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 1fa9_1_A DATA FIRST_RESID 5 DATA SEQUENCE TDQEKRRQIX IRGIVGVENV AELKKSFNRH LHFTLVKDRN VATTRDYYFA DATA SEQUENCE LAHTVRDHLV GRWIRTQQHY YDKCPKRVYY LSLEFYMGRT LQNTMINLGL DATA SEQUENCE QNACDEAIYQ LGLDIEELEE IEEDAGLGNG GLGRLAACFL DSMATLGLAA DATA SEQUENCE YGYGIRYEYG IFNQKIRDGW QVEEADDWLR YGNPWEKSRP EFMLPVHFYG DATA SEQUENCE KVEHTNTGTK WIDTQVVLAL PYDTPVPGYM NNTVNTMRLW SARAPNDFNL DATA SEQUENCE RDFNVGDYIQ AVLDRNLAEN ISRVLYPNDN FFEGKELRLK QEYFVVAATL DATA SEQUENCE QDIIRRFKAS KFGSTRGAGT VFDAFPDQVA IQLNDTHPAL AIPELMRIFV DATA SEQUENCE DIEKLPWSKA WELTQKTFAY TNHTVLPEAL ERWPVDLVEK LLPRHLEIIY DATA SEQUENCE EINQKHLDRI VALFPKDVDR LRRMSLIEEE GSKRINMAHL CIVGSHAVNG DATA SEQUENCE VAKIHSDIVK TKVFKDFSEL EPDKFQNKTN GITPRRWLLL CNPGLAELIA DATA SEQUENCE EKIGEDYVKD LSQLTKLHSF LGDDVFLREL AKVKQENKLK FSQFLETEYK DATA SEQUENCE VKINPSSMFD VQVKRIHEYK RQLLNCLHVI TMYNRIKKDP KKLFVPRTVI DATA SEQUENCE IGGKAAPGYH MAKMIIKLIT SVADVVNNDP MVGSKLKVIF LENYRVSLAE DATA SEQUENCE KVIPATDLSE QISTAGTEAS GTGNMKFMLN GALTIGTMDG ANVEMAEEAG DATA SEQUENCE EENLFIFGMR IDDVAALDKK GYEAKEYYEA LPELKLVIDQ IDNGFFSPKQ DATA SEQUENCE PDLFKDIINM LFYHDRFKVF ADYEAYVKCQ DKVSQLYMNP KAWNTMVLKN DATA SEQUENCE IAASGKFSSD RTIKEYAQNI WNVEPSDLKI SLSN 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 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.695 174.700 -0.008 0.000 1.109 5 T CA 0.000 62.096 62.100 -0.007 0.000 1.349 5 T CB 0.000 68.865 68.868 -0.005 0.000 0.612 6 D N -0.509 119.886 120.400 -0.009 0.000 2.494 6 D HA 0.540 5.180 4.640 -0.000 0.000 0.102 6 D C 0.200 176.495 176.300 -0.010 0.000 1.379 6 D CA 0.242 54.236 54.000 -0.010 0.000 1.455 6 D CB -0.118 40.677 40.800 -0.010 0.000 2.220 6 D HN 0.533 nan 8.370 nan 0.000 0.198 7 Q N -0.507 119.288 119.800 -0.008 0.000 0.282 7 Q HA -0.172 4.168 4.340 -0.000 0.000 0.266 7 Q C -0.903 175.092 176.000 -0.008 0.000 1.091 7 Q CA 1.081 56.879 55.803 -0.008 0.000 0.231 7 Q CB -0.901 27.832 28.738 -0.007 0.000 5.630 7 Q HN 0.488 nan 8.270 nan 0.000 0.292 8 E N -0.157 120.039 120.200 -0.007 0.000 2.474 8 E HA 0.078 4.428 4.350 -0.000 0.000 0.195 8 E C 0.644 177.239 176.600 -0.008 0.000 1.039 8 E CA 0.281 56.677 56.400 -0.007 0.000 0.881 8 E CB 0.197 29.894 29.700 -0.006 0.000 0.970 8 E HN 0.329 nan 8.360 nan 0.000 0.486 9 K N 0.763 121.158 120.400 -0.008 0.000 2.167 9 K HA 0.000 4.320 4.320 -0.000 0.000 0.203 9 K C 2.021 178.615 176.600 -0.010 0.000 1.052 9 K CA 0.475 56.757 56.287 -0.009 0.000 0.956 9 K CB 0.123 32.617 32.500 -0.009 0.000 0.735 9 K HN -0.124 nan 8.250 nan 0.000 0.451 10 R N 0.907 121.401 120.500 -0.011 0.000 2.328 10 R HA -0.017 4.322 4.340 -0.000 0.000 0.207 10 R C 1.381 177.673 176.300 -0.014 0.000 1.056 10 R CA 0.757 56.849 56.100 -0.013 0.000 1.016 10 R CB 0.122 30.414 30.300 -0.014 0.000 0.872 10 R HN 0.071 nan 8.270 nan 0.000 0.471 11 R N -0.459 120.034 120.500 -0.012 0.000 2.316 11 R HA -0.024 4.316 4.340 -0.000 0.000 0.202 11 R C 1.518 177.811 176.300 -0.011 0.000 1.029 11 R CA 0.355 56.447 56.100 -0.012 0.000 1.018 11 R CB 0.145 30.439 30.300 -0.010 0.000 0.888 11 R HN 0.206 nan 8.270 nan 0.000 0.471 12 Q N 0.373 120.166 119.800 -0.011 0.000 2.369 12 Q HA 0.055 4.395 4.340 -0.000 0.000 0.206 12 Q C 1.069 177.063 176.000 -0.011 0.000 0.963 12 Q CA 0.772 56.569 55.803 -0.010 0.000 0.894 12 Q CB 0.199 28.930 28.738 -0.010 0.000 0.965 12 Q HN 0.365 nan 8.270 nan 0.000 0.475 16 R N 2.415 122.914 120.500 -0.002 0.000 2.191 16 R HA -0.211 4.129 4.340 -0.000 0.000 0.248 16 R C 1.985 178.285 176.300 0.000 0.000 1.127 16 R CA 3.237 59.336 56.100 -0.002 0.000 0.943 16 R CB -0.637 29.661 30.300 -0.004 0.000 0.891 16 R HN 0.613 nan 8.270 nan 0.000 0.439 17 G N 0.947 109.747 108.800 0.000 0.000 2.396 17 G HA2 -0.107 3.852 3.960 -0.000 0.000 0.214 17 G HA3 -0.107 3.852 3.960 -0.000 0.000 0.214 17 G C 1.372 176.275 174.900 0.004 0.000 1.166 17 G CA 0.600 45.702 45.100 0.003 0.000 0.793 17 G HN 0.548 nan 8.290 nan 0.000 0.533 18 I N -0.678 119.892 120.570 0.000 0.000 3.616 18 I HA 0.444 4.614 4.170 -0.000 0.000 0.306 18 I C -0.289 175.821 176.117 -0.010 0.000 1.232 18 I CA -0.170 61.127 61.300 -0.005 0.000 1.182 18 I CB -0.060 37.935 38.000 -0.009 0.000 1.007 18 I HN -0.078 nan 8.210 nan 0.000 0.479 19 V N 1.331 121.246 119.914 0.003 0.000 2.668 19 V HA 0.770 4.890 4.120 -0.000 0.000 0.304 19 V C 0.500 176.614 176.094 0.033 0.000 1.071 19 V CA 0.526 62.834 62.300 0.012 0.000 0.894 19 V CB 1.362 33.192 31.823 0.012 0.000 1.008 19 V HN 0.564 nan 8.190 nan 0.000 0.425 20 G N 4.641 113.483 108.800 0.068 0.000 2.697 20 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.200 20 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.200 20 G C 0.237 175.189 174.900 0.087 0.000 1.106 20 G CA 0.177 45.318 45.100 0.068 0.000 0.748 20 G HN 1.935 nan 8.290 nan 0.000 0.503 21 V N 1.315 121.280 119.914 0.085 0.000 2.400 21 V HA 0.548 4.668 4.120 -0.000 0.000 0.263 21 V C 0.506 176.695 176.094 0.159 0.000 1.026 21 V CA 0.805 63.158 62.300 0.088 0.000 1.077 21 V CB 0.269 32.131 31.823 0.065 0.000 1.054 21 V HN 0.710 nan 8.190 nan 0.000 0.477 22 E N 3.095 123.362 120.200 0.112 0.000 3.167 22 E HA 0.201 4.551 4.350 -0.000 0.000 0.210 22 E C 0.108 176.716 176.600 0.013 0.000 1.004 22 E CA -0.498 55.952 56.400 0.082 0.000 1.256 22 E CB 0.001 29.629 29.700 -0.120 0.000 1.193 22 E HN 0.933 nan 8.360 nan 0.000 0.448 23 N N -0.744 117.980 118.700 0.040 0.000 2.327 23 N HA 0.087 4.826 4.740 -0.000 0.000 0.257 23 N C 0.913 176.441 175.510 0.030 0.000 1.281 23 N CA -0.769 52.294 53.050 0.021 0.000 0.942 23 N CB 1.147 39.648 38.487 0.023 0.000 1.199 23 N HN -0.135 nan 8.380 nan 0.000 0.532 24 V N -0.210 119.715 119.914 0.019 0.000 2.427 24 V HA -0.211 3.908 4.120 -0.000 0.000 0.248 24 V C 2.458 178.572 176.094 0.034 0.000 1.051 24 V CA 2.188 64.501 62.300 0.021 0.000 1.048 24 V CB -1.389 30.440 31.823 0.010 0.000 0.666 24 V HN 0.875 nan 8.190 nan 0.000 0.456 25 A N -0.400 122.441 122.820 0.034 0.000 1.877 25 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 25 A C 2.196 179.814 177.584 0.057 0.000 1.186 25 A CA 1.665 53.725 52.037 0.039 0.000 0.620 25 A CB -0.410 18.609 19.000 0.032 0.000 0.822 25 A HN 0.489 nan 8.150 nan 0.000 0.443 26 E N -0.014 120.227 120.200 0.069 0.000 2.150 26 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 26 E C 1.974 178.651 176.600 0.128 0.000 0.985 26 E CA 0.629 57.084 56.400 0.092 0.000 0.814 26 E CB -0.353 29.406 29.700 0.100 0.000 0.752 26 E HN 0.681 nan 8.360 nan 0.000 0.466 27 L N 0.524 121.827 121.223 0.133 0.000 2.217 27 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 27 L C 2.316 179.283 176.870 0.162 0.000 1.107 27 L CA 0.930 55.870 54.840 0.166 0.000 0.783 27 L CB -0.160 41.970 42.059 0.119 0.000 0.919 27 L HN 0.026 nan 8.230 nan 0.000 0.442 28 K N 0.110 120.577 120.400 0.111 0.000 2.116 28 K HA -0.154 4.165 4.320 -0.000 0.000 0.203 28 K C 2.084 178.776 176.600 0.154 0.000 1.052 28 K CA 0.778 57.128 56.287 0.104 0.000 0.952 28 K CB 0.059 32.585 32.500 0.042 0.000 0.729 28 K HN 0.043 nan 8.250 nan 0.000 0.446 29 K N 1.187 121.658 120.400 0.117 0.000 2.057 29 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 29 K C 2.084 178.747 176.600 0.104 0.000 1.049 29 K CA 1.537 57.881 56.287 0.096 0.000 0.931 29 K CB 0.034 32.577 32.500 0.071 0.000 0.714 29 K HN -0.083 nan 8.250 nan 0.000 0.440 30 S N 0.055 115.841 115.700 0.143 0.000 2.368 30 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 30 S C 1.550 176.293 174.600 0.238 0.000 1.029 30 S CA 1.133 59.433 58.200 0.167 0.000 0.988 30 S CB -0.442 62.886 63.200 0.213 0.000 0.838 30 S HN 0.399 nan 8.310 nan 0.000 0.462 31 F N 2.786 122.806 119.950 0.116 0.000 2.095 31 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 31 F C 1.814 177.643 175.800 0.048 0.000 1.104 31 F CA 1.561 59.621 58.000 0.099 0.000 1.232 31 F CB -0.605 38.433 39.000 0.063 0.000 0.987 31 F HN 0.188 nan 8.300 nan 0.000 0.475 32 N N -0.298 118.538 118.700 0.228 0.000 2.120 32 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 32 N C 1.851 177.285 175.510 -0.127 0.000 1.024 32 N CA 1.223 54.347 53.050 0.124 0.000 0.852 32 N CB -0.138 38.459 38.487 0.182 0.000 1.003 32 N HN 0.244 nan 8.380 nan 0.000 0.424 33 R N 0.028 120.383 120.500 -0.240 0.000 2.081 33 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 33 R C 1.778 177.797 176.300 -0.469 0.000 1.131 33 R CA 1.046 56.838 56.100 -0.512 0.000 0.960 33 R CB -0.383 29.772 30.300 -0.241 0.000 0.856 33 R HN 0.474 nan 8.270 nan 0.000 0.436 34 H N 0.358 119.283 119.070 -0.242 0.000 2.363 34 H HA -0.069 4.487 4.556 -0.001 0.000 0.301 34 H C 2.163 177.280 175.328 -0.351 0.000 1.074 34 H CA 1.148 57.039 56.048 -0.262 0.000 1.354 34 H CB -0.142 29.483 29.762 -0.229 0.000 1.397 34 H HN 0.080 nan 8.280 nan 0.000 0.516 35 L N 0.634 121.620 121.223 -0.394 0.000 2.012 35 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 35 L C 2.113 178.709 176.870 -0.456 0.000 1.073 35 L CA 1.847 56.376 54.840 -0.518 0.000 0.748 35 L CB -0.463 41.179 42.059 -0.695 0.000 0.891 35 L HN 0.207 nan 8.230 nan 0.000 0.431 36 H N -2.351 116.535 119.070 -0.307 0.000 2.329 36 H HA 0.010 4.566 4.556 -0.001 0.000 0.306 36 H C 1.726 177.004 175.328 -0.082 0.000 1.062 36 H CA 1.858 57.745 56.048 -0.268 0.000 1.364 36 H CB -0.127 29.361 29.762 -0.456 0.000 1.409 36 H HN 0.238 nan 8.280 nan 0.000 0.519 37 F N -0.021 119.932 119.950 0.005 0.000 2.219 37 F HA 0.003 4.530 4.527 -0.001 0.000 0.294 37 F C 2.430 178.163 175.800 -0.111 0.000 1.086 37 F CA 0.867 58.828 58.000 -0.065 0.000 1.330 37 F CB -0.987 37.954 39.000 -0.098 0.000 1.047 37 F HN 0.034 nan 8.300 nan 0.000 0.495 38 T N 0.454 115.015 114.554 0.012 0.000 2.809 38 T HA -0.037 4.313 4.350 -0.000 0.000 0.260 38 T C 1.875 176.510 174.700 -0.108 0.000 1.039 38 T CA 1.017 63.068 62.100 -0.081 0.000 1.141 38 T CB -0.318 68.472 68.868 -0.131 0.000 0.869 38 T HN -0.022 nan 8.240 nan 0.000 0.437 39 L N 0.709 121.859 121.223 -0.121 0.000 2.529 39 L HA 0.256 4.596 4.340 -0.000 0.000 0.223 39 L C 0.612 177.419 176.870 -0.105 0.000 1.113 39 L CA 0.340 55.093 54.840 -0.144 0.000 0.861 39 L CB -0.400 41.543 42.059 -0.193 0.000 1.012 39 L HN 0.000 nan 8.230 nan 0.000 0.461 40 V N -0.020 119.865 119.914 -0.047 0.000 6.016 40 V HA -0.293 3.826 4.120 -0.000 0.000 0.265 40 V C 0.402 176.478 176.094 -0.029 0.000 0.621 40 V CA 0.824 63.123 62.300 -0.001 0.000 0.592 40 V CB -2.133 29.683 31.823 -0.011 0.000 0.298 40 V HN 0.400 nan 8.190 nan 0.000 0.615 41 K N 0.956 121.327 120.400 -0.048 0.000 2.318 41 K HA 0.846 5.166 4.320 -0.000 0.000 0.265 41 K C -0.617 175.977 176.600 -0.010 0.000 1.055 41 K CA -0.256 55.986 56.287 -0.075 0.000 0.896 41 K CB 2.634 35.024 32.500 -0.182 0.000 1.479 41 K HN 0.528 nan 8.250 nan 0.000 0.449 42 D N -1.802 118.591 120.400 -0.012 0.000 2.615 42 D HA 0.137 4.776 4.640 -0.000 0.000 0.267 42 D C 0.382 176.717 176.300 0.058 0.000 1.236 42 D CA -0.713 53.352 54.000 0.109 0.000 0.839 42 D CB 0.791 41.714 40.800 0.204 0.000 1.380 42 D HN 0.471 nan 8.370 nan 0.000 0.433 43 R N 0.194 120.791 120.500 0.162 0.000 2.293 43 R HA -0.028 4.311 4.340 -0.000 0.000 0.219 43 R C 0.251 176.632 176.300 0.135 0.000 1.091 43 R CA 1.030 57.249 56.100 0.198 0.000 1.004 43 R CB -0.521 29.904 30.300 0.209 0.000 0.865 43 R HN 0.265 nan 8.270 nan 0.000 0.469 44 N N 0.264 119.016 118.700 0.087 0.000 2.376 44 N HA -0.067 4.673 4.740 -0.000 0.000 0.177 44 N C 1.337 176.866 175.510 0.033 0.000 1.024 44 N CA 1.033 54.118 53.050 0.058 0.000 0.893 44 N CB 0.468 38.983 38.487 0.047 0.000 0.980 44 N HN 0.152 nan 8.380 nan 0.000 0.439 45 V N 0.251 120.171 119.914 0.009 0.000 3.556 45 V HA 0.388 4.508 4.120 -0.000 0.000 0.287 45 V C 0.233 176.281 176.094 -0.077 0.000 1.422 45 V CA -0.149 62.138 62.300 -0.023 0.000 1.038 45 V CB -0.005 31.805 31.823 -0.023 0.000 0.850 45 V HN 0.135 nan 8.190 nan 0.000 0.437 46 A N 1.407 124.151 122.820 -0.127 0.000 2.511 46 A HA 0.490 4.810 4.320 -0.000 0.000 0.242 46 A C 0.801 178.184 177.584 -0.336 0.000 1.069 46 A CA 0.794 52.636 52.037 -0.325 0.000 0.763 46 A CB -0.106 18.547 19.000 -0.580 0.000 1.001 46 A HN 0.643 nan 8.150 nan 0.000 0.498 47 T N -0.253 114.104 114.554 -0.330 0.000 2.849 47 T HA 0.408 4.758 4.350 -0.000 0.000 0.276 47 T C 1.261 175.855 174.700 -0.177 0.000 0.971 47 T CA 0.245 62.236 62.100 -0.181 0.000 0.949 47 T CB 0.546 69.342 68.868 -0.120 0.000 1.093 47 T HN 0.474 nan 8.240 nan 0.000 0.545 48 T N -0.048 114.526 114.554 0.034 0.000 2.777 48 T HA -0.055 4.294 4.350 -0.000 0.000 0.266 48 T C 1.995 176.801 174.700 0.176 0.000 1.040 48 T CA 1.207 63.421 62.100 0.190 0.000 1.141 48 T CB -0.322 68.632 68.868 0.144 0.000 0.868 48 T HN 0.643 nan 8.240 nan 0.000 0.444 49 R N 1.030 121.580 120.500 0.084 0.000 2.120 49 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 49 R C 1.711 178.161 176.300 0.250 0.000 1.123 49 R CA 1.638 57.843 56.100 0.176 0.000 0.975 49 R CB -0.216 30.080 30.300 -0.006 0.000 0.866 49 R HN 0.305 nan 8.270 nan 0.000 0.446 50 D N -0.393 119.995 120.400 -0.020 0.000 2.117 50 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 50 D C 1.696 177.948 176.300 -0.080 0.000 0.982 50 D CA 1.261 55.179 54.000 -0.138 0.000 0.828 50 D CB -0.355 40.226 40.800 -0.365 0.000 0.967 50 D HN 0.292 nan 8.370 nan 0.000 0.464 51 Y N 0.045 120.410 120.300 0.107 0.000 2.274 51 Y HA -0.191 4.359 4.550 -0.000 0.000 0.290 51 Y C 2.281 178.314 175.900 0.221 0.000 1.145 51 Y CA 0.306 58.525 58.100 0.199 0.000 1.203 51 Y CB -0.994 37.655 38.460 0.316 0.000 0.984 51 Y HN 0.083 nan 8.280 nan 0.000 0.533 52 Y N -0.472 119.989 120.300 0.270 0.000 2.089 52 Y HA -0.274 4.275 4.550 -0.001 0.000 0.282 52 Y C 2.024 177.942 175.900 0.030 0.000 1.139 52 Y CA 1.220 59.407 58.100 0.146 0.000 1.123 52 Y CB -1.249 37.255 38.460 0.073 0.000 0.980 52 Y HN 0.042 nan 8.280 nan 0.000 0.493 53 F N 0.422 120.055 119.950 -0.528 0.000 2.202 53 F HA -0.215 4.312 4.527 -0.000 0.000 0.301 53 F C 2.593 178.150 175.800 -0.405 0.000 1.082 53 F CA 1.497 59.141 58.000 -0.594 0.000 1.313 53 F CB -0.719 38.142 39.000 -0.233 0.000 1.024 53 F HN 0.242 nan 8.300 nan 0.000 0.495 54 A N -0.583 122.134 122.820 -0.172 0.000 1.929 54 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 54 A C 2.006 179.437 177.584 -0.256 0.000 1.176 54 A CA 1.213 53.039 52.037 -0.351 0.000 0.628 54 A CB -0.783 17.664 19.000 -0.922 0.000 0.816 54 A HN 0.330 nan 8.150 nan 0.000 0.444 55 L N -0.259 120.929 121.223 -0.059 0.000 2.072 55 L HA 0.086 4.425 4.340 -0.000 0.000 0.205 55 L C 2.617 179.403 176.870 -0.141 0.000 1.079 55 L CA 2.023 56.926 54.840 0.106 0.000 0.752 55 L CB -1.031 41.159 42.059 0.218 0.000 0.906 55 L HN 0.315 nan 8.230 nan 0.000 0.436 56 A N -1.023 121.504 122.820 -0.490 0.000 1.883 56 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 56 A C 2.170 179.218 177.584 -0.892 0.000 1.186 56 A CA 2.139 53.686 52.037 -0.815 0.000 0.624 56 A CB -1.152 16.943 19.000 -1.508 0.000 0.822 56 A HN 0.687 nan 8.150 nan 0.000 0.444 57 H N -0.957 117.682 119.070 -0.719 0.000 2.389 57 H HA -0.055 4.501 4.556 -0.000 0.000 0.299 57 H C 2.374 177.295 175.328 -0.679 0.000 1.081 57 H CA 1.859 57.434 56.048 -0.789 0.000 1.345 57 H CB -0.106 29.017 29.762 -1.065 0.000 1.393 57 H HN 0.477 nan 8.280 nan 0.000 0.520 58 T N -0.230 114.112 114.554 -0.352 0.000 2.708 58 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 58 T C 2.264 177.031 174.700 0.111 0.000 1.037 58 T CA 1.397 63.488 62.100 -0.015 0.000 1.146 58 T CB -0.445 68.520 68.868 0.162 0.000 0.865 58 T HN 0.093 nan 8.240 nan 0.000 0.435 59 V N 1.330 121.312 119.914 0.114 0.000 2.427 59 V HA -0.132 3.988 4.120 -0.000 0.000 0.248 59 V C 2.631 178.869 176.094 0.239 0.000 1.051 59 V CA 1.537 63.978 62.300 0.235 0.000 1.048 59 V CB -0.608 31.376 31.823 0.268 0.000 0.666 59 V HN 0.353 nan 8.190 nan 0.000 0.456 60 R N 0.035 120.606 120.500 0.118 0.000 2.105 60 R HA -0.203 4.136 4.340 -0.000 0.000 0.239 60 R C 2.003 178.347 176.300 0.072 0.000 1.135 60 R CA 1.994 58.160 56.100 0.111 0.000 0.967 60 R CB -0.315 29.896 30.300 -0.149 0.000 0.861 60 R HN 0.520 nan 8.270 nan 0.000 0.442 61 D N -0.550 119.865 120.400 0.025 0.000 2.117 61 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 61 D C 1.849 178.123 176.300 -0.044 0.000 0.987 61 D CA 1.164 55.156 54.000 -0.014 0.000 0.829 61 D CB -0.393 40.383 40.800 -0.041 0.000 0.961 61 D HN 0.409 nan 8.370 nan 0.000 0.460 62 H N -0.141 118.973 119.070 0.073 0.000 2.357 62 H HA -0.056 4.500 4.556 -0.000 0.000 0.301 62 H C 2.232 177.597 175.328 0.062 0.000 1.082 62 H CA 0.585 56.669 56.048 0.060 0.000 1.342 62 H CB -0.304 29.488 29.762 0.051 0.000 1.389 62 H HN 0.119 nan 8.280 nan 0.000 0.511 63 L N 0.664 122.002 121.223 0.191 0.000 1.994 63 L HA -0.134 4.205 4.340 -0.000 0.000 0.208 63 L C 2.408 179.364 176.870 0.143 0.000 1.071 63 L CA 1.237 56.163 54.840 0.143 0.000 0.745 63 L CB -0.732 41.415 42.059 0.147 0.000 0.892 63 L HN -0.055 nan 8.230 nan 0.000 0.431 64 V N 0.215 120.198 119.914 0.114 0.000 2.490 64 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 64 V C 2.584 178.796 176.094 0.196 0.000 1.061 64 V CA 1.603 63.983 62.300 0.133 0.000 1.064 64 V CB -1.571 30.275 31.823 0.038 0.000 0.670 64 V HN 0.662 nan 8.190 nan 0.000 0.461 65 G N -0.103 108.769 108.800 0.119 0.000 2.408 65 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.217 65 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.217 65 G C 1.772 176.725 174.900 0.088 0.000 1.150 65 G CA 0.472 45.626 45.100 0.090 0.000 0.776 65 G HN 0.450 nan 8.290 nan 0.000 0.542 66 R N -1.400 119.160 120.500 0.100 0.000 2.153 66 R HA 0.017 4.357 4.340 -0.000 0.000 0.218 66 R C 2.170 178.502 176.300 0.053 0.000 1.072 66 R CA 0.782 56.913 56.100 0.051 0.000 0.990 66 R CB -0.282 30.045 30.300 0.045 0.000 0.889 66 R HN 0.543 nan 8.270 nan 0.000 0.452 67 W N 1.369 122.636 121.300 -0.056 0.000 2.381 67 W HA -0.050 4.610 4.660 -0.000 0.000 0.301 67 W C 1.507 177.980 176.519 -0.077 0.000 1.205 67 W CA 1.070 58.373 57.345 -0.071 0.000 1.285 67 W CB -0.111 29.325 29.460 -0.040 0.000 1.133 67 W HN -0.107 nan 8.180 nan 0.000 0.521 68 I N 0.750 121.380 120.570 0.101 0.000 2.179 68 I HA -0.334 3.836 4.170 -0.000 0.000 0.242 68 I C 2.609 178.603 176.117 -0.206 0.000 1.088 68 I CA 1.177 62.426 61.300 -0.085 0.000 1.357 68 I CB -0.545 37.516 38.000 0.102 0.000 1.051 68 I HN -0.104 nan 8.210 nan 0.000 0.409 69 R N 0.259 120.679 120.500 -0.134 0.000 2.075 69 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 69 R C 2.293 178.447 176.300 -0.244 0.000 1.126 69 R CA 1.531 57.543 56.100 -0.147 0.000 0.963 69 R CB -1.314 28.925 30.300 -0.101 0.000 0.858 69 R HN 0.331 nan 8.270 nan 0.000 0.435 70 T N 1.931 116.277 114.554 -0.347 0.000 2.652 70 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 70 T C 1.782 176.001 174.700 -0.802 0.000 1.039 70 T CA 1.217 62.972 62.100 -0.574 0.000 1.153 70 T CB -0.063 68.476 68.868 -0.549 0.000 0.863 70 T HN 0.202 nan 8.240 nan 0.000 0.428 71 Q N 1.094 120.465 119.800 -0.715 0.000 2.170 71 Q HA -0.047 4.293 4.340 -0.000 0.000 0.203 71 Q C 2.308 178.164 176.000 -0.241 0.000 0.976 71 Q CA 1.205 56.688 55.803 -0.533 0.000 0.858 71 Q CB -0.396 27.877 28.738 -0.776 0.000 0.907 71 Q HN 0.656 nan 8.270 nan 0.000 0.433 72 Q N -0.618 119.047 119.800 -0.224 0.000 2.167 72 Q HA -0.170 4.169 4.340 -0.000 0.000 0.202 72 Q C 1.882 177.894 176.000 0.019 0.000 0.970 72 Q CA 1.226 56.981 55.803 -0.080 0.000 0.855 72 Q CB -0.149 28.537 28.738 -0.086 0.000 0.911 72 Q HN 0.512 nan 8.270 nan 0.000 0.438 73 H N -0.477 118.505 119.070 -0.147 0.000 2.363 73 H HA -0.139 4.417 4.556 -0.001 0.000 0.301 73 H C 1.287 176.657 175.328 0.069 0.000 1.074 73 H CA 1.533 57.531 56.048 -0.083 0.000 1.354 73 H CB 0.026 29.674 29.762 -0.190 0.000 1.397 73 H HN 0.189 nan 8.280 nan 0.000 0.516 74 Y N -0.919 119.361 120.300 -0.034 0.000 2.274 74 Y HA -0.188 4.362 4.550 -0.001 0.000 0.290 74 Y C 2.313 178.177 175.900 -0.059 0.000 1.145 74 Y CA 1.072 59.129 58.100 -0.072 0.000 1.203 74 Y CB -1.216 37.239 38.460 -0.009 0.000 0.984 74 Y HN 0.369 nan 8.280 nan 0.000 0.533 75 Y N 0.648 120.982 120.300 0.057 0.000 2.263 75 Y HA -0.160 4.389 4.550 -0.001 0.000 0.292 75 Y C 2.267 178.149 175.900 -0.030 0.000 1.130 75 Y CA 1.733 59.839 58.100 0.010 0.000 1.179 75 Y CB -0.201 38.253 38.460 -0.011 0.000 0.998 75 Y HN 0.125 nan 8.280 nan 0.000 0.532 76 D N -0.268 120.175 120.400 0.073 0.000 2.084 76 D HA -0.158 4.481 4.640 -0.000 0.000 0.196 76 D C 1.741 177.970 176.300 -0.119 0.000 0.985 76 D CA 1.524 55.519 54.000 -0.009 0.000 0.826 76 D CB 0.049 40.848 40.800 -0.001 0.000 0.978 76 D HN 0.033 nan 8.370 nan 0.000 0.456 77 K N -0.117 120.161 120.400 -0.203 0.000 2.366 77 K HA 0.036 4.355 4.320 -0.000 0.000 0.198 77 K C 0.705 177.213 176.600 -0.153 0.000 1.044 77 K CA 0.245 56.410 56.287 -0.203 0.000 0.973 77 K CB -1.122 31.183 32.500 -0.324 0.000 0.767 77 K HN 0.324 nan 8.250 nan 0.000 0.475 78 C N 2.567 121.775 119.300 -0.153 0.000 3.349 78 C HA -0.095 4.365 4.460 -0.000 0.000 0.275 78 C C -1.676 173.251 174.990 -0.105 0.000 1.322 78 C CA -1.110 57.821 59.018 -0.145 0.000 2.261 78 C CB -1.806 25.828 27.740 -0.175 0.000 1.446 78 C HN 0.388 nan 8.230 nan 0.000 0.533 79 P HA 0.240 nan 4.420 nan 0.000 0.279 79 P C -0.629 176.613 177.300 -0.097 0.000 1.282 79 P CA -0.229 62.809 63.100 -0.105 0.000 0.788 79 P CB 0.547 32.162 31.700 -0.142 0.000 1.139 80 K N 0.767 121.117 120.400 -0.084 0.000 2.276 80 K HA 0.176 4.495 4.320 -0.000 0.000 0.283 80 K C -0.050 176.467 176.600 -0.137 0.000 1.044 80 K CA -0.304 55.938 56.287 -0.074 0.000 0.944 80 K CB 0.411 32.887 32.500 -0.041 0.000 1.012 80 K HN 0.308 nan 8.250 nan 0.000 0.472 81 R N 2.408 122.816 120.500 -0.153 0.000 2.407 81 R HA 0.332 4.672 4.340 -0.000 0.000 0.303 81 R C -0.872 175.189 176.300 -0.398 0.000 0.981 81 R CA -0.913 55.020 56.100 -0.277 0.000 0.905 81 R CB 1.783 31.916 30.300 -0.279 0.000 1.099 81 R HN 0.291 nan 8.270 nan 0.000 0.459 82 V N 3.919 123.551 119.914 -0.469 0.000 2.394 82 V HA 0.268 4.387 4.120 -0.000 0.000 0.282 82 V C -0.948 174.869 176.094 -0.460 0.000 1.031 82 V CA -0.642 61.330 62.300 -0.545 0.000 0.881 82 V CB 0.798 32.150 31.823 -0.785 0.000 0.982 82 V HN 0.597 nan 8.190 nan 0.000 0.451 83 Y N 3.853 124.108 120.300 -0.076 0.000 2.345 83 Y HA 0.401 4.951 4.550 -0.000 0.000 0.331 83 Y C -0.383 175.623 175.900 0.177 0.000 0.959 83 Y CA -0.756 57.426 58.100 0.138 0.000 1.204 83 Y CB 1.206 39.673 38.460 0.012 0.000 1.135 83 Y HN 0.643 nan 8.280 nan 0.000 0.477 84 Y N 4.769 125.271 120.300 0.335 0.000 2.556 84 Y HA 0.288 4.837 4.550 -0.000 0.000 0.352 84 Y C -0.617 175.574 175.900 0.485 0.000 1.006 84 Y CA -0.532 57.781 58.100 0.355 0.000 1.277 84 Y CB 0.312 38.983 38.460 0.352 0.000 1.136 84 Y HN 0.450 nan 8.280 nan 0.000 0.523 85 L N 5.667 126.989 121.223 0.165 0.000 2.283 85 L HA 0.290 4.629 4.340 -0.000 0.000 0.287 85 L C -0.194 176.752 176.870 0.126 0.000 1.073 85 L CA 0.307 55.294 54.840 0.245 0.000 0.822 85 L CB 0.554 42.728 42.059 0.193 0.000 1.186 85 L HN 0.626 nan 8.230 nan 0.000 0.436 86 S N 4.147 119.999 115.700 0.254 0.000 2.548 86 S HA 0.390 4.859 4.470 -0.000 0.000 0.276 86 S C 0.295 174.981 174.600 0.144 0.000 1.129 86 S CA -0.648 57.595 58.200 0.072 0.000 0.931 86 S CB 1.318 64.368 63.200 -0.251 0.000 1.068 86 S HN 0.491 nan 8.310 nan 0.000 0.480 87 L N 3.104 124.429 121.223 0.170 0.000 2.627 87 L HA 0.426 4.766 4.340 -0.000 0.000 0.232 87 L C 0.534 177.475 176.870 0.118 0.000 1.150 87 L CA 0.898 55.852 54.840 0.191 0.000 0.917 87 L CB -1.017 41.119 42.059 0.128 0.000 1.104 87 L HN 0.778 nan 8.230 nan 0.000 0.445 88 E N -0.527 119.664 120.200 -0.016 0.000 2.343 88 E HA 0.255 4.604 4.350 -0.000 0.000 0.286 88 E C -1.688 174.751 176.600 -0.268 0.000 0.915 88 E CA -0.385 55.974 56.400 -0.067 0.000 0.784 88 E CB 1.424 31.063 29.700 -0.103 0.000 1.251 88 E HN -0.061 nan 8.360 nan 0.000 0.407 89 F N 4.102 124.119 119.950 0.111 0.000 2.676 89 F HA 0.252 4.779 4.527 -0.001 0.000 0.371 89 F C -0.729 175.137 175.800 0.111 0.000 1.141 89 F CA -0.649 57.414 58.000 0.105 0.000 1.133 89 F CB 0.914 39.971 39.000 0.094 0.000 1.376 89 F HN 0.501 nan 8.300 nan 0.000 0.491 90 Y N 5.014 125.357 120.300 0.072 0.000 2.570 90 Y HA 0.144 4.694 4.550 -0.000 0.000 0.336 90 Y C 1.134 177.032 175.900 -0.004 0.000 1.284 90 Y CA -0.780 57.318 58.100 -0.004 0.000 1.761 90 Y CB 0.202 38.648 38.460 -0.023 0.000 1.724 90 Y HN 0.533 nan 8.280 nan 0.000 0.455 91 M N 0.826 120.483 119.600 0.095 0.000 2.288 91 M HA 0.082 4.562 4.480 -0.000 0.000 0.266 91 M C 1.642 177.841 176.300 -0.168 0.000 1.072 91 M CA 1.061 56.336 55.300 -0.041 0.000 1.132 91 M CB -1.173 31.393 32.600 -0.057 0.000 1.386 91 M HN 0.658 nan 8.290 nan 0.000 0.432 92 G N 1.180 109.850 108.800 -0.217 0.000 2.539 92 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.256 92 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.256 92 G C -0.098 174.677 174.900 -0.209 0.000 1.233 92 G CA -0.126 44.815 45.100 -0.265 0.000 0.936 92 G HN 0.427 nan 8.290 nan 0.000 0.571 93 R N -1.029 119.342 120.500 -0.215 0.000 2.541 93 R HA 0.653 4.993 4.340 -0.000 0.000 0.263 93 R C 0.992 177.123 176.300 -0.282 0.000 1.112 93 R CA 0.192 56.184 56.100 -0.180 0.000 1.170 93 R CB 0.686 30.901 30.300 -0.142 0.000 1.167 93 R HN 0.547 nan 8.270 nan 0.000 0.582 94 T N -0.126 114.203 114.554 -0.375 0.000 2.980 94 T HA 0.089 4.439 4.350 -0.000 0.000 0.252 94 T C 1.520 175.787 174.700 -0.722 0.000 0.962 94 T CA -0.389 61.275 62.100 -0.726 0.000 0.932 94 T CB 0.221 68.222 68.868 -1.445 0.000 1.188 94 T HN 0.314 nan 8.240 nan 0.000 0.500 95 L N 1.557 122.592 121.223 -0.313 0.000 1.933 95 L HA -0.203 4.137 4.340 -0.000 0.000 0.220 95 L C 2.534 179.362 176.870 -0.071 0.000 1.078 95 L CA 1.927 56.769 54.840 0.002 0.000 0.773 95 L CB -0.364 41.885 42.059 0.315 0.000 0.890 95 L HN 0.225 nan 8.230 nan 0.000 0.434 96 Q N -0.470 119.294 119.800 -0.059 0.000 2.124 96 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 96 Q C 1.905 177.838 176.000 -0.112 0.000 0.977 96 Q CA 1.619 57.383 55.803 -0.064 0.000 0.850 96 Q CB -0.779 27.924 28.738 -0.058 0.000 0.901 96 Q HN 0.615 nan 8.270 nan 0.000 0.429 97 N N 0.027 118.620 118.700 -0.178 0.000 2.104 97 N HA -0.135 4.605 4.740 -0.000 0.000 0.190 97 N C 1.356 176.768 175.510 -0.163 0.000 1.024 97 N CA 1.725 54.662 53.050 -0.189 0.000 0.853 97 N CB 0.236 38.570 38.487 -0.255 0.000 1.008 97 N HN 0.162 nan 8.380 nan 0.000 0.424 98 T N 1.090 115.512 114.554 -0.220 0.000 2.777 98 T HA -0.050 4.300 4.350 -0.000 0.000 0.266 98 T C 2.043 176.691 174.700 -0.088 0.000 1.040 98 T CA 0.984 62.975 62.100 -0.183 0.000 1.141 98 T CB -0.074 68.624 68.868 -0.285 0.000 0.868 98 T HN 0.236 nan 8.240 nan 0.000 0.444 99 M N 0.190 119.752 119.600 -0.064 0.000 2.159 99 M HA 0.003 4.483 4.480 -0.000 0.000 0.263 99 M C 2.072 178.346 176.300 -0.044 0.000 1.063 99 M CA 1.521 56.799 55.300 -0.036 0.000 1.110 99 M CB -0.355 32.238 32.600 -0.012 0.000 1.374 99 M HN 0.226 nan 8.290 nan 0.000 0.411 100 I N -0.020 120.529 120.570 -0.035 0.000 2.163 100 I HA -0.299 3.871 4.170 -0.000 0.000 0.240 100 I C 1.722 177.844 176.117 0.009 0.000 1.081 100 I CA 1.208 62.511 61.300 0.005 0.000 1.353 100 I CB -0.559 37.458 38.000 0.027 0.000 1.054 100 I HN 0.299 nan 8.210 nan 0.000 0.407 101 N N 0.772 119.479 118.700 0.011 0.000 2.289 101 N HA -0.095 4.645 4.740 -0.000 0.000 0.184 101 N C 1.544 176.971 175.510 -0.138 0.000 1.016 101 N CA 1.080 54.123 53.050 -0.010 0.000 0.872 101 N CB -0.169 38.331 38.487 0.022 0.000 0.973 101 N HN 0.337 nan 8.380 nan 0.000 0.433 102 L N -1.274 119.886 121.223 -0.104 0.000 2.607 102 L HA 0.287 4.627 4.340 -0.000 0.000 0.228 102 L C 0.737 177.526 176.870 -0.135 0.000 1.123 