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 1amr_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VAXVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.235 176.300 -0.108 0.000 1.140 5 M CA 0.000 55.110 55.300 -0.317 0.000 0.988 5 M CB 0.000 32.239 32.600 -0.601 0.000 1.302 6 F N 0.763 120.712 119.950 -0.001 0.000 2.749 6 F HA 0.356 4.896 4.527 0.023 0.000 0.300 6 F C 1.529 177.328 175.800 -0.001 0.000 1.103 6 F CA 0.374 58.374 58.000 -0.001 0.000 1.342 6 F CB -0.833 38.167 39.000 -0.000 0.000 1.098 6 F HN 0.128 nan 8.300 nan 0.000 0.586 7 E N 0.583 120.859 120.200 0.127 0.000 2.187 7 E HA -0.240 4.123 4.350 0.022 0.000 0.199 7 E C 1.287 177.927 176.600 0.066 0.000 1.004 7 E CA 1.576 58.021 56.400 0.074 0.000 0.813 7 E CB -0.469 29.249 29.700 0.030 0.000 0.736 7 E HN 0.280 nan 8.360 nan 0.000 0.468 8 N N -0.325 118.418 118.700 0.072 0.000 2.336 8 N HA 0.126 4.879 4.740 0.022 0.000 0.189 8 N C -0.392 175.151 175.510 0.054 0.000 1.113 8 N CA 0.027 53.109 53.050 0.053 0.000 0.858 8 N CB 0.312 38.825 38.487 0.043 0.000 0.970 8 N HN 0.112 nan 8.380 nan 0.000 0.471 9 I N 0.735 121.350 120.570 0.075 0.000 2.587 9 I HA -0.031 4.153 4.170 0.022 0.000 0.284 9 I C 0.878 177.008 176.117 0.020 0.000 1.134 9 I CA 0.141 61.468 61.300 0.045 0.000 1.410 9 I CB 0.486 38.506 38.000 0.033 0.000 1.392 9 I HN -0.021 nan 8.210 nan 0.000 0.545 10 T N 5.602 120.162 114.554 0.009 0.000 2.910 10 T HA 0.499 4.862 4.350 0.022 0.000 0.293 10 T C 0.200 174.895 174.700 -0.009 0.000 1.015 10 T CA -0.670 61.430 62.100 0.001 0.000 1.094 10 T CB 0.757 69.624 68.868 -0.000 0.000 0.968 10 T HN 0.688 nan 8.240 nan 0.000 0.521 11 A N 3.224 126.038 122.820 -0.010 0.000 2.440 11 A HA 0.638 4.971 4.320 0.022 0.000 0.251 11 A C 0.708 178.280 177.584 -0.019 0.000 1.089 11 A CA -0.252 51.775 52.037 -0.017 0.000 0.779 11 A CB -0.251 18.741 19.000 -0.012 0.000 1.022 11 A HN 1.208 nan 8.150 nan 0.000 0.492 12 A N 3.883 126.688 122.820 -0.025 0.000 2.371 12 A HA 0.628 4.962 4.320 0.022 0.000 0.257 12 A C -1.509 176.060 177.584 -0.024 0.000 1.089 12 A CA -1.142 50.879 52.037 -0.028 0.000 0.794 12 A CB -0.442 18.537 19.000 -0.035 0.000 1.029 12 A HN 0.806 nan 8.150 nan 0.000 0.488 13 P HA 0.399 nan 4.420 nan 0.000 0.274 13 P C -0.124 177.162 177.300 -0.023 0.000 1.231 13 P CA -0.102 62.986 63.100 -0.021 0.000 0.790 13 P CB 0.786 32.472 31.700 -0.023 0.000 0.951 14 A N 1.678 124.490 122.820 -0.015 0.000 2.483 14 A HA 0.034 4.367 4.320 0.022 0.000 0.238 14 A C 0.344 177.916 177.584 -0.020 0.000 1.070 14 A CA -0.115 51.916 52.037 -0.011 0.000 0.770 14 A CB -0.616 18.387 19.000 0.004 0.000 1.008 14 A HN 0.673 nan 8.150 nan 0.000 0.497 15 D N 2.228 122.614 120.400 -0.023 0.000 2.458 15 D HA 0.156 4.810 4.640 0.022 0.000 0.243 15 D C -0.944 175.341 176.300 -0.025 0.000 1.146 15 D CA -0.785 53.191 54.000 -0.039 0.000 0.877 15 D CB 0.816 41.594 40.800 -0.036 0.000 1.176 15 D HN 0.278 nan 8.370 nan 0.000 0.461 16 P HA -0.148 nan 4.420 nan 0.000 0.219 16 P C 1.025 178.324 177.300 -0.002 0.000 1.146 16 P CA 1.201 64.287 63.100 -0.024 0.000 0.808 16 P CB 0.356 32.029 31.700 -0.045 0.000 0.779 17 I N -1.170 119.399 120.570 -0.002 0.000 2.962 17 I HA -0.027 4.156 4.170 0.022 0.000 0.246 17 I C 2.489 178.633 176.117 0.044 0.000 1.091 17 I CA 0.310 61.631 61.300 0.035 0.000 1.469 17 I CB -0.506 37.541 38.000 0.078 0.000 1.324 17 I HN -0.262 nan 8.210 nan 0.000 0.461 18 L N 0.999 122.245 121.223 0.038 0.000 2.353 18 L HA -0.076 4.277 4.340 0.022 0.000 0.220 18 L C 2.437 179.327 176.870 0.033 0.000 1.133 18 L CA 1.215 56.075 54.840 0.035 0.000 0.798 18 L CB -1.069 41.007 42.059 0.029 0.000 0.922 18 L HN 0.372 nan 8.230 nan 0.000 0.445 19 G N -0.081 108.739 108.800 0.033 0.000 2.448 19 G HA2 -0.173 3.800 3.960 0.022 0.000 0.218 19 G HA3 -0.173 3.800 3.960 0.022 0.000 0.218 19 G C 1.502 176.451 174.900 0.082 0.000 1.135 19 G CA 0.030 45.156 45.100 0.044 0.000 0.784 19 G HN 0.132 nan 8.290 nan 0.000 0.543 20 L N 1.362 122.646 121.223 0.102 0.000 2.131 20 L HA 0.074 4.428 4.340 0.022 0.000 0.210 20 L C 3.164 180.137 176.870 0.171 0.000 1.092 20 L CA 1.373 56.324 54.840 0.185 0.000 0.759 20 L CB -0.797 41.370 42.059 0.179 0.000 0.903 20 L HN 0.280 nan 8.230 nan 0.000 0.435 21 A N -0.741 122.129 122.820 0.085 0.000 1.940 21 A HA -0.266 4.068 4.320 0.022 0.000 0.219 21 A C 2.007 179.645 177.584 0.090 0.000 1.176 21 A CA 2.175 54.245 52.037 0.055 0.000 0.631 21 A CB -0.747 18.264 19.000 0.018 0.000 0.814 21 A HN 0.460 nan 8.150 nan 0.000 0.446 22 D N -0.187 120.264 120.400 0.085 0.000 2.084 22 D HA -0.073 4.580 4.640 0.022 0.000 0.196 22 D C 1.902 178.260 176.300 0.095 0.000 0.985 22 D CA 1.230 55.274 54.000 0.073 0.000 0.826 22 D CB -0.212 40.622 40.800 0.056 0.000 0.978 22 D HN 0.404 nan 8.370 nan 0.000 0.456 23 L N -0.220 121.094 121.223 0.151 0.000 2.042 23 L HA -0.170 4.184 4.340 0.022 0.000 0.210 23 L C 2.182 179.157 176.870 0.174 0.000 1.076 23 L CA 0.817 55.783 54.840 0.211 0.000 0.749 23 L CB -0.454 41.813 42.059 0.346 0.000 0.893 23 L HN 0.075 nan 8.230 nan 0.000 0.432 24 F N 0.472 120.371 119.950 -0.085 0.000 2.126 24 F HA -0.181 4.360 4.527 0.022 0.000 0.299 24 F C 2.356 178.010 175.800 -0.243 0.000 1.096 24 F CA 1.550 59.266 58.000 -0.474 0.000 1.255 24 F CB -0.029 38.638 39.000 -0.556 0.000 0.997 24 F HN -0.135 nan 8.300 nan 0.000 0.479 25 R N -0.434 120.057 120.500 -0.016 0.000 2.568 25 R HA 0.277 4.631 4.340 0.022 0.000 0.288 25 R C 1.063 177.327 176.300 -0.060 0.000 1.077 25 R CA 0.512 56.575 56.100 -0.061 0.000 1.102 25 R CB -0.023 30.293 30.300 0.027 0.000 1.278 25 R HN 0.301 nan 8.270 nan 0.000 0.560 26 A N 0.695 123.479 122.820 -0.060 0.000 2.108 26 A HA -0.009 4.325 4.320 0.022 0.000 0.206 26 A C 0.383 177.938 177.584 -0.048 0.000 1.212 26 A CA 0.154 52.174 52.037 -0.028 0.000 0.843 26 A CB 0.389 19.398 19.000 0.014 0.000 0.902 26 A HN 0.262 nan 8.150 nan 0.000 0.477 27 D N 0.645 120.991 120.400 -0.090 0.000 2.412 27 D HA 0.131 4.784 4.640 0.022 0.000 0.224 27 D C -0.757 175.460 176.300 -0.138 0.000 1.093 27 D CA -0.329 53.620 54.000 -0.084 0.000 0.850 27 D CB 1.016 41.798 40.800 -0.030 0.000 1.046 27 D HN 0.035 nan 8.370 nan 0.000 0.507 28 E N 3.096 123.240 120.200 -0.094 0.000 1.932 28 E HA 0.098 4.462 4.350 0.022 0.000 0.275 28 E C -0.647 175.907 176.600 -0.077 0.000 1.159 28 E CA -0.477 55.867 56.400 -0.093 0.000 0.905 28 E CB 0.233 29.896 29.700 -0.062 0.000 1.059 28 E HN 0.623 nan 8.360 nan 0.000 0.400 29 R N 5.293 125.736 120.500 -0.095 0.000 2.569 29 R HA 0.340 4.694 4.340 0.022 0.000 0.293 29 R C -2.100 174.161 176.300 -0.065 0.000 1.186 29 R CA -0.994 55.069 56.100 -0.063 0.000 0.956 29 R CB 1.100 31.371 30.300 -0.047 0.000 1.196 29 R HN 0.107 nan 8.270 nan 0.000 0.444 30 P HA -0.301 nan 4.420 nan 0.000 0.218 30 P C 0.692 177.982 177.300 -0.018 0.000 1.018 30 P CA 2.435 65.519 63.100 -0.027 0.000 1.016 30 P CB -0.154 31.540 31.700 -0.010 0.000 0.748 31 G N 0.334 109.138 108.800 0.006 0.000 3.709 31 G HA2 0.154 4.128 3.960 0.022 0.000 0.272 31 G HA3 0.154 4.128 3.960 0.022 0.000 0.272 31 G C 0.045 174.979 174.900 0.057 0.000 1.259 31 G CA -0.376 44.743 45.100 0.033 0.000 1.512 31 G HN 0.287 nan 8.290 nan 0.000 0.625 32 K N 0.209 120.617 120.400 0.013 0.000 2.295 32 K HA 0.414 4.748 4.320 0.022 0.000 0.270 32 K C -0.243 176.501 176.600 0.239 0.000 1.011 32 K CA 0.234 56.545 56.287 0.040 0.000 0.953 32 K CB 1.430 33.693 32.500 -0.395 0.000 0.956 32 K HN 0.158 nan 8.250 nan 0.000 0.477 33 I N 1.641 122.437 120.570 0.377 0.000 2.447 33 I HA 0.143 4.326 4.170 0.022 0.000 0.287 33 I C -0.511 175.802 176.117 0.326 0.000 1.023 33 I CA -0.555 60.924 61.300 0.299 0.000 1.083 33 I CB 1.790 39.890 38.000 0.167 0.000 1.245 33 I HN 0.621 nan 8.210 nan 0.000 0.434 34 N N 6.492 125.157 118.700 -0.058 0.000 2.527 34 N HA 0.301 5.054 4.740 0.022 0.000 0.236 34 N C -0.487 174.903 175.510 -0.200 0.000 0.999 34 N CA -0.457 52.326 53.050 -0.445 0.000 0.935 34 N CB 0.898 38.603 38.487 -1.304 0.000 1.132 34 N HN 0.476 nan 8.380 nan 0.000 0.511 35 L N 3.740 124.936 121.223 -0.045 0.000 3.066 35 L HA 0.367 4.721 4.340 0.022 0.000 0.265 35 L C 1.428 178.311 176.870 0.022 0.000 1.232 35 L CA 0.016 54.838 54.840 -0.030 0.000 1.031 35 L CB 0.526 42.571 42.059 -0.022 0.000 1.379 35 L HN 0.637 nan 8.230 nan 0.000 0.563 36 G N -0.435 108.372 108.800 0.011 0.000 2.632 36 G HA2 0.129 4.102 3.960 0.022 0.000 0.220 36 G HA3 0.129 4.102 3.960 0.022 0.000 0.220 36 G C 0.740 175.680 174.900 0.067 0.000 1.439 36 G CA -0.308 44.821 45.100 0.048 0.000 0.934 36 G HN 0.119 nan 8.290 nan 0.000 0.536 37 I N 2.366 122.950 120.570 0.023 0.000 2.775 37 I HA 0.125 4.308 4.170 0.022 0.000 0.290 37 I C 1.292 177.472 176.117 0.106 0.000 1.203 37 I CA 0.125 61.456 61.300 0.052 0.000 1.433 37 I CB 0.604 38.591 38.000 -0.022 0.000 1.354 37 I HN 0.207 nan 8.210 nan 0.000 0.579 38 G N 6.512 115.456 108.800 0.240 0.000 2.821 38 G HA2 0.403 4.376 3.960 0.022 0.000 0.289 38 G HA3 0.403 4.376 3.960 0.022 0.000 0.289 38 G C -0.385 174.504 174.900 -0.018 0.000 0.771 38 G CA -0.111 45.127 45.100 0.229 0.000 1.908 38 G HN 0.345 nan 8.290 nan 0.000 0.539 39 V N 2.445 122.280 119.914 -0.131 0.000 2.789 39 V HA 0.338 4.471 4.120 0.022 0.000 0.311 39 V C -0.727 175.321 176.094 -0.078 0.000 1.073 39 V CA -1.223 60.915 62.300 -0.271 0.000 0.921 39 V CB 2.009 33.549 31.823 -0.471 0.000 1.009 39 V HN 0.627 nan 8.190 nan 0.000 0.426 40 Y N 4.445 124.749 120.300 0.006 0.000 2.336 40 Y HA 0.501 5.063 4.550 0.021 0.000 0.331 40 Y C 0.143 176.054 175.900 0.019 0.000 1.211 40 Y CA 0.075 58.203 58.100 0.045 0.000 1.346 40 Y CB 0.668 39.235 38.460 0.179 0.000 1.271 40 Y HN 0.535 nan 8.280 nan 0.000 0.538 41 K N 4.511 124.375 120.400 -0.893 0.000 2.422 41 K HA 0.243 4.576 4.320 0.022 0.000 0.251 41 K C -1.353 174.675 176.600 -0.953 0.000 0.933 41 K CA -1.050 54.846 56.287 -0.652 0.000 0.798 41 K CB 1.686 33.972 32.500 -0.356 0.000 1.238 41 K HN 0.745 nan 8.250 nan 0.000 0.428 42 D N 0.583 120.718 120.400 -0.442 0.000 2.466 42 D HA 0.048 4.701 4.640 0.022 0.000 0.262 42 D C 0.755 176.973 176.300 -0.136 0.000 1.177 42 D CA -0.412 53.466 54.000 -0.204 0.000 1.035 42 D CB 0.573 41.394 40.800 0.035 0.000 1.105 42 D HN 0.311 nan 8.370 nan 0.000 0.551 43 E N -0.829 119.339 120.200 -0.053 0.000 2.284 43 E HA -0.167 4.196 4.350 0.022 0.000 0.200 43 E C 1.326 177.903 176.600 -0.039 0.000 1.008 43 E CA 1.804 58.181 56.400 -0.039 0.000 0.829 43 E CB -0.561 29.134 29.700 -0.009 0.000 0.744 43 E HN 0.738 nan 8.360 nan 0.000 0.491 44 T N -3.610 110.922 114.554 -0.037 0.000 3.145 44 T HA 0.387 4.751 4.350 0.022 0.000 0.255 44 T C 1.212 175.888 174.700 -0.040 0.000 1.039 44 T CA 0.351 62.434 62.100 -0.027 0.000 0.928 44 T CB 0.487 69.349 68.868 -0.010 0.000 1.029 44 T HN 0.172 nan 8.240 nan 0.000 0.554 45 G N 1.347 110.103 108.800 -0.073 0.000 2.246 45 G HA2 -0.242 3.732 3.960 0.022 0.000 0.273 45 G HA3 -0.242 3.732 3.960 0.022 0.000 0.273 45 G C -0.232 174.624 174.900 -0.074 0.000 1.055 45 G CA 0.151 45.199 45.100 -0.086 0.000 0.851 45 G HN 0.677 nan 8.290 nan 0.000 0.500 46 K N -0.605 119.755 120.400 -0.067 0.000 2.281 46 K HA 0.675 5.009 4.320 0.022 0.000 0.242 46 K C -0.222 176.363 176.600 -0.023 0.000 0.971 46 K CA -0.627 55.641 56.287 -0.031 0.000 0.834 46 K CB 1.598 34.100 32.500 0.003 0.000 1.181 46 K HN 0.014 nan 8.250 nan 0.000 0.435 47 T N 3.817 118.383 114.554 0.019 0.000 3.253 47 T HA 0.240 4.603 4.350 0.022 0.000 0.391 47 T C -2.223 172.562 174.700 0.140 0.000 1.527 47 T CA -1.263 60.892 62.100 0.093 0.000 1.268 47 T CB 0.264 69.166 68.868 0.056 0.000 1.126 47 T HN 0.424 nan 8.240 nan 0.000 0.620 48 P HA 0.324 nan 4.420 nan 0.000 0.276 48 P C -0.065 177.330 177.300 0.158 0.000 1.244 48 P CA -0.521 62.661 63.100 0.137 0.000 0.801 48 P CB 1.081 32.854 31.700 0.122 0.000 1.006 49 V N 3.341 123.330 119.914 0.125 0.000 2.530 49 V HA 0.179 4.312 4.120 0.022 0.000 0.282 49 V C 0.278 176.436 176.094 0.107 0.000 1.048 49 V CA -0.661 61.712 62.300 0.122 0.000 0.997 49 V CB -0.335 31.551 31.823 0.105 0.000 0.987 49 V HN 0.352 nan 8.190 nan 0.000 0.477 50 L N 5.585 126.874 121.223 0.110 0.000 2.529 50 L HA 0.048 4.402 4.340 0.022 0.000 0.287 50 L C 1.932 178.852 176.870 0.083 0.000 1.241 50 L CA 0.394 55.291 54.840 0.094 0.000 0.857 50 L CB 0.074 42.203 42.059 0.117 0.000 1.113 50 L HN 0.835 nan 8.230 nan 0.000 0.504 51 T N 0.048 114.640 114.554 0.065 0.000 2.746 51 T HA -0.159 4.205 4.350 0.022 0.000 0.267 51 T C 1.912 176.648 174.700 0.061 0.000 1.039 51 T CA 1.788 63.920 62.100 0.054 0.000 1.142 51 T CB -0.084 68.806 68.868 0.036 0.000 0.866 51 T HN 0.878 nan 8.240 nan 0.000 0.444 52 S N 1.307 117.054 115.700 0.078 0.000 2.399 52 S HA -0.086 4.397 4.470 0.022 0.000 0.231 52 S C 2.150 176.793 174.600 0.071 0.000 1.022 52 S CA 0.898 59.148 58.200 0.082 0.000 0.983 52 S CB -0.881 62.402 63.200 0.139 0.000 0.803 52 S HN 0.319 nan 8.310 nan 0.000 0.480 53 V N 1.998 121.966 119.914 0.090 0.000 2.358 53 V HA -0.084 4.050 4.120 0.022 0.000 0.246 53 V C 2.773 178.902 176.094 0.059 0.000 1.047 53 V CA 1.542 63.884 62.300 0.070 0.000 1.035 53 V CB -0.565 31.315 31.823 0.096 0.000 0.658 53 V HN 0.360 nan 8.190 nan 0.000 0.452 54 K N 0.511 120.951 120.400 0.066 0.000 2.057 54 K HA -0.137 4.196 4.320 0.022 0.000 0.207 54 K C 2.145 178.780 176.600 0.060 0.000 1.049 54 K CA 1.362 57.687 56.287 0.064 0.000 0.931 