 F CB -0.601 38.406 39.000 0.011 0.000 1.086 66 F HN -0.017 nan 8.300 nan 0.000 0.531 67 V N -2.248 117.746 119.914 0.135 0.000 2.759 67 V HA -0.154 3.969 4.120 0.005 0.000 0.256 67 V C 1.652 177.774 176.094 0.047 0.000 1.080 67 V CA 1.748 64.096 62.300 0.081 0.000 1.101 67 V CB -0.697 31.160 31.823 0.057 0.000 0.698 67 V HN 0.089 nan 8.190 nan 0.000 0.477 68 D N 0.977 121.390 120.400 0.021 0.000 2.144 68 D HA -0.100 4.543 4.640 0.005 0.000 0.199 68 D C 2.249 178.571 176.300 0.036 0.000 0.984 68 D CA 1.539 55.549 54.000 0.017 0.000 0.834 68 D CB -0.288 40.503 40.800 -0.016 0.000 0.955 68 D HN 0.421 nan 8.370 nan 0.000 0.465 69 V N 1.156 121.102 119.914 0.053 0.000 2.261 69 V HA -0.256 3.867 4.120 0.005 0.000 0.246 69 V C 2.749 178.885 176.094 0.069 0.000 1.047 69 V CA 2.331 64.676 62.300 0.074 0.000 1.015 69 V CB -1.027 30.872 31.823 0.128 0.000 0.642 69 V HN 0.396 nan 8.190 nan 0.000 0.446 70 T N -1.612 112.985 114.554 0.073 0.000 2.746 70 T HA -0.269 4.084 4.350 0.005 0.000 0.267 70 T C 1.769 176.494 174.700 0.041 0.000 1.039 70 T CA 1.831 63.961 62.100 0.050 0.000 1.142 70 T CB -0.398 68.496 68.868 0.044 0.000 0.866 70 T HN 0.578 nan 8.240 nan 0.000 0.444 71 E N 0.964 121.190 120.200 0.044 0.000 2.077 71 E HA -0.111 4.242 4.350 0.005 0.000 0.193 71 E C 2.366 179.006 176.600 0.066 0.000 0.989 71 E CA 1.218 57.648 56.400 0.048 0.000 0.800 71 E CB -0.220 29.508 29.700 0.046 0.000 0.746 71 E HN 0.546 nan 8.360 nan 0.000 0.452 72 S N 0.332 116.069 115.700 0.062 0.000 2.382 72 S HA -0.113 4.360 4.470 0.005 0.000 0.228 72 S C 1.898 176.536 174.600 0.063 0.000 1.027 72 S CA 0.935 59.172 58.200 0.062 0.000 0.991 72 S CB -0.167 63.064 63.200 0.053 0.000 0.823 72 S HN 0.290 nan 8.310 nan 0.000 0.469 73 I N 1.644 122.251 120.570 0.062 0.000 2.252 73 I HA -0.189 3.984 4.170 0.005 0.000 0.245 73 I C 2.673 178.852 176.117 0.102 0.000 1.102 73 I CA 0.987 62.327 61.300 0.065 0.000 1.385 73 I CB -0.473 37.558 38.000 0.052 0.000 1.064 73 I HN 0.256 nan 8.210 nan 0.000 0.414 74 A N 1.142 124.028 122.820 0.110 0.000 1.883 74 A HA -0.199 4.124 4.320 0.005 0.000 0.217 74 A C 2.295 180.055 177.584 0.293 0.000 1.186 74 A CA 1.639 53.801 52.037 0.209 0.000 0.624 74 A CB -0.852 18.207 19.000 0.099 0.000 0.822 74 A HN 0.373 nan 8.150 nan 0.000 0.444 75 I N -0.172 120.493 120.570 0.159 0.000 2.179 75 I HA -0.249 3.924 4.170 0.005 0.000 0.242 75 I C 1.964 178.116 176.117 0.058 0.000 1.088 75 I CA 1.611 62.967 61.300 0.093 0.000 1.357 75 I CB -0.463 37.565 38.000 0.047 0.000 1.051 75 I HN 0.247 nan 8.210 nan 0.000 0.409 76 D N 0.674 121.109 120.400 0.059 0.000 2.117 76 D HA -0.146 4.498 4.640 0.005 0.000 0.197 76 D C 2.367 178.676 176.300 0.016 0.000 0.987 76 D CA 1.223 55.242 54.000 0.031 0.000 0.829 76 D CB -0.223 40.597 40.800 0.034 0.000 0.961 76 D HN 0.295 nan 8.370 nan 0.000 0.460 77 R N 0.553 121.086 120.500 0.056 0.000 2.092 77 R HA 0.051 4.394 4.340 0.005 0.000 0.231 77 R C 2.274 178.499 176.300 -0.124 0.000 1.119 77 R CA 1.012 57.126 56.100 0.024 0.000 0.970 77 R CB -0.179 30.204 30.300 0.139 0.000 0.864 77 R HN 0.080 nan 8.270 nan 0.000 0.440 78 A N 1.651 124.379 122.820 -0.154 0.000 1.902 78 A HA -0.183 4.140 4.320 0.005 0.000 0.217 78 A C 1.878 179.377 177.584 -0.141 0.000 1.181 78 A CA 1.331 53.157 52.037 -0.352 0.000 0.623 78 A CB -0.233 18.615 19.000 -0.253 0.000 0.818 78 A HN 0.184 nan 8.150 nan 0.000 0.443 79 K N -0.377 119.980 120.400 -0.072 0.000 2.097 79 K HA -0.060 4.264 4.320 0.005 0.000 0.206 79 K C 2.238 178.793 176.600 -0.075 0.000 1.049 79 K CA 1.074 57.337 56.287 -0.041 0.000 0.933 79 K CB -0.284 32.203 32.500 -0.021 0.000 0.717 79 K HN 0.454 nan 8.250 nan 0.000 0.442 80 A N 1.095 123.852 122.820 -0.106 0.000 1.969 80 A HA -0.082 4.241 4.320 0.005 0.000 0.218 80 A C 2.053 179.518 177.584 -0.199 0.000 1.169 80 A CA 1.076 53.044 52.037 -0.116 0.000 0.635 80 A CB -0.396 18.549 19.000 -0.091 0.000 0.810 80 A HN 0.137 nan 8.150 nan 0.000 0.445 81 L N -2.561 118.446 121.223 -0.359 0.000 2.095 81 L HA -0.022 4.321 4.340 0.005 0.000 0.204 81 L C 1.757 178.212 176.870 -0.692 0.000 1.080 81 L CA 1.090 55.538 54.840 -0.653 0.000 0.759 81 L CB -0.186 41.183 42.059 -1.151 0.000 0.914 81 L HN 0.416 nan 8.230 nan 0.000 0.439 82 F N -1.256 118.624 119.950 -0.117 0.000 2.728 82 F HA 0.351 4.882 4.527 0.006 0.000 0.314 82 F C 1.630 177.389 175.800 -0.069 0.000 1.094 82 F CA 0.165 58.111 58.000 -0.089 0.000 1.217 82 F CB -0.037 38.891 39.000 -0.120 0.000 1.056 82 F HN 0.046 nan 8.300 nan 0.000 0.577 83 G N 1.229 110.063 108.800 0.056 0.000 2.179 83 G HA2 -0.139 3.825 3.960 0.005 0.000 0.257 83 G HA3 -0.139 3.825 3.960 0.005 0.000 0.257 83 G C 0.422 175.338 174.900 0.027 0.000 1.010 83 G CA 0.055 45.169 45.100 0.024 0.000 0.736 83 G HN 0.655 nan 8.290 nan 0.000 0.513 84 A N -0.651 122.195 122.820 0.043 0.000 2.386 84 A HA 0.668 4.991 4.320 0.005 0.000 0.248 84 A C 1.152 178.747 177.584 0.019 0.000 1.082 84 A CA 0.891 52.943 52.037 0.025 0.000 0.789 84 A CB 0.388 19.400 19.000 0.020 0.000 1.025 84 A HN 0.480 nan 8.150 nan 0.000 0.490 85 E N -0.517 119.699 120.200 0.026 0.000 2.076 85 E HA -0.058 4.296 4.350 0.005 0.000 0.190 85 E C 0.032 176.689 176.600 0.096 0.000 0.979 85 E CA 1.176 57.600 56.400 0.040 0.000 0.807 85 E CB 0.039 29.754 29.700 0.025 0.000 0.761 85 E HN 0.788 nan 8.360 nan 0.000 0.454 86 H N -0.775 118.295 119.070 0.000 0.000 2.717 86 H HA 0.429 4.989 4.556 0.005 0.000 0.366 86 H C -1.571 173.769 175.328 0.020 0.000 1.132 86 H CA -0.833 55.218 56.048 0.006 0.000 1.180 86 H CB 1.343 31.108 29.762 0.006 0.000 1.678 86 H HN -0.224 nan 8.280 nan 0.000 0.537 87 V N 4.765 124.281 119.914 -0.664 0.000 2.709 87 V HA 0.318 4.441 4.120 0.005 0.000 0.308 87 V C -0.567 175.210 176.094 -0.528 0.000 1.062 87 V CA -1.022 61.033 62.300 -0.409 0.000 0.901 87 V CB 1.771 33.496 31.823 -0.163 0.000 1.003 87 V HN 0.838 nan 8.190 nan 0.000 0.425 88 N N 2.756 121.331 118.700 -0.208 0.000 2.483 88 N HA 0.304 5.047 4.740 0.005 0.000 0.267 88 N C 0.156 175.699 175.510 0.056 0.000 0.998 88 N CA -0.306 52.730 53.050 -0.023 0.000 0.918 88 N CB 2.235 40.774 38.487 0.087 0.000 1.215 88 N HN 0.554 nan 8.380 nan 0.000 0.500 89 V N 1.323 121.294 119.914 0.094 0.000 3.647 89 V HA 0.168 4.291 4.120 0.005 0.000 0.279 89 V C 1.392 177.527 176.094 0.068 0.000 1.314 89 V CA 0.467 62.833 62.300 0.109 0.000 1.125 89 V CB -0.157 31.752 31.823 0.144 0.000 0.907 89 V HN 0.535 nan 8.190 nan 0.000 0.434 90 Q N 0.757 120.595 119.800 0.064 0.000 2.378 90 Q HA 0.130 4.473 4.340 0.005 0.000 0.205 90 Q C -1.510 174.431 176.000 -0.097 0.000 0.954 90 Q CA -0.207 55.584 55.803 -0.020 0.000 0.901 90 Q CB -1.005 27.704 28.738 -0.049 0.000 0.981 90 Q HN 0.563 nan 8.270 nan 0.000 0.483 91 P HA -0.096 nan 4.420 nan 0.000 0.264 91 P C -0.087 177.183 177.300 -0.050 0.000 1.193 91 P CA 0.516 63.554 63.100 -0.103 0.000 0.763 91 P CB 0.453 32.138 31.700 -0.025 0.000 0.810 92 H N 0.418 119.478 119.070 -0.016 0.000 2.491 92 H HA 0.010 4.569 4.556 0.005 0.000 0.290 92 H C 0.947 176.266 175.328 -0.016 0.000 1.050 92 H CA 1.161 57.190 56.048 -0.031 0.000 1.309 92 H CB 0.025 29.764 29.762 -0.037 0.000 1.392 92 H HN 0.493 nan 8.280 nan 0.000 0.554 93 S N -2.686 113.081 115.700 0.112 0.000 2.611 93 S HA 0.424 4.897 4.470 0.005 0.000 0.268 93 S C 1.328 175.973 174.600 0.076 0.000 1.156 93 S CA -0.394 57.863 58.200 0.096 0.000 0.817 93 S CB 1.292 64.543 63.200 0.084 0.000 1.122 93 S HN 0.125 nan 8.310 nan 0.000 0.466 94 G N 0.904 109.758 108.800 0.091 0.000 2.476 94 G HA2 -0.066 3.897 3.960 0.005 0.000 0.218 94 G HA3 -0.066 3.897 3.960 0.005 0.000 0.218 94 G C -1.094 173.838 174.900 0.054 0.000 1.164 94 G CA 1.399 46.532 45.100 0.054 0.000 0.768 94 G HN 0.620 nan 8.290 nan 0.000 0.560 95 P HA -0.029 nan 4.420 nan 0.000 0.218 95 P C 1.780 179.075 177.300 -0.007 0.000 1.149 95 P CA 1.058 64.222 63.100 0.106 0.000 0.817 95 P CB 0.076 31.858 31.700 0.138 0.000 0.785 96 Q N -0.528 119.256 119.800 -0.027 0.000 2.079 96 Q HA -0.070 4.273 4.340 0.005 0.000 0.200 96 Q C 2.251 178.203 176.000 -0.079 0.000 0.974 96 Q CA 1.853 57.603 55.803 -0.088 0.000 0.840 96 Q CB -1.450 27.253 28.738 -0.058 0.000 0.898 96 Q HN 0.114 nan 8.270 nan 0.000 0.430 97 A N 0.948 123.752 122.820 -0.027 0.000 1.892 97 A HA -0.284 4.040 4.320 0.005 0.000 0.218 97 A C 1.836 179.417 177.584 -0.004 0.000 1.188 97 A CA 2.006 54.037 52.037 -0.010 0.000 0.631 97 A CB -0.755 18.251 19.000 0.010 0.000 0.822 97 A HN 0.358 nan 8.150 nan 0.000 0.447 98 N N -0.765 117.954 118.700 0.031 0.000 2.084 98 N HA -0.139 4.604 4.740 0.005 0.000 0.190 98 N C 1.747 177.298 175.510 0.067 0.000 1.030 98 N CA 1.691 54.808 53.050 0.112 0.000 0.849 98 N CB -0.524 38.078 38.487 0.192 0.000 1.012 98 N HN 0.640 nan 8.380 nan 0.000 0.423 99 M N 0.529 120.014 119.600 -0.192 0.000 2.149 99 M HA -0.142 4.341 4.480 0.005 0.000 0.261 99 M C 1.811 178.013 176.300 -0.163 0.000 1.064 99 M CA 1.611 56.632 55.300 -0.465 0.000 1.102 99 M CB -0.011 32.075 32.600 -0.858 0.000 1.369 99 M HN 0.184 nan 8.290 nan 0.000 0.408 100 A N -0.452 122.294 122.820 -0.123 0.000 1.902 100 A HA -0.108 4.215 4.320 0.005 0.000 0.217 100 A C 2.026 179.542 177.584 -0.112 0.000 1.181 100 A CA 1.810 53.794 52.037 -0.088 0.000 0.623 100 A CB -1.084 17.881 19.000 -0.058 0.000 0.818 100 A HN 0.419 nan 8.150 nan 0.000 0.443 101 V N -1.338 118.491 119.914 -0.142 0.000 2.287 101 V HA -0.294 3.829 4.120 0.005 0.000 0.248 101 V C 2.402 178.294 176.094 -0.335 0.000 1.053 101 V CA 2.091 64.149 62.300 -0.404 0.000 1.027 101 V CB -1.106 30.458 31.823 -0.432 0.000 0.646 101 V HN 0.634 nan 8.190 nan 0.000 0.447 102 Y N -0.026 120.108 120.300 -0.277 0.000 2.181 102 Y HA -0.159 4.394 4.550 0.005 0.000 0.288 102 Y C 2.286 178.065 175.900 -0.201 0.000 1.146 102 Y CA 1.204 59.142 58.100 -0.270 0.000 1.164 102 Y CB -0.684 37.698 38.460 -0.129 0.000 0.982 102 Y HN 0.149 nan 8.280 nan 0.000 0.515 103 L N -1.461 119.810 121.223 0.080 0.000 2.131 103 L HA -0.203 4.141 4.340 0.005 0.000 0.210 103 L C 2.137 179.003 176.870 -0.007 0.000 1.092 103 L CA 0.724 55.603 54.840 0.065 0.000 0.759 103 L CB -0.627 41.443 42.059 0.018 0.000 0.903 103 L HN 0.088 nan 8.230 nan 0.000 0.435 104 V N -0.456 119.402 119.914 -0.094 0.000 2.379 104 V HA -0.097 4.026 4.120 0.005 0.000 0.243 104 V C 2.516 178.557 176.094 -0.089 0.000 1.035 104 V CA 1.622 63.870 62.300 -0.087 0.000 1.035 104 V CB -0.372 31.376 31.823 -0.126 0.000 0.673 104 V HN 0.427 nan 8.190 nan 0.000 0.457 105 A N -0.977 121.706 122.820 -0.229 0.000 2.072 105 A HA 0.301 4.624 4.320 0.005 0.000 0.216 105 A C 0.955 178.473 177.584 -0.110 0.000 1.156 105 A CA 0.653 52.588 52.037 -0.170 0.000 0.701 105 A CB -0.095 18.716 19.000 -0.314 0.000 0.816 105 A HN 0.451 nan 8.150 nan 0.000 0.458 106 L N -0.382 120.775 121.223 -0.110 0.000 2.333 106 L HA 0.473 4.816 4.340 0.005 0.000 0.263 106 L C -0.730 176.210 176.870 0.116 0.000 1.014 106 L CA -1.027 53.786 54.840 -0.045 0.000 0.820 106 L CB 1.733 43.641 42.059 -0.251 0.000 1.352 106 L HN 0.009 nan 8.230 nan 0.000 0.421 107 E N 1.571 121.874 120.200 0.172 0.000 2.222 107 E HA 0.401 4.754 4.350 0.005 0.000 0.272 107 E C -0.491 176.309 176.600 0.333 0.000 0.982 107 E CA -0.870 55.652 56.400 0.202 0.000 0.842 107 E CB 1.566 31.340 29.700 0.124 0.000 1.144 107 E HN 0.367 nan 8.360 nan 0.000 0.397 108 M N 0.730 120.469 119.600 0.231 0.000 2.248 108 M HA 0.007 4.491 4.480 0.005 0.000 0.343 108 M C 1.313 177.698 176.300 0.142 0.000 1.243 108 M CA 1.273 56.634 55.300 0.102 0.000 1.025 108 M CB -0.637 31.965 32.600 0.004 0.000 1.759 108 M HN 0.903 nan 8.290 nan 0.000 0.452 109 G N 2.489 111.372 108.800 0.139 0.000 2.268 109 G HA2 -0.201 3.762 3.960 0.005 0.000 0.240 109 G HA3 -0.201 3.762 