102 L CA -0.036 54.739 54.840 -0.109 0.000 0.890 102 L CB -0.335 41.689 42.059 -0.058 0.000 1.103 102 L HN 0.122 nan 8.230 nan 0.000 0.468 103 G N 1.341 110.058 108.800 -0.138 0.000 2.314 103 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.292 103 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.292 103 G C 0.471 175.307 174.900 -0.107 0.000 1.059 103 G CA 0.300 45.325 45.100 -0.124 0.000 0.982 103 G HN 0.384 nan 8.290 nan 0.000 0.505 104 L N -1.261 119.905 121.223 -0.095 0.000 2.701 104 L HA 0.227 4.567 4.340 -0.000 0.000 0.238 104 L C 2.532 179.367 176.870 -0.058 0.000 1.106 104 L CA 0.611 55.389 54.840 -0.104 0.000 0.898 104 L CB -0.045 41.936 42.059 -0.131 0.000 1.188 104 L HN 0.432 nan 8.230 nan 0.000 0.508 105 Q N 1.096 120.874 119.800 -0.038 0.000 2.096 105 Q HA -0.300 4.039 4.340 -0.000 0.000 0.208 105 Q C 1.984 177.975 176.000 -0.016 0.000 0.993 105 Q CA 2.379 58.171 55.803 -0.017 0.000 0.862 105 Q CB -0.053 28.677 28.738 -0.012 0.000 0.915 105 Q HN 0.517 nan 8.270 nan 0.000 0.416 106 N N -0.996 117.689 118.700 -0.024 0.000 2.058 106 N HA -0.195 4.545 4.740 -0.000 0.000 0.191 106 N C 1.733 177.229 175.510 -0.023 0.000 1.037 106 N CA 1.327 54.363 53.050 -0.023 0.000 0.848 106 N CB -0.129 38.342 38.487 -0.026 0.000 1.021 106 N HN 0.320 nan 8.380 nan 0.000 0.422 107 A N 0.869 123.671 122.820 -0.031 0.000 1.877 107 A HA -0.148 4.171 4.320 -0.000 0.000 0.216 107 A C 2.765 180.341 177.584 -0.013 0.000 1.186 107 A CA 1.446 53.468 52.037 -0.026 0.000 0.620 107 A CB -1.078 17.898 19.000 -0.041 0.000 0.822 107 A HN 0.615 nan 8.150 nan 0.000 0.443 108 C N -0.845 118.448 119.300 -0.012 0.000 2.413 108 C HA -0.108 4.351 4.460 -0.000 0.000 0.277 108 C C 2.378 177.372 174.990 0.007 0.000 1.265 108 C CA 1.207 60.229 59.018 0.007 0.000 1.752 108 C CB -1.475 26.279 27.740 0.023 0.000 1.998 108 C HN 0.704 nan 8.230 nan 0.000 0.489 109 D N 0.353 120.758 120.400 0.009 0.000 2.104 109 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 109 D C 2.168 178.493 176.300 0.041 0.000 0.994 109 D CA 1.612 55.626 54.000 0.022 0.000 0.830 109 D CB -0.143 40.662 40.800 0.008 0.000 0.959 109 D HN 0.517 nan 8.370 nan 0.000 0.452 110 E N 0.302 120.513 120.200 0.018 0.000 2.047 110 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 110 E C 1.812 178.441 176.600 0.048 0.000 0.987 110 E CA 1.513 57.931 56.400 0.029 0.000 0.799 110 E CB -0.497 29.200 29.700 -0.005 0.000 0.752 110 E HN 0.211 nan 8.360 nan 0.000 0.449 111 A N 1.112 123.935 122.820 0.005 0.000 1.865 111 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 111 A C 2.245 179.763 177.584 -0.109 0.000 1.191 111 A CA 1.738 53.755 52.037 -0.034 0.000 0.623 111 A CB -0.754 18.230 19.000 -0.026 0.000 0.826 111 A HN 0.387 nan 8.150 nan 0.000 0.444 112 I N -1.672 118.825 120.570 -0.122 0.000 2.454 112 I HA -0.201 3.968 4.170 -0.000 0.000 0.254 112 I C 2.273 178.285 176.117 -0.174 0.000 1.156 112 I CA 1.313 62.477 61.300 -0.226 0.000 1.433 112 I CB -1.343 36.567 38.000 -0.149 0.000 1.082 112 I HN 0.555 nan 8.210 nan 0.000 0.432 113 Y N 1.916 122.134 120.300 -0.137 0.000 2.263 113 Y HA -0.183 4.367 4.550 -0.000 0.000 0.292 113 Y C 2.656 178.489 175.900 -0.111 0.000 1.130 113 Y CA 1.540 59.576 58.100 -0.106 0.000 1.179 113 Y CB -0.039 38.379 38.460 -0.070 0.000 0.998 113 Y HN 0.196 nan 8.280 nan 0.000 0.532 114 Q N -0.238 119.566 119.800 0.007 0.000 2.291 114 Q HA -0.091 4.249 4.340 -0.000 0.000 0.205 114 Q C 1.715 177.630 176.000 -0.142 0.000 0.970 114 Q CA 1.058 56.841 55.803 -0.033 0.000 0.876 114 Q CB -0.008 28.733 28.738 0.005 0.000 0.935 114 Q HN 0.514 nan 8.270 nan 0.000 0.455 115 L N -0.803 120.281 121.223 -0.232 0.000 2.591 115 L HA 0.150 4.490 4.340 -0.000 0.000 0.228 115 L C 1.009 177.691 176.870 -0.313 0.000 1.133 115 L CA 0.275 54.940 54.840 -0.290 0.000 0.880 115 L CB 0.028 41.791 42.059 -0.495 0.000 1.033 115 L HN 0.315 nan 8.230 nan 0.000 0.450 116 G N 0.780 109.375 108.800 -0.342 0.000 2.160 116 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.244 116 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.244 116 G C -0.090 174.601 174.900 -0.349 0.000 1.022 116 G CA 0.039 44.929 45.100 -0.350 0.000 0.741 116 G HN 0.245 nan 8.290 nan 0.000 0.508 117 L N -0.633 120.368 121.223 -0.370 0.000 2.303 117 L HA 0.668 5.007 4.340 -0.000 0.000 0.266 117 L C -0.233 176.519 176.870 -0.195 0.000 1.011 117 L CA -1.162 53.500 54.840 -0.297 0.000 0.818 117 L CB 1.720 43.566 42.059 -0.355 0.000 1.326 117 L HN 0.117 nan 8.230 nan 0.000 0.435 118 D N 0.793 121.133 120.400 -0.101 0.000 2.412 118 D HA 0.188 4.828 4.640 -0.000 0.000 0.224 118 D C 0.722 177.029 176.300 0.011 0.000 1.093 118 D CA -0.152 53.831 54.000 -0.029 0.000 0.850 118 D CB 1.079 41.876 40.800 -0.005 0.000 1.046 118 D HN 0.490 nan 8.370 nan 0.000 0.507 119 I N 3.044 123.630 120.570 0.026 0.000 2.335 119 I HA -0.205 3.964 4.170 -0.000 0.000 0.251 119 I C 1.548 177.704 176.117 0.065 0.000 1.129 119 I CA 1.186 62.517 61.300 0.051 0.000 1.402 119 I CB 0.263 38.293 38.000 0.051 0.000 1.069 119 I HN 0.506 nan 8.210 nan 0.000 0.424 120 E N 0.062 120.295 120.200 0.055 0.000 2.204 120 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 120 E C 1.879 178.511 176.600 0.053 0.000 0.989 120 E CA 1.079 57.510 56.400 0.052 0.000 0.824 120 E CB -0.006 29.725 29.700 0.051 0.000 0.756 120 E HN 0.582 nan 8.360 nan 0.000 0.477 121 E N 0.616 120.850 120.200 0.056 0.000 2.112 121 E HA -0.101 4.248 4.350 -0.000 0.000 0.190 121 E C 2.076 178.720 176.600 0.074 0.000 0.979 121 E CA 0.263 56.698 56.400 0.058 0.000 0.814 121 E CB 0.178 29.911 29.700 0.055 0.000 0.762 121 E HN 0.185 nan 8.360 nan 0.000 0.460 122 L N 0.798 122.089 121.223 0.112 0.000 2.056 122 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 122 L C 2.683 179.628 176.870 0.126 0.000 1.078 122 L CA 1.319 56.273 54.840 0.190 0.000 0.749 122 L CB -0.562 41.654 42.059 0.263 0.000 0.901 122 L HN 0.252 nan 8.230 nan 0.000 0.433 123 E N 0.519 120.775 120.200 0.094 0.000 2.058 123 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 123 E C 1.853 178.408 176.600 -0.076 0.000 0.997 123 E CA 1.223 57.645 56.400 0.035 0.000 0.801 123 E CB 0.141 29.868 29.700 0.046 0.000 0.746 123 E HN 0.361 nan 8.360 nan 0.000 0.450 124 E N 0.388 120.562 120.200 -0.044 0.000 2.409 124 E HA -0.123 4.227 4.350 -0.000 0.000 0.198 124 E C 1.942 178.476 176.600 -0.110 0.000 1.024 124 E CA 0.218 56.589 56.400 -0.049 0.000 0.861 124 E CB 0.040 29.747 29.700 0.013 0.000 0.788 124 E HN 0.424 nan 8.360 nan 0.000 0.521 125 I N 0.954 121.400 120.570 -0.207 0.000 2.315 125 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 125 I C 1.356 177.227 176.117 -0.410 0.000 1.117 125 I CA 0.510 61.645 61.300 -0.275 0.000 1.404 125 I CB -0.722 37.100 38.000 -0.296 0.000 1.071 125 I HN 0.139 nan 8.210 nan 0.000 0.419 126 E N 2.473 122.273 120.200 -0.667 0.000 2.414 126 E HA -0.060 4.290 4.350 -0.000 0.000 0.263 126 E C -0.088 176.437 176.600 -0.126 0.000 1.000 126 E CA -0.029 56.081 56.400 -0.484 0.000 0.914 126 E CB 0.699 30.174 29.700 -0.375 0.000 0.948 126 E HN 0.137 nan 8.360 nan 0.000 0.444 127 E N 3.321 123.536 120.200 0.025 0.000 2.318 127 E HA 0.135 4.484 4.350 -0.000 0.000 0.265 127 E C -0.875 175.780 176.600 0.092 0.000 1.069 127 E CA -0.442 56.027 56.400 0.115 0.000 0.893 127 E CB 0.831 30.691 29.700 0.267 0.000 1.076 127 E HN 0.515 nan 8.360 nan 0.000 0.414 128 D N 0.335 120.757 120.400 0.036 0.000 2.350 128 D HA 0.256 4.895 4.640 -0.000 0.000 0.249 128 D C -0.453 175.766 176.300 -0.134 0.000 1.119 128 D CA -0.073 53.887 54.000 -0.067 0.000 0.886 128 D CB 0.805 41.540 40.800 -0.108 0.000 1.195 128 D HN 0.402 nan 8.370 nan 0.000 0.437 129 A N 2.281 124.947 122.820 -0.256 0.000 2.515 129 A HA 0.393 4.712 4.320 -0.000 0.000 0.263 129 A C 1.197 178.240 177.584 -0.901 0.000 1.096 129 A CA -0.101 51.496 52.037 -0.732 0.000 0.769 129 A CB -0.072 18.637 19.000 -0.485 0.000 1.040 129 A HN 0.635 nan 8.150 nan 0.000 0.505 130 G N 2.256 110.038 108.800 -1.697 0.000 3.284 130 G HA2 0.379 4.338 3.960 -0.000 0.000 0.251 130 G HA3 0.379 4.338 3.960 -0.000 0.000 0.251 130 G C 0.407 174.979 174.900 -0.547 0.000 0.913 130 G CA -0.103 44.437 45.100 -0.934 0.000 1.947 130 G HN 0.719 nan 8.290 nan 0.000 0.635 131 L N -0.237 120.780 121.223 -0.344 0.000 2.817 131 L HA 0.367 4.707 4.340 -0.000 0.000 0.248 131 L C 1.362 178.282 176.870 0.082 0.000 1.133 131 L CA 0.004 54.853 54.840 0.015 0.000 0.935 131 L CB 0.682 42.748 42.059 0.012 0.000 1.266 131 L HN 0.344 nan 8.230 nan 0.000 0.535 132 G N -0.892 107.880 108.800 -0.047 0.000 2.818 132 G HA2 0.304 4.264 3.960 -0.000 0.000 0.286 132 G HA3 0.304 4.264 3.960 -0.000 0.000 0.286 132 G C -0.350 174.081 174.900 -0.780 0.000 1.364 132 G CA -0.151 44.779 45.100 -0.282 0.000 0.938 132 G HN -0.075 nan 8.290 nan 0.000 0.490 133 N N -2.429 115.658 118.700 -1.023 0.000 2.200 133 N HA 0.301 5.040 4.740 -0.000 0.000 0.233 133 N C 0.690 175.740 175.510 -0.768 0.000 1.236 133 N CA 1.233 53.794 53.050 -0.814 0.000 0.845 133 N CB 1.022 39.383 38.487 -0.211 0.000 1.257 133 N HN 0.944 nan 8.380 nan 0.000 0.472 134 G N -1.379 107.058 108.800 -0.605 0.000 2.726 134 G HA2 0.342 4.301 3.960 -0.000 0.000 0.198 134 G HA3 0.342 4.301 3.960 -0.000 0.000 0.198 134 G C 0.509 175.436 174.900 0.044 0.000 1.195 134 G CA 0.030 45.056 45.100 -0.122 0.000 0.951 134 G HN 0.125 nan 8.290 nan 0.000 0.532 135 G N -0.108 108.713 108.800 0.035 0.000 2.408 135 G HA2 0.062 4.022 3.960 -0.000 0.000 0.217 135 G HA3 0.062 4.022 3.960 -0.000 0.000 0.217 135 G C 1.818 176.689 174.900 -0.049 0.000 1.150 135 G CA 1.540 46.649 45.100 0.015 0.000 0.776 135 G HN 0.642 nan 8.290 nan 0.000 0.542 136 L N 1.512 122.674 121.223 -0.102 0.000 2.012 136 L HA 0.090 4.430 4.340 -0.000 0.000 0.210 136 L C 2.690 179.467 176.870 -0.155 0.000 1.073 136 L CA 2.518 57.227 54.840 -0.218 0.000 0.748 136 L CB -0.839 41.108 42.059 -0.188 0.000 0.891 136 L HN 0.148 nan 8.230 nan 0.000 0.431 137 G N -1.512 107.229 108.800 -0.099 0.000 2.430 137 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 137 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 137 G C 1.710 176.625 174.900 0.025 0.000 1.146 137 G CA 0.572 45.620 45.100 -0.087 0.000 0.793 137 G HN 0.335 nan 8.290 nan 0.000 0.537 138 R N 0.199 120.765 120.500 0.111 0.000 2.148 138 R HA 0.206 4.546 4.340 -0.000 0.000 0.223 138 R C 2.209 178.514 176.300 0.008 0.000 1.088 138 R CA 0.463 56.653 56.100 0.150 0.000 0.985 138 R CB -0.681 29.738 30.300 0.199 0.000 0.880 138 R HN 0.324 nan 8.270 nan 0.000 0.451 139 L N -0.279 120.869 121.223 -0.125 0.000 2.027 139 L HA -0.055 4.285 4.340 -0.000 0.000 0.206 139 L C 1.920 178.440 176.870 -0.584 0.000 1.074 139 L CA 2.021 56.640 54.840 -0.368 0.000 0.745 139 L CB -0.965 40.879 42.059 -0.358 0.000 0.898 139 L HN 0.361 nan 8.230 nan 0.000 0.433 140 A N -0.080 122.512 122.820 -0.381 0.000 1.883 140 A HA -0.226 4.093 4.320 -0.000 0.000 0.217 140 A C 2.455 180.004 177.584 -0.059 0.000 1.186 140 A CA 2.012 53.839 52.037 -0.349 0.000 0.624 140 A CB -0.830 17.987 19.000 -0.304 0.000 0.822 140 A HN 0.565 nan 8.150 nan 0.000 0.444 141 A N -1.132 121.733 122.820 0.076 0.000 1.902 141 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 141 A C 2.321 179.971 177.584 0.111 0.000 1.181 141 A CA 1.754 53.887 52.037 0.160 0.000 0.623 141 A CB -1.290 17.801 19.000 0.151 0.000 0.818 141 A HN 0.616 nan 8.150 nan 0.000 0.443 142 C N -1.575 117.789 119.300 0.107 0.000 2.440 142 C HA -0.029 4.431 4.460 -0.000 0.000 0.278 142 C C 2.414 177.570 174.990 0.276 0.000 1.295 142 C CA 0.487 59.617 59.018 0.187 0.000 1.738 142 C CB -1.590 26.285 27.740 0.224 0.000 1.987 142 C HN 0.608 nan 8.230 nan 0.000 0.492 143 F N 1.267 121.195 119.950 -0.036 0.000 2.134 143 F HA -0.072 4.454 4.527 -0.000 0.000 0.299 143 F C 2.250 178.002 175.800 -0.079 0.000 1.097 143 F CA 0.993 58.930 58.000 -0.106 0.000 1.264 143 F CB -1.396 37.402 39.000 -0.338 0.000 1.001 143 F HN 0.192 nan 8.300 nan 0.000 0.479 144 L N -0.398 120.903 121.223 0.131 0.000 2.042 144 L HA -0.254 4.085 4.340 -0.000 0.000 0.210 144 L C 2.398 179.298 176.870 0.049 0.000 1.076 144 L CA 1.981 56.862 54.840 0.069 0.000 0.749 144 L CB -0.783 41.316 42.059 0.066 0.000 0.893 144 L HN 0.174 nan 8.230 nan 0.000 0.432 145 D N -0.291 120.145 120.400 0.060 0.000 2.117 145 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 145 D C 2.083 178.416 176.300 0.055 0.000 0.987 145 D CA 1.459 55.483 54.000 0.040 0.000 0.829 145 D CB 0.363 41.181 40.800 0.030 0.000 0.961 145 D HN 0.213 nan 8.370 nan 0.000 0.460 146 S N -0.092 115.655 115.700 0.079 0.000 2.368 146 S HA -0.055 4.414 4.470 -0.000 0.000 0.224 146 S C 2.141 176.769 174.600 0.046 0.000 1.029 146 S CA 0.778 59.017 58.200 0.065 0.000 0.988 146 S CB -0.089 63.155 63.200 0.074 0.000 0.838 146 S HN 0.347 nan 8.310 nan 0.000 0.462 147 M N 0.969 120.592 119.600 0.038 0.000 2.213 147 M HA -0.060 4.420 4.480 -0.000 0.000 0.263 147 M C 2.370 178.687 176.300 0.028 0.000 1.062 147 M CA 1.282 56.600 55.300 0.029 0.000 1.105 147 M CB -0.513 32.086 32.600 -0.002 0.000 1.385 147 M HN 0.373 nan 8.290 nan 0.000 0.417 148 A N -0.219 122.619 122.820 0.030 0.000 1.930 148 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 148 A C 2.179 179.790 177.584 0.046 0.000 1.176 148 A CA 1.676 53.735 52.037 0.036 0.000 0.632 148 A CB -0.846 18.169 19.000 0.025 0.000 0.819 148 A HN 0.389 nan 8.150 nan 0.000 0.445 149 T N -0.025 114.561 114.554 0.053 0.000 2.904 149 T HA -0.005 4.344 4.350 -0.000 0.000 0.267 149 T C 1.042 175.775 174.700 0.057 0.000 1.059 149 T CA 0.892 63.032 62.100 0.067 0.000 1.137 149 T CB -0.162 68.753 68.868 0.078 0.000 0.879 149 T HN 0.163 nan 8.240 nan 0.000 0.467 150 L N 0.894 122.148 121.223 0.052 0.000 2.653 150 L HA 0.380 4.720 4.340 -0.000 0.000 0.232 150 L C 1.723 178.627 176.870 0.056 0.000 1.169 150 L CA 0.123 54.994 54.840 0.051 0.000 0.951 150 L CB -1.079 41.011 42.059 0.052 0.000 1.181 150 L HN 0.387 nan 8.230 nan 0.000 0.460 151 G N -0.064 108.774 108.800 0.062 0.000 2.258 151 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.274 151 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.274 151 G C 0.366 175.327 174.900 0.102 0.000 1.021 151 G CA 0.325 45.480 45.100 0.091 0.000 0.798 151 G HN 0.335 nan 8.290 nan 0.000 0.507 152 L N -0.147 121.107 121.223 0.051 0.000 2.312 152 L HA 0.599 4.939 4.340 -0.000 0.000 0.281 152 L C 1.158 177.931 176.870 -0.162 0.000 1.070 152 L CA -0.362 54.457 54.840 -0.035 0.000 0.805 152 L CB 1.616 43.667 42.059 -0.013 0.000 1.174 152 L HN 0.216 nan 8.230 nan 0.000 0.434 153 A N 3.176 125.726 122.820 -0.450 0.000 2.981 153 A HA 0.554 4.873 4.320 -0.000 0.000 0.280 153 A C 0.376 177.670 177.584 -0.483 0.000 1.743 153 A CA -0.153 51.344 52.037 -0.900 0.000 1.430 153 A CB -0.623 17.641 19.000 -1.228 0.000 1.085 153 A HN 0.730 nan 8.150 nan 0.000 0.597 154 A N 1.450 124.040 122.820 -0.383 0.000 2.337 154 A HA 0.825 5.145 4.320 -0.000 0.000 0.331 154 A C -0.895 176.475 177.584 -0.356 0.000 1.137 154 A CA -0.468 51.397 52.037 -0.286 0.000 0.807 154 A CB 0.790 19.672 19.000 -0.196 0.000 1.250 154 A HN 0.623 nan 8.150 nan 0.000 0.468 155 Y N -0.284 119.959 120.300 -0.095 0.000 2.536 155 Y HA 0.592 5.141 4.550 -0.000 0.000 0.347 155 Y C 0.789 176.820 175.900 0.218 0.000 1.000 155 Y CA -0.614 57.536 58.100 0.083 0.000 1.051 155 Y CB 2.621 41.260 38.460 0.299 0.000 1.259 155 Y HN 0.824 nan 8.280 nan 0.000 0.468 156 G N 1.299 110.220 108.800 0.201 0.000 2.417 156 G HA2 0.545 4.504 3.960 -0.000 0.000 0.320 156 G HA3 0.545 4.504 3.960 -0.000 0.000 0.320 156 G C -2.074 172.837 174.900 0.018 0.000 1.204 156 G CA -0.405 44.796 45.100 0.168 0.000 0.923 156 G HN 0.491 nan 8.290 nan 0.000 0.466 157 Y N 1.105 121.654 120.300 0.414 0.000 2.361 157 Y HA 0.661 5.211 4.550 -0.001 0.000 0.337 157 Y C 0.724 176.958 175.900 0.558 0.000 0.965 157 Y CA 0.091 58.414 58.100 0.372 0.000 1.091 157 Y CB 2.739 41.447 38.460 0.413 0.000 1.182 157 Y HN 0.899 nan 8.280 nan 0.000 0.450 158 G N 2.287 111.411 108.800 0.539 0.000 2.650 158 G HA2 0.551 4.511 3.960 -0.000 0.000 0.310 158 G HA3 0.551 4.511 3.960 -0.000 0.000 0.310 158 G C -1.799 173.304 174.900 0.338 0.000 1.270 158 G CA -0.850 44.569 45.100 0.533 0.000 0.810 158 G HN 0.428 nan 8.290 nan 0.000 0.493 159 I N 0.569 121.229 120.570 0.149 0.000 2.412 159 I HA 0.440 4.609 4.170 -0.000 0.000 0.296 159 I C 0.370 176.288 176.117 -0.333 0.000 0.987 159 I CA -0.720 60.529 61.300 -0.086 0.000 1.180 159 I CB 2.033 39.811 38.000 -0.371 0.000 1.340 159 I HN 0.358 nan 8.210 nan 0.000 0.455 160 R N 5.788 126.201 120.500 -0.145 0.000 2.248 160 R HA 0.243 4.583 4.340 -0.000 0.000 0.337 160 R C -1.452 174.788 176.300 -0.101 0.000 1.106 160 R CA -0.415 55.634 56.100 -0.085 0.000 0.959 160 R CB 0.156 30.397 30.300 -0.099 0.000 1.075 160 R HN 0.387 nan 8.270 nan 0.000 0.480 161 Y N 2.572 122.988 120.300 0.194 0.000 2.436 161 Y HA -0.016 4.533 4.550 -0.001 0.000 0.343 161 Y C 1.500 177.550 175.900 0.250 0.000 1.008 161 Y CA -0.155 58.053 58.100 0.180 0.000 1.241 161 Y CB 1.049 39.587 38.460 0.130 0.000 1.153 161 Y HN 0.660 nan 8.280 nan 0.000 0.521 162 E N 2.395 122.712 120.200 0.195 0.000 2.118 162 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 162 E C 0.052 176.480 176.600 -0.286 0.000 0.992 162 E CA 1.653 57.960 56.400 -0.156 0.000 0.804 162 E CB 0.054 29.579 29.700 -0.291 0.000 0.741 162 E HN 0.858 nan 8.360 nan 0.000 0.458 163 Y N -1.202 119.312 120.300 0.356 0.000 2.675 163 Y HA 0.284 4.834 4.550 -0.000 0.000 0.248 163 Y C 0.980 177.049 175.900 0.283 0.000 1.161 163 Y CA -0.230 58.072 58.100 0.336 0.000 1.203 163 Y CB 1.225 39.814 38.460 0.215 0.000 1.262 163 Y HN 0.197 nan 8.280 nan 0.000 0.544 164 G N 1.636 110.649 108.800 0.355 0.000 2.611 164 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.301 164 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.301 164 G C 0.817 175.708 174.900 -0.015 0.000 1.233 164 G CA 0.943 46.090 45.100 0.078 0.000 0.993 164 G HN 0.359 nan 8.290 nan 0.000 0.553 165 I N -0.632 119.905 120.570 -0.055 0.000 2.899 165 I HA 0.569 4.739 4.170 -0.000 0.000 0.257 165 I C 0.636 176.901 176.117 0.248 0.000 1.115 165 I CA 1.514 62.821 61.300 0.013 0.000 1.451 165 I CB 0.271 38.209 38.000 -0.104 0.000 1.251 165 I HN 1.199 nan 8.210 nan 0.000 0.456 166 F N -1.465 118.537 119.950 0.088 0.000 2.873 166 F HA 0.252 4.778 4.527 -0.000 0.000 0.336 166 F C -1.929 173.941 175.800 0.118 0.000 1.126 166 F CA -1.332 56.735 58.000 0.110 0.000 0.875 166 F CB -0.313 38.744 39.000 0.094 0.000 1.607 166 F HN -0.185 nan 8.300 nan 0.000 0.458 167 N N 1.404 120.317 118.700 0.356 0.000 2.443 167 N HA 0.341 5.081 4.740 -0.000 0.000 0.295 167 N C -1.667 174.125 175.510 0.470 0.000 1.076 167 N CA -0.935 52.260 53.050 0.242 0.000 0.919 167 N CB 1.729 40.342 38.487 0.210 0.000 1.176 167 N HN 0.691 nan 8.380 nan 0.000 0.487 168 Q N 2.328 122.349 119.800 0.369 0.000 2.243 168 Q HA 0.274 4.613 4.340 -0.000 0.000 0.252 168 Q C -1.216 174.964 176.000 0.300 0.000 0.909 168 Q CA -0.170 55.897 55.803 0.441 0.000 0.922 168 Q CB 0.775 29.783 28.738 0.450 0.000 1.215 168 Q HN 0.405 nan 8.270 nan 0.000 0.427 169 K N 4.422 124.974 120.400 0.253 0.000 2.427 169 K HA 0.400 4.720 4.320 -0.000 0.000 0.252 169 K C -0.793 175.910 176.600 0.170 0.000 0.931 169 K CA -0.724 55.678 56.287 0.192 0.000 0.793 169 K CB 1.558 34.145 32.500 0.145 0.000 1.211 169 K HN 0.690 nan 8.250 nan 0.000 0.426 170 I N 0.883 121.551 120.570 0.164 0.000 2.337 170 I HA 0.442 4.611 4.170 -0.000 0.000 0.285 170 I C -0.723 175.452 176.117 0.096 0.000 1.041 170 I CA -0.965 60.409 61.300 0.123 0.000 1.199 170 I CB 0.453 38.526 38.000 0.121 0.000 1.370 170 I HN 0.350 nan 8.210 nan 0.000 0.470 171 R N 3.207 123.764 120.500 0.096 0.000 2.360 171 R HA 0.498 4.838 4.340 -0.000 0.000 0.318 171 R C -0.308 176.056 176.300 0.107 0.000 0.950 171 R CA -0.634 55.516 56.100 0.083 0.000 0.837 171 R CB 0.660 31.000 30.300 0.067 0.000 1.165 171 R HN 0.604 nan 8.270 nan 0.000 0.458 172 D N 2.136 122.586 120.400 0.084 0.000 2.775 172 D HA -0.143 4.497 4.640 -0.000 0.000 0.235 172 D C 0.981 177.338 176.300 0.095 0.000 1.120 172 D CA 1.950 56.009 54.000 0.099 0.000 0.708 172 D CB -1.132 39.750 40.800 0.136 0.000 1.084 172 D HN 1.070 nan 8.370 nan 0.000 0.434 173 G N -1.819 106.982 108.800 0.002 0.000 2.377 173 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.250 173 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.250 173 G C 0.516 175.283 174.900 -0.222 0.000 1.039 173 G CA 0.642 45.651 45.100 -0.151 0.000 0.625 173 G HN 0.350 nan 8.290 nan 0.000 0.526 174 W N 0.898 122.145 121.300 -0.089 0.000 2.166 174 W HA 0.670 5.330 4.660 -0.000 0.000 0.364 174 W C 0.810 177.273 176.519 -0.093 0.000 1.344 174 W CA -0.413 56.871 57.345 -0.103 0.000 1.471 174 W CB 0.452 29.868 29.460 -0.074 0.000 1.220 174 W HN 0.212 nan 8.180 nan 0.000 0.666 175 Q N 1.328 121.255 119.800 0.212 0.000 2.257 175 Q HA 0.487 4.826 4.340 -0.000 0.000 0.255 175 Q C -1.566 174.490 176.000 0.095 0.000 0.920 175 Q CA -0.479 55.399 55.803 0.126 0.000 0.927 175 Q CB 1.795 30.598 28.738 0.109 0.000 1.229 175 Q HN 0.471 nan 8.270 nan 0.000 0.433 176 V N 4.278 124.240 119.914 0.081 0.000 2.483 176 V HA 0.331 4.451 4.120 -0.000 0.000 0.297 176 V C -1.328 174.776 176.094 0.016 0.000 1.027 176 V CA -0.571 61.742 62.300 0.021 0.000 0.855 176 V CB 1.965 33.807 31.823 0.031 0.000 0.995 176 V HN 0.881 nan 8.190 nan 0.000 0.424 177 E N 4.872 124.997 120.200 -0.125 0.000 2.313 177 E HA 0.452 4.802 4.350 -0.000 0.000 0.276 177 E C -0.523 176.083 176.600 0.009 0.000 1.031 177 E CA 0.004 56.283 56.400 -0.201 0.000 0.857 177 E CB 0.919 30.112 29.700 -0.844 0.000 1.040 177 E HN 0.716 nan 8.360 nan 0.000 0.408 178 E N 0.772 121.087 120.200 0.192 0.000 2.277 178 E HA 0.565 4.915 4.350 -0.000 0.000 0.266 178 E C -0.977 175.756 176.600 0.221 0.000 0.901 178 E CA -1.336 55.163 56.400 0.165 0.000 0.782 178 E CB 1.847 31.647 29.700 0.167 0.000 1.228 178 E HN 0.543 nan 8.360 nan 0.000 0.424 179 A N 1.887 124.793 122.820 0.144 0.000 2.451 179 A HA 0.029 4.349 4.320 -0.000 0.000 0.266 179 A C -0.039 177.703 177.584 0.264 0.000 1.119 179 A CA -0.124 52.005 52.037 0.152 0.000 0.786 179 A CB -0.057 18.920 19.000 -0.039 0.000 1.061 179 A HN 0.510 nan 8.150 nan 0.000 0.503 180 D N 2.923 123.530 120.400 0.345 0.000 2.498 180 D HA 0.087 4.727 4.640 -0.000 0.000 0.229 180 D C -0.424 176.194 176.300 0.528 0.000 1.188 180 D CA -0.231 53.989 54.000 0.367 0.000 1.028 180 D CB 0.179 41.146 40.800 0.278 0.000 1.087 180 D HN 0.488 nan 8.370 nan 0.000 0.510 181 D N 3.258 123.937 120.400 0.465 0.000 2.741 181 D HA -0.055 4.584 4.640 -0.000 0.000 0.233 181 D C 1.477 177.932 176.300 0.258 0.000 1.160 181 D CA -0.770 53.471 54.000 0.402 0.000 1.003 181 D CB -0.515 40.528 40.800 0.404 0.000 1.064 181 D HN 0.526 nan 8.370 nan 0.000 0.503 182 W N 1.046 122.407 121.300 0.101 0.000 2.465 182 W HA -0.035 4.625 4.660 -0.000 0.000 0.268 182 W C 0.308 176.880 176.519 0.088 0.000 1.242 182 W CA -0.130 57.274 57.345 0.099 0.000 1.248 182 W CB -0.849 28.663 29.460 0.087 0.000 1.118 182 W HN 0.144 nan 8.180 nan 0.000 0.587 183 L N 1.019 121.873 121.223 -0.615 0.000 2.591 183 L HA 0.135 4.475 4.340 -0.000 0.000 0.228 183 L C 2.807 179.506 176.870 -0.285 0.000 1.133 183 L CA 0.182 54.644 54.840 -0.629 0.000 0.880 183 L CB -0.731 40.795 42.059 -0.889 0.000 1.033 183 L HN -0.096 nan 8.230 nan 0.000 0.450 184 R N 0.715 121.098 120.500 -0.194 0.000 2.140 184 R HA -0.250 4.090 4.340 -0.000 0.000 0.250 184 R C 1.107 177.155 176.300 -0.420 0.000 1.150 184 R CA 2.194 58.116 56.100 -0.298 0.000 0.966 184 R CB -0.202 29.889 30.300 -0.349 0.000 0.869 184 R HN 0.364 nan 8.270 nan 0.000 0.445 185 Y N -0.674 119.635 120.300 0.014 0.000 2.584 185 Y HA 0.357 4.907 4.550 -0.000 0.000 0.254 185 Y C 0.705 176.619 175.900 0.023 0.000 1.177 185 Y CA 0.150 58.250 58.100 0.001 0.000 1.216 185 Y CB 1.287 39.788 38.460 0.068 0.000 1.172 185 Y HN 0.434 nan 8.280 nan 0.000 0.529 186 G N 1.588 110.455 108.800 0.112 0.000 2.707 186 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.686 186 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.686 186 G C -1.228 173.803 174.900 0.219 0.000 1.315 186 G CA -0.797 44.365 45.100 0.103 0.000 0.832 186 G HN 0.266 nan 8.290 nan 0.000 0.573 187 N N 1.043 119.800 118.700 0.095 0.000 2.569 187 N HA 0.562 5.302 4.740 -0.000 0.000 0.254 187 N C -0.714 174.804 175.510 0.013 0.000 1.004 187 N CA -1.951 51.150 53.050 0.085 0.000 0.904 187 N CB 2.040 40.542 38.487 0.025 0.000 1.165 187 N HN 0.263 nan 8.380 nan 0.000 0.513 188 P HA 0.011 nan 4.420 nan 0.000 0.234 188 P C 0.328 177.231 177.300 -0.661 0.000 1.167 188 P CA 0.643 63.398 63.100 -0.576 0.000 0.763 188 P CB 0.018 30.966 31.700 -1.252 0.000 0.835 189 W N 1.557 122.792 121.300 -0.108 0.000 3.077 189 W HA 0.116 4.776 4.660 -0.000 0.000 0.266 189 W C 1.241 177.720 176.519 -0.068 0.000 1.300 189 W CA -0.449 56.837 57.345 -0.099 0.000 1.586 189 W CB 0.140 29.560 29.460 -0.067 0.000 1.103 189 W HN 0.029 nan 8.180 nan 0.000 0.652 190 E N 1.229 121.518 120.200 0.149 0.000 2.239 190 E HA 0.547 4.897 4.350 -0.000 0.000 0.261 190 E C -0.758 175.883 176.600 0.068 0.000 1.016 190 E CA -1.021 55.453 56.400 0.124 0.000 0.882 190 E CB 1.651 31.479 29.700 0.214 0.000 1.190 190 E HN -0.321 nan 8.360 nan 0.000 0.415 191 K N 1.124 121.543 120.400 0.032 0.000 2.652 191 K HA 0.186 4.506 4.320 -0.000 0.000 0.249 191 K C -1.263 175.229 176.600 -0.180 0.000 0.986 191 K CA -0.384 55.865 56.287 -0.064 0.000 0.867 191 K CB 1.563 33.982 32.500 -0.135 0.000 1.201 191 K HN 0.694 nan 8.250 nan 0.000 0.450 192 S N 3.426 118.912 115.700 -0.358 0.000 2.593 192 S HA 0.456 4.925 4.470 -0.000 0.000 0.269 192 S C -0.142 174.249 174.600 -0.347 0.000 1.334 192 S CA -0.583 57.159 58.200 -0.763 0.000 1.015 192 S CB 0.750 63.356 63.200 -0.990 0.000 0.912 192 S HN 0.524 nan 8.310 nan 0.000 0.541 193 R N 1.670 122.007 120.500 -0.272 0.000 2.651 193 R HA 0.289 4.629 4.340 -0.000 0.000 0.282 193 R C -2.204 174.099 176.300 0.005 0.000 1.565 193 R CA -1.981 54.083 56.100 -0.061 0.000 1.661 193 R CB 0.583 30.917 30.300 0.057 0.000 1.189 193 R HN 0.591 nan 8.270 nan 0.000 0.621 194 P HA -0.137 nan 4.420 nan 0.000 0.219 194 P C 0.489 177.823 177.300 0.056 0.000 1.146 194 P CA 1.061 64.164 63.100 0.005 0.000 0.808 194 P CB 0.512 32.202 31.700 -0.016 0.000 0.779 195 E N -1.909 118.340 120.200 0.082 0.000 2.502 195 E HA 0.002 4.352 4.350 -0.000 0.000 0.194 195 E C -0.151 176.587 176.600 0.230 0.000 1.062 195 E CA 0.034 56.505 56.400 0.117 0.000 0.867 195 E CB -0.137 29.619 29.700 0.094 0.000 0.888 195 E HN 0.202 nan 8.360 nan 0.000 0.510 196 F N 1.346 121.324 119.950 0.047 0.000 2.710 196 F HA 0.329 4.856 4.527 -0.000 0.000 0.345 196 F C -0.898 174.980 175.800 0.129 0.000 1.362 196 F CA -0.575 57.477 58.000 0.086 0.000 1.175 196 F CB 0.278 39.338 39.000 0.100 0.000 1.561 196 F HN -0.266 nan 8.300 nan 0.000 0.593 197 M N 4.978 124.488 119.600 -0.149 0.000 2.205 197 M HA 0.443 4.923 4.480 -0.000 0.000 0.344 197 M C -0.928 175.203 176.300 -0.282 0.000 1.085 197 M CA -0.582 54.634 55.300 -0.140 0.000 1.001 197 M CB 1.796 34.386 32.600 -0.017 0.000 1.626 197 M HN 0.199 nan 8.290 nan 0.000 0.442 198 L N 5.582 126.610 121.223 -0.326 0.000 2.307 198 L HA 0.531 4.870 4.340 -0.000 0.000 0.282 198 L C -2.043 174.660 176.870 -0.278 0.000 1.051 198 L CA -1.969 52.647 54.840 -0.373 0.000 0.804 198 L CB 1.005 42.749 42.059 -0.524 0.000 1.197 198 L HN 0.355 nan 8.230 nan 0.000 0.431 199 P HA 0.153 nan 4.420 nan 0.000 0.281 199 P C -0.963 176.136 177.300 -0.336 0.000 1.252 199 P CA -0.250 62.686 63.100 -0.273 0.000 0.778 199 P CB 1.725 33.275 31.700 -0.250 0.000 