54 K CB -0.302 32.233 32.500 0.058 0.000 0.714 54 K HN 0.466 nan 8.250 nan 0.000 0.440 55 K N 0.285 120.716 120.400 0.052 0.000 2.025 55 K HA -0.060 4.273 4.320 0.022 0.000 0.207 55 K C 2.219 178.856 176.600 0.062 0.000 1.049 55 K CA 1.240 57.558 56.287 0.051 0.000 0.933 55 K CB -0.171 32.349 32.500 0.034 0.000 0.714 55 K HN 0.075 nan 8.250 nan 0.000 0.438 56 A N 1.788 124.629 122.820 0.034 0.000 1.902 56 A HA -0.212 4.121 4.320 0.022 0.000 0.217 56 A C 1.915 179.543 177.584 0.074 0.000 1.181 56 A CA 1.525 53.575 52.037 0.023 0.000 0.623 56 A CB -0.390 18.583 19.000 -0.046 0.000 0.818 56 A HN 0.302 nan 8.150 nan 0.000 0.443 57 E N -0.885 119.348 120.200 0.055 0.000 2.110 57 E HA -0.245 4.118 4.350 0.022 0.000 0.193 57 E C 2.237 178.898 176.600 0.103 0.000 0.988 57 E CA 1.277 57.727 56.400 0.083 0.000 0.804 57 E CB -0.132 29.643 29.700 0.125 0.000 0.745 57 E HN 0.824 nan 8.360 nan 0.000 0.458 58 Q N 0.123 119.981 119.800 0.097 0.000 2.046 58 Q HA -0.231 4.122 4.340 0.022 0.000 0.200 58 Q C 2.062 178.115 176.000 0.088 0.000 0.975 58 Q CA 1.450 57.301 55.803 0.080 0.000 0.836 58 Q CB -0.247 28.535 28.738 0.074 0.000 0.896 58 Q HN 0.335 nan 8.270 nan 0.000 0.428 59 Y N 0.872 121.171 120.300 -0.002 0.000 2.114 59 Y HA -0.284 4.276 4.550 0.018 0.000 0.282 59 Y C 1.729 177.622 175.900 -0.012 0.000 1.165 59 Y CA 1.943 60.036 58.100 -0.010 0.000 1.148 59 Y CB -0.232 38.216 38.460 -0.020 0.000 0.972 59 Y HN 0.140 nan 8.280 nan 0.000 0.504 60 L N -0.717 120.548 121.223 0.071 0.000 2.046 60 L HA -0.221 4.132 4.340 0.022 0.000 0.208 60 L C 2.447 179.274 176.870 -0.072 0.000 1.077 60 L CA 1.267 56.094 54.840 -0.023 0.000 0.747 60 L CB -0.785 41.297 42.059 0.037 0.000 0.896 60 L HN 0.340 nan 8.230 nan 0.000 0.432 61 L N -0.238 120.973 121.223 -0.021 0.000 2.131 61 L HA -0.187 4.167 4.340 0.022 0.000 0.210 61 L C 2.544 179.369 176.870 -0.076 0.000 1.092 61 L CA 1.722 56.546 54.840 -0.025 0.000 0.759 61 L CB -0.483 41.578 42.059 0.004 0.000 0.903 61 L HN 0.229 nan 8.230 nan 0.000 0.435 62 E N -0.337 119.785 120.200 -0.130 0.000 2.076 62 E HA -0.122 4.241 4.350 0.022 0.000 0.190 62 E C 1.672 178.149 176.600 -0.205 0.000 0.979 62 E CA 1.555 57.861 56.400 -0.156 0.000 0.807 62 E CB -0.314 29.276 29.700 -0.184 0.000 0.761 62 E HN 0.675 nan 8.360 nan 0.000 0.454 63 N N 0.345 118.847 118.700 -0.330 0.000 2.356 63 N HA 0.017 4.770 4.740 0.022 0.000 0.178 63 N C 0.598 176.003 175.510 -0.176 0.000 1.075 63 N CA 0.025 52.890 53.050 -0.308 0.000 0.889 63 N CB 0.477 38.631 38.487 -0.556 0.000 0.999 63 N HN 0.112 nan 8.380 nan 0.000 0.464 67 T N 0.523 115.057 114.554 -0.034 0.000 2.886 67 T HA 0.527 4.891 4.350 0.022 0.000 0.330 67 T C -1.528 173.145 174.700 -0.044 0.000 1.488 67 T CA -0.609 61.468 62.100 -0.037 0.000 1.054 67 T CB 1.646 70.496 68.868 -0.030 0.000 1.348 67 T HN -0.063 nan 8.240 nan 0.000 0.489 68 K N 2.477 122.839 120.400 -0.064 0.000 2.618 68 K HA 0.226 4.559 4.320 0.022 0.000 0.207 68 K C 0.527 177.046 176.600 -0.134 0.000 1.058 68 K CA -0.336 55.901 56.287 -0.083 0.000 1.086 68 K CB -0.088 32.358 32.500 -0.090 0.000 0.827 68 K HN 0.603 nan 8.250 nan 0.000 0.481 69 N N 0.780 119.418 118.700 -0.103 0.000 2.441 69 N HA -0.039 4.714 4.740 0.022 0.000 0.251 69 N C -0.514 174.951 175.510 -0.075 0.000 1.242 69 N CA -0.141 52.840 53.050 -0.115 0.000 0.898 69 N CB 0.417 38.889 38.487 -0.026 0.000 1.100 69 N HN -0.079 nan 8.380 nan 0.000 0.443 70 Y N 1.955 122.260 120.300 0.008 0.000 2.987 70 Y HA -0.153 4.413 4.550 0.026 0.000 0.339 70 Y C 1.202 177.109 175.900 0.013 0.000 1.272 70 Y CA 0.218 58.325 58.100 0.012 0.000 1.562 70 Y CB 0.306 38.774 38.460 0.014 0.000 1.253 70 Y HN 0.539 nan 8.280 nan 0.000 0.604 71 L N 2.319 123.662 121.223 0.201 0.000 2.492 71 L HA 0.232 4.586 4.340 0.022 0.000 0.223 71 L C 0.978 177.909 176.870 0.102 0.000 1.132 71 L CA 1.348 56.256 54.840 0.114 0.000 0.850 71 L CB -0.812 41.294 42.059 0.078 0.000 0.966 71 L HN 0.928 nan 8.230 nan 0.000 0.454 72 G N -1.163 107.700 108.800 0.105 0.000 3.039 72 G HA2 -0.201 3.773 3.960 0.022 0.000 0.686 72 G HA3 -0.201 3.773 3.960 0.022 0.000 0.686 72 G C 0.787 175.726 174.900 0.065 0.000 1.066 72 G CA -0.242 44.899 45.100 0.067 0.000 0.774 72 G HN 0.099 nan 8.290 nan 0.000 0.591 73 I N 0.707 121.295 120.570 0.030 0.000 2.143 73 I HA -0.267 3.916 4.170 0.022 0.000 0.245 73 I C 2.382 178.533 176.117 0.056 0.000 1.068 73 I CA 2.291 63.597 61.300 0.009 0.000 1.326 73 I CB -0.184 37.783 38.000 -0.055 0.000 1.028 73 I HN 0.747 nan 8.210 nan 0.000 0.412 74 D N 0.419 120.882 120.400 0.105 0.000 2.328 74 D HA 0.189 4.842 4.640 0.022 0.000 0.226 74 D C 1.066 177.472 176.300 0.177 0.000 1.066 74 D CA 0.784 54.897 54.000 0.188 0.000 0.861 74 D CB -0.201 40.809 40.800 0.350 0.000 0.912 74 D HN 0.453 nan 8.370 nan 0.000 0.521 75 G N 0.926 109.799 108.800 0.121 0.000 2.542 75 G HA2 -0.242 3.731 3.960 0.022 0.000 0.235 75 G HA3 -0.242 3.731 3.960 0.022 0.000 0.235 75 G C -0.429 174.518 174.900 0.079 0.000 1.286 75 G CA -0.280 44.865 45.100 0.076 0.000 0.904 75 G HN 0.313 nan 8.290 nan 0.000 0.577 76 I N 2.726 123.327 120.570 0.052 0.000 2.396 76 I HA 0.220 4.403 4.170 0.022 0.000 0.289 76 I C -1.000 175.204 176.117 0.144 0.000 1.056 76 I CA -1.615 59.730 61.300 0.075 0.000 1.365 76 I CB 1.665 39.686 38.000 0.034 0.000 1.407 76 I HN 0.290 nan 8.210 nan 0.000 0.509 77 P HA -0.203 nan 4.420 nan 0.000 0.214 77 P C 1.360 178.703 177.300 0.072 0.000 1.163 77 P CA 1.150 64.301 63.100 0.084 0.000 0.889 77 P CB 0.195 31.928 31.700 0.054 0.000 0.790 78 E N -1.521 118.715 120.200 0.060 0.000 2.118 78 E HA -0.199 4.164 4.350 0.022 0.000 0.195 78 E C 1.852 178.468 176.600 0.026 0.000 0.992 78 E CA 0.956 57.372 56.400 0.027 0.000 0.804 78 E CB -0.679 29.028 29.700 0.012 0.000 0.741 78 E HN 0.233 nan 8.360 nan 0.000 0.458 79 F N 0.907 120.817 119.950 -0.065 0.000 2.051 79 F HA -0.128 4.413 4.527 0.023 0.000 0.296 79 F C 2.247 178.025 175.800 -0.037 0.000 1.122 79 F CA 2.124 60.072 58.000 -0.086 0.000 1.201 79 F CB -0.766 38.185 39.000 -0.082 0.000 0.978 79 F HN -0.006 nan 8.300 nan 0.000 0.472 80 G N 0.321 109.161 108.800 0.066 0.000 2.442 80 G HA2 -0.303 3.671 3.960 0.022 0.000 0.219 80 G HA3 -0.303 3.671 3.960 0.022 0.000 0.219 80 G C 1.902 176.739 174.900 -0.106 0.000 1.141 80 G CA 0.823 45.906 45.100 -0.029 0.000 0.763 80 G HN 0.359 nan 8.290 nan 0.000 0.554 81 R N -0.421 120.037 120.500 -0.070 0.000 2.073 81 R HA -0.030 4.323 4.340 0.022 0.000 0.229 81 R C 2.559 178.802 176.300 -0.095 0.000 1.120 81 R CA 1.333 57.396 56.100 -0.061 0.000 0.967 81 R CB -0.568 29.712 30.300 -0.033 0.000 0.862 81 R HN 0.397 nan 8.270 nan 0.000 0.436 82 C N 0.124 119.335 119.300 -0.148 0.000 2.440 82 C HA -0.062 4.411 4.460 0.022 0.000 0.278 82 C C 2.904 177.782 174.990 -0.187 0.000 1.295 82 C CA 1.428 60.347 59.018 -0.164 0.000 1.738 82 C CB -0.931 26.688 27.740 -0.202 0.000 1.987 82 C HN 0.693 nan 8.230 nan 0.000 0.492 83 T N -0.654 113.727 114.554 -0.289 0.000 2.777 83 T HA -0.226 4.138 4.350 0.022 0.000 0.266 83 T C 1.636 176.235 174.700 -0.169 0.000 1.040 83 T CA 1.447 63.410 62.100 -0.227 0.000 1.141 83 T CB -0.497 68.157 68.868 -0.357 0.000 0.868 83 T HN 0.643 nan 8.240 nan 0.000 0.444 84 Q N 0.798 120.517 119.800 -0.135 0.000 2.124 84 Q HA -0.102 4.251 4.340 0.022 0.000 0.202 84 Q C 2.495 178.475 176.000 -0.033 0.000 0.977 84 Q CA 1.598 57.357 55.803 -0.073 0.000 0.850 84 Q CB -0.176 28.614 28.738 0.086 0.000 0.901 84 Q HN 0.706 nan 8.270 nan 0.000 0.429 85 E N 0.401 120.588 120.200 -0.021 0.000 2.150 85 E HA -0.122 4.241 4.350 0.022 0.000 0.193 85 E C 2.022 178.617 176.600 -0.010 0.000 0.985 85 E CA 0.481 56.886 56.400 0.008 0.000 0.814 85 E CB 0.061 29.759 29.700 -0.002 0.000 0.752 85 E HN 0.344 nan 8.360 nan 0.000 0.466 86 L N 0.530 121.729 121.223 -0.039 0.000 2.005 86 L HA -0.184 4.170 4.340 0.022 0.000 0.207 86 L C 2.399 179.244 176.870 -0.042 0.000 1.072 86 L CA 0.944 55.779 54.840 -0.008 0.000 0.744 86 L CB -0.245 41.830 42.059 0.027 0.000 0.895 86 L HN 0.175 nan 8.230 nan 0.000 0.433 87 L N -1.466 119.649 121.223 -0.179 0.000 1.994 87 L HA -0.211 4.142 4.340 0.022 0.000 0.208 87 L C 2.307 178.940 176.870 -0.395 0.000 1.071 87 L CA 1.427 56.048 54.840 -0.366 0.000 0.745 87 L CB -0.548 41.014 42.059 -0.828 0.000 0.892 87 L HN 0.152 nan 8.230 nan 0.000 0.431 88 F N -0.423 119.514 119.950 -0.022 0.000 2.619 88 F HA 0.389 4.930 4.527 0.023 0.000 0.293 88 F C 1.280 177.064 175.800 -0.027 0.000 1.119 88 F CA 0.138 58.113 58.000 -0.043 0.000 1.445 88 F CB -0.484 38.488 39.000 -0.047 0.000 1.119 88 F HN 0.109 nan 8.300 nan 0.000 0.573 89 G N 1.205 110.078 108.800 0.123 0.000 2.697 89 G HA2 -0.143 3.830 3.960 0.022 0.000 0.686 89 G HA3 -0.143 3.830 3.960 0.022 0.000 0.686 89 G C 0.676 175.618 174.900 0.070 0.000 1.179 89 G CA -0.237 44.910 45.100 0.078 0.000 0.765 89 G HN 0.164 nan 8.290 nan 0.000 0.649 90 K N 0.950 121.375 120.400 0.042 0.000 2.103 90 K HA -0.053 4.280 4.320 0.022 0.000 0.207 90 K C 2.135 178.751 176.600 0.027 0.000 1.048 90 K CA 2.672 58.977 56.287 0.031 0.000 0.930 90 K CB -0.882 31.629 32.500 0.018 0.000 0.716 90 K HN 1.147 nan 8.250 nan 0.000 0.444 91 G N 1.159 109.974 108.800 0.025 0.000 2.556 91 G HA2 -0.206 3.768 3.960 0.022 0.000 0.215 91 G HA3 -0.206 3.768 3.960 0.022 0.000 0.215 91 G C 0.131 175.040 174.900 0.015 0.000 1.258 91 G CA 1.030 46.139 45.100 0.016 0.000 0.811 91 G HN 0.547 nan 8.290 nan 0.000 0.557 92 S N -0.340 115.372 115.700 0.021 0.000 4.616 92 S HA -0.064 4.420 4.470 0.022 0.000 0.727 92 S C 1.473 176.056 174.600 -0.028 0.000 1.134 92 S CA 0.710 58.914 58.200 0.006 0.000 1.201 92 S CB -0.275 62.956 63.200 0.053 0.000 2.276 92 S HN 1.383 nan 8.310 nan 0.000 0.320 93 A N 5.630 128.419 122.820 -0.052 0.000 2.015 93 A HA 0.046 4.379 4.320 0.022 0.000 0.219 93 A C 2.078 179.603 177.584 -0.097 0.000 1.163 93 A CA 1.387 53.386 52.037 -0.063 0.000 0.646 93 A CB -0.337 18.627 19.000 -0.059 0.000 0.806 93 A HN 0.859 nan 8.150 nan 0.000 0.448 94 L N -0.589 120.535 121.223 -0.166 0.000 2.046 94 L HA -0.198 4.155 4.340 0.022 0.000 0.208 94 L C 2.425 179.200 176.870 -0.159 0.000 1.077 94 L CA 1.349 56.041 54.840 -0.248 0.000 0.747 94 L CB -0.452 41.263 42.059 -0.573 0.000 0.896 94 L HN 0.404 nan 8.230 nan 0.000 0.432 95 I N -0.316 120.198 120.570 -0.093 0.000 2.233 95 I HA -0.261 3.923 4.170 0.022 0.000 0.243 95 I C 1.995 178.093 176.117 -0.033 0.000 1.093 95 I CA 1.501 62.784 61.300 -0.028 0.000 1.380 95 I CB -0.401 37.614 38.000 0.024 0.000 1.067 95 I HN 0.354 nan 8.210 nan 0.000 0.413 96 N N 0.688 119.367 118.700 -0.034 0.000 2.188 96 N HA -0.166 4.587 4.740 0.022 0.000 0.184 96 N C 0.815 176.305 175.510 -0.033 0.000 1.018 96 N CA 0.982 54.015 53.050 -0.028 0.000 0.858 96 N CB -0.040 38.433 38.487 -0.024 0.000 0.989 96 N HN 0.279 nan 8.380 nan 0.000 0.426 97 D N 0.727 121.100 120.400 -0.046 0.000 2.349 97 D HA 0.034 4.687 4.640 0.022 0.000 0.224 97 D C -0.066 176.208 176.300 -0.043 0.000 1.029 97 D CA 0.374 54.348 54.000 -0.043 0.000 0.879 97 D CB 0.099 40.868 40.800 -0.051 0.000 0.906 97 D HN 0.122 nan 8.370 nan 0.000 0.528 98 K N -0.281 120.090 120.400 -0.048 0.000 3.096 98 K HA -0.244 4.089 4.320 0.022 0.000 0.266 98 K C 0.792 177.357 176.600 -0.058 0.000 1.043 98 K CA 0.205 56.462 56.287 -0.049 0.000 0.758 98 K CB -0.993 31.485 32.500 -0.036 0.000 1.260 98 K HN 0.208 nan 8.250 nan 0.000 0.481 99 R N -0.263 120.192 120.500 -0.075 0.000 2.276 99 R HA 0.158 4.512 4.340 0.022 0.000 0.196 99 R C 0.715 176.965 176.300 -0.082 0.000 0.961 99 R CA 0.702 56.757 56.100 -0.075 0.000 1.024 99 R CB 0.538 30.782 30.300 -0.094 0.000 0.940 99 R HN 0.298 nan 8.270 nan 0.000 0.480 100 A N 1.210 123.975 122.820 -0.091 0.000 2.325 100 A HA 0.645 4.978 4.320 0.022 0.000 0.333 100 A C -0.606 176.901 177.584 -0.129 0.000 1.155 100 A CA -0.682 51.317 52.037 -0.063 0.000 0.814 100 A CB 0.970 19.986 19.000 0.026 0.000 1.206 100 A HN -0.014 nan 8.150 nan 0.000 0.482 101 R N 1.042 121.415 120.500 -0.211 0.000 2.538 101 R HA 0.583 4.937 4.340 0.022 0.000 0.292 101 R C -1.293 174.759 176.300 -0.415 0.000 1.008 101 R CA -0.357 55.420 56.100 -0.539 0.000 0.896 101 R CB 1.594 31.219 30.300 -1.125 0.000 1.187 101 R HN 0.728 nan 8.270 nan 0.000 0.440 102 T N 1.160 115.543 114.554 -0.284 0.000 2.823 102 T HA 0.725 5.088 4.350 0.022 0.000 0.279 102 T C -0.539 174.291 174.700 0.216 0.000 0.998 102 T CA -0.579 61.525 62.100 0.008 0.000 0.994 102 T CB 1.915 70.799 68.868 0.026 0.000 0.960 102 T HN 0.596 nan 8.240 nan 0.000 0.448 103 A N 2.598 125.631 122.820 0.355 0.000 2.342 103 A HA 0.639 4.972 4.320 0.022 0.000 0.323 103 A C -0.246 177.525 177.584 0.311 0.000 1.125 103 A CA -0.761 51.504 52.037 0.380 0.000 0.785 103 A CB 1.138 20.331 19.000 0.323 0.000 1.221 103 A HN 0.758 nan 8.150 nan 0.000 0.463 104 Q N 1.422 121.390 119.800 0.280 0.000 2.288 104 Q HA 0.485 4.838 4.340 0.022 0.000 0.258 104 Q C -0.274 175.806 176.000 0.135 0.000 0.957 104 Q CA 0.035 55.960 55.803 0.202 0.000 0.919 104 Q CB 0.617 29.328 28.738 -0.044 0.000 1.185 104 Q HN 0.841 nan 8.270 nan 0.000 0.408 105 T N 0.751 115.364 114.554 0.100 0.000 2.901 105 T HA 0.572 4.935 4.350 0.022 0.000 0.293 105 T C -2.702 171.942 174.700 -0.092 0.000 1.084 105 T CA -2.122 60.008 62.100 0.051 0.000 1.008 105 T CB 1.767 70.711 68.868 0.128 0.000 1.170 105 T HN 0.456 nan 8.240 nan 0.000 0.509 106 P HA 0.371 nan 4.420 