3.960 0.005 0.000 0.240 109 G C 0.014 175.033 174.900 0.199 0.000 1.010 109 G CA 0.110 45.300 45.100 0.151 0.000 0.618 109 G HN 0.621 nan 8.290 nan 0.000 0.516 110 D N 1.403 121.962 120.400 0.265 0.000 2.378 110 D HA 0.453 5.096 4.640 0.005 0.000 0.238 110 D C 0.776 177.183 176.300 0.177 0.000 1.180 110 D CA 0.824 54.939 54.000 0.192 0.000 0.895 110 D CB 0.572 41.465 40.800 0.155 0.000 1.192 110 D HN 0.147 nan 8.370 nan 0.000 0.438 111 T N 0.542 115.149 114.554 0.088 0.000 2.817 111 T HA 0.417 4.770 4.350 0.005 0.000 0.293 111 T C -0.245 174.428 174.700 -0.045 0.000 0.964 111 T CA -0.528 61.596 62.100 0.040 0.000 1.085 111 T CB 1.141 70.034 68.868 0.042 0.000 0.921 111 T HN 0.140 nan 8.240 nan 0.000 0.502 112 V N 4.946 124.787 119.914 -0.121 0.000 2.735 112 V HA 0.800 4.924 4.120 0.005 0.000 0.310 112 V C -1.538 174.285 176.094 -0.451 0.000 1.061 112 V CA -1.085 61.051 62.300 -0.273 0.000 0.913 112 V CB 1.879 33.515 31.823 -0.312 0.000 1.005 112 V HN 0.716 nan 8.190 nan 0.000 0.428 113 L N 6.414 127.421 121.223 -0.360 0.000 2.319 113 L HA 1.028 5.371 4.340 0.005 0.000 0.281 113 L C -0.005 176.723 176.870 -0.237 0.000 1.005 113 L CA 0.641 55.303 54.840 -0.297 0.000 0.828 113 L CB 1.164 43.206 42.059 -0.029 0.000 1.227 113 L HN 0.945 nan 8.230 nan 0.000 0.415 114 G N 4.130 112.651 108.800 -0.464 0.000 2.690 114 G HA2 0.440 4.403 3.960 0.005 0.000 0.291 114 G HA3 0.440 4.403 3.960 0.005 0.000 0.291 114 G C -1.479 173.028 174.900 -0.654 0.000 1.403 114 G CA -0.866 44.058 45.100 -0.293 0.000 0.864 114 G HN 0.623 nan 8.290 nan 0.000 0.480 115 M N 1.597 120.711 119.600 -0.810 0.000 2.233 115 M HA 0.292 4.775 4.480 0.005 0.000 0.350 115 M C -0.395 175.672 176.300 -0.389 0.000 1.176 115 M CA -0.434 54.258 55.300 -1.014 0.000 1.150 115 M CB 0.694 32.951 32.600 -0.571 0.000 1.530 115 M HN 0.616 nan 8.290 nan 0.000 0.459 116 N N 4.592 123.089 118.700 -0.339 0.000 2.260 116 N HA 0.324 5.067 4.740 0.005 0.000 0.293 116 N C -0.703 174.656 175.510 -0.252 0.000 1.058 116 N CA -0.394 52.496 53.050 -0.266 0.000 0.824 116 N CB 1.592 39.924 38.487 -0.258 0.000 1.551 116 N HN 0.820 nan 8.380 nan 0.000 0.475 117 L N 1.762 122.842 121.223 -0.239 0.000 2.500 117 L HA 0.057 4.401 4.340 0.005 0.000 0.219 117 L C 2.336 179.073 176.870 -0.221 0.000 1.057 117 L CA 0.336 55.056 54.840 -0.199 0.000 0.854 117 L CB -0.290 41.690 42.059 -0.131 0.000 1.078 117 L HN 0.620 nan 8.230 nan 0.000 0.480 118 S N -1.257 114.271 115.700 -0.286 0.000 2.440 118 S HA -0.135 4.338 4.470 0.005 0.000 0.238 118 S C 0.768 175.237 174.600 -0.219 0.000 1.010 118 S CA 0.511 58.544 58.200 -0.279 0.000 0.972 118 S CB -0.695 62.312 63.200 -0.322 0.000 0.774 118 S HN 0.473 nan 8.310 nan 0.000 0.501 128 P HA 0.561 nan 4.420 nan 0.000 0.278 128 P C 0.423 177.648 177.300 -0.126 0.000 1.238 128 P CA -0.442 62.587 63.100 -0.118 0.000 0.794 128 P CB 1.082 32.701 31.700 -0.136 0.000 0.955 129 V N 0.098 119.954 119.914 -0.097 0.000 2.825 129 V HA -0.035 4.088 4.120 0.005 0.000 0.246 129 V C 1.180 177.225 176.094 -0.081 0.000 1.068 129 V CA 0.453 62.708 62.300 -0.075 0.000 1.088 129 V CB -0.781 31.023 31.823 -0.033 0.000 0.733 129 V HN 0.690 nan 8.190 nan 0.000 0.468 130 N N 1.100 119.723 118.700 -0.128 0.000 2.412 130 N HA -0.065 4.678 4.740 0.005 0.000 0.254 130 N C 1.289 176.681 175.510 -0.197 0.000 1.232 130 N CA 0.191 53.126 53.050 -0.191 0.000 0.880 130 N CB 1.077 39.359 38.487 -0.341 0.000 1.076 130 N HN 0.351 nan 8.380 nan 0.000 0.458 131 F N 2.749 122.681 119.950 -0.030 0.000 2.120 131 F HA -0.219 4.311 4.527 0.005 0.000 0.300 131 F C 2.462 178.320 175.800 0.098 0.000 1.095 131 F CA 1.415 59.465 58.000 0.082 0.000 1.249 131 F CB -1.120 37.947 39.000 0.111 0.000 0.995 131 F HN 0.492 nan 8.300 nan 0.000 0.480 132 S N 0.253 115.439 115.700 -0.856 0.000 2.382 132 S HA -0.020 4.453 4.470 0.005 0.000 0.228 132 S C 2.201 176.846 174.600 0.074 0.000 1.027 132 S CA 0.910 58.898 58.200 -0.352 0.000 0.991 132 S CB -1.482 61.211 63.200 -0.846 0.000 0.823 132 S HN 0.586 nan 8.310 nan 0.000 0.469 133 G N 1.166 109.857 108.800 -0.181 0.000 2.494 133 G HA2 0.044 4.007 3.960 0.005 0.000 0.216 133 G HA3 0.044 4.007 3.960 0.005 0.000 0.216 133 G C 1.402 176.245 174.900 -0.094 0.000 1.140 133 G CA 0.514 45.560 45.100 -0.090 0.000 0.801 133 G HN 0.600 nan 8.290 nan 0.000 0.536 134 K N -0.651 119.618 120.400 -0.218 0.000 2.166 134 K HA 0.181 4.504 4.320 0.005 0.000 0.201 134 K C 1.286 177.513 176.600 -0.622 0.000 1.052 134 K CA 0.459 56.461 56.287 -0.474 0.000 0.969 134 K CB -0.083 31.985 32.500 -0.720 0.000 0.761 134 K HN 0.220 nan 8.250 nan 0.000 0.459 135 F N -0.318 119.550 119.950 -0.137 0.000 2.695 135 F HA 0.275 4.805 4.527 0.005 0.000 0.303 135 F C -0.241 175.189 175.800 -0.617 0.000 1.091 135 F CA -0.335 57.440 58.000 -0.375 0.000 1.300 135 F CB 0.345 39.063 39.000 -0.469 0.000 1.071 135 F HN -0.120 nan 8.300 nan 0.000 0.578 136 Y N -1.354 119.094 120.300 0.248 0.000 2.602 136 Y HA 0.328 4.882 4.550 0.006 0.000 0.342 136 Y C 0.074 176.070 175.900 0.159 0.000 1.029 136 Y CA -1.850 56.382 58.100 0.221 0.000 1.080 136 Y CB 0.711 39.349 38.460 0.297 0.000 1.284 136 Y HN -0.314 nan 8.280 nan 0.000 0.485 137 N N 1.491 120.363 118.700 0.286 0.000 2.555 137 N HA 0.103 4.846 4.740 0.005 0.000 0.244 137 N C -1.706 173.898 175.510 0.158 0.000 1.114 137 N CA -0.138 53.015 53.050 0.171 0.000 0.963 137 N CB -0.204 38.349 38.487 0.111 0.000 1.276 137 N HN 0.510 nan 8.380 nan 0.000 0.510 138 F N 4.571 124.557 119.950 0.059 0.000 2.390 138 F HA 0.390 4.920 4.527 0.005 0.000 0.361 138 F C -0.523 175.255 175.800 -0.038 0.000 1.124 138 F CA -0.695 57.325 58.000 0.034 0.000 1.149 138 F CB 0.592 39.618 39.000 0.043 0.000 1.160 138 F HN 0.093 nan 8.300 nan 0.000 0.501 139 V N 6.302 126.007 119.914 -0.348 0.000 2.407 139 V HA 0.242 4.365 4.120 0.005 0.000 0.278 139 V C -0.113 175.820 176.094 -0.267 0.000 1.037 139 V CA -0.793 61.343 62.300 -0.273 0.000 0.900 139 V CB 1.357 32.917 31.823 -0.439 0.000 0.983 139 V HN 0.638 nan 8.190 nan 0.000 0.459 140 E N 3.753 123.943 120.200 -0.016 0.000 2.266 140 E HA 0.458 4.812 4.350 0.005 0.000 0.277 140 E C -1.317 175.285 176.600 0.002 0.000 1.018 140 E CA -0.420 55.992 56.400 0.021 0.000 0.840 140 E CB 1.552 31.305 29.700 0.089 0.000 1.082 140 E HN 0.712 nan 8.360 nan 0.000 0.395 141 Y N -0.165 120.135 120.300 0.000 0.000 2.528 141 Y HA 0.800 5.353 4.550 0.005 0.000 0.335 141 Y C 0.352 176.229 175.900 -0.039 0.000 1.093 141 Y CA -0.879 57.212 58.100 -0.016 0.000 1.134 141 Y CB 1.183 39.631 38.460 -0.020 0.000 1.253 141 Y HN 0.489 nan 8.280 nan 0.000 0.478 142 G N 0.544 109.399 108.800 0.091 0.000 3.356 142 G HA2 0.592 4.556 3.960 0.005 0.000 0.178 142 G HA3 0.592 4.556 3.960 0.005 0.000 0.178 142 G C -0.924 174.005 174.900 0.049 0.000 1.130 142 G CA -0.280 44.805 45.100 -0.026 0.000 0.800 142 G HN 1.164 nan 8.290 nan 0.000 0.669 143 V N -1.430 118.504 119.914 0.033 0.000 3.046 143 V HA 0.680 4.803 4.120 0.005 0.000 0.316 143 V C -0.783 175.436 176.094 0.207 0.000 1.104 143 V CA -0.867 61.485 62.300 0.086 0.000 1.006 143 V CB 1.688 33.574 31.823 0.105 0.000 1.058 143 V HN 0.675 nan 8.190 nan 0.000 0.440 144 D N 1.357 121.853 120.400 0.159 0.000 2.414 144 D HA 0.131 4.774 4.640 0.005 0.000 0.242 144 D C 1.113 177.529 176.300 0.194 0.000 1.129 144 D CA 0.046 54.139 54.000 0.155 0.000 0.885 144 D CB 1.250 42.090 40.800 0.067 0.000 1.198 144 D HN 0.792 nan 8.370 nan 0.000 0.437 145 K N 2.516 122.950 120.400 0.057 0.000 2.147 145 K HA -0.162 4.161 4.320 0.005 0.000 0.205 145 K C 0.263 176.843 176.600 -0.034 0.000 1.049 145 K CA 1.362 57.566 56.287 -0.137 0.000 0.936 145 K CB 0.136 32.263 32.500 -0.623 0.000 0.722 145 K HN 0.556 nan 8.250 nan 0.000 0.446 146 D N -0.526 119.861 120.400 -0.021 0.000 2.338 146 D HA -0.061 4.583 4.640 0.005 0.000 0.224 146 D C 1.883 178.197 176.300 0.024 0.000 0.967 146 D CA 1.621 55.616 54.000 -0.009 0.000 0.896 146 D CB 0.106 40.892 40.800 -0.023 0.000 1.028 146 D HN 0.411 nan 8.370 nan 0.000 0.493 147 T N -1.376 113.203 114.554 0.040 0.000 3.035 147 T HA 0.007 4.360 4.350 0.005 0.000 0.259 147 T C 0.764 175.509 174.700 0.075 0.000 1.078 147 T CA 0.458 62.589 62.100 0.050 0.000 1.132 147 T CB 0.063 68.962 68.868 0.052 0.000 0.900 147 T HN 0.133 nan 8.240 nan 0.000 0.480 148 E N 0.522 120.785 120.200 0.106 0.000 2.791 148 E HA -0.178 4.175 4.350 0.005 0.000 0.271 148 E C -0.134 176.573 176.600 0.177 0.000 1.044 148 E CA 0.256 56.740 56.400 0.141 0.000 0.814 148 E CB -1.161 28.608 29.700 0.114 0.000 1.400 148 E HN 0.651 nan 8.360 nan 0.000 0.423 149 R N -0.245 120.355 120.500 0.167 0.000 2.892 149 R HA 0.591 4.934 4.340 0.005 0.000 0.265 149 R C 0.262 176.628 176.300 0.111 0.000 1.025 149 R CA -1.146 55.097 56.100 0.237 0.000 0.982 149 R CB 1.222 31.630 30.300 0.179 0.000 1.185 149 R HN -0.031 nan 8.270 nan 0.000 0.484 150 I N 1.959 122.548 120.570 0.031 0.000 2.683 150 I HA -0.109 4.064 4.170 0.005 0.000 0.286 150 I C 0.337 176.274 176.117 -0.300 0.000 1.175 150 I CA 0.390 61.531 61.300 -0.266 0.000 1.429 150 I CB 0.103 37.771 38.000 -0.554 0.000 1.371 150 I HN 0.384 nan 8.210 nan 0.000 0.569 151 N N 6.496 125.035 118.700 -0.268 0.000 2.546 151 N HA 0.145 4.889 4.740 0.005 0.000 0.238 151 N C 0.172 175.521 175.510 -0.268 0.000 0.984 151 N CA -0.270 52.681 53.050 -0.166 0.000 0.935 151 N CB 0.516 38.967 38.487 -0.060 0.000 1.122 151 N HN 0.350 nan 8.380 nan 0.000 0.510 152 Y N 1.187 121.379 120.300 -0.180 0.000 2.352 152 Y HA -0.085 4.468 4.550 0.006 0.000 0.292 152 Y C 1.489 177.250 175.900 -0.232 0.000 1.136 152 Y CA 0.714 58.639 58.100 -0.292 0.000 1.227 152 Y CB 0.256 38.530 38.460 -0.310 0.000 0.991 152 Y HN 0.466 nan 8.280 nan 0.000 0.545 153 D N 0.044 120.435 120.400 -0.015 0.000 2.144 153 D HA -0.170 4.473 4.640 0.005 0.000 0.199 153 D C 2.000 178.265 176.300 -0.058 0.000 0.984 153 D CA 1.345 55.322 54.000 -0.038 0.000 0.834 153 D CB -0.127 40.660 40.800 -0.021 0.000 0.955 153 D HN 0.367 nan 8.370 nan 0.000 0.465 154 E N 0.640 120.798 120.200 -0.070 0.000 2.072 154 E HA -0.092 4.261 4.350 0.005 0.000 0.190 154 E C 2.063 178.610 176.600 -0.089 0.000 0.982 154 E CA 0.535 56.902 56.400 -0.054 0.000 0.803 154 E CB -0.168 29.515 29.700 -0.029 0.000 0.755 154 E HN -0.012 nan 8.360 nan 0.000 0.453 155 V N 1.268 121.057 119.914 -0.208 0.000 2.282 155 V HA -0.317 3.806 4.120 0.005 0.000 0.249 155 V C 2.654 178.645 176.094 -0.173 0.000 1.057 155 V CA 2.399 64.515 62.300 -0.306 0.000 1.032 155 V CB -0.695 30.726 31.823 -0.670 0.000 0.645 155 V HN 0.316 nan 8.190 nan 0.000 0.447 156 R N 0.232 120.642 120.500 -0.149 0.000 2.081 156 R HA -0.213 4.130 4.340 0.005 0.000 0.235 156 R C 2.483 178.755 176.300 -0.047 0.000 1.131 156 R CA 1.977 58.023 56.100 -0.090 0.000 0.960 156 R CB -0.317 29.935 30.300 -0.079 0.000 0.856 156 R HN 0.481 nan 8.270 nan 0.000 0.436 157 K N 0.683 121.060 120.400 -0.038 0.000 2.032 157 K HA -0.168 4.155 4.320 0.005 0.000 0.209 157 K C 2.140 178.747 176.600 0.012 0.000 1.048 157 K CA 1.654 57.931 56.287 -0.015 0.000 0.927 157 K CB -0.178 32.316 32.500 -0.009 0.000 0.712 157 K HN 0.256 nan 8.250 nan 0.000 0.441 158 L N 0.431 121.683 121.223 0.048 0.000 2.046 158 L HA -0.187 4.156 4.340 0.005 0.000 0.208 158 L C 2.654 179.618 176.870 0.156 0.000 1.077 158 L CA 1.278 56.214 54.840 0.159 0.000 0.747 158 L CB -0.517 41.637 42.059 0.159 0.000 0.896 158 L HN 0.270 nan 8.230 nan 0.000 0.432 159 A N 0.021 122.881 122.820 0.066 0.000 1.902 159 A HA -0.162 4.161 4.320 0.005 0.000 0.217 159 A C 2.245 179.850 177.584 0.035 0.000 1.181 159 A CA 1.433 53.501 52.037 0.052 0.000 0.623 159 A CB -0.662 18.347 19.000 0.014 0.000 0.818 159 A HN 0.358 nan 8.150 nan 0.000 0.443 160 L N -0.972 