0.895 200 V N 4.766 124.466 119.914 -0.357 0.000 2.376 200 V HA 0.247 4.367 4.120 -0.000 0.000 0.287 200 V C 0.511 176.303 176.094 -0.503 0.000 1.015 200 V CA -0.639 61.443 62.300 -0.364 0.000 0.834 200 V CB 0.653 32.349 31.823 -0.212 0.000 1.001 200 V HN 0.596 nan 8.190 nan 0.000 0.428 201 H N 4.196 123.034 119.070 -0.386 0.000 2.505 201 H HA 0.620 5.176 4.556 -0.001 0.000 0.351 201 H C -1.177 173.849 175.328 -0.504 0.000 1.151 201 H CA 0.053 55.800 56.048 -0.502 0.000 1.339 201 H CB 1.661 30.841 29.762 -0.971 0.000 1.483 201 H HN 0.459 nan 8.280 nan 0.000 0.558 202 F N -0.649 119.395 119.950 0.157 0.000 2.645 202 F HA 0.198 4.725 4.527 -0.000 0.000 0.310 202 F C -0.220 175.714 175.800 0.224 0.000 1.102 202 F CA -0.724 57.352 58.000 0.127 0.000 0.952 202 F CB 0.767 39.702 39.000 -0.109 0.000 1.326 202 F HN 0.610 nan 8.300 nan 0.000 0.456 203 Y N 0.185 120.792 120.300 0.513 0.000 2.903 203 Y HA -0.001 4.549 4.550 -0.000 0.000 0.466 203 Y C 1.382 177.557 175.900 0.458 0.000 1.201 203 Y CA 0.906 59.220 58.100 0.356 0.000 2.493 203 Y CB -1.760 36.841 38.460 0.234 0.000 1.237 203 Y HN 1.340 nan 8.280 nan 0.000 0.633 204 G N 0.443 109.544 108.800 0.502 0.000 2.642 204 G HA2 0.078 4.038 3.960 -0.000 0.000 0.231 204 G HA3 0.078 4.038 3.960 -0.000 0.000 0.231 204 G C -0.991 174.121 174.900 0.352 0.000 1.338 204 G CA 0.247 45.572 45.100 0.375 0.000 0.883 204 G HN 1.230 nan 8.290 nan 0.000 0.570 205 K N -2.076 118.519 120.400 0.325 0.000 2.536 205 K HA 0.743 5.063 4.320 -0.000 0.000 0.269 205 K C -0.906 175.828 176.600 0.223 0.000 0.965 205 K CA -1.135 55.287 56.287 0.225 0.000 0.860 205 K CB 2.232 34.822 32.500 0.148 0.000 1.423 205 K HN 0.725 nan 8.250 nan 0.000 0.438 206 V N 1.050 121.037 119.914 0.122 0.000 2.509 206 V HA 0.256 4.375 4.120 -0.000 0.000 0.284 206 V C -0.261 175.866 176.094 0.056 0.000 1.047 206 V CA -0.291 62.040 62.300 0.052 0.000 0.952 206 V CB 1.120 32.928 31.823 -0.024 0.000 0.988 206 V HN 0.895 nan 8.190 nan 0.000 0.469 207 E N 3.418 123.612 120.200 -0.011 0.000 2.325 207 E HA 0.256 4.606 4.350 -0.000 0.000 0.248 207 E C -0.824 175.750 176.600 -0.043 0.000 0.912 207 E CA -0.672 55.743 56.400 0.025 0.000 0.782 207 E CB 0.588 30.311 29.700 0.037 0.000 1.264 207 E HN 0.808 nan 8.360 nan 0.000 0.417 208 H N 3.921 123.008 119.070 0.029 0.000 3.089 208 H HA 0.058 4.613 4.556 -0.000 0.000 0.262 208 H C 0.719 176.060 175.328 0.021 0.000 1.160 208 H CA 0.404 56.466 56.048 0.023 0.000 1.482 208 H CB 0.525 30.296 29.762 0.016 0.000 1.511 208 H HN 0.541 nan 8.280 nan 0.000 0.483 209 T N -0.302 114.296 114.554 0.075 0.000 2.902 209 T HA 0.097 4.447 4.350 -0.000 0.000 0.287 209 T C 1.302 176.036 174.700 0.057 0.000 1.048 209 T CA -0.709 61.425 62.100 0.057 0.000 0.941 209 T CB 0.899 69.786 68.868 0.030 0.000 1.432 209 T HN 0.540 nan 8.240 nan 0.000 0.586 210 N N 0.335 119.059 118.700 0.041 0.000 2.207 210 N HA -0.030 4.710 4.740 -0.000 0.000 0.182 210 N C 1.332 176.862 175.510 0.033 0.000 1.020 210 N CA 1.282 54.354 53.050 0.036 0.000 0.858 210 N CB -0.195 38.308 38.487 0.027 0.000 0.991 210 N HN 0.823 nan 8.380 nan 0.000 0.427 211 T N -1.245 113.325 114.554 0.028 0.000 3.312 211 T HA 0.524 4.874 4.350 -0.000 0.000 0.251 211 T C 0.544 175.258 174.700 0.023 0.000 1.012 211 T CA -0.257 61.858 62.100 0.025 0.000 0.925 211 T CB 0.148 69.028 68.868 0.020 0.000 1.049 211 T HN 0.358 nan 8.240 nan 0.000 0.583 212 G N 0.535 109.352 108.800 0.028 0.000 2.371 212 G HA2 0.171 4.131 3.960 -0.000 0.000 0.663 212 G HA3 0.171 4.131 3.960 -0.000 0.000 0.663 212 G C -0.758 174.135 174.900 -0.012 0.000 1.311 212 G CA -0.826 44.285 45.100 0.019 0.000 0.985 212 G HN 0.351 nan 8.290 nan 0.000 0.566 213 T N 2.167 116.688 114.554 -0.055 0.000 2.817 213 T HA 0.601 4.951 4.350 -0.000 0.000 0.293 213 T C -0.030 174.597 174.700 -0.122 0.000 0.964 213 T CA -0.283 61.699 62.100 -0.196 0.000 1.085 213 T CB 1.221 69.922 68.868 -0.277 0.000 0.921 213 T HN 0.507 nan 8.240 nan 0.000 0.502 214 K N 1.973 122.304 120.400 -0.115 0.000 2.324 214 K HA 0.259 4.579 4.320 -0.000 0.000 0.253 214 K C -1.213 175.425 176.600 0.062 0.000 0.932 214 K CA -0.698 55.577 56.287 -0.020 0.000 0.799 214 K CB 2.298 34.791 32.500 -0.013 0.000 1.154 214 K HN 0.637 nan 8.250 nan 0.000 0.425 215 W N 6.569 127.788 121.300 -0.136 0.000 2.295 215 W HA 0.355 5.015 4.660 -0.001 0.000 0.333 215 W C -0.492 175.963 176.519 -0.107 0.000 0.990 215 W CA -1.524 55.749 57.345 -0.119 0.000 1.453 215 W CB -0.362 29.014 29.460 -0.141 0.000 1.263 215 W HN 0.592 nan 8.180 nan 0.000 0.380 216 I N 1.594 122.226 120.570 0.103 0.000 3.217 216 I HA 0.559 4.729 4.170 -0.000 0.000 0.308 216 I C 0.106 176.230 176.117 0.010 0.000 1.091 216 I CA -0.829 60.455 61.300 -0.027 0.000 1.013 216 I CB 1.707 39.714 38.000 0.012 0.000 1.250 216 I HN 0.196 nan 8.210 nan 0.000 0.496 217 D N 0.612 121.009 120.400 -0.005 0.000 2.870 217 D HA -0.156 4.484 4.640 -0.000 0.000 0.228 217 D C 0.272 176.610 176.300 0.064 0.000 1.147 217 D CA 1.416 55.439 54.000 0.039 0.000 0.757 217 D CB -1.639 39.207 40.800 0.076 0.000 1.091 217 D HN 1.021 nan 8.370 nan 0.000 0.429 218 T N -2.876 111.671 114.554 -0.013 0.000 2.847 218 T HA 0.467 4.817 4.350 -0.000 0.000 0.279 218 T C 0.345 175.118 174.700 0.122 0.000 0.984 218 T CA -0.631 61.490 62.100 0.036 0.000 0.988 218 T CB 1.764 70.478 68.868 -0.256 0.000 1.040 218 T HN 0.038 nan 8.240 nan 0.000 0.528 219 Q N 1.048 120.982 119.800 0.223 0.000 2.347 219 Q HA 0.510 4.850 4.340 -0.000 0.000 0.262 219 Q C -0.831 175.263 176.000 0.157 0.000 0.980 219 Q CA -0.798 55.138 55.803 0.221 0.000 0.867 219 Q CB 1.891 30.847 28.738 0.363 0.000 1.242 219 Q HN 0.519 nan 8.270 nan 0.000 0.453 220 V N 3.022 122.942 119.914 0.010 0.000 2.732 220 V HA 0.347 4.466 4.120 -0.000 0.000 0.297 220 V C 0.021 176.116 176.094 0.003 0.000 1.060 220 V CA -0.404 61.801 62.300 -0.158 0.000 1.038 220 V CB 1.612 33.274 31.823 -0.268 0.000 1.003 220 V HN 0.470 nan 8.190 nan 0.000 0.481 221 V N 5.320 125.239 119.914 0.009 0.000 2.623 221 V HA 0.421 4.541 4.120 -0.000 0.000 0.304 221 V C -0.348 175.802 176.094 0.093 0.000 1.054 221 V CA -0.543 61.829 62.300 0.119 0.000 0.882 221 V CB 1.909 33.911 31.823 0.299 0.000 1.002 221 V HN 0.628 nan 8.190 nan 0.000 0.424 222 L N 3.729 125.011 121.223 0.099 0.000 2.350 222 L HA 0.754 5.094 4.340 -0.000 0.000 0.275 222 L C 0.509 177.537 176.870 0.264 0.000 1.099 222 L CA -0.334 54.565 54.840 0.098 0.000 0.808 222 L CB 1.389 43.485 42.059 0.062 0.000 1.149 222 L HN 0.755 nan 8.230 nan 0.000 0.442 223 A N 4.142 127.068 122.820 0.177 0.000 2.258 223 A HA 0.583 4.903 4.320 -0.000 0.000 0.316 223 A C -0.873 176.922 177.584 0.351 0.000 1.279 223 A CA -0.438 51.766 52.037 0.278 0.000 0.876 223 A CB 0.898 19.652 19.000 -0.409 0.000 1.170 223 A HN 0.545 nan 8.150 nan 0.000 0.520 224 L N 5.979 127.477 121.223 0.459 0.000 2.276 224 L HA 0.573 4.912 4.340 -0.000 0.000 0.286 224 L C -2.390 174.719 176.870 0.397 0.000 1.024 224 L CA -1.919 53.127 54.840 0.343 0.000 0.826 224 L CB 1.420 43.623 42.059 0.240 0.000 1.211 224 L HN 0.411 nan 8.230 nan 0.000 0.422 225 P HA 0.152 nan 4.420 nan 0.000 0.279 225 P C -1.685 175.546 177.300 -0.115 0.000 1.239 225 P CA 0.007 63.021 63.100 -0.143 0.000 0.789 225 P CB 0.548 32.025 31.700 -0.372 0.000 0.933 226 Y N 0.844 121.019 120.300 -0.208 0.000 2.326 226 Y HA 0.255 4.804 4.550 -0.001 0.000 0.331 226 Y C 0.241 176.025 175.900 -0.194 0.000 0.962 226 Y CA -0.538 57.483 58.100 -0.133 0.000 1.167 226 Y CB 1.512 39.931 38.460 -0.067 0.000 1.148 226 Y HN 0.225 nan 8.280 nan 0.000 0.463 227 D N 2.492 122.850 120.400 -0.069 0.000 2.232 227 D HA 0.352 4.992 4.640 -0.000 0.000 0.242 227 D C -0.655 175.554 176.300 -0.152 0.000 1.093 227 D CA -0.111 53.799 54.000 -0.151 0.000 0.845 227 D CB 1.749 42.426 40.800 -0.205 0.000 1.124 227 D HN 0.373 nan 8.370 nan 0.000 0.467 228 T N 3.025 117.486 114.554 -0.155 0.000 2.841 228 T HA 0.459 4.809 4.350 -0.000 0.000 0.285 228 T C -2.640 171.962 174.700 -0.164 0.000 0.991 228 T CA -1.486 60.543 62.100 -0.119 0.000 0.966 228 T CB 2.050 70.891 68.868 -0.046 0.000 0.962 228 T HN 0.023 nan 8.240 nan 0.000 0.438 229 P HA 0.354 nan 4.420 nan 0.000 0.281 229 P C -0.936 176.332 177.300 -0.054 0.000 1.252 229 P CA -0.499 62.528 63.100 -0.122 0.000 0.778 229 P CB 0.625 32.232 31.700 -0.154 0.000 0.895 230 V N 6.347 126.253 119.914 -0.012 0.000 2.328 230 V HA 0.333 4.452 4.120 -0.000 0.000 0.278 230 V C -1.947 174.143 176.094 -0.007 0.000 1.021 230 V CA -1.925 60.351 62.300 -0.040 0.000 0.838 230 V CB 1.320 33.116 31.823 -0.044 0.000 0.999 230 V HN 0.545 nan 8.190 nan 0.000 0.447 231 P HA 0.300 nan 4.420 nan 0.000 0.285 231 P C 0.153 177.452 177.300 -0.001 0.000 1.259 231 P CA 0.093 63.186 63.100 -0.011 0.000 0.794 231 P CB 1.787 33.468 31.700 -0.032 0.000 0.940 232 G N 2.235 111.041 108.800 0.010 0.000 2.537 232 G HA2 0.196 4.156 3.960 -0.000 0.000 0.273 232 G HA3 0.196 4.156 3.960 -0.000 0.000 0.273 232 G C -1.245 173.685 174.900 0.050 0.000 1.189 232 G CA -0.453 44.668 45.100 0.035 0.000 0.881 232 G HN 0.478 nan 8.290 nan 0.000 0.535 233 Y N 2.088 122.363 120.300 -0.042 0.000 2.531 233 Y HA 0.207 4.757 4.550 -0.001 0.000 0.347 233 Y C 1.230 177.099 175.900 -0.050 0.000 1.024 233 Y CA -0.599 57.470 58.100 -0.053 0.000 1.306 233 Y CB 0.366 38.790 38.460 -0.061 0.000 1.149 233 Y HN 0.478 nan 8.280 nan 0.000 0.527 234 M N 4.097 123.355 119.600 -0.571 0.000 2.545 234 M HA -0.338 4.141 4.480 -0.000 0.000 0.192 234 M C 0.037 176.199 176.300 -0.231 0.000 0.512 234 M CA 1.236 56.246 55.300 -0.483 0.000 0.508 234 M CB -2.057 30.095 32.600 -0.746 0.000 1.844 234 M HN 0.836 nan 8.290 nan 0.000 0.756 235 N N -0.786 117.830 118.700 -0.139 0.000 2.200 235 N HA 0.108 4.847 4.740 -0.000 0.000 0.224 235 N C 0.279 175.735 175.510 -0.089 0.000 1.179 235 N CA 0.118 53.114 53.050 -0.090 0.000 0.877 235 N CB 0.095 38.555 38.487 -0.045 0.000 1.072 235 N HN 0.312 nan 8.380 nan 0.000 0.519 236 N N -0.620 118.026 118.700 -0.090 0.000 2.815 236 N HA -0.147 4.592 4.740 -0.000 0.000 0.247 236 N C -1.003 174.457 175.510 -0.083 0.000 1.030 236 N CA 1.420 54.423 53.050 -0.078 0.000 0.881 236 N CB -1.927 36.508 38.487 -0.086 0.000 1.134 236 N HN 0.400 nan 8.380 nan 0.000 0.582 237 T N 0.899 115.409 114.554 -0.073 0.000 2.733 237 T HA 0.527 4.877 4.350 -0.000 0.000 0.294 237 T C 0.283 174.965 174.700 -0.029 0.000 0.956 237 T CA -0.409 61.646 62.100 -0.075 0.000 0.987 237 T CB 1.789 70.634 68.868 -0.038 0.000 0.920 237 T HN -0.087 nan 8.240 nan 0.000 0.470 238 V N 5.288 125.188 119.914 -0.025 0.000 2.444 238 V HA 0.449 4.569 4.120 -0.000 0.000 0.294 238 V C 0.001 176.152 176.094 0.096 0.000 1.022 238 V CA -1.118 61.223 62.300 0.069 0.000 0.850 238 V CB 1.654 33.577 31.823 0.167 0.000 0.992 238 V HN 0.725 nan 8.190 nan 0.000 0.426 239 N N 1.822 120.581 118.700 0.099 0.000 2.538 239 N HA 0.568 5.308 4.740 -0.000 0.000 0.292 239 N C -0.229 175.383 175.510 0.170 0.000 1.262 239 N CA -0.437 52.648 53.050 0.057 0.000 0.976 239 N CB 1.347 39.805 38.487 -0.049 0.000 1.161 239 N HN 0.623 nan 8.380 nan 0.000 0.598 240 T N 0.858 115.438 114.554 0.043 0.000 2.807 240 T HA 0.425 4.775 4.350 -0.000 0.000 0.279 240 T C -0.218 174.446 174.700 -0.061 0.000 0.993 240 T CA -0.475 61.693 62.100 0.112 0.000 0.970 240 T CB 0.951 70.001 68.868 0.304 0.000 0.950 240 T HN 0.291 nan 8.240 nan 0.000 0.441 241 M N 3.908 123.421 119.600 -0.145 0.000 2.114 241 M HA 0.502 4.982 4.480 -0.000 0.000 0.332 241 M C -0.621 175.475 176.300 -0.340 0.000 1.014 241 M CA -0.767 54.352 55.300 -0.302 0.000 0.956 241 M CB 0.881 33.264 32.600 -0.363 0.000 1.551 241 M HN 0.502 nan 8.290 nan 0.000 0.427 242 R N 5.201 125.388 120.500 -0.522 0.000 2.288 242 R HA 0.522 4.862 4.340 -0.000 0.000 0.326 242 R C -2.009 173.900 176.300 -0.651 0.000 0.959 242 R CA -0.609 55.126 56.100 -0.607 0.000 0.834 242 R CB 0.868 30.707 30.300 -0.769 0.000 1.157 242 R HN 0.604 nan 8.270 nan 0.000 0.470 243 L N 5.130 126.093 121.223 -0.435 0.000 2.307 243 L HA 0.490 4.830 4.340 -0.000 0.000 0.284 243 L C -0.756 175.969 176.870 -0.241 0.000 1.023 243 L CA -0.754 53.923 54.840 -0.271 0.000 0.810 243 L CB 0.980 42.984 42.059 -0.092 0.000 1.231 243 L HN 0.595 nan 8.230 nan 0.000 0.423 244 W N 1.694 123.072 121.300 0.130 0.000 2.376 244 W HA 0.595 5.255 4.660 -0.000 0.000 0.322 244 W C 0.504 177.207 176.519 0.307 0.000 1.160 244 W CA -0.366 57.083 57.345 0.173 0.000 1.218 244 W CB 1.296 30.711 29.460 -0.075 0.000 1.205 244 W HN 0.448 nan 8.180 nan 0.000 0.559 245 S N 1.869 117.943 115.700 0.622 0.000 2.519 245 S HA 0.723 5.193 4.470 -0.000 0.000 0.309 245 S C -0.402 174.477 174.600 0.464 0.000 1.100 245 S CA -0.724 57.739 58.200 0.439 0.000 1.059 245 S CB 0.447 63.875 63.200 0.379 0.000 1.008 245 S HN 0.560 nan 8.310 nan 0.000 0.478 246 A N 5.470 128.401 122.820 0.184 0.000 2.450 246 A HA 0.701 5.021 4.320 -0.000 0.000 0.255 246 A C 0.052 177.675 177.584 0.065 0.000 1.096 246 A CA -0.243 51.770 52.037 -0.042 0.000 0.778 246 A CB 0.214 18.945 19.000 -0.448 0.000 1.031 246 A HN 0.766 nan 8.150 nan 0.000 0.494 247 R N 0.870 121.432 120.500 0.103 0.000 2.698 247 R HA 0.619 4.958 4.340 -0.000 0.000 0.275 247 R C -0.581 175.765 176.300 0.076 0.000 1.001 247 R CA -0.433 55.724 56.100 0.094 0.000 0.896 247 R CB 1.851 32.223 30.300 0.120 0.000 1.218 247 R HN 0.851 nan 8.270 nan 0.000 0.462 248 A N 2.742 125.602 122.820 0.066 0.000 2.354 248 A HA 0.471 4.791 4.320 -0.000 0.000 0.269 248 A C -1.562 176.054 177.584 0.054 0.000 1.109 248 A CA -1.178 50.895 52.037 0.059 0.000 0.800 248 A CB 0.280 19.317 19.000 0.062 0.000 1.045 248 A HN 0.388 nan 8.150 nan 0.000 0.489 249 P HA -0.099 nan 4.420 nan 0.000 0.216 249 P C -0.183 177.137 177.300 0.034 0.000 1.150 249 P CA 1.475 64.588 63.100 0.023 0.000 0.843 249 P CB 0.064 31.765 31.700 0.003 0.000 0.787 250 N N -0.873 117.852 118.700 0.042 0.000 2.664 250 N HA 0.059 4.799 4.740 -0.000 0.000 0.257 250 N C -0.420 175.136 175.510 0.078 0.000 1.108 250 N CA -0.296 52.785 53.050 0.053 0.000 0.822 250 N CB 0.402 38.906 38.487 0.029 0.000 1.199 250 N HN -0.038 nan 8.380 nan 0.000 0.529 251 D N 0.516 120.980 120.400 0.108 0.000 2.378 251 D HA -0.064 4.575 4.640 -0.000 0.000 0.227 251 D C -0.356 176.089 176.300 0.241 0.000 1.012 251 D CA 0.467 54.550 54.000 0.139 0.000 0.905 251 D CB 0.010 40.880 40.800 0.118 0.000 0.895 251 D HN 0.296 nan 8.370 nan 0.000 0.532 252 F N 0.526 120.500 119.950 0.039 0.000 2.651 252 F HA 0.307 4.834 4.527 -0.000 0.000 0.329 252 F C -1.778 174.052 175.800 0.049 0.000 1.186 252 F CA -1.272 56.758 58.000 0.049 0.000 1.046 252 F CB 1.242 40.257 39.000 0.025 0.000 1.296 252 F HN -0.232 nan 8.300 nan 0.000 0.497 253 N N 7.436 125.739 118.700 -0.661 0.000 2.457 253 N HA 0.216 4.956 4.740 -0.000 0.000 0.250 253 N C 0.633 175.592 175.510 -0.918 0.000 0.982 253 N CA -0.212 52.498 53.050 -0.565 0.000 0.941 253 N CB 1.470 39.805 38.487 -0.253 0.000 1.120 253 N HN 1.021 nan 8.380 nan 0.000 0.505 254 L N 3.539 124.348 121.223 -0.690 0.000 2.056 254 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 254 L C 1.990 178.790 176.870 -0.116 0.000 1.078 254 L CA 1.066 55.684 54.840 -0.371 0.000 0.749 254 L CB 0.029 42.040 42.059 -0.079 0.000 0.901 254 L HN 0.493 nan 8.230 nan 0.000 0.433 255 R N 0.446 120.879 120.500 -0.112 0.000 2.103 255 R HA -0.193 4.146 4.340 -0.000 0.000 0.242 255 R C 1.790 178.061 176.300 -0.048 0.000 1.142 255 R CA 1.787 57.855 56.100 -0.054 0.000 0.960 255 R CB -0.706 29.559 30.300 -0.058 0.000 0.858 255 R HN 0.438 nan 8.270 nan 0.000 0.439 256 D N -1.120 119.231 120.400 -0.082 0.000 2.183 256 D HA -0.121 4.519 4.640 -0.000 0.000 0.203 256 D C 1.600 177.858 176.300 -0.069 0.000 0.969 256 D CA 0.737 54.687 54.000 -0.082 0.000 0.842 256 D CB -0.233 40.516 40.800 -0.084 0.000 0.957 256 D HN 0.163 nan 8.370 nan 0.000 0.484 257 F N 1.669 121.559 119.950 -0.099 0.000 2.186 257 F HA -0.076 4.451 4.527 -0.000 0.000 0.299 257 F C 1.808 177.626 175.800 0.029 0.000 1.090 257 F CA 1.168 59.205 58.000 0.063 0.000 1.307 257 F CB -0.099 39.068 39.000 0.279 0.000 1.019 257 F HN -0.085 nan 8.300 nan 0.000 0.489 258 N N -0.625 118.193 118.700 0.197 0.000 2.331 258 N HA -0.117 4.622 4.740 -0.000 0.000 0.180 258 N C 1.500 176.995 175.510 -0.025 0.000 1.019 258 N CA 1.023 54.146 53.050 0.121 0.000 0.881 258 N CB 0.063 38.612 38.487 0.103 0.000 0.972 258 N HN 0.123 nan 8.380 nan 0.000 0.435 259 V N -0.361 119.494 119.914 -0.100 0.000 3.406 259 V HA 0.169 4.289 4.120 -0.000 0.000 0.263 259 V C 1.542 177.472 176.094 -0.272 0.000 1.172 259 V CA 1.027 63.241 62.300 -0.143 0.000 1.140 259 V CB -0.151 31.601 31.823 -0.119 0.000 0.784 259 V HN 0.506 nan 8.190 nan 0.000 0.467 260 G N 0.801 109.298 108.800 -0.504 0.000 2.159 260 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.227 260 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.227 260 G C -0.159 174.138 174.900 -1.005 0.000 0.986 260 G CA 0.051 44.581 45.100 -0.950 0.000 0.651 260 G HN 0.505 nan 8.290 nan 0.000 0.523 261 D N 0.671 120.717 120.400 -0.591 0.000 2.688 261 D HA 0.332 4.972 4.640 -0.000 0.000 0.228 261 D C 1.189 177.337 176.300 -0.252 0.000 1.116 261 D CA -0.344 53.456 54.000 -0.334 0.000 1.023 261 D CB -0.489 40.206 40.800 -0.175 0.000 1.100 261 D HN 0.562 nan 8.370 nan 0.000 0.487 262 Y N -0.092 120.141 120.300 -0.112 0.000 2.403 262 Y HA -0.156 4.394 4.550 -0.000 0.000 0.291 262 Y C 1.766 177.688 175.900 0.036 0.000 1.143 262 Y CA 0.112 58.170 58.100 -0.070 0.000 1.257 262 Y CB -0.051 38.334 38.460 -0.125 0.000 0.984 262 Y HN 0.193 nan 8.280 nan 0.000 0.550 263 I N -1.025 119.624 120.570 0.132 0.000 2.429 263 I HA -0.169 4.000 4.170 -0.000 0.000 0.247 263 I C 2.322 178.487 176.117 0.081 0.000 1.099 263 I CA 0.866 62.228 61.300 0.104 0.000 1.422 263 I CB -0.697 37.342 38.000 0.064 0.000 1.112 263 I HN 0.066 nan 8.210 nan 0.000 0.430 264 Q N 0.863 120.685 119.800 0.036 0.000 2.061 264 Q HA -0.156 4.183 4.340 -0.000 0.000 0.204 264 Q C 2.464 178.482 176.000 0.030 0.000 0.984 264 Q CA 1.978 57.790 55.803 0.015 0.000 0.846 264 Q CB -0.561 28.162 28.738 -0.026 0.000 0.902 264 Q HN 0.530 nan 8.270 nan 0.000 0.421 265 A N -0.199 122.651 122.820 0.050 0.000 1.958 265 A HA -0.132 4.188 4.320 -0.000 0.000 0.221 265 A C 1.847 179.503 177.584 0.121 0.000 1.178 265 A CA 1.726 53.791 52.037 0.046 0.000 0.642 265 A CB -0.132 18.990 19.000 0.203 0.000 0.816 265 A HN 0.219 nan 8.150 nan 0.000 0.453 266 V N -0.179 119.851 119.914 0.193 0.000 3.006 266 V HA 0.091 4.211 4.120 -0.000 0.000 0.357 266 V C 1.501 177.670 176.094 0.124 0.000 1.377 266 V CA 0.314 62.735 62.300 0.201 0.000 1.198 266 V CB 0.336 32.313 31.823 0.257 0.000 1.216 266 V HN 0.519 nan 8.190 nan 0.000 0.520 267 L N 0.933 122.208 121.223 0.087 0.000 1.994 267 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 267 L C 1.979 178.883 176.870 0.057 0.000 1.071 267 L CA 2.254 57.131 54.840 0.061 0.000 0.745 267 L CB -0.454 41.628 42.059 0.038 0.000 0.892 267 L HN 0.306 nan 8.230 nan 0.000 0.431 268 D N -0.731 119.701 120.400 0.053 0.000 2.218 268 D HA -0.197 4.443 4.640 -0.000 0.000 0.204 268 D C 2.245 178.580 176.300 0.059 0.000 0.976 268 D CA 0.941 54.971 54.000 0.051 0.000 0.853 268 D CB -0.187 40.641 40.800 0.047 0.000 0.939 268 D HN 0.381 nan 8.370 nan 0.000 0.481 269 R N 0.631 121.176 120.500 0.075 0.000 2.070 269 R HA -0.176 4.163 4.340 -0.000 0.000 0.233 269 R C 1.969 178.308 176.300 0.065 0.000 1.137 269 R CA 1.716 57.864 56.100 0.079 0.000 0.945 269 R CB -0.193 30.169 30.300 0.103 0.000 0.845 269 R HN 0.115 nan 8.270 nan 0.000 0.430 270 N N -0.143 118.596 118.700 0.065 0.000 2.058 270 N HA -0.199 4.541 4.740 -0.000 0.000 0.191 270 N C 1.841 177.374 175.510 0.039 0.000 1.037 270 N CA 1.245 54.329 53.050 0.057 0.000 0.848 270 N CB -0.197 38.326 38.487 0.060 0.000 1.021 270 N HN 0.168 nan 8.380 nan 0.000 0.422 271 L N 0.763 122.007 121.223 0.034 0.000 1.990 271 L HA -0.154 4.186 4.340 -0.000 0.000 0.213 271 L C 2.266 179.127 176.870 -0.016 0.000 1.072 271 L CA 2.222 57.071 54.840 0.015 0.000 0.755 271 L CB -1.106 40.967 42.059 0.023 0.000 0.889 271 L HN 0.336 nan 8.230 nan 0.000 0.432 272 A N -1.019 121.798 122.820 -0.005 0.000 1.883 272 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 272 A C 2.115 179.652 177.584 -0.079 0.000 1.186 272 A CA 1.925 53.941 52.037 -0.036 0.000 0.624 272 A CB -0.720 18.285 19.000 0.009 0.000 0.822 272 A HN 0.633 nan 8.150 nan 0.000 0.444 273 E N 0.023 120.211 120.200 -0.021 0.000 2.338 273 E HA -0.111 4.239 4.350 -0.000 0.000 0.197 273 E C 1.377 177.979 176.600 0.004 0.000 1.007 273 E CA 0.449 56.845 56.400 -0.005 0.000 0.849 273 E CB -0.162 29.564 29.700 0.044 0.000 0.774 273 E HN 0.528 nan 8.360 nan 0.000 0.506 274 N N 0.896 119.594 118.700 -0.004 0.000 2.223 274 N HA -0.117 4.622 4.740 -0.000 0.000 0.185 274 N C 1.797 177.307 175.510 -0.000 0.000 1.016 274 N CA 0.798 53.860 53.050 0.020 0.000 0.863 274 N CB -0.010 38.483 38.487 0.009 0.000 0.983 274 N HN 0.250 nan 8.380 nan 0.000 0.429 275 I N 0.879 121.392 120.570 -0.095 0.000 2.091 275 I HA -0.256 3.913 4.170 -0.000 0.000 0.239 275 I C 1.661 177.754 176.117 -0.040 0.000 1.061 275 I CA 1.385 62.595 61.300 -0.150 0.000 1.317 275 I CB -0.356 37.379 38.000 -0.441 0.000 1.031 275 I HN 0.125 nan 8.210 nan 0.000 0.401 276 S N 0.063 115.727 115.700 -0.061 0.000 2.622 276 S HA 0.156 4.626 4.470 -0.000 0.000 0.236 276 S C 1.426 176.129 174.600 0.172 0.000 0.956 276 S CA -0.460 57.766 58.200 0.044 0.000 0.971 276 S CB 0.077 63.287 63.200 0.015 0.000 0.782 276 S HN 0.279 nan 8.310 nan 0.000 0.468 277 R N 1.677 122.298 120.500 0.202 0.000 2.056 277 R HA 0.124 4.464 4.340 -0.000 0.000 0.227 277 R C 0.706 177.234 176.300 0.381 0.000 1.149 277 R CA 1.626 57.896 56.100 0.283 0.000 0.937 277 R CB -0.198 30.240 30.300 0.229 0.000 0.835 277 R HN 0.498 nan 8.270 nan 0.000 0.430 278 V N -1.195 118.904 119.914 0.308 0.000 3.074 278 V HA 0.478 4.598 4.120 -0.000 0.000 0.314 278 V C -0.942 175.135 176.094 -0.029 0.000 1.117 278 V CA -1.491 60.932 62.300 0.205 0.000 1.014 278 V CB 1.657 33.576 31.823 0.161 0.000 1.057 278 V HN 0.118 nan 8.190 nan 0.000 0.438 279 L N 3.754 124.705 121.223 -0.453 0.000 2.305 279 L HA 0.568 4.908 4.340 -0.000 0.000 0.281 279 L C -0.364 176.280 176.870 -0.377 0.000 1.085 279 L CA 0.079 54.342 54.840 -0.963 0.000 0.813 279 L CB -0.657 40.678 42.059 -1.206 0.000 1.157 279 L HN 0.807 nan 8.230 nan 0.000 0.436 280 Y N 4.181 124.370 120.300 -0.184 0.000 3.057 280 Y HA -0.195 4.355 4.550 -0.001 0.000 0.192 280 Y C -1.795 174.093 175.900 -0.019 0.000 1.448 280 Y CA -0.317 57.733 58.100 -0.083 0.000 1.065 280 Y CB -1.629 36.781 38.460 -0.084 0.000 1.369 280 Y HN 0.550 nan 8.280 nan 0.000 0.460 281 P HA -0.082 nan 4.420 nan 0.000 0.269 281 P C -0.202 177.132 177.300 0.057 0.000 1.209 281 P CA 0.065 63.216 63.100 0.086 0.000 0.776 281 P CB 0.609 32.340 31.700 0.053 0.000 0.876 282 N N 2.135 120.877 118.700 0.070 0.000 2.347 282 N HA -0.098 4.642 4.740 -0.000 0.000 0.278 282 N C 0.590 176.011 175.510 -0.149 0.000 1.367 282 N CA 0.018 53.105 53.050 0.063 0.000 0.898 282 N CB 0.085 38.714 38.487 0.237 0.000 1.203 282 N HN 0.471 nan 8.380 nan 0.000 0.491 283 D N 1.347 121.684 120.400 -0.105 0.000 2.328 283 D HA -0.032 4.608 4.640 -0.000 0.000 0.221 283 D C 0.223 176.447 176.300 -0.127 0.000 1.072 283 D CA 0.110 54.002 54.000 -0.181 0.000 0.850 283 D CB -0.213 40.541 40.800 -0.078 0.000 0.922 283 D HN 0.302 nan 8.370 nan 0.000 0.516 284 N N -0.027 118.686 118.700 0.023 0.000 2.666 284 N HA 0.083 4.823 4.740 -0.000 0.000 0.194 284 N C -0.607 175.119 175.510 0.361 0.000 1.220 284 N CA 0.356 53.524 53.050 0.197 0.000 0.928 284 N CB -0.358 38.283 38.487 0.257 0.000 0.997 284 N HN 0.476 nan 8.380 nan 0.000 0.447 285 F N -5.822 114.177 119.950 0.080 0.000 2.678 285 F HA 0.300 4.827 4.527 -0.000 0.000 0.308 285 F C 0.741 176.636 175.800 0.158 0.000 1.118 285 F CA -1.625 56.447 58.000 0.121 0.000 0.959 285 F CB 0.412 39.478 39.000 0.110 0.000 1.305 285 F HN -0.200 nan 8.300 nan 0.000 0.443 286 F N 1.650 121.695 119.950 0.158 0.000 2.063 286 F HA -0.262 4.265 4.527 -0.000 0.000 0.297 286 F C 1.988 177.799 175.800 0.018 0.000 1.099 286 F CA 2.755 60.811 58.000 0.093 0.000 1.220 286 F CB -0.088 38.989 39.000 0.128 0.000 0.972 286 F HN 0.713 nan 8.300 nan 0.000 0.487 287 E N 0.249 120.567 120.200 0.198 0.000 2.049 287 E HA -0.149 4.201 4.350 -0.000 0.000 0.198 287 E C 2.483 178.905 176.600 -0.297 0.000 1.007 287 E CA 1.577 58.009 56.400 0.054 0.000 0.809 287 E CB -1.235 28.712 29.700 0.412 0.000 0.749 287 E HN 0.548 nan 8.360 nan 0.000 0.450 288 G N 0.321 108.652 108.800 -0.782 0.000 2.448 288 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 288 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 288 G C 1.479 176.162 174.900 -0.363 0.000 1.135 288 G CA 0.733 45.427 45.100 -0.676 0.000 0.784 288 G HN 0.178 nan 8.290 nan 0.000 0.543 289 K N 0.432 120.629 120.400 -0.339 0.000 2.025 289 K HA -0.057 4.262 4.320 -0.000 0.000 0.207 289 K C 2.292 178.862 176.600 -0.050 0.000 1.049 289 K CA 1.367 57.606 56.287 -0.079 0.000 0.933 289 K CB -0.198 32.283 32.500 -0.032 0.000 0.714 289 K HN 0.369 nan 8.250 nan 0.000 0.438 290 E N 0.440 120.422 120.200 -0.363 0.000 2.153 290 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 290 E C 1.969 178.398 176.600 -0.285 0.000 0.988 290 E CA 0.741 56.876 56.400 -0.442 0.000 0.811 290 E CB 0.029 29.308 29.700 -0.702 0.000 0.746 290 E HN 0.219 nan 8.360 nan 0.000 0.466 291 L N 1.117 122.218 121.223 -0.202 0.000 2.093 291 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 291 L C 2.182 179.026 176.870 -0.043 0.000 1.085 291 L CA 1.514 56.277 54.840 -0.128 0.000 0.755 291 L CB -0.206 41.800 42.059 -0.089 0.000 0.904 291 L HN -0.012 nan 8.230 nan 0.000 0.435 292 R N -1.111 119.412 120.500 0.037 0.000 2.092 292 R HA -0.128 4.212 4.340 -0.000 0.000 0.231 292 R C 2.124 178.514 176.300 0.151 0.000 1.119 292 R CA 1.426 57.628 56.100 0.170 0.000 0.970 292 R CB -0.559 29.928 30.300 0.311 0.000 0.864 292 R HN 0.302 nan 8.270 nan 0.000 0.440 293 L N 1.702 122.876 121.223 -0.082 0.000 2.056 293 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 293 L C 1.848 178.641 176.870 -0.129 0.000 1.078 293 L CA 1.818 56.408 54.840 -0.416 0.000 0.749 293 L CB -0.228 41.244 42.059 -0.978 0.000 0.901 293 L HN -0.030 nan 8.230 nan 0.000 0.433 294 K N -0.878 119.452 120.400 -0.117 0.000 2.057 294 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 294 K C 2.077 178.800 176.600 0.205 0.000 1.049 294 K CA 1.754 58.032 56.287 -0.015 0.000 0.931 294 K CB -0.251 32.025 32.500 -0.373 0.000 0.714 294 K HN 0.521 nan 8.250 nan 0.000 0.440 295 Q N 0.767 120.646 119.800 0.132 0.000 2.084 295 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 295 Q C 1.979 178.146 176.000 0.278 0.000 0.978 295 Q CA 1.380 57.318 55.803 0.225 0.000 0.844 295 Q CB 0.018 28.874 28.738 0.197 0.000 0.898 295 Q HN 0.396 nan 8.270 nan 0.000 0.426 296 E N -0.291 120.041 120.200 0.221 0.000 2.072 296 E HA -0.202 4.147 4.350 -0.000 0.000 0.191 296 E C 1.732 178.438 176.600 0.178 0.000 0.985 296 E CA 0.932 57.458 56.400 0.209 0.000 0.801 296 E CB -0.136 29.694 29.700 0.215 0.000 0.750 296 E HN 0.318 nan 8.360 nan 0.000 0.452 297 Y N 0.654 120.993 120.300 0.066 0.000 2.200 297 Y HA -0.228 4.321 4.550 -0.000 0.000 0.290 297 Y C 1.999 177.920 175.900 0.036 0.000 1.137 297 Y CA 1.003 59.099 58.100 -0.007 0.000 1.163 297 Y CB -0.466 37.978 38.460 -0.026 0.000 0.988 297 Y HN 0.001 nan 8.280 nan 0.000 0.518 298 F N 0.202 120.110 119.950 -0.069 0.000 2.063 298 F HA -0.308 4.219 4.527 -0.000 0.000 0.298 298 F C 2.216 177.852 175.800 -0.274 0.000 1.109 298 F CA 2.455 60.366 58.000 -0.149 0.000 1.212 298 F CB -0.929 38.120 39.000 