nan 0.000 0.256 106 P C 0.778 178.016 177.300 -0.103 0.000 1.688 106 P CA 0.731 63.695 63.100 -0.226 0.000 1.162 106 P CB -0.552 30.920 31.700 -0.380 0.000 1.870 107 G N 2.959 111.726 108.800 -0.056 0.000 2.829 107 G HA2 -0.156 3.818 3.960 0.022 0.000 0.628 107 G HA3 -0.156 3.818 3.960 0.022 0.000 0.628 107 G C 0.938 175.829 174.900 -0.015 0.000 1.412 107 G CA -0.493 44.591 45.100 -0.027 0.000 0.864 107 G HN 0.444 nan 8.290 nan 0.000 0.544 108 G N -1.292 107.483 108.800 -0.043 0.000 2.422 108 G HA2 0.063 4.036 3.960 0.022 0.000 0.218 108 G HA3 0.063 4.036 3.960 0.022 0.000 0.218 108 G C 1.855 176.772 174.900 0.027 0.000 1.140 108 G CA 2.347 47.424 45.100 -0.039 0.000 0.775 108 G HN 1.251 nan 8.290 nan 0.000 0.545 109 T N 0.986 115.571 114.554 0.052 0.000 2.746 109 T HA -0.052 4.311 4.350 0.022 0.000 0.267 109 T C 2.502 177.254 174.700 0.086 0.000 1.039 109 T CA 1.420 63.601 62.100 0.134 0.000 1.142 109 T CB -0.513 68.463 68.868 0.180 0.000 0.866 109 T HN 0.345 nan 8.240 nan 0.000 0.444 110 G N 0.955 109.789 108.800 0.056 0.000 2.422 110 G HA2 -0.013 3.960 3.960 0.022 0.000 0.218 110 G HA3 -0.013 3.960 3.960 0.022 0.000 0.218 110 G C 1.791 176.760 174.900 0.115 0.000 1.146 110 G CA 0.831 45.971 45.100 0.067 0.000 0.769 110 G HN 0.582 nan 8.290 nan 0.000 0.547 111 A N 0.370 123.251 122.820 0.102 0.000 1.930 111 A HA 0.184 4.518 4.320 0.022 0.000 0.217 111 A C 2.395 180.067 177.584 0.147 0.000 1.175 111 A CA 1.003 53.117 52.037 0.128 0.000 0.627 111 A CB -0.297 18.768 19.000 0.108 0.000 0.815 111 A HN 0.350 nan 8.150 nan 0.000 0.443 112 L N -1.118 120.184 121.223 0.131 0.000 2.056 112 L HA -0.148 4.206 4.340 0.022 0.000 0.207 112 L C 2.733 179.675 176.870 0.119 0.000 1.078 112 L CA 1.600 56.522 54.840 0.137 0.000 0.749 112 L CB -0.358 41.743 42.059 0.069 0.000 0.901 112 L HN 0.385 nan 8.230 nan 0.000 0.433 113 R N 0.700 121.250 120.500 0.083 0.000 2.070 113 R HA -0.147 4.206 4.340 0.022 0.000 0.233 113 R C 2.202 178.592 176.300 0.151 0.000 1.137 113 R CA 2.219 58.374 56.100 0.091 0.000 0.945 113 R CB -1.067 29.279 30.300 0.077 0.000 0.845 113 R HN 0.317 nan 8.270 nan 0.000 0.430 114 V N -0.903 119.110 119.914 0.164 0.000 2.469 114 V HA -0.085 4.049 4.120 0.022 0.000 0.251 114 V C 2.116 178.332 176.094 0.204 0.000 1.064 114 V CA 1.941 64.337 62.300 0.160 0.000 1.066 114 V CB -1.240 30.668 31.823 0.140 0.000 0.667 114 V HN 0.369 nan 8.190 nan 0.000 0.461 115 A N 0.503 123.461 122.820 0.230 0.000 1.929 115 A HA 0.220 4.553 4.320 0.022 0.000 0.216 115 A C 2.504 180.308 177.584 0.367 0.000 1.176 115 A CA 2.008 54.229 52.037 0.306 0.000 0.628 115 A CB -0.980 18.194 19.000 0.291 0.000 0.816 115 A HN 0.970 nan 8.150 nan 0.000 0.444 116 A N 0.173 123.193 122.820 0.333 0.000 1.873 116 A HA -0.164 4.169 4.320 0.022 0.000 0.215 116 A C 1.784 179.500 177.584 0.220 0.000 1.186 116 A CA 1.904 54.137 52.037 0.327 0.000 0.616 116 A CB -0.616 18.606 19.000 0.370 0.000 0.823 116 A HN 0.412 nan 8.150 nan 0.000 0.442 117 D N -1.146 119.370 120.400 0.193 0.000 2.144 117 D HA -0.119 4.534 4.640 0.022 0.000 0.199 117 D C 1.578 177.971 176.300 0.154 0.000 0.984 117 D CA 1.252 55.336 54.000 0.140 0.000 0.834 117 D CB -0.395 40.473 40.800 0.114 0.000 0.955 117 D HN 0.468 nan 8.370 nan 0.000 0.465 118 F N 1.276 121.263 119.950 0.061 0.000 2.051 118 F HA -0.125 4.416 4.527 0.023 0.000 0.296 118 F C 2.056 177.892 175.800 0.060 0.000 1.122 118 F CA 1.259 59.289 58.000 0.050 0.000 1.201 118 F CB -0.575 38.462 39.000 0.062 0.000 0.978 118 F HN -0.117 nan 8.300 nan 0.000 0.472 119 L N 0.195 121.348 121.223 -0.117 0.000 2.127 119 L HA -0.224 4.130 4.340 0.022 0.000 0.211 119 L C 2.762 179.534 176.870 -0.164 0.000 1.089 119 L CA 1.199 55.901 54.840 -0.229 0.000 0.757 119 L CB -1.141 40.939 42.059 0.034 0.000 0.899 119 L HN 0.356 nan 8.230 nan 0.000 0.434 120 A N -0.455 122.328 122.820 -0.061 0.000 1.929 120 A HA -0.204 4.129 4.320 0.022 0.000 0.216 120 A C 2.400 179.947 177.584 -0.061 0.000 1.176 120 A CA 1.609 53.624 52.037 -0.035 0.000 0.628 120 A CB -0.248 18.762 19.000 0.016 0.000 0.816 120 A HN 0.307 nan 8.150 nan 0.000 0.444 121 K N -0.978 119.372 120.400 -0.084 0.000 2.284 121 K HA 0.065 4.398 4.320 0.022 0.000 0.198 121 K C 0.431 176.962 176.600 -0.114 0.000 1.048 121 K CA 0.674 56.917 56.287 -0.073 0.000 0.987 121 K CB 0.097 32.575 32.500 -0.036 0.000 0.800 121 K HN 0.451 nan 8.250 nan 0.000 0.486 122 N N 0.296 118.859 118.700 -0.228 0.000 2.200 122 N HA 0.068 4.822 4.740 0.022 0.000 0.224 122 N C -0.657 174.711 175.510 -0.237 0.000 1.179 122 N CA 0.128 53.035 53.050 -0.237 0.000 0.877 122 N CB 1.664 39.961 38.487 -0.318 0.000 1.072 122 N HN -0.024 nan 8.380 nan 0.000 0.519 123 T N -0.568 113.862 114.554 -0.208 0.000 2.804 123 T HA 0.185 4.549 4.350 0.022 0.000 0.290 123 T C 0.671 175.329 174.700 -0.070 0.000 1.099 123 T CA -0.511 61.507 62.100 -0.136 0.000 1.011 123 T CB 1.789 70.556 68.868 -0.169 0.000 1.291 123 T HN 0.004 nan 8.240 nan 0.000 0.523 124 S N -0.256 115.426 115.700 -0.030 0.000 2.583 124 S HA 0.301 4.784 4.470 0.022 0.000 0.239 124 S C 0.374 174.977 174.600 0.005 0.000 0.966 124 S CA -0.486 57.709 58.200 -0.008 0.000 0.973 124 S CB -0.459 62.746 63.200 0.007 0.000 0.794 124 S HN 0.414 nan 8.310 nan 0.000 0.463 125 V N 2.959 122.870 119.914 -0.004 0.000 2.637 125 V HA 0.291 4.425 4.120 0.022 0.000 0.296 125 V C 0.343 176.436 176.094 -0.002 0.000 1.046 125 V CA 0.139 62.444 62.300 0.009 0.000 1.066 125 V CB 0.637 32.462 31.823 0.003 0.000 0.968 125 V HN 0.451 nan 8.190 nan 0.000 0.483 134 W N 3.718 124.879 121.300 -0.231 0.000 2.331 134 W HA 0.733 5.406 4.660 0.022 0.000 0.306 134 W C -0.216 176.244 176.519 -0.099 0.000 1.162 134 W CA -0.425 56.840 57.345 -0.132 0.000 1.232 134 W CB 1.662 31.028 29.460 -0.157 0.000 1.235 134 W HN 0.376 nan 8.180 nan 0.000 0.479 135 V N 3.773 123.678 119.914 -0.015 0.000 2.628 135 V HA 0.372 4.505 4.120 0.022 0.000 0.306 135 V C 0.300 176.063 176.094 -0.552 0.000 1.045 135 V CA -1.162 61.033 62.300 -0.175 0.000 0.905 135 V CB 1.728 33.504 31.823 -0.079 0.000 0.997 135 V HN 0.565 nan 8.190 nan 0.000 0.436 136 S N 3.105 118.281 115.700 -0.873 0.000 2.576 136 S HA 0.221 4.704 4.470 0.022 0.000 0.272 136 S C -0.175 174.173 174.600 -0.420 0.000 1.352 136 S CA -0.264 57.273 58.200 -1.106 0.000 1.021 136 S CB 0.460 63.165 63.200 -0.824 0.000 0.887 136 S HN 0.786 nan 8.310 nan 0.000 0.542 137 N N 2.274 120.819 118.700 -0.258 0.000 2.483 137 N HA 0.525 5.278 4.740 0.022 0.000 0.267 137 N C -2.658 172.878 175.510 0.044 0.000 0.998 137 N CA -1.921 51.094 53.050 -0.059 0.000 0.918 137 N CB 1.620 40.106 38.487 -0.002 0.000 1.215 137 N HN 0.478 nan 8.380 nan 0.000 0.500 138 P HA 0.378 nan 4.420 nan 0.000 0.284 138 P C -0.762 176.511 177.300 -0.045 0.000 1.292 138 P CA -0.420 62.673 63.100 -0.011 0.000 0.800 138 P CB 1.579 33.270 31.700 -0.014 0.000 1.188 139 S N -1.754 113.933 115.700 -0.022 0.000 2.688 139 S HA 0.395 4.879 4.470 0.022 0.000 0.275 139 S C -1.895 172.761 174.600 0.092 0.000 1.175 139 S CA -0.645 57.585 58.200 0.050 0.000 0.818 139 S CB 0.146 63.490 63.200 0.240 0.000 1.157 139 S HN 0.465 nan 8.310 nan 0.000 0.482 140 W N 3.581 124.816 121.300 -0.108 0.000 2.322 140 W HA 0.339 5.012 4.660 0.023 0.000 0.328 140 W C -2.360 174.024 176.519 -0.225 0.000 1.395 140 W CA -1.414 55.767 57.345 -0.274 0.000 1.267 140 W CB 0.114 29.257 29.460 -0.529 0.000 1.259 140 W HN 0.522 nan 8.180 nan 0.000 0.560 141 P HA -0.272 nan 4.420 nan 0.000 0.217 141 P C 1.249 178.158 177.300 -0.651 0.000 1.148 141 P CA 2.004 64.849 63.100 -0.426 0.000 0.828 141 P CB 0.240 31.744 31.700 -0.327 0.000 0.783 142 N N -1.962 115.924 118.700 -1.357 0.000 2.515 142 N HA -0.094 4.659 4.740 0.022 0.000 0.185 142 N C 1.396 176.425 175.510 -0.803 0.000 1.109 142 N CA 0.595 52.901 53.050 -1.240 0.000 0.903 142 N CB -0.585 36.812 38.487 -1.816 0.000 0.969 142 N HN 0.309 nan 8.380 nan 0.000 0.450 143 H N -0.237 118.500 119.070 -0.555 0.000 2.353 143 H HA -0.077 4.493 4.556 0.022 0.000 0.300 143 H C 1.560 176.754 175.328 -0.224 0.000 1.090 143 H CA 1.155 57.048 56.048 -0.258 0.000 1.327 143 H CB 0.386 30.177 29.762 0.048 0.000 1.383 143 H HN 0.140 nan 8.280 nan 0.000 0.508 144 K N 0.550 120.941 120.400 -0.014 0.000 2.002 144 K HA -0.080 4.254 4.320 0.022 0.000 0.209 144 K C 2.316 178.881 176.600 -0.058 0.000 1.048 144 K CA 1.259 57.548 56.287 0.004 0.000 0.930 144 K CB -0.698 31.777 32.500 -0.042 0.000 0.714 144 K HN 0.166 nan 8.250 nan 0.000 0.438 145 S N 1.505 117.115 115.700 -0.150 0.000 2.370 145 S HA -0.105 4.378 4.470 0.022 0.000 0.226 145 S C 2.344 176.855 174.600 -0.147 0.000 1.033 145 S CA 1.342 59.455 58.200 -0.145 0.000 1.011 145 S CB -0.487 62.600 63.200 -0.188 0.000 0.852 145 S HN 0.046 nan 8.310 nan 0.000 0.457 146 V N 1.198 120.961 119.914 -0.252 0.000 2.261 146 V HA -0.143 3.990 4.120 0.022 0.000 0.246 146 V C 2.014 177.991 176.094 -0.194 0.000 1.047 146 V CA 1.712 63.844 62.300 -0.280 0.000 1.015 146 V CB -0.824 30.734 31.823 -0.441 0.000 0.642 146 V HN 0.395 nan 8.190 nan 0.000 0.446 147 F N 0.707 120.660 119.950 0.005 0.000 2.216 147 F HA -0.086 4.454 4.527 0.023 0.000 0.300 147 F C 2.292 178.082 175.800 -0.018 0.000 1.085 147 F CA 1.068 59.068 58.000 -0.001 0.000 1.326 147 F CB -1.023 37.967 39.000 -0.017 0.000 1.027 147 F HN 0.211 nan 8.300 nan 0.000 0.497 148 N N -0.298 118.471 118.700 0.115 0.000 2.331 148 N HA -0.103 4.650 4.740 0.022 0.000 0.180 148 N C 1.909 177.437 175.510 0.030 0.000 1.019 148 N CA 1.041 54.121 53.050 0.050 0.000 0.881 148 N CB -0.450 38.042 38.487 0.008 0.000 0.972 148 N HN 0.113 nan 8.380 nan 0.000 0.435 149 S N 0.307 116.017 115.700 0.017 0.000 2.423 149 S HA -0.006 4.478 4.470 0.022 0.000 0.231 149 S C 1.685 176.305 174.600 0.032 0.000 1.014 149 S CA 0.936 59.141 58.200 0.010 0.000 0.965 149 S CB -0.015 63.180 63.200 -0.008 0.000 0.785 149 S HN 0.476 nan 8.310 nan 0.000 0.495 150 A N 0.094 122.952 122.820 0.063 0.000 2.307 150 A HA 0.545 4.878 4.320 0.022 0.000 0.218 150 A C 1.505 179.124 177.584 0.058 0.000 1.228 150 A CA 0.558 52.639 52.037 0.074 0.000 0.857 150 A CB -0.633 18.440 19.000 0.122 0.000 0.897 150 A HN 0.769 nan 8.150 nan 0.000 0.495 151 G N -1.325 107.503 108.800 0.045 0.000 2.148 151 G HA2 -0.188 3.786 3.960 0.022 0.000 0.254 151 G HA3 -0.188 3.786 3.960 0.022 0.000 0.254 151 G C 0.020 174.935 174.900 0.023 0.000 0.981 151 G CA 0.425 45.541 45.100 0.027 0.000 0.670 151 G HN 0.295 nan 8.290 nan 0.000 0.528 155 V N 4.187 123.997 119.914 -0.173 0.000 2.417 155 V HA 0.625 4.758 4.120 0.022 0.000 0.291 155 V C -0.208 175.675 176.094 -0.351 0.000 1.024 155 V CA -0.699 61.459 62.300 -0.237 0.000 0.861 155 V CB 1.489 33.258 31.823 -0.090 0.000 0.985 155 V HN 0.514 nan 8.190 nan 0.000 0.436 156 R N 2.973 123.113 120.500 -0.600 0.000 2.803 156 R HA 0.640 4.993 4.340 0.022 0.000 0.276 156 R C -0.696 175.293 176.300 -0.518 0.000 0.978 156 R CA -0.748 54.893 56.100 -0.764 0.000 0.939 156 R CB 2.247 31.563 30.300 -1.639 0.000 1.179 156 R HN 0.710 nan 8.270 nan 0.000 0.472 157 E N 1.561 121.610 120.200 -0.252 0.000 2.191 157 E HA 0.292 4.655 4.350 0.022 0.000 0.274 157 E C -1.010 175.732 176.600 0.237 0.000 0.948 157 E CA -0.766 55.613 56.400 -0.036 0.000 0.802 157 E CB 1.705 31.373 29.700 -0.053 0.000 1.137 157 E HN 0.430 nan 8.360 nan 0.000 0.397 158 Y N -0.132 120.291 120.300 0.205 0.000 2.377 158 Y HA 0.694 5.257 4.550 0.022 0.000 0.339 158 Y C -0.245 175.738 175.900 0.138 0.000 1.011 158 Y CA -1.597 56.618 58.100 0.191 0.000 1.093 158 Y CB 0.737 39.272 38.460 0.126 0.000 1.201 158 Y HN 0.499 nan 8.280 nan 0.000 0.455 159 A N 3.319 126.324 122.820 0.309 0.000 2.531 159 A HA 0.236 4.570 4.320 0.022 0.000 0.236 159 A C -0.622 177.163 177.584 0.335 0.000 1.062 159 A CA 0.514 52.688 52.037 0.227 0.000 0.760 159 A CB -0.260 18.823 19.000 0.139 0.000 0.995 159 A HN 1.077 nan 8.150 nan 0.000 0.501 160 Y N 1.093 121.455 120.300 0.104 0.000 3.260 160 Y HA 0.243 4.807 4.550 0.023 0.000 0.202 160 Y C -0.158 175.804 175.900 0.102 0.000 0.962 160 Y CA 0.154 58.308 58.100 0.091 0.000 1.582 160 Y CB 0.185 38.629 38.460 -0.027 0.000 1.478 160 Y HN 0.664 nan 8.280 nan 0.000 0.384 161 Y N 2.775 123.161 120.300 0.144 0.000 2.320 161 Y HA 0.380 4.944 4.550 0.023 0.000 0.334 161 Y C -0.670 175.247 175.900 0.028 0.000 1.055 161 Y CA -1.302 56.837 58.100 0.064 0.000 1.143 161 Y CB 0.755 39.305 38.460 0.150 0.000 1.193 161 Y HN 0.124 nan 8.280 nan 0.000 0.477 162 D N 5.049 125.117 120.400 -0.552 0.000 2.411 162 D HA 0.266 4.919 4.640 0.022 0.000 0.225 162 D C 0.637 176.332 176.300 -1.010 0.000 1.156 162 D CA 0.334 54.003 54.000 -0.552 0.000 0.874 162 D CB 1.261 41.838 40.800 -0.371 0.000 1.034 162 D HN 0.798 nan 8.370 nan 0.000 0.502 163 A N 4.375 126.782 122.820 -0.688 0.000 1.908 163 A HA -0.194 4.140 4.320 0.022 0.000 0.218 163 A C 1.930 179.132 177.584 -0.637 0.000 1.181 163 A CA 1.359 53.089 52.037 -0.512 0.000 0.627 163 A CB -0.357 18.577 19.000 -0.110 0.000 0.818 163 A HN 0.686 nan 8.150 nan 0.000 0.445 164 E N -0.813 119.086 120.200 -0.502 0.000 2.023 164 E HA -0.216 4.147 4.350 0.022 0.000 0.196 164 E C 1.831 177.996 176.600 -0.726 0.000 1.003 164 E CA 1.577 57.688 56.400 -0.482 0.000 0.809 164 E CB -0.182 29.352 29.700 -0.278 0.000 0.755 164 E HN 0.710 nan 8.360 nan 0.000 0.449 165 N N -1.156 117.186 118.700 -0.597 0.000 2.424 165 N HA -0.039 4.715 4.740 0.022 0.000 