120.255 121.223 0.006 0.000 2.093 160 L HA -0.163 4.180 4.340 0.005 0.000 0.208 160 L C 2.672 179.517 176.870 -0.041 0.000 1.085 160 L CA 1.699 56.530 54.840 -0.014 0.000 0.755 160 L CB -0.382 41.663 42.059 -0.023 0.000 0.904 160 L HN 0.619 nan 8.230 nan 0.000 0.435 161 E N -0.600 119.554 120.200 -0.076 0.000 2.046 161 E HA -0.202 4.151 4.350 0.005 0.000 0.190 161 E C 1.908 178.335 176.600 -0.289 0.000 0.982 161 E CA 1.027 57.297 56.400 -0.217 0.000 0.800 161 E CB 0.144 29.649 29.700 -0.325 0.000 0.756 161 E HN 0.555 nan 8.360 nan 0.000 0.449 162 H N -0.419 118.652 119.070 0.003 0.000 2.592 162 H HA 0.142 4.701 4.556 0.005 0.000 0.265 162 H C 0.192 175.521 175.328 0.002 0.000 0.955 162 H CA 0.436 56.486 56.048 0.004 0.000 1.175 162 H CB 0.620 30.383 29.762 0.001 0.000 1.433 162 H HN -0.032 nan 8.280 nan 0.000 0.537 163 K N 1.166 121.618 120.400 0.087 0.000 3.419 163 K HA -0.104 4.220 4.320 0.005 0.000 0.272 163 K C -2.673 173.959 176.600 0.053 0.000 0.973 163 K CA -0.035 56.284 56.287 0.053 0.000 0.749 163 K CB -1.212 31.310 32.500 0.036 0.000 1.403 163 K HN 0.408 nan 8.250 nan 0.000 0.456 164 P HA -0.032 nan 4.420 nan 0.000 0.268 164 P C 0.214 177.512 177.300 -0.002 0.000 1.205 164 P CA 0.095 63.199 63.100 0.007 0.000 0.771 164 P CB 0.843 32.532 31.700 -0.018 0.000 0.858 165 K N 0.755 121.143 120.400 -0.020 0.000 2.305 165 K HA 0.050 4.373 4.320 0.005 0.000 0.199 165 K C 0.539 177.108 176.600 -0.051 0.000 1.047 165 K CA 0.575 56.850 56.287 -0.021 0.000 0.976 165 K CB 0.007 32.498 32.500 -0.015 0.000 0.765 165 K HN 0.299 nan 8.250 nan 0.000 0.474 166 L N 0.802 121.963 121.223 -0.104 0.000 2.436 166 L HA 0.440 4.783 4.340 0.005 0.000 0.268 166 L C -1.480 175.316 176.870 -0.123 0.000 0.974 166 L CA -0.550 54.205 54.840 -0.141 0.000 0.826 166 L CB 1.758 43.632 42.059 -0.308 0.000 1.291 166 L HN -0.110 nan 8.230 nan 0.000 0.406 167 I N 5.082 125.625 120.570 -0.045 0.000 2.404 167 I HA 0.543 4.716 4.170 0.005 0.000 0.293 167 I C -0.850 175.269 176.117 0.003 0.000 0.992 167 I CA -0.982 60.330 61.300 0.020 0.000 1.149 167 I CB 2.014 40.097 38.000 0.139 0.000 1.315 167 I HN 0.252 nan 8.210 nan 0.000 0.446 168 V N 5.145 125.061 119.914 0.004 0.000 2.459 168 V HA 0.748 4.871 4.120 0.005 0.000 0.295 168 V C 0.155 176.225 176.094 -0.041 0.000 1.029 168 V CA -0.489 61.799 62.300 -0.020 0.000 0.874 168 V CB 1.545 33.380 31.823 0.020 0.000 0.985 168 V HN 0.848 nan 8.190 nan 0.000 0.438 169 A N 3.056 125.756 122.820 -0.199 0.000 2.354 169 A HA 1.018 5.342 4.320 0.005 0.000 0.321 169 A C 0.561 178.110 177.584 -0.059 0.000 1.125 169 A CA 0.131 51.952 52.037 -0.360 0.000 0.799 169 A CB 1.386 19.809 19.000 -0.963 0.000 1.293 169 A HN 2.109 nan 8.150 nan 0.000 0.452 170 G N -0.135 108.684 108.800 0.032 0.000 2.488 170 G HA2 0.307 4.270 3.960 0.005 0.000 0.237 170 G HA3 0.307 4.270 3.960 0.005 0.000 0.237 170 G C 0.936 175.877 174.900 0.070 0.000 1.209 170 G CA 1.965 47.131 45.100 0.110 0.000 0.929 170 G HN 2.626 nan 8.290 nan 0.000 0.578 171 A N -2.700 120.177 122.820 0.095 0.000 1.691 171 A HA -0.186 4.138 4.320 0.005 0.000 0.227 171 A C 1.761 179.430 177.584 0.142 0.000 0.423 171 A CA 2.768 54.858 52.037 0.088 0.000 1.102 171 A CB -2.120 16.904 19.000 0.039 0.000 1.455 171 A HN 2.542 nan 8.150 nan 0.000 0.714 172 S N 0.126 115.861 115.700 0.058 0.000 2.603 172 S HA 0.543 5.016 4.470 0.005 0.000 0.268 172 S C 0.628 175.200 174.600 -0.046 0.000 1.317 172 S CA 0.161 58.365 58.200 0.007 0.000 1.012 172 S CB 1.424 64.577 63.200 -0.078 0.000 0.926 172 S HN 1.850 nan 8.310 nan 0.000 0.539 173 A N 2.318 124.984 122.820 -0.255 0.000 3.026 173 A HA 0.254 4.578 4.320 0.005 0.000 0.272 173 A C -0.480 176.984 177.584 -0.201 0.000 1.782 173 A CA -0.101 51.588 52.037 -0.580 0.000 1.451 173 A CB -0.993 17.681 19.000 -0.543 0.000 1.081 173 A HN 0.651 nan 8.150 nan 0.000 0.611 174 Y N 1.013 121.183 120.300 -0.218 0.000 2.323 174 Y HA 0.349 4.902 4.550 0.006 0.000 0.331 174 Y C 1.057 176.894 175.900 -0.105 0.000 1.092 174 Y CA -0.695 57.338 58.100 -0.111 0.000 1.150 174 Y CB 1.513 39.957 38.460 -0.027 0.000 1.200 174 Y HN 0.330 nan 8.280 nan 0.000 0.472 175 S N 4.957 120.387 115.700 -0.450 0.000 2.603 175 S HA 0.209 4.682 4.470 0.005 0.000 0.220 175 S C 0.290 174.597 174.600 -0.488 0.000 0.967 175 S CA 0.055 58.005 58.200 -0.416 0.000 0.920 175 S CB -0.188 62.828 63.200 -0.306 0.000 0.773 175 S HN 0.442 nan 8.310 nan 0.000 0.529 176 R N 1.156 121.115 120.500 -0.902 0.000 2.873 176 R HA 0.438 4.781 4.340 0.005 0.000 0.264 176 R C -0.267 175.915 176.300 -0.196 0.000 1.026 176 R CA -0.468 55.309 56.100 -0.539 0.000 1.002 176 R CB 0.136 30.117 30.300 -0.530 0.000 1.174 176 R HN -0.007 nan 8.270 nan 0.000 0.488 177 T N 2.087 116.620 114.554 -0.035 0.000 2.930 177 T HA 0.257 4.610 4.350 0.005 0.000 0.306 177 T C 0.734 175.529 174.700 0.159 0.000 1.045 177 T CA 0.167 62.278 62.100 0.017 0.000 1.134 177 T CB 0.203 68.958 68.868 -0.188 0.000 0.961 177 T HN 0.260 nan 8.240 nan 0.000 0.545 178 I N 2.697 123.368 120.570 0.168 0.000 2.354 178 I HA 0.207 4.380 4.170 0.005 0.000 0.292 178 I C 0.259 176.194 176.117 -0.302 0.000 0.989 178 I CA -0.748 60.606 61.300 0.091 0.000 1.188 178 I CB 1.372 39.389 38.000 0.029 0.000 1.342 178 I HN 0.490 nan 8.210 nan 0.000 0.457 179 D N 6.246 126.639 120.400 -0.010 0.000 2.393 179 D HA 0.135 4.778 4.640 0.005 0.000 0.232 179 D C 0.518 176.803 176.300 -0.026 0.000 1.192 179 D CA -0.087 53.805 54.000 -0.181 0.000 0.882 179 D CB 0.538 41.109 40.800 -0.381 0.000 1.038 179 D HN 0.258 nan 8.370 nan 0.000 0.499 180 F N 2.582 122.638 119.950 0.175 0.000 2.367 180 F HA 0.060 4.590 4.527 0.005 0.000 0.298 180 F C 2.400 178.065 175.800 -0.225 0.000 1.094 180 F CA 0.334 58.426 58.000 0.155 0.000 1.409 180 F CB -0.298 38.843 39.000 0.234 0.000 1.064 180 F HN 0.338 nan 8.300 nan 0.000 0.528 181 K N 1.069 121.216 120.400 -0.422 0.000 2.032 181 K HA -0.205 4.118 4.320 0.005 0.000 0.209 181 K C 2.012 178.375 176.600 -0.395 0.000 1.048 181 K CA 1.590 57.375 56.287 -0.836 0.000 0.927 181 K CB -0.058 32.105 32.500 -0.562 0.000 0.712 181 K HN 0.147 nan 8.250 nan 0.000 0.441 182 K N -0.482 119.731 120.400 -0.312 0.000 2.097 182 K HA -0.117 4.206 4.320 0.005 0.000 0.205 182 K C 2.055 178.535 176.600 -0.200 0.000 1.050 182 K CA 1.467 57.552 56.287 -0.337 0.000 0.938 182 K CB -0.175 31.913 32.500 -0.688 0.000 0.718 182 K HN 0.115 nan 8.250 nan 0.000 0.442 183 F N 1.662 121.591 119.950 -0.035 0.000 2.134 183 F HA -0.231 4.299 4.527 0.005 0.000 0.299 183 F C 2.517 178.319 175.800 0.004 0.000 1.097 183 F CA 1.262 59.288 58.000 0.044 0.000 1.264 183 F CB -0.108 38.986 39.000 0.158 0.000 1.001 183 F HN -0.080 nan 8.300 nan 0.000 0.479 184 K N 0.980 121.459 120.400 0.132 0.000 2.057 184 K HA -0.182 4.142 4.320 0.005 0.000 0.207 184 K C 1.713 178.328 176.600 0.024 0.000 1.049 184 K CA 1.718 58.050 56.287 0.075 0.000 0.931 184 K CB -0.424 32.094 32.500 0.029 0.000 0.714 184 K HN 0.281 nan 8.250 nan 0.000 0.440 185 E N -0.108 120.065 120.200 -0.045 0.000 2.085 185 E HA -0.171 4.182 4.350 0.005 0.000 0.194 185 E C 2.039 178.621 176.600 -0.031 0.000 0.994 185 E CA 1.625 57.997 56.400 -0.047 0.000 0.801 185 E CB -0.183 29.462 29.700 -0.091 0.000 0.743 185 E HN 0.339 nan 8.360 nan 0.000 0.453 186 I N 0.858 121.404 120.570 -0.041 0.000 2.202 186 I HA -0.234 3.939 4.170 0.005 0.000 0.242 186 I C 2.541 178.665 176.117 0.011 0.000 1.091 186 I CA 0.824 62.102 61.300 -0.036 0.000 1.368 186 I CB -0.299 37.647 38.000 -0.090 0.000 1.058 186 I HN 0.083 nan 8.210 nan 0.000 0.410 187 A N 0.688 123.540 122.820 0.053 0.000 1.883 187 A HA -0.260 4.063 4.320 0.005 0.000 0.217 187 A C 1.961 179.572 177.584 0.044 0.000 1.186 187 A CA 2.219 54.296 52.037 0.065 0.000 0.624 187 A CB -0.677 18.380 19.000 0.096 0.000 0.822 187 A HN 0.340 nan 8.150 nan 0.000 0.444 188 D N -0.781 119.643 120.400 0.040 0.000 2.149 188 D HA -0.163 4.481 4.640 0.005 0.000 0.198 188 D C 1.868 178.179 176.300 0.019 0.000 0.990 188 D CA 1.505 55.524 54.000 0.032 0.000 0.839 188 D CB -0.370 40.449 40.800 0.031 0.000 0.948 188 D HN 0.760 nan 8.370 nan 0.000 0.460 189 E N 0.365 120.571 120.200 0.010 0.000 2.110 189 E HA -0.146 4.208 4.350 0.005 0.000 0.193 189 E C 1.626 178.230 176.600 0.006 0.000 0.988 189 E CA 1.154 57.556 56.400 0.002 0.000 0.804 189 E CB 0.273 29.967 29.700 -0.010 0.000 0.745 189 E HN 0.236 nan 8.360 nan 0.000 0.458 190 V N -1.660 118.261 119.914 0.012 0.000 3.483 190 V HA 0.229 4.352 4.120 0.005 0.000 0.301 190 V C 0.253 176.360 176.094 0.021 0.000 1.389 190 V CA 0.314 62.623 62.300 0.015 0.000 1.101 190 V CB -0.363 31.470 31.823 0.016 0.000 0.971 190 V HN 0.342 nan 8.190 nan 0.000 0.434 191 N N 0.720 119.434 118.700 0.024 0.000 2.738 191 N HA -0.173 4.570 4.740 0.005 0.000 0.249 191 N C -0.230 175.300 175.510 0.034 0.000 1.047 191 N CA 0.918 53.986 53.050 0.030 0.000 0.707 191 N CB -1.263 37.239 38.487 0.026 0.000 0.937 191 N HN 1.186 nan 8.380 nan 0.000 0.545 192 A N 0.428 123.270 122.820 0.037 0.000 2.320 192 A HA 0.644 4.967 4.320 0.005 0.000 0.334 192 A C 0.263 177.875 177.584 0.046 0.000 1.147 192 A CA -0.683 51.375 52.037 0.035 0.000 0.820 192 A CB 0.887 19.905 19.000 0.030 0.000 1.218 192 A HN 0.311 nan 8.150 nan 0.000 0.482 193 K N 0.010 120.438 120.400 0.045 0.000 2.202 193 K HA 0.403 4.726 4.320 0.005 0.000 0.264 193 K C -1.081 175.554 176.600 0.058 0.000 1.010 193 K CA -0.395 55.926 56.287 0.057 0.000 0.940 193 K CB 0.838 33.393 32.500 0.093 0.000 0.983 193 K HN 0.438 nan 8.250 nan 0.000 0.475 194 L N 3.101 124.361 121.223 0.061 0.000 2.333 194 L HA 0.430 4.773 4.340 0.005 0.000 0.280 194 L C -0.881 176.039 176.870 0.083 0.000 1.004 194 L CA -0.275 54.608 54.840 0.071 0.000 0.820 194 L CB 1.491 43.605 42.059 0.092 0.000 1.247 194 L HN 0.692 nan 8.230 nan 0.000 0.416 195 M N 5.642 125.278 119.600 0.060 0.000 2.383 195 M HA 0.677 5.160 4.480 0.005 0.000 0.325 195 M C -1.764 174.519 176.300 -0.027 0.000 1.092 195 M CA -0.631 54.710 55.300 0.067 0.000 0.961 195 M CB 1.807 34.421 32.600 0.023 0.000 1.672 195 M HN 0.388 nan 8.290 nan 0.000 0.438 196 V N 3.784 123.655 119.914 -0.071 0.000 2.448 196 V HA 0.292 4.415 4.120 0.005 0.000 0.295 196 V C -0.759 175.282 176.094 -0.088 0.000 1.025 196 V CA -0.603 61.614 62.300 -0.138 0.000 0.859 196 V CB 1.590 33.194 31.823 -0.363 0.000 0.988 196 V HN 0.816 nan 8.190 nan 0.000 0.431 197 D N 5.711 126.090 120.400 -0.035 0.000 2.441 197 D HA 0.249 4.892 4.640 0.005 0.000 0.221 197 D C 0.715 176.999 176.300 -0.026 0.000 1.156 197 D CA -0.467 53.521 54.000 -0.021 0.000 0.896 197 D CB 1.112 41.927 40.800 0.024 0.000 1.028 197 D HN 0.604 nan 8.370 nan 0.000 0.509 198 M N 1.821 121.371 119.600 -0.085 0.000 2.551 198 M HA 0.401 4.884 4.480 0.005 0.000 0.252 198 M C 1.248 177.505 176.300 -0.072 0.000 1.219 198 M CA -0.501 54.757 55.300 -0.070 0.000 0.978 198 M CB 0.780 33.291 32.600 -0.148 0.000 1.533 198 M HN 0.144 nan 8.290 nan 0.000 0.474 199 A N 1.027 123.785 122.820 -0.104 0.000 1.892 199 A HA -0.209 4.114 4.320 0.005 0.000 0.218 199 A C 1.974 179.437 177.584 -0.203 0.000 1.188 199 A CA 1.925 53.844 52.037 -0.197 0.000 0.631 199 A CB -1.171 17.653 19.000 -0.292 0.000 0.822 199 A HN 0.730 nan 8.150 nan 0.000 0.447 200 H N -0.330 118.738 119.070 -0.004 0.000 2.387 200 H HA -0.069 4.490 4.556 0.005 0.000 0.299 200 H C 1.885 177.236 175.328 0.038 0.000 1.090 200 H CA 1.789 57.877 56.048 0.066 0.000 1.332 200 H CB -0.155 29.690 29.762 0.139 0.000 1.386 200 H HN 0.764 nan 8.280 nan 0.000 0.516 201 I N -2.879 117.761 120.570 0.116 0.000 4.082 201 I HA 0.406 4.579 4.170 0.005 0.000 0.337 201 I C 2.180 178.315 176.117 0.030 0.000 1.352 201 I CA 0.145 61.471 61.300 0.044 0.000 1.097 201 I CB 0.244 38.208 38.000 -0.059 0.000 1.048 201 I HN -0.099 nan 8.210 nan 0.000 0.393 202 A N 2.182 125.021 122.820 0.032 0.000 1.940 202 A HA -0.070 4.253 4.320 0.005 0.000 0.219 202 A C 2.333 180.089 177.584 0.286 0.000 1.176 202 A CA 2.081 54.180 52.037 0.103 0.000 0.631 202 A CB -1.427 17.592 19.000 0.032 0.000 0.814 202 A HN 0.546 nan 8.150 nan 0.000 0.446 203 G N -0.355 108.586 108.800 0.234 0.000 2.408 203 G HA2 -0.119 3.844 3.960 0.005 0.000 0.217 203 G HA3 -0.119 3.844 3.960 0.005 0.000 0.217 203 G C 1.537 176.590 174.900 0.255 0.000 1.150 203 G CA 0.969 46.286 45.100 0.362 0.000 0.776 203 G HN 0.447 nan 8.290 nan 0.000 0.542 204 L N 0.221 121.514 121.223 0.118 0.000 2.056 204 L HA -0.075 4.269 4.340 0.005 0.000 0.207 204 L C 2.979 179.972 176.870 0.204 0.000 1.078 204 L CA 0.452 55.357 54.840 0.109 0.000 0.749 204 L CB -0.618 41.507 42.059 0.109 0.000 0.901 204 L HN 0.077 nan 8.230 nan 0.000 0.433 205 V N 0.372 120.439 119.914 0.255 0.000 2.295 205 V HA -0.309 3.814 4.120 0.005 0.000 0.246 205 V C 2.829 179.101 176.094 0.298 0.000 1.049 205 V CA 1.885 64.374 62.300 0.316 0.000 1.024 205 V CB -0.961 31.065 31.823 0.338 0.000 0.648 205 V HN 0.488 nan 8.190 nan 0.000 0.447 206 A N -0.053 122.963 122.820 0.327 0.000 1.948 206 A HA -0.161 4.163 4.320 0.005 0.000 0.220 206 A C 2.238 179.905 177.584 0.137 0.000 1.177 206 A CA 2.201 54.278 52.037 0.067 0.000 0.636 206 A CB -0.651 18.362 19.000 0.022 0.000 0.815 206 A HN 0.642 nan 8.150 nan 0.000 0.449 207 A N -2.199 120.757 122.820 0.225 0.000 2.208 207 A HA 0.411 4.734 4.320 0.005 0.000 0.209 207 A C 1.862 179.512 177.584 0.110 0.000 1.161 207 A CA 1.189 53.331 52.037 0.174 0.000 0.782 207 A CB -0.852 18.200 19.000 0.087 0.000 0.816 207 A HN 1.926 nan 8.150 nan 0.000 0.477 208 G N -0.999 107.874 108.800 0.122 0.000 2.159 208 G HA2 -0.261 3.702 3.960 0.005 0.000 0.256 208 G HA3 -0.261 3.702 3.960 0.005 0.000 0.256 208 G C 0.739 175.700 174.900 0.102 0.000 0.977 208 G CA 0.528 45.692 45.100 0.106 0.000 0.652 208 G HN 0.473 nan 8.290 nan 0.000 0.531 209 L N -0.410 120.879 121.223 0.110 0.000 2.446 209 L HA 0.265 4.608 4.340 0.005 0.000 0.219 209 L C 1.170 178.121 176.870 0.134 0.000 1.116 209 L CA 0.341 55.234 54.840 0.088 0.000 0.844 209 L CB 0.016 42.105 42.059 0.050 0.000 0.970 209 L HN 0.397 nan 8.230 nan 0.000 0.457 210 H N 0.607 119.739 119.070 0.104 0.000 2.637 210 H HA 0.362 4.921 4.556 0.006 0.000 0.363 210 H C -2.545 172.894 175.328 0.185 0.000 1.131 210 H CA -2.163 53.965 56.048 0.134 0.000 1.183 210 H CB 2.456 32.318 29.762 0.166 0.000 1.637 210 H HN -0.238 nan 8.280 nan 0.000 0.531 211 P HA -0.065 nan 4.420 nan 0.000 0.265 211 P C -0.188 177.470 177.300 0.597 0.000 1.187 211 P CA 0.094 63.402 63.100 0.347 0.000 0.766 211 P CB 0.497 32.341 31.700 0.239 0.000 0.820 212 N N 4.024 122.960 118.700 0.393 0.000 2.411 212 N HA 0.079 4.823 4.740 0.005 0.000 0.259 212 N C -1.525 174.107 175.510 0.204 0.000 1.103 212 N CA -2.205 51.018 53.050 0.289 0.000 0.954 212 N CB 0.377 38.982 38.487 0.197 0.000 1.085 212 N HN 0.223 nan 8.380 nan 0.000 0.485 213 P HA -0.066 nan 4.420 nan 0.000 0.233 213 P C 1.163 178.348 177.300 -0.191 0.000 1.167 213 P CA 0.415 63.221 63.100 -0.491 0.000 0.770 213 P CB 0.475 31.435 31.700 -1.234 0.000 0.837 214 V N 0.961 120.810 119.914 -0.108 0.000 2.594 214 V HA -0.199 3.924 4.120 0.005 0.000 0.253 214 V C 2.668 178.713 176.094 -0.083 0.000 1.069 214 V CA 1.747 64.001 62.300 -0.076 0.000 1.082 214 V CB -1.274 30.533 31.823 -0.027 0.000 0.680 214 V HN 0.222 nan 8.190 nan 0.000 0.469 215 E N -0.728 119.403 120.200 -0.116 0.000 2.160 215 E HA -0.236 4.117 4.350 0.005 0.000 0.195 215 E C 1.733 178.073 176.600 -0.433 0.000 0.991 215 E CA 1.794 58.001 56.400 -0.321 0.000 0.810 215 E CB 0.008 29.410 29.700 -0.497 0.000 0.742 215 E HN 0.774 nan 8.360 nan 0.000 0.466 216 Y N -1.270 119.040 120.300 0.016 0.000 2.467 216 Y HA 0.407 4.959 4.550 0.005 0.000 0.259 216 Y C 0.596 176.492 175.900 -0.005 0.000 1.084 216 Y CA 0.105 58.223 58.100 0.031 0.000 1.275 216 Y CB 0.453 38.975 38.460 0.102 0.000 1.208 216 Y HN -0.019 nan 8.280 nan 0.000 0.511 217 A N 0.492 123.354 122.820 0.071 0.000 2.316 217 A HA 0.220 4.543 4.320 0.005 0.000 0.284 217 A C 0.739 178.286 177.584 -0.063 0.000 1.115 217 A CA -0.234 51.803 52.037 0.000 0.000 0.812 217 A CB 0.333 19.287 19.000 -0.076 0.000 1.064 217 A HN 0.289 nan 8.150 nan 0.000 0.489 218 D N 0.171 120.488 120.400 -0.137 0.000 2.117 218 D HA -0.001 4.643 4.640 0.005 0.000 0.198 218 D C -0.478 175.410 176.300 -0.687 0.000 0.982 218 D CA 1.799 55.551 54.000 -0.413 0.000 0.828 218 D CB -0.001 40.413 40.800 -0.643 0.000 0.967 218 D HN 0.498 nan 8.370 nan 0.000 0.464 219 F N -0.210 119.687 119.950 -0.087 0.000 2.569 219 F HA 0.382 4.912 4.527 0.005 0.000 0.312 219 F C -0.318 175.418 175.800 -0.107 0.000 1.109 219 F CA -1.052 56.891 58.000 -0.095 0.000 0.919 219 F CB 2.118 41.034 39.000 -0.141 0.000 1.211 219 F HN -0.435 nan 8.300 nan 0.000 0.446 220 V N 1.693 121.643 119.914 0.060 0.000 2.487 220 V HA 0.620 4.743 4.120 0.005 0.000 0.298 220 V C -0.238 175.825 176.094 -0.051 0.000 1.028 220 V CA -0.752 61.512 62.300 -0.059 0.000 0.860 220 V CB 1.977 33.696 31.823 -0.173 0.000 0.991 220 V HN 0.889 nan 8.190 nan 0.000 0.427 221 T N 0.773 115.295 114.554 -0.053 0.000 2.945 221 T HA 0.811 5.164 4.350 0.005 0.000 0.286 221 T C -0.297 174.342 174.700 -0.101 0.000 1.025 221 T CA -0.636 61.434 62.100 -0.049 0.000 1.039 221 T CB 2.081 70.948 68.868 -0.002 0.000 1.068 221 T HN 0.713 nan 8.240 nan 0.000 0.497 222 T N 0.563 115.063 114.554 -0.089 0.000 2.802 222 T HA 0.610 4.964 4.350 0.005 0.000 0.311 222 T C -0.516 174.152 174.700 -0.053 0.000 1.405 222 T CA -0.477 61.560 62.100 -0.104 0.000 1.016 222 T CB 1.458 70.222 68.868 -0.173 0.000 1.352 222 T HN 1.147 nan 8.240 nan 0.000 0.498 223 T N 0.133 114.630 114.554 -0.095 0.000 2.882 223 T HA 0.397 4.751 4.350 0.005 0.000 0.287 223 T C 1.488 176.194 174.700 0.009 0.000 1.014 223 T CA 0.146 62.204 62.100 -0.070 0.000 1.049 223 T CB 0.941 69.579 68.868 -0.383 0.000 1.001 223 T HN 0.743 nan 8.240 nan 0.000 0.525 224 T N -2.251 112.393 114.554 0.151 0.000 3.065 224 T HA 0.061 4.415 4.350 0.005 0.000 0.252 224 T C 0.996 175.819 174.700 0.204 0.000 1.099 224 T CA 0.068 62.298 62.100 0.217 0.000 1.063 224 T CB -0.513 68.476 68.868 0.203 0.000 0.948 224 T HN 0.905 nan 8.240 nan 0.000 0.506 225 H N 0.916 120.021 119.070 0.058 0.000 2.497 225 H HA 0.646 5.205 4.556 0.005 0.000 0.331 225 H C 0.403 175.758 175.328 0.047 0.000 1.457 225 H CA -0.582 55.495 56.048 0.049 0.000 1.459 225 H CB 0.759 30.534 29.762 0.020 0.000 1.728 225 H HN 0.137 nan 8.280 nan 0.000 0.691 226 K N -1.940 118.468 120.400 0.013 0.000 6.926 226 K HA -0.215 4.108 4.320 0.005 0.000 0.256 226 K C 1.459 178.077 176.600 0.031 0.000 1.625 226 K CA 1.069 57.330 56.287 -0.044 0.000 0.860 226 K CB -1.902 30.481 32.500 -0.196 0.000 0.721 226 K HN 0.787 nan 8.250 nan 0.000 0.467 227 T N 0.103 114.648 114.554 -0.015 0.000 2.915 227 T HA -0.076 4.277 4.350 0.005 0.000 0.269 227 T C 1.695 176.536 174.700 0.234 0.000 1.071 227 T CA 1.556 63.666 62.100 0.016 0.000 1.132 227 T CB -0.042 68.716 68.868 -0.185 0.000 0.878 227 T HN 0.311 nan 8.240 nan 0.000 0.479 228 L N 1.052 122.416 121.223 0.235 0.000 2.465 228 L HA 0.357 4.700 4.340 0.005 0.000 0.224 228 L C 1.650 178.720 176.870 0.333 0.000 1.145 228 L CA 0.931 55.984 54.840 0.355 0.000 0.834 228 L CB -1.179 41.055 42.059 0.291 0.000 0.944 228 L HN 0.442 nan 8.230 nan 0.000 0.451 229 R N -1.273 119.386 120.500 0.263 0.000 3.651 229 R HA -0.153 4.190 4.340 0.005 0.000 0.292 229 R C 0.512 176.906 176.300 0.157 0.000 1.161 229 R CA 0.470 56.701 56.100 0.218 0.000 0.787 229 R CB -1.727 28.735 30.300 0.270 0.000 1.249 229 R HN 0.546 nan 8.270 nan 0.000 0.476 230 G N 0.002 108.893 108.800 0.151 0.000 2.753 230 G HA2 0.680 4.644 3.960 0.005 0.000 0.285 230 G HA3 0.680 4.644 3.960 0.005 0.000 0.285 230 G C -2.588 172.365 174.900 0.088 0.000 1.344 230 G CA -1.009 44.141 45.100 0.083 0.000 1.050 230 G HN 0.101 nan 8.290 nan 0.000 0.532 231 P HA 0.175 nan 4.420 nan 0.000 0.272 231 P C -0.548 176.759 177.300 0.011 0.000 1.240 231 P CA -0.320 62.775 63.100 -0.008 0.000 0.791 231 P CB 0.900 32.561 31.700 -0.065 0.000 0.978 232 R N 0.667 121.097 120.500 -0.117 0.000 2.401 232 R HA 0.550 4.893 4.340 0.005 0.000 0.299 232 R C 0.845 177.095 176.300 -0.084 0.000 1.064 232 R CA 0.395 56.307 56.100 -0.313 0.000 1.000 232 R CB -0.116 29.877 30.300 -0.512 0.000 0.973 232 R HN 0.821 nan 8.270 nan 0.000 0.438 233 G N 0.688 109.545 108.800 0.095 0.000 2.317 233 G HA2 0.396 4.359 3.960 0.005 0.000 0.293 233 G HA3 0.396 4.359 3.960 0.005 0.000 0.293 233 G C -1.344 173.647 174.900 0.152 0.000 1.287 233 G CA -0.407 44.750 45.100 0.095 0.000 0.850 233 G HN 0.706 nan 8.290 nan 0.000 0.515 234 G N -1.340 107.520 108.800 0.100 0.000 2.600 234 G HA2 0.825 4.789 3.960 0.005 0.000 0.303 234 G HA3 0.825 4.789 3.960 0.005 0.000 0.303 234 G C -0.813 174.134 174.900 0.079 0.000 1.253 234 G CA -0.409 44.739 45.100 0.080 0.000 0.974 234 G HN 1.182 nan 8.290 nan 0.000 0.483 235 M N 0.065 119.700 119.600 0.058 0.000 2.414 235 M HA 0.591 5.074 4.480 0.005 0.000 0.287 235 M C -2.117 174.191 176.300 0.014 0.000 1.181 235 M CA -0.599 54.736 55.300 0.058 0.000 0.933 235 M CB 2.156 34.818 32.600 0.104 0.000 1.732 235 M HN 0.403 nan 8.290 nan 0.000 0.486 236 I N 4.774 125.356 120.570 0.020 0.000 2.465 236 I HA 0.504 4.677 4.170 0.005 0.000 0.291 236 I C -1.269 174.856 176.117 0.013 0.000 1.014 236 I CA -0.731 60.585 61.300 0.027 0.000 1.093 236 I CB 2.024 40.069 38.000 0.074 0.000 1.267 236 I HN 0.592 nan 8.210 nan 0.000 0.431 237 L N 6.166 127.392 121.223 0.005 0.000 2.346 237 L HA 0.799 5.143 4.340 0.005 0.000 0.276 237 L C -0.593 176.325 176.870 0.080 0.000 1.006 237 L CA -0.639 54.202 54.840 0.001 0.000 0.817 237 L CB 1.817 43.831 42.059 -0.075 0.000 1.272 237 L HN 0.779 nan 8.230 nan 0.000 0.421 238 C N -0.413 118.960 119.300 0.122 0.000 3.311 238 C HA 0.521 4.984 4.460 0.005 0.000 0.325 238 C C -0.703 174.355 174.990 0.114 0.000 1.352 238 C CA -1.362 57.737 59.018 0.135 0.000 1.308 238 C CB 1.869 29.783 27.740 0.289 0.000 1.619 238 C HN 0.715 nan 8.230 nan 0.000 0.469 239 K N 1.070 121.515 120.400 0.074 0.000 2.380 239 K HA 0.091 4.415 4.320 0.005 0.000 0.267 239 K C 1.026 177.608 176.600 -0.030 0.000 0.990 239 K CA 0.317 56.607 56.287 0.005 0.000 0.946 239 K CB 0.852 33.316 32.500 -0.060 0.000 0.937 239 K HN 0.946 nan 8.250 nan 0.000 0.491 240 E N 2.221 122.376 120.200 -0.075 0.000 2.209 240 E HA -0.211 4.142 4.350 0.005 0.000 0.196 240 E C 1.381 177.865 176.600 -0.194 0.000 0.993 240 E CA 1.545 57.886 56.400 -0.098 0.000 0.819 240 E CB 0.146 29.798 29.700 -0.080 0.000 0.745 240 E HN 0.579 nan 8.360 nan 0.000 0.477 241 E N -0.711 119.289 120.200 -0.334 0.000 2.338 241 E HA -0.205 4.148 4.350 0.005 0.000 0.197 241 E C 0.756 177.074 176.600 -0.470 0.000 1.007 241 E CA 0.938 57.064 56.400 -0.455 0.000 0.849 241 E CB -0.378 28.961 29.700 -0.602 0.000 0.774 241 E HN 0.479 nan 8.360 nan 0.000 0.506 242 Y N 1.268 121.526 120.300 -0.069 0.000 2.458 242 Y HA 0.214 4.767 4.550 0.005 0.000 0.256 242 Y C 2.212 178.091 175.900 -0.034 0.000 1.159 242 Y CA -0.240 57.865 58.100 0.007 0.000 1.261 242 Y CB 0.181 38.705 38.460 0.107 0.000 1.119 242 Y HN -0.010 nan 8.280 nan 0.000 0.524 243 K N 1.511 121.864 120.400 -0.078 0.000 2.063 243 K HA -0.220 4.103 4.320 0.005 0.000 0.208 243 K C 1.467 177.905 176.600 -0.271 0.000 1.048 243 K CA 1.782 57.832 56.287 -0.395 0.000 0.928 243 K CB -0.033 32.016 32.500 -0.752 0.000 0.713 243 K HN 0.227 nan 8.250 nan 0.000 0.442 244 K N 0.476 120.784 120.400 -0.153 0.000 2.026 244 K