0.083 0.000 0.973 298 F HN -0.094 nan 8.300 nan 0.000 0.480 299 V N -0.781 119.026 119.914 -0.178 0.000 2.343 299 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 299 V C 2.428 178.356 176.094 -0.276 0.000 1.051 299 V CA 1.551 63.749 62.300 -0.169 0.000 1.036 299 V CB -1.454 30.452 31.823 0.139 0.000 0.654 299 V HN 0.299 nan 8.190 nan 0.000 0.451 300 V N 0.539 120.304 119.914 -0.248 0.000 2.237 300 V HA -0.256 3.863 4.120 -0.000 0.000 0.245 300 V C 2.876 178.714 176.094 -0.426 0.000 1.046 300 V CA 2.321 64.469 62.300 -0.253 0.000 1.007 300 V CB -1.222 30.503 31.823 -0.163 0.000 0.638 300 V HN 0.552 nan 8.190 nan 0.000 0.445 301 A N -0.125 122.271 122.820 -0.706 0.000 1.873 301 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 301 A C 2.400 179.599 177.584 -0.643 0.000 1.193 301 A CA 2.690 54.300 52.037 -0.713 0.000 0.629 301 A CB -1.014 17.342 19.000 -1.073 0.000 0.826 301 A HN 0.629 nan 8.150 nan 0.000 0.447 302 A N -1.397 120.874 122.820 -0.915 0.000 1.873 302 A HA -0.060 4.259 4.320 -0.000 0.000 0.215 302 A C 2.328 179.341 177.584 -0.951 0.000 1.186 302 A CA 2.309 53.603 52.037 -1.237 0.000 0.616 302 A CB -1.328 16.370 19.000 -2.170 0.000 0.823 302 A HN 0.447 nan 8.150 nan 0.000 0.442 303 T N 0.679 114.846 114.554 -0.645 0.000 2.684 303 T HA -0.117 4.232 4.350 -0.000 0.000 0.267 303 T C 1.832 176.320 174.700 -0.353 0.000 1.036 303 T CA 1.555 63.506 62.100 -0.248 0.000 1.148 303 T CB -0.441 68.303 68.868 -0.206 0.000 0.863 303 T HN 0.360 nan 8.240 nan 0.000 0.436 304 L N 0.742 121.772 121.223 -0.322 0.000 2.046 304 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 304 L C 2.941 179.687 176.870 -0.206 0.000 1.077 304 L CA 1.458 56.141 54.840 -0.262 0.000 0.747 304 L CB -0.654 41.279 42.059 -0.211 0.000 0.896 304 L HN 0.348 nan 8.230 nan 0.000 0.432 305 Q N -0.384 119.293 119.800 -0.204 0.000 2.096 305 Q HA -0.263 4.077 4.340 -0.000 0.000 0.204 305 Q C 1.821 177.832 176.000 0.018 0.000 0.982 305 Q CA 1.886 57.624 55.803 -0.109 0.000 0.850 305 Q CB -0.173 28.465 28.738 -0.166 0.000 0.901 305 Q HN 0.426 nan 8.270 nan 0.000 0.422 306 D N 0.549 120.980 120.400 0.050 0.000 2.117 306 D HA -0.113 4.526 4.640 -0.000 0.000 0.197 306 D C 1.685 178.047 176.300 0.103 0.000 0.987 306 D CA 0.934 55.092 54.000 0.263 0.000 0.829 306 D CB -0.039 41.081 40.800 0.533 0.000 0.961 306 D HN 0.169 nan 8.370 nan 0.000 0.460 307 I N 0.440 120.925 120.570 -0.141 0.000 2.226 307 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 307 I C 2.117 178.275 176.117 0.069 0.000 1.100 307 I CA 0.475 61.607 61.300 -0.279 0.000 1.374 307 I CB -0.203 37.399 38.000 -0.663 0.000 1.057 307 I HN 0.115 nan 8.210 nan 0.000 0.413 308 I N 0.540 121.195 120.570 0.141 0.000 2.226 308 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 308 I C 2.655 178.988 176.117 0.360 0.000 1.100 308 I CA 1.472 62.978 61.300 0.343 0.000 1.374 308 I CB -1.324 36.798 38.000 0.204 0.000 1.057 308 I HN 0.338 nan 8.210 nan 0.000 0.413 309 R N 1.167 121.814 120.500 0.245 0.000 2.082 309 R HA -0.218 4.121 4.340 -0.000 0.000 0.234 309 R C 2.489 178.906 176.300 0.195 0.000 1.136 309 R CA 2.009 58.245 56.100 0.226 0.000 0.935 309 R CB -0.300 30.158 30.300 0.264 0.000 0.842 309 R HN 0.227 nan 8.270 nan 0.000 0.430 310 R N -0.543 120.072 120.500 0.191 0.000 2.115 310 R HA -0.158 4.182 4.340 -0.000 0.000 0.230 310 R C 2.194 178.595 176.300 0.169 0.000 1.111 310 R CA 1.505 57.707 56.100 0.169 0.000 0.976 310 R CB -0.389 30.014 30.300 0.171 0.000 0.870 310 R HN 0.258 nan 8.270 nan 0.000 0.445 311 F N 1.495 121.510 119.950 0.108 0.000 2.060 311 F HA -0.118 4.408 4.527 -0.001 0.000 0.295 311 F C 1.729 177.558 175.800 0.048 0.000 1.120 311 F CA 1.669 59.728 58.000 0.098 0.000 1.205 311 F CB -0.140 38.993 39.000 0.221 0.000 0.986 311 F HN -0.129 nan 8.300 nan 0.000 0.470 312 K N 0.328 120.712 120.400 -0.026 0.000 2.074 312 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 312 K C 2.191 178.676 176.600 -0.192 0.000 1.048 312 K CA 1.437 57.611 56.287 -0.188 0.000 0.926 312 K CB -0.656 31.862 32.500 0.030 0.000 0.713 312 K HN 0.377 nan 8.250 nan 0.000 0.444 313 A N 1.711 124.499 122.820 -0.053 0.000 2.121 313 A HA -0.058 4.261 4.320 -0.000 0.000 0.218 313 A C 1.098 178.686 177.584 0.006 0.000 1.154 313 A CA 0.642 52.687 52.037 0.015 0.000 0.679 313 A CB -0.528 18.530 19.000 0.096 0.000 0.795 313 A HN 0.399 nan 8.150 nan 0.000 0.458 314 S N -0.576 115.035 115.700 -0.148 0.000 2.566 314 S HA 0.092 4.562 4.470 -0.000 0.000 0.280 314 S C 0.893 175.301 174.600 -0.319 0.000 1.343 314 S CA 0.269 58.303 58.200 -0.276 0.000 1.036 314 S CB 0.805 63.823 63.200 -0.304 0.000 0.866 314 S HN 0.432 nan 8.310 nan 0.000 0.526 315 K N 0.749 120.865 120.400 -0.473 0.000 2.001 315 K HA -0.200 4.120 4.320 -0.000 0.000 0.223 315 K C 1.735 178.277 176.600 -0.097 0.000 1.055 315 K CA 2.394 58.507 56.287 -0.289 0.000 0.965 315 K CB -0.425 31.884 32.500 -0.318 0.000 0.730 315 K HN 0.775 nan 8.250 nan 0.000 0.449 316 F N 1.300 121.109 119.950 -0.234 0.000 2.502 316 F HA 0.059 4.585 4.527 -0.000 0.000 0.298 316 F C 1.036 176.703 175.800 -0.222 0.000 1.111 316 F CA -0.118 57.775 58.000 -0.179 0.000 1.445 316 F CB 0.042 38.959 39.000 -0.139 0.000 1.081 316 F HN 0.009 nan 8.300 nan 0.000 0.558 317 G N 0.253 108.830 108.800 -0.373 0.000 2.544 317 G HA2 0.238 4.197 3.960 -0.000 0.000 0.242 317 G HA3 0.238 4.197 3.960 -0.000 0.000 0.242 317 G C -0.254 174.364 174.900 -0.470 0.000 1.247 317 G CA 0.167 44.904 45.100 -0.604 0.000 0.840 317 G HN 0.307 nan 8.290 nan 0.000 0.578 318 S N -0.773 114.644 115.700 -0.473 0.000 3.418 318 S HA 0.019 4.489 4.470 -0.000 0.000 0.857 318 S C 0.442 174.888 174.600 -0.258 0.000 1.161 318 S CA 1.489 59.501 58.200 -0.313 0.000 0.994 318 S CB -0.802 62.263 63.200 -0.226 0.000 0.757 318 S HN 2.364 nan 8.310 nan 0.000 0.273 319 T N 1.651 116.080 114.554 -0.208 0.000 2.578 319 T HA 0.121 4.471 4.350 -0.000 0.000 0.195 319 T C -1.087 173.532 174.700 -0.136 0.000 2.123 319 T CA -0.631 61.377 62.100 -0.152 0.000 1.007 319 T CB -0.015 68.759 68.868 -0.156 0.000 2.431 319 T HN 0.917 nan 8.240 nan 0.000 0.337 320 R N 0.792 121.231 120.500 -0.102 0.000 2.287 320 R HA 0.726 5.065 4.340 -0.000 0.000 0.316 320 R C 0.660 176.913 176.300 -0.077 0.000 1.050 320 R CA 0.579 56.633 56.100 -0.077 0.000 0.983 320 R CB 0.286 30.560 30.300 -0.044 0.000 1.140 320 R HN 1.014 nan 8.270 nan 0.000 0.528 321 G N 1.074 109.813 108.800 -0.100 0.000 2.920 321 G HA2 0.039 3.999 3.960 -0.000 0.000 0.215 321 G HA3 0.039 3.999 3.960 -0.000 0.000 0.215 321 G C 0.654 175.497 174.900 -0.094 0.000 1.523 321 G CA 0.272 45.315 45.100 -0.094 0.000 0.667 321 G HN 0.496 nan 8.290 nan 0.000 1.029 322 A N 0.887 123.626 122.820 -0.135 0.000 2.259 322 A HA 0.402 4.722 4.320 -0.000 0.000 0.212 322 A C 2.404 179.941 177.584 -0.077 0.000 1.178 322 A CA 1.618 53.557 52.037 -0.164 0.000 0.734 322 A CB -1.082 17.765 19.000 -0.256 0.000 0.774 322 A HN 1.870 nan 8.150 nan 0.000 0.481 323 G N -0.783 107.989 108.800 -0.046 0.000 2.879 323 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.353 323 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.353 323 G C 0.560 175.450 174.900 -0.017 0.000 1.182 323 G CA 1.142 46.231 45.100 -0.018 0.000 0.957 323 G HN 0.921 nan 8.290 nan 0.000 0.587 324 T N 1.634 116.185 114.554 -0.004 0.000 2.756 324 T HA 0.466 4.815 4.350 -0.000 0.000 0.290 324 T C 1.684 176.377 174.700 -0.011 0.000 0.985 324 T CA 0.258 62.368 62.100 0.017 0.000 0.955 324 T CB 1.702 70.594 68.868 0.040 0.000 0.930 324 T HN 1.319 nan 8.240 nan 0.000 0.451 325 V N 0.825 120.681 119.914 -0.097 0.000 2.688 325 V HA -0.103 4.017 4.120 -0.000 0.000 0.256 325 V C 1.403 177.447 176.094 -0.083 0.000 1.084 325 V CA 1.520 63.700 62.300 -0.202 0.000 1.103 325 V CB -1.231 30.361 31.823 -0.386 0.000 0.688 325 V HN 0.811 nan 8.190 nan 0.000 0.480 326 F N 0.564 120.602 119.950 0.147 0.000 2.765 326 F HA 0.211 4.738 4.527 -0.000 0.000 0.302 326 F C 1.941 177.723 175.800 -0.029 0.000 1.111 326 F CA 0.323 58.332 58.000 0.015 0.000 1.359 326 F CB -0.316 38.509 39.000 -0.292 0.000 1.097 326 F HN 0.117 nan 8.300 nan 0.000 0.577 327 D N 0.858 121.336 120.400 0.130 0.000 2.144 327 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 327 D C 2.167 178.541 176.300 0.124 0.000 0.984 327 D CA 1.326 55.375 54.000 0.082 0.000 0.834 327 D CB -0.129 40.708 40.800 0.061 0.000 0.955 327 D HN 0.278 nan 8.370 nan 0.000 0.465 328 A N -0.514 122.426 122.820 0.200 0.000 2.307 328 A HA 0.096 4.415 4.320 -0.000 0.000 0.218 328 A C 1.570 179.293 177.584 0.232 0.000 1.228 328 A CA -0.381 51.791 52.037 0.224 0.000 0.857 328 A CB -0.639 18.532 19.000 0.286 0.000 0.897 328 A HN 0.104 nan 8.150 nan 0.000 0.495 329 F N 2.496 122.424 119.950 -0.037 0.000 2.043 329 F HA -0.166 4.360 4.527 -0.000 0.000 0.297 329 F C -0.489 175.221 175.800 -0.150 0.000 1.118 329 F CA 2.715 60.513 58.000 -0.337 0.000 1.202 329 F CB -0.489 38.336 39.000 -0.292 0.000 0.965 329 F HN 0.232 nan 8.300 nan 0.000 0.482 330 P HA -0.089 nan 4.420 nan 0.000 0.234 330 P C 0.227 177.470 177.300 -0.096 0.000 1.167 330 P CA 1.354 64.397 63.100 -0.095 0.000 0.763 330 P CB -0.124 31.555 31.700 -0.035 0.000 0.835 331 D N -0.803 119.575 120.400 -0.036 0.000 2.367 331 D HA 0.010 4.650 4.640 -0.000 0.000 0.207 331 D C 1.678 177.978 176.300 0.000 0.000 1.034 331 D CA 0.591 54.590 54.000 -0.002 0.000 0.861 331 D CB 0.352 41.180 40.800 0.047 0.000 0.943 331 D HN 0.189 nan 8.370 nan 0.000 0.515 332 Q N -0.005 119.780 119.800 -0.024 0.000 2.245 332 Q HA 0.193 4.533 4.340 -0.000 0.000 0.236 332 Q C -0.087 175.848 176.000 -0.108 0.000 0.842 332 Q CA 0.203 56.013 55.803 0.013 0.000 0.945 332 Q CB 2.607 31.500 28.738 0.257 0.000 1.122 332 Q HN 0.032 nan 8.270 nan 0.000 0.506 333 V N 0.465 120.193 119.914 -0.309 0.000 2.760 333 V HA 0.824 4.943 4.120 -0.000 0.000 0.309 333 V C -1.119 174.823 176.094 -0.254 0.000 1.077 333 V CA -1.019 61.072 62.300 -0.348 0.000 0.910 333 V CB 1.985 33.265 31.823 -0.905 0.000 1.008 333 V HN 0.081 nan 8.190 nan 0.000 0.424 334 A N 5.351 128.100 122.820 -0.119 0.000 2.375 334 A HA 0.898 5.218 4.320 -0.000 0.000 0.295 334 A C -1.119 176.443 177.584 -0.037 0.000 1.066 334 A CA -0.371 51.629 52.037 -0.063 0.000 0.722 334 A CB 0.998 19.972 19.000 -0.043 0.000 1.206 334 A HN 0.745 nan 8.150 nan 0.000 0.435 335 I N 1.967 122.533 120.570 -0.006 0.000 2.382 335 I HA 0.304 4.473 4.170 -0.000 0.000 0.286 335 I C -0.253 176.014 176.117 0.249 0.000 1.002 335 I CA -0.686 60.668 61.300 0.090 0.000 1.135 335 I CB 1.936 39.930 38.000 -0.010 0.000 1.288 335 I HN 0.683 nan 8.210 nan 0.000 0.448 336 Q N 5.606 125.535 119.800 0.214 0.000 2.296 336 Q HA 0.377 4.717 4.340 -0.000 0.000 0.257 336 Q C -1.190 174.872 176.000 0.103 0.000 0.942 336 Q CA -0.386 55.573 55.803 0.260 0.000 0.939 336 Q CB 1.190 30.127 28.738 0.331 0.000 1.198 336 Q HN 0.472 nan 8.270 nan 0.000 0.429 337 L N 4.711 126.053 121.223 0.198 0.000 2.328 337 L HA 0.287 4.626 4.340 -0.000 0.000 0.280 337 L C -0.468 176.497 176.870 0.158 0.000 1.111 337 L CA -0.073 54.866 54.840 0.165 0.000 0.909 337 L CB 0.088 42.268 42.059 0.202 0.000 1.277 337 L HN 0.577 nan 8.230 nan 0.000 0.433 338 N N 3.960 122.676 118.700 0.027 0.000 2.402 338 N HA 0.103 4.843 4.740 -0.000 0.000 0.259 338 N C 0.009 175.620 175.510 0.168 0.000 1.167 338 N CA 0.593 53.711 53.050 0.113 0.000 0.949 338 N CB 0.026 38.515 38.487 0.002 0.000 1.212 338 N HN 0.564 nan 8.380 nan 0.000 0.493 339 D N 0.137 120.703 120.400 0.278 0.000 4.199 339 D HA -0.219 4.421 4.640 -0.000 0.000 0.291 339 D C 0.252 176.668 176.300 0.194 0.000 2.213 339 D CA 1.507 55.624 54.000 0.196 0.000 1.174 339 D CB -0.645 40.049 40.800 -0.178 0.000 1.012 339 D HN 0.521 nan 8.370 nan 0.000 1.213 340 T N -2.702 111.836 114.554 -0.026 0.000 3.086 340 T HA 0.149 4.498 4.350 -0.000 0.000 0.250 340 T C 1.621 176.336 174.700 0.026 0.000 1.074 340 T CA 1.289 63.367 62.100 -0.036 0.000 0.988 340 T CB -0.426 68.410 68.868 -0.052 0.000 0.988 340 T HN 0.503 nan 8.240 nan 0.000 0.530 341 H N 2.804 121.972 119.070 0.163 0.000 2.353 341 H HA -0.015 4.541 4.556 -0.000 0.000 0.298 341 H C -0.755 174.666 175.328 0.156 0.000 1.103 341 H CA 1.419 57.579 56.048 0.187 0.000 1.293 341 H CB -0.941 28.943 29.762 0.204 0.000 1.372 341 H HN 0.434 nan 8.280 nan 0.000 0.501 342 P HA 0.215 nan 4.420 nan 0.000 0.259 342 P C 0.524 177.827 177.300 0.005 0.000 1.530 342 P CA 0.479 63.651 63.100 0.120 0.000 1.022 342 P CB 0.444 32.219 31.700 0.126 0.000 1.514 343 A N 0.550 123.369 122.820 -0.002 0.000 2.032 343 A HA -0.169 4.151 4.320 -0.000 0.000 0.221 343 A C 1.863 179.377 177.584 -0.118 0.000 1.165 343 A CA 1.225 53.198 52.037 -0.107 0.000 0.645 343 A CB -1.277 17.679 19.000 -0.073 0.000 0.807 343 A HN 0.151 nan 8.150 nan 0.000 0.453 344 L N -0.682 120.520 121.223 -0.035 0.000 2.450 344 L HA -0.087 4.253 4.340 -0.000 0.000 0.224 344 L C 2.737 179.585 176.870 -0.035 0.000 1.149 344 L CA 1.289 56.120 54.840 -0.015 0.000 0.816 344 L CB -1.000 41.082 42.059 0.039 0.000 0.932 344 L HN 0.424 nan 8.230 nan 0.000 0.449 345 A N -0.854 121.882 122.820 -0.141 0.000 2.070 345 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 345 A C 2.289 179.681 177.584 -0.320 0.000 1.159 345 A CA 1.295 53.223 52.037 -0.181 0.000 0.656 345 A CB -0.468 18.429 19.000 -0.172 0.000 0.800 345 A HN 0.398 nan 8.150 nan 0.000 0.453 346 I N -0.218 120.064 120.570 -0.480 0.000 2.162 346 I HA -0.117 4.053 4.170 -0.000 0.000 0.238 346 I C -0.586 175.523 176.117 -0.014 0.000 1.076 346 I CA 1.123 62.230 61.300 -0.322 0.000 1.353 346 I CB -0.994 36.847 38.000 -0.266 0.000 1.063 346 I HN 0.163 nan 8.210 nan 0.000 0.408 347 P HA -0.178 nan 4.420 nan 0.000 0.218 347 P C 1.312 178.615 177.300 0.005 0.000 1.149 347 P CA 1.262 64.384 63.100 0.037 0.000 0.817 347 P CB 0.078 31.830 31.700 0.086 0.000 0.785 348 E N -0.048 120.221 120.200 0.115 0.000 2.028 348 E HA -0.176 4.173 4.350 -0.000 0.000 0.191 348 E C 1.812 178.377 176.600 -0.058 0.000 0.988 348 E CA 0.994 57.485 56.400 0.152 0.000 0.799 348 E CB -1.325 28.510 29.700 0.225 0.000 0.755 348 E HN -0.030 nan 8.360 nan 0.000 0.447 349 L N -0.001 121.168 121.223 -0.089 0.000 2.079 349 L HA -0.131 4.208 4.340 -0.000 0.000 0.210 349 L C 2.116 178.745 176.870 -0.402 0.000 1.081 349 L CA 1.749 56.393 54.840 -0.327 0.000 0.752 349 L CB -0.489 41.472 42.059 -0.164 0.000 0.896 349 L HN 0.266 nan 8.230 nan 0.000 0.433 350 M N -1.091 118.418 119.600 -0.153 0.000 2.175 350 M HA -0.169 4.311 4.480 -0.000 0.000 0.264 350 M C 2.409 178.619 176.300 -0.149 0.000 1.063 350 M CA 1.394 56.621 55.300 -0.122 0.000 1.119 350 M CB -1.107 31.426 32.600 -0.113 0.000 1.377 350 M HN 0.327 nan 8.290 nan 0.000 0.415 351 R N 0.465 120.863 120.500 -0.171 0.000 2.073 351 R HA -0.102 4.237 4.340 -0.000 0.000 0.234 351 R C 2.098 178.322 176.300 -0.127 0.000 1.134 351 R CA 1.339 57.337 56.100 -0.171 0.000 0.952 351 R CB -0.206 29.945 30.300 -0.249 0.000 0.850 351 R HN 0.292 nan 8.270 nan 0.000 0.433 352 I N -0.069 120.393 120.570 -0.180 0.000 2.142 352 I HA -0.304 3.865 4.170 -0.000 0.000 0.240 352 I C 2.153 178.170 176.117 -0.166 0.000 1.078 352 I CA 1.552 62.729 61.300 -0.205 0.000 1.343 352 I CB -0.451 37.335 38.000 -0.356 0.000 1.046 352 I HN 0.180 nan 8.210 nan 0.000 0.405 353 F N 0.375 120.123 119.950 -0.338 0.000 2.065 353 F HA -0.276 4.251 4.527 -0.001 0.000 0.298 353 F C 2.512 178.157 175.800 -0.258 0.000 1.112 353 F CA 1.188 58.943 58.000 -0.408 0.000 1.212 353 F CB -0.272 38.465 39.000 -0.439 0.000 0.975 353 F HN -0.117 nan 8.300 nan 0.000 0.476 354 V N -0.440 119.481 119.914 0.011 0.000 2.273 354 V HA -0.225 3.894 4.120 -0.000 0.000 0.242 354 V C 1.682 177.779 176.094 0.005 0.000 1.035 354 V CA 1.840 64.139 62.300 -0.002 0.000 1.013 354 V CB -0.506 31.319 31.823 0.004 0.000 0.652 354 V HN 0.203 nan 8.190 nan 0.000 0.452 355 D N 0.117 120.509 120.400 -0.013 0.000 2.103 355 D HA -0.039 4.600 4.640 -0.000 0.000 0.199 355 D C 2.039 178.335 176.300 -0.007 0.000 0.978 355 D CA 1.414 55.407 54.000 -0.011 0.000 0.829 355 D CB -0.055 40.730 40.800 -0.024 0.000 0.981 355 D HN 0.392 nan 8.370 nan 0.000 0.464 356 I N 0.797 121.358 120.570 -0.016 0.000 2.339 356 I HA -0.092 4.078 4.170 -0.000 0.000 0.245 356 I C 1.897 178.023 176.117 0.016 0.000 1.096 356 I CA 0.742 62.040 61.300 -0.005 0.000 1.408 356 I CB 0.059 38.049 38.000 -0.017 0.000 1.092 356 I HN -0.193 nan 8.210 nan 0.000 0.423 357 E N 0.790 120.994 120.200 0.006 0.000 2.478 357 E HA -0.062 4.288 4.350 -0.000 0.000 0.194 357 E C 0.297 176.917 176.600 0.034 0.000 1.045 357 E CA 0.158 56.581 56.400 0.038 0.000 0.868 357 E CB 0.094 29.776 29.700 -0.031 0.000 0.885 357 E HN 0.143 nan 8.360 nan 0.000 0.505 358 K N -0.075 120.335 120.400 0.016 0.000 3.088 358 K HA -0.166 4.154 4.320 -0.000 0.000 0.273 358 K C -0.353 176.252 176.600 0.010 0.000 1.111 358 K CA 0.296 56.595 56.287 0.020 0.000 0.803 358 K CB -2.049 30.470 32.500 0.031 0.000 1.226 358 K HN 0.151 nan 8.250 nan 0.000 0.485 359 L N 0.509 121.715 121.223 -0.028 0.000 2.395 359 L HA 0.336 4.676 4.340 -0.000 0.000 0.269 359 L C -1.651 175.206 176.870 -0.022 0.000 1.133 359 L CA -2.222 52.580 54.840 -0.063 0.000 0.812 359 L CB 0.441 42.374 42.059 -0.210 0.000 1.125 359 L HN -0.149 nan 8.230 nan 0.000 0.452 360 P HA -0.078 nan 4.420 nan 0.000 0.268 360 P C -0.029 177.342 177.300 0.120 0.000 1.204 360 P CA 0.013 63.160 63.100 0.078 0.000 0.768 360 P CB 0.438 32.181 31.700 0.072 0.000 0.842 361 W N 3.083 124.398 121.300 0.025 0.000 2.290 361 W HA -0.293 4.367 4.660 -0.000 0.000 0.318 361 W C 2.122 178.702 176.519 0.101 0.000 1.248 361 W CA 2.426 59.803 57.345 0.053 0.000 1.263 361 W CB -0.549 28.927 29.460 0.027 0.000 1.147 361 W HN 0.271 nan 8.180 nan 0.000 0.494 362 S N -0.213 115.780 115.700 0.488 0.000 2.368 362 S HA -0.235 4.235 4.470 -0.000 0.000 0.225 362 S C 1.637 176.365 174.600 0.213 0.000 1.030 362 S CA 1.717 60.164 58.200 0.411 0.000 0.999 362 S CB -0.503 62.872 63.200 0.290 0.000 0.844 362 S HN 0.171 nan 8.310 nan 0.000 0.459 363 K N 2.359 122.815 120.400 0.094 0.000 2.057 363 K HA 0.132 4.451 4.320 -0.000 0.000 0.206 363 K C 1.945 178.467 176.600 -0.130 0.000 1.050 363 K CA 1.403 57.679 56.287 -0.018 0.000 0.935 363 K CB -0.756 31.711 32.500 -0.055 0.000 0.715 363 K HN 0.213 nan 8.250 nan 0.000 0.439 364 A N 0.505 123.220 122.820 -0.176 0.000 1.898 364 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 364 A C 2.245 179.769 177.584 -0.101 0.000 1.181 364 A CA 1.337 53.211 52.037 -0.271 0.000 0.620 364 A CB -1.221 17.653 19.000 -0.209 0.000 0.819 364 A HN 0.684 nan 8.150 nan 0.000 0.442 365 W N 0.998 122.104 121.300 -0.323 0.000 2.363 365 W HA -0.189 4.471 4.660 -0.000 0.000 0.296 365 W C 1.764 178.250 176.519 -0.056 0.000 1.212 365 W CA 1.866 59.056 57.345 -0.258 0.000 1.260 365 W CB -0.083 29.190 29.460 -0.310 0.000 1.131 365 W HN 0.551 nan 8.180 nan 0.000 0.530 366 E N 0.589 120.754 120.200 -0.057 0.000 2.031 366 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 366 E C 2.269 178.772 176.600 -0.162 0.000 0.994 366 E CA 1.949 58.280 56.400 -0.115 0.000 0.800 366 E CB -0.750 28.941 29.700 -0.015 0.000 0.752 366 E HN 0.299 nan 8.360 nan 0.000 0.447 367 L N 0.712 121.854 121.223 -0.136 0.000 2.042 367 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 367 L C 2.614 179.473 176.870 -0.018 0.000 1.076 367 L CA 1.304 56.094 54.840 -0.083 0.000 0.749 367 L CB -0.809 41.117 42.059 -0.223 0.000 0.893 367 L HN 0.194 nan 8.230 nan 0.000 0.432 368 T N -0.736 113.789 114.554 -0.049 0.000 2.622 368 T HA -0.264 4.086 4.350 -0.000 0.000 0.266 368 T C 1.903 176.540 174.700 -0.105 0.000 1.047 368 T CA 1.568 63.647 62.100 -0.035 0.000 1.159 368 T CB -0.282 68.552 68.868 -0.056 0.000 0.863 368 T HN 0.391 nan 8.240 nan 0.000 0.422 369 Q N 0.690 120.268 119.800 -0.369 0.000 2.096 369 Q HA -0.118 4.221 4.340 -0.000 0.000 0.204 369 Q C 2.332 178.309 176.000 -0.037 0.000 0.982 369 Q CA 1.277 56.923 55.803 -0.262 0.000 0.850 369 Q CB -0.211 28.270 28.738 -0.427 0.000 0.901 369 Q HN 0.494 nan 8.270 nan 0.000 0.422 370 K N -0.338 119.983 120.400 -0.132 0.000 2.362 370 K HA -0.046 4.274 4.320 -0.000 0.000 0.200 370 K C 1.882 178.339 176.600 -0.238 0.000 1.046 370 K CA 1.124 57.260 56.287 -0.252 0.000 0.952 370 K CB 0.100 32.485 32.500 -0.192 0.000 0.753 370 K HN 0.132 nan 8.250 nan 0.000 0.466 371 T N 0.399 114.885 114.554 -0.114 0.000 2.939 371 T HA 0.066 4.416 4.350 -0.000 0.000 0.254 371 T C 0.371 174.954 174.700 -0.195 0.000 1.041 371 T CA 0.609 62.584 62.100 -0.208 0.000 1.142 371 T CB 0.019 68.709 68.868 -0.296 0.000 0.874 371 T HN -0.043 nan 8.240 nan 0.000 0.452 372 F N 1.211 121.260 119.950 0.165 0.000 2.379 372 F HA 0.607 5.133 4.527 -0.000 0.000 0.332 372 F C 0.364 176.273 175.800 0.182 0.000 1.096 372 F CA -1.103 56.992 58.000 0.158 0.000 1.105 372 F CB 0.874 39.907 39.000 0.054 0.000 1.189 372 F HN -0.025 nan 8.300 nan 0.000 0.515 373 A N 2.934 125.965 122.820 0.352 0.000 2.381 373 A HA 0.529 4.849 4.320 -0.000 0.000 0.299 373 A C -2.039 175.678 177.584 0.221 0.000 1.049 373 A CA -0.560 51.554 52.037 0.127 0.000 0.715 373 A CB 0.651 19.739 19.000 0.146 0.000 1.222 373 A HN 0.640 nan 8.150 nan 0.000 0.428 374 Y N 1.641 121.911 120.300 -0.048 0.000 2.334 374 Y HA 0.691 5.241 4.550 -0.000 0.000 0.328 374 Y C -0.207 175.668 175.900 -0.041 0.000 1.130 374 Y CA -0.528 57.539 58.100 -0.055 0.000 1.163 374 Y CB 1.748 40.113 38.460 -0.159 0.000 1.207 374 Y HN 0.527 nan 8.280 nan 0.000 0.471 375 T N 6.902 121.222 114.554 -0.390 0.000 2.815 375 T HA 0.201 4.551 4.350 -0.000 0.000 0.289 375 T C -0.902 173.377 174.700 -0.702 0.000 1.000 375 T CA -0.874 60.961 62.100 -0.442 0.000 0.958 375 T CB 0.219 69.088 68.868 0.003 0.000 0.944 375 T HN 0.623 nan 8.240 nan 0.000 0.442 376 N N 2.017 120.293 118.700 -0.706 0.000 2.434 376 N HA 0.160 4.899 4.740 -0.000 0.000 0.272 376 N C 0.328 175.787 175.510 -0.086 0.000 1.040 376 N CA -0.202 52.660 53.050 -0.313 0.000 0.956 376 N CB 0.757 39.173 38.487 -0.118 0.000 1.108 376 N HN 0.666 nan 8.380 nan 0.000 0.481 377 H N 0.997 120.111 119.070 0.073 0.000 2.615 377 H HA 0.033 4.589 4.556 -0.000 0.000 0.275 377 H C 0.048 175.328 175.328 -0.079 0.000 0.981 377 H CA 0.347 56.382 56.048 -0.021 0.000 1.252 377 H CB 0.873 30.624 29.762 -0.018 0.000 1.447 377 H HN 0.422 nan 8.280 nan 0.000 0.498 378 T N 1.293 115.946 114.554 0.165 0.000 2.743 378 T HA 0.215 4.565 4.350 -0.000 0.000 0.292 378 T C 1.064 175.893 174.700 0.216 0.000 0.972 378 T CA -0.238 61.929 62.100 0.113 0.000 0.967 378 T CB 1.321 70.232 68.868 0.072 0.000 0.926 378 T HN -0.009 nan 8.240 nan 0.000 0.459 379 V N 6.174 126.228 119.914 0.233 0.000 3.129 379 V HA 0.311 4.431 4.120 -0.000 0.000 0.259 379 V C 0.946 177.075 176.094 0.059 0.000 1.116 379 V CA 0.465 62.906 62.300 0.235 0.000 1.127 379 V CB -0.336 31.668 31.823 0.302 0.000 0.742 379 V HN 0.782 nan 8.190 nan 0.000 0.474 380 L N 3.183 124.422 121.223 0.027 0.000 2.418 380 L HA 0.313 4.653 4.340 -0.000 0.000 0.274 380 L C -0.911 175.945 176.870 -0.023 0.000 1.135 380 L CA -0.868 53.961 54.840 -0.018 0.000 0.870 380 L CB 0.894 42.929 42.059 -0.040 0.000 1.154 380 L HN 0.061 nan 8.230 nan 0.000 0.462 381 P HA -0.160 nan 4.420 nan 0.000 0.221 381 P C 0.866 178.146 177.300 -0.035 0.000 1.150 381 P CA 0.823 63.888 63.100 -0.057 0.000 0.800 381 P CB 0.450 32.101 31.700 -0.081 0.000 0.787 382 E N 0.618 120.798 120.200 -0.034 0.000 2.347 382 E HA 0.008 4.357 4.350 -0.000 0.000 0.196 382 E C 1.589 178.167 176.600 -0.037 0.000 1.008 382 E CA 0.680 57.061 56.400 -0.032 0.000 0.852 382 E CB -0.660 29.023 29.700 -0.029 0.000 0.783 382 E HN 0.130 nan 8.360 nan 0.000 0.505 383 A N 0.175 122.974 122.820 -0.034 0.000 2.507 383 A HA 0.275 4.595 4.320 -0.000 0.000 0.270 383 A C -0.056 177.516 177.584 -0.020 0.000 1.318 383 A CA -0.370 51.645 52.037 -0.037 0.000 0.924 383 A CB -0.094 18.879 19.000 -0.045 0.000 1.061 383 A HN 0.120 nan 8.150 nan 0.000 0.516 384 L N 0.921 122.136 121.223 -0.014 0.000 2.331 384 L HA 0.216 4.556 4.340 -0.000 0.000 0.278 384 L C 0.670 177.507 176.870 -0.055 0.000 1.106 384 L CA -0.389 54.454 54.840 0.006 0.000 0.824 384 L CB 1.021 43.098 42.059 0.030 0.000 1.142 384 L HN 0.458 nan 8.230 nan 0.000 0.443 385 E N 4.444 124.606 120.200 -0.063 0.000 2.480 385 E HA 0.042 4.392 4.350 -0.000 0.000 0.258 385 E C -0.837 175.646 176.600 -0.194 0.000 0.984 385 E CA -0.243 56.063 56.400 -0.157 0.000 0.930 385 E CB 0.474 30.110 29.700 -0.107 0.000 0.936 385 E HN 0.339 nan 8.360 nan 0.000 0.466 386 R N 4.144 124.462 120.500 -0.303 0.000 2.750 386 R HA 0.386 4.725 4.340 -0.000 0.000 0.281 386 R C -1.328 174.772 176.300 -0.333 0.000 0.972 386 R CA -0.625 55.350 56.100 -0.209 0.000 0.912 386 R CB 0.995 31.224 30.300 -0.118 0.000 1.187 386 R HN 0.588 nan 8.270 nan 0.000 0.464 387 W N 2.055 123.355 121.300 -0.000 0.000 2.785 387 W HA 0.421 5.081 4.660 -0.001 0.000 0.333 387 W C -2.129 174.396 176.519 0.010 0.000 1.062 387 W CA -2.117 55.227 57.345 -0.001 0.000 1.233 387 W CB 2.293 31.742 29.460 -0.017 0.000 1.413 387 W HN 0.290 nan 8.180 nan 0.000 0.489 388 P HA -0.059 nan 4.420 nan 0.000 0.271 388 P C 0.836 178.244 177.300 0.180 0.000 1.226 388 P CA 0.089 63.321 63.100 0.220 0.000 0.765 388 P CB 0.825 32.658 31.700 0.222 0.000 0.835 389 V N 0.792 120.790 119.914 0.139 0.000 2.568 389 V HA -0.283 3.837 4.120 -0.000 0.000 0.253 389 V C 0.964 177.102 176.094 0.072 0.000 1.072 389 V CA 2.007 64.359 62.300 0.086 0.000 1.084 389 V CB -1.378 30.524 31.823 0.132 0.000 0.676 389 V HN 0.317 nan 8.190 nan 0.000 0.469 390 D N 0.795 121.261 120.400 0.110 0.000 2.117 390 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 390 D C 1.915 178.287 176.300 0.121 0.000 0.982 390 D CA 1.503 55.571 54.000 0.114 0.000 0.828 390 D CB -0.298 40.581 40.800 0.131 0.000 0.967 390 D HN 0.469 nan 8.370 nan 0.000 0.464 391 L N 0.545 121.849 121.223 0.135 0.000 2.056 391 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 391 L C 1.960 178.808 176.870 -0.036 0.000 1.078 391 L CA 1.279 56.182 54.840 0.105 0.000 0.749 391 L CB -0.227 41.892 42.059 0.099 0.000 0.901 391 L HN -0.035 nan 8.230 nan 0.000 0.433 392 V N -0.466 119.398 119.914 -0.083 0.000 2.427 392 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 392 V C 2.526 178.536 176.094 -0.140 0.000 1.051 392 V CA 1.792 63.981 62.300 -0.184 0.000 1.048 392 V CB -0.656 31.056 31.823 -0.185 0.000 0.666 392 V HN 0.555 nan 8.190 nan 0.000 0.456 393 E N 0.264 120.426 120.200 -0.063 0.000 2.118 393 E HA -0.307 4.043 4.350 -0.000 0.000 0.195 393 E C 2.177 178.784 176.600 0.012 0.000 0.992 393 E CA 1.569 57.949 56.400 -0.033 0.000 0.804 393 E CB 0.043 29.757 29.700 0.023 0.000 0.741 393 E HN 0.436 nan 8.360 nan 0.000 0.458 394 K N 0.294 120.732 120.400 0.063 0.000 2.021 394 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 394 K C 1.998 178.696 176.600 0.163 0.000 1.047 394 K CA 0.844 57.229 56.287 0.163 0.000 0.943 394 K CB -0.475 32.170 32.500 0.242 0.000 0.725 394 K HN 0.131 nan 8.250 nan 0.000 0.439 395 L N -0.214 120.994 121.223 -0.025 0.000 2.044 395 L HA 0.136 4.476 4.340 -0.000 0.000 0.205 395 L C -0.051 176.700 176.870 -0.199 0.000 1.075 395 L CA 1.402 56.078 54.840 -0.274 0.000 0.747 395 L CB 0.085 41.940 42.059 -0.339 0.000 0.903 395 L HN 0.090 nan 8.230 nan 0.000 0.435 396 L N 1.336 122.396 121.223 -0.273 0.000 2.556 396 L HA 0.337 4.677 4.340 -0.000 0.000 0.243 396 L C -1.671 174.965 176.870 -0.390 0.000 1.331 396 L CA -1.467 53.106 54.840 -0.444 0.000 0.927 396 L CB 0.232 41.868 42.059 -0.705 0.000 1.219 396 L HN 0.022 nan 8.230 nan 0.000 0.490 397 P HA -0.231 nan 4.420 nan 0.000 0.214 397 P C 1.499 178.581 177.300 -0.364 0.000 1.163 397 P CA 1.262 64.203 63.100 -0.264 0.000 