0.178 165 N C -0.806 174.446 175.510 -0.430 0.000 1.060 165 N CA 0.183 52.967 53.050 -0.443 0.000 0.901 165 N CB 0.212 38.565 38.487 -0.224 0.000 0.979 165 N HN 0.171 nan 8.380 nan 0.000 0.451 166 H N -1.911 116.945 119.070 -0.356 0.000 2.819 166 H HA -0.140 4.429 4.556 0.022 0.000 0.323 166 H C -0.818 174.508 175.328 -0.003 0.000 1.243 166 H CA 0.743 56.672 56.048 -0.199 0.000 1.163 166 H CB -2.121 27.512 29.762 -0.216 0.000 1.493 166 H HN 0.027 nan 8.280 nan 0.000 0.434 167 T N 0.235 114.713 114.554 -0.126 0.000 2.907 167 T HA 0.487 4.850 4.350 0.022 0.000 0.290 167 T C 0.065 174.730 174.700 -0.058 0.000 1.066 167 T CA -0.931 61.148 62.100 -0.036 0.000 1.012 167 T CB 2.059 70.873 68.868 -0.090 0.000 1.184 167 T HN 0.250 nan 8.240 nan 0.000 0.522 168 L N 2.355 123.535 121.223 -0.072 0.000 2.283 168 L HA 0.291 4.644 4.340 0.022 0.000 0.287 168 L C -0.226 176.558 176.870 -0.145 0.000 1.073 168 L CA -0.369 54.349 54.840 -0.204 0.000 0.822 168 L CB 0.467 42.361 42.059 -0.276 0.000 1.186 168 L HN 0.596 nan 8.230 nan 0.000 0.436 169 D N 4.307 124.617 120.400 -0.150 0.000 2.498 169 D HA -0.077 4.576 4.640 0.022 0.000 0.229 169 D C 0.886 177.177 176.300 -0.015 0.000 1.188 169 D CA 0.073 54.030 54.000 -0.072 0.000 1.028 169 D CB 0.225 40.981 40.800 -0.072 0.000 1.087 169 D HN 0.455 nan 8.370 nan 0.000 0.510 170 F N 2.249 122.110 119.950 -0.148 0.000 2.134 170 F HA -0.183 4.358 4.527 0.022 0.000 0.299 170 F C 1.775 177.539 175.800 -0.061 0.000 1.097 170 F CA 1.340 59.270 58.000 -0.117 0.000 1.264 170 F CB 0.220 39.159 39.000 -0.103 0.000 1.001 170 F HN 0.309 nan 8.300 nan 0.000 0.479 171 D N 0.005 120.393 120.400 -0.021 0.000 2.144 171 D HA -0.178 4.475 4.640 0.022 0.000 0.199 171 D C 2.288 178.522 176.300 -0.110 0.000 0.984 171 D CA 1.467 55.413 54.000 -0.090 0.000 0.834 171 D CB -0.416 40.372 40.800 -0.019 0.000 0.955 171 D HN 0.387 nan 8.370 nan 0.000 0.465 172 A N 1.139 123.918 122.820 -0.068 0.000 1.968 172 A HA -0.056 4.277 4.320 0.022 0.000 0.217 172 A C 2.244 179.801 177.584 -0.045 0.000 1.169 172 A CA 0.420 52.433 52.037 -0.040 0.000 0.638 172 A CB -0.606 18.389 19.000 -0.009 0.000 0.812 172 A HN 0.196 nan 8.150 nan 0.000 0.446 173 L N -0.227 120.944 121.223 -0.087 0.000 1.994 173 L HA -0.160 4.194 4.340 0.022 0.000 0.208 173 L C 2.303 179.047 176.870 -0.211 0.000 1.071 173 L CA 1.355 56.148 54.840 -0.080 0.000 0.745 173 L CB -0.261 41.730 42.059 -0.113 0.000 0.892 173 L HN 0.286 nan 8.230 nan 0.000 0.431 174 I N 0.456 120.814 120.570 -0.353 0.000 2.118 174 I HA -0.337 3.846 4.170 0.022 0.000 0.241 174 I C 2.252 178.272 176.117 -0.162 0.000 1.070 174 I CA 1.570 62.688 61.300 -0.303 0.000 1.327 174 I CB -1.682 36.093 38.000 -0.375 0.000 1.034 174 I HN 0.451 nan 8.210 nan 0.000 0.405 175 N N 0.558 119.181 118.700 -0.128 0.000 2.289 175 N HA -0.105 4.648 4.740 0.022 0.000 0.184 175 N C 1.957 177.432 175.510 -0.060 0.000 1.016 175 N CA 1.175 54.181 53.050 -0.073 0.000 0.872 175 N CB 0.014 38.471 38.487 -0.048 0.000 0.973 175 N HN 0.310 nan 8.380 nan 0.000 0.433 176 S N 0.961 116.625 115.700 -0.061 0.000 2.377 176 S HA 0.134 4.617 4.470 0.022 0.000 0.223 176 S C 2.062 176.541 174.600 -0.203 0.000 1.030 176 S CA 0.228 58.413 58.200 -0.026 0.000 0.970 176 S CB 0.005 63.263 63.200 0.098 0.000 0.830 176 S HN 0.235 nan 8.310 nan 0.000 0.473 177 L N 2.060 123.087 121.223 -0.326 0.000 2.353 177 L HA -0.071 4.283 4.340 0.022 0.000 0.220 177 L C 1.627 178.268 176.870 -0.382 0.000 1.133 177 L CA 0.539 55.007 54.840 -0.620 0.000 0.798 177 L CB -0.614 41.059 42.059 -0.643 0.000 0.922 177 L HN 0.252 nan 8.230 nan 0.000 0.445 178 N N 0.159 118.768 118.700 -0.151 0.000 2.519 178 N HA -0.204 4.550 4.740 0.022 0.000 0.186 178 N C 1.510 176.985 175.510 -0.058 0.000 1.062 178 N CA 0.861 53.894 53.050 -0.029 0.000 0.910 178 N CB -0.015 38.462 38.487 -0.017 0.000 0.958 178 N HN 0.458 nan 8.380 nan 0.000 0.445 179 E N -0.121 119.978 120.200 -0.168 0.000 2.479 179 E HA 0.193 4.556 4.350 0.022 0.000 0.193 179 E C -0.352 176.178 176.600 -0.117 0.000 1.049 179 E CA -0.316 56.043 56.400 -0.068 0.000 0.870 179 E CB 0.285 30.026 29.700 0.070 0.000 0.944 179 E HN 0.187 nan 8.360 nan 0.000 0.492 180 A N 1.088 123.652 122.820 -0.426 0.000 2.309 180 A HA 0.351 4.684 4.320 0.022 0.000 0.298 180 A C -0.321 177.324 177.584 0.100 0.000 1.165 180 A CA -0.490 51.278 52.037 -0.448 0.000 0.821 180 A CB 0.772 18.933 19.000 -1.399 0.000 1.102 180 A HN 0.177 nan 8.150 nan 0.000 0.500 181 Q N 0.710 120.626 119.800 0.194 0.000 2.169 181 Q HA 0.617 4.971 4.340 0.022 0.000 0.234 181 Q C 0.255 176.433 176.000 0.298 0.000 0.980 181 Q CA -0.404 55.533 55.803 0.224 0.000 0.941 181 Q CB 1.206 30.041 28.738 0.161 0.000 1.199 181 Q HN 0.925 nan 8.270 nan 0.000 0.496 182 A N 0.310 123.242 122.820 0.186 0.000 2.520 182 A HA 0.440 4.774 4.320 0.022 0.000 0.245 182 A C 1.006 178.694 177.584 0.172 0.000 1.072 182 A CA 0.759 52.886 52.037 0.151 0.000 0.761 182 A CB -0.952 18.081 19.000 0.055 0.000 1.004 182 A HN 0.964 nan 8.150 nan 0.000 0.499 183 G N 2.116 111.040 108.800 0.207 0.000 2.179 183 G HA2 -0.157 3.816 3.960 0.022 0.000 0.220 183 G HA3 -0.157 3.816 3.960 0.022 0.000 0.220 183 G C -0.148 174.864 174.900 0.186 0.000 0.990 183 G CA 0.207 45.409 45.100 0.170 0.000 0.646 183 G HN 0.772 nan 8.290 nan 0.000 0.517 184 D N 0.094 120.644 120.400 0.249 0.000 2.283 184 D HA 0.556 5.209 4.640 0.022 0.000 0.248 184 D C 0.548 176.966 176.300 0.195 0.000 1.072 184 D CA -0.195 53.938 54.000 0.222 0.000 0.929 184 D CB 1.905 42.873 40.800 0.280 0.000 1.182 184 D HN 0.119 nan 8.370 nan 0.000 0.433 185 V N 1.676 121.669 119.914 0.130 0.000 2.481 185 V HA 0.316 4.450 4.120 0.022 0.000 0.286 185 V C 0.150 176.260 176.094 0.026 0.000 1.042 185 V CA -0.621 61.723 62.300 0.072 0.000 0.928 185 V CB 1.694 33.498 31.823 -0.033 0.000 0.986 185 V HN 0.222 nan 8.190 nan 0.000 0.462 186 V N 5.786 125.681 119.914 -0.031 0.000 2.448 186 V HA 0.394 4.527 4.120 0.022 0.000 0.295 186 V C -0.400 175.515 176.094 -0.298 0.000 1.025 186 V CA -0.693 61.472 62.300 -0.224 0.000 0.859 186 V CB 1.712 33.243 31.823 -0.488 0.000 0.988 186 V HN 0.601 nan 8.190 nan 0.000 0.431 187 L N 5.992 127.052 121.223 -0.273 0.000 2.276 187 L HA 0.650 5.003 4.340 0.022 0.000 0.286 187 L C -1.026 175.647 176.870 -0.329 0.000 1.061 187 L CA -0.095 54.612 54.840 -0.223 0.000 0.807 187 L CB 0.497 42.472 42.059 -0.140 0.000 1.177 187 L HN 0.452 nan 8.230 nan 0.000 0.429 188 F N 3.491 123.349 119.950 -0.154 0.000 2.532 188 F HA 0.458 4.998 4.527 0.022 0.000 0.321 188 F C 0.386 176.221 175.800 0.057 0.000 1.089 188 F CA -0.587 57.337 58.000 -0.127 0.000 0.926 188 F CB 1.371 39.937 39.000 -0.723 0.000 1.168 188 F HN 0.440 nan 8.300 nan 0.000 0.459 189 H N 1.285 120.574 119.070 0.364 0.000 2.562 189 H HA 0.190 4.760 4.556 0.023 0.000 0.314 189 H C 0.952 176.627 175.328 0.579 0.000 1.079 189 H CA -0.065 56.230 56.048 0.412 0.000 1.349 189 H CB 1.729 31.732 29.762 0.400 0.000 1.432 189 H HN 0.952 nan 8.280 nan 0.000 0.479 190 G N 2.873 112.055 108.800 0.637 0.000 2.476 190 G HA2 -0.193 3.780 3.960 0.022 0.000 0.218 190 G HA3 -0.193 3.780 3.960 0.022 0.000 0.218 190 G C 0.491 175.786 174.900 0.658 0.000 1.164 190 G CA 1.210 46.584 45.100 0.456 0.000 0.768 190 G HN 0.786 nan 8.290 nan 0.000 0.560 191 C N -5.356 114.393 119.300 0.747 0.000 3.253 191 C HA 0.500 4.973 4.460 0.022 0.000 0.342 191 C C 0.218 175.522 174.990 0.524 0.000 1.306 191 C CA -1.020 58.374 59.018 0.627 0.000 1.207 191 C CB 0.554 28.623 27.740 0.549 0.000 1.479 191 C HN 0.979 nan 8.230 nan 0.000 0.469 192 C N 2.395 121.924 119.300 0.382 0.000 3.873 192 C HA -0.120 4.353 4.460 0.022 0.000 0.302 192 C C 0.513 175.650 174.990 0.245 0.000 1.266 192 C CA 1.110 60.254 59.018 0.210 0.000 2.185 192 C CB -3.231 24.521 27.740 0.019 0.000 1.380 192 C HN 1.263 nan 8.230 nan 0.000 0.623 193 H N 1.846 121.046 119.070 0.216 0.000 3.125 193 H HA 0.055 4.625 4.556 0.023 0.000 0.310 193 H C 0.521 175.902 175.328 0.089 0.000 0.980 193 H CA 1.166 57.298 56.048 0.139 0.000 1.422 193 H CB 0.525 30.244 29.762 -0.071 0.000 1.432 193 H HN 0.692 nan 8.280 nan 0.000 0.577 194 N N 6.882 125.482 118.700 -0.167 0.000 2.422 194 N HA 0.133 4.886 4.740 0.022 0.000 0.266 194 N C -2.121 173.158 175.510 -0.385 0.000 1.007 194 N CA -2.252 50.719 53.050 -0.131 0.000 0.941 194 N CB 1.468 39.982 38.487 0.045 0.000 1.115 194 N HN 0.420 nan 8.380 nan 0.000 0.492 195 P HA 0.112 nan 4.420 nan 0.000 0.275 195 P C 0.679 177.777 177.300 -0.337 0.000 1.310 195 P CA 0.252 63.150 63.100 -0.336 0.000 0.904 195 P CB 0.234 31.727 31.700 -0.345 0.000 1.381 196 T N -4.158 110.190 114.554 -0.344 0.000 2.951 196 T HA 0.114 4.477 4.350 0.022 0.000 0.268 196 T C 1.748 176.456 174.700 0.013 0.000 1.073 196 T CA 1.296 63.183 62.100 -0.356 0.000 1.134 196 T CB -1.310 67.311 68.868 -0.411 0.000 0.884 196 T HN 0.178 nan 8.240 nan 0.000 0.479 197 G N 1.296 110.175 108.800 0.130 0.000 2.168 197 G HA2 -0.224 3.750 3.960 0.022 0.000 0.263 197 G HA3 -0.224 3.750 3.960 0.022 0.000 0.263 197 G C 0.030 175.053 174.900 0.207 0.000 0.977 197 G CA 0.319 45.521 45.100 0.171 0.000 0.659 197 G HN 0.682 nan 8.290 nan 0.000 0.533 198 I N 1.460 122.165 120.570 0.225 0.000 2.354 198 I HA 0.425 4.608 4.170 0.022 0.000 0.292 198 I C -0.661 175.606 176.117 0.251 0.000 0.989 198 I CA -0.793 60.641 61.300 0.224 0.000 1.188 198 I CB 1.355 39.490 38.000 0.226 0.000 1.342 198 I HN -0.063 nan 8.210 nan 0.000 0.457 199 D N 7.062 127.583 120.400 0.202 0.000 2.423 199 D HA 0.475 5.128 4.640 0.022 0.000 0.235 199 D C -2.466 173.821 176.300 -0.022 0.000 1.011 199 D CA -1.418 52.699 54.000 0.194 0.000 0.963 199 D CB 1.618 42.621 40.800 0.337 0.000 1.349 199 D HN 0.145 nan 8.370 nan 0.000 0.508 200 P HA 0.151 nan 4.420 nan 0.000 0.274 200 P C 0.035 177.128 177.300 -0.345 0.000 1.237 200 P CA -0.266 62.497 63.100 -0.561 0.000 0.793 200 P CB 0.413 31.397 31.700 -1.194 0.000 0.977 201 T N -0.590 113.822 114.554 -0.237 0.000 2.754 201 T HA 0.094 4.457 4.350 0.022 0.000 0.286 201 T C 1.067 175.842 174.700 0.124 0.000 0.997 201 T CA -0.552 61.533 62.100 -0.024 0.000 0.982 201 T CB 0.184 69.013 68.868 -0.065 0.000 1.027 201 T HN 0.170 nan 8.240 nan 0.000 0.529 202 L N 0.264 121.631 121.223 0.240 0.000 2.083 202 L HA 0.061 4.414 4.340 0.022 0.000 0.209 202 L C 2.527 179.529 176.870 0.219 0.000 1.083 202 L CA 1.850 56.889 54.840 0.331 0.000 0.752 202 L CB -1.318 40.867 42.059 0.210 0.000 0.899 202 L HN 0.832 nan 8.230 nan 0.000 0.433 203 E N -0.492 119.764 120.200 0.092 0.000 2.118 203 E HA -0.245 4.118 4.350 0.022 0.000 0.195 203 E C 2.256 178.863 176.600 0.011 0.000 0.992 203 E CA 1.524 57.948 56.400 0.040 0.000 0.804 203 E CB -0.118 29.575 29.700 -0.012 0.000 0.741 203 E HN 0.639 nan 8.360 nan 0.000 0.458 204 Q N -1.580 118.157 119.800 -0.104 0.000 2.123 204 Q HA -0.116 4.238 4.340 0.022 0.000 0.199 204 Q C 1.913 177.953 176.000 0.067 0.000 0.966 204 Q CA 1.145 56.790 55.803 -0.264 0.000 0.845 204 Q CB -0.226 28.079 28.738 -0.722 0.000 0.907 204 Q HN 0.434 nan 8.270 nan 0.000 0.439 205 W N 0.922 122.281 121.300 0.099 0.000 2.363 205 W HA -0.183 4.491 4.660 0.023 0.000 0.296 205 W C 2.522 179.151 176.519 0.183 0.000 1.212 205 W CA 0.317 57.794 57.345 0.220 0.000 1.260 205 W CB 0.148 29.736 29.460 0.213 0.000 1.131 205 W HN 0.192 nan 8.180 nan 0.000 0.530 206 Q N -0.183 119.814 119.800 0.329 0.000 2.046 206 Q HA -0.146 4.208 4.340 0.022 0.000 0.200 206 Q C 2.068 178.127 176.000 0.098 0.000 0.975 206 Q CA 2.122 58.017 55.803 0.154 0.000 0.836 206 Q CB -1.002 27.801 28.738 0.108 0.000 0.896 206 Q HN 0.186 nan 8.270 nan 0.000 0.428 207 T N 1.834 116.477 114.554 0.148 0.000 2.720 207 T HA -0.128 4.236 4.350 0.022 0.000 0.268 207 T C 1.966 176.765 174.700 0.165 0.000 1.037 207 T CA 1.131 63.328 62.100 0.162 0.000 1.144 207 T CB -0.215 68.815 68.868 0.271 0.000 0.864 207 T HN 0.212 nan 8.240 nan 0.000 0.444 208 L N 0.498 121.878 121.223 0.263 0.000 2.217 208 L HA 0.052 4.405 4.340 0.022 0.000 0.211 208 L C 2.983 179.860 176.870 0.012 0.000 1.107 208 L CA 0.755 55.774 54.840 0.299 0.000 0.783 208 L CB -0.636 41.719 42.059 0.495 0.000 0.919 208 L HN 0.218 nan 8.230 nan 0.000 0.442 209 A N -0.074 122.525 122.820 -0.368 0.000 1.902 209 A HA -0.229 4.105 4.320 0.022 0.000 0.217 209 A C 2.267 179.648 177.584 -0.339 0.000 1.181 209 A CA 1.509 52.959 52.037 -0.979 0.000 0.623 209 A CB -0.351 18.245 19.000 -0.674 0.000 0.818 209 A HN 0.457 nan 8.150 nan 0.000 0.443 210 Q N -1.228 118.465 119.800 -0.178 0.000 2.049 210 Q HA -0.068 4.286 4.340 0.022 0.000 0.198 210 Q C 2.106 178.020 176.000 -0.143 0.000 0.971 210 Q CA 1.216 56.938 55.803 -0.136 0.000 0.833 210 Q CB -0.325 28.363 28.738 -0.083 0.000 0.896 210 Q HN 0.541 nan 8.270 nan 0.000 0.434 211 L N 0.637 121.805 121.223 -0.092 0.000 2.079 211 L HA -0.193 4.161 4.340 0.022 0.000 0.210 211 L C 2.314 178.957 176.870 -0.378 0.000 1.081 211 L CA 1.907 56.655 54.840 -0.153 0.000 0.752 211 L CB -0.830 41.225 42.059 -0.006 0.000 0.896 211 L HN 0.086 nan 8.230 nan 0.000 0.433 212 S N -1.281 114.312 115.700 -0.178 0.000 2.382 212 S HA -0.145 4.339 4.470 0.022 0.000 0.228 212 S C 2.047 176.505 174.600 -0.237 0.000 1.027 212 S CA 1.586 59.712 58.200 -0.124 0.000 0.991 212 S CB -0.573 62.967 63.200 0.566 0.000 0.823 212 S HN 0.513 nan 8.310 nan 0.000 0.469 213 V N -0.532 119.223 119.914 -0.266 0.000 2.548 213 V