HA -0.123 4.200 4.320 0.005 0.000 0.208 244 K C 1.963 178.549 176.600 -0.023 0.000 1.048 244 K CA 1.839 58.072 56.287 -0.090 0.000 0.929 244 K CB -0.110 32.357 32.500 -0.055 0.000 0.713 244 K HN 0.210 nan 8.250 nan 0.000 0.439 245 D N 0.739 121.156 120.400 0.029 0.000 2.117 245 D HA -0.120 4.523 4.640 0.005 0.000 0.197 245 D C 1.890 178.226 176.300 0.060 0.000 0.987 245 D CA 0.846 54.882 54.000 0.059 0.000 0.829 245 D CB -0.066 40.800 40.800 0.111 0.000 0.961 245 D HN 0.044 nan 8.370 nan 0.000 0.460 246 I N 1.439 122.064 120.570 0.091 0.000 2.127 246 I HA -0.229 3.944 4.170 0.005 0.000 0.241 246 I C 1.696 177.861 176.117 0.079 0.000 1.075 246 I CA 1.392 62.749 61.300 0.095 0.000 1.334 246 I CB -0.757 37.350 38.000 0.178 0.000 1.040 246 I HN -0.032 nan 8.210 nan 0.000 0.405 247 D N 0.938 121.355 120.400 0.028 0.000 2.144 247 D HA -0.185 4.458 4.640 0.005 0.000 0.199 247 D C 2.115 178.515 176.300 0.167 0.000 0.984 247 D CA 1.197 55.199 54.000 0.002 0.000 0.834 247 D CB -0.153 40.420 40.800 -0.379 0.000 0.955 247 D HN 0.524 nan 8.370 nan 0.000 0.465 248 K N 0.036 120.486 120.400 0.084 0.000 2.296 248 K HA 0.031 4.355 4.320 0.005 0.000 0.200 248 K C 1.581 178.186 176.600 0.008 0.000 1.048 248 K CA 0.919 57.242 56.287 0.060 0.000 0.966 248 K CB -0.104 32.406 32.500 0.015 0.000 0.754 248 K HN -0.122 nan 8.250 nan 0.000 0.466 249 T N 1.743 116.311 114.554 0.022 0.000 2.857 249 T HA 0.029 4.382 4.350 0.005 0.000 0.266 249 T C 1.831 176.530 174.700 -0.001 0.000 1.048 249 T CA 0.630 62.724 62.100 -0.010 0.000 1.139 249 T CB 0.007 68.867 68.868 -0.014 0.000 0.874 249 T HN 0.098 nan 8.240 nan 0.000 0.455 250 I N -0.129 120.479 120.570 0.064 0.000 2.202 250 I HA 0.097 4.270 4.170 0.005 0.000 0.242 250 I C 0.553 176.741 176.117 0.117 0.000 1.091 250 I CA 1.161 62.507 61.300 0.077 0.000 1.368 250 I CB -0.317 37.769 38.000 0.144 0.000 1.058 250 I HN 0.223 nan 8.210 nan 0.000 0.410 251 F N 2.915 122.888 119.950 0.038 0.000 2.585 251 F HA 0.441 4.971 4.527 0.005 0.000 0.319 251 F C -2.396 173.396 175.800 -0.013 0.000 1.165 251 F CA -2.034 55.931 58.000 -0.058 0.000 0.949 251 F CB 1.870 40.752 39.000 -0.198 0.000 1.218 251 F HN -0.240 nan 8.300 nan 0.000 0.453 252 P HA 0.206 nan 4.420 nan 0.000 0.258 252 P C 1.046 178.135 177.300 -0.350 0.000 1.416 252 P CA 0.432 62.956 63.100 -0.960 0.000 0.927 252 P CB 0.530 31.608 31.700 -1.036 0.000 1.444 253 G N 2.352 111.024 108.800 -0.215 0.000 2.480 253 G HA2 -0.215 3.748 3.960 0.005 0.000 0.216 253 G HA3 -0.215 3.748 3.960 0.005 0.000 0.216 253 G C 1.305 176.143 174.900 -0.105 0.000 1.200 253 G CA 1.175 46.196 45.100 -0.131 0.000 0.782 253 G HN 0.460 nan 8.290 nan 0.000 0.554 254 I N -3.729 116.792 120.570 -0.081 0.000 4.439 254 I HA 0.438 4.611 4.170 0.005 0.000 0.331 254 I C 0.256 176.347 176.117 -0.043 0.000 1.345 254 I CA -0.278 60.977 61.300 -0.074 0.000 1.193 254 I CB 0.516 38.454 38.000 -0.102 0.000 1.221 254 I HN 0.064 nan 8.210 nan 0.000 0.429 255 Q N 0.951 120.738 119.800 -0.022 0.000 2.552 255 Q HA 0.672 5.015 4.340 0.005 0.000 0.289 255 Q C -0.072 176.002 176.000 0.122 0.000 1.097 255 Q CA -0.506 55.305 55.803 0.013 0.000 0.812 255 Q CB 2.532 31.178 28.738 -0.153 0.000 1.460 255 Q HN 0.223 nan 8.270 nan 0.000 0.452 256 G N -0.330 108.534 108.800 0.107 0.000 3.345 256 G HA2 0.491 4.454 3.960 0.005 0.000 0.202 256 G HA3 0.491 4.454 3.960 0.005 0.000 0.202 256 G C -0.178 174.592 174.900 -0.217 0.000 1.740 256 G CA -0.083 45.066 45.100 0.083 0.000 0.806 256 G HN 0.576 nan 8.290 nan 0.000 0.718 257 G N 1.430 110.021 108.800 -0.348 0.000 2.483 257 G HA2 0.509 4.472 3.960 0.005 0.000 0.248 257 G HA3 0.509 4.472 3.960 0.005 0.000 0.248 257 G C -2.133 172.635 174.900 -0.219 0.000 1.248 257 G CA -0.423 44.373 45.100 -0.507 0.000 0.838 257 G HN 0.403 nan 8.290 nan 0.000 0.566 258 P HA 0.221 nan 4.420 nan 0.000 0.276 258 P C -0.282 177.025 177.300 0.013 0.000 1.252 258 P CA -0.558 62.497 63.100 -0.076 0.000 0.802 258 P CB 1.283 32.880 31.700 -0.170 0.000 1.035 259 L N 2.212 123.470 121.223 0.059 0.000 2.328 259 L HA 0.148 4.492 4.340 0.005 0.000 0.280 259 L C 1.609 178.438 176.870 -0.068 0.000 1.111 259 L CA -0.171 54.658 54.840 -0.018 0.000 0.909 259 L CB 0.031 41.979 42.059 -0.186 0.000 1.277 259 L HN 0.306 nan 8.230 nan 0.000 0.433 260 E N 1.455 121.714 120.200 0.100 0.000 2.208 260 E HA -0.169 4.184 4.350 0.005 0.000 0.193 260 E C 1.869 178.511 176.600 0.069 0.000 0.988 260 E CA 0.790 57.223 56.400 0.056 0.000 0.828 260 E CB 0.072 29.808 29.700 0.060 0.000 0.763 260 E HN 0.694 nan 8.360 nan 0.000 0.478 261 H N 0.220 119.273 119.070 -0.029 0.000 2.319 261 H HA -0.051 4.508 4.556 0.005 0.000 0.299 261 H C 2.141 177.444 175.328 -0.042 0.000 1.092 261 H CA 1.251 57.279 56.048 -0.033 0.000 1.302 261 H CB -1.055 28.686 29.762 -0.035 0.000 1.373 261 H HN -0.051 nan 8.280 nan 0.000 0.497 262 V N 1.637 121.243 119.914 -0.513 0.000 2.358 262 V HA -0.186 3.937 4.120 0.005 0.000 0.246 262 V C 3.036 179.014 176.094 -0.194 0.000 1.047 262 V CA 1.629 63.725 62.300 -0.339 0.000 1.035 262 V CB -0.633 30.969 31.823 -0.368 0.000 0.658 262 V HN 0.238 nan 8.190 nan 0.000 0.452 263 I N 0.651 121.128 120.570 -0.154 0.000 2.286 263 I HA -0.248 3.925 4.170 0.005 0.000 0.248 263 I C 2.624 178.671 176.117 -0.116 0.000 1.115 263 I CA 1.451 62.686 61.300 -0.109 0.000 1.392 263 I CB -0.523 37.444 38.000 -0.056 0.000 1.065 263 I HN 0.285 nan 8.210 nan 0.000 0.418 264 A N 0.628 123.402 122.820 -0.077 0.000 1.933 264 A HA -0.131 4.192 4.320 0.005 0.000 0.218 264 A C 2.535 180.057 177.584 -0.104 0.000 1.175 264 A CA 1.717 53.718 52.037 -0.061 0.000 0.628 264 A CB -0.755 18.237 19.000 -0.014 0.000 0.814 264 A HN 0.421 nan 8.150 nan 0.000 0.444 265 A N -0.097 122.653 122.820 -0.116 0.000 1.969 265 A HA -0.130 4.193 4.320 0.005 0.000 0.218 265 A C 2.070 179.516 177.584 -0.229 0.000 1.169 265 A CA 1.701 53.660 52.037 -0.130 0.000 0.635 265 A CB -0.376 18.564 19.000 -0.101 0.000 0.810 265 A HN 0.566 nan 8.150 nan 0.000 0.445 266 K N -0.104 120.099 120.400 -0.328 0.000 2.026 266 K HA -0.083 4.240 4.320 0.005 0.000 0.208 266 K C 2.353 178.382 176.600 -0.952 0.000 1.048 266 K CA 1.196 57.068 56.287 -0.692 0.000 0.929 266 K CB -0.395 31.698 32.500 -0.678 0.000 0.713 266 K HN 0.418 nan 8.250 nan 0.000 0.439 267 A N 1.273 123.794 122.820 -0.499 0.000 1.892 267 A HA -0.166 4.157 4.320 0.005 0.000 0.218 267 A C 2.445 179.925 177.584 -0.173 0.000 1.188 267 A CA 1.775 53.660 52.037 -0.253 0.000 0.631 267 A CB -0.884 18.066 19.000 -0.084 0.000 0.822 267 A HN 0.086 nan 8.150 nan 0.000 0.447 268 V N -0.165 119.654 119.914 -0.158 0.000 2.287 268 V HA -0.279 3.844 4.120 0.005 0.000 0.248 268 V C 3.069 179.106 176.094 -0.095 0.000 1.053 268 V CA 2.090 64.334 62.300 -0.093 0.000 1.027 268 V CB -1.360 30.422 31.823 -0.069 0.000 0.646 268 V HN 0.640 nan 8.190 nan 0.000 0.447 269 A N -0.286 122.439 122.820 -0.158 0.000 1.940 269 A HA -0.187 4.137 4.320 0.005 0.000 0.219 269 A C 2.029 179.605 177.584 -0.013 0.000 1.176 269 A CA 1.884 53.861 52.037 -0.099 0.000 0.631 269 A CB -0.647 18.287 19.000 -0.110 0.000 0.814 269 A HN 0.465 nan 8.150 nan 0.000 0.446 270 F N 0.284 120.174 119.950 -0.100 0.000 2.186 270 F HA 0.023 4.554 4.527 0.005 0.000 0.299 270 F C 2.653 178.349 175.800 -0.174 0.000 1.090 270 F CA 0.275 58.188 58.000 -0.144 0.000 1.307 270 F CB -1.526 37.425 39.000 -0.082 0.000 1.019 270 F HN 0.260 nan 8.300 nan 0.000 0.489 271 G N -0.095 108.744 108.800 0.065 0.000 2.446 271 G HA2 -0.261 3.702 3.960 0.005 0.000 0.217 271 G HA3 -0.261 3.702 3.960 0.005 0.000 0.217 271 G C 1.612 176.485 174.900 -0.046 0.000 1.168 271 G CA 0.895 45.995 45.100 -0.001 0.000 0.771 271 G HN 0.369 nan 8.290 nan 0.000 0.551 272 E N 0.463 120.623 120.200 -0.065 0.000 2.110 272 E HA -0.031 4.323 4.350 0.005 0.000 0.193 272 E C 2.819 179.287 176.600 -0.219 0.000 0.988 272 E CA 0.775 57.127 56.400 -0.080 0.000 0.804 272 E CB -0.168 29.504 29.700 -0.048 0.000 0.745 272 E HN 0.438 nan 8.360 nan 0.000 0.458 273 A N 0.603 123.144 122.820 -0.465 0.000 2.119 273 A HA -0.038 4.285 4.320 0.005 0.000 0.217 273 A C 1.994 179.309 177.584 -0.448 0.000 1.153 273 A CA 0.581 51.992 52.037 -1.043 0.000 0.692 273 A CB -0.230 18.144 19.000 -1.044 0.000 0.799 273 A HN 0.130 nan 8.150 nan 0.000 0.458 274 L N -0.280 120.815 121.223 -0.214 0.000 2.492 274 L HA 0.021 4.364 4.340 0.005 0.000 0.223 274 L C 0.539 177.398 176.870 -0.019 0.000 1.132 274 L CA 0.116 54.893 54.840 -0.105 0.000 0.850 274 L CB -0.114 41.897 42.059 -0.080 0.000 0.966 274 L HN 0.389 nan 8.230 nan 0.000 0.454 275 E N 0.057 120.264 120.200 0.013 0.000 2.366 275 E HA -0.002 4.352 4.350 0.005 0.000 0.266 275 E C 0.502 177.174 176.600 0.120 0.000 1.051 275 E CA -0.420 56.018 56.400 0.063 0.000 0.884 275 E CB 0.532 30.275 29.700 0.071 0.000 1.006 275 E HN 0.120 nan 8.360 nan 0.000 0.417 276 N N 2.218 120.974 118.700 0.094 0.000 2.137 276 N HA -0.205 4.538 4.740 0.005 0.000 0.190 276 N C 1.351 176.939 175.510 0.130 0.000 1.017 276 N CA 1.625 54.735 53.050 0.100 0.000 0.859 276 N CB -0.369 38.159 38.487 0.068 0.000 1.002 276 N HN 0.550 nan 8.380 nan 0.000 0.428 277 N N 0.142 118.925 118.700 0.138 0.000 2.381 277 N HA -0.124 4.620 4.740 0.005 0.000 0.182 277 N C 1.578 177.222 175.510 0.223 0.000 1.025 277 N CA 0.494 53.634 53.050 0.149 0.000 0.888 277 N CB -0.813 37.748 38.487 0.123 0.000 0.965 277 N HN 0.227 nan 8.380 nan 0.000 0.438 278 F N 1.118 121.129 119.950 0.101 0.000 2.134 278 F HA -0.067 4.463 4.527 0.005 0.000 0.299 278 F C 2.418 178.317 175.800 0.165 0.000 1.097 278 F CA 1.220 59.314 58.000 0.157 0.000 1.264 278 F CB -0.037 39.030 39.000 0.112 0.000 1.001 278 F HN 0.037 nan 8.300 nan 0.000 0.479 279 K N -0.379 120.135 120.400 0.191 0.000 2.057 279 K HA -0.160 4.163 4.320 0.005 0.000 0.207 279 K C 1.877 178.470 176.600 -0.012 0.000 1.049 279 K CA 2.001 58.321 56.287 0.056 0.000 0.931 279 K CB -0.401 32.149 32.500 0.083 0.000 0.714 279 K HN 0.180 nan 8.250 nan 0.000 0.440 280 T N 0.361 114.938 114.554 0.038 0.000 2.699 280 T HA -0.224 4.129 4.350 0.005 0.000 0.268 280 T C 1.462 176.166 174.700 0.008 0.000 1.036 280 T CA 1.696 63.814 62.100 0.030 0.000 1.147 280 T CB -0.530 68.378 68.868 0.066 0.000 0.862 280 T HN 0.417 nan 8.240 nan 0.000 0.446 281 Y N 2.177 122.418 120.300 -0.098 0.000 2.114 281 Y HA -0.173 4.380 4.550 0.005 0.000 0.284 281 Y C 2.540 178.318 175.900 -0.203 0.000 1.143 281 Y CA 1.337 59.350 58.100 -0.144 0.000 1.135 281 Y CB -0.557 37.791 38.460 -0.186 0.000 0.980 281 Y HN 0.056 nan 8.280 nan 0.000 0.499 282 Q N 0.591 120.026 119.800 -0.609 0.000 2.124 282 Q HA -0.228 4.116 4.340 0.005 0.000 0.202 282 Q C 2.200 177.988 176.000 -0.352 0.000 0.977 282 Q CA 1.962 57.389 55.803 -0.627 0.000 0.850 282 Q CB -0.483 27.982 28.738 -0.456 0.000 0.901 282 Q HN 0.713 nan 8.270 nan 0.000 0.429 283 Q N 0.282 119.954 119.800 -0.214 0.000 2.096 283 Q HA -0.242 4.101 4.340 0.005 0.000 0.204 283 Q C 2.122 178.040 176.000 -0.136 0.000 0.982 283 Q CA 1.625 57.350 55.803 -0.129 0.000 0.850 283 Q CB -0.093 28.605 28.738 -0.068 0.000 0.901 283 Q HN 0.256 nan 8.270 nan 0.000 0.422 284 Q N 0.278 119.988 119.800 -0.150 0.000 2.119 284 Q HA -0.119 4.224 4.340 0.005 0.000 0.201 284 Q C 1.946 177.838 176.000 -0.179 0.000 0.972 284 Q CA 1.204 56.938 55.803 -0.115 0.000 0.847 284 Q CB -0.093 28.616 28.738 -0.048 0.000 0.903 284 Q HN 0.199 nan 8.270 nan 0.000 0.433 285 V N -0.610 119.106 119.914 -0.330 0.000 2.252 285 V HA -0.285 3.839 4.120 0.005 0.000 0.249 285 V C 2.192 178.145 176.094 -0.234 0.000 1.056 285 V CA 1.869 63.968 62.300 -0.336 0.000 1.022 285 V CB -0.641 30.881 31.823 -0.502 0.000 0.641 285 V HN 0.276 nan 8.190 nan 0.000 0.445 286 V N -0.298 119.502 119.914 -0.191 