0.889 397 P CB 0.512 32.128 31.700 -0.139 0.000 0.790 398 R N -0.558 119.559 120.500 -0.640 0.000 2.152 398 R HA -0.150 4.190 4.340 -0.000 0.000 0.232 398 R C 2.497 178.469 176.300 -0.548 0.000 1.117 398 R CA 1.476 57.224 56.100 -0.587 0.000 0.981 398 R CB -1.306 28.515 30.300 -0.798 0.000 0.870 398 R HN 0.346 nan 8.270 nan 0.000 0.451 399 H N -0.877 117.858 119.070 -0.559 0.000 2.436 399 H HA -0.043 4.513 4.556 -0.001 0.000 0.294 399 H C 1.637 176.767 175.328 -0.330 0.000 1.048 399 H CA 1.320 57.118 56.048 -0.417 0.000 1.353 399 H CB 0.137 29.603 29.762 -0.493 0.000 1.414 399 H HN 0.167 nan 8.280 nan 0.000 0.536 400 L N 1.763 122.833 121.223 -0.254 0.000 2.056 400 L HA -0.108 4.231 4.340 -0.000 0.000 0.207 400 L C 2.095 178.719 176.870 -0.409 0.000 1.078 400 L CA 1.484 56.098 54.840 -0.376 0.000 0.749 400 L CB -0.454 41.395 42.059 -0.350 0.000 0.901 400 L HN 0.135 nan 8.230 nan 0.000 0.433 401 E N -0.332 119.746 120.200 -0.204 0.000 2.058 401 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 401 E C 2.258 178.853 176.600 -0.009 0.000 0.997 401 E CA 1.882 58.258 56.400 -0.041 0.000 0.801 401 E CB -0.285 29.412 29.700 -0.006 0.000 0.746 401 E HN 0.548 nan 8.360 nan 0.000 0.450 402 I N 0.900 121.436 120.570 -0.057 0.000 2.286 402 I HA -0.250 3.919 4.170 -0.000 0.000 0.248 402 I C 2.332 178.476 176.117 0.046 0.000 1.115 402 I CA 0.948 62.270 61.300 0.037 0.000 1.392 402 I CB -0.206 37.768 38.000 -0.043 0.000 1.065 402 I HN 0.114 nan 8.210 nan 0.000 0.418 403 I N -0.550 119.984 120.570 -0.058 0.000 2.394 403 I HA -0.278 3.891 4.170 -0.000 0.000 0.251 403 I C 2.359 178.513 176.117 0.061 0.000 1.136 403 I CA 1.160 62.437 61.300 -0.038 0.000 1.425 403 I CB -0.309 37.615 38.000 -0.127 0.000 1.079 403 I HN 0.153 nan 8.210 nan 0.000 0.425 404 Y N 0.821 121.129 120.300 0.013 0.000 2.184 404 Y HA -0.201 4.349 4.550 -0.000 0.000 0.290 404 Y C 2.611 178.488 175.900 -0.037 0.000 1.129 404 Y CA 1.142 59.240 58.100 -0.003 0.000 1.144 404 Y CB -0.814 37.639 38.460 -0.013 0.000 0.995 404 Y HN 0.117 nan 8.280 nan 0.000 0.513 405 E N 0.374 120.643 120.200 0.114 0.000 2.268 405 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 405 E C 2.035 178.554 176.600 -0.135 0.000 0.995 405 E CA 0.831 57.178 56.400 -0.089 0.000 0.836 405 E CB -0.495 29.100 29.700 -0.174 0.000 0.763 405 E HN 0.477 nan 8.360 nan 0.000 0.491 406 I N 0.094 120.690 120.570 0.044 0.000 2.233 406 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 406 I C 2.112 178.206 176.117 -0.038 0.000 1.093 406 I CA 0.992 62.263 61.300 -0.048 0.000 1.380 406 I CB -0.211 37.735 38.000 -0.090 0.000 1.067 406 I HN 0.166 nan 8.210 nan 0.000 0.413 407 N N 0.686 119.429 118.700 0.072 0.000 2.120 407 N HA -0.261 4.479 4.740 -0.000 0.000 0.188 407 N C 1.824 177.401 175.510 0.112 0.000 1.024 407 N CA 1.417 54.564 53.050 0.161 0.000 0.852 407 N CB -0.063 38.551 38.487 0.212 0.000 1.003 407 N HN 0.139 nan 8.380 nan 0.000 0.424 408 Q N 0.837 120.650 119.800 0.021 0.000 2.061 408 Q HA -0.045 4.294 4.340 -0.000 0.000 0.204 408 Q C 1.541 177.501 176.000 -0.065 0.000 0.984 408 Q CA 1.705 57.481 55.803 -0.046 0.000 0.846 408 Q CB -0.060 28.615 28.738 -0.106 0.000 0.902 408 Q HN 0.309 nan 8.270 nan 0.000 0.421 409 K N -0.924 119.407 120.400 -0.116 0.000 2.283 409 K HA -0.155 4.165 4.320 -0.000 0.000 0.202 409 K C 2.036 178.659 176.600 0.038 0.000 1.048 409 K CA 1.054 57.278 56.287 -0.105 0.000 0.948 409 K CB -0.234 32.126 32.500 -0.233 0.000 0.742 409 K HN 0.513 nan 8.250 nan 0.000 0.458 410 H N 0.924 119.984 119.070 -0.017 0.000 2.343 410 H HA 0.035 4.591 4.556 -0.000 0.000 0.303 410 H C 2.004 177.359 175.328 0.045 0.000 1.068 410 H CA 0.821 56.906 56.048 0.061 0.000 1.359 410 H CB 0.243 30.069 29.762 0.107 0.000 1.402 410 H HN 0.052 nan 8.280 nan 0.000 0.515 411 L N 0.652 121.806 121.223 -0.116 0.000 2.109 411 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 411 L C 2.098 178.904 176.870 -0.107 0.000 1.086 411 L CA 0.884 55.616 54.840 -0.181 0.000 0.760 411 L CB -0.356 41.656 42.059 -0.078 0.000 0.910 411 L HN 0.251 nan 8.230 nan 0.000 0.437 412 D N -0.042 120.321 120.400 -0.062 0.000 2.182 412 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 412 D C 2.298 178.584 176.300 -0.022 0.000 0.986 412 D CA 0.896 54.871 54.000 -0.042 0.000 0.847 412 D CB -0.082 40.690 40.800 -0.045 0.000 0.942 412 D HN 0.071 nan 8.370 nan 0.000 0.467 413 R N 0.152 120.644 120.500 -0.012 0.000 2.240 413 R HA 0.155 4.495 4.340 -0.000 0.000 0.203 413 R C 2.270 178.590 176.300 0.033 0.000 1.011 413 R CA 0.011 56.124 56.100 0.022 0.000 1.007 413 R CB -0.209 30.132 30.300 0.067 0.000 0.911 413 R HN 0.330 nan 8.270 nan 0.000 0.468 414 I N 0.691 121.253 120.570 -0.013 0.000 2.353 414 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 414 I C 2.105 178.325 176.117 0.171 0.000 1.119 414 I CA 0.936 62.275 61.300 0.066 0.000 1.417 414 I CB -0.152 37.759 38.000 -0.147 0.000 1.078 414 I HN -0.098 nan 8.210 nan 0.000 0.421 415 V N -1.236 118.713 119.914 0.058 0.000 3.217 415 V HA 0.152 4.272 4.120 -0.000 0.000 0.264 415 V C 1.850 177.961 176.094 0.029 0.000 1.135 415 V CA 1.072 63.406 62.300 0.057 0.000 1.142 415 V CB -0.740 31.090 31.823 0.013 0.000 0.754 415 V HN 0.283 nan 8.190 nan 0.000 0.484 416 A N -0.552 122.279 122.820 0.018 0.000 2.411 416 A HA 0.663 4.982 4.320 -0.000 0.000 0.251 416 A C 1.348 178.902 177.584 -0.050 0.000 1.317 416 A CA 0.438 52.468 52.037 -0.012 0.000 0.904 416 A CB -0.306 18.693 19.000 -0.002 0.000 0.993 416 A HN 0.590 nan 8.150 nan 0.000 0.504 417 L N -3.252 117.918 121.223 -0.088 0.000 4.117 417 L HA 0.272 4.612 4.340 -0.000 0.000 0.403 417 L C -0.689 175.735 176.870 -0.744 0.000 1.051 417 L CA 0.179 54.806 54.840 -0.355 0.000 1.521 417 L CB 0.758 42.635 42.059 -0.303 0.000 1.894 417 L HN 0.324 nan 8.230 nan 0.000 0.632 418 F N 0.585 120.510 119.950 -0.042 0.000 2.664 418 F HA 0.304 4.830 4.527 -0.001 0.000 0.353 418 F C -1.777 173.997 175.800 -0.042 0.000 1.498 418 F CA -1.051 56.923 58.000 -0.043 0.000 1.109 418 F CB 0.470 39.436 39.000 -0.056 0.000 1.728 418 F HN -0.220 nan 8.300 nan 0.000 0.580 419 P HA -0.155 nan 4.420 nan 0.000 0.223 419 P C 0.949 178.270 177.300 0.034 0.000 1.144 419 P CA 1.343 64.462 63.100 0.032 0.000 0.783 419 P CB 0.472 32.170 31.700 -0.003 0.000 0.771 420 K N -1.186 119.244 120.400 0.051 0.000 2.391 420 K HA 0.093 4.413 4.320 -0.000 0.000 0.197 420 K C 0.712 177.340 176.600 0.047 0.000 1.087 420 K CA 0.062 56.372 56.287 0.037 0.000 1.012 420 K CB -0.229 32.288 32.500 0.028 0.000 0.925 420 K HN -0.106 nan 8.250 nan 0.000 0.547 421 D N 1.381 121.833 120.400 0.086 0.000 2.541 421 D HA -0.019 4.621 4.640 -0.000 0.000 0.231 421 D C 0.628 176.930 176.300 0.003 0.000 1.163 421 D CA 0.137 54.170 54.000 0.056 0.000 1.077 421 D CB 0.408 41.267 40.800 0.099 0.000 1.110 421 D HN -0.172 nan 8.370 nan 0.000 0.499 422 V N 2.164 122.077 119.914 -0.002 0.000 2.759 422 V HA -0.177 3.943 4.120 -0.000 0.000 0.256 422 V C 1.893 177.970 176.094 -0.028 0.000 1.080 422 V CA 1.327 63.619 62.300 -0.014 0.000 1.101 422 V CB -0.238 31.581 31.823 -0.007 0.000 0.698 422 V HN 0.368 nan 8.190 nan 0.000 0.477 423 D N -0.402 119.976 120.400 -0.036 0.000 2.305 423 D HA -0.069 4.571 4.640 -0.000 0.000 0.206 423 D C 2.324 178.580 176.300 -0.075 0.000 0.974 423 D CA 0.362 54.338 54.000 -0.041 0.000 0.871 423 D CB 0.006 40.787 40.800 -0.032 0.000 0.947 423 D HN 0.200 nan 8.370 nan 0.000 0.516 424 R N -0.170 120.253 120.500 -0.129 0.000 2.148 424 R HA 0.011 4.351 4.340 -0.000 0.000 0.223 424 R C 1.994 178.174 176.300 -0.200 0.000 1.088 424 R CA 0.452 56.416 56.100 -0.227 0.000 0.985 424 R CB -0.021 30.024 30.300 -0.424 0.000 0.880 424 R HN 0.245 nan 8.270 nan 0.000 0.451 425 L N 0.747 121.888 121.223 -0.136 0.000 1.961 425 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 425 L C 2.659 179.507 176.870 -0.038 0.000 1.072 425 L CA 1.932 56.710 54.840 -0.103 0.000 0.749 425 L CB -0.541 41.479 42.059 -0.065 0.000 0.889 425 L HN 0.292 nan 8.230 nan 0.000 0.432 426 R N 0.081 120.575 120.500 -0.009 0.000 2.193 426 R HA -0.192 4.148 4.340 -0.000 0.000 0.229 426 R C 2.155 178.500 176.300 0.075 0.000 1.110 426 R CA 1.343 57.465 56.100 0.038 0.000 0.988 426 R CB -0.413 29.903 30.300 0.027 0.000 0.871 426 R HN 0.241 nan 8.270 nan 0.000 0.458 427 R N -0.007 120.515 120.500 0.037 0.000 2.240 427 R HA 0.189 4.528 4.340 -0.000 0.000 0.203 427 R C 1.347 177.722 176.300 0.124 0.000 1.011 427 R CA 0.761 56.905 56.100 0.074 0.000 1.007 427 R CB 0.223 30.521 30.300 -0.003 0.000 0.911 427 R HN 0.317 nan 8.270 nan 0.000 0.468 428 M N -0.849 118.770 119.600 0.033 0.000 2.292 428 M HA 0.140 4.619 4.480 -0.000 0.000 0.286 428 M C 0.452 176.932 176.300 0.300 0.000 1.002 428 M CA -0.171 55.116 55.300 -0.022 0.000 1.029 428 M CB 1.249 33.619 32.600 -0.383 0.000 1.537 428 M HN -0.093 nan 8.290 nan 0.000 0.543 429 S N 1.059 116.931 115.700 0.287 0.000 2.572 429 S HA 0.188 4.658 4.470 -0.000 0.000 0.279 429 S C 1.206 176.095 174.600 0.482 0.000 1.341 429 S CA -0.356 58.053 58.200 0.349 0.000 1.043 429 S CB 0.665 63.987 63.200 0.205 0.000 0.887 429 S HN 0.376 nan 8.310 nan 0.000 0.516 430 L N 3.773 125.239 121.223 0.405 0.000 2.201 430 L HA 0.169 4.509 4.340 -0.000 0.000 0.212 430 L C 1.267 178.282 176.870 0.241 0.000 1.105 430 L CA 0.794 55.836 54.840 0.336 0.000 0.775 430 L CB -0.397 41.800 42.059 0.230 0.000 0.913 430 L HN 0.627 nan 8.230 nan 0.000 0.440 431 I N 0.321 121.033 120.570 0.237 0.000 2.437 431 I HA 0.174 4.344 4.170 -0.000 0.000 0.298 431 I C -0.431 175.780 176.117 0.156 0.000 0.984 431 I CA -0.404 61.014 61.300 0.198 0.000 1.214 431 I CB 1.428 39.577 38.000 0.249 0.000 1.365 431 I HN 0.067 nan 8.210 nan 0.000 0.469 432 E N 5.995 126.268 120.200 0.121 0.000 2.063 432 E HA 0.229 4.579 4.350 -0.000 0.000 0.265 432 E C -1.252 175.397 176.600 0.081 0.000 0.919 432 E CA -0.503 55.953 56.400 0.093 0.000 0.756 432 E CB 1.115 30.856 29.700 0.068 0.000 1.120 432 E HN 0.493 nan 8.360 nan 0.000 0.414 433 E N 3.289 123.531 120.200 0.070 0.000 2.129 433 E HA 0.105 4.455 4.350 -0.000 0.000 0.283 433 E C -0.110 176.517 176.600 0.045 0.000 1.080 433 E CA 0.299 56.733 56.400 0.055 0.000 0.867 433 E CB 0.554 30.276 29.700 0.038 0.000 1.056 433 E HN 0.324 nan 8.360 nan 0.000 0.404 434 E N 0.889 121.116 120.200 0.046 0.000 2.368 434 E HA 0.305 4.655 4.350 -0.000 0.000 0.257 434 E C 0.150 176.774 176.600 0.039 0.000 1.022 434 E CA -0.896 55.527 56.400 0.038 0.000 0.886 434 E CB 0.282 30.004 29.700 0.037 0.000 1.740 434 E HN 0.399 nan 8.360 nan 0.000 0.456 435 G N 1.005 109.826 108.800 0.034 0.000 3.180 435 G HA2 0.306 4.266 3.960 -0.000 0.000 0.252 435 G HA3 0.306 4.266 3.960 -0.000 0.000 0.252 435 G C -0.313 174.612 174.900 0.042 0.000 0.871 435 G CA 0.925 46.046 45.100 0.034 0.000 1.979 435 G HN 0.552 nan 8.290 nan 0.000 0.624 436 S N -1.238 114.493 115.700 0.051 0.000 3.102 436 S HA -0.028 4.442 4.470 -0.000 0.000 0.253 436 S C -0.798 173.845 174.600 0.071 0.000 0.415 436 S CA -1.026 57.212 58.200 0.064 0.000 0.549 436 S CB -0.589 62.649 63.200 0.064 0.000 0.701 436 S HN 0.392 nan 8.310 nan 0.000 0.710 437 K N 1.770 122.222 120.400 0.086 0.000 2.322 437 K HA 0.593 4.913 4.320 -0.000 0.000 0.283 437 K C 0.125 176.792 176.600 0.112 0.000 1.042 437 K CA -0.452 55.895 56.287 0.100 0.000 0.958 437 K CB 0.594 33.167 32.500 0.121 0.000 0.984 437 K HN 0.524 nan 8.250 nan 0.000 0.473 438 R N 1.641 122.204 120.500 0.105 0.000 2.888 438 R HA 0.559 4.899 4.340 -0.000 0.000 0.266 438 R C -0.639 175.729 176.300 0.113 0.000 1.020 438 R CA -0.623 55.539 56.100 0.104 0.000 0.963 438 R CB 1.217 31.554 30.300 0.061 0.000 1.197 438 R HN 0.475 nan 8.270 nan 0.000 0.481 439 I N 0.700 121.341 120.570 0.119 0.000 2.418 439 I HA 0.320 4.490 4.170 -0.000 0.000 0.287 439 I C -0.542 175.611 176.117 0.060 0.000 1.008 439 I CA -0.724 60.643 61.300 0.111 0.000 1.104 439 I CB 2.007 40.085 38.000 0.129 0.000 1.264 439 I HN 0.518 nan 8.210 nan 0.000 0.438 440 N N 5.825 124.530 118.700 0.007 0.000 2.401 440 N HA 0.143 4.883 4.740 -0.000 0.000 0.255 440 N C 0.972 176.447 175.510 -0.059 0.000 1.110 440 N CA -0.369 52.615 53.050 -0.109 0.000 0.949 440 N CB 0.702 38.956 38.487 -0.387 0.000 1.110 440 N HN 0.516 nan 8.380 nan 0.000 0.490 441 M N 2.350 121.924 119.600 -0.044 0.000 2.319 441 M HA 0.003 4.483 4.480 -0.000 0.000 0.265 441 M C 1.852 178.052 176.300 -0.167 0.000 1.068 441 M CA 0.634 55.908 55.300 -0.044 0.000 1.118 441 M CB -1.420 31.194 32.600 0.022 0.000 1.395 441 M HN 0.681 nan 8.290 nan 0.000 0.435 442 A N -0.642 122.084 122.820 -0.156 0.000 1.929 442 A HA -0.148 4.171 4.320 -0.000 0.000 0.216 442 A C 2.000 179.406 177.584 -0.297 0.000 1.176 442 A CA 1.289 53.173 52.037 -0.255 0.000 0.628 442 A CB -1.026 18.040 19.000 0.110 0.000 0.816 442 A HN 0.562 nan 8.150 nan 0.000 0.444 443 H N -1.406 117.518 119.070 -0.244 0.000 2.321 443 H HA -0.122 4.434 4.556 -0.000 0.000 0.300 443 H C 2.122 177.276 175.328 -0.288 0.000 1.087 443 H CA 1.217 57.075 56.048 -0.317 0.000 1.319 443 H CB -0.038 29.722 29.762 -0.005 0.000 1.379 443 H HN 0.428 nan 8.280 nan 0.000 0.501 444 L N 0.703 121.897 121.223 -0.049 0.000 2.012 444 L HA -0.188 4.151 4.340 -0.000 0.000 0.210 444 L C 2.295 179.067 176.870 -0.163 0.000 1.073 444 L CA 1.504 56.307 54.840 -0.060 0.000 0.748 444 L CB -0.730 41.303 42.059 -0.043 0.000 0.891 444 L HN 0.311 nan 8.230 nan 0.000 0.431 445 C N -0.508 118.575 119.300 -0.361 0.000 2.425 445 C HA -0.110 4.349 4.460 -0.000 0.000 0.277 445 C C 2.707 177.456 174.990 -0.401 0.000 1.280 445 C CA 0.862 59.565 59.018 -0.525 0.000 1.744 445 C CB -0.967 26.066 27.740 -1.179 0.000 1.989 445 C HN 0.598 nan 8.230 nan 0.000 0.491 446 I N 1.345 121.654 120.570 -0.435 0.000 2.233 446 I HA -0.143 4.027 4.170 -0.000 0.000 0.243 446 I C 2.571 178.595 176.117 -0.155 0.000 1.093 446 I CA 1.733 62.814 61.300 -0.365 0.000 1.380 446 I CB -0.563 37.045 38.000 -0.652 0.000 1.067 446 I HN 0.308 nan 8.210 nan 0.000 0.413 447 V N -0.726 119.137 119.914 -0.085 0.000 2.515 447 V HA -0.045 4.075 4.120 -0.000 0.000 0.250 447 V C 2.109 178.363 176.094 0.265 0.000 1.058 447 V CA 1.936 64.319 62.300 0.138 0.000 1.064 447 V CB -1.593 30.270 31.823 0.066 0.000 0.675 447 V HN 0.410 nan 8.190 nan 0.000 0.461 448 G N -0.295 108.599 108.800 0.156 0.000 2.813 448 G HA2 0.213 4.173 3.960 -0.000 0.000 0.209 448 G HA3 0.213 4.173 3.960 -0.000 0.000 0.209 448 G C 0.616 175.481 174.900 -0.058 0.000 1.150 448 G CA 0.631 45.747 45.100 0.025 0.000 0.785 448 G HN 0.583 nan 8.290 nan 0.000 0.535 449 S N -0.676 115.016 115.700 -0.013 0.000 2.664 449 S HA 0.394 4.863 4.470 -0.000 0.000 0.304 449 S C 0.756 175.380 174.600 0.040 0.000 1.099 449 S CA -0.646 57.588 58.200 0.057 0.000 1.003 449 S CB 1.263 64.475 63.200 0.021 0.000 1.092 449 S HN 0.502 nan 8.310 nan 0.000 0.525 450 H N -0.783 118.283 119.070 -0.006 0.000 2.592 450 H HA 0.581 5.137 4.556 -0.001 0.000 0.265 450 H C 0.122 175.429 175.328 -0.036 0.000 0.955 450 H CA 0.178 56.215 56.048 -0.018 0.000 1.175 450 H CB 0.090 29.848 29.762 -0.006 0.000 1.433 450 H HN 0.507 nan 8.280 nan 0.000 0.537 451 A N 0.801 123.313 122.820 -0.514 0.000 2.556 451 A HA 0.637 4.957 4.320 -0.000 0.000 0.294 451 A C -1.411 175.951 177.584 -0.370 0.000 1.091 451 A CA -0.526 51.243 52.037 -0.447 0.000 0.704 451 A CB 2.344 21.018 19.000 -0.544 0.000 1.300 451 A HN 0.086 nan 8.150 nan 0.000 0.406 452 V N 2.537 122.193 119.914 -0.431 0.000 2.851 452 V HA 0.597 4.717 4.120 -0.000 0.000 0.307 452 V C -1.123 174.740 176.094 -0.385 0.000 1.129 452 V CA -0.742 61.272 62.300 -0.478 0.000 0.932 452 V CB 2.187 33.490 31.823 -0.866 0.000 1.024 452 V HN 1.143 nan 8.190 nan 0.000 0.426 453 N N 2.000 120.496 118.700 -0.341 0.000 2.396 453 N HA 0.606 5.345 4.740 -0.000 0.000 0.275 453 N C -0.523 174.878 175.510 -0.182 0.000 1.218 453 N CA -0.325 52.586 53.050 -0.232 0.000 0.812 453 N CB 2.790 41.112 38.487 -0.274 0.000 1.592 453 N HN 0.764 nan 8.380 nan 0.000 0.480 454 G N -0.774 107.976 108.800 -0.083 0.000 2.511 454 G HA2 0.438 4.398 3.960 -0.000 0.000 0.316 454 G HA3 0.438 4.398 3.960 -0.000 0.000 0.316 454 G C 0.958 175.953 174.900 0.157 0.000 1.210 454 G CA -0.431 44.712 45.100 0.072 0.000 0.969 454 G HN 0.638 nan 8.290 nan 0.000 0.492 455 V N -3.378 116.736 119.914 0.333 0.000 3.650 455 V HA 0.631 4.751 4.120 -0.000 0.000 0.271 455 V C 0.831 177.011 176.094 0.143 0.000 1.281 455 V CA 0.850 63.224 62.300 0.124 0.000 1.120 455 V CB -0.775 31.044 31.823 -0.007 0.000 0.856 455 V HN 1.142 nan 8.190 nan 0.000 0.443 456 A N -0.565 122.371 122.820 0.192 0.000 2.587 456 A HA 0.619 4.938 4.320 -0.000 0.000 0.293 456 A C 0.604 178.266 177.584 0.130 0.000 1.087 456 A CA -0.386 51.743 52.037 0.153 0.000 0.692 456 A CB 1.358 20.443 19.000 0.142 0.000 1.291 456 A HN 0.033 nan 8.150 nan 0.000 0.407 457 K N 0.432 120.887 120.400 0.091 0.000 2.034 457 K HA -0.218 4.101 4.320 -0.000 0.000 0.214 457 K C 1.744 178.375 176.600 0.052 0.000 1.051 457 K CA 2.279 58.600 56.287 0.057 0.000 0.931 457 K CB -0.467 32.061 32.500 0.046 0.000 0.715 457 K HN 0.786 nan 8.250 nan 0.000 0.446 458 I N -0.737 119.874 120.570 0.067 0.000 2.617 458 I HA -0.193 3.976 4.170 -0.000 0.000 0.256 458 I C 2.465 178.621 176.117 0.064 0.000 1.167 458 I CA 1.407 62.738 61.300 0.053 0.000 1.469 458 I CB -0.297 37.732 38.000 0.048 0.000 1.098 458 I HN 0.139 nan 8.210 nan 0.000 0.436 459 H N 1.671 120.755 119.070 0.022 0.000 2.293 459 H HA -0.118 4.438 4.556 -0.001 0.000 0.300 459 H C 2.200 177.546 175.328 0.031 0.000 1.082 459 H CA 2.414 58.475 56.048 0.022 0.000 1.308 459 H CB -0.442 29.332 29.762 0.021 0.000 1.375 459 H HN 0.361 nan 8.280 nan 0.000 0.495 460 S N 0.248 115.862 115.700 -0.143 0.000 2.383 460 S HA -0.148 4.321 4.470 -0.000 0.000 0.229 460 S C 1.598 176.148 174.600 -0.083 0.000 1.030 460 S CA 1.318 59.427 58.200 -0.151 0.000 1.002 460 S CB -0.192 62.988 63.200 -0.033 0.000 0.829 460 S HN 0.546 nan 8.310 nan 0.000 0.467 461 D N 1.585 121.955 120.400 -0.050 0.000 2.097 461 D HA 0.002 4.642 4.640 -0.000 0.000 0.197 461 D C 1.795 178.063 176.300 -0.054 0.000 0.984 461 D CA 0.813 54.793 54.000 -0.033 0.000 0.826 461 D CB -0.385 40.406 40.800 -0.015 0.000 0.973 461 D HN 0.369 nan 8.370 nan 0.000 0.460 462 I N 0.322 120.850 120.570 -0.070 0.000 2.361 462 I HA -0.193 3.977 4.170 -0.000 0.000 0.251 462 I C 2.251 178.304 176.117 -0.105 0.000 1.133 462 I CA 0.442 61.696 61.300 -0.076 0.000 1.413 462 I CB -0.081 37.886 38.000 -0.054 0.000 1.073 462 I HN -0.101 nan 8.210 nan 0.000 0.424 463 V N 0.947 120.786 119.914 -0.125 0.000 2.283 463 V HA -0.265 3.854 4.120 -0.000 0.000 0.243 463 V C 2.539 178.702 176.094 0.116 0.000 1.039 463 V CA 1.859 64.162 62.300 0.005 0.000 1.016 463 V CB -0.619 31.211 31.823 0.011 0.000 0.650 463 V HN 0.385 nan 8.190 nan 0.000 0.449 464 K N 0.282 120.700 120.400 0.029 0.000 1.985 464 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 464 K C 2.306 178.782 176.600 -0.208 0.000 1.047 464 K CA 2.313 58.505 56.287 -0.158 0.000 0.932 464 K CB -0.325 32.143 32.500 -0.054 0.000 0.716 464 K HN 0.665 nan 8.250 nan 0.000 0.439 465 T N -1.564 112.923 114.554 -0.111 0.000 2.901 465 T HA 0.051 4.401 4.350 -0.000 0.000 0.252 465 T C 1.698 176.349 174.700 -0.082 0.000 1.035 465 T CA 0.533 62.578 62.100 -0.092 0.000 1.142 465 T CB -0.007 68.824 68.868 -0.060 0.000 0.869 465 T HN 0.033 nan 8.240 nan 0.000 0.442 466 K N 1.345 121.693 120.400 -0.086 0.000 1.997 466 K HA 0.246 4.566 4.320 -0.000 0.000 0.212 466 K C 2.459 178.980 176.600 -0.133 0.000 1.033 466 K CA 1.212 57.444 56.287 -0.092 0.000 0.950 466 K CB -1.180 31.269 32.500 -0.084 0.000 0.751 466 K HN 0.168 nan 8.250 nan 0.000 0.444 467 V N 0.458 120.235 119.914 -0.229 0.000 2.255 467 V HA -0.193 3.926 4.120 -0.000 0.000 0.247 467 V C 1.367 177.174 176.094 -0.480 0.000 1.051 467 V CA 1.711 63.744 62.300 -0.446 0.000 1.018 467 V CB -0.507 30.857 31.823 -0.766 0.000 0.641 467 V HN 0.230 nan 8.190 nan 0.000 0.445 468 F N -0.240 119.745 119.950 0.058 0.000 2.925 468 F HA 0.322 4.848 4.527 -0.001 0.000 0.302 468 F C 1.676 177.461 175.800 -0.024 0.000 1.189 468 F CA -0.262 57.810 58.000 0.121 0.000 1.346 468 F CB -0.138 38.965 39.000 0.171 0.000 0.954 468 F HN -0.053 nan 8.300 nan 0.000 0.506 469 K N 1.483 121.910 120.400 0.046 0.000 2.000 469 K HA -0.266 4.054 4.320 -0.000 0.000 0.218 469 K C 1.351 177.937 176.600 -0.022 0.000 1.053 469 K CA 2.612 58.881 56.287 -0.030 0.000 0.946 469 K CB -0.213 32.265 32.500 -0.038 0.000 0.723 469 K HN 0.433 nan 8.250 nan 0.000 0.446 470 D N -1.067 119.319 120.400 -0.024 0.000 2.392 470 D HA -0.134 4.506 4.640 -0.000 0.000 0.228 470 D C 1.219 177.383 176.300 -0.227 0.000 1.003 470 D CA 0.898 54.800 54.000 -0.162 0.000 0.917 470 D CB -0.201 40.437 40.800 -0.271 0.000 0.890 470 D HN 0.276 nan 8.370 nan 0.000 0.532 471 F N 0.487 120.452 119.950 0.025 0.000 2.419 471 F HA 0.058 4.585 4.527 -0.001 0.000 0.283 471 F C 2.662 178.512 175.800 0.082 0.000 1.044 471 F CA 0.651 58.727 58.000 0.126 0.000 1.376 471 F CB -0.177 38.993 39.000 0.283 0.000 1.131 471 F HN -0.019 nan 8.300 nan 0.000 0.585 472 S N -0.136 115.516 115.700 -0.079 0.000 2.402 472 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 472 S C 1.635 176.235 174.600 -0.001 0.000 1.021 472 S CA 1.206 59.263 58.200 -0.239 0.000 0.974 472 S CB -0.603 62.193 63.200 -0.674 0.000 0.800 472 S HN 0.438 nan 8.310 nan 0.000 0.484 473 E N 0.969 121.169 120.200 0.001 0.000 2.077 473 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 473 E C 2.068 178.730 176.600 0.102 0.000 0.989 473 E CA 0.944 57.369 56.400 0.042 0.000 0.800 473 E CB -0.259 29.459 29.700 0.030 0.000 0.746 473 E HN 0.343 nan 8.360 nan 0.000 0.452 474 L N 1.355 122.654 121.223 0.128 0.000 2.046 474 L HA -0.102 4.237 4.340 -0.000 0.000 0.208 474 L C 0.534 177.510 176.870 0.176 0.000 1.077 474 L CA 1.690 56.632 54.840 0.171 0.000 0.747 474 L CB -0.309 41.855 42.059 0.175 0.000 0.896 474 L HN 0.154 nan 8.230 nan 0.000 0.432 475 E N -1.906 118.419 120.200 0.209 0.000 2.768 475 E HA 0.240 4.589 4.350 -0.000 0.000 0.290 475 E C -2.404 174.339 176.600 0.238 0.000 1.100 475 E CA -1.576 54.950 56.400 0.209 0.000 0.768 475 E CB 0.916 30.752 29.700 0.227 0.000 1.501 475 E HN 0.022 nan 8.360 nan 0.000 0.384 476 P HA -0.208 nan 4.420 nan 0.000 0.216 476 P C 0.601 178.013 177.300 0.187 0.000 1.157 476 P CA 1.187 64.374 63.100 0.146 0.000 0.880 476 P CB 0.175 31.928 31.700 0.088 0.000 0.791 477 D N -0.970 119.518 120.400 0.146 0.000 2.389 477 D HA -0.153 4.487 4.640 -0.000 0.000 0.221 477 D C 1.739 178.108 176.300 0.115 0.000 0.974 477 D CA 0.855 54.924 54.000 0.115 0.000 0.923 477 D CB -0.329 40.523 40.800 0.086 0.000 0.892 477 D HN 0.328 nan 8.370 nan 0.000 0.518 478 K N -0.209 120.298 120.400 0.178 0.000 2.044 478 K HA -0.064 4.256 4.320 -0.000 0.000 0.204 478 K C 0.230 176.786 176.600 -0.074 0.000 1.049 478 K CA 0.323 56.640 56.287 0.051 0.000 0.945 478 K CB 0.089 32.620 32.500 0.052 0.000 0.724 478 K HN -0.090 nan 8.250 nan 0.000 0.440 479 F N 2.051 121.997 119.950 -0.006 0.000 2.456 479 F HA 0.194 4.721 4.527 -0.001 0.000 0.358 479 F C 0.493 176.258 175.800 -0.057 0.000 1.095 479 F CA 0.022 58.002 58.000 -0.033 0.000 1.216 479 F CB 1.024 40.029 39.000 0.008 0.000 1.125 479 F HN 0.107 nan 8.300 nan 0.000 0.549 480 Q N 1.292 121.101 119.800 0.015 0.000 2.882 480 Q HA 0.410 4.750 4.340 -0.000 0.000 0.315 480 Q C -1.173 174.785 176.000 -0.070 0.000 1.004 480 Q CA -1.306 54.467 55.803 -0.049 0.000 0.777 480 Q CB 2.813 31.464 28.738 -0.145 0.000 1.506 480 Q HN 0.648 nan 8.270 nan 0.000 0.489 481 N N 0.353 118.993 118.700 -0.100 0.000 2.249 481 N HA 0.279 5.019 4.740 -0.000 0.000 0.296 481 N C -1.663 173.757 175.510 -0.150 0.000 1.051 481 N CA -0.391 52.607 53.050 -0.087 0.000 0.815 481 N CB 1.300 39.766 38.487 -0.035 0.000 1.487 481 N HN 0.287 nan 8.380 nan 0.000 0.475 482 K N 2.605 122.923 120.400 -0.137 0.000 2.690 482 K HA 0.202 4.521 4.320 -0.000 0.000 0.243 482 K C -1.053 175.571 176.600 0.040 0.000 0.982 482 K CA -0.496 55.696 56.287 -0.160 0.000 0.955 482 K CB 1.475 33.676 32.500 -0.499 0.000 1.185 482 K HN 0.540 nan 8.250 nan 0.000 0.467 483 T N 2.295 116.889 114.554 0.067 0.000 2.870 483 T HA 0.114 4.464 4.350 -0.000 0.000 0.300 483 T C 0.694 175.527 174.700 0.222 0.000 0.989 483 T CA 0.106 62.288 62.100 0.137 0.000 1.139 483 T CB 0.271 69.208 68.868 0.115 0.000 0.920 483 T HN 0.366 nan 8.240 nan 0.000 0.537 484 N N 0.779 119.630 118.700 0.251 0.000 2.307 484 N HA 0.349 5.089 4.740 -0.000 0.000 0.230 484 N C 0.527 176.227 175.510 0.316 0.000 1.297 484 N CA -0.200 53.032 53.050 0.302 0.000 0.884 484 N CB 0.400 39.008 38.487 0.202 0.000 1.115 484 N HN 0.732 nan 8.380 nan 0.000 0.436 485 G N -0.251 108.753 108.800 0.340 0.000 2.949 485 G HA2 0.716 4.675 3.960 -0.000 0.000 0.285 485 G HA3 0.716 4.675 3.960 -0.000 0.000 0.285 485 G C -1.546 173.491 174.900 0.229 0.000 1.395 485 G CA -0.326 44.955 45.100 0.302 0.000 0.901 485 G HN 0.363 nan 8.290 nan 0.000 0.519 486 I N -0.668 120.023 120.570 0.201 0.000 2.722 486 I HA 0.462 4.632 4.170 -0.000 0.000 0.295 486 I C 0.100 176.360 176.117 0.238 0.000 1.161 486 I CA -0.449 60.943 61.300 0.153 0.000 1.032 486 I CB 2.641 40.633 38.000 -0.014 0.000 1.244 486 I HN 0.448 nan 8.210 nan 0.000 0.421 487 T N 6.735 121.496 114.554 0.345 0.000 2.794 487 T HA 0.346 4.696 4.350 -0.000 0.000 0.296 487 T C -1.748 173.098 174.700 0.243 0.000 0.949 487 T CA -1.552 60.696 62.100 0.247 0.000 1.101 487 T CB 0.887 69.854 68.868 0.165 0.000 0.905 487 T HN 0.407 nan 8.240 nan 0.000 0.516 488 P HA 0.078 nan 4.420 nan 0.000 0.242 488 P C 0.921 178.202 177.300 -0.031 0.000 1.197 488 P CA 0.195 63.339 63.100 0.074 0.000 0.765 488 P CB 0.445 32.164 31.700 0.032 0.000 0.936 489 R N 0.642 121.088 120.500 -0.089 0.000 2.046 489 R HA 0.074 4.414 4.340 -0.000 0.000 0.223 489 R C 2.682 178.876 176.300 -0.177 0.000 1.179 489 R CA 1.383 57.385 56.100 -0.164 0.000 0.952 489 R CB -1.183 29.030 30.300 -0.145 0.000 0.843 489 R HN -0.004 nan 8.270 nan 0.000 0.439 490 R N -0.748 119.579 120.500 -0.289 0.000 2.148 490 R HA -0.114 4.225 4.340 -0.000 0.000 0.227 490 R C 0.856 176.769 176.300 -0.644 0.000 1.103 490 R CA 1.510 57.269 56.100 -0.569 0.000 0.983 490 R CB -0.087 29.693 30.300 -0.867 0.000 0.874 490 R HN 0.311 nan 8.270 nan 0.000 0.451 491 W N -0.564 120.690 121.300 -0.077 0.000 3.278 491 W HA 0.269 4.929 4.660 -0.001 0.000 0.308 491 W C 1.290 177.774 176.519 -0.058 0.000 1.253 491 W CA -0.644 56.652 57.345 -0.081 0.000 1.759 491 W CB 0.513 29.924 29.460 -0.081 0.000 1.093 491 W HN 0.098 nan 8.180 nan 0.000 0.648 492 L N -1.589 119.696 121.223 0.104 0.000 2.681 492 L HA 0.115 4.454 4.340 -0.000 0.000 0.163 492 L C 1.898 178.790 176.870 0.036 0.000 1.188 492 L CA 0.217 55.108 54.840 0.086 0.000 0.944 492 L CB -0.690 41.442 42.059 0.122 0.000 1.835 492 L HN -0.171 nan 8.230 nan 0.000 0.510 493 L N 0.618 121.843 121.223 0.003 0.000 2.042 493 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 493 L C 2.441 179.292 176.870 -0.030 0.000 1.076 493 L CA 1.277 56.111 54.840 -0.011 0.000 0.749 493 L CB -0.602 41.420 42.059 -0.063 0.000 0.893 493 L HN 0.361 nan 8.230 nan 0.000 0.432 494 L N 0.659 121.834 121.223 -0.079 0.000 1.982 494 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 494 L C 2.896 179.709 176.870 -0.095 0.000 1.078 494 L CA 1.995 56.770 54.840 -0.108 0.000 0.749 494 L CB -0.582 41.359 42.059 -0.196 0.000 0.894 494 L HN 0.507 nan 8.230 nan 0.000 0.436 495 C N -0.872 118.359 119.300 -0.115 0.000 2.432 495 C HA 0.015 4.475 4.460 -0.000 0.000 0.280 495 C C 1.458 176.434 174.990 -0.022 0.000 1.353 495 C CA 0.362 59.335 59.018 -0.075 0.000 1.766 495 C CB -1.381 26.325 27.740 -0.058 0.000 1.924 495 