HA 0.028 4.161 4.120 0.022 0.000 0.249 213 V C 1.938 177.852 176.094 -0.300 0.000 1.055 213 V CA 1.799 63.886 62.300 -0.356 0.000 1.065 213 V CB -0.970 30.608 31.823 -0.409 0.000 0.681 213 V HN 0.431 nan 8.190 nan 0.000 0.462 214 E N 0.457 120.471 120.200 -0.311 0.000 2.107 214 E HA -0.062 4.301 4.350 0.022 0.000 0.191 214 E C 1.929 178.329 176.600 -0.333 0.000 0.982 214 E CA 0.965 57.203 56.400 -0.269 0.000 0.809 214 E CB -0.094 29.472 29.700 -0.224 0.000 0.756 214 E HN 0.478 nan 8.360 nan 0.000 0.459 215 K N -0.244 119.815 120.400 -0.569 0.000 2.459 215 K HA 0.065 4.398 4.320 0.022 0.000 0.193 215 K C 0.926 177.165 176.600 -0.601 0.000 1.030 215 K CA 0.710 56.588 56.287 -0.680 0.000 1.026 215 K CB 0.570 32.385 32.500 -1.142 0.000 0.809 215 K HN 0.253 nan 8.250 nan 0.000 0.504 216 G N 2.016 110.541 108.800 -0.458 0.000 2.272 216 G HA2 -0.180 3.794 3.960 0.022 0.000 0.280 216 G HA3 -0.180 3.794 3.960 0.022 0.000 0.280 216 G C -0.449 174.471 174.900 0.034 0.000 1.067 216 G CA -0.138 44.860 45.100 -0.169 0.000 0.902 216 G HN 0.109 nan 8.290 nan 0.000 0.500 217 W N -0.792 120.589 121.300 0.134 0.000 2.375 217 W HA 0.675 5.348 4.660 0.022 0.000 0.336 217 W C 0.502 177.163 176.519 0.236 0.000 1.160 217 W CA -1.711 55.727 57.345 0.155 0.000 1.266 217 W CB 0.759 30.307 29.460 0.147 0.000 1.195 217 W HN 0.113 nan 8.180 nan 0.000 0.599 218 L N 4.914 126.403 121.223 0.444 0.000 2.257 218 L HA 0.345 4.698 4.340 0.022 0.000 0.290 218 L C -2.203 174.880 176.870 0.355 0.000 1.044 218 L CA -1.719 53.336 54.840 0.358 0.000 0.810 218 L CB 1.350 43.565 42.059 0.260 0.000 1.193 218 L HN -0.067 nan 8.230 nan 0.000 0.425 219 P HA 0.198 nan 4.420 nan 0.000 0.279 219 P C -1.251 176.229 177.300 0.300 0.000 1.239 219 P CA -0.411 62.911 63.100 0.371 0.000 0.789 219 P CB 1.063 32.992 31.700 0.382 0.000 0.933 220 L N 4.903 126.258 121.223 0.220 0.000 2.427 220 L HA 0.511 4.865 4.340 0.022 0.000 0.264 220 L C -1.719 175.245 176.870 0.157 0.000 0.989 220 L CA -0.735 54.229 54.840 0.206 0.000 0.865 220 L CB -0.181 41.959 42.059 0.134 0.000 1.209 220 L HN 0.113 nan 8.230 nan 0.000 0.430 221 F N 2.860 122.866 119.950 0.095 0.000 2.396 221 F HA 0.381 4.921 4.527 0.022 0.000 0.343 221 F C 0.644 176.496 175.800 0.088 0.000 1.104 221 F CA -0.015 58.021 58.000 0.060 0.000 1.161 221 F CB 1.066 39.986 39.000 -0.134 0.000 1.146 221 F HN 0.452 nan 8.300 nan 0.000 0.522 222 D N 3.569 124.111 120.400 0.236 0.000 2.392 222 D HA 0.185 4.838 4.640 0.022 0.000 0.228 222 D C -1.473 175.013 176.300 0.311 0.000 1.074 222 D CA -0.197 53.924 54.000 0.202 0.000 0.838 222 D CB 0.327 41.187 40.800 0.099 0.000 1.067 222 D HN 0.134 nan 8.370 nan 0.000 0.511 223 F N 3.238 123.229 119.950 0.068 0.000 2.359 223 F HA 0.516 5.058 4.527 0.024 0.000 0.369 223 F C 0.405 176.147 175.800 -0.096 0.000 1.084 223 F CA -1.267 56.756 58.000 0.039 0.000 1.096 223 F CB 1.109 40.110 39.000 0.002 0.000 1.335 223 F HN 0.468 nan 8.300 nan 0.000 0.457 224 A N 3.791 126.567 122.820 -0.074 0.000 2.358 224 A HA 0.204 4.538 4.320 0.022 0.000 0.223 224 A C -0.291 176.865 177.584 -0.714 0.000 1.218 224 A CA 0.246 51.995 52.037 -0.480 0.000 0.942 224 A CB -0.079 18.495 19.000 -0.710 0.000 1.005 224 A HN 0.512 nan 8.150 nan 0.000 0.514 225 Y N 0.368 120.633 120.300 -0.057 0.000 2.672 225 Y HA 0.329 4.892 4.550 0.023 0.000 0.272 225 Y C 0.530 176.456 175.900 0.044 0.000 1.055 225 Y CA -0.762 57.378 58.100 0.067 0.000 1.151 225 Y CB 0.010 38.499 38.460 0.048 0.000 1.190 225 Y HN 0.339 nan 8.280 nan 0.000 0.574 226 Q N 0.928 120.569 119.800 -0.264 0.000 2.255 226 Q HA 0.332 4.685 4.340 0.022 0.000 0.280 226 Q C 1.103 177.035 176.000 -0.114 0.000 1.068 226 Q CA 1.460 57.000 55.803 -0.438 0.000 0.911 226 Q CB 0.283 28.524 28.738 -0.827 0.000 1.157 226 Q HN 0.851 nan 8.270 nan 0.000 0.380 227 G N 3.332 112.083 108.800 -0.083 0.000 2.218 227 G HA2 -0.256 3.717 3.960 0.022 0.000 0.216 227 G HA3 -0.256 3.717 3.960 0.022 0.000 0.216 227 G C 0.170 174.901 174.900 -0.282 0.000 0.994 227 G CA 0.004 44.978 45.100 -0.211 0.000 0.637 227 G HN 0.659 nan 8.290 nan 0.000 0.505 228 F N 1.507 121.449 119.950 -0.013 0.000 2.789 228 F HA 0.568 5.107 4.527 0.020 0.000 0.300 228 F C 2.424 178.231 175.800 0.011 0.000 1.132 228 F CA 1.265 59.262 58.000 -0.004 0.000 1.404 228 F CB 0.279 39.301 39.000 0.037 0.000 1.114 228 F HN 0.381 nan 8.300 nan 0.000 0.584 229 A N 0.410 123.337 122.820 0.179 0.000 1.982 229 A HA 0.181 4.514 4.320 0.022 0.000 0.217 229 A C 1.994 179.632 177.584 0.090 0.000 1.457 229 A CA 0.654 52.783 52.037 0.153 0.000 0.654 229 A CB -0.053 19.066 19.000 0.199 0.000 1.150 229 A HN 0.240 nan 8.150 nan 0.000 0.509 230 R N -2.243 118.299 120.500 0.070 0.000 2.470 230 R HA 0.430 4.783 4.340 0.022 0.000 0.210 230 R C 0.557 176.848 176.300 -0.016 0.000 0.873 230 R CA 0.650 56.770 56.100 0.033 0.000 1.015 230 R CB 1.256 31.590 30.300 0.057 0.000 1.348 230 R HN 0.682 nan 8.270 nan 0.000 0.650 234 E N 1.051 121.265 120.200 0.023 0.000 2.152 234 E HA -0.149 4.214 4.350 0.022 0.000 0.192 234 E C 1.517 178.148 176.600 0.052 0.000 0.983 234 E CA 1.255 57.678 56.400 0.039 0.000 0.818 234 E CB 0.419 30.133 29.700 0.023 0.000 0.758 234 E HN 0.510 nan 8.360 nan 0.000 0.467 235 E N 0.919 121.150 120.200 0.052 0.000 2.107 235 E HA -0.110 4.254 4.350 0.022 0.000 0.191 235 E C 1.440 178.108 176.600 0.114 0.000 0.982 235 E CA 0.854 57.296 56.400 0.071 0.000 0.809 235 E CB -0.012 29.726 29.700 0.064 0.000 0.756 235 E HN 0.115 nan 8.360 nan 0.000 0.459 236 D N -0.094 120.394 120.400 0.147 0.000 2.348 236 D HA -0.023 4.630 4.640 0.022 0.000 0.216 236 D C 1.244 177.755 176.300 0.351 0.000 0.970 236 D CA 0.907 55.059 54.000 0.254 0.000 0.889 236 D CB 0.043 40.983 40.800 0.233 0.000 0.912 236 D HN 0.203 nan 8.370 nan 0.000 0.524 237 A N 0.215 123.177 122.820 0.237 0.000 2.267 237 A HA 0.023 4.356 4.320 0.022 0.000 0.213 237 A C 1.825 179.328 177.584 -0.135 0.000 1.192 237 A CA 0.019 52.118 52.037 0.104 0.000 0.851 237 A CB -0.035 19.045 19.000 0.133 0.000 0.881 237 A HN 0.052 nan 8.150 nan 0.000 0.494 238 E N 0.148 120.302 120.200 -0.076 0.000 2.086 238 E HA -0.227 4.136 4.350 0.022 0.000 0.200 238 E C 2.091 178.522 176.600 -0.280 0.000 1.012 238 E CA 1.283 57.618 56.400 -0.109 0.000 0.812 238 E CB -0.341 29.355 29.700 -0.006 0.000 0.743 238 E HN 0.606 nan 8.360 nan 0.000 0.453 239 G N 1.509 109.935 108.800 -0.624 0.000 2.446 239 G HA2 -0.269 3.704 3.960 0.022 0.000 0.217 239 G HA3 -0.269 3.704 3.960 0.022 0.000 0.217 239 G C 1.570 175.986 174.900 -0.806 0.000 1.168 239 G CA 0.841 45.203 45.100 -1.229 0.000 0.771 239 G HN 0.178 nan 8.290 nan 0.000 0.551 240 L N 0.891 121.527 121.223 -0.978 0.000 2.046 240 L HA 0.000 4.353 4.340 0.022 0.000 0.208 240 L C 2.821 179.413 176.870 -0.464 0.000 1.077 240 L CA 1.707 55.859 54.840 -1.147 0.000 0.747 240 L CB -0.485 40.832 42.059 -1.237 0.000 0.896 240 L HN 0.141 nan 8.230 nan 0.000 0.432 241 R N -0.283 120.055 120.500 -0.271 0.000 2.148 241 R HA -0.023 4.331 4.340 0.022 0.000 0.227 241 R C 2.136 178.422 176.300 -0.024 0.000 1.103 241 R CA 1.046 57.106 56.100 -0.066 0.000 0.983 241 R CB -0.695 29.590 30.300 -0.025 0.000 0.874 241 R HN 0.533 nan 8.270 nan 0.000 0.451 242 A N 0.731 123.535 122.820 -0.027 0.000 1.929 242 A HA -0.098 4.236 4.320 0.022 0.000 0.216 242 A C 1.804 179.439 177.584 0.085 0.000 1.176 242 A CA 0.914 52.977 52.037 0.044 0.000 0.628 242 A CB -0.407 18.647 19.000 0.091 0.000 0.816 242 A HN 0.149 nan 8.150 nan 0.000 0.444 243 F N 0.084 119.983 119.950 -0.085 0.000 2.163 243 F HA 0.017 4.558 4.527 0.023 0.000 0.297 243 F C 2.735 178.556 175.800 0.035 0.000 1.094 243 F CA 0.984 58.977 58.000 -0.012 0.000 1.290 243 F CB -0.381 38.541 39.000 -0.129 0.000 1.017 243 F HN 0.243 nan 8.300 nan 0.000 0.483 244 A N -0.367 122.530 122.820 0.130 0.000 2.015 244 A HA -0.001 4.332 4.320 0.022 0.000 0.219 244 A C 2.284 179.873 177.584 0.010 0.000 1.163 244 A CA 1.467 53.531 52.037 0.045 0.000 0.646 244 A CB -1.128 17.846 19.000 -0.045 0.000 0.806 244 A HN 0.287 nan 8.150 nan 0.000 0.448 245 A N -1.441 121.390 122.820 0.018 0.000 2.067 245 A HA 0.157 4.490 4.320 0.022 0.000 0.217 245 A C 2.027 179.611 177.584 -0.001 0.000 1.156 245 A CA 1.587 53.620 52.037 -0.007 0.000 0.683 245 A CB -0.296 18.701 19.000 -0.006 0.000 0.808 245 A HN 0.560 nan 8.150 nan 0.000 0.455 246 M N -1.548 118.074 119.600 0.037 0.000 2.491 246 M HA 0.206 4.699 4.480 0.022 0.000 0.259 246 M C 0.106 176.384 176.300 -0.036 0.000 1.163 246 M CA 0.339 55.634 55.300 -0.008 0.000 1.109 246 M CB 0.446 33.029 32.600 -0.028 0.000 1.353 246 M HN 0.350 nan 8.290 nan 0.000 0.500 247 H N -0.310 118.757 119.070 -0.005 0.000 2.502 247 H HA 0.194 4.764 4.556 0.023 0.000 0.338 247 H C 0.035 175.375 175.328 0.021 0.000 1.155 247 H CA -0.345 55.725 56.048 0.037 0.000 1.237 247 H CB 2.011 31.856 29.762 0.138 0.000 1.534 247 H HN -0.080 nan 8.280 nan 0.000 0.523 248 K N 0.977 121.440 120.400 0.105 0.000 2.211 248 K HA 0.037 4.370 4.320 0.022 0.000 0.201 248 K C -0.307 176.354 176.600 0.102 0.000 1.052 248 K CA 0.936 57.262 56.287 0.065 0.000 0.973 248 K CB 0.622 33.141 32.500 0.031 0.000 0.766 248 K HN 0.620 nan 8.250 nan 0.000 0.466 249 E N -0.382 119.923 120.200 0.176 0.000 2.367 249 E HA 0.533 4.896 4.350 0.022 0.000 0.273 249 E C -1.489 175.257 176.600 0.243 0.000 0.903 249 E CA -1.034 55.475 56.400 0.182 0.000 0.764 249 E CB 2.066 31.875 29.700 0.181 0.000 1.252 249 E HN 0.042 nan 8.360 nan 0.000 0.446 250 L N -1.764 119.589 121.223 0.216 0.000 2.921 250 L HA 0.589 4.943 4.340 0.022 0.000 0.261 250 L C -1.805 175.202 176.870 0.228 0.000 0.984 250 L CA -0.712 54.272 54.840 0.240 0.000 0.951 250 L CB 0.791 42.989 42.059 0.232 0.000 1.495 250 L HN 0.581 nan 8.230 nan 0.000 0.414 251 I N 1.403 122.122 120.570 0.248 0.000 2.569 251 I HA 0.825 5.008 4.170 0.022 0.000 0.296 251 I C -1.026 175.233 176.117 0.236 0.000 1.028 251 I CA -1.301 60.136 61.300 0.229 0.000 1.082 251 I CB 2.244 40.387 38.000 0.238 0.000 1.264 251 I HN 0.594 nan 8.210 nan 0.000 0.429 252 V N 4.899 124.928 119.914 0.192 0.000 2.623 252 V HA 0.809 4.942 4.120 0.022 0.000 0.304 252 V C -0.834 175.344 176.094 0.140 0.000 1.054 252 V CA -0.187 62.212 62.300 0.165 0.000 0.882 252 V CB 1.695 33.551 31.823 0.056 0.000 1.002 252 V HN 0.828 nan 8.190 nan 0.000 0.424 253 A N 5.395 128.312 122.820 0.161 0.000 2.256 253 A HA 0.860 5.194 4.320 0.022 0.000 0.317 253 A C 0.140 177.782 177.584 0.097 0.000 1.318 253 A CA 0.041 52.156 52.037 0.129 0.000 0.894 253 A CB 0.692 19.785 19.000 0.154 0.000 1.165 253 A HN 1.489 nan 8.150 nan 0.000 0.525 254 S N 1.503 117.215 115.700 0.019 0.000 2.621 254 S HA 0.837 5.320 4.470 0.022 0.000 0.302 254 S C -0.090 174.373 174.600 -0.228 0.000 1.093 254 S CA -0.579 57.574 58.200 -0.080 0.000 1.017 254 S CB 1.759 64.882 63.200 -0.129 0.000 1.077 254 S HN 0.960 nan 8.310 nan 0.000 0.517 255 S N -0.168 115.326 115.700 -0.344 0.000 2.542 255 S HA 0.635 5.119 4.470 0.022 0.000 0.293 255 S C -1.343 172.989 174.600 -0.447 0.000 1.089 255 S CA -0.560 57.436 58.200 -0.340 0.000 0.961 255 S CB 0.788 63.827 63.200 -0.269 0.000 1.062 255 S HN 0.696 nan 8.310 nan 0.000 0.483 256 Y N 1.707 121.991 120.300 -0.026 0.000 2.557 256 Y HA 0.319 4.884 4.550 0.026 0.000 0.247 256 Y C 2.161 178.058 175.900 -0.004 0.000 1.164 256 Y CA -0.239 57.880 58.100 0.032 0.000 1.218 256 Y CB 0.053 38.479 38.460 -0.055 0.000 1.210 256 Y HN 0.581 nan 8.280 nan 0.000 0.529 257 S N 0.066 115.770 115.700 0.007 0.000 2.382 257 S HA -0.164 4.320 4.470 0.022 0.000 0.228 257 S C 1.774 176.139 174.600 -0.391 0.000 1.027 257 S CA 1.602 59.714 58.200 -0.146 0.000 0.991 257 S CB 0.081 63.252 63.200 -0.048 0.000 0.823 257 S HN 0.300 nan 8.310 nan 0.000 0.469 258 K N 1.924 122.242 120.400 -0.137 0.000 2.141 258 K HA 0.133 4.466 4.320 0.022 0.000 0.202 258 K C 1.655 178.426 176.600 0.285 0.000 1.045 258 K CA 0.980 57.264 56.287 -0.006 0.000 0.971 258 K CB -0.417 32.056 32.500 -0.044 0.000 0.795 258 K HN 0.580 nan 8.250 nan 0.000 0.459 259 N N -0.577 118.370 118.700 0.411 0.000 2.512 259 N HA -0.079 4.674 4.740 0.022 0.000 0.183 259 N C 0.564 176.206 175.510 0.220 0.000 1.073 259 N CA 0.688 53.922 53.050 0.307 0.000 0.911 259 N CB 0.042 38.688 38.487 0.265 0.000 0.964 259 N HN 0.060 nan 8.380 nan 0.000 0.447 260 F N -0.175 119.899 119.950 0.206 0.000 2.746 260 F HA 0.371 4.909 4.527 0.018 0.000 0.320 260 F C 1.411 177.203 175.800 -0.015 0.000 1.097 260 F CA -0.108 57.976 58.000 0.139 0.000 1.195 260 F CB 0.957 39.919 39.000 -0.063 0.000 1.056 260 F HN 0.085 nan 8.300 nan 0.000 0.562 261 G N 1.510 110.297 108.800 -0.021 0.000 2.283 261 G HA2 -0.315 3.658 3.960 0.022 0.000 0.280 261 G HA3 -0.315 3.658 3.960 0.022 0.000 0.280 261 G C 0.565 175.319 174.900 -0.243 0.000 1.029 261 G CA 0.475 45.435 45.100 -0.232 0.000 0.840 261 G HN 0.422 nan 8.290 nan 0.000 0.505 262 L N -0.555 120.523 121.223 -0.243 0.000 2.848 262 L HA 0.265 4.619 4.340 0.022 0.000 0.240 262 L C 2.186 179.015 176.870 -0.069 0.000 1.232 262 L CA -0.847 53.940 54.840 -0.088 0.000 1.031 262 L CB -0.386 41.656 42.059 -0.029 0.000 1.338 262 L HN 0.276 nan 8.230 nan 0.000 0.509 263 Y N 1.138 121.487 120.300 0.081 0.000 1.980 263 Y HA -0.435 4.128 4.550 0.021 0.000 0.249 263 Y C 2.500 178.418 175.900 0.029 0.000 1.215 263 Y CA 2.183 60.311 58.100 0.047 0.000 1.075 263 Y CB -0.986 37.501 38.460 0.046 0.000 0.894 