0.000 2.453 286 V HA -0.205 3.918 4.120 0.005 0.000 0.247 286 V C 2.432 178.452 176.094 -0.124 0.000 1.048 286 V CA 2.063 64.287 62.300 -0.127 0.000 1.049 286 V CB -0.642 31.129 31.823 -0.088 0.000 0.672 286 V HN 0.512 nan 8.190 nan 0.000 0.457 287 K N 1.164 121.496 120.400 -0.113 0.000 2.057 287 K HA -0.162 4.161 4.320 0.005 0.000 0.207 287 K C 1.852 178.385 176.600 -0.111 0.000 1.049 287 K CA 1.690 57.926 56.287 -0.086 0.000 0.931 287 K CB -0.518 31.949 32.500 -0.055 0.000 0.714 287 K HN 0.397 nan 8.250 nan 0.000 0.440 288 N N 0.371 118.972 118.700 -0.166 0.000 2.120 288 N HA -0.122 4.621 4.740 0.005 0.000 0.188 288 N C 1.542 176.795 175.510 -0.429 0.000 1.024 288 N CA 1.524 54.403 53.050 -0.285 0.000 0.852 288 N CB -0.497 37.733 38.487 -0.428 0.000 1.003 288 N HN 0.352 nan 8.380 nan 0.000 0.424 289 A N 1.431 124.033 122.820 -0.363 0.000 1.930 289 A HA -0.082 4.241 4.320 0.005 0.000 0.217 289 A C 2.089 179.565 177.584 -0.181 0.000 1.175 289 A CA 1.046 52.900 52.037 -0.304 0.000 0.627 289 A CB -0.161 18.705 19.000 -0.224 0.000 0.815 289 A HN 0.107 nan 8.150 nan 0.000 0.443 290 K N -0.167 120.152 120.400 -0.134 0.000 2.057 290 K HA -0.077 4.246 4.320 0.005 0.000 0.207 290 K C 1.977 178.544 176.600 -0.054 0.000 1.049 290 K CA 1.355 57.594 56.287 -0.081 0.000 0.931 290 K CB -0.765 31.698 32.500 -0.062 0.000 0.714 290 K HN 0.339 nan 8.250 nan 0.000 0.440 291 V N 1.902 121.787 119.914 -0.049 0.000 2.343 291 V HA -0.233 3.890 4.120 0.005 0.000 0.247 291 V C 2.387 178.495 176.094 0.022 0.000 1.051 291 V CA 1.378 63.680 62.300 0.003 0.000 1.036 291 V CB -0.424 31.423 31.823 0.040 0.000 0.654 291 V HN 0.183 nan 8.190 nan 0.000 0.451 292 L N 0.795 122.013 121.223 -0.008 0.000 2.027 292 L HA -0.049 4.294 4.340 0.005 0.000 0.206 292 L C 2.440 179.312 176.870 0.003 0.000 1.074 292 L CA 2.400 57.261 54.840 0.037 0.000 0.745 292 L CB -1.046 41.007 42.059 -0.010 0.000 0.898 292 L HN 0.214 nan 8.230 nan 0.000 0.433 293 A N -0.691 122.109 122.820 -0.034 0.000 1.883 293 A HA -0.239 4.084 4.320 0.005 0.000 0.217 293 A C 2.194 179.782 177.584 0.007 0.000 1.186 293 A CA 1.967 53.989 52.037 -0.025 0.000 0.624 293 A CB -0.688 18.284 19.000 -0.046 0.000 0.822 293 A HN 0.616 nan 8.150 nan 0.000 0.444 294 E N -0.448 119.756 120.200 0.007 0.000 2.106 294 E HA -0.033 4.320 4.350 0.005 0.000 0.192 294 E C 2.304 178.929 176.600 0.042 0.000 0.984 294 E CA 0.788 57.201 56.400 0.022 0.000 0.806 294 E CB -0.263 29.445 29.700 0.013 0.000 0.750 294 E HN 0.613 nan 8.360 nan 0.000 0.458 295 A N 1.156 124.005 122.820 0.047 0.000 1.902 295 A HA -0.153 4.170 4.320 0.005 0.000 0.217 295 A C 2.165 179.801 177.584 0.086 0.000 1.181 295 A CA 0.997 53.073 52.037 0.064 0.000 0.623 295 A CB -0.571 18.471 19.000 0.070 0.000 0.818 295 A HN 0.133 nan 8.150 nan 0.000 0.443 296 L N -0.647 120.621 121.223 0.074 0.000 2.056 296 L HA -0.166 4.177 4.340 0.005 0.000 0.207 296 L C 2.461 179.473 176.870 0.237 0.000 1.078 296 L CA 1.149 56.060 54.840 0.118 0.000 0.749 296 L CB -0.479 41.568 42.059 -0.020 0.000 0.901 296 L HN 0.380 nan 8.230 nan 0.000 0.433 297 I N 0.114 120.770 120.570 0.143 0.000 2.208 297 I HA -0.318 3.855 4.170 0.005 0.000 0.245 297 I C 2.038 178.215 176.117 0.101 0.000 1.097 297 I CA 1.172 62.544 61.300 0.119 0.000 1.363 297 I CB -0.413 37.627 38.000 0.066 0.000 1.051 297 I HN 0.363 nan 8.210 nan 0.000 0.413 298 N N 0.646 119.399 118.700 0.089 0.000 2.364 298 N HA -0.139 4.604 4.740 0.005 0.000 0.183 298 N C 1.339 176.898 175.510 0.082 0.000 1.022 298 N CA 0.933 54.025 53.050 0.069 0.000 0.883 298 N CB -0.196 38.326 38.487 0.058 0.000 0.965 298 N HN 0.411 nan 8.380 nan 0.000 0.438 299 E N -0.412 119.876 120.200 0.146 0.000 2.465 299 E HA 0.145 4.498 4.350 0.005 0.000 0.191 299 E C 0.787 177.421 176.600 0.057 0.000 1.053 299 E CA 0.025 56.524 56.400 0.164 0.000 0.869 299 E CB 0.122 30.010 29.700 0.313 0.000 0.977 299 E HN 0.368 nan 8.360 nan 0.000 0.483 300 G N 1.213 110.027 108.800 0.023 0.000 2.141 300 G HA2 -0.254 3.709 3.960 0.005 0.000 0.231 300 G HA3 -0.254 3.709 3.960 0.005 0.000 0.231 300 G C -0.085 174.668 174.900 -0.244 0.000 0.984 300 G CA -0.348 44.676 45.100 -0.128 0.000 0.660 300 G HN 0.170 nan 8.290 nan 0.000 0.525 301 F N 0.652 120.608 119.950 0.011 0.000 2.385 301 F HA 0.627 5.157 4.527 0.005 0.000 0.336 301 F C 1.029 176.833 175.800 0.007 0.000 1.100 301 F CA -0.769 57.237 58.000 0.010 0.000 1.116 301 F CB 1.097 40.105 39.000 0.013 0.000 1.166 301 F HN 0.040 nan 8.300 nan 0.000 0.511 302 R N 3.635 124.238 120.500 0.172 0.000 2.297 302 R HA 0.453 4.796 4.340 0.005 0.000 0.308 302 R C -1.126 175.239 176.300 0.108 0.000 1.029 302 R CA -0.555 55.607 56.100 0.103 0.000 0.929 302 R CB 0.507 30.844 30.300 0.061 0.000 1.046 302 R HN 0.489 nan 8.270 nan 0.000 0.461 303 I N 4.900 125.511 120.570 0.068 0.000 2.377 303 I HA 0.178 4.351 4.170 0.005 0.000 0.293 303 I C 0.277 176.406 176.117 0.021 0.000 0.987 303 I CA -0.884 60.437 61.300 0.036 0.000 1.185 303 I CB 1.614 39.622 38.000 0.015 0.000 1.341 303 I HN 0.376 nan 8.210 nan 0.000 0.455 304 V N 6.235 126.155 119.914 0.012 0.000 2.540 304 V HA 0.056 4.179 4.120 0.005 0.000 0.297 304 V C 1.238 177.331 176.094 -0.001 0.000 1.024 304 V CA 1.093 63.403 62.300 0.016 0.000 1.105 304 V CB 0.536 32.368 31.823 0.015 0.000 0.938 304 V HN 1.156 nan 8.190 nan 0.000 0.482 305 S N 2.779 118.490 115.700 0.018 0.000 2.929 305 S HA -0.205 4.268 4.470 0.005 0.000 0.271 305 S C 1.350 175.947 174.600 -0.005 0.000 1.295 305 S CA 1.245 59.451 58.200 0.009 0.000 1.277 305 S CB -1.822 61.366 63.200 -0.020 0.000 1.557 305 S HN 2.792 nan 8.310 nan 0.000 0.666 306 G N -0.643 108.156 108.800 -0.001 0.000 2.176 306 G HA2 0.323 4.286 3.960 0.005 0.000 0.253 306 G HA3 0.323 4.286 3.960 0.005 0.000 0.253 306 G C 0.978 175.870 174.900 -0.013 0.000 0.979 306 G CA 0.625 45.724 45.100 -0.001 0.000 0.641 306 G HN 2.582 nan 8.290 nan 0.000 0.530 307 G N -2.557 106.224 108.800 -0.033 0.000 2.404 307 G HA2 0.678 4.641 3.960 0.005 0.000 0.253 307 G HA3 0.678 4.641 3.960 0.005 0.000 0.253 307 G C -0.713 174.136 174.900 -0.084 0.000 1.253 307 G CA 0.951 46.022 45.100 -0.049 0.000 0.917 307 G HN 1.716 nan 8.290 nan 0.000 0.480 308 T N -1.082 113.415 114.554 -0.095 0.000 2.889 308 T HA 0.557 4.910 4.350 0.005 0.000 0.315 308 T C -1.043 173.591 174.700 -0.110 0.000 1.291 308 T CA 0.006 62.028 62.100 -0.129 0.000 1.028 308 T CB 1.888 70.671 68.868 -0.141 0.000 1.235 308 T HN 0.302 nan 8.240 nan 0.000 0.491 309 D N 1.876 122.203 120.400 -0.121 0.000 2.407 309 D HA 0.180 4.823 4.640 0.005 0.000 0.208 309 D C 0.641 176.917 176.300 -0.040 0.000 1.083 309 D CA 0.264 54.218 54.000 -0.078 0.000 0.844 309 D CB 0.490 41.245 40.800 -0.076 0.000 0.967 309 D HN 0.664 nan 8.370 nan 0.000 0.506 310 N N -0.636 118.032 118.700 -0.053 0.000 3.550 310 N HA -0.022 4.721 4.740 0.005 0.000 0.357 310 N C 0.807 176.306 175.510 -0.019 0.000 1.585 310 N CA -0.414 52.653 53.050 0.028 0.000 0.651 310 N CB -0.208 38.359 38.487 0.134 0.000 2.273 310 N HN -0.150 nan 8.380 nan 0.000 0.631 311 H N -0.853 118.159 119.070 -0.097 0.000 2.539 311 H HA 0.415 4.974 4.556 0.005 0.000 0.267 311 H C -0.236 175.014 175.328 -0.130 0.000 0.982 311 H CA -0.168 55.801 56.048 -0.133 0.000 1.146 311 H CB -0.107 29.587 29.762 -0.113 0.000 1.382 311 H HN 0.211 nan 8.280 nan 0.000 0.577 312 L N 1.342 122.255 121.223 -0.517 0.000 2.325 312 L HA 0.492 4.835 4.340 0.005 0.000 0.278 312 L C -0.652 176.063 176.870 -0.259 0.000 1.023 312 L CA -1.139 53.439 54.840 -0.437 0.000 0.811 312 L CB 2.645 44.388 42.059 -0.526 0.000 1.249 312 L HN -0.140 nan 8.230 nan 0.000 0.431 313 V N 2.036 121.836 119.914 -0.190 0.000 2.482 313 V HA 0.590 4.713 4.120 0.005 0.000 0.295 313 V C -0.198 175.831 176.094 -0.109 0.000 1.026 313 V CA -0.573 61.644 62.300 -0.138 0.000 0.856 313 V CB 1.684 33.438 31.823 -0.115 0.000 1.001 313 V HN 0.823 nan 8.190 nan 0.000 0.424 314 A N 5.041 127.806 122.820 -0.092 0.000 2.271 314 A HA 0.842 5.165 4.320 0.005 0.000 0.317 314 A C -0.612 176.952 177.584 -0.032 0.000 1.245 314 A CA -0.478 51.521 52.037 -0.064 0.000 0.857 314 A CB 1.126 20.089 19.000 -0.061 0.000 1.175 314 A HN 0.691 nan 8.150 nan 0.000 0.512 315 V N 2.701 122.603 119.914 -0.021 0.000 2.435 315 V HA 0.247 4.370 4.120 0.005 0.000 0.290 315 V C -0.259 175.866 176.094 0.051 0.000 1.030 315 V CA -0.592 61.717 62.300 0.015 0.000 0.881 315 V CB 1.724 33.530 31.823 -0.029 0.000 0.983 315 V HN 0.905 nan 8.190 nan 0.000 0.445 316 D N 4.032 124.483 120.400 0.085 0.000 2.483 316 D HA 0.185 4.828 4.640 0.005 0.000 0.220 316 D C 0.817 177.196 176.300 0.131 0.000 1.173 316 D CA 0.022 54.074 54.000 0.086 0.000 0.964 316 D CB 1.194 42.037 40.800 0.071 0.000 1.046 316 D HN 0.229 nan 8.370 nan 0.000 0.517 317 V N 3.627 123.622 119.914 0.134 0.000 2.379 317 V HA -0.183 3.940 4.120 0.005 0.000 0.245 317 V C 2.386 178.549 176.094 0.115 0.000 1.044 317 V CA 1.349 63.760 62.300 0.185 0.000 1.036 317 V CB -0.389 31.529 31.823 0.158 0.000 0.664 317 V HN 0.371 nan 8.190 nan 0.000 0.453 318 K N 1.309 121.755 120.400 0.075 0.000 2.026 318 K HA -0.102 4.221 4.320 0.005 0.000 0.208 318 K C 2.002 178.623 176.600 0.035 0.000 1.048 318 K CA 1.790 58.107 56.287 0.050 0.000 0.929 318 K CB -1.020 31.505 32.500 0.041 0.000 0.713 318 K HN 0.407 nan 8.250 nan 0.000 0.439 319 G N -1.079 107.744 108.800 0.038 0.000 2.534 319 G HA2 -0.123 3.840 3.960 0.005 0.000 0.217 319 G HA3 -0.123 3.840 3.960 0.005 0.000 0.217 319 G C 1.313 176.213 174.900 -0.000 0.000 1.128 319 G CA 0.825 45.938 45.100 0.022 0.000 0.784 319 G HN 0.332 nan 8.290 nan 0.000 0.542 320 S N 0.087 115.786 115.700 -0.002 0.000 2.398 320 S HA 0.090 4.563 4.470 0.005 0.000 0.220 320 S C 1.955 176.465 174.600 -0.151 0.000 1.046 320 S CA 0.978 59.123 58.200 -0.092 0.000 0.953 320 S CB -0.010 63.124 63.200 -0.109 0.000 0.856 320 S HN 0.583 nan 8.310 nan 0.000 0.506 321 I N -3.196 117.317 120.570 -0.094 0.000 4.439 321 I HA 0.575 4.748 4.170 0.005 0.000 0.331 321 I C 1.065 177.170 176.117 -0.019 0.000 1.345 321 I CA 0.204 61.453 61.300 -0.086 0.000 1.193 321 I CB 0.585 38.524 38.000 -0.101 0.000 1.221 321 I HN 0.358 nan 8.210 nan 0.000 0.429 322 G N 2.371 111.175 108.800 0.006 0.000 2.141 322 G HA2 -0.185 3.778 3.960 0.005 0.000 0.231 322 G HA3 -0.185 3.778 3.960 0.005 0.000 0.231 322 G C -0.033 174.885 174.900 0.029 0.000 0.984 322 G CA 0.067 45.176 45.100 0.015 0.000 0.660 322 G HN 0.331 nan 8.290 nan 0.000 0.525 323 L N 1.764 123.015 121.223 0.046 0.000 2.375 323 L HA 0.541 4.884 4.340 0.005 0.000 0.271 323 L C 1.584 178.487 176.870 0.055 0.000 1.107 323 L CA -0.148 54.725 54.840 0.054 0.000 0.806 323 L CB 1.181 43.283 42.059 0.072 0.000 1.146 323 L HN 0.398 nan 8.230 nan 0.000 0.447 324 T N -1.070 113.512 114.554 0.048 0.000 2.828 324 T HA 0.147 4.500 4.350 0.005 0.000 0.290 324 T C 1.329 176.058 174.700 0.048 0.000 1.019 324 T CA -0.151 61.976 62.100 0.045 0.000 1.031 324 T CB 1.428 70.320 68.868 0.041 0.000 1.001 324 T HN 0.721 nan 8.240 nan 0.000 0.531 325 G N 0.240 109.065 108.800 0.041 0.000 2.450 325 G HA2 -0.213 3.750 3.960 0.005 0.000 0.220 325 G HA3 -0.213 3.750 3.960 0.005 0.000 0.220 325 G C 1.399 176.322 174.900 0.038 0.000 1.130 325 G CA 0.972 46.093 45.100 0.036 0.000 0.760 325 G HN 0.870 nan 8.290 nan 0.000 0.557 326 K N 0.438 120.865 120.400 0.045 0.000 2.025 326 K HA -0.065 4.258 4.320 0.005 0.000 0.207 326 K C 2.376 179.003 176.600 0.046 0.000 1.049 326 K CA 1.460 57.778 56.287 0.051 0.000 0.933 326 K CB -0.172 32.365 32.500 0.062 0.000 0.714 326 K HN 0.383 nan 8.250 nan 0.000 0.438 327 E N 0.052 120.279 120.200 0.045 0.000 2.077 327 E HA -0.201 4.152 4.350 0.005 0.000 0.193 327 E C 1.985 178.612 176.600 0.044 0.000 0.989 