C HN 0.680 nan 8.230 nan 0.000 0.509 496 N N 1.249 119.948 118.700 -0.002 0.000 2.765 496 N HA 0.274 5.013 4.740 -0.000 0.000 0.277 496 N C -1.730 173.790 175.510 0.016 0.000 1.750 496 N CA -1.533 51.525 53.050 0.013 0.000 0.827 496 N CB 0.743 39.246 38.487 0.027 0.000 1.200 496 N HN 0.325 nan 8.380 nan 0.000 0.494 497 P HA -0.054 nan 4.420 nan 0.000 0.221 497 P C 1.295 178.607 177.300 0.020 0.000 1.145 497 P CA 0.799 63.910 63.100 0.018 0.000 0.795 497 P CB 0.346 32.053 31.700 0.011 0.000 0.775 498 G N 0.796 109.603 108.800 0.011 0.000 2.414 498 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.215 498 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.215 498 G C 1.622 176.517 174.900 -0.007 0.000 1.188 498 G CA 0.242 45.342 45.100 0.000 0.000 0.783 498 G HN 0.230 nan 8.290 nan 0.000 0.537 499 L N 0.634 121.853 121.223 -0.008 0.000 2.017 499 L HA -0.058 4.281 4.340 -0.000 0.000 0.208 499 L C 3.298 180.159 176.870 -0.014 0.000 1.073 499 L CA 1.537 56.365 54.840 -0.021 0.000 0.745 499 L CB -0.377 41.677 42.059 -0.010 0.000 0.894 499 L HN 0.322 nan 8.230 nan 0.000 0.432 500 A N -0.413 122.425 122.820 0.031 0.000 1.940 500 A HA -0.310 4.009 4.320 -0.000 0.000 0.219 500 A C 2.154 179.793 177.584 0.091 0.000 1.176 500 A CA 2.099 54.194 52.037 0.098 0.000 0.631 500 A CB -0.558 18.527 19.000 0.142 0.000 0.814 500 A HN 0.629 nan 8.150 nan 0.000 0.446 501 E N -0.577 119.655 120.200 0.052 0.000 2.158 501 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 501 E C 1.926 178.535 176.600 0.014 0.000 0.982 501 E CA 0.550 56.977 56.400 0.044 0.000 0.823 501 E CB -0.155 29.563 29.700 0.031 0.000 0.766 501 E HN 0.587 nan 8.360 nan 0.000 0.468 502 L N 0.797 122.015 121.223 -0.008 0.000 2.027 502 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 502 L C 2.332 179.191 176.870 -0.018 0.000 1.074 502 L CA 1.090 55.929 54.840 -0.002 0.000 0.745 502 L CB -0.195 41.843 42.059 -0.035 0.000 0.898 502 L HN 0.314 nan 8.230 nan 0.000 0.433 503 I N -0.137 120.370 120.570 -0.106 0.000 2.286 503 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 503 I C 2.622 178.554 176.117 -0.308 0.000 1.115 503 I CA 1.215 62.343 61.300 -0.286 0.000 1.392 503 I CB -0.413 37.265 38.000 -0.538 0.000 1.065 503 I HN 0.267 nan 8.210 nan 0.000 0.418 504 A N -0.126 122.614 122.820 -0.135 0.000 2.016 504 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 504 A C 2.200 179.796 177.584 0.019 0.000 1.162 504 A CA 0.957 53.026 52.037 0.054 0.000 0.662 504 A CB -0.419 18.724 19.000 0.238 0.000 0.812 504 A HN 0.412 nan 8.150 nan 0.000 0.450 505 E N -0.577 119.617 120.200 -0.010 0.000 2.409 505 E HA -0.134 4.216 4.350 -0.000 0.000 0.198 505 E C 1.328 177.908 176.600 -0.033 0.000 1.024 505 E CA 0.802 57.200 56.400 -0.002 0.000 0.861 505 E CB 0.151 29.857 29.700 0.010 0.000 0.788 505 E HN 0.333 nan 8.360 nan 0.000 0.521 506 K N -0.406 119.920 120.400 -0.123 0.000 2.344 506 K HA 0.119 4.439 4.320 -0.000 0.000 0.200 506 K C 1.781 178.343 176.600 -0.063 0.000 1.132 506 K CA 0.527 56.692 56.287 -0.204 0.000 0.935 506 K CB 0.376 32.389 32.500 -0.811 0.000 1.089 506 K HN 0.249 nan 8.250 nan 0.000 0.496 507 I N -2.430 118.085 120.570 -0.091 0.000 3.936 507 I HA 0.397 4.567 4.170 -0.000 0.000 0.330 507 I C 0.462 176.619 176.117 0.067 0.000 1.509 507 I CA -0.196 61.106 61.300 0.005 0.000 1.126 507 I CB 0.478 38.466 38.000 -0.020 0.000 1.115 507 I HN 0.145 nan 8.210 nan 0.000 0.424 508 G N 2.287 111.134 108.800 0.078 0.000 2.642 508 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.231 508 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.231 508 G C 0.035 175.084 174.900 0.249 0.000 1.338 508 G CA 0.385 45.561 45.100 0.127 0.000 0.883 508 G HN 0.534 nan 8.290 nan 0.000 0.570 509 E N -0.168 120.144 120.200 0.185 0.000 2.526 509 E HA 0.127 4.477 4.350 -0.000 0.000 0.208 509 E C 1.036 177.609 176.600 -0.044 0.000 0.997 509 E CA 0.096 56.567 56.400 0.118 0.000 0.961 509 E CB 0.317 30.051 29.700 0.056 0.000 1.030 509 E HN 0.442 nan 8.360 nan 0.000 0.483 510 D N 0.735 121.170 120.400 0.058 0.000 2.309 510 D HA -0.173 4.467 4.640 -0.000 0.000 0.212 510 D C 1.644 177.940 176.300 -0.007 0.000 0.968 510 D CA 0.864 54.874 54.000 0.018 0.000 0.882 510 D CB -0.100 40.733 40.800 0.054 0.000 0.918 510 D HN 0.465 nan 8.370 nan 0.000 0.503 511 Y N 0.261 120.561 120.300 0.000 0.000 2.352 511 Y HA -0.152 4.398 4.550 -0.001 0.000 0.292 511 Y C 2.209 178.089 175.900 -0.034 0.000 1.136 511 Y CA 0.792 58.886 58.100 -0.010 0.000 1.227 511 Y CB -1.038 37.415 38.460 -0.012 0.000 0.991 511 Y HN -0.051 nan 8.280 nan 0.000 0.545 512 V N -0.052 119.309 119.914 -0.921 0.000 2.332 512 V HA -0.233 3.886 4.120 -0.000 0.000 0.248 512 V C 1.778 177.657 176.094 -0.358 0.000 1.055 512 V CA 2.186 64.042 62.300 -0.740 0.000 1.038 512 V CB -0.662 30.628 31.823 -0.888 0.000 0.651 512 V HN 0.454 nan 8.190 nan 0.000 0.450 513 K N 0.262 120.530 120.400 -0.220 0.000 2.374 513 K HA 0.185 4.504 4.320 -0.000 0.000 0.196 513 K C 0.051 176.630 176.600 -0.036 0.000 1.023 513 K CA 0.672 56.906 56.287 -0.090 0.000 1.103 513 K CB 0.269 32.761 32.500 -0.014 0.000 0.848 513 K HN 0.588 nan 8.250 nan 0.000 0.528 514 D N 0.785 121.168 120.400 -0.029 0.000 2.586 514 D HA 0.069 4.708 4.640 -0.000 0.000 0.254 514 D C 0.373 176.706 176.300 0.055 0.000 1.248 514 D CA -0.263 53.747 54.000 0.017 0.000 0.843 514 D CB 0.521 41.337 40.800 0.025 0.000 1.332 514 D HN -0.188 nan 8.370 nan 0.000 0.523 515 L N 1.735 122.994 121.223 0.060 0.000 2.127 515 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 515 L C 2.247 179.173 176.870 0.094 0.000 1.089 515 L CA 2.213 57.117 54.840 0.108 0.000 0.757 515 L CB -0.550 41.568 42.059 0.098 0.000 0.899 515 L HN 0.483 nan 8.230 nan 0.000 0.434 516 S N -1.774 113.960 115.700 0.057 0.000 2.419 516 S HA -0.300 4.169 4.470 -0.000 0.000 0.235 516 S C 1.901 176.537 174.600 0.060 0.000 1.019 516 S CA 1.114 59.339 58.200 0.042 0.000 0.982 516 S CB -0.632 62.579 63.200 0.018 0.000 0.789 516 S HN 0.546 nan 8.310 nan 0.000 0.490 517 Q N 1.040 120.887 119.800 0.077 0.000 2.443 517 Q HA 0.118 4.457 4.340 -0.000 0.000 0.213 517 Q C 1.612 177.655 176.000 0.071 0.000 0.982 517 Q CA 0.899 56.753 55.803 0.085 0.000 0.894 517 Q CB -0.800 28.008 28.738 0.118 0.000 0.947 517 Q HN 0.701 nan 8.270 nan 0.000 0.480 518 L N -0.185 121.074 121.223 0.060 0.000 2.549 518 L HA -0.098 4.241 4.340 -0.000 0.000 0.229 518 L C 1.933 178.792 176.870 -0.019 0.000 1.158 518 L CA 1.267 56.106 54.840 -0.002 0.000 0.842 518 L CB -0.663 41.398 42.059 0.003 0.000 0.952 518 L HN 0.419 nan 8.230 nan 0.000 0.452 519 T N -4.007 110.582 114.554 0.058 0.000 2.995 519 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 519 T C 1.609 176.416 174.700 0.177 0.000 1.091 519 T CA 0.512 62.713 62.100 0.168 0.000 1.128 519 T CB -0.159 68.832 68.868 0.205 0.000 0.891 519 T HN 0.277 nan 8.240 nan 0.000 0.492 520 K N 0.741 121.195 120.400 0.089 0.000 2.574 520 K HA 0.225 4.545 4.320 -0.000 0.000 0.193 520 K C 1.595 178.273 176.600 0.131 0.000 1.035 520 K CA 0.303 56.650 56.287 0.100 0.000 0.982 520 K CB -0.246 32.303 32.500 0.083 0.000 0.795 520 K HN 0.403 nan 8.250 nan 0.000 0.491 521 L N -0.428 120.805 121.223 0.015 0.000 2.509 521 L HA -0.036 4.304 4.340 -0.000 0.000 0.222 521 L C 1.417 178.332 176.870 0.075 0.000 1.123 521 L CA 0.582 55.415 54.840 -0.012 0.000 0.856 521 L CB -0.248 41.697 42.059 -0.190 0.000 0.985 521 L HN 0.270 nan 8.230 nan 0.000 0.456 522 H N -1.296 117.839 119.070 0.109 0.000 2.457 522 H HA -0.054 4.502 4.556 -0.001 0.000 0.294 522 H C 2.052 177.393 175.328 0.021 0.000 1.064 522 H CA 1.000 57.088 56.048 0.067 0.000 1.330 522 H CB 0.230 30.009 29.762 0.028 0.000 1.395 522 H HN 0.140 nan 8.280 nan 0.000 0.541 523 S N 0.167 115.908 115.700 0.069 0.000 2.727 523 S HA -0.021 4.449 4.470 -0.000 0.000 0.226 523 S C 0.074 174.314 174.600 -0.600 0.000 0.963 523 S CA 0.570 58.627 58.200 -0.237 0.000 0.950 523 S CB -0.169 62.830 63.200 -0.335 0.000 0.779 523 S HN 0.340 nan 8.310 nan 0.000 0.532 524 F N -1.239 118.640 119.950 -0.118 0.000 2.856 524 F HA 0.351 4.878 4.527 -0.000 0.000 0.338 524 F C 1.138 176.936 175.800 -0.004 0.000 1.100 524 F CA -0.415 57.491 58.000 -0.157 0.000 1.150 524 F CB -0.018 38.665 39.000 -0.529 0.000 1.101 524 F HN 0.088 nan 8.300 nan 0.000 0.548 525 L N 0.866 122.184 121.223 0.159 0.000 2.079 525 L HA -0.047 4.292 4.340 -0.000 0.000 0.210 525 L C 2.270 179.212 176.870 0.121 0.000 1.081 525 L CA 2.230 57.164 54.840 0.157 0.000 0.752 525 L CB -1.105 41.043 42.059 0.148 0.000 0.896 525 L HN 0.220 nan 8.230 nan 0.000 0.433 526 G N -2.128 106.717 108.800 0.075 0.000 2.551 526 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.216 526 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.216 526 G C 0.423 175.370 174.900 0.078 0.000 1.137 526 G CA 0.032 45.166 45.100 0.056 0.000 0.798 526 G HN 0.356 nan 8.290 nan 0.000 0.536 527 D N 0.521 120.990 120.400 0.115 0.000 2.401 527 D HA 0.071 4.711 4.640 -0.000 0.000 0.254 527 D C 0.338 176.754 176.300 0.194 0.000 1.192 527 D CA -0.117 53.980 54.000 0.162 0.000 0.885 527 D CB 1.398 42.348 40.800 0.249 0.000 1.147 527 D HN 0.098 nan 8.370 nan 0.000 0.478 528 D N 2.351 122.832 120.400 0.134 0.000 2.366 528 D HA -0.042 4.597 4.640 -0.000 0.000 0.205 528 D C 1.752 178.108 176.300 0.094 0.000 1.022 528 D CA 0.199 54.260 54.000 0.102 0.000 0.868 528 D CB 0.536 41.374 40.800 0.062 0.000 0.953 528 D HN 0.226 nan 8.370 nan 0.000 0.514 529 V N 0.585 120.572 119.914 0.121 0.000 2.453 529 V HA -0.111 4.009 4.120 -0.000 0.000 0.247 529 V C 2.112 178.282 176.094 0.126 0.000 1.048 529 V CA 1.274 63.636 62.300 0.103 0.000 1.049 529 V CB -0.748 31.142 31.823 0.111 0.000 0.672 529 V HN 0.235 nan 8.190 nan 0.000 0.457 530 F N 0.800 120.780 119.950 0.050 0.000 2.113 530 F HA -0.111 4.416 4.527 -0.000 0.000 0.297 530 F C 1.921 177.720 175.800 -0.003 0.000 1.103 530 F CA 1.465 59.477 58.000 0.021 0.000 1.248 530 F CB -0.335 38.701 39.000 0.060 0.000 0.999 530 F HN 0.052 nan 8.300 nan 0.000 0.475 531 L N 0.998 122.178 121.223 -0.073 0.000 2.353 531 L HA -0.151 4.189 4.340 -0.000 0.000 0.220 531 L C 2.574 179.342 176.870 -0.169 0.000 1.133 531 L CA 1.252 55.988 54.840 -0.172 0.000 0.798 531 L CB -1.209 40.856 42.059 0.010 0.000 0.922 531 L HN 0.188 nan 8.230 nan 0.000 0.445 532 R N 0.479 120.911 120.500 -0.112 0.000 2.062 532 R HA -0.150 4.190 4.340 -0.000 0.000 0.231 532 R C 1.928 178.146 176.300 -0.137 0.000 1.136 532 R CA 1.791 57.838 56.100 -0.089 0.000 0.948 532 R CB -0.229 30.047 30.300 -0.039 0.000 0.845 532 R HN 0.449 nan 8.270 nan 0.000 0.430 533 E N 0.809 120.899 120.200 -0.183 0.000 2.077 533 E HA -0.200 4.149 4.350 -0.000 0.000 0.193 533 E C 2.063 178.497 176.600 -0.276 0.000 0.989 533 E CA 1.220 57.499 56.400 -0.201 0.000 0.800 533 E CB -0.264 29.319 29.700 -0.196 0.000 0.746 533 E HN 0.127 nan 8.360 nan 0.000 0.452 534 L N 1.186 122.130 121.223 -0.465 0.000 1.990 534 L HA -0.213 4.126 4.340 -0.000 0.000 0.213 534 L C 2.249 178.993 176.870 -0.209 0.000 1.072 534 L CA 2.257 56.841 54.840 -0.426 0.000 0.755 534 L CB -0.676 41.039 42.059 -0.572 0.000 0.889 534 L HN 0.085 nan 8.230 nan 0.000 0.432 535 A N -1.510 121.211 122.820 -0.164 0.000 2.014 535 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 535 A C 2.355 179.882 177.584 -0.095 0.000 1.163 535 A CA 1.297 53.276 52.037 -0.096 0.000 0.652 535 A CB -0.494 18.456 19.000 -0.084 0.000 0.808 535 A HN 0.362 nan 8.150 nan 0.000 0.449 536 K N 0.010 120.347 120.400 -0.105 0.000 2.057 536 K HA -0.070 4.249 4.320 -0.000 0.000 0.207 536 K C 1.935 178.492 176.600 -0.071 0.000 1.049 536 K CA 1.432 57.670 56.287 -0.082 0.000 0.931 536 K CB -0.481 31.973 32.500 -0.078 0.000 0.714 536 K HN 0.301 nan 8.250 nan 0.000 0.440 537 V N 1.556 121.420 119.914 -0.083 0.000 2.332 537 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 537 V C 2.418 178.486 176.094 -0.043 0.000 1.055 537 V CA 1.921 64.184 62.300 -0.061 0.000 1.038 537 V CB -0.394 31.383 31.823 -0.078 0.000 0.651 537 V HN 0.286 nan 8.190 nan 0.000 0.450 538 K N 0.258 120.629 120.400 -0.048 0.000 2.148 538 K HA -0.196 4.123 4.320 -0.000 0.000 0.204 538 K C 2.085 178.647 176.600 -0.063 0.000 1.050 538 K CA 1.487 57.753 56.287 -0.034 0.000 0.942 538 K CB -0.321 32.172 32.500 -0.013 0.000 0.724 538 K HN 0.387 nan 8.250 nan 0.000 0.446 539 Q N 0.562 120.317 119.800 -0.074 0.000 2.172 539 Q HA -0.048 4.292 4.340 -0.000 0.000 0.200 539 Q C 1.528 177.501 176.000 -0.046 0.000 0.964 539 Q CA 1.419 57.169 55.803 -0.089 0.000 0.855 539 Q CB 0.017 28.706 28.738 -0.081 0.000 0.918 539 Q HN 0.301 nan 8.270 nan 0.000 0.444 540 E N 0.351 120.536 120.200 -0.025 0.000 2.031 540 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 540 E C 1.703 178.322 176.600 0.032 0.000 0.994 540 E CA 1.379 57.781 56.400 0.003 0.000 0.800 540 E CB -0.496 29.204 29.700 -0.001 0.000 0.752 540 E HN 0.597 nan 8.360 nan 0.000 0.447 541 N N 0.682 119.399 118.700 0.028 0.000 2.223 541 N HA -0.140 4.600 4.740 -0.000 0.000 0.185 541 N C 1.766 177.353 175.510 0.128 0.000 1.016 541 N CA 0.763 53.853 53.050 0.067 0.000 0.863 541 N CB -0.024 38.489 38.487 0.042 0.000 0.983 541 N HN 0.111 nan 8.380 nan 0.000 0.429 542 K N 0.445 120.875 120.400 0.049 0.000 2.167 542 K HA -0.007 4.312 4.320 -0.000 0.000 0.203 542 K C 1.799 178.502 176.600 0.172 0.000 1.052 542 K CA 0.477 56.787 56.287 0.038 0.000 0.956 542 K CB 0.047 32.295 32.500 -0.421 0.000 0.735 542 K HN 0.031 nan 8.250 nan 0.000 0.451 543 L N 1.688 122.971 121.223 0.100 0.000 2.027 543 L HA -0.164 4.176 4.340 -0.000 0.000 0.206 543 L C 2.397 179.367 176.870 0.166 0.000 1.074 543 L CA 1.623 56.533 54.840 0.116 0.000 0.745 543 L CB -0.272 41.826 42.059 0.065 0.000 0.898 543 L HN 0.059 nan 8.230 nan 0.000 0.433 544 K N -1.102 119.401 120.400 0.173 0.000 2.057 544 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 544 K C 2.268 179.037 176.600 0.281 0.000 1.049 544 K CA 1.617 58.019 56.287 0.190 0.000 0.931 544 K CB -0.268 32.329 32.500 0.162 0.000 0.714 544 K HN 0.156 nan 8.250 nan 0.000 0.440 545 F N 1.658 121.729 119.950 0.201 0.000 2.234 545 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 545 F C 2.211 178.198 175.800 0.312 0.000 1.087 545 F CA 1.173 59.326 58.000 0.254 0.000 1.340 545 F CB -0.229 38.928 39.000 0.262 0.000 1.031 545 F HN 0.002 nan 8.300 nan 0.000 0.500 546 S N 0.046 115.934 115.700 0.314 0.000 2.370 546 S HA -0.261 4.208 4.470 -0.000 0.000 0.226 546 S C 1.897 176.543 174.600 0.077 0.000 1.033 546 S CA 1.544 59.865 58.200 0.201 0.000 1.011 546 S CB -0.417 62.943 63.200 0.267 0.000 0.852 546 S HN 0.521 nan 8.310 nan 0.000 0.457 547 Q N -0.125 119.736 119.800 0.102 0.000 2.030 547 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 547 Q C 1.962 177.977 176.000 0.024 0.000 0.986 547 Q CA 1.635 57.477 55.803 0.065 0.000 0.843 547 Q CB -0.408 28.384 28.738 0.090 0.000 0.904 547 Q HN 0.571 nan 8.270 nan 0.000 0.420 548 F N 1.449 121.328 119.950 -0.118 0.000 2.091 548 F HA -0.268 4.259 4.527 -0.000 0.000 0.299 548 F C 1.852 177.540 175.800 -0.186 0.000 1.103 548 F CA 1.478 59.368 58.000 -0.182 0.000 1.228 548 F CB -0.210 38.604 39.000 -0.311 0.000 0.984 548 F HN -0.030 nan 8.300 nan 0.000 0.477 549 L N -0.022 121.091 121.223 -0.184 0.000 2.017 549 L HA -0.222 4.117 4.340 -0.000 0.000 0.208 549 L C 2.486 179.346 176.870 -0.016 0.000 1.073 549 L CA 1.816 56.610 54.840 -0.076 0.000 0.745 549 L CB -0.798 41.162 42.059 -0.164 0.000 0.894 549 L HN 0.187 nan 8.230 nan 0.000 0.432 550 E N -0.622 119.549 120.200 -0.048 0.000 2.051 550 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 550 E C 2.136 178.690 176.600 -0.077 0.000 0.991 550 E CA 1.804 58.185 56.400 -0.032 0.000 0.799 550 E CB -0.114 29.579 29.700 -0.012 0.000 0.748 550 E HN 0.452 nan 8.360 nan 0.000 0.449 551 T N 0.795 115.269 114.554 -0.132 0.000 2.708 551 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 551 T C 1.743 176.284 174.700 -0.265 0.000 1.037 551 T CA 1.424 63.422 62.100 -0.170 0.000 1.146 551 T CB -0.140 68.624 68.868 -0.174 0.000 0.865 551 T HN 0.038 nan 8.240 nan 0.000 0.435 552 E N -0.478 119.455 120.200 -0.445 0.000 2.299 552 E HA 0.073 4.423 4.350 -0.000 0.000 0.193 552 E C 0.990 177.156 176.600 -0.724 0.000 0.998 552 E CA 0.672 56.675 56.400 -0.660 0.000 0.851 552 E CB 0.072 29.128 29.700 -1.074 0.000 0.795 552 E HN 0.654 nan 8.360 nan 0.000 0.492 553 Y N -0.952 119.229 120.300 -0.200 0.000 2.426 553 Y HA 0.260 4.810 4.550 -0.001 0.000 0.249 553 Y C 0.001 175.851 175.900 -0.084 0.000 1.103 553 Y CA -0.446 57.584 58.100 -0.116 0.000 1.256 553 Y CB 0.726 39.125 38.460 -0.102 0.000 1.208 553 Y HN -0.287 nan 8.280 nan 0.000 0.519 554 K N 0.670 121.081 120.400 0.018 0.000 3.244 554 K HA -0.113 4.207 4.320 -0.000 0.000 0.270 554 K C -1.484 175.131 176.600 0.026 0.000 1.016 554 K CA 0.297 56.587 56.287 0.004 0.000 0.754 554 K CB -1.754 30.740 32.500 -0.011 0.000 1.326 554 K HN 0.095 nan 8.250 nan 0.000 0.465 555 V N 0.665 120.598 119.914 0.033 0.000 2.623 555 V HA 0.283 4.403 4.120 -0.000 0.000 0.304 555 V C -0.114 175.985 176.094 0.009 0.000 1.054 555 V CA -1.071 61.239 62.300 0.017 0.000 0.882 555 V CB 1.968 33.796 31.823 0.008 0.000 1.002 555 V HN 0.169 nan 8.190 nan 0.000 0.424 556 K N 5.390 125.796 120.400 0.010 0.000 2.402 556 K HA 0.285 4.604 4.320 -0.000 0.000 0.285 556 K C -0.657 175.958 176.600 0.024 0.000 1.054 556 K CA 0.092 56.390 56.287 0.018 0.000 1.001 556 K CB -0.023 32.488 32.500 0.019 0.000 0.946 556 K HN 0.409 nan 8.250 nan 0.000 0.473 557 I N 4.127 124.721 120.570 0.041 0.000 2.336 557 I HA 0.154 4.323 4.170 -0.000 0.000 0.292 557 I C 0.134 176.322 176.117 0.118 0.000 0.991 557 I CA -0.785 60.557 61.300 0.071 0.000 1.227 557 I CB 1.143 39.190 38.000 0.079 0.000 1.366 557 I HN 0.608 nan 8.210 nan 0.000 0.466 558 N N 8.945 127.728 118.700 0.139 0.000 2.402 558 N HA 0.193 4.933 4.740 -0.000 0.000 0.252 558 N C -1.900 173.730 175.510 0.200 0.000 1.118 558 N CA -1.752 51.380 53.050 0.137 0.000 0.945 558 N CB 1.402 39.957 38.487 0.113 0.000 1.147 558 N HN 0.243 nan 8.380 nan 0.000 0.495 559 P HA -0.029 nan 4.420 nan 0.000 0.219 559 P C 0.618 177.898 177.300 -0.033 0.000 1.146 559 P CA 1.029 64.177 63.100 0.079 0.000 0.808 559 P CB 0.387 32.119 31.700 0.052 0.000 0.779 560 S N -1.563 114.144 115.700 0.011 0.000 2.603 560 S HA 0.057 4.527 4.470 -0.000 0.000 0.220 560 S C 1.100 175.720 174.600 0.032 0.000 0.967 560 S CA 0.053 58.251 58.200 -0.003 0.000 0.920 560 S CB -0.528 62.679 63.200 0.013 0.000 0.773 560 S HN 0.132 nan 8.310 nan 0.000 0.529 561 S N 0.956 116.693 115.700 0.062 0.000 2.587 561 S HA 0.217 4.687 4.470 -0.000 0.000 0.260 561 S C 1.274 175.864 174.600 -0.017 0.000 1.353 561 S CA -0.305 57.942 58.200 0.078 0.000 0.995 561 S CB 0.333 63.663 63.200 0.218 0.000 0.912 561 S HN 0.414 nan 8.310 nan 0.000 0.568 562 M N 1.480 120.953 119.600 -0.212 0.000 2.123 562 M HA 0.090 4.570 4.480 -0.000 0.000 0.263 562 M C -0.672 175.638 176.300 0.017 0.000 1.069 562 M CA 1.511 56.501 55.300 -0.517 0.000 1.133 562 M CB -0.131 31.952 32.600 -0.862 0.000 1.356 562 M HN 0.665 nan 8.290 nan 0.000 0.415 563 F N 1.746 121.595 119.950 -0.169 0.000 2.349 563 F HA -0.149 4.377 4.527 -0.000 0.000 0.463 563 F C -0.599 175.138 175.800 -0.106 0.000 1.204 563 F CA -0.033 57.924 58.000 -0.071 0.000 1.483 563 F CB -2.172 36.829 39.000 0.002 0.000 2.274 563 F HN 0.269 nan 8.300 nan 0.000 0.756 564 D N 2.458 122.844 120.400 -0.023 0.000 2.428 564 D HA 0.515 5.155 4.640 -0.000 0.000 0.221 564 D C -0.609 175.615 176.300 -0.127 0.000 1.123 564 D CA -0.062 53.881 54.000 -0.095 0.000 0.869 564 D CB 1.048 41.779 40.800 -0.115 0.000 1.032 564 D HN 0.290 nan 8.370 nan 0.000 0.506 565 V N 1.981 121.794 119.914 -0.169 0.000 2.715 565 V HA 0.641 4.761 4.120 -0.000 0.000 0.310 565 V C -1.007 174.924 176.094 -0.272 0.000 1.054 565 V CA -0.693 61.486 62.300 -0.201 0.000 0.928 565 V CB 1.853 33.590 31.823 -0.143 0.000 1.007 565 V HN 0.520 nan 8.190 nan 0.000 0.437 566 Q N 3.757 123.414 119.800 -0.238 0.000 2.786 566 Q HA 0.572 4.912 4.340 -0.000 0.000 0.240 566 Q C -1.559 174.274 176.000 -0.278 0.000 0.928 566 Q CA -0.577 55.086 55.803 -0.233 0.000 0.721 566 Q CB 1.881 30.510 28.738 -0.182 0.000 1.318 566 Q HN 1.164 nan 8.270 nan 0.000 0.474 567 V N 1.624 121.355 119.914 -0.305 0.000 2.378 567 V HA 0.848 4.968 4.120 -0.000 0.000 0.288 567 V C -0.714 175.150 176.094 -0.383 0.000 1.016 567 V CA -0.438 61.500 62.300 -0.602 0.000 0.840 567 V CB 0.931 32.047 31.823 -1.178 0.000 0.994 567 V HN 0.773 nan 8.190 nan 0.000 0.431 568 K N 3.165 123.421 120.400 -0.240 0.000 2.999 568 K HA 0.399 4.718 4.320 -0.000 0.000 0.295 568 K C -0.890 175.725 176.600 0.025 0.000 1.082 568 K CA -1.270 55.011 56.287 -0.010 0.000 0.816 568 K CB 1.267 33.736 32.500 -0.051 0.000 1.492 568 K HN 0.813 nan 8.250 nan 0.000 0.362 569 R N 1.026 121.570 120.500 0.073 0.000 2.585 569 R HA 0.153 4.493 4.340 -0.000 0.000 0.275 569 R C 0.007 176.336 176.300 0.048 0.000 1.018 569 R CA -0.505 55.656 56.100 0.101 0.000 1.072 569 R CB -0.013 30.373 30.300 0.144 0.000 0.953 569 R HN 0.377 nan 8.270 nan 0.000 0.419 570 I N 4.087 124.696 120.570 0.065 0.000 2.421 570 I HA 0.124 4.293 4.170 -0.000 0.000 0.291 570 I C 0.373 176.448 176.117 -0.069 0.000 1.089 570 I CA 0.463 61.752 61.300 -0.017 0.000 1.354 570 I CB -0.711 37.284 38.000 -0.008 0.000 1.413 570 I HN 0.679 nan 8.210 nan 0.000 0.513 571 H N 4.732 123.698 119.070 -0.175 0.000 3.016 571 H HA 0.256 4.812 4.556 -0.000 0.000 0.362 571 H C 0.469 175.688 175.328 -0.181 0.000 1.233 571 H CA -0.432 55.563 56.048 -0.088 0.000 1.124 571 H CB 2.096 31.854 29.762 -0.006 0.000 1.850 571 H HN 0.543 nan 8.280 nan 0.000 0.549 572 E N 1.446 121.783 120.200 0.227 0.000 2.077 572 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 572 E C 1.407 177.826 176.600 -0.301 0.000 0.989 572 E CA 1.592 58.035 56.400 0.071 0.000 0.800 572 E CB -0.013 29.893 29.700 0.343 0.000 0.746 572 E HN 0.575 nan 8.360 nan 0.000 0.452 573 Y N 0.332 120.136 120.300 -0.826 0.000 2.421 573 Y HA 0.027 4.577 4.550 -0.001 0.000 0.292 573 Y C 1.669 177.277 175.900 -0.485 0.000 1.136 573 Y CA 0.514 57.860 58.100 -1.258 0.000 1.255 573 Y CB 0.071 37.715 38.460 -1.360 0.000 0.991 573 Y HN -0.235 nan 8.280 nan 0.000 0.552 574 K N 0.620 120.461 120.400 -0.931 0.000 2.432 574 K HA 0.030 4.349 4.320 -0.000 0.000 0.196 574 K C 0.752 177.137 176.600 -0.357 0.000 1.038 574 K CA 0.786 56.661 56.287 -0.686 0.000 0.986 574 K CB -0.152 31.980 32.500 -0.613 0.000 0.782 574 K HN 0.411 nan 8.250 nan 0.000 0.485 575 R N -0.176 120.150 120.500 -0.289 0.000 3.937 575 R HA -0.338 4.002 4.340 -0.000 0.000 0.216 575 R C 0.750 176.951 176.300 -0.166 0.000 0.440 575 R CA 2.863 58.846 56.100 -0.194 0.000 0.927 575 R CB -1.460 28.723 30.300 -0.195 0.000 0.935 575 R HN 0.395 nan 8.270 nan 0.000 0.584 576 Q N -0.596 119.108 119.800 -0.160 0.000 2.100 576 Q HA -0.317 4.022 4.340 -0.000 0.000 0.163 576 Q C 0.956 176.901 176.000 -0.092 0.000 0.618 576 Q CA 2.578 58.311 55.803 -0.118 0.000 1.485 576 Q CB -1.805 26.868 28.738 -0.109 0.000 1.627 576 Q HN 0.647 nan 8.270 nan 0.000 0.824 577 L N -0.115 121.045 121.223 -0.105 0.000 2.162 577 L HA 0.014 4.353 4.340 -0.000 0.000 0.205 577 L C 2.356 179.198 176.870 -0.046 0.000 1.086 577 L CA 1.040 55.820 54.840 -0.100 0.000 0.778 577 L CB -0.071 41.918 42.059 -0.116 0.000 0.928 577 L HN 0.312 nan 8.230 nan 0.000 0.446 578 L N 0.081 121.270 121.223 -0.058 0.000 2.083 578 L HA -0.242 4.098 4.340 -0.000 0.000 0.209 578 L C 1.934 178.891 176.870 0.144 0.000 1.083 578 L CA 1.979 56.819 54.840 -0.000 0.000 0.752 578 L CB -0.910 41.029 42.059 -0.199 0.000 0.899 578 L HN 0.336 nan 8.230 nan 0.000 0.433 579 N N -1.888 116.849 118.700 0.063 0.000 2.188 579 N HA -0.237 4.503 4.740 -0.000 0.000 0.184 579 N C 2.053 177.683 175.510 0.200 0.000 1.018 579 N CA 1.167 54.356 53.050 0.232 0.000 0.858 579 N CB -0.170 38.361 38.487 0.072 0.000 0.989 579 N HN 0.541 nan 8.380 nan 0.000 0.426 580 C N 0.514 119.856 119.300 0.070 0.000 2.435 580 C HA 0.086 4.546 4.460 -0.000 0.000 0.279 580 C C 2.514 177.534 174.990 0.050 0.000 1.321 580 C CA 0.148 59.161 59.018 -0.009 0.000 1.752 580 C CB -1.278 26.388 27.740 -0.123 0.000 1.959 580 C HN 0.473 nan 8.230 nan 0.000 0.500 581 L N -0.306 121.013 121.223 0.160 0.000 2.017 581 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 581 L C 2.836 179.936 176.870 0.383 0.000 1.073 581 L CA 2.091 57.100 54.840 0.282 0.000 0.745 581 L CB -1.133 41.186 42.059 0.434 0.000 0.894 581 L HN 0.544 nan 8.230 nan 0.000 0.432 582 H N -0.177 119.068 119.070 0.291 0.000 2.387 582 H HA -0.121 4.435 4.556 -0.000 0.000 0.299 582 H C 2.167 177.549 175.328 0.091 0.000 1.090 582 H CA 1.742 57.866 56.048 0.126 0.000 1.332 582 H CB 0.356 30.066 29.762 -0.087 0.000 1.386 582 H HN 0.114 nan 8.280 nan 0.000 0.516 583 V N 1.496 121.447 119.914 0.061 0.000 2.295 583 V HA -0.262 3.857 4.120 -0.000 0.000 0.246 583 V C 2.864 178.977 176.094 0.031 0.000 1.049 583 V CA 1.801 64.098 62.300 -0.005 0.000 1.024 583 V CB -0.512 31.304 31.823 -0.013 0.000 0.648 583 V HN 0.366 nan 8.190 nan 0.000 0.447 584 I N -0.013 120.593 120.570 0.060 0.000 2.226 584 I HA -0.247 3.922 4.170 -0.000 0.000 0.245 584 I C 2.558 178.832 176.117 0.261 0.000 1.100 584 I CA 1.846 63.268 61.300 0.203 0.000 1.374 584 I CB -0.828 37.287 38.000 0.193 0.000 1.057 584 I HN 0.328 nan 8.210 nan 0.000 0.413 585 T N 0.978 115.631 114.554 0.164 0.000 2.684 585 T HA -0.225 4.124 4.350 -0.000 0.000 0.267 585 T C 1.927 176.654 174.700 0.045 0.000 1.036 585 T CA 1.602 63.776 62.100 0.124 0.000 1.148 585 T CB -0.239 68.712 68.868 0.138 0.000 0.863 585 T HN 0.278 nan 8.240 nan 0.000 0.436 586 M N -0.367 119.211 119.600 -0.038 0.000 2.213 586 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 586 M C 2.189 178.519 176.300 0.049 0.000 1.062 586 M CA 1.492 56.847 55.300 0.092 0.000 1.105 586 M CB -0.381 32.325 32.600 0.177 0.000 1.385 586 M HN 0.309 nan 8.290 nan 0.000 0.417 587 Y N 1.587 121.869 120.300 -0.030 0.000 2.133 587 Y HA -0.198 4.352 4.550 -0.001 0.000 0.287 587 Y C 2.082 177.976 175.900 -0.010 0.000 1.134 587 Y CA 1.651 59.733 58.100 -0.030 0.000 1.133 587 Y CB -0.548 37.968 38.460 0.094 0.000 0.987 587 Y HN 0.216 nan 8.280 nan 0.000 0.502 588 N N 0.616 119.253 118.700 -0.105 0.000 2.104 588 N HA -0.169 4.570 4.740 -0.000 0.000 0.190 588 N C 1.926 177.325 175.510 -0.185 0.000 1.024 588 N CA 1.640 54.572 53.050 -0.197 0.000 0.853 588 N CB -0.400 38.079 38.487 -0.013 0.000 1.008 588 N HN 0.433 nan 8.380 nan 0.000 0.424 589 R N 0.378 120.821 120.500 -0.095 0.000 2.096 589 R HA 0.018 4.358 4.340 -0.000 0.000 0.235 589 R C 2.185 178.409 176.300 -0.127 0.000 1.127 589 R CA 0.859 56.923 56.100 -0.060 0.000 0.968 589 R CB -0.255 30.069 30.300 0.040 0.000 0.861 589 R HN 0.288 nan 8.270 nan 0.000 0.440 590 I N 0.774 121.197 120.570 -0.245 0.000 2.353 590 I HA -0.215 3.954 4.170 -0.000 0.000 0.248 590 I C 1.844 177.805 176.117 -0.259 0.000 1.119 590 I CA 0.991 62.111 61.300 -0.300 0.000 1.417 590 I CB -0.162 37.580 38.000 -0.431 0.000 1.078 590 I HN -0.014 nan 8.210 nan 0.000 0.421 591 K N 0.990 121.181 120.400 -0.348 0.000 2.283 591 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 591 K C 1.877 178.363 176.600 -0.191 0.000 1.048 591 K CA 0.702 56.801 56.287 -0.313 0.000 0.948 591 K CB -0.301 31.922 32.500 -0.462 0.000 0.742 591 K HN 0.268 nan 8.250 nan 0.000 0.458 592 K N 0.663 120.969 120.400 -0.157 0.000 2.044 592 K HA -0.116 4.204 4.320 -0.000 0.000 0.210 592 K C 0.311 176.862 176.600 -0.081 0.000 1.049 592 K CA 1.094 57.320 56.287 -0.101 0.000 0.927 592 K CB 0.065 32.522 32.500 -0.071 0.000 0.713 592 K HN 0.224 nan 8.250 nan 0.000 0.443 593 D N -1.642 