263 Y HN 0.550 nan 8.280 nan 0.000 0.503 264 N N -0.028 118.799 118.700 0.211 0.000 2.521 264 N HA -0.105 4.648 4.740 0.022 0.000 0.188 264 N C 0.771 176.318 175.510 0.062 0.000 1.146 264 N CA 0.986 54.103 53.050 0.112 0.000 0.893 264 N CB -0.340 38.204 38.487 0.094 0.000 0.975 264 N HN 0.443 nan 8.380 nan 0.000 0.451 265 E N 0.564 120.796 120.200 0.054 0.000 2.447 265 E HA 0.054 4.417 4.350 0.022 0.000 0.195 265 E C -0.257 176.336 176.600 -0.013 0.000 1.028 265 E CA -0.023 56.393 56.400 0.027 0.000 0.876 265 E CB 0.110 29.836 29.700 0.042 0.000 0.885 265 E HN 0.179 nan 8.360 nan 0.000 0.500 266 R N -0.202 120.293 120.500 -0.008 0.000 2.717 266 R HA -0.119 4.235 4.340 0.022 0.000 0.298 266 R C -0.877 175.385 176.300 -0.064 0.000 0.971 266 R CA 0.214 56.293 56.100 -0.035 0.000 0.773 266 R CB -2.900 27.363 30.300 -0.061 0.000 2.073 266 R HN -0.091 nan 8.270 nan 0.000 0.494 267 V N 0.798 120.695 119.914 -0.028 0.000 2.443 267 V HA 0.918 5.051 4.120 0.022 0.000 0.293 267 V C 0.942 177.102 176.094 0.111 0.000 1.021 267 V CA -0.020 62.277 62.300 -0.005 0.000 0.848 267 V CB 2.268 34.093 31.823 0.004 0.000 0.998 267 V HN 0.845 nan 8.190 nan 0.000 0.424 268 G N 2.708 111.587 108.800 0.132 0.000 2.606 268 G HA2 0.939 4.913 3.960 0.022 0.000 0.300 268 G HA3 0.939 4.913 3.960 0.022 0.000 0.300 268 G C -1.511 173.531 174.900 0.236 0.000 1.360 268 G CA -0.059 45.106 45.100 0.108 0.000 0.783 268 G HN 1.261 nan 8.290 nan 0.000 0.484 269 A N -1.713 121.194 122.820 0.144 0.000 2.604 269 A HA 0.629 4.963 4.320 0.022 0.000 0.295 269 A C -1.188 176.474 177.584 0.129 0.000 1.067 269 A CA -0.174 51.987 52.037 0.207 0.000 0.683 269 A CB 1.361 20.516 19.000 0.257 0.000 1.281 269 A HN 1.956 nan 8.150 nan 0.000 0.407 270 C N 2.043 121.440 119.300 0.162 0.000 2.264 270 C HA 0.749 5.222 4.460 0.022 0.000 0.322 270 C C 0.131 175.212 174.990 0.153 0.000 1.210 270 C CA 0.026 59.132 59.018 0.147 0.000 1.539 270 C CB -0.830 27.001 27.740 0.151 0.000 2.167 270 C HN 0.771 nan 8.230 nan 0.000 0.463 271 T N 6.992 121.618 114.554 0.121 0.000 2.744 271 T HA 0.376 4.740 4.350 0.022 0.000 0.291 271 T C -0.401 174.383 174.700 0.140 0.000 0.957 271 T CA -0.055 62.116 62.100 0.118 0.000 1.002 271 T CB 0.867 69.793 68.868 0.096 0.000 0.919 271 T HN 0.679 nan 8.240 nan 0.000 0.468 272 L N 4.731 126.020 121.223 0.109 0.000 2.282 272 L HA 0.679 5.033 4.340 0.022 0.000 0.288 272 L C -1.016 175.902 176.870 0.080 0.000 1.033 272 L CA -0.665 54.233 54.840 0.097 0.000 0.807 272 L CB 0.966 43.076 42.059 0.084 0.000 1.209 272 L HN 0.378 nan 8.230 nan 0.000 0.423 273 V N 4.377 124.353 119.914 0.103 0.000 2.540 273 V HA 0.843 4.976 4.120 0.022 0.000 0.302 273 V C -0.090 176.047 176.094 0.071 0.000 1.035 273 V CA -0.388 61.943 62.300 0.051 0.000 0.873 273 V CB 1.519 33.355 31.823 0.020 0.000 0.992 273 V HN 0.900 nan 8.190 nan 0.000 0.428 274 A N 3.022 125.866 122.820 0.040 0.000 2.530 274 A HA 0.913 5.246 4.320 0.022 0.000 0.288 274 A C 1.053 178.654 177.584 0.027 0.000 1.172 274 A CA 0.071 52.145 52.037 0.060 0.000 0.733 274 A CB 1.248 20.296 19.000 0.079 0.000 1.320 274 A HN 1.216 nan 8.150 nan 0.000 0.419 275 A N -0.332 122.509 122.820 0.035 0.000 1.917 275 A HA 0.159 4.492 4.320 0.022 0.000 0.219 275 A C 0.578 178.162 177.584 -0.000 0.000 1.182 275 A CA 2.543 54.589 52.037 0.015 0.000 0.633 275 A CB -0.840 18.172 19.000 0.021 0.000 0.819 275 A HN 1.099 nan 8.150 nan 0.000 0.448 276 D N -4.820 115.584 120.400 0.006 0.000 2.615 276 D HA 0.406 5.060 4.640 0.022 0.000 0.267 276 D C 0.516 176.816 176.300 0.001 0.000 1.236 276 D CA 0.056 54.054 54.000 -0.002 0.000 0.839 276 D CB 0.657 41.458 40.800 0.002 0.000 1.380 276 D HN -0.114 nan 8.370 nan 0.000 0.433 277 S N -0.681 115.015 115.700 -0.006 0.000 2.365 277 S HA -0.284 4.200 4.470 0.022 0.000 0.225 277 S C 1.555 176.162 174.600 0.011 0.000 1.039 277 S CA 1.838 60.034 58.200 -0.006 0.000 1.033 277 S CB -0.481 62.714 63.200 -0.009 0.000 0.887 277 S HN 0.531 nan 8.310 nan 0.000 0.447 278 E N 0.073 120.283 120.200 0.017 0.000 2.077 278 E HA -0.116 4.247 4.350 0.022 0.000 0.193 278 E C 2.001 178.628 176.600 0.044 0.000 0.989 278 E CA 1.747 58.164 56.400 0.029 0.000 0.800 278 E CB -0.619 29.096 29.700 0.025 0.000 0.746 278 E HN 0.629 nan 8.360 nan 0.000 0.452 279 T N 0.618 115.199 114.554 0.045 0.000 2.770 279 T HA -0.090 4.274 4.350 0.022 0.000 0.263 279 T C 1.933 176.685 174.700 0.088 0.000 1.039 279 T CA 1.133 63.273 62.100 0.065 0.000 1.142 279 T CB -0.396 68.508 68.868 0.061 0.000 0.868 279 T HN 0.058 nan 8.240 nan 0.000 0.435 280 V N 1.995 121.949 119.914 0.068 0.000 2.490 280 V HA -0.193 3.940 4.120 0.022 0.000 0.250 280 V C 1.899 178.059 176.094 0.110 0.000 1.061 280 V CA 2.040 64.385 62.300 0.076 0.000 1.064 280 V CB -0.577 31.254 31.823 0.014 0.000 0.670 280 V HN 0.367 nan 8.190 nan 0.000 0.461 281 D N -0.483 119.968 120.400 0.085 0.000 2.144 281 D HA -0.123 4.530 4.640 0.022 0.000 0.200 281 D C 2.405 178.800 176.300 0.158 0.000 0.978 281 D CA 1.220 55.291 54.000 0.117 0.000 0.833 281 D CB -0.191 40.652 40.800 0.071 0.000 0.961 281 D HN 0.393 nan 8.370 nan 0.000 0.470 282 R N 0.162 120.739 120.500 0.129 0.000 2.062 282 R HA 0.060 4.413 4.340 0.022 0.000 0.229 282 R C 2.210 178.610 176.300 0.167 0.000 1.128 282 R CA 1.132 57.307 56.100 0.125 0.000 0.960 282 R CB -0.182 30.177 30.300 0.100 0.000 0.855 282 R HN 0.099 nan 8.270 nan 0.000 0.432 283 A N 0.422 123.365 122.820 0.205 0.000 1.883 283 A HA -0.212 4.121 4.320 0.022 0.000 0.217 283 A C 1.954 179.700 177.584 0.270 0.000 1.186 283 A CA 1.237 53.454 52.037 0.300 0.000 0.624 283 A CB -0.706 18.489 19.000 0.326 0.000 0.822 283 A HN 0.374 nan 8.150 nan 0.000 0.444 284 F N 2.121 122.090 119.950 0.032 0.000 2.171 284 F HA -0.199 4.341 4.527 0.021 0.000 0.300 284 F C 2.751 178.553 175.800 0.002 0.000 1.090 284 F CA 1.754 59.728 58.000 -0.043 0.000 1.293 284 F CB -0.328 38.654 39.000 -0.030 0.000 1.013 284 F HN 0.332 nan 8.300 nan 0.000 0.486 285 S N -0.704 115.036 115.700 0.066 0.000 2.419 285 S HA -0.228 4.255 4.470 0.022 0.000 0.235 285 S C 1.824 176.393 174.600 -0.052 0.000 1.019 285 S CA 1.041 59.229 58.200 -0.019 0.000 0.982 285 S CB -0.530 62.700 63.200 0.050 0.000 0.789 285 S HN 0.455 nan 8.310 nan 0.000 0.490 286 Q N 0.664 120.487 119.800 0.039 0.000 2.137 286 Q HA 0.171 4.525 4.340 0.022 0.000 0.198 286 Q C 2.107 178.155 176.000 0.080 0.000 0.960 286 Q CA 1.012 56.880 55.803 0.108 0.000 0.847 286 Q CB -0.444 28.444 28.738 0.250 0.000 0.915 286 Q HN 0.702 nan 8.270 nan 0.000 0.448 287 M N 0.524 120.078 119.600 -0.077 0.000 2.159 287 M HA -0.166 4.327 4.480 0.022 0.000 0.263 287 M C 1.725 177.835 176.300 -0.316 0.000 1.063 287 M CA 1.441 56.584 55.300 -0.262 0.000 1.110 287 M CB 0.117 32.331 32.600 -0.643 0.000 1.374 287 M HN -0.020 nan 8.290 nan 0.000 0.411 288 K N -0.012 120.125 120.400 -0.438 0.000 2.097 288 K HA -0.069 4.264 4.320 0.022 0.000 0.205 288 K C 1.958 178.440 176.600 -0.197 0.000 1.050 288 K CA 1.281 57.359 56.287 -0.348 0.000 0.938 288 K CB -0.204 32.098 32.500 -0.331 0.000 0.718 288 K HN 0.435 nan 8.250 nan 0.000 0.442 289 A N 1.448 124.190 122.820 -0.131 0.000 1.972 289 A HA -0.090 4.243 4.320 0.022 0.000 0.219 289 A C 2.309 179.844 177.584 -0.082 0.000 1.169 289 A CA 1.746 53.733 52.037 -0.083 0.000 0.635 289 A CB -0.462 18.515 19.000 -0.037 0.000 0.810 289 A HN 0.324 nan 8.150 nan 0.000 0.446 290 A N -0.334 122.448 122.820 -0.063 0.000 1.969 290 A HA 0.029 4.362 4.320 0.022 0.000 0.218 290 A C 2.052 179.557 177.584 -0.132 0.000 1.169 290 A CA 1.319 53.328 52.037 -0.046 0.000 0.635 290 A CB -0.475 18.548 19.000 0.038 0.000 0.810 290 A HN 0.497 nan 8.150 nan 0.000 0.445 291 I N -1.224 119.218 120.570 -0.214 0.000 2.277 291 I HA -0.164 4.019 4.170 0.022 0.000 0.243 291 I C 2.587 178.437 176.117 -0.445 0.000 1.094 291 I CA 1.368 62.414 61.300 -0.423 0.000 1.393 291 I CB -0.186 37.585 38.000 -0.382 0.000 1.078 291 I HN 0.269 nan 8.210 nan 0.000 0.417 292 R N 1.953 122.292 120.500 -0.269 0.000 2.105 292 R HA -0.126 4.228 4.340 0.022 0.000 0.239 292 R C 1.913 178.114 176.300 -0.164 0.000 1.135 292 R CA 1.927 57.906 56.100 -0.202 0.000 0.967 292 R CB -0.547 29.669 30.300 -0.140 0.000 0.861 292 R HN 0.347 nan 8.270 nan 0.000 0.442 293 A N -0.389 122.349 122.820 -0.138 0.000 2.238 293 A HA 0.065 4.398 4.320 0.022 0.000 0.208 293 A C 1.521 179.057 177.584 -0.079 0.000 1.177 293 A CA 0.696 52.681 52.037 -0.087 0.000 0.804 293 A CB -0.434 18.532 19.000 -0.056 0.000 0.823 293 A HN 0.447 nan 8.150 nan 0.000 0.482 294 N N -0.650 117.964 118.700 -0.143 0.000 2.652 294 N HA 0.033 4.787 4.740 0.022 0.000 0.226 294 N C 0.904 176.403 175.510 -0.018 0.000 1.023 294 N CA 1.567 54.568 53.050 -0.082 0.000 1.126 294 N CB 0.008 38.431 38.487 -0.106 0.000 1.476 294 N HN 0.441 nan 8.380 nan 0.000 0.537 295 Y N -1.568 118.734 120.300 0.004 0.000 2.588 295 Y HA 0.600 5.164 4.550 0.024 0.000 0.247 295 Y C 1.174 177.078 175.900 0.006 0.000 1.157 295 Y CA 0.200 58.305 58.100 0.009 0.000 1.215 295 Y CB -0.002 38.466 38.460 0.013 0.000 1.245 295 Y HN 0.096 nan 8.280 nan 0.000 0.534 296 S N 0.998 116.586 115.700 -0.187 0.000 1.577 296 S HA -0.319 4.165 4.470 0.022 0.000 0.240 296 S C -0.155 174.402 174.600 -0.073 0.000 0.755 296 S CA 2.059 60.187 58.200 -0.119 0.000 1.398 296 S CB -1.760 61.413 63.200 -0.044 0.000 1.552 296 S HN 0.998 nan 8.310 nan 0.000 0.510 297 N N 1.223 120.008 118.700 0.141 0.000 2.484 297 N HA 0.674 5.428 4.740 0.022 0.000 0.269 297 N C -3.312 172.408 175.510 0.351 0.000 1.237 297 N CA -1.390 51.783 53.050 0.206 0.000 0.838 297 N CB 1.627 40.199 38.487 0.142 0.000 1.593 297 N HN 0.283 nan 8.380 nan 0.000 0.485 298 P HA 0.309 nan 4.420 nan 0.000 0.276 298 P C -2.595 174.706 177.300 0.002 0.000 1.244 298 P CA -1.232 61.919 63.100 0.084 0.000 0.801 298 P CB -0.045 31.675 31.700 0.033 0.000 1.006 299 P HA 0.052 nan 4.420 nan 0.000 0.266 299 P C 0.524 177.776 177.300 -0.079 0.000 1.215 299 P CA 0.095 63.161 63.100 -0.056 0.000 0.763 299 P CB 0.588 32.243 31.700 -0.076 0.000 0.806 300 A N 3.923 126.715 122.820 -0.047 0.000 1.873 300 A HA -0.223 4.110 4.320 0.022 0.000 0.215 300 A C 2.244 179.777 177.584 -0.085 0.000 1.186 300 A CA 1.261 53.255 52.037 -0.072 0.000 0.616 300 A CB -1.704 17.275 19.000 -0.035 0.000 0.823 300 A HN 0.712 nan 8.150 nan 0.000 0.442 301 H N -0.443 118.562 119.070 -0.107 0.000 2.260 301 H HA -0.238 4.317 4.556 -0.002 0.000 0.288 301 H C 2.348 177.598 175.328 -0.130 0.000 1.094 301 H CA 2.358 58.346 56.048 -0.100 0.000 1.197 301 H CB -0.540 29.178 29.762 -0.073 0.000 1.346 301 H HN 0.449 nan 8.280 nan 0.000 0.486 302 G N -0.374 108.359 108.800 -0.112 0.000 2.418 302 G HA2 -0.204 3.769 3.960 0.022 0.000 0.217 302 G HA3 -0.204 3.769 3.960 0.022 0.000 0.217 302 G C 1.904 176.610 174.900 -0.323 0.000 1.158 302 G CA 1.150 46.135 45.100 -0.193 0.000 0.771 302 G HN 0.589 nan 8.290 nan 0.000 0.545 303 A N 0.490 123.084 122.820 -0.377 0.000 1.929 303 A HA 0.121 4.454 4.320 0.022 0.000 0.216 303 A C 2.678 180.046 177.584 -0.360 0.000 1.176 303 A CA 2.006 53.710 52.037 -0.555 0.000 0.628 303 A CB -0.451 18.015 19.000 -0.890 0.000 0.816 303 A HN 0.288 nan 8.150 nan 0.000 0.444 304 S N -0.347 115.177 115.700 -0.294 0.000 2.368 304 S HA -0.131 4.353 4.470 0.022 0.000 0.225 304 S C 1.930 176.386 174.600 -0.240 0.000 1.030 304 S CA 1.408 59.480 58.200 -0.213 0.000 0.999 304 S CB -0.444 62.644 63.200 -0.186 0.000 0.844 304 S HN 0.349 nan 8.310 nan 0.000 0.459 305 V N 1.544 121.259 119.914 -0.333 0.000 2.233 305 V HA -0.185 3.948 4.120 0.022 0.000 0.247 305 V C 2.348 178.225 176.094 -0.362 0.000 1.050 305 V CA 1.717 63.829 62.300 -0.313 0.000 1.010 305 V CB -0.863 30.763 31.823 -0.327 0.000 0.637 305 V HN 0.335 nan 8.190 nan 0.000 0.444 306 V N 0.253 119.843 119.914 -0.540 0.000 2.282 306 V HA -0.342 3.791 4.120 0.022 0.000 0.249 306 V C 2.685 178.470 176.094 -0.515 0.000 1.057 306 V CA 2.357 64.135 62.300 -0.870 0.000 1.032 306 V CB -1.223 29.965 31.823 -1.059 0.000 0.645 306 V HN 0.595 nan 8.190 nan 0.000 0.447 307 A N 0.507 123.167 122.820 -0.266 0.000 1.902 307 A HA -0.230 4.104 4.320 0.022 0.000 0.217 307 A C 2.524 180.008 177.584 -0.167 0.000 1.181 307 A CA 2.616 54.559 52.037 -0.155 0.000 0.623 307 A CB -1.050 17.929 19.000 -0.035 0.000 0.818 307 A HN 0.663 nan 8.150 nan 0.000 0.443 308 T N -1.415 113.036 114.554 -0.171 0.000 2.746 308 T HA -0.093 4.270 4.350 0.022 0.000 0.267 308 T C 1.849 176.434 174.700 -0.191 0.000 1.039 308 T CA 1.497 63.490 62.100 -0.179 0.000 1.142 308 T CB -0.584 68.179 68.868 -0.174 0.000 0.866 308 T HN 0.329 nan 8.240 nan 0.000 0.444 309 I N 0.401 120.858 120.570 -0.189 0.000 2.179 309 I HA -0.086 4.098 4.170 0.022 0.000 0.242 309 I C 2.405 178.446 176.117 -0.127 0.000 1.088 309 I CA 0.905 62.124 61.300 -0.136 0.000 1.357 309 I CB -0.362 37.578 38.000 -0.100 0.000 1.051 309 I HN 0.187 nan 8.210 nan 0.000 0.409 310 L N 0.199 121.309 121.223 -0.188 0.000 2.083 310 L HA -0.166 4.187 4.340 0.022 0.000 0.209 310 L C 2.531 179.340 176.870 -0.101 0.000 1.083 310 L CA 1.701 56.449 54.840 -0.154 0.000 0.752 310 L CB -0.857 41.067 42.059 -0.226 0.000 0.899 310 L HN 0.110 nan 8.230 nan 0.000 0.433 311 S N -1.344 114.288 115.700 -0.114 0.000 2.489 311 S HA -0.044 4.439 4.470 0.022 0.000 0.228 311 S C 0.900 175.449 174.600 -0.085 0.000 0.995 311 S CA 0.185 58.330 58.200 -0.091 0.000 0.934 311 S CB -0.472 62.671 63.200 -0.095 0.000 0.771 311 S HN 0.491 nan 8.310 nan 0.000 0.522 312 N N 0.957 119.600 118.700 -0.095 0.000 2.446 312 N HA 0.179 4.932 4.740 0.022 0.000 0.265 312 N C 0.195 175.675 175.510 -0.049 0.000 0.975 312 N CA -0.229 52.768 53.050 -0.089 0.000 0.928 312 N CB 1.194 39.597 38.487 -0.140 0.000 1.160 312 N HN -0.197 nan 8.380 nan 0.000 0.495 313 D N 3.476 123.856 120.400 -0.033 0.000 2.116 313 D HA -0.189 4.464 4.640 0.022 0.000 0.193 313 D C 1.717 178.012 176.300 -0.009 0.000 0.998 313 D CA 1.832 55.824 54.000 -0.014 0.000 0.836 313 D CB -0.005 40.787 40.800 -0.013 0.000 0.951 313 D HN 0.653 nan 8.370 nan 0.000 0.449 314 A N 0.154 122.962 122.820 -0.020 0.000 1.859 314 A HA -0.171 4.163 4.320 0.022 0.000 0.217 314 A C 2.224 179.806 177.584 -0.004 0.000 1.198 314 A CA 1.558 53.586 52.037 -0.015 0.000 0.629 314 A CB -1.081 17.905 19.000 -0.022 0.000 0.830 314 A HN 0.344 nan 8.150 nan 0.000 0.446 315 L N -0.158 121.056 121.223 -0.015 0.000 2.042 315 L HA -0.169 4.185 4.340 0.022 0.000 0.210 315 L C 2.611 179.519 176.870 0.063 0.000 1.076 315 L CA 2.483 57.325 54.840 0.003 0.000 0.749 315 L CB -0.970 41.063 42.059 -0.044 0.000 0.893 315 L HN 0.645 nan 8.230 nan 0.000 0.432 316 R N -0.170 120.367 120.500 0.061 0.000 2.115 316 R HA -0.037 4.316 4.340 0.022 0.000 0.230 316 R C 2.062 178.450 176.300 0.146 0.000 1.111 316 R CA 1.505 57.694 56.100 0.150 0.000 0.976 316 R CB -0.584 29.776 30.300 0.100 0.000 0.870 316 R HN 0.244 nan 8.270 nan 0.000 0.445 317 A N 0.778 123.632 122.820 0.057 0.000 1.930 317 A HA -0.014 4.320 4.320 0.022 0.000 0.217 317 A C 2.211 179.786 177.584 -0.015 0.000 1.175 317 A CA 1.461 53.503 52.037 0.009 0.000 0.627 317 A CB -0.464 18.532 19.000 -0.006 0.000 0.815 317 A HN 0.394 nan 8.150 nan 0.000 0.443 318 I N -2.543 118.035 120.570 0.013 0.000 2.353 318 I HA -0.202 3.982 4.170 0.022 0.000 0.248 318 I C 2.351 178.456 176.117 -0.021 0.000 1.119 318 I CA 1.136 62.432 61.300 -0.006 0.000 1.417 318 I CB -0.270 37.740 38.000 0.016 0.000 1.078 318 I HN 0.715 nan 8.210 nan 0.000 0.421 319 W N 2.415 123.637 121.300 -0.131 0.000 2.379 319 W HA -0.175 4.498 4.660 0.022 0.000 0.307 319 W C 2.288 178.654 176.519 -0.254 0.000 1.200 319 W CA 1.413 58.633 57.345 -0.209 0.000 1.297 319 W CB -0.271 29.046 29.460 -0.239 0.000 1.140 319 W HN 0.032 nan 8.180 nan 0.000 0.507 320 E N -0.241 119.635 120.200 -0.540 0.000 2.160 320 E HA -0.316 4.048 4.350 0.022 0.000 0.195 320 E C 1.965 178.229 176.600 -0.560 0.000 0.991 320 E CA 1.532 57.484 56.400 -0.748 0.000 0.810 320 E CB -0.226 29.249 29.700 -0.374 0.000 0.742 320 E HN 0.262 nan 8.360 nan 0.000 0.466 321 Q N 1.066 120.648 119.800 -0.363 0.000 2.096 321 Q HA -0.121 4.233 4.340 0.022 0.000 0.197 321 Q C 1.578 177.393 176.000 -0.308 0.000 0.964 321 Q CA 1.353 56.992 55.803 -0.274 0.000 0.838 321 Q CB 0.135 28.774 28.738 -0.166 0.000 0.906 321 Q HN 0.256 nan 8.270 nan 0.000 0.444 322 E N -0.292 119.707 120.200 -0.334 0.000 2.110 322 E HA -0.188 4.175 4.350 0.022 0.000 0.193 322 E C 1.849 178.180 176.600 -0.448 0.000 0.988 322 E CA 1.067 57.282 56.400 -0.309 0.000 0.804 322 E CB -0.176 29.387 29.700 -0.228 0.000 0.745 322 E HN 0.266 nan 8.360 nan 0.000 0.458 323 L N 1.051 121.860 121.223 -0.690 0.000 2.017 323 L HA -0.155 4.198 4.340 0.022 0.000 0.208 323 L C 2.258 178.770 176.870 -0.597 0.000 1.073 323 L CA 1.936 56.306 54.840 -0.784 0.000 0.745 323 L CB -0.769 40.611 42.059 -1.132 0.000 0.894 323 L HN 0.006 nan 8.230 nan 0.000 0.432 324 T N -0.316 113.944 114.554 -0.489 0.000 2.720 324 T HA -0.182 4.181 4.350 0.022 0.000 0.268 324 T C 1.469 176.020 174.700 -0.249 0.000 1.037 324 T CA 1.598 63.498 62.100 -0.334 0.000 1.144 324 T CB -0.406 68.304 68.868 -0.263 0.000 0.864 324 T HN 0.420 nan 8.240 nan 0.000 0.444 325 D N 0.890 121.148 120.400 -0.236 0.000 2.097 325 D HA -0.013 4.641 4.640 0.022 0.000 0.195 325 D C 2.129 178.348 176.300 -0.135 0.000 0.989 325 D CA 0.986 54.898 54.000 -0.148 0.000 0.827 325 D CB -0.349 40.380 40.800 -0.119 0.000 0.966 325 D HN 0.381 nan 8.370 nan 0.000 0.456 326 M N 0.116 119.548 119.600 -0.281 0.000 2.065 326 M HA -0.175 4.318 4.480 0.022 0.000 0.259 326 M C 2.388 178.640 176.300 -0.079 0.000 1.069 326 M CA 1.359 56.432 55.300 -0.377 0.000 1.110 326 M CB -0.213 31.957 32.600 -0.716 0.000 1.328 326 M HN -0.084 nan 8.290 nan 0.000 0.405 327 R N 0.393 120.793 120.500 -0.166 0.000 2.091 327 R HA -0.194 4.159 4.340 0.022 0.000 0.238 327 R C 2.062 178.364 176.300 0.004 0.000 1.136 327 R CA 1.853 57.922 56.100 -0.051 0.000 0.959 327 R CB -0.140 30.056 30.300 -0.175 0.000 0.856 327 R HN 0.476 nan 8.270 nan 0.000 0.437 328 Q N -0.432 119.348 119.800 -0.033 0.000 2.119 328 Q HA -0.156 4.198 4.340 0.022 0.000 0.201 328 Q C 2.216 178.236 176.000 0.033 0.000 0.972 328 Q CA 1.411 57.211 55.803 -0.006 0.000 0.847 328 Q CB -0.104 28.616 28.738 -0.030 0.000 0.903 328 Q HN 0.295 nan 8.270 nan 0.000 0.433 329 R N 0.700 121.241 120.500 0.068 0.000 2.092 329 R HA -0.110 4.243 4.340 0.022 0.000 0.231 329 R C 2.066 178.423 176.300 0.095 0.000 1.119 329 R CA 1.006 57.164 56.100 0.096 0.000 0.970 329 R CB -0.103 30.301 30.300 0.172 0.000 0.864 329 R HN 0.253 nan 8.270 nan 0.000 0.440 330 I N 0.806 121.455 120.570 0.132 0.000 2.179 330 I HA -0.301 3.882 4.170 0.022 0.000 0.242 330 I C 2.306 178.459 176.117 0.058 0.000 1.088 330 I CA 1.456 62.815 61.300 0.097 0.000 1.357 330 I CB -0.333 37.745 38.000 0.131 0.000 1.051 330 I HN 0.301 nan 8.210 nan 0.000 0.409 331 Q N 0.055 119.890 119.800 0.058 0.000 2.226 331 Q HA -0.236 4.117 4.340 0.022 0.000 0.204 331 Q C 2.270 178.293 176.000 0.039 0.000 0.975 331 Q CA 1.217 57.047 55.803 0.046 0.000 0.866 331 Q CB -0.126 28.635 28.738 0.038 0.000 0.915 331 Q HN 0.272 nan 8.270 nan 0.000 0.440 332 R N 0.412 120.934 120.500 0.036 0.000 2.061 332 R HA -0.021 4.333 4.340 0.022 0.000 0.230 332 R C 2.089 178.408 176.300 0.032 0.000 1.140 332 R CA 1.405 57.523 56.100 0.029 0.000 0.940 332 R CB -0.320 29.995 30.300 0.026 0.000 0.839 332 R HN 0.196 nan 8.270 nan 0.000 0.429 333 M N 0.126 119.743 119.600 0.029 0.000 2.202 333 M HA -0.160 4.334 4.480 0.022 0.000 0.262 333 M C 2.150 178.483 176.300 0.055 0.000 1.063 333 M CA 1.483 56.797 55.300 0.024 0.000 1.097 333 M CB -0.841 31.752 32.600 -0.011 0.000 1.382 333 M HN 0.148 nan 8.290 nan 0.000 0.413 334 R N 0.172 120.705 120.500 0.054 0.000 2.070 334 R HA -0.232 4.121 4.340 0.022 0.000 0.233 334 R C 2.262 178.622 176.300 0.100 0.000 1.137 334 R CA 2.082 58.234 56.100 0.086 0.000 0.945 334 R CB -0.210 30.129 30.300 0.064 0.000 0.845 334 R HN 0.314 nan 8.270 nan 0.000 0.430 335 Q N 0.185 120.020 119.800 0.059 0.000 2.167 335 Q HA -0.118 4.236 4.340 0.022 0.000 0.202 335 Q C 1.871 177.888 176.000 0.028 0.000 0.970 335 Q CA 1.145 56.969 55.803 0.035 0.000 0.855 335 Q CB -0.142 28.609 28.738 0.023 0.000 0.911 335 Q HN 0.357 nan 8.270 nan 0.000 0.438 336 L N -0.354 120.898 121.223 0.048 0.000 2.056 336 L HA -0.030 4.323 4.340 0.022 0.000 0.207 336 L C 1.935 178.840 176.870 0.058 0.000 1.078 336 L CA 1.604 56.468 54.840 0.039 0.000 0.749 336 L CB -0.860 41.224 42.059 0.041 0.000 0.901 336 L HN 0.387 nan 8.230 nan 0.000 0.433 337 F N -0.433 119.470 119.950 -0.078 0.000 2.065 337 F HA -0.236 4.305 4.527 0.023 0.000 0.298 337 F C 2.242 177.949 175.800 -0.154 0.000 1.112 337 F CA 2.121 60.052 58.000 -0.116 0.000 1.212 337 F CB -0.900 38.033 39.000 -0.113 0.000 0.975 337 F HN -0.068 nan 8.300 nan 0.000 0.476 338 V N 0.980 120.744 119.914 -0.249 0.000 2.332 338 V HA -0.351 3.782 4.120 0.022 0.000 0.248 338 V C 2.284 178.227 176.094 -0.251 0.000 1.055 338 V CA 2.250 64.342 62.300 -0.347 0.000 1.038 338 V CB -0.897 30.831 31.823 -0.159 0.000 0.651 338 V HN 0.364 nan 8.190 nan 0.000 0.450 339 N N -0.038 118.578 118.700 -0.140 0.000 2.188 339 N HA -0.115 4.639 4.740 0.022 0.000 0.184 339 N C 1.902 177.344 175.510 -0.114 0.000 1.018 339 N CA 1.856 54.847 53.050 -0.098 0.000 0.858 339 N CB -0.557 37.900 38.487 -0.050 0.000 0.989 339 N HN 0.470 nan 8.380 nan 0.000 0.426 340 T N 1.482 115.960 114.554 -0.127 0.000 2.904 340 T HA 0.084 4.447 4.350 0.022 0.000 0.267 340 T C 2.092 176.680 174.700 -0.187 0.000 1.059 340 T CA 0.353 62.383 62.100 -0.116 0.000 1.137 340 T CB -0.066 68.762 68.868 -0.066 0.000 0.879 340 T HN 0.124 nan 8.240 nan 0.000 0.467 341 L N 0.548 121.568 121.223 -0.339 0.000 2.046 341 L HA -0.130 4.224 4.340 0.022 0.000 0.208 341 L C 2.838 179.562 176.870 -0.243 0.000 1.077 341 L CA 1.211 55.793 54.840 -0.430 0.000 0.747 341 L CB -0.374 41.175 42.059 -0.850 0.000 0.896 341 L HN 0.176 nan 8.230 nan 0.000 0.432 342 Q N -0.378 119.315 119.800 -0.179 0.000 2.172 342 Q HA -0.193 4.160 4.340 0.022 0.000 0.200 342 Q C 1.999 177.960 176.000 -0.065 0.000 0.964 342 Q CA 1.215 56.968 55.803 -0.084 0.000 0.855 342 Q CB -0.040 28.663 28.738 -0.058 0.000 0.918 342 Q HN 0.384 nan 8.270 nan 0.000 0.444 343 E N -0.230 119.924 120.200 -0.077 0.000 2.106 343 E HA -0.155 4.209 4.350 0.022 0.000 0.192 343 E C 0.758 177.327 176.600 -0.052 0.000 0.984 343 E CA 0.809 57.176 56.400 -0.054 0.000 0.806 343 E CB 0.208 29.875 29.700 -0.054 0.000 0.750 343 E HN -0.046 nan 8.360 nan 0.000 0.458 344 K N -0.667 119.689 120.400 -0.073 0.000 2.505 344 K HA 0.102 4.435 4.320 0.022 0.000 0.192 344 K C 0.435 177.004 176.600 -0.051 0.000 1.025 344 K CA 0.668 56.916 56.287 -0.064 0.000 1.086 344 K CB 0.473 32.920 32.500 -0.088 0.000 0.840 344 K HN 0.284 nan 8.250 nan 0.000 0.514 345 G N -0.015 108.760 108.800 -0.041 0.000 2.160 345 G HA2 -0.281 3.692 3.960 0.022 0.000 0.244 345 G HA3 -0.281 3.692 3.960 0.022 0.000 0.244 345 G C 0.156 175.053 174.900 -0.006 0.000 1.022 345 G CA -0.005 45.084 45.100 -0.018 0.000 0.741 345 G HN 0.478 nan 8.290 nan 0.000 0.508 346 A N 0.302 123.113 122.820 -0.016 0.000 2.548 346 A HA 0.438 4.772 4.320 0.022 0.000 0.247 346 A C 1.264 178.903 177.584 0.091 0.000 1.067 346 A CA 0.757 52.819 52.037 0.041 0.000 0.757 346 A CB 0.089 19.109 19.000 0.034 0.000 0.996 346 A HN 1.406 nan 8.150 nan 0.000 0.504 347 N N 2.053 120.810 118.700 0.095 0.000 2.523 347 N HA 0.044 4.798 4.740 0.022 0.000 0.208 347 N C 0.082 175.637 175.510 0.075 0.000 1.313 347 N CA 0.316 53.408 53.050 0.071 0.000 0.853 347 N CB -0.207 38.313 38.487 0.054 0.000 1.090 347 N HN 0.732 nan 8.380 nan 0.000 0.463 348 R N -1.116 119.456 120.500 0.119 0.000 2.716 348 R HA 0.244 4.597 4.340 0.022 0.000 0.271 348 R C -2.101 174.240 176.300 0.069 0.000 1.028 348 R CA -0.773 55.348 56.100 0.035 0.000 0.883 348 R CB 1.011 31.249 30.300 -0.102 0.000 1.250 348 R HN 0.080 nan 8.270 nan 0.000 0.465 349 D N 1.028 121.409 120.400 -0.031 0.000 2.280 349 D HA 0.255 4.908 4.640 0.022 0.000 0.243 349 D C -0.593 175.666 176.300 -0.070 0.000 1.129 349 D CA -0.129 53.888 54.000 0.028 0.000 0.848 349 D CB 0.615 41.443 40.800 0.046 0.000 1.107 349 D HN 0.399 nan 8.370 nan 0.000 0.471 350 F N 1.765 121.640 119.950 -0.125 0.000 2.654 350 F HA 0.165 4.706 4.527 0.022 0.000 0.303 350 F C 2.142 177.583 175.800 -0.599 0.000 1.099 350 F CA -0.298 57.451 58.000 -0.419 0.000 1.270 350 F CB 0.284 39.013 39.000 -0.453 0.000 1.024 350 F HN 0.319 nan 8.300 nan 0.000 0.548 351 S N 0.915 116.550 115.700 -0.109 0.000 2.380 351 S HA -0.297 4.187 4.470 0.022 0.000 0.229 351 S C 2.022 176.571 174.600 -0.085 0.000 1.043 351 S CA 2.164 60.325 58.200 -0.065 0.000 1.038 351 S CB -0.795 62.428 63.200 0.038 0.000 0.872 351 S HN 0.637 nan 8.310 nan 0.000 0.456 352 F N 1.501 121.461 119.950 0.016 0.000 2.225 352 F HA -0.121 4.419 4.527 0.022 0.000 0.302 352 F C 1.741 177.592 175.800 0.086 0.000 1.068 352 F CA 0.657 58.676 58.000 0.032 0.000 1.327 352 F CB -1.042 37.902 39.000 -0.094 0.000 1.043 352 F HN 0.124 nan 8.300 nan 0.000 0.506 353 I N 0.909 121.168 120.570 -0.518 0.000 2.264 353 I HA -0.300 3.884 4.170 0.022 0.000 0.248 353 I C 2.429 178.564 176.117 0.029 0.000 1.111 353 I CA 1.564 62.757 61.300 -0.179 0.000 1.382 353 I CB -0.526 37.351 38.000 -0.205 0.000 1.060 353 I HN 0.207 nan 8.210 nan 0.000 0.418 354 I N 0.564 121.139 120.570 0.010 0.000 2.454 354 I HA -0.244 3.939 4.170 0.022 0.000 0.254 354 I C 2.076 178.245 176.117 0.088 0.000 1.156 354 I CA 0.993 62.323 61.300 0.051 0.000 1.433 354 I CB -0.329 37.691 38.000 0.034 0.000 1.082 354 I HN 0.156 nan 8.210 nan 0.000 0.432 355 K N 0.809 121.282 120.400 0.123 0.000 2.432 355 K HA 0.063 4.397 4.320 0.022 0.000 0.196 355 K C 0.517 177.218 176.600 0.168 0.000 1.038 355 K CA 0.451 56.828 56.287 0.149 0.000 0.986 355 K CB -0.239 32.373 32.500 0.186 0.000 0.782 355 K HN 0.470 nan 8.250 nan 0.000 0.485 356 Q N 0.988 120.897 119.800 0.181 0.000 2.259 356 Q HA 0.191 4.544 4.340 0.022 0.000 0.249 356 Q C -0.509 175.574 176.000 0.140 0.000 0.914 356 Q CA -0.142 55.772 55.803 0.185 0.000 0.904 356 Q CB 0.954 29.825 28.738 0.221 0.000 1.213 356 Q HN 0.168 nan 8.270 nan 0.000 0.428 357 N N 0.020 118.803 118.700 0.138 0.000 2.472 357 N HA 0.631 5.384 4.740 0.022 0.000 0.289 357 N C -0.106 175.440 175.510 0.059 0.000 1.156 357 N CA -0.132 52.987 53.050 0.115 0.000 0.940 357 N CB 1.401 39.979 38.487 0.152 0.000 1.200 357 N HN 0.749 nan 8.380 nan 0.000 0.511 358 G N 0.260 109.079 108.800 0.032 0.000 2.615 358 G HA2 -0.279 3.695 3.960 0.022 0.000 0.218 358 G HA3 -0.279 3.695 3.960 0.022 0.000 0.218 358 G C 0.445 175.206 174.900 -0.230 0.000 1.339 358 G CA -0.271 44.757 45.100 -0.120 0.000 0.884 358 G