327 E CA 1.160 57.585 56.400 0.043 0.000 0.800 327 E CB -0.144 29.582 29.700 0.043 0.000 0.746 327 E HN 0.451 nan 8.360 nan 0.000 0.452 328 A N 1.471 124.320 122.820 0.048 0.000 1.877 328 A HA -0.274 4.049 4.320 0.005 0.000 0.216 328 A C 2.110 179.714 177.584 0.034 0.000 1.186 328 A CA 1.711 53.777 52.037 0.048 0.000 0.620 328 A CB -0.551 18.481 19.000 0.053 0.000 0.822 328 A HN 0.290 nan 8.150 nan 0.000 0.443 329 E N -0.150 120.070 120.200 0.032 0.000 2.085 329 E HA -0.259 4.094 4.350 0.005 0.000 0.194 329 E C 1.898 178.516 176.600 0.030 0.000 0.994 329 E CA 1.607 58.024 56.400 0.028 0.000 0.801 329 E CB -0.142 29.578 29.700 0.032 0.000 0.743 329 E HN 0.767 nan 8.360 nan 0.000 0.453 330 E N -0.485 119.735 120.200 0.033 0.000 2.046 330 E HA -0.116 4.237 4.350 0.005 0.000 0.190 330 E C 2.178 178.795 176.600 0.029 0.000 0.982 330 E CA 1.546 57.965 56.400 0.031 0.000 0.800 330 E CB -0.033 29.686 29.700 0.032 0.000 0.756 330 E HN 0.209 nan 8.360 nan 0.000 0.449 331 T N 1.621 116.194 114.554 0.032 0.000 2.684 331 T HA -0.146 4.207 4.350 0.005 0.000 0.267 331 T C 1.931 176.649 174.700 0.029 0.000 1.036 331 T CA 0.966 63.086 62.100 0.032 0.000 1.148 331 T CB -0.221 68.671 68.868 0.039 0.000 0.863 331 T HN 0.072 nan 8.240 nan 0.000 0.436 332 L N 0.686 121.924 121.223 0.027 0.000 2.093 332 L HA -0.095 4.248 4.340 0.005 0.000 0.208 332 L C 2.526 179.410 176.870 0.023 0.000 1.085 332 L CA 1.331 56.184 54.840 0.022 0.000 0.755 332 L CB -0.541 41.526 42.059 0.014 0.000 0.904 332 L HN 0.251 nan 8.230 nan 0.000 0.435 333 D N -0.038 120.377 120.400 0.025 0.000 2.117 333 D HA -0.205 4.438 4.640 0.005 0.000 0.197 333 D C 2.289 178.604 176.300 0.024 0.000 0.987 333 D CA 1.453 55.468 54.000 0.025 0.000 0.829 333 D CB 0.102 40.917 40.800 0.026 0.000 0.961 333 D HN 0.270 nan 8.370 nan 0.000 0.460 334 S N -0.591 115.123 115.700 0.023 0.000 2.442 334 S HA -0.140 4.333 4.470 0.005 0.000 0.236 334 S C 1.946 176.558 174.600 0.020 0.000 1.007 334 S CA 1.228 59.441 58.200 0.021 0.000 0.965 334 S CB -0.494 62.718 63.200 0.021 0.000 0.773 334 S HN 0.281 nan 8.310 nan 0.000 0.504 335 V N -3.002 116.925 119.914 0.022 0.000 3.621 335 V HA 0.697 4.820 4.120 0.005 0.000 0.285 335 V C 1.399 177.506 176.094 0.023 0.000 1.346 335 V CA 0.206 62.519 62.300 0.021 0.000 1.104 335 V CB -0.697 31.139 31.823 0.023 0.000 0.913 335 V HN 0.802 nan 8.190 nan 0.000 0.432 336 G N 0.764 109.578 108.800 0.024 0.000 2.148 336 G HA2 -0.161 3.802 3.960 0.005 0.000 0.203 336 G HA3 -0.161 3.802 3.960 0.005 0.000 0.203 336 G C -0.237 174.683 174.900 0.033 0.000 0.993 336 G CA 0.046 45.163 45.100 0.027 0.000 0.661 336 G HN 0.551 nan 8.290 nan 0.000 0.518 337 I N 2.101 122.689 120.570 0.030 0.000 2.339 337 I HA 0.384 4.557 4.170 0.005 0.000 0.290 337 I C 0.060 176.193 176.117 0.028 0.000 0.994 337 I CA -0.557 60.761 61.300 0.031 0.000 1.191 337 I CB 1.839 39.855 38.000 0.028 0.000 1.343 337 I HN 0.009 nan 8.210 nan 0.000 0.458 338 T N 5.678 120.250 114.554 0.030 0.000 2.749 338 T HA 0.487 4.840 4.350 0.005 0.000 0.287 338 T C -0.247 174.467 174.700 0.023 0.000 0.970 338 T CA -0.495 61.622 62.100 0.028 0.000 0.980 338 T CB 0.678 69.565 68.868 0.032 0.000 0.924 338 T HN 0.801 nan 8.240 nan 0.000 0.456 339 C N 2.484 121.796 119.300 0.020 0.000 3.340 339 C HA 0.755 5.218 4.460 0.005 0.000 0.333 339 C C -1.147 173.853 174.990 0.016 0.000 1.464 339 C CA -1.324 57.702 59.018 0.014 0.000 1.337 339 C CB 0.703 28.447 27.740 0.006 0.000 1.740 339 C HN 0.829 nan 8.230 nan 0.000 0.450 340 N N 0.471 119.177 118.700 0.011 0.000 2.314 340 N HA 0.523 5.266 4.740 0.005 0.000 0.304 340 N C -1.058 174.455 175.510 0.006 0.000 1.073 340 N CA -0.781 52.277 53.050 0.014 0.000 0.822 340 N CB 1.407 39.901 38.487 0.012 0.000 1.280 340 N HN 0.819 nan 8.380 nan 0.000 0.489 341 K N 1.017 121.425 120.400 0.014 0.000 2.336 341 K HA 0.182 4.505 4.320 0.005 0.000 0.262 341 K C -0.555 176.035 176.600 -0.017 0.000 0.992 341 K CA -0.366 55.925 56.287 0.006 0.000 0.927 341 K CB 0.344 32.857 32.500 0.021 0.000 0.956 341 K HN 0.682 nan 8.250 nan 0.000 0.495 342 N N 0.223 118.907 118.700 -0.027 0.000 2.598 342 N HA 0.059 4.802 4.740 0.005 0.000 0.263 342 N C -1.558 173.921 175.510 -0.052 0.000 1.254 342 N CA -0.761 52.258 53.050 -0.051 0.000 0.863 342 N CB 1.649 40.103 38.487 -0.054 0.000 1.586 342 N HN 0.543 nan 8.380 nan 0.000 0.491 343 T N 2.134 116.642 114.554 -0.077 0.000 2.752 343 T HA 0.272 4.625 4.350 0.005 0.000 0.295 343 T C 0.986 175.653 174.700 -0.056 0.000 0.923 343 T CA -0.529 61.528 62.100 -0.072 0.000 1.112 343 T CB -0.467 68.340 68.868 -0.102 0.000 0.884 343 T HN 0.491 nan 8.240 nan 0.000 0.525 344 I N 2.111 122.665 120.570 -0.026 0.000 3.211 344 I HA 0.502 4.675 4.170 0.005 0.000 0.297 344 I C -2.593 173.516 176.117 -0.013 0.000 1.095 344 I CA -2.864 58.433 61.300 -0.005 0.000 1.239 344 I CB 0.117 38.133 38.000 0.026 0.000 1.455 344 I HN 0.265 nan 8.210 nan 0.000 0.630 345 P HA 0.189 nan 4.420 nan 0.000 0.271 345 P C -0.899 176.482 177.300 0.135 0.000 1.220 345 P CA 0.239 63.336 63.100 -0.004 0.000 0.768 345 P CB -0.072 31.711 31.700 0.137 0.000 0.848 346 F N -0.271 119.684 119.950 0.009 0.000 3.090 346 F HA -0.233 4.296 4.527 0.005 0.000 0.282 346 F C 0.828 176.631 175.800 0.006 0.000 0.923 346 F CA 0.489 58.494 58.000 0.009 0.000 0.977 346 F CB -2.039 36.967 39.000 0.010 0.000 0.954 346 F HN 0.342 nan 8.300 nan 0.000 0.695 347 D N 1.425 121.865 120.400 0.068 0.000 2.487 347 D HA 0.017 4.660 4.640 0.005 0.000 0.243 347 D C 1.138 177.470 176.300 0.052 0.000 1.154 347 D CA 0.443 54.472 54.000 0.049 0.000 0.876 347 D CB 0.770 41.572 40.800 0.002 0.000 1.161 347 D HN 0.552 nan 8.370 nan 0.000 0.478 348 Q N 1.721 121.554 119.800 0.055 0.000 2.451 348 Q HA 0.007 4.350 4.340 0.005 0.000 0.206 348 Q C 0.072 176.090 176.000 0.030 0.000 0.947 348 Q CA 0.279 56.109 55.803 0.046 0.000 0.937 348 Q CB 0.541 29.306 28.738 0.044 0.000 1.025 348 Q HN 0.460 nan 8.270 nan 0.000 0.511 349 E N 0.979 121.193 120.200 0.024 0.000 2.318 349 E HA 0.157 4.510 4.350 0.005 0.000 0.265 349 E C -0.343 176.264 176.600 0.012 0.000 1.069 349 E CA -0.380 56.033 56.400 0.021 0.000 0.893 349 E CB 0.776 30.488 29.700 0.021 0.000 1.076 349 E HN -0.123 nan 8.360 nan 0.000 0.414 350 K N 1.737 122.150 120.400 0.021 0.000 2.336 350 K HA 0.050 4.373 4.320 0.005 0.000 0.262 350 K C -1.613 174.982 176.600 -0.009 0.000 0.992 350 K CA -1.161 55.139 56.287 0.022 0.000 0.927 350 K CB -0.250 32.283 32.500 0.055 0.000 0.956 350 K HN 0.144 nan 8.250 nan 0.000 0.495 351 P HA -0.106 nan 4.420 nan 0.000 0.219 351 P C 0.061 177.124 177.300 -0.396 0.000 1.146 351 P CA 1.259 64.224 63.100 -0.224 0.000 0.808 351 P CB 0.157 31.692 31.700 -0.276 0.000 0.779 352 F N -2.413 117.541 119.950 0.007 0.000 2.641 352 F HA 0.103 4.634 4.527 0.005 0.000 0.302 352 F C 1.678 177.483 175.800 0.009 0.000 1.098 352 F CA 0.123 58.126 58.000 0.007 0.000 1.318 352 F CB -0.025 38.977 39.000 0.004 0.000 1.035 352 F HN -0.275 nan 8.300 nan 0.000 0.551 353 V N -1.746 118.228 119.914 0.100 0.000 2.870 353 V HA 0.134 4.257 4.120 0.005 0.000 0.232 353 V C 0.807 176.922 176.094 0.035 0.000 1.161 353 V CA 0.886 63.229 62.300 0.072 0.000 1.204 353 V CB -0.214 31.648 31.823 0.063 0.000 1.003 353 V HN 0.390 nan 8.190 nan 0.000 0.499 354 T N -1.011 113.548 114.554 0.009 0.000 0.541 354 T HA -0.254 4.099 4.350 0.005 0.000 0.774 354 T C 0.396 175.104 174.700 0.013 0.000 0.992 354 T CA 0.518 62.614 62.100 -0.007 0.000 4.077 354 T CB -1.430 67.422 68.868 -0.027 0.000 2.303 354 T HN 0.271 nan 8.240 nan 0.000 0.398 355 S N 0.830 116.538 115.700 0.014 0.000 2.524 355 S HA 0.494 4.967 4.470 0.005 0.000 0.215 355 S C 1.007 175.627 174.600 0.034 0.000 0.986 355 S CA 0.193 58.410 58.200 0.029 0.000 0.911 355 S CB 0.339 63.558 63.200 0.033 0.000 0.805 355 S HN 1.169 nan 8.310 nan 0.000 0.501 356 G N 1.312 110.124 108.800 0.020 0.000 2.714 356 G HA2 0.755 4.718 3.960 0.005 0.000 0.292 356 G HA3 0.755 4.718 3.960 0.005 0.000 0.292 356 G C -1.028 173.877 174.900 0.008 0.000 1.308 356 G CA -0.921 44.190 45.100 0.018 0.000 0.964 356 G HN 0.317 nan 8.290 nan 0.000 0.484 357 I N -2.376 118.194 120.570 -0.000 0.000 2.730 357 I HA 0.806 4.979 4.170 0.005 0.000 0.298 357 I C -0.781 175.318 176.117 -0.030 0.000 1.089 357 I CA -1.329 59.963 61.300 -0.013 0.000 1.041 357 I CB 2.689 40.681 38.000 -0.013 0.000 1.235 357 I HN 0.505 nan 8.210 nan 0.000 0.423 358 R N 5.241 125.720 120.500 -0.034 0.000 2.494 358 R HA 0.779 5.122 4.340 0.005 0.000 0.305 358 R C -1.854 174.418 176.300 -0.046 0.000 0.959 358 R CA -0.604 55.465 56.100 -0.053 0.000 0.864 358 R CB 1.598 31.860 30.300 -0.063 0.000 1.159 358 R HN 0.810 nan 8.270 nan 0.000 0.446 359 L N 2.939 124.127 121.223 -0.059 0.000 2.346 359 L HA 0.742 5.085 4.340 0.005 0.000 0.274 359 L C 0.188 177.020 176.870 -0.063 0.000 1.007 359 L CA -1.091 53.726 54.840 -0.037 0.000 0.818 359 L CB 2.306 44.348 42.059 -0.027 0.000 1.284 359 L HN 0.825 nan 8.230 nan 0.000 0.424 360 G N -0.946 107.840 108.800 -0.024 0.000 2.620 360 G HA2 0.466 4.429 3.960 0.005 0.000 0.301 360 G HA3 0.466 4.429 3.960 0.005 0.000 0.301 360 G C 0.233 175.138 174.900 0.009 0.000 1.347 360 G CA -0.064 45.021 45.100 -0.024 0.000 0.971 360 G HN 0.630 nan 8.290 nan 0.000 0.488 361 T N -1.252 113.277 114.554 -0.043 0.000 3.060 361 T HA 0.203 4.556 4.350 0.005 0.000 0.249 361 T C -0.784 173.920 174.700 0.006 0.000 1.079 361 T CA 0.033 62.074 62.100 -0.099 0.000 1.013 361 T CB 0.123 68.728 68.868 -0.439 0.000 0.975 361 T HN 0.223 nan 8.240 nan 0.000 0.518 362 P HA 0.054 nan 4.420 nan 0.000 0.215 362 P C 1.806 179.191 177.300 0.142 0.000 1.153 362 P CA 1.496 64.642 63.100 0.077 0.000 0.853 362 P CB -0.252 31.483 31.700 0.058 0.000 0.788 363 A N -0.086 122.752 122.820 0.030 0.000 1.872 363 A HA -0.002 4.322 4.320 0.005 0.000 0.214 363 A C 2.332 179.988 177.584 0.120 0.000 1.187 363 A CA 1.873 53.879 52.037 -0.052 0.000 0.614 363 A CB -1.603 17.176 19.000 -0.369 0.000 0.826 363 A HN 0.162 nan 8.150 nan 0.000 0.442 364 A N -0.786 122.017 122.820 -0.028 0.000 1.933 364 A HA -0.087 4.236 4.320 0.005 0.000 0.218 364 A C 2.277 179.763 177.584 -0.162 0.000 1.175 364 A CA 2.326 54.119 52.037 -0.405 0.000 0.628 364 A CB -1.291 17.225 19.000 -0.807 0.000 0.814 364 A HN 0.439 nan 8.150 nan 0.000 0.444 365 T N -0.190 114.446 114.554 0.136 0.000 2.746 365 T HA -0.132 4.221 4.350 0.005 0.000 0.267 365 T C 1.988 176.856 174.700 0.279 0.000 1.039 365 T CA 1.926 64.168 62.100 0.236 0.000 1.142 365 T CB -0.642 68.331 68.868 0.175 0.000 0.866 365 T HN 0.542 nan 8.240 nan 0.000 0.444 366 T N 2.397 117.138 114.554 0.312 0.000 2.737 366 T HA -0.157 4.196 4.350 0.005 0.000 0.269 366 T C 1.910 176.647 174.700 0.062 0.000 1.040 366 T CA 1.352 63.526 62.100 0.123 0.000 1.142 366 T CB -0.251 68.673 68.868 0.094 0.000 0.861 366 T HN 0.598 nan 8.240 nan 0.000 0.456 367 R N 0.874 121.409 120.500 0.058 0.000 2.313 367 R HA 0.314 4.657 4.340 0.005 0.000 0.199 367 R C 1.496 177.838 176.300 0.070 0.000 0.958 367 R CA 0.777 56.874 56.100 -0.005 0.000 1.047 367 R CB 0.030 30.279 30.300 -0.085 0.000 0.955 367 R HN 0.388 nan 8.270 nan 0.000 0.481 368 G N 0.160 108.973 108.800 0.022 0.000 2.192 368 G HA2 -0.195 3.768 3.960 0.005 0.000 0.193 368 G HA3 -0.195 3.768 3.960 0.005 0.000 0.193 368 G C -0.263 174.402 174.900 -0.392 0.000 0.999 368 G CA -0.568 44.492 45.100 -0.067 0.000 0.659 368 G HN 0.155 nan 8.290 nan 0.000 0.503 369 F N 2.872 122.426 119.950 -0.660 0.000 2.563 369 F HA 0.454 4.983 4.527 0.004 0.000 0.363 369 F C 1.131 176.854 175.800 -0.129 0.000 1.123 369 F CA -0.274 57.372 58.000 -0.590 0.000 1.307 369 F CB 0.676 39.475 39.000 -0.336 0.000 1.115 369 F HN 0.384 nan 8.300 nan 0.000 