118.709 120.400 -0.081 0.000 2.555 593 D HA 0.042 4.681 4.640 -0.000 0.000 0.209 593 D C -2.659 173.606 176.300 -0.058 0.000 1.043 593 D CA -0.658 53.306 54.000 -0.061 0.000 0.836 593 D CB 1.498 42.273 40.800 -0.041 0.000 3.236 593 D HN -0.159 nan 8.370 nan 0.000 0.467 594 P HA 0.101 nan 4.420 nan 0.000 0.317 594 P C 0.439 177.725 177.300 -0.023 0.000 1.316 594 P CA 0.223 63.294 63.100 -0.048 0.000 0.744 594 P CB 0.685 32.360 31.700 -0.041 0.000 1.521 595 K N -3.350 117.043 120.400 -0.011 0.000 3.870 595 K HA -0.200 4.120 4.320 -0.000 0.000 0.370 595 K C 0.568 177.178 176.600 0.017 0.000 0.607 595 K CA 2.160 58.449 56.287 0.003 0.000 1.617 595 K CB -2.589 29.910 32.500 -0.001 0.000 1.221 595 K HN 0.810 nan 8.250 nan 0.000 0.485 596 K N 2.875 123.286 120.400 0.017 0.000 2.451 596 K HA 0.303 4.622 4.320 -0.000 0.000 0.280 596 K C 0.071 176.714 176.600 0.072 0.000 1.020 596 K CA -0.252 56.057 56.287 0.036 0.000 1.008 596 K CB 0.248 32.767 32.500 0.032 0.000 0.917 596 K HN -0.017 nan 8.250 nan 0.000 0.478 597 L N 3.874 125.138 121.223 0.069 0.000 2.559 597 L HA 0.124 4.464 4.340 -0.000 0.000 0.274 597 L C -0.408 176.552 176.870 0.150 0.000 1.205 597 L CA 1.062 55.954 54.840 0.086 0.000 0.907 597 L CB -0.651 41.435 42.059 0.046 0.000 1.153 597 L HN 0.728 nan 8.230 nan 0.000 0.490 598 F N 4.017 123.957 119.950 -0.017 0.000 2.730 598 F HA 0.388 4.915 4.527 -0.000 0.000 0.335 598 F C -0.465 175.318 175.800 -0.028 0.000 1.212 598 F CA -0.984 57.000 58.000 -0.027 0.000 1.016 598 F CB 1.268 40.250 39.000 -0.030 0.000 1.290 598 F HN 0.131 nan 8.300 nan 0.000 0.495 599 V N 9.213 128.948 119.914 -0.298 0.000 2.485 599 V HA 0.260 4.380 4.120 -0.000 0.000 0.287 599 V C -1.768 174.189 176.094 -0.228 0.000 1.022 599 V CA -1.347 60.832 62.300 -0.202 0.000 1.067 599 V CB 0.375 32.066 31.823 -0.219 0.000 0.967 599 V HN 0.604 nan 8.190 nan 0.000 0.479 600 P HA 0.169 nan 4.420 nan 0.000 0.265 600 P C -0.807 176.471 177.300 -0.038 0.000 1.193 600 P CA 0.199 63.367 63.100 0.113 0.000 0.765 600 P CB 0.498 32.263 31.700 0.107 0.000 0.823 601 R N 1.281 121.808 120.500 0.045 0.000 2.795 601 R HA 0.535 4.875 4.340 -0.000 0.000 0.275 601 R C -0.514 175.805 176.300 0.031 0.000 0.981 601 R CA -0.681 55.396 56.100 -0.038 0.000 0.917 601 R CB 2.076 32.322 30.300 -0.090 0.000 1.202 601 R HN 0.329 nan 8.270 nan 0.000 0.469 602 T N 1.722 116.284 114.554 0.013 0.000 2.893 602 T HA 0.198 4.547 4.350 -0.000 0.000 0.324 602 T C -0.297 174.331 174.700 -0.119 0.000 1.082 602 T CA -0.494 61.564 62.100 -0.070 0.000 0.983 602 T CB 0.972 69.702 68.868 -0.230 0.000 1.005 602 T HN 0.146 nan 8.240 nan 0.000 0.475 603 V N 5.786 125.645 119.914 -0.092 0.000 2.356 603 V HA 0.306 4.426 4.120 -0.000 0.000 0.258 603 V C 0.234 176.251 176.094 -0.130 0.000 1.065 603 V CA -0.399 61.846 62.300 -0.093 0.000 0.935 603 V CB -0.371 31.424 31.823 -0.047 0.000 1.061 603 V HN 0.784 nan 8.190 nan 0.000 0.484 604 I N 6.453 126.928 120.570 -0.159 0.000 2.312 604 I HA 0.463 4.633 4.170 -0.000 0.000 0.290 604 I C -0.230 175.764 176.117 -0.204 0.000 1.008 604 I CA -0.093 61.096 61.300 -0.185 0.000 1.226 604 I CB 1.227 39.123 38.000 -0.173 0.000 1.371 604 I HN 0.405 nan 8.210 nan 0.000 0.468 605 I N 5.554 125.982 120.570 -0.236 0.000 2.436 605 I HA 0.631 4.801 4.170 -0.000 0.000 0.289 605 I C 0.269 176.008 176.117 -0.630 0.000 1.010 605 I CA -0.363 60.764 61.300 -0.290 0.000 1.098 605 I CB 1.975 39.908 38.000 -0.112 0.000 1.266 605 I HN 0.634 nan 8.210 nan 0.000 0.434 606 G N 3.190 111.614 108.800 -0.627 0.000 2.612 606 G HA2 0.850 4.810 3.960 -0.000 0.000 0.298 606 G HA3 0.850 4.810 3.960 -0.000 0.000 0.298 606 G C -0.887 173.724 174.900 -0.481 0.000 1.336 606 G CA -0.789 43.835 45.100 -0.792 0.000 0.953 606 G HN 0.955 nan 8.290 nan 0.000 0.482 607 G N -0.294 108.362 108.800 -0.241 0.000 2.339 607 G HA2 0.451 4.410 3.960 -0.000 0.000 0.302 607 G HA3 0.451 4.410 3.960 -0.000 0.000 0.302 607 G C -1.644 173.398 174.900 0.237 0.000 1.425 607 G CA -0.993 44.150 45.100 0.073 0.000 0.899 607 G HN 0.608 nan 8.290 nan 0.000 0.619 608 K N -0.144 120.402 120.400 0.243 0.000 2.270 608 K HA 0.747 5.067 4.320 -0.000 0.000 0.255 608 K C -0.030 176.734 176.600 0.272 0.000 0.936 608 K CA -0.515 55.953 56.287 0.303 0.000 0.809 608 K CB 2.482 35.135 32.500 0.255 0.000 1.131 608 K HN 0.860 nan 8.250 nan 0.000 0.427 609 A N 1.495 124.482 122.820 0.278 0.000 2.303 609 A HA 0.671 4.991 4.320 -0.000 0.000 0.317 609 A C -0.338 177.401 177.584 0.258 0.000 1.149 609 A CA -0.620 51.519 52.037 0.170 0.000 0.822 609 A CB 0.901 19.923 19.000 0.037 0.000 1.131 609 A HN 0.787 nan 8.150 nan 0.000 0.493 610 A N 2.834 125.810 122.820 0.260 0.000 2.440 610 A HA 0.526 4.846 4.320 -0.000 0.000 0.251 610 A C -1.456 176.231 177.584 0.172 0.000 1.089 610 A CA -1.098 51.097 52.037 0.264 0.000 0.779 610 A CB -0.317 18.846 19.000 0.272 0.000 1.022 610 A HN 0.591 nan 8.150 nan 0.000 0.492 611 P HA -0.166 nan 4.420 nan 0.000 0.216 611 P C 1.170 178.504 177.300 0.057 0.000 1.154 611 P CA 2.104 65.200 63.100 -0.007 0.000 0.865 611 P CB 0.208 31.883 31.700 -0.042 0.000 0.789 612 G N -2.979 105.881 108.800 0.100 0.000 3.591 612 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.282 612 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.282 612 G C -0.685 174.315 174.900 0.167 0.000 1.238 612 G CA 0.079 45.243 45.100 0.108 0.000 0.993 612 G HN 0.133 nan 8.290 nan 0.000 0.542 613 Y N 1.421 121.746 120.300 0.041 0.000 2.721 613 Y HA 0.290 4.839 4.550 -0.001 0.000 0.328 613 Y C 1.150 177.089 175.900 0.065 0.000 1.003 613 Y CA -2.164 55.957 58.100 0.034 0.000 1.275 613 Y CB 0.042 38.484 38.460 -0.029 0.000 1.097 613 Y HN 0.387 nan 8.280 nan 0.000 0.514 614 H N 3.826 123.082 119.070 0.311 0.000 2.321 614 H HA -0.162 4.394 4.556 -0.000 0.000 0.300 614 H C 1.551 176.971 175.328 0.153 0.000 1.087 614 H CA 2.304 58.464 56.048 0.187 0.000 1.319 614 H CB 0.409 30.256 29.762 0.142 0.000 1.379 614 H HN 0.658 nan 8.280 nan 0.000 0.501 615 M N 0.918 120.683 119.600 0.275 0.000 2.086 615 M HA -0.082 4.397 4.480 -0.000 0.000 0.261 615 M C 2.643 178.791 176.300 -0.253 0.000 1.067 615 M CA 1.891 57.241 55.300 0.084 0.000 1.116 615 M CB -0.724 32.047 32.600 0.284 0.000 1.348 615 M HN 0.339 nan 8.290 nan 0.000 0.407 616 A N -0.360 122.022 122.820 -0.729 0.000 1.908 616 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 616 A C 2.162 179.540 177.584 -0.342 0.000 1.181 616 A CA 2.022 53.599 52.037 -0.767 0.000 0.627 616 A CB -0.695 17.516 19.000 -1.316 0.000 0.818 616 A HN 0.590 nan 8.150 nan 0.000 0.445 617 K N -1.093 119.176 120.400 -0.218 0.000 2.148 617 K HA -0.028 4.292 4.320 -0.000 0.000 0.204 617 K C 1.929 178.502 176.600 -0.046 0.000 1.050 617 K CA 1.185 57.443 56.287 -0.050 0.000 0.942 617 K CB -0.208 32.336 32.500 0.074 0.000 0.724 617 K HN 0.364 nan 8.250 nan 0.000 0.446 618 M N 0.575 120.110 119.600 -0.108 0.000 2.175 618 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 618 M C 2.146 178.343 176.300 -0.171 0.000 1.063 618 M CA 1.442 56.678 55.300 -0.106 0.000 1.119 618 M CB -0.644 31.917 32.600 -0.065 0.000 1.377 618 M HN 0.121 nan 8.290 nan 0.000 0.415 619 I N -0.203 120.254 120.570 -0.189 0.000 2.361 619 I HA -0.284 3.886 4.170 -0.000 0.000 0.251 619 I C 2.295 178.260 176.117 -0.253 0.000 1.133 619 I CA 1.019 62.190 61.300 -0.215 0.000 1.413 619 I CB -0.326 37.560 38.000 -0.190 0.000 1.073 619 I HN 0.187 nan 8.210 nan 0.000 0.424 620 I N 0.675 121.081 120.570 -0.274 0.000 2.202 620 I HA -0.263 3.906 4.170 -0.000 0.000 0.242 620 I C 2.591 178.402 176.117 -0.510 0.000 1.091 620 I CA 1.155 62.203 61.300 -0.420 0.000 1.368 620 I CB -0.262 37.490 38.000 -0.414 0.000 1.058 620 I HN 0.120 nan 8.210 nan 0.000 0.410 621 K N 1.370 121.459 120.400 -0.518 0.000 2.148 621 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 621 K C 2.030 178.411 176.600 -0.365 0.000 1.050 621 K CA 1.280 57.166 56.287 -0.669 0.000 0.942 621 K CB -0.461 31.215 32.500 -1.374 0.000 0.724 621 K HN 0.176 nan 8.250 nan 0.000 0.446 622 L N 0.627 121.646 121.223 -0.339 0.000 2.017 622 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 622 L C 2.013 178.579 176.870 -0.507 0.000 1.073 622 L CA 1.820 56.288 54.840 -0.619 0.000 0.745 622 L CB -0.542 41.087 42.059 -0.717 0.000 0.894 622 L HN 0.268 nan 8.230 nan 0.000 0.432 623 I N 0.182 120.524 120.570 -0.380 0.000 2.226 623 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 623 I C 2.622 178.581 176.117 -0.263 0.000 1.100 623 I CA 1.688 62.816 61.300 -0.287 0.000 1.374 623 I CB -0.625 37.292 38.000 -0.138 0.000 1.057 623 I HN 0.388 nan 8.210 nan 0.000 0.413 624 T N -1.966 112.413 114.554 -0.292 0.000 2.746 624 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 624 T C 1.997 176.587 174.700 -0.184 0.000 1.039 624 T CA 1.639 63.601 62.100 -0.231 0.000 1.142 624 T CB -0.580 68.117 68.868 -0.285 0.000 0.866 624 T HN 0.207 nan 8.240 nan 0.000 0.444 625 S N 1.200 116.789 115.700 -0.184 0.000 2.368 625 S HA -0.050 4.419 4.470 -0.000 0.000 0.225 625 S C 2.280 176.805 174.600 -0.126 0.000 1.030 625 S CA 1.157 59.309 58.200 -0.080 0.000 0.999 625 S CB -0.676 62.587 63.200 0.106 0.000 0.844 625 S HN 0.411 nan 8.310 nan 0.000 0.459 626 V N 2.247 121.939 119.914 -0.369 0.000 2.287 626 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 626 V C 2.695 178.610 176.094 -0.299 0.000 1.053 626 V CA 1.738 63.673 62.300 -0.608 0.000 1.027 626 V CB -1.355 30.014 31.823 -0.758 0.000 0.646 626 V HN 0.543 nan 8.190 nan 0.000 0.447 627 A N 0.217 122.901 122.820 -0.226 0.000 1.873 627 A HA -0.297 4.022 4.320 -0.000 0.000 0.218 627 A C 2.001 179.515 177.584 -0.117 0.000 1.193 627 A CA 2.212 54.159 52.037 -0.151 0.000 0.629 627 A CB -0.785 18.149 19.000 -0.110 0.000 0.826 627 A HN 0.568 nan 8.150 nan 0.000 0.447 628 D N -0.341 120.001 120.400 -0.096 0.000 2.149 628 D HA -0.110 4.530 4.640 -0.000 0.000 0.198 628 D C 2.070 178.321 176.300 -0.082 0.000 0.990 628 D CA 1.507 55.465 54.000 -0.070 0.000 0.839 628 D CB -0.454 40.313 40.800 -0.055 0.000 0.948 628 D HN 0.275 nan 8.370 nan 0.000 0.460 629 V N 1.223 121.079 119.914 -0.098 0.000 2.255 629 V HA -0.173 3.947 4.120 -0.000 0.000 0.243 629 V C 2.714 178.678 176.094 -0.217 0.000 1.038 629 V CA 1.630 63.838 62.300 -0.153 0.000 1.008 629 V CB -0.669 31.070 31.823 -0.140 0.000 0.645 629 V HN 0.182 nan 8.190 nan 0.000 0.449 630 V N -0.666 119.064 119.914 -0.307 0.000 3.078 630 V HA -0.098 4.022 4.120 -0.000 0.000 0.265 630 V C 1.824 177.856 176.094 -0.103 0.000 1.122 630 V CA 2.121 64.236 62.300 -0.309 0.000 1.141 630 V CB -0.856 30.770 31.823 -0.328 0.000 0.735 630 V HN 0.541 nan 8.190 nan 0.000 0.498 631 N N 1.379 120.026 118.700 -0.088 0.000 2.409 631 N HA 0.048 4.787 4.740 -0.000 0.000 0.174 631 N C 1.451 176.945 175.510 -0.027 0.000 1.037 631 N CA 1.496 54.518 53.050 -0.047 0.000 0.898 631 N CB -0.268 38.191 38.487 -0.048 0.000 1.010 631 N HN 0.727 nan 8.380 nan 0.000 0.445 632 N N 0.140 118.820 118.700 -0.033 0.000 2.356 632 N HA -0.029 4.711 4.740 -0.000 0.000 0.178 632 N C -0.321 175.190 175.510 0.001 0.000 1.075 632 N CA -0.148 52.891 53.050 -0.017 0.000 0.889 632 N CB 0.401 38.872 38.487 -0.027 0.000 0.999 632 N HN 0.112 nan 8.380 nan 0.000 0.464 633 D N 1.504 121.913 120.400 0.015 0.000 2.412 633 D HA 0.020 4.660 4.640 -0.000 0.000 0.257 633 D C -1.588 174.748 176.300 0.060 0.000 1.217 633 D CA -1.555 52.489 54.000 0.072 0.000 0.897 633 D CB 1.059 41.974 40.800 0.192 0.000 1.132 633 D HN 0.028 nan 8.370 nan 0.000 0.493 634 P HA -0.187 nan 4.420 nan 0.000 0.218 634 P C 1.429 178.743 177.300 0.024 0.000 1.148 634 P CA 0.965 64.081 63.100 0.027 0.000 0.822 634 P CB 0.139 31.851 31.700 0.021 0.000 0.784 635 M N -1.175 118.444 119.600 0.032 0.000 2.099 635 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 635 M C 2.061 178.357 176.300 -0.005 0.000 1.067 635 M CA 1.575 56.879 55.300 0.008 0.000 1.124 635 M CB -1.496 31.102 32.600 -0.003 0.000 1.353 635 M HN -0.154 nan 8.290 nan 0.000 0.410 636 V N -0.006 119.925 119.914 0.028 0.000 2.255 636 V HA -0.114 4.006 4.120 -0.000 0.000 0.247 636 V C 1.854 177.939 176.094 -0.016 0.000 1.051 636 V CA 1.654 63.955 62.300 0.001 0.000 1.018 636 V CB -1.724 30.152 31.823 0.089 0.000 0.641 636 V HN 0.711 nan 8.190 nan 0.000 0.445 637 G N 0.447 109.251 108.800 0.008 0.000 2.578 637 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.275 637 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.275 637 G C 0.595 175.502 174.900 0.012 0.000 1.271 637 G CA 0.621 45.726 45.100 0.008 0.000 0.941 637 G HN 1.367 nan 8.290 nan 0.000 0.564 638 S N -0.194 115.519 115.700 0.022 0.000 3.110 638 S HA 0.209 4.679 4.470 -0.000 0.000 0.253 638 S C 1.293 175.925 174.600 0.054 0.000 1.074 638 S CA 1.434 59.657 58.200 0.038 0.000 1.201 638 S CB 0.237 63.462 63.200 0.042 0.000 0.889 638 S HN 0.810 nan 8.310 nan 0.000 0.490 639 K N -0.347 120.077 120.400 0.039 0.000 2.329 639 K HA 0.388 4.707 4.320 -0.000 0.000 0.198 639 K C -0.346 176.332 176.600 0.130 0.000 1.085 639 K CA 0.123 56.451 56.287 0.068 0.000 0.961 639 K CB 0.273 32.725 32.500 -0.081 0.000 0.971 639 K HN 0.450 nan 8.250 nan 0.000 0.502 640 L N 1.490 122.742 121.223 0.048 0.000 2.562 640 L HA 0.395 4.735 4.340 -0.000 0.000 0.266 640 L C -2.100 174.785 176.870 0.025 0.000 0.949 640 L CA -0.418 54.468 54.840 0.076 0.000 0.879 640 L CB 1.843 43.932 42.059 0.049 0.000 1.278 640 L HN -0.204 nan 8.230 nan 0.000 0.404 641 K N 4.562 124.969 120.400 0.012 0.000 2.463 641 K HA 0.646 4.966 4.320 -0.000 0.000 0.255 641 K C -1.377 175.187 176.600 -0.061 0.000 0.942 641 K CA -0.617 55.653 56.287 -0.028 0.000 0.814 641 K CB 2.583 35.066 32.500 -0.028 0.000 1.122 641 K HN 0.380 nan 8.250 nan 0.000 0.425 642 V N 4.837 124.704 119.914 -0.078 0.000 2.370 642 V HA 0.444 4.564 4.120 -0.000 0.000 0.279 642 V C 0.014 176.037 176.094 -0.119 0.000 1.029 642 V CA -0.790 61.452 62.300 -0.097 0.000 0.870 642 V CB 1.244 33.006 31.823 -0.102 0.000 0.984 642 V HN 0.513 nan 8.190 nan 0.000 0.451 643 I N 5.032 125.510 120.570 -0.153 0.000 2.498 643 I HA 0.410 4.580 4.170 -0.000 0.000 0.290 643 I C -0.765 175.249 176.117 -0.171 0.000 1.032 643 I CA -0.568 60.594 61.300 -0.231 0.000 1.073 643 I CB 1.789 39.565 38.000 -0.374 0.000 1.251 643 I HN 0.599 nan 8.210 nan 0.000 0.426 644 F N 6.810 126.610 119.950 -0.250 0.000 2.332 644 F HA 0.457 4.984 4.527 -0.000 0.000 0.368 644 F C -0.210 175.531 175.800 -0.099 0.000 1.110 644 F CA -0.580 57.334 58.000 -0.143 0.000 1.087 644 F CB 0.781 39.730 39.000 -0.084 0.000 1.235 644 F HN 0.280 nan 8.300 nan 0.000 0.470 645 L N 5.838 126.814 121.223 -0.412 0.000 2.500 645 L HA 0.070 4.410 4.340 -0.000 0.000 0.272 645 L C 0.579 177.497 176.870 0.081 0.000 1.149 645 L CA 0.243 55.046 54.840 -0.062 0.000 0.897 645 L CB 0.363 42.415 42.059 -0.012 0.000 1.178 645 L HN 0.648 nan 8.230 nan 0.000 0.473 646 E N 4.824 125.285 120.200 0.434 0.000 2.338 646 E HA -0.062 4.288 4.350 -0.000 0.000 0.272 646 E C 0.229 177.025 176.600 0.326 0.000 1.029 646 E CA -0.518 56.136 56.400 0.423 0.000 0.872 646 E CB 0.493 30.421 29.700 0.378 0.000 1.015 646 E HN 0.560 nan 8.360 nan 0.000 0.417 647 N N 3.024 121.908 118.700 0.307 0.000 2.642 647 N HA -0.285 4.455 4.740 -0.000 0.000 0.269 647 N C -1.758 173.879 175.510 0.212 0.000 1.073 647 N CA 0.548 53.739 53.050 0.237 0.000 0.748 647 N CB -1.255 37.350 38.487 0.197 0.000 0.894 647 N HN 0.479 nan 8.380 nan 0.000 0.548 648 Y N 2.717 123.070 120.300 0.087 0.000 2.465 648 Y HA 0.382 4.932 4.550 -0.001 0.000 0.331 648 Y C 0.955 176.885 175.900 0.051 0.000 1.102 648 Y CA 0.036 58.164 58.100 0.047 0.000 1.358 648 Y CB 0.403 38.859 38.460 -0.007 0.000 1.213 648 Y HN 0.450 nan 8.280 nan 0.000 0.525 649 R N 2.760 122.876 120.500 -0.640 0.000 2.747 649 R HA 0.417 4.757 4.340 -0.000 0.000 0.272 649 R C -0.366 175.541 176.300 -0.655 0.000 1.032 649 R CA -0.535 55.219 56.100 -0.576 0.000 0.896 649 R CB 0.364 30.513 30.300 -0.252 0.000 1.253 649 R HN 0.402 nan 8.270 nan 0.000 0.461 650 V N 1.148 120.659 119.914 -0.671 0.000 2.250 650 V HA -0.354 3.766 4.120 -0.000 0.000 0.253 650 V C 2.604 178.524 176.094 -0.290 0.000 1.065 650 V CA 3.078 65.105 62.300 -0.456 0.000 1.039 650 V CB -1.018 30.480 31.823 -0.543 0.000 0.647 650 V HN 0.933 nan 8.190 nan 0.000 0.446 651 S N -0.475 115.063 115.700 -0.270 0.000 2.382 651 S HA -0.153 4.316 4.470 -0.000 0.000 0.228 651 S C 2.022 176.537 174.600 -0.142 0.000 1.027 651 S CA 1.682 59.766 58.200 -0.193 0.000 0.991 651 S CB -0.589 62.525 63.200 -0.144 0.000 0.823 651 S HN 0.504 nan 8.310 nan 0.000 0.469 652 L N 1.024 122.171 121.223 -0.127 0.000 2.093 652 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 652 L C 3.077 179.954 176.870 0.012 0.000 1.085 652 L CA 1.189 56.006 54.840 -0.038 0.000 0.755 652 L CB -0.847 41.258 42.059 0.078 0.000 0.904 652 L HN 0.501 nan 8.230 nan 0.000 0.435 653 A N -0.246 122.563 122.820 -0.020 0.000 1.908 653 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 653 A C 2.012 179.659 177.584 0.104 0.000 1.181 653 A CA 1.812 53.932 52.037 0.139 0.000 0.627 653 A CB -0.497 18.552 19.000 0.081 0.000 0.818 653 A HN 0.498 nan 8.150 nan 0.000 0.445 654 E N -0.572 119.663 120.200 0.059 0.000 2.268 654 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 654 E C 1.934 178.493 176.600 -0.067 0.000 0.995 654 E CA 1.046 57.442 56.400 -0.008 0.000 0.836 654 E CB -0.036 29.559 29.700 -0.175 0.000 0.763 654 E HN 0.611 nan 8.360 nan 0.000 0.491 655 K N 0.096 120.431 120.400 -0.108 0.000 2.078 655 K HA -0.017 4.302 4.320 -0.000 0.000 0.203 655 K C 2.200 178.547 176.600 -0.420 0.000 1.043 655 K CA 0.592 56.787 56.287 -0.154 0.000 0.960 655 K CB -0.144 32.269 32.500 -0.144 0.000 0.761 655 K HN -0.032 nan 8.250 nan 0.000 0.448 656 V N 2.060 121.600 119.914 -0.623 0.000 2.323 656 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 656 V C 2.024 177.882 176.094 -0.392 0.000 1.041 656 V CA 1.331 63.019 62.300 -1.019 0.000 1.025 656 V CB -0.229 31.189 31.823 -0.675 0.000 0.656 656 V HN 0.284 nan 8.190 nan 0.000 0.451 657 I N 0.654 121.116 120.570 -0.180 0.000 2.143 657 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 657 I C -0.399 175.713 176.117 -0.008 0.000 1.068 657 I CA 2.236 63.472 61.300 -0.108 0.000 1.326 657 I CB -1.478 36.332 38.000 -0.317 0.000 1.028 657 I HN 0.397 nan 8.210 nan 0.000 0.412 658 P HA -0.026 nan 4.420 nan 0.000 0.242 658 P C 0.497 177.814 177.300 0.029 0.000 1.197 658 P CA 0.853 63.959 63.100 0.011 0.000 0.765 658 P CB 0.145 31.847 31.700 0.002 0.000 0.936 659 A N -1.310 121.518 122.820 0.013 0.000 2.431 659 A HA 0.186 4.505 4.320 -0.000 0.000 0.239 659 A C 0.985 178.709 177.584 0.233 0.000 1.230 659 A CA 0.186 52.288 52.037 0.108 0.000 0.928 659 A CB -0.732 18.357 19.000 0.149 0.000 1.006 659 A HN 0.220 nan 8.150 nan 0.000 0.520 660 T N -3.158 111.511 114.554 0.192 0.000 2.904 660 T HA 0.434 4.784 4.350 -0.000 0.000 0.290 660 T C 0.015 174.842 174.700 0.211 0.000 1.018 660 T CA -0.047 62.190 62.100 0.228 0.000 1.075 660 T CB 1.621 70.624 68.868 0.225 0.000 0.986 660 T HN 0.061 nan 8.240 nan 0.000 0.523 661 D N 0.065 120.594 120.400 0.215 0.000 2.504 661 D HA 0.180 4.819 4.640 -0.000 0.000 0.276 661 D C -0.078 176.428 176.300 0.343 0.000 1.073 661 D CA 0.047 54.251 54.000 0.340 0.000 0.905 661 D CB 0.524 41.520 40.800 0.327 0.000 1.350 661 D HN 0.364 nan 8.370 nan 0.000 0.496 662 L N 1.933 123.230 121.223 0.123 0.000 2.345 662 L HA 0.328 4.667 4.340 -0.000 0.000 0.274 662 L C -0.735 176.002 176.870 -0.221 0.000 0.999 662 L CA -0.104 54.733 54.840 -0.006 0.000 0.849 662 L CB 1.606 43.642 42.059 -0.039 0.000 1.220 662 L HN -0.186 nan 8.230 nan 0.000 0.422 663 S N 4.663 120.164 115.700 -0.332 0.000 2.416 663 S HA 0.238 4.708 4.470 -0.000 0.000 0.287 663 S C 0.016 174.380 174.600 -0.394 0.000 1.139 663 S CA -0.527 57.275 58.200 -0.662 0.000 1.058 663 S CB 0.325 63.034 63.200 -0.819 0.000 0.967 663 S HN 0.580 nan 8.310 nan 0.000 0.495 664 E N 4.338 124.318 120.200 -0.368 0.000 2.003 664 E HA 0.113 4.463 4.350 -0.000 0.000 0.279 664 E C -0.297 176.213 176.600 -0.150 0.000 1.132 664 E CA -0.181 56.105 56.400 -0.190 0.000 0.888 664 E CB 0.630 30.238 29.700 -0.153 0.000 1.056 664 E HN 0.634 nan 8.360 nan 0.000 0.399 665 Q N 2.412 122.169 119.800 -0.071 0.000 2.647 665 Q HA 0.202 4.542 4.340 -0.000 0.000 0.400 665 Q C 0.857 176.857 176.000 0.000 0.000 0.959 665 Q CA -0.144 55.630 55.803 -0.049 0.000 1.079 665 Q CB -0.088 28.626 28.738 -0.039 0.000 1.351 665 Q HN 0.596 nan 8.270 nan 0.000 0.411 666 I N -2.561 118.007 120.570 -0.004 0.000 3.832 666 I HA 0.289 4.459 4.170 -0.000 0.000 0.324 666 I C 0.334 176.390 176.117 -0.103 0.000 1.447 666 I CA -0.251 61.065 61.300 0.026 0.000 1.242 666 I CB 0.282 38.287 38.000 0.008 0.000 1.212 666 I HN -0.102 nan 8.210 nan 0.000 0.415 667 S N 1.467 117.096 115.700 -0.118 0.000 2.580 667 S HA 0.236 4.706 4.470 -0.000 0.000 0.274 667 S C 0.641 175.186 174.600 -0.091 0.000 1.329 667 S CA -0.190 57.932 58.200 -0.130 0.000 1.036 667 S CB 0.559 63.693 63.200 -0.110 0.000 0.919 667 S HN 0.550 nan 8.310 nan 0.000 0.515 668 T N 3.977 118.510 114.554 -0.036 0.000 2.946 668 T HA 0.284 4.634 4.350 -0.000 0.000 0.311 668 T C 0.417 175.123 174.700 0.010 0.000 1.063 668 T CA 0.142 62.249 62.100 0.011 0.000 1.139 668 T CB 0.242 69.218 68.868 0.180 0.000 0.994 668 T HN 0.848 nan 8.240 nan 0.000 0.547 669 A N 2.150 124.945 122.820 -0.041 0.000 2.520 669 A HA 0.507 4.827 4.320 -0.000 0.000 0.245 669 A C 1.547 179.136 177.584 0.008 0.000 1.072 669 A CA 0.159 52.174 52.037 -0.036 0.000 0.761 669 A CB -0.799 18.161 19.000 -0.066 0.000 1.004 669 A HN 1.743 nan 8.150 nan 0.000 0.499 670 G N 1.458 110.267 108.800 0.015 0.000 2.141 670 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.231 670 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.231 670 G C 0.525 175.450 174.900 0.041 0.000 0.984 670 G CA 1.040 46.155 45.100 0.025 0.000 0.660 670 G HN 2.093 nan 8.290 nan 0.000 0.525 671 T N -3.000 111.589 114.554 0.057 0.000 3.170 671 T HA 0.538 4.887 4.350 -0.000 0.000 0.288 671 T C -0.096 174.626 174.700 0.036 0.000 0.992 671 T CA 0.116 62.239 62.100 0.040 0.000 0.909 671 T CB 0.985 69.929 68.868 0.126 0.000 1.133 671 T HN 0.206 nan 8.240 nan 0.000 0.530 672 E N 0.603 120.828 120.200 0.042 0.000 2.241 672 E HA 0.656 5.005 4.350 -0.000 0.000 0.263 672 E C 0.372 176.975 176.600 0.004 0.000 0.882 672 E CA -0.478 55.944 56.400 0.037 0.000 0.769 672 E CB 1.942 31.668 29.700 0.043 0.000 1.185 672 E HN 0.196 nan 8.360 nan 0.000 0.415 673 A N 2.325 125.117 122.820 -0.047 0.000 1.878 673 A HA 0.057 4.376 4.320 -0.000 0.000 0.213 673 A C 1.291 178.839 177.584 -0.060 0.000 1.192 673 A CA 1.260 53.231 52.037 -0.111 0.000 0.619 673 A CB 0.328 19.042 19.000 -0.477 0.000 0.837 673 A HN 0.444 nan 8.150 nan 0.000 0.446 674 S N -3.035 112.633 115.700 -0.053 0.000 3.081 674 S HA 0.624 5.093 4.470 -0.000 0.000 0.316 674 S C -0.482 174.113 174.600 -0.009 0.000 1.089 674 S CA 0.098 58.294 58.200 -0.006 0.000 0.897 674 S CB 1.481 64.687 63.200 0.011 0.000 1.358 674 S HN 1.284 nan 8.310 nan 0.000 0.678 675 G N 0.841 109.631 108.800 -0.017 0.000 3.747 675 G HA2 0.327 4.287 3.960 -0.000 0.000 0.289 675 G HA3 0.327 4.287 3.960 -0.000 0.000 0.289 675 G C 0.133 174.986 174.900 -0.077 0.000 3.650 675 G CA 0.028 45.102 45.100 -0.042 0.000 0.560 675 G HN 0.544 nan 8.290 nan 0.000 0.267 676 T N 0.768 115.279 114.554 -0.071 0.000 2.746 676 T HA -0.057 4.293 4.350 -0.000 0.000 0.267 676 T C 2.558 177.124 174.700 -0.223 0.000 1.039 676 T CA 2.347 64.371 62.100 -0.126 0.000 1.142 676 T CB -0.080 68.722 68.868 -0.109 0.000 0.866 676 T HN 0.603 nan 8.240 nan 0.000 0.444 677 G N 1.716 110.410 108.800 -0.176 0.000 2.408 677 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 677 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 677 G C 1.566 176.408 174.900 -0.097 0.000 1.150 677 G CA 0.749 45.715 45.100 -0.224 0.000 0.776 677 G HN 0.423 nan 8.290 nan 0.000 0.542 678 N N 1.079 119.784 118.700 0.008 0.000 2.036 678 N HA -0.159 4.581 4.740 -0.000 0.000 0.195 678 N C 2.238 177.712 175.510 -0.060 0.000 1.037 678 N CA 1.703 54.782 53.050 0.047 0.000 0.855 678 N CB -0.493 37.949 38.487 -0.074 0.000 1.033 678 N HN 0.369 nan 8.380 nan 0.000 0.423 679 M N 0.540 120.005 119.600 -0.226 0.000 2.159 679 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 679 M C 1.772 177.960 176.300 -0.188 0.000 1.063 679 M CA 1.404 56.531 55.300 -0.289 0.000 1.110 679 M CB -0.330 32.093 32.600 -0.295 0.000 1.374 679 M HN 0.089 nan 8.290 nan 0.000 0.411 680 K N 0.241 120.459 120.400 -0.302 0.000 2.026 680 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 680 K C 1.734 178.176 176.600 -0.264 0.000 1.048 680 K CA 1.428 57.472 56.287 -0.406 0.000 0.929 680 K CB -0.294 31.721 32.500 -0.810 0.000 0.713 680 K HN 0.152 nan 8.250 nan 0.000 0.439 681 F N 1.125 120.992 119.950 -0.140 0.000 2.102 681 F HA -0.136 4.390 4.527 -0.001 0.000 0.298 681 F C 2.600 178.363 175.800 -0.061 0.000 1.105 681 F CA 1.217 59.166 58.000 -0.085 0.000 1.239 681 F CB -0.521 38.425 39.000 -0.088 0.000 0.991 681 F HN -0.009 nan 8.300 nan 0.000 0.474 682 M N -0.109 119.563 119.600 0.119 0.000 2.082 682 M HA -0.259 4.221 4.480 -0.000 0.000 0.258 682 M C 2.242 178.570 176.300 0.047 0.000 1.069 682 M CA 1.778 57.106 55.300 0.046 0.000 1.102 682 M CB -0.439 32.148 32.600 -0.022 0.000 1.336 682 M HN 0.306 nan 8.290 nan 0.000 0.404 683 L N 0.201 121.448 121.223 0.039 0.000 2.201 683 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 683 L C 1.474 178.373 176.870 0.048 0.000 1.105 683 L CA 1.240 56.111 54.840 0.053 0.000 0.775 683 L CB -0.500 41.596 42.059 0.062 0.000 0.913 683 L HN 0.466 nan 8.230 nan 0.000 0.440 684 N N 0.005 118.735 118.700 0.050 0.000 2.398 684 N HA 0.020 4.760 4.740 -0.000 0.000 0.188 684 N C 0.946 176.492 175.510 0.061 0.000 1.122 684 N CA 0.954 54.036 53.050 0.055 0.000 0.866 684 N CB 0.680 39.197 38.487 0.050 0.000 0.970 684 N HN 0.458 nan 8.380 nan 0.000 0.462 685 G N 0.245 109.083 108.800 0.062 0.000 2.173 685 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.174 685 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.174 685 G C -0.241 174.717 174.900 0.096 0.000 1.025 685 G CA -0.010 45.123 45.100 0.056 0.000 0.706 685 G HN 0.505 nan 8.290 nan 0.000 0.499 686 A N -0.025 122.856 122.820 0.101 0.000 2.350 686 A HA 0.883 5.203 4.320 -0.000 0.000 0.324 686 A C 0.163 177.750 177.584 0.006 0.000 1.118 686 A CA -0.688 51.416 52.037 0.111 0.000 0.783 686 A CB 1.181 20.271 19.000 0.150 0.000 1.236 686 A HN 0.732 nan 8.150 nan 0.000 0.457 687 L N 1.484 122.671 121.223 -0.060 0.000 2.350 687 L HA 0.381 4.720 4.340 -0.000 0.000 0.275 687 L C 0.100 176.935 176.870 -0.059 0.000 1.099 687 L CA -0.302 54.448 54.840 -0.150 0.000 0.808 687 L CB 1.481 43.270 42.059 -0.450 0.000 1.149 687 L HN 0.706 nan 8.230 nan 0.000 0.442 688 T N 4.175 118.726 114.554 -0.004 0.000 2.744 688 T HA 0.404 4.754 4.350 -0.000 0.000 0.291 688 T C -0.155 174.604 174.700 0.099 0.000 0.957 688 T CA -0.172 61.928 62.100 -0.000 0.000 1.002 688 T CB 1.187 70.051 68.868 -0.007 0.000 0.919 688 T HN 0.367 nan 8.240 nan 0.000 0.468 689 I N 3.281 123.876 120.570 0.043 0.000 2.328 689 I HA 0.683 4.852 4.170 -0.000 0.000 0.287 689 I C 0.040 176.282 176.117 0.210 0.000 1.012 689 I CA 0.053 61.428 61.300 0.124 0.000 1.195 689 I CB 0.162 38.111 38.000 -0.085 0.000 1.350 689 I HN 0.783 nan 8.210 nan 0.000 0.464 690 G N 3.872 112.892 108.800 0.367 0.000 2.579 690 G HA2 0.335 4.294 3.960 -0.000 0.000 0.292 690 G HA3 0.335 4.294 3.960 -0.000 0.000 0.292 690 G C -0.691 174.282 174.900 0.122 0.000 1.484 690 G CA -0.388 44.911 45.100 0.332 0.000 0.813 690 G HN 0.631 nan 8.290 nan 0.000 0.515 691 T N -1.495 