HN 0.486 nan 8.290 nan 0.000 0.559 359 M N -0.369 118.888 119.600 -0.573 0.000 2.419 359 M HA 0.265 4.759 4.480 0.022 0.000 0.264 359 M C 0.240 176.171 176.300 -0.616 0.000 1.082 359 M CA 1.189 56.070 55.300 -0.698 0.000 1.119 359 M CB 0.021 31.934 32.600 -1.145 0.000 1.398 359 M HN 0.251 nan 8.290 nan 0.000 0.453 360 F N -0.232 119.638 119.950 -0.134 0.000 2.522 360 F HA 0.409 4.949 4.527 0.023 0.000 0.324 360 F C 0.398 176.212 175.800 0.023 0.000 1.077 360 F CA -1.522 56.444 58.000 -0.057 0.000 0.944 360 F CB 1.231 40.200 39.000 -0.052 0.000 1.175 360 F HN -0.185 nan 8.300 nan 0.000 0.468 361 S N 1.458 117.330 115.700 0.287 0.000 2.473 361 S HA 0.571 5.054 4.470 0.022 0.000 0.307 361 S C -1.105 173.734 174.600 0.399 0.000 1.094 361 S CA -0.569 57.808 58.200 0.295 0.000 1.070 361 S CB 0.938 64.276 63.200 0.230 0.000 1.019 361 S HN 0.420 nan 8.310 nan 0.000 0.480 362 F N 4.290 124.366 119.950 0.211 0.000 2.464 362 F HA 0.303 4.843 4.527 0.022 0.000 0.353 362 F C 1.752 177.760 175.800 0.346 0.000 1.191 362 F CA -1.261 56.840 58.000 0.168 0.000 1.147 362 F CB 0.299 39.303 39.000 0.008 0.000 1.294 362 F HN 0.892 nan 8.300 nan 0.000 0.583 363 S N 2.730 118.611 115.700 0.301 0.000 2.383 363 S HA 0.068 4.552 4.470 0.022 0.000 0.227 363 S C 1.837 176.644 174.600 0.345 0.000 1.026 363 S CA 0.902 59.342 58.200 0.401 0.000 0.981 363 S CB -0.511 62.890 63.200 0.335 0.000 0.818 363 S HN 1.290 nan 8.310 nan 0.000 0.472 364 G N 0.300 109.123 108.800 0.037 0.000 2.195 364 G HA2 -0.156 3.818 3.960 0.022 0.000 0.224 364 G HA3 -0.156 3.818 3.960 0.022 0.000 0.224 364 G C -0.068 174.833 174.900 0.002 0.000 0.990 364 G CA -0.024 45.074 45.100 -0.004 0.000 0.639 364 G HN 0.428 nan 8.290 nan 0.000 0.514 365 L N 2.406 123.655 121.223 0.044 0.000 2.506 365 L HA 0.401 4.754 4.340 0.022 0.000 0.281 365 L C 1.724 178.587 176.870 -0.011 0.000 1.228 365 L CA 1.170 56.040 54.840 0.050 0.000 0.850 365 L CB 0.158 42.260 42.059 0.071 0.000 1.110 365 L HN 0.569 nan 8.230 nan 0.000 0.496 366 T N -0.424 114.134 114.554 0.007 0.000 2.874 366 T HA 0.242 4.605 4.350 0.022 0.000 0.281 366 T C 1.202 175.901 174.700 -0.002 0.000 0.994 366 T CA -0.684 61.413 62.100 -0.005 0.000 1.015 366 T CB 1.202 70.074 68.868 0.007 0.000 1.028 366 T HN 0.525 nan 8.240 nan 0.000 0.523 367 K N 0.304 120.701 120.400 -0.005 0.000 2.074 367 K HA -0.183 4.151 4.320 0.022 0.000 0.209 367 K C 2.210 178.811 176.600 0.002 0.000 1.048 367 K CA 1.942 58.228 56.287 -0.002 0.000 0.926 367 K CB -0.168 32.331 32.500 -0.001 0.000 0.713 367 K HN 0.693 nan 8.250 nan 0.000 0.444 368 E N 0.275 120.480 120.200 0.007 0.000 2.077 368 E HA -0.184 4.180 4.350 0.022 0.000 0.193 368 E C 2.032 178.646 176.600 0.023 0.000 0.989 368 E CA 1.288 57.695 56.400 0.012 0.000 0.800 368 E CB 0.019 29.727 29.700 0.014 0.000 0.746 368 E HN 0.305 nan 8.360 nan 0.000 0.452 369 Q N -0.071 119.747 119.800 0.030 0.000 2.050 369 Q HA -0.142 4.211 4.340 0.022 0.000 0.202 369 Q C 2.415 178.442 176.000 0.045 0.000 0.980 369 Q CA 1.809 57.641 55.803 0.048 0.000 0.840 369 Q CB -0.247 28.524 28.738 0.054 0.000 0.898 369 Q HN 0.407 nan 8.270 nan 0.000 0.424 370 V N -1.273 118.657 119.914 0.026 0.000 2.626 370 V HA -0.172 3.962 4.120 0.022 0.000 0.252 370 V C 1.939 178.027 176.094 -0.010 0.000 1.067 370 V CA 1.211 63.519 62.300 0.012 0.000 1.081 370 V CB -0.407 31.418 31.823 0.003 0.000 0.686 370 V HN 0.219 nan 8.190 nan 0.000 0.468 371 L N 0.762 121.981 121.223 -0.007 0.000 2.072 371 L HA 0.075 4.428 4.340 0.022 0.000 0.205 371 L C 2.749 179.612 176.870 -0.013 0.000 1.079 371 L CA 2.427 57.252 54.840 -0.024 0.000 0.752 371 L CB -0.857 41.194 42.059 -0.014 0.000 0.906 371 L HN 0.481 nan 8.230 nan 0.000 0.436 372 R N -0.794 119.722 120.500 0.026 0.000 2.075 372 R HA -0.111 4.243 4.340 0.022 0.000 0.232 372 R C 2.250 178.629 176.300 0.132 0.000 1.126 372 R CA 1.503 57.639 56.100 0.059 0.000 0.963 372 R CB -0.610 29.742 30.300 0.088 0.000 0.858 372 R HN 0.353 nan 8.270 nan 0.000 0.435 373 L N 0.637 121.956 121.223 0.161 0.000 2.043 373 L HA -0.225 4.129 4.340 0.022 0.000 0.212 373 L C 2.946 179.921 176.870 0.175 0.000 1.075 373 L CA 1.863 56.852 54.840 0.247 0.000 0.752 373 L CB -0.443 41.682 42.059 0.110 0.000 0.891 373 L HN 0.324 nan 8.230 nan 0.000 0.432 374 R N 0.239 120.731 120.500 -0.013 0.000 2.064 374 R HA -0.189 4.164 4.340 0.022 0.000 0.228 374 R C 2.121 178.362 176.300 -0.099 0.000 1.144 374 R CA 1.875 57.860 56.100 -0.192 0.000 0.932 374 R CB -0.245 29.802 30.300 -0.421 0.000 0.833 374 R HN 0.328 nan 8.270 nan 0.000 0.429 375 E N -0.135 120.016 120.200 -0.081 0.000 2.110 375 E HA -0.209 4.154 4.350 0.022 0.000 0.193 375 E C 1.832 178.374 176.600 -0.096 0.000 0.988 375 E CA 1.651 58.010 56.400 -0.069 0.000 0.804 375 E CB 0.115 29.779 29.700 -0.061 0.000 0.745 375 E HN 0.401 nan 8.360 nan 0.000 0.458 376 E N -1.335 118.782 120.200 -0.138 0.000 2.166 376 E HA -0.003 4.360 4.350 0.022 0.000 0.192 376 E C 0.696 176.956 176.600 -0.566 0.000 0.967 376 E CA 0.561 56.719 56.400 -0.404 0.000 0.840 376 E CB 0.300 29.643 29.700 -0.596 0.000 0.795 376 E HN 0.174 nan 8.360 nan 0.000 0.470 377 F N -1.568 118.390 119.950 0.013 0.000 2.706 377 F HA 0.369 4.910 4.527 0.022 0.000 0.313 377 F C 1.236 177.076 175.800 0.066 0.000 1.096 377 F CA 0.210 58.230 58.000 0.034 0.000 1.219 377 F CB 1.416 40.438 39.000 0.036 0.000 1.051 377 F HN 0.075 nan 8.300 nan 0.000 0.568 378 G N 1.405 110.338 108.800 0.222 0.000 2.160 378 G HA2 -0.250 3.723 3.960 0.022 0.000 0.251 378 G HA3 -0.250 3.723 3.960 0.022 0.000 0.251 378 G C -0.201 174.963 174.900 0.440 0.000 1.008 378 G CA 0.169 45.447 45.100 0.296 0.000 0.724 378 G HN 0.169 nan 8.290 nan 0.000 0.514 379 V N 0.971 121.081 119.914 0.327 0.000 2.364 379 V HA 0.509 4.642 4.120 0.022 0.000 0.272 379 V C -0.140 176.110 176.094 0.260 0.000 1.036 379 V CA -0.887 61.603 62.300 0.317 0.000 0.880 379 V CB 0.801 32.728 31.823 0.174 0.000 0.991 379 V HN 0.231 nan 8.190 nan 0.000 0.460 380 Y N 3.530 123.932 120.300 0.170 0.000 2.335 380 Y HA 0.744 5.308 4.550 0.023 0.000 0.339 380 Y C 0.451 176.384 175.900 0.055 0.000 0.987 380 Y CA -0.529 57.651 58.100 0.135 0.000 1.140 380 Y CB 1.611 40.195 38.460 0.207 0.000 1.173 380 Y HN 0.735 nan 8.280 nan 0.000 0.486 381 A N 2.062 124.946 122.820 0.108 0.000 2.566 381 A HA 0.793 5.126 4.320 0.022 0.000 0.292 381 A C -1.364 176.248 177.584 0.047 0.000 1.112 381 A CA -0.824 51.255 52.037 0.070 0.000 0.707 381 A CB 0.832 19.861 19.000 0.048 0.000 1.302 381 A HN 0.399 nan 8.150 nan 0.000 0.409 382 V N 1.486 121.422 119.914 0.037 0.000 2.775 382 V HA 0.359 4.493 4.120 0.022 0.000 0.299 382 V C 1.879 177.984 176.094 0.018 0.000 1.062 382 V CA 0.611 62.926 62.300 0.024 0.000 1.063 382 V CB 0.989 32.815 31.823 0.004 0.000 0.994 382 V HN 1.394 nan 8.190 nan 0.000 0.483 383 A N 3.603 126.430 122.820 0.012 0.000 1.971 383 A HA -0.199 4.134 4.320 0.022 0.000 0.222 383 A C 2.209 179.797 177.584 0.007 0.000 1.182 383 A CA 2.465 54.505 52.037 0.005 0.000 0.649 383 A CB -0.777 18.225 19.000 0.004 0.000 0.818 383 A HN 1.102 nan 8.150 nan 0.000 0.458 384 S N -1.849 113.869 115.700 0.030 0.000 2.547 384 S HA 0.315 4.798 4.470 0.022 0.000 0.235 384 S C 1.462 176.017 174.600 -0.075 0.000 0.980 384 S CA 1.084 59.311 58.200 0.045 0.000 0.941 384 S CB -0.497 62.818 63.200 0.192 0.000 0.763 384 S HN 2.020 nan 8.310 nan 0.000 0.532 385 G N 1.320 110.094 108.800 -0.044 0.000 2.141 385 G HA2 -0.277 3.696 3.960 0.022 0.000 0.231 385 G HA3 -0.277 3.696 3.960 0.022 0.000 0.231 385 G C 0.021 174.921 174.900 -0.000 0.000 0.984 385 G CA -0.058 44.997 45.100 -0.074 0.000 0.660 385 G HN 0.664 nan 8.290 nan 0.000 0.525 386 R N 0.208 120.762 120.500 0.090 0.000 2.347 386 R HA 0.546 4.899 4.340 0.022 0.000 0.304 386 R C -0.562 175.796 176.300 0.095 0.000 1.072 386 R CA -0.230 55.963 56.100 0.156 0.000 0.980 386 R CB 0.925 31.247 30.300 0.038 0.000 0.986 386 R HN 0.107 nan 8.270 nan 0.000 0.448 387 V N 4.541 124.539 119.914 0.139 0.000 2.628 387 V HA 0.153 4.287 4.120 0.022 0.000 0.306 387 V C -0.541 175.652 176.094 0.165 0.000 1.045 387 V CA -0.965 61.386 62.300 0.086 0.000 0.905 387 V CB 1.947 33.760 31.823 -0.016 0.000 0.997 387 V HN 0.762 nan 8.190 nan 0.000 0.436 388 N N 4.497 123.276 118.700 0.133 0.000 2.482 388 N HA 0.132 4.885 4.740 0.022 0.000 0.242 388 N C 0.728 176.185 175.510 -0.087 0.000 1.100 388 N CA 0.111 53.226 53.050 0.108 0.000 0.946 388 N CB 1.363 39.894 38.487 0.074 0.000 1.227 388 N HN 0.396 nan 8.380 nan 0.000 0.508 389 V N 3.234 123.075 119.914 -0.122 0.000 2.407 389 V HA -0.215 3.918 4.120 0.022 0.000 0.248 389 V C 2.173 178.174 176.094 -0.154 0.000 1.055 389 V CA 2.087 64.282 62.300 -0.176 0.000 1.049 389 V CB -0.923 30.826 31.823 -0.123 0.000 0.662 389 V HN 0.759 nan 8.190 nan 0.000 0.455 390 A N 0.292 123.019 122.820 -0.156 0.000 2.225 390 A HA 0.031 4.365 4.320 0.022 0.000 0.215 390 A C 2.078 179.533 177.584 -0.214 0.000 1.164 390 A CA 1.401 53.354 52.037 -0.141 0.000 0.710 390 A CB -0.612 18.336 19.000 -0.088 0.000 0.780 390 A HN 0.570 nan 8.150 nan 0.000 0.473 391 G N -1.462 107.227 108.800 -0.185 0.000 3.126 391 G HA2 0.391 4.364 3.960 0.022 0.000 0.224 391 G HA3 0.391 4.364 3.960 0.022 0.000 0.224 391 G C 0.414 175.218 174.900 -0.161 0.000 1.142 391 G CA -0.388 44.601 45.100 -0.185 0.000 0.759 391 G HN 0.420 nan 8.290 nan 0.000 0.550 392 M N 1.830 121.335 119.600 -0.159 0.000 2.277 392 M HA 0.438 4.932 4.480 0.022 0.000 0.350 392 M C 0.154 176.393 176.300 -0.101 0.000 1.180 392 M CA -0.117 55.105 55.300 -0.130 0.000 1.103 392 M CB 1.807 34.314 32.600 -0.155 0.000 1.577 392 M HN 0.116 nan 8.290 nan 0.000 0.459 393 T N -0.977 113.536 114.554 -0.069 0.000 2.896 393 T HA 0.475 4.838 4.350 0.022 0.000 0.297 393 T C -2.591 172.093 174.700 -0.026 0.000 1.108 393 T CA -1.770 60.298 62.100 -0.052 0.000 1.004 393 T CB 1.794 70.629 68.868 -0.055 0.000 1.159 393 T HN 0.275 nan 8.240 nan 0.000 0.499 394 P HA -0.022 nan 4.420 nan 0.000 0.221 394 P C 0.701 177.999 177.300 -0.004 0.000 1.145 394 P CA 0.901 63.997 63.100 -0.005 0.000 0.795 394 P CB 0.069 31.766 31.700 -0.004 0.000 0.775 395 D N -1.251 119.144 120.400 -0.007 0.000 2.194 395 D HA -0.074 4.579 4.640 0.022 0.000 0.204 395 D C 1.356 177.657 176.300 0.002 0.000 0.964 395 D CA 1.019 55.018 54.000 -0.003 0.000 0.846 395 D CB -0.464 40.334 40.800 -0.004 0.000 0.962 395 D HN 0.316 nan 8.370 nan 0.000 0.490 396 N N -0.387 118.312 118.700 -0.002 0.000 2.205 396 N HA 0.003 4.757 4.740 0.022 0.000 0.201 396 N C 1.402 176.917 175.510 0.008 0.000 1.128 396 N CA 0.032 53.085 53.050 0.006 0.000 0.867 396 N CB -0.259 38.231 38.487 0.006 0.000 0.996 396 N HN -0.042 nan 8.380 nan 0.000 0.503 397 M N 0.910 120.515 119.600 0.008 0.000 2.149 397 M HA 0.067 4.560 4.480 0.022 0.000 0.261 397 M C 1.820 178.136 176.300 0.027 0.000 1.064 397 M CA 1.567 56.883 55.300 0.027 0.000 1.102 397 M CB -0.374 32.245 32.600 0.032 0.000 1.369 397 M HN 0.301 nan 8.290 nan 0.000 0.408 398 A N -0.182 122.645 122.820 0.011 0.000 1.872 398 A HA 0.024 4.357 4.320 0.022 0.000 0.214 398 A C -0.201 177.380 177.584 -0.004 0.000 1.187 398 A CA 1.177 53.213 52.037 -0.001 0.000 0.614 398 A CB -2.064 16.935 19.000 -0.001 0.000 0.826 398 A HN 0.443 nan 8.150 nan 0.000 0.442 399 P HA -0.150 nan 4.420 nan 0.000 0.215 399 P C 1.806 179.098 177.300 -0.013 0.000 1.153 399 P CA 0.824 63.931 63.100 0.011 0.000 0.853 399 P CB -0.103 31.618 31.700 0.035 0.000 0.788 400 L N -0.721 120.504 121.223 0.002 0.000 1.970 400 L HA -0.240 4.113 4.340 0.022 0.000 0.212 400 L C 1.994 178.851 176.870 -0.021 0.000 1.071 400 L CA 2.026 56.867 54.840 0.001 0.000 0.751 400 L CB -0.968 41.105 42.059 0.023 0.000 0.889 400 L HN 0.024 nan 8.230 nan 0.000 0.432 401 C N 0.162 119.462 119.300 0.000 0.000 2.422 401 C HA -0.141 4.333 4.460 0.022 0.000 0.279 401 C C 2.500 177.417 174.990 -0.121 0.000 1.305 401 C CA 0.973 59.959 59.018 -0.053 0.000 1.757 401 C CB -1.032 26.664 27.740 -0.073 0.000 1.962 401 C HN 0.588 nan 8.230 nan 0.000 0.499 402 E N 0.775 120.904 120.200 -0.117 0.000 2.107 402 E HA -0.078 4.286 4.350 0.022 0.000 0.191 402 E C 2.377 178.797 176.600 -0.300 0.000 0.982 402 E CA 1.070 57.384 56.400 -0.145 0.000 0.809 402 E CB -0.200 29.451 29.700 -0.082 0.000 0.756 402 E HN 0.656 nan 8.360 nan 0.000 0.459 403 A N 1.333 123.902 122.820 -0.417 0.000 1.883 403 A HA -0.201 4.132 4.320 0.022 0.000 0.217 403 A C 2.177 179.379 177.584 -0.636 0.000 1.186 403 A CA 1.184 52.663 52.037 -0.930 0.000 0.624 403 A CB -0.649 17.982 19.000 -0.616 0.000 0.822 403 A HN 0.145 nan 8.150 nan 0.000 0.444 404 I N -0.390 120.004 120.570 -0.293 0.000 2.179 404 I HA -0.231 3.953 4.170 0.022 0.000 0.242 404 I C 2.370 178.414 176.117 -0.122 0.000 1.088 404 I CA 1.324 62.535 61.300 -0.148 0.000 1.357 404 I CB -0.386 37.570 38.000 -0.074 0.000 1.051 404 I HN 0.163 nan 8.210 nan 0.000 0.409 405 V N 1.097 120.926 119.914 -0.141 0.000 2.343 405 V HA -0.199 3.934 4.120 0.022 0.000 0.247 405 V C 1.573 177.638 176.094 -0.050 0.000 1.051 405 V CA 1.402 63.655 62.300 -0.078 0.000 1.036 405 V CB -1.067 30.707 31.823 -0.081 0.000 0.654 405 V HN 0.439 nan 8.190 nan 0.000 0.451 409 L N 0.000 121.261 121.223 0.063 0.000 2.949 409 L HA 0.000 4.353 4.340 0.022 0.000 0.249 409 L CA 0.000 54.888 54.840 0.079 0.000 0.813 409 L CB 0.000 42.122 42.059 0.105 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502