0.592 370 D N 0.739 121.190 120.400 0.085 0.000 2.666 370 D HA 0.269 4.912 4.640 0.005 0.000 0.252 370 D C 0.631 177.060 176.300 0.216 0.000 1.143 370 D CA -0.498 53.594 54.000 0.153 0.000 1.096 370 D CB 0.157 41.020 40.800 0.104 0.000 1.260 370 D HN 0.338 nan 8.370 nan 0.000 0.633 371 E N -0.374 119.916 120.200 0.150 0.000 2.058 371 E HA -0.197 4.156 4.350 0.005 0.000 0.194 371 E C 1.772 178.450 176.600 0.130 0.000 0.997 371 E CA 1.644 58.130 56.400 0.143 0.000 0.801 371 E CB -0.141 29.608 29.700 0.082 0.000 0.746 371 E HN 0.529 nan 8.360 nan 0.000 0.450 372 K N 0.600 121.050 120.400 0.084 0.000 2.063 372 K HA -0.154 4.169 4.320 0.005 0.000 0.208 372 K C 2.127 178.737 176.600 0.015 0.000 1.048 372 K CA 1.376 57.692 56.287 0.049 0.000 0.928 372 K CB -0.195 32.326 32.500 0.036 0.000 0.713 372 K HN 0.149 nan 8.250 nan 0.000 0.442 373 A N 0.336 123.141 122.820 -0.024 0.000 1.908 373 A HA -0.133 4.190 4.320 0.005 0.000 0.218 373 A C 1.971 179.450 177.584 -0.175 0.000 1.181 373 A CA 1.400 53.307 52.037 -0.216 0.000 0.627 373 A CB -0.809 17.875 19.000 -0.527 0.000 0.818 373 A HN 0.418 nan 8.150 nan 0.000 0.445 374 F N -0.425 119.559 119.950 0.057 0.000 2.325 374 F HA -0.027 4.503 4.527 0.005 0.000 0.299 374 F C 2.312 178.141 175.800 0.049 0.000 1.090 374 F CA 1.410 59.466 58.000 0.093 0.000 1.392 374 F CB 0.005 39.059 39.000 0.091 0.000 1.053 374 F HN 0.412 nan 8.300 nan 0.000 0.521 375 E N 0.605 120.908 120.200 0.172 0.000 2.110 375 E HA -0.280 4.073 4.350 0.005 0.000 0.193 375 E C 2.052 178.688 176.600 0.059 0.000 0.988 375 E CA 1.451 57.913 56.400 0.104 0.000 0.804 375 E CB -0.054 29.689 29.700 0.072 0.000 0.745 375 E HN 0.328 nan 8.360 nan 0.000 0.458 376 E N 0.010 120.220 120.200 0.016 0.000 2.106 376 E HA -0.141 4.212 4.350 0.005 0.000 0.192 376 E C 1.936 178.530 176.600 -0.009 0.000 0.984 376 E CA 1.385 57.777 56.400 -0.013 0.000 0.806 376 E CB -0.245 29.423 29.700 -0.053 0.000 0.750 376 E HN 0.197 nan 8.360 nan 0.000 0.458 377 V N 1.067 120.968 119.914 -0.022 0.000 2.287 377 V HA -0.320 3.804 4.120 0.005 0.000 0.248 377 V C 2.436 178.555 176.094 0.041 0.000 1.053 377 V CA 1.997 64.300 62.300 0.005 0.000 1.027 377 V CB -1.115 30.689 31.823 -0.031 0.000 0.646 377 V HN 0.499 nan 8.190 nan 0.000 0.447 378 A N -0.361 122.502 122.820 0.072 0.000 1.908 378 A HA -0.267 4.056 4.320 0.005 0.000 0.218 378 A C 2.287 179.888 177.584 0.028 0.000 1.181 378 A CA 2.155 54.216 52.037 0.039 0.000 0.627 378 A CB -0.465 18.572 19.000 0.062 0.000 0.818 378 A HN 0.563 nan 8.150 nan 0.000 0.445 379 K N -0.532 119.893 120.400 0.043 0.000 2.097 379 K HA -0.012 4.311 4.320 0.005 0.000 0.205 379 K C 1.764 178.389 176.600 0.042 0.000 1.050 379 K CA 1.391 57.708 56.287 0.049 0.000 0.938 379 K CB -0.331 32.193 32.500 0.040 0.000 0.718 379 K HN 0.548 nan 8.250 nan 0.000 0.442 380 I N 0.902 121.487 120.570 0.026 0.000 2.179 380 I HA -0.289 3.884 4.170 0.005 0.000 0.242 380 I C 2.185 178.315 176.117 0.021 0.000 1.088 380 I CA 1.279 62.593 61.300 0.022 0.000 1.357 380 I CB -0.258 37.752 38.000 0.015 0.000 1.051 380 I HN 0.107 nan 8.210 nan 0.000 0.409 381 I N -0.076 120.492 120.570 -0.003 0.000 2.163 381 I HA -0.341 3.832 4.170 0.005 0.000 0.243 381 I C 2.800 178.909 176.117 -0.013 0.000 1.085 381 I CA 1.600 62.874 61.300 -0.045 0.000 1.347 381 I CB -0.376 37.544 38.000 -0.134 0.000 1.044 381 I HN 0.218 nan 8.210 nan 0.000 0.408 382 S N 0.834 116.559 115.700 0.040 0.000 2.368 382 S HA -0.196 4.277 4.470 0.005 0.000 0.225 382 S C 2.033 176.744 174.600 0.184 0.000 1.030 382 S CA 1.389 59.735 58.200 0.243 0.000 0.999 382 S CB -0.363 63.017 63.200 0.300 0.000 0.844 382 S HN 0.326 nan 8.310 nan 0.000 0.459 383 L N 1.810 123.097 121.223 0.107 0.000 2.012 383 L HA 0.048 4.391 4.340 0.005 0.000 0.210 383 L C 2.520 179.434 176.870 0.074 0.000 1.073 383 L CA 2.270 57.157 54.840 0.078 0.000 0.748 383 L CB -1.235 40.855 42.059 0.052 0.000 0.891 383 L HN 0.336 nan 8.230 nan 0.000 0.431 384 A N -0.644 122.215 122.820 0.065 0.000 1.873 384 A HA -0.136 4.187 4.320 0.005 0.000 0.215 384 A C 2.246 179.876 177.584 0.077 0.000 1.186 384 A CA 1.946 54.018 52.037 0.057 0.000 0.616 384 A CB -0.904 18.121 19.000 0.042 0.000 0.823 384 A HN 0.497 nan 8.150 nan 0.000 0.442 385 L N -1.034 120.256 121.223 0.112 0.000 2.156 385 L HA -0.108 4.235 4.340 0.005 0.000 0.208 385 L C 2.284 179.244 176.870 0.150 0.000 1.095 385 L CA 1.298 56.228 54.840 0.150 0.000 0.770 385 L CB -0.369 41.829 42.059 0.231 0.000 0.914 385 L HN 0.351 nan 8.230 nan 0.000 0.439 386 K N -0.051 120.440 120.400 0.152 0.000 2.418 386 K HA 0.035 4.358 4.320 0.005 0.000 0.195 386 K C 0.272 176.905 176.600 0.055 0.000 1.035 386 K CA 0.420 56.759 56.287 0.088 0.000 1.003 386 K CB 0.181 32.724 32.500 0.072 0.000 0.793 386 K HN 0.304 nan 8.250 nan 0.000 0.494 387 N N 0.399 119.134 118.700 0.058 0.000 2.622 387 N HA 0.005 4.748 4.740 0.005 0.000 0.304 387 N C 0.181 175.715 175.510 0.039 0.000 1.844 387 N CA 0.075 53.150 53.050 0.041 0.000 0.886 387 N CB 1.444 39.953 38.487 0.038 0.000 1.366 387 N HN 0.028 nan 8.380 nan 0.000 0.491 388 S N -0.172 115.554 115.700 0.042 0.000 2.507 388 S HA 0.005 4.478 4.470 0.005 0.000 0.235 388 S C 1.189 175.807 174.600 0.030 0.000 0.988 388 S CA 0.803 59.027 58.200 0.040 0.000 0.944 388 S CB 0.041 63.267 63.200 0.044 0.000 0.762 388 S HN 0.198 nan 8.310 nan 0.000 0.526 389 K N 0.923 121.338 120.400 0.026 0.000 2.478 389 K HA 0.236 4.559 4.320 0.005 0.000 0.205 389 K C -0.655 175.956 176.600 0.019 0.000 1.033 389 K CA -0.062 56.238 56.287 0.021 0.000 1.091 389 K CB 0.494 33.005 32.500 0.019 0.000 0.844 389 K HN 0.205 nan 8.250 nan 0.000 0.507 390 D N 1.175 121.587 120.400 0.021 0.000 2.461 390 D HA 0.020 4.663 4.640 0.005 0.000 0.240 390 D C 0.583 176.894 176.300 0.018 0.000 1.094 390 D CA -0.026 53.985 54.000 0.018 0.000 0.868 390 D CB 1.539 42.351 40.800 0.019 0.000 1.062 390 D HN -0.052 nan 8.370 nan 0.000 0.530 391 E N 2.999 123.208 120.200 0.015 0.000 2.077 391 E HA -0.221 4.132 4.350 0.005 0.000 0.193 391 E C 1.472 178.080 176.600 0.013 0.000 0.989 391 E CA 1.520 57.928 56.400 0.014 0.000 0.800 391 E CB 0.124 29.831 29.700 0.012 0.000 0.746 391 E HN 0.670 nan 8.360 nan 0.000 0.452 392 E N 0.154 120.361 120.200 0.012 0.000 2.051 392 E HA -0.215 4.138 4.350 0.005 0.000 0.192 392 E C 1.809 178.417 176.600 0.013 0.000 0.991 392 E CA 1.486 57.892 56.400 0.011 0.000 0.799 392 E CB 0.008 29.714 29.700 0.010 0.000 0.748 392 E HN 0.159 nan 8.360 nan 0.000 0.449 393 K N 0.073 120.483 120.400 0.016 0.000 2.148 393 K HA -0.092 4.231 4.320 0.005 0.000 0.204 393 K C 2.247 178.859 176.600 0.021 0.000 1.050 393 K CA 1.046 57.345 56.287 0.020 0.000 0.942 393 K CB -0.075 32.439 32.500 0.024 0.000 0.724 393 K HN 0.226 nan 8.250 nan 0.000 0.446 394 L N 1.006 122.242 121.223 0.021 0.000 2.056 394 L HA -0.200 4.143 4.340 0.005 0.000 0.207 394 L C 2.579 179.459 176.870 0.017 0.000 1.078 394 L CA 1.006 55.859 54.840 0.021 0.000 0.749 394 L CB -0.390 41.682 42.059 0.021 0.000 0.901 394 L HN 0.200 nan 8.230 nan 0.000 0.433 395 Q N -0.039 119.770 119.800 0.014 0.000 2.124 395 Q HA -0.224 4.119 4.340 0.005 0.000 0.202 395 Q C 2.175 178.181 176.000 0.010 0.000 0.977 395 Q CA 1.484 57.294 55.803 0.011 0.000 0.850 395 Q CB -0.242 28.502 28.738 0.009 0.000 0.901 395 Q HN 0.607 nan 8.270 nan 0.000 0.429 396 Q N 0.114 119.921 119.800 0.011 0.000 2.061 396 Q HA -0.141 4.202 4.340 0.005 0.000 0.204 396 Q C 2.117 178.123 176.000 0.011 0.000 0.984 396 Q CA 1.560 57.369 55.803 0.010 0.000 0.846 396 Q CB -0.264 28.481 28.738 0.011 0.000 0.902 396 Q HN 0.395 nan 8.270 nan 0.000 0.421 397 A N 1.464 124.293 122.820 0.015 0.000 1.873 397 A HA -0.296 4.028 4.320 0.005 0.000 0.218 397 A C 2.008 179.600 177.584 0.015 0.000 1.193 397 A CA 1.929 53.976 52.037 0.017 0.000 0.629 397 A CB -0.574 18.440 19.000 0.023 0.000 0.826 397 A HN 0.243 nan 8.150 nan 0.000 0.447 398 K N -0.421 119.988 120.400 0.014 0.000 2.032 398 K HA -0.213 4.110 4.320 0.005 0.000 0.209 398 K C 1.990 178.595 176.600 0.009 0.000 1.048 398 K CA 1.850 58.145 56.287 0.013 0.000 0.927 398 K CB -0.189 32.318 32.500 0.012 0.000 0.712 398 K HN 0.672 nan 8.250 nan 0.000 0.441 399 E N -0.219 119.984 120.200 0.005 0.000 2.110 399 E HA -0.185 4.168 4.350 0.005 0.000 0.193 399 E C 2.142 178.740 176.600 -0.004 0.000 0.988 399 E CA 1.140 57.540 56.400 -0.001 0.000 0.804 399 E CB 0.027 29.726 29.700 -0.002 0.000 0.745 399 E HN 0.242 nan 8.360 nan 0.000 0.458 400 R N 0.306 120.804 120.500 -0.003 0.000 2.092 400 R HA -0.073 4.270 4.340 0.005 0.000 0.231 400 R C 2.403 178.699 176.300 -0.006 0.000 1.119 400 R CA 0.775 56.870 56.100 -0.009 0.000 0.970 400 R CB -0.215 30.081 30.300 -0.006 0.000 0.864 400 R HN 0.026 nan 8.270 nan 0.000 0.440 401 V N 1.041 120.961 119.914 0.009 0.000 2.287 401 V HA -0.271 3.852 4.120 0.005 0.000 0.248 401 V C 2.403 178.512 176.094 0.025 0.000 1.053 401 V CA 2.073 64.390 62.300 0.028 0.000 1.027 401 V CB -0.734 31.110 31.823 0.035 0.000 0.646 401 V HN 0.424 nan 8.190 nan 0.000 0.447 402 A N -0.561 122.266 122.820 0.010 0.000 1.972 402 A HA -0.238 4.085 4.320 0.005 0.000 0.219 402 A C 2.291 179.868 177.584 -0.011 0.000 1.169 402 A CA 1.916 53.955 52.037 0.003 0.000 0.635 402 A CB -0.420 18.578 19.000 -0.003 0.000 0.810 402 A HN 0.562 nan 8.150 nan 0.000 0.446 403 K N -0.471 119.915 120.400 -0.023 0.000 2.026 403 K HA -0.042 4.282 4.320 0.005 0.000 0.208 403 K C 1.851 178.409 176.600 -0.071 0.000 1.048 403 K CA 1.413 57.670 56.287 -0.049 0.000 0.929 403 K CB -0.376 32.092 32.500 -0.054 0.000 0.713 403 K HN 0.467 nan 8.250 nan 0.000 0.439 404 L N 0.825 122.015 121.223 -0.055 0.000 2.046 404 L HA -0.191 4.153 4.340 0.005 0.000 0.208 404 L C 2.757 179.669 176.870 0.071 0.000 1.077 404 L CA 1.702 56.504 54.840 -0.064 0.000 0.747 404 L CB -0.969 41.033 42.059 -0.095 0.000 0.896 404 L HN 0.408 nan 8.230 nan 0.000 0.432 405 T N -2.836 111.779 114.554 0.102 0.000 2.867 405 T HA -0.088 4.265 4.350 0.005 0.000 0.268 405 T C 1.914 176.640 174.700 0.044 0.000 1.057 405 T CA 0.868 63.039 62.100 0.119 0.000 1.136 405 T CB -0.318 68.595 68.868 0.074 0.000 0.874 405 T HN 0.298 nan 8.240 nan 0.000 0.466 406 A N 1.698 124.512 122.820 -0.010 0.000 1.930 406 A HA -0.037 4.286 4.320 0.005 0.000 0.217 406 A C 2.322 179.849 177.584 -0.096 0.000 1.175 406 A CA 1.675 53.686 52.037 -0.044 0.000 0.627 406 A CB -0.772 18.198 19.000 -0.051 0.000 0.815 406 A HN 0.703 nan 8.150 nan 0.000 0.443 407 E N -1.735 118.358 120.200 -0.179 0.000 2.106 407 E HA -0.149 4.204 4.350 0.005 0.000 0.192 407 E C -0.361 175.932 176.600 -0.511 0.000 0.984 407 E CA 0.758 56.912 56.400 -0.410 0.000 0.806 407 E CB -0.056 29.275 29.700 -0.615 0.000 0.750 407 E HN 0.647 nan 8.360 nan 0.000 0.458 408 Y N 1.110 121.412 120.300 0.003 0.000 2.638 408 Y HA 0.342 4.895 4.550 0.005 0.000 0.367 408 Y C -2.327 173.597 175.900 0.041 0.000 1.001 408 Y CA -3.138 55.001 58.100 0.064 0.000 1.133 408 Y CB 0.755 39.341 38.460 0.211 0.000 1.199 408 Y HN 0.058 nan 8.280 nan 0.000 0.642 409 P HA 0.033 nan 4.420 nan 0.000 0.271 409 P C 0.058 177.361 177.300 0.005 0.000 1.218 409 P CA 0.026 63.151 63.100 0.041 0.000 0.780 409 P CB 1.417 33.140 31.700 0.038 0.000 0.901 410 L N 3.886 125.072 121.223 -0.061 0.000 2.397 410 L HA 0.156 4.499 4.340 0.005 0.000 0.271 410 L C 0.267 177.199 176.870 0.103 0.000 1.148 410 L CA 0.081 54.819 54.840 -0.171 0.000 0.825 410 L CB -0.419 41.498 42.059 -0.238 0.000 1.117 410 L HN 0.455 nan 8.230 nan 0.000 0.456 411 Y N 0.000 120.327 120.300 0.046 0.000 2.660 411 Y HA 0.000 4.553 4.550 0.006 0.000 0.201 411 Y CA 0.000 58.130 58.100 0.050 0.000 1.940 411 Y CB 0.000 38.482 38.460 0.037 0.000 1.050 411 Y HN 0.000 nan 8.280 nan 0.000 0.758