112.950 114.554 -0.182 0.000 2.855 691 T HA 0.328 4.677 4.350 -0.000 0.000 0.322 691 T C 0.786 175.400 174.700 -0.144 0.000 1.088 691 T CA -0.008 61.873 62.100 -0.365 0.000 1.104 691 T CB 0.877 69.513 68.868 -0.386 0.000 0.996 691 T HN 0.598 nan 8.240 nan 0.000 0.549 692 M N 3.066 122.590 119.600 -0.126 0.000 3.213 692 M HA 0.402 4.882 4.480 -0.000 0.000 0.275 692 M C -0.798 175.475 176.300 -0.045 0.000 1.424 692 M CA -0.226 55.040 55.300 -0.057 0.000 1.561 692 M CB -1.665 30.910 32.600 -0.041 0.000 1.109 692 M HN 0.881 nan 8.290 nan 0.000 0.552 693 D N 1.184 121.562 120.400 -0.036 0.000 2.653 693 D HA 0.674 5.313 4.640 -0.000 0.000 0.258 693 D C 0.515 176.812 176.300 -0.005 0.000 1.252 693 D CA 0.772 54.761 54.000 -0.017 0.000 0.777 693 D CB 0.920 41.704 40.800 -0.026 0.000 1.339 693 D HN 0.528 nan 8.370 nan 0.000 0.422 694 G N 0.774 109.582 108.800 0.012 0.000 2.634 694 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.318 694 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.318 694 G C 1.213 176.125 174.900 0.019 0.000 1.207 694 G CA 1.681 46.790 45.100 0.015 0.000 0.987 694 G HN 1.334 nan 8.290 nan 0.000 0.547 695 A N -0.379 122.437 122.820 -0.007 0.000 1.935 695 A HA 0.106 4.426 4.320 -0.000 0.000 0.214 695 A C 2.149 179.705 177.584 -0.047 0.000 1.178 695 A CA 1.964 53.983 52.037 -0.031 0.000 0.640 695 A CB -0.449 18.495 19.000 -0.093 0.000 0.825 695 A HN 0.639 nan 8.150 nan 0.000 0.447 696 N N 0.708 119.384 118.700 -0.039 0.000 2.137 696 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 696 N C 1.723 177.238 175.510 0.008 0.000 1.017 696 N CA 1.597 54.631 53.050 -0.027 0.000 0.859 696 N CB -0.692 37.786 38.487 -0.015 0.000 1.002 696 N HN 0.268 nan 8.380 nan 0.000 0.428 697 V N 1.943 121.871 119.914 0.024 0.000 2.231 697 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 697 V C 2.088 178.234 176.094 0.087 0.000 1.054 697 V CA 1.822 64.150 62.300 0.045 0.000 1.015 697 V CB -0.487 31.363 31.823 0.045 0.000 0.638 697 V HN 0.391 nan 8.190 nan 0.000 0.444 698 E N -0.832 119.452 120.200 0.141 0.000 2.274 698 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 698 E C 2.117 178.956 176.600 0.397 0.000 0.996 698 E CA 1.041 57.592 56.400 0.252 0.000 0.840 698 E CB -0.179 29.723 29.700 0.337 0.000 0.772 698 E HN 0.565 nan 8.360 nan 0.000 0.491 699 M N 0.493 120.247 119.600 0.257 0.000 2.200 699 M HA -0.075 4.405 4.480 -0.000 0.000 0.265 699 M C 2.432 178.823 176.300 0.153 0.000 1.066 699 M CA 1.210 56.625 55.300 0.191 0.000 1.127 699 M CB -0.060 32.477 32.600 -0.105 0.000 1.379 699 M HN 0.114 nan 8.290 nan 0.000 0.420 700 A N 0.540 123.415 122.820 0.092 0.000 1.902 700 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 700 A C 1.856 179.479 177.584 0.066 0.000 1.181 700 A CA 1.666 53.738 52.037 0.058 0.000 0.623 700 A CB -0.695 18.325 19.000 0.033 0.000 0.818 700 A HN 0.553 nan 8.150 nan 0.000 0.443 701 E N -0.315 119.935 120.200 0.083 0.000 2.333 701 E HA -0.150 4.200 4.350 -0.000 0.000 0.198 701 E C 1.560 178.199 176.600 0.065 0.000 1.007 701 E CA 1.005 57.443 56.400 0.063 0.000 0.845 701 E CB 0.002 29.739 29.700 0.062 0.000 0.766 701 E HN 0.573 nan 8.360 nan 0.000 0.507 702 E N 0.050 120.316 120.200 0.110 0.000 2.127 702 E HA 0.059 4.408 4.350 -0.000 0.000 0.191 702 E C 1.816 178.478 176.600 0.104 0.000 0.964 702 E CA 0.843 57.307 56.400 0.106 0.000 0.832 702 E CB 0.097 29.900 29.700 0.171 0.000 0.790 702 E HN 0.220 nan 8.360 nan 0.000 0.465 703 A N 0.438 123.323 122.820 0.108 0.000 1.973 703 A HA 0.457 4.776 4.320 -0.000 0.000 0.210 703 A C 0.996 178.607 177.584 0.045 0.000 1.200 703 A CA 1.066 53.157 52.037 0.090 0.000 0.707 703 A CB 0.364 19.411 19.000 0.080 0.000 0.862 703 A HN 0.223 nan 8.150 nan 0.000 0.461 704 G N -0.394 108.424 108.800 0.030 0.000 3.239 704 G HA2 0.013 3.973 3.960 -0.000 0.000 0.666 704 G HA3 0.013 3.973 3.960 -0.000 0.000 0.666 704 G C -0.005 174.886 174.900 -0.015 0.000 1.313 704 G CA 0.262 45.363 45.100 0.003 0.000 1.001 704 G HN 0.319 nan 8.290 nan 0.000 0.573 705 E N 0.600 120.791 120.200 -0.014 0.000 2.253 705 E HA -0.270 4.080 4.350 -0.000 0.000 0.202 705 E C 1.875 178.435 176.600 -0.067 0.000 1.014 705 E CA 1.913 58.297 56.400 -0.027 0.000 0.823 705 E CB 0.083 29.772 29.700 -0.018 0.000 0.736 705 E HN 0.708 nan 8.360 nan 0.000 0.478 706 E N -0.072 120.084 120.200 -0.074 0.000 2.204 706 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 706 E C 1.241 177.740 176.600 -0.168 0.000 0.989 706 E CA 1.057 57.389 56.400 -0.113 0.000 0.824 706 E CB 0.016 29.669 29.700 -0.078 0.000 0.756 706 E HN 0.299 nan 8.360 nan 0.000 0.477 707 N N 0.143 118.768 118.700 -0.124 0.000 2.422 707 N HA 0.087 4.827 4.740 -0.000 0.000 0.181 707 N C 0.216 175.635 175.510 -0.152 0.000 1.080 707 N CA 0.382 53.351 53.050 -0.135 0.000 0.893 707 N CB 0.482 38.932 38.487 -0.062 0.000 0.973 707 N HN 0.181 nan 8.380 nan 0.000 0.456 708 L N -0.215 120.930 121.223 -0.131 0.000 2.330 708 L HA 0.408 4.748 4.340 -0.000 0.000 0.271 708 L C -0.336 176.466 176.870 -0.113 0.000 1.013 708 L CA -0.818 53.992 54.840 -0.050 0.000 0.816 708 L CB 1.073 43.135 42.059 0.006 0.000 1.287 708 L HN -0.162 nan 8.230 nan 0.000 0.435 709 F N 2.444 122.388 119.950 -0.010 0.000 2.606 709 F HA 0.230 4.757 4.527 -0.000 0.000 0.347 709 F C 0.546 176.425 175.800 0.133 0.000 1.207 709 F CA -0.442 57.577 58.000 0.030 0.000 1.306 709 F CB -0.196 38.799 39.000 -0.008 0.000 1.657 709 F HN 0.140 nan 8.300 nan 0.000 0.606 710 I N 2.607 123.286 120.570 0.181 0.000 2.710 710 I HA 0.040 4.210 4.170 -0.000 0.000 0.286 710 I C 0.159 176.458 176.117 0.303 0.000 1.181 710 I CA 0.156 61.571 61.300 0.191 0.000 1.430 710 I CB -0.758 37.281 38.000 0.064 0.000 1.367 710 I HN 0.334 nan 8.210 nan 0.000 0.577 711 F N 2.357 122.344 119.950 0.061 0.000 2.831 711 F HA 0.785 5.312 4.527 -0.001 0.000 0.318 711 F C 0.151 175.983 175.800 0.052 0.000 1.174 711 F CA -0.345 57.697 58.000 0.069 0.000 0.918 711 F CB 1.020 40.084 39.000 0.107 0.000 1.364 711 F HN 0.829 nan 8.300 nan 0.000 0.475 712 G N 1.144 109.908 108.800 -0.060 0.000 2.877 712 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.279 712 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.279 712 G C -0.684 174.136 174.900 -0.134 0.000 1.431 712 G CA -0.418 44.575 45.100 -0.178 0.000 0.883 712 G HN 0.970 nan 8.290 nan 0.000 0.547 713 M N 0.798 120.342 119.600 -0.093 0.000 2.250 713 M HA 0.189 4.669 4.480 -0.000 0.000 0.337 713 M C 1.354 177.604 176.300 -0.083 0.000 1.161 713 M CA 0.236 55.503 55.300 -0.054 0.000 1.088 713 M CB 0.229 32.809 32.600 -0.034 0.000 1.639 713 M HN 0.511 nan 8.290 nan 0.000 0.447 714 R N 1.991 122.463 120.500 -0.046 0.000 2.541 714 R HA 0.361 4.700 4.340 -0.000 0.000 0.263 714 R C 1.199 177.480 176.300 -0.032 0.000 1.112 714 R CA -0.396 55.678 56.100 -0.044 0.000 1.170 714 R CB 0.240 30.526 30.300 -0.023 0.000 1.167 714 R HN 0.766 nan 8.270 nan 0.000 0.582 715 I N 0.730 121.285 120.570 -0.024 0.000 2.423 715 I HA -0.273 3.897 4.170 -0.000 0.000 0.254 715 I C 1.197 177.309 176.117 -0.009 0.000 1.151 715 I CA 1.258 62.549 61.300 -0.015 0.000 1.421 715 I CB -0.243 37.752 38.000 -0.007 0.000 1.079 715 I HN 0.382 nan 8.210 nan 0.000 0.431 716 D N 1.074 121.471 120.400 -0.005 0.000 2.123 716 D HA -0.137 4.502 4.640 -0.000 0.000 0.200 716 D C 1.743 178.046 176.300 0.005 0.000 0.976 716 D CA 1.208 55.209 54.000 0.001 0.000 0.831 716 D CB -0.312 40.490 40.800 0.004 0.000 0.974 716 D HN 0.308 nan 8.370 nan 0.000 0.469 717 D N 0.485 120.888 120.400 0.006 0.000 2.123 717 D HA -0.114 4.526 4.640 -0.000 0.000 0.196 717 D C 2.299 178.607 176.300 0.014 0.000 0.992 717 D CA 0.512 54.521 54.000 0.016 0.000 0.833 717 D CB -0.474 40.337 40.800 0.018 0.000 0.954 717 D HN 0.096 nan 8.370 nan 0.000 0.455 718 V N 1.218 121.129 119.914 -0.005 0.000 2.343 718 V HA -0.189 3.931 4.120 -0.000 0.000 0.247 718 V C 2.463 178.551 176.094 -0.010 0.000 1.051 718 V CA 1.746 64.034 62.300 -0.019 0.000 1.036 718 V CB -0.863 30.939 31.823 -0.035 0.000 0.654 718 V HN 0.222 nan 8.190 nan 0.000 0.451 719 A N -0.214 122.603 122.820 -0.004 0.000 2.066 719 A HA 0.085 4.405 4.320 -0.000 0.000 0.218 719 A C 2.357 179.948 177.584 0.011 0.000 1.157 719 A CA 1.586 53.623 52.037 -0.001 0.000 0.670 719 A CB -0.489 18.510 19.000 -0.002 0.000 0.804 719 A HN 0.537 nan 8.150 nan 0.000 0.453 720 A N -0.476 122.355 122.820 0.018 0.000 1.897 720 A HA 0.052 4.372 4.320 -0.000 0.000 0.215 720 A C 2.018 179.627 177.584 0.043 0.000 1.181 720 A CA 1.558 53.612 52.037 0.029 0.000 0.620 720 A CB -0.475 18.545 19.000 0.033 0.000 0.821 720 A HN 0.610 nan 8.150 nan 0.000 0.443 721 L N -0.079 121.174 121.223 0.051 0.000 2.217 721 L HA 0.013 4.352 4.340 -0.000 0.000 0.211 721 L C 0.241 177.153 176.870 0.071 0.000 1.107 721 L CA 1.538 56.426 54.840 0.081 0.000 0.783 721 L CB -0.381 41.739 42.059 0.102 0.000 0.919 721 L HN 0.242 nan 8.230 nan 0.000 0.442 722 D N -0.289 120.132 120.400 0.035 0.000 2.504 722 D HA -0.004 4.636 4.640 -0.000 0.000 0.243 722 D C 1.150 177.467 176.300 0.027 0.000 1.203 722 D CA 0.255 54.270 54.000 0.025 0.000 0.847 722 D CB 0.444 41.241 40.800 -0.004 0.000 0.973 722 D HN 0.232 nan 8.370 nan 0.000 0.490 723 K N -0.319 120.104 120.400 0.038 0.000 2.590 723 K HA 0.093 4.412 4.320 -0.000 0.000 0.218 723 K C 1.347 177.970 176.600 0.039 0.000 1.536 723 K CA 0.246 56.552 56.287 0.032 0.000 1.013 723 K CB 0.675 33.191 32.500 0.026 0.000 1.265 723 K HN -0.263 nan 8.250 nan 0.000 0.603 724 K N -0.450 119.982 120.400 0.053 0.000 2.267 724 K HA 0.446 4.766 4.320 -0.000 0.000 0.213 724 K C -0.020 176.618 176.600 0.064 0.000 1.060 724 K CA 1.079 57.398 56.287 0.054 0.000 0.935 724 K CB 0.711 33.247 32.500 0.059 0.000 1.096 724 K HN 0.129 nan 8.250 nan 0.000 0.468 725 G N 1.267 110.124 108.800 0.096 0.000 2.177 725 G HA2 0.011 3.971 3.960 -0.000 0.000 0.202 725 G HA3 0.011 3.971 3.960 -0.000 0.000 0.202 725 G C -2.049 172.954 174.900 0.171 0.000 1.581 725 G CA -0.818 44.347 45.100 0.109 0.000 0.983 725 G HN 0.123 nan 8.290 nan 0.000 0.689 726 Y N 2.661 123.008 120.300 0.079 0.000 2.691 726 Y HA 0.579 5.129 4.550 -0.000 0.000 0.338 726 Y C 0.451 176.430 175.900 0.132 0.000 1.148 726 Y CA -0.901 57.277 58.100 0.130 0.000 1.430 726 Y CB 0.816 39.342 38.460 0.109 0.000 1.303 726 Y HN 0.520 nan 8.280 nan 0.000 0.499 727 E N 4.732 124.817 120.200 -0.191 0.000 1.963 727 E HA 0.350 4.700 4.350 -0.000 0.000 0.274 727 E C 0.691 177.093 176.600 -0.331 0.000 1.061 727 E CA 0.017 56.264 56.400 -0.254 0.000 0.847 727 E CB 0.781 30.395 29.700 -0.144 0.000 1.083 727 E HN 0.918 nan 8.360 nan 0.000 0.402 728 A N 4.847 127.393 122.820 -0.456 0.000 2.139 728 A HA -0.214 4.106 4.320 -0.000 0.000 0.221 728 A C 1.957 179.511 177.584 -0.049 0.000 1.159 728 A CA 1.375 53.378 52.037 -0.056 0.000 0.662 728 A CB -0.236 19.031 19.000 0.444 0.000 0.796 728 A HN 0.636 nan 8.150 nan 0.000 0.463 729 K N -0.087 120.075 120.400 -0.397 0.000 2.209 729 K HA -0.178 4.142 4.320 -0.000 0.000 0.204 729 K C 1.704 178.185 176.600 -0.199 0.000 1.048 729 K CA 1.500 57.465 56.287 -0.537 0.000 0.940 729 K CB -0.110 32.068 32.500 -0.537 0.000 0.729 729 K HN 0.712 nan 8.250 nan 0.000 0.451 730 E N -0.343 119.769 120.200 -0.147 0.000 2.001 730 E HA -0.203 4.146 4.350 -0.000 0.000 0.195 730 E C 1.926 178.459 176.600 -0.112 0.000 1.002 730 E CA 1.684 57.989 56.400 -0.160 0.000 0.819 730 E CB -0.374 29.166 29.700 -0.267 0.000 0.769 730 E HN 0.337 nan 8.360 nan 0.000 0.454 731 Y N -0.147 120.139 120.300 -0.023 0.000 2.228 731 Y HA -0.307 4.242 4.550 -0.000 0.000 0.285 731 Y C 2.322 178.186 175.900 -0.059 0.000 1.178 731 Y CA 1.530 59.639 58.100 0.014 0.000 1.202 731 Y CB -0.628 37.902 38.460 0.116 0.000 0.974 731 Y HN 0.220 nan 8.280 nan 0.000 0.527 732 Y N 1.287 121.505 120.300 -0.137 0.000 2.030 732 Y HA -0.328 4.222 4.550 -0.001 0.000 0.274 732 Y C 2.503 178.332 175.900 -0.118 0.000 1.153 732 Y CA 2.165 60.130 58.100 -0.226 0.000 1.115 732 Y CB -0.684 37.664 38.460 -0.186 0.000 0.969 732 Y HN 0.186 nan 8.280 nan 0.000 0.488 733 E N 0.169 120.230 120.200 -0.232 0.000 2.072 733 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 733 E C 2.213 178.712 176.600 -0.167 0.000 0.982 733 E CA 1.353 57.581 56.400 -0.287 0.000 0.803 733 E CB -0.617 28.978 29.700 -0.175 0.000 0.755 733 E HN 0.472 nan 8.360 nan 0.000 0.453 734 A N 0.469 123.229 122.820 -0.100 0.000 1.940 734 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 734 A C 1.018 178.597 177.584 -0.010 0.000 1.176 734 A CA 0.859 52.862 52.037 -0.056 0.000 0.631 734 A CB -0.420 18.541 19.000 -0.065 0.000 0.814 734 A HN 0.272 nan 8.150 nan 0.000 0.446 735 L N -0.333 120.898 121.223 0.014 0.000 2.275 735 L HA 0.256 4.596 4.340 -0.000 0.000 0.288 735 L C -1.777 175.093 176.870 0.000 0.000 1.046 735 L CA -2.029 52.854 54.840 0.072 0.000 0.805 735 L CB 1.784 43.956 42.059 0.187 0.000 1.193 735 L HN 0.057 nan 8.230 nan 0.000 0.426 736 P HA -0.120 nan 4.420 nan 0.000 0.208 736 P C 0.966 178.276 177.300 0.016 0.000 1.200 736 P CA 1.038 64.136 63.100 -0.004 0.000 0.924 736 P CB 0.300 32.011 31.700 0.020 0.000 0.774 737 E N -0.712 119.547 120.200 0.097 0.000 2.130 737 E HA -0.211 4.138 4.350 -0.000 0.000 0.196 737 E C 1.960 178.630 176.600 0.117 0.000 0.998 737 E CA 0.823 57.310 56.400 0.144 0.000 0.806 737 E CB -0.769 29.076 29.700 0.241 0.000 0.738 737 E HN 0.053 nan 8.360 nan 0.000 0.459 738 L N 1.903 123.147 121.223 0.036 0.000 2.012 738 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 738 L C 2.312 179.144 176.870 -0.063 0.000 1.073 738 L CA 1.967 56.642 54.840 -0.275 0.000 0.748 738 L CB -0.424 41.382 42.059 -0.421 0.000 0.891 738 L HN -0.041 nan 8.230 nan 0.000 0.431 739 K N -0.627 119.719 120.400 -0.089 0.000 2.020 739 K HA -0.274 4.046 4.320 -0.000 0.000 0.212 739 K C 2.185 178.803 176.600 0.030 0.000 1.050 739 K CA 2.300 58.490 56.287 -0.162 0.000 0.929 739 K CB -0.643 31.629 32.500 -0.379 0.000 0.714 739 K HN 0.323 nan 8.250 nan 0.000 0.443 740 L N 1.648 122.872 121.223 0.002 0.000 1.971 740 L HA -0.194 4.145 4.340 -0.000 0.000 0.215 740 L C 2.299 179.223 176.870 0.089 0.000 1.072 740 L CA 1.626 56.479 54.840 0.022 0.000 0.758 740 L CB -0.810 41.249 42.059 0.001 0.000 0.889 740 L HN 0.124 nan 8.230 nan 0.000 0.433 741 V N 0.025 120.014 119.914 0.125 0.000 2.219 741 V HA -0.351 3.769 4.120 -0.000 0.000 0.248 741 V C 2.566 178.783 176.094 0.205 0.000 1.053 741 V CA 2.076 64.492 62.300 0.193 0.000 1.009 741 V CB -0.739 31.186 31.823 0.170 0.000 0.636 741 V HN 0.423 nan 8.190 nan 0.000 0.445 742 I N 0.187 120.868 120.570 0.185 0.000 2.185 742 I HA -0.275 3.895 4.170 -0.000 0.000 0.246 742 I C 2.349 178.581 176.117 0.193 0.000 1.088 742 I CA 1.819 63.225 61.300 0.175 0.000 1.347 742 I CB -1.482 36.617 38.000 0.165 0.000 1.041 742 I HN 0.408 nan 8.210 nan 0.000 0.415 743 D N 0.390 120.939 120.400 0.248 0.000 2.117 743 D HA -0.182 4.458 4.640 -0.000 0.000 0.197 743 D C 2.270 178.678 176.300 0.180 0.000 0.987 743 D CA 1.056 55.184 54.000 0.213 0.000 0.829 743 D CB -0.098 40.809 40.800 0.179 0.000 0.961 743 D HN 0.489 nan 8.370 nan 0.000 0.460 744 Q N 0.022 119.931 119.800 0.182 0.000 2.135 744 Q HA -0.118 4.221 4.340 -0.000 0.000 0.204 744 Q C 2.434 178.655 176.000 0.369 0.000 0.981 744 Q CA 0.809 56.751 55.803 0.230 0.000 0.856 744 Q CB 0.032 28.921 28.738 0.252 0.000 0.902 744 Q HN 0.387 nan 8.270 nan 0.000 0.425 745 I N 0.285 121.067 120.570 0.354 0.000 2.286 745 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 745 I C 1.893 178.220 176.117 0.350 0.000 1.104 745 I CA 1.131 62.648 61.300 0.362 0.000 1.397 745 I CB -0.128 37.973 38.000 0.168 0.000 1.072 745 I HN 0.142 nan 8.210 nan 0.000 0.417 746 D N 0.866 121.409 120.400 0.237 0.000 2.194 746 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 746 D C 1.681 178.087 176.300 0.176 0.000 0.964 746 D CA 1.223 55.338 54.000 0.192 0.000 0.846 746 D CB -0.042 40.844 40.800 0.144 0.000 0.962 746 D HN 0.281 nan 8.370 nan 0.000 0.490 747 N N -1.024 117.782 118.700 0.178 0.000 2.422 747 N HA 0.176 4.915 4.740 -0.000 0.000 0.181 747 N C 0.773 176.373 175.510 0.151 0.000 1.080 747 N CA 0.562 53.698 53.050 0.144 0.000 0.893 747 N CB 0.738 39.299 38.487 0.123 0.000 0.973 747 N HN 0.174 nan 8.380 nan 0.000 0.456 748 G N 0.591 109.514 108.800 0.205 0.000 2.203 748 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.231 748 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.231 748 G C 0.387 175.393 174.900 0.176 0.000 1.058 748 G CA -0.135 45.076 45.100 0.185 0.000 0.781 748 G HN 0.336 nan 8.290 nan 0.000 0.496 749 F N 0.315 120.273 119.950 0.013 0.000 2.186 749 F HA 0.246 4.772 4.527 -0.001 0.000 0.299 749 F C 1.827 177.440 175.800 -0.312 0.000 1.090 749 F CA 1.316 59.197 58.000 -0.200 0.000 1.307 749 F CB -0.136 38.650 39.000 -0.357 0.000 1.019 749 F HN 0.179 nan 8.300 nan 0.000 0.489 750 F N -0.082 119.864 119.950 -0.006 0.000 2.727 750 F HA 0.198 4.725 4.527 -0.000 0.000 0.302 750 F C 0.817 176.641 175.800 0.039 0.000 1.097 750 F CA 0.413 58.353 58.000 -0.100 0.000 1.330 750 F CB -0.354 38.635 39.000 -0.019 0.000 1.084 750 F HN 0.030 nan 8.300 nan 0.000 0.578 751 S N -1.002 114.791 115.700 0.155 0.000 2.486 751 S HA 0.247 4.717 4.470 -0.000 0.000 0.144 751 S C -2.079 172.518 174.600 -0.005 0.000 1.542 751 S CA -0.939 57.285 58.200 0.041 0.000 1.262 751 S CB 0.722 63.861 63.200 -0.101 0.000 1.462 751 S HN -0.108 nan 8.310 nan 0.000 0.381 752 P HA -0.138 nan 4.420 nan 0.000 0.216 752 P C 1.021 178.316 177.300 -0.009 0.000 1.150 752 P CA 1.230 64.324 63.100 -0.011 0.000 0.837 752 P CB 0.121 31.805 31.700 -0.028 0.000 0.786 753 K N -0.753 119.638 120.400 -0.017 0.000 2.217 753 K HA -0.024 4.296 4.320 -0.000 0.000 0.202 753 K C 0.824 177.414 176.600 -0.016 0.000 1.051 753 K CA 0.928 57.208 56.287 -0.012 0.000 0.952 753 K CB -0.131 32.364 32.500 -0.008 0.000 0.736 753 K HN 0.238 nan 8.250 nan 0.000 0.453 754 Q N -0.676 119.102 119.800 -0.036 0.000 3.412 754 Q HA 0.145 4.485 4.340 -0.000 0.000 0.219 754 Q C -2.136 173.814 176.000 -0.083 0.000 0.913 754 Q CA -1.179 54.593 55.803 -0.052 0.000 0.722 754 Q CB 1.993 30.695 28.738 -0.060 0.000 1.385 754 Q HN -0.105 nan 8.270 nan 0.000 0.461 755 P HA -0.172 nan 4.420 nan 0.000 0.217 755 P C 0.210 177.511 177.300 0.002 0.000 1.150 755 P CA 1.309 64.414 63.100 0.007 0.000 0.832 755 P CB 0.371 32.094 31.700 0.040 0.000 0.787 756 D N -0.562 119.834 120.400 -0.007 0.000 2.336 756 D HA -0.050 4.590 4.640 -0.000 0.000 0.229 756 D C 1.844 178.126 176.300 -0.031 0.000 1.061 756 D CA -0.130 53.877 54.000 0.012 0.000 0.875 756 D CB -0.403 40.413 40.800 0.027 0.000 0.904 756 D HN 0.077 nan 8.370 nan 0.000 0.525 757 L N 0.394 121.518 121.223 -0.165 0.000 1.989 757 L HA -0.134 4.205 4.340 -0.000 0.000 0.211 757 L C 1.414 178.126 176.870 -0.263 0.000 1.071 757 L CA 1.736 56.393 54.840 -0.306 0.000 0.749 757 L CB -0.793 40.864 42.059 -0.670 0.000 0.890 757 L HN -0.121 nan 8.230 nan 0.000 0.431 758 F N -0.480 119.510 119.950 0.066 0.000 2.773 758 F HA 0.139 4.666 4.527 -0.000 0.000 0.304 758 F C 2.059 177.898 175.800 0.066 0.000 1.129 758 F CA 0.103 58.131 58.000 0.047 0.000 1.378 758 F CB -1.019 37.994 39.000 0.023 0.000 1.095 758 F HN 0.084 nan 8.300 nan 0.000 0.565 759 K N 1.066 121.570 120.400 0.173 0.000 2.160 759 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 759 K C 1.374 178.069 176.600 0.158 0.000 1.047 759 K CA 1.715 58.090 56.287 0.148 0.000 0.930 759 K CB -0.299 32.267 32.500 0.109 0.000 0.720 759 K HN 0.072 nan 8.250 nan 0.000 0.450 760 D N -0.363 120.148 120.400 0.185 0.000 2.224 760 D HA -0.066 4.573 4.640 -0.000 0.000 0.205 760 D C 1.706 178.119 176.300 0.189 0.000 0.965 760 D CA 0.670 54.791 54.000 0.202 0.000 0.852 760 D CB 0.016 40.989 40.800 0.290 0.000 0.947 760 D HN 0.278 nan 8.370 nan 0.000 0.494 761 I N 0.305 120.981 120.570 0.177 0.000 2.761 761 I HA -0.163 4.006 4.170 -0.000 0.000 0.261 761 I C 1.421 177.554 176.117 0.026 0.000 1.198 761 I CA 0.482 61.842 61.300 0.101 0.000 1.482 761 I CB 0.266 38.308 38.000 0.070 0.000 1.100 761 I HN -0.111 nan 8.210 nan 0.000 0.445 762 I N 1.017 121.607 120.570 0.034 0.000 2.162 762 I HA -0.222 3.948 4.170 -0.000 0.000 0.238 762 I C 2.100 178.191 176.117 -0.043 0.000 1.076 762 I CA 1.222 62.469 61.300 -0.089 0.000 1.353 762 I CB -1.939 36.046 38.000 -0.025 0.000 1.063 762 I HN 0.289 nan 8.210 nan 0.000 0.408 763 N N 0.893 119.673 118.700 0.133 0.000 2.137 763 N HA -0.186 4.554 4.740 -0.000 0.000 0.190 763 N C 1.743 177.441 175.510 0.312 0.000 1.017 763 N CA 1.377 54.595 53.050 0.281 0.000 0.859 763 N CB -0.253 38.391 38.487 0.263 0.000 1.002 763 N HN 0.299 nan 8.380 nan 0.000 0.428 764 M N -0.040 119.691 119.600 0.219 0.000 2.193 764 M HA 0.016 4.496 4.480 -0.000 0.000 0.265 764 M C 2.001 178.408 176.300 0.178 0.000 1.071 764 M CA 0.580 56.025 55.300 0.241 0.000 1.140 764 M CB -1.033 31.682 32.600 0.191 0.000 1.369 764 M HN 0.044 nan 8.290 nan 0.000 0.423 765 L N -0.223 121.019 121.223 0.032 0.000 2.042 765 L HA -0.151 4.188 4.340 -0.000 0.000 0.210 765 L C 2.020 178.941 176.870 0.085 0.000 1.076 765 L CA 1.875 56.655 54.840 -0.099 0.000 0.749 765 L CB -0.823 41.017 42.059 -0.364 0.000 0.893 765 L HN 0.121 nan 8.230 nan 0.000 0.432 766 F N -2.245 117.753 119.950 0.079 0.000 2.061 766 F HA -0.205 4.321 4.527 -0.000 0.000 0.283 766 F C 2.120 177.826 175.800 -0.157 0.000 1.218 766 F CA 0.476 58.419 58.000 -0.094 0.000 1.123 766 F CB -0.749 38.045 39.000 -0.343 0.000 1.004 766 F HN -0.146 nan 8.300 nan 0.000 0.493 767 Y N -1.316 119.128 120.300 0.240 0.000 2.651 767 Y HA -0.131 4.418 4.550 -0.000 0.000 0.296 767 Y C 1.130 176.845 175.900 -0.308 0.000 1.150 767 Y CA 0.785 58.856 58.100 -0.048 0.000 1.348 767 Y CB -0.414 37.995 38.460 -0.085 0.000 0.983 767 Y HN 0.224 nan 8.280 nan 0.000 0.555 768 H N -1.621 117.608 119.070 0.265 0.000 2.985 768 H HA 0.092 4.648 4.556 -0.000 0.000 0.246 768 H C 0.060 175.480 175.328 0.154 0.000 1.181 768 H CA -0.366 55.796 56.048 0.190 0.000 0.972 768 H CB 0.207 30.071 29.762 0.171 0.000 2.016 768 H HN 0.301 nan 8.280 nan 0.000 0.672 769 D N 0.778 121.325 120.400 0.245 0.000 2.312 769 D HA 0.071 4.711 4.640 -0.000 0.000 0.244 769 D C 1.087 177.431 176.300 0.074 0.000 1.328 769 D CA 0.269 54.383 54.000 0.191 0.000 0.965 769 D CB 1.388 42.353 40.800 0.275 0.000 1.140 769 D HN 0.258 nan 8.370 nan 0.000 0.523 770 R N -1.317 119.119 120.500 -0.107 0.000 2.424 770 R HA 0.031 4.371 4.340 -0.000 0.000 0.175 770 R C 0.627 176.448 176.300 -0.798 0.000 0.929 770 R CA -0.088 55.733 56.100 -0.464 0.000 1.790 770 R CB 0.262 30.166 30.300 -0.659 0.000 1.653 770 R HN 0.259 nan 8.270 nan 0.000 0.487 771 F N 2.519 122.438 119.950 -0.052 0.000 2.654 771 F HA 0.322 4.849 4.527 -0.000 0.000 0.303 771 F C -0.053 175.620 175.800 -0.211 0.000 1.099 771 F CA -0.430 57.515 58.000 -0.092 0.000 1.270 771 F CB 0.839 39.837 39.000 -0.005 0.000 1.024 771 F HN -0.300 nan 8.300 nan 0.000 0.548 772 K N 0.082 120.292 120.400 -0.317 0.000 4.405 772 K HA -0.152 4.168 4.320 -0.000 0.000 0.287 772 K C 0.795 177.261 176.600 -0.223 0.000 0.905 772 K CA 0.341 56.272 56.287 -0.594 0.000 0.867 772 K CB -2.120 29.968 32.500 -0.687 0.000 1.652 772 K HN 0.259 nan 8.250 nan 0.000 0.435 773 V N 0.152 119.980 119.914 -0.144 0.000 2.283 773 V HA -0.203 3.917 4.120 -0.000 0.000 0.243 773 V C 2.158 178.250 176.094 -0.004 0.000 1.039 773 V CA 2.054 64.272 62.300 -0.138 0.000 1.016 773 V CB -0.502 31.137 31.823 -0.307 0.000 0.650 773 V HN 0.526 nan 8.190 nan 0.000 0.449 774 F N 0.855 120.877 119.950 0.119 0.000 2.134 774 F HA -0.135 4.391 4.527 -0.001 0.000 0.299 774 F C 2.580 178.231 175.800 -0.250 0.000 1.097 774 F CA 0.923 58.945 58.000 0.038 0.000 1.264 774 F CB -0.570 38.479 39.000 0.081 0.000 1.001 774 F HN 0.126 nan 8.300 nan 0.000 0.479 775 A N -0.464 122.221 122.820 -0.226 0.000 2.024 775 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 775 A C 1.521 179.066 177.584 -0.065 0.000 1.164 775 A CA 2.153 53.901 52.037 -0.482 0.000 0.643 775 A CB -0.502 18.378 19.000 -0.199 0.000 0.806 775 A HN 0.285 nan 8.150 nan 0.000 0.451 776 D N -3.109 117.326 120.400 0.058 0.000 2.398 776 D HA 0.101 4.741 4.640 -0.000 0.000 0.210 776 D C 1.155 177.650 176.300 0.324 0.000 1.094 776 D CA -0.075 54.032 54.000 0.178 0.000 0.839 776 D CB -0.120 40.747 40.800 0.112 0.000 0.963 776 D HN 0.532 nan 8.370 nan 0.000 0.506 777 Y N 2.371 122.803 120.300 0.220 0.000 2.014 777 Y HA -0.271 4.279 4.550 -0.000 0.000 0.270 777 Y C 2.266 178.346 175.900 0.301 0.000 1.145 777 Y CA 2.236 60.519 58.100 0.305 0.000 1.106 777 Y CB -0.065 38.592 38.460 0.328 0.000 0.968 777 Y HN -0.091 nan 8.280 nan 0.000 0.484 778 E N -0.002 120.344 120.200 0.243 0.000 2.070 778 E HA -0.285 4.065 4.350 -0.000 0.000 0.197 778 E C 2.229 178.869 176.600 0.067 0.000 1.004 778 E CA 1.293 57.756 56.400 0.105 0.000 0.805 778 E CB -0.425 29.438 29.700 0.271 0.000 0.744 778 E HN 0.604 nan 8.360 nan 0.000 0.451 779 A N 0.126 123.057 122.820 0.184 0.000 1.972 779 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 779 A C 1.980 179.708 177.584 0.241 0.000 1.169 779 A CA 1.433 53.608 52.037 0.230 0.000 0.635 779 A CB -0.714 18.464 19.000 0.298 0.000 0.810 779 A HN 0.558 nan 8.150 nan 0.000 0.446 780 Y N 0.640 120.952 120.300 0.019 0.000 2.184 780 Y HA -0.094 4.456 4.550 -0.001 0.000 0.290 780 Y C 2.297 177.915 175.900 -0.470 0.000 1.129 780 Y CA 1.553 59.435 58.100 -0.363 0.000 1.144 780 Y CB -0.449 37.887 38.460 -0.206 0.000 0.995 780 Y HN 0.062 nan 8.280 nan 0.000 0.513 781 V N 0.729 120.363 119.914 -0.467 0.000 2.358 781 V HA -0.238 3.881 4.120 -0.000 0.000 0.246 781 V C 2.336 178.264 176.094 -0.277 0.000 1.047 781 V CA 2.165 64.204 62.300 -0.435 0.000 1.035 781 V CB -0.815 30.834 31.823 -0.289 0.000 0.658 781 V HN 0.199 nan 8.190 nan 0.000 0.452 782 K N 0.425 120.728 120.400 -0.162 0.000 2.063 782 K HA -0.198 4.121 4.320 -0.000 0.000 0.208 782 K C 2.208 178.758 176.600 -0.083 0.000 1.048 782 K CA 2.138 58.381 56.287 -0.073 0.000 0.928 782 K CB -1.297 31.202 32.500 -0.002 0.000 0.713 782 K HN 0.479 nan 8.250 nan 0.000 0.442 783 C N 0.838 120.067 119.300 -0.119 0.000 2.413 783 C HA -0.110 4.349 4.460 -0.000 0.000 0.276 783 C C 2.572 177.447 174.990 -0.193 0.000 1.236 783 C CA 1.092 60.064 59.018 -0.075 0.000 1.735 783 C CB -0.870 26.786 27.740 -0.141 0.000 2.031 783 C HN 0.545 nan 8.230 nan 0.000 0.474 784 Q N 0.269 119.799 119.800 -0.451 0.000 2.096 784 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 784 Q C 1.830 177.658 176.000 -0.287 0.000 0.982 784 Q CA 1.760 57.247 55.803 -0.527 0.000 0.850 784 Q CB -0.645 27.555 28.738 -0.896 0.000 0.901 784 Q HN 0.721 nan 8.270 nan 0.000 0.422 785 D N 0.497 120.793 120.400 -0.174 0.000 2.178 785 D HA -0.123 4.517 4.640 -0.000 0.000 0.201 785 D C 1.658 177.935 176.300 -0.038 0.000 0.980 785 D CA 0.911 54.854 54.000 -0.095 0.000 0.842 785 D CB 0.098 40.865 40.800 -0.054 0.000 0.948 785 D HN 0.275 nan 8.370 nan 0.000 0.472 786 K N 0.447 120.859 120.400 0.021 0.000 2.155 786 K HA -0.036 4.283 4.320 -0.000 0.000 0.203 786 K C 2.198 178.936 176.600 0.230 0.000 1.052 786 K CA 0.352 56.747 56.287 0.180 0.000 0.948 786 K CB 0.228 32.916 32.500 0.313 0.000 0.728 786 K HN 0.010 nan 8.250 nan 0.000 0.448 787 V N 1.030 120.882 119.914 -0.103 0.000 2.323 787 V HA -0.206 3.914 4.120 -0.000 0.000 0.244 787 V C 2.119 178.212 176.094 -0.002 0.000 1.041 787 V CA 1.743 63.849 62.300 -0.323 0.000 1.025 787 V CB -0.335 31.110 31.823 -0.629 0.000 0.656 787 V HN 0.225 nan 8.190 nan 0.000 0.451 788 S N 0.691 116.322 115.700 -0.116 0.000 2.359 788 S HA -0.304 4.165 4.470 -0.000 0.000 0.224 788 S C 2.025 176.618 174.600 -0.012 0.000 1.035 788 S CA 2.065 60.183 58.200 -0.136 0.000 1.018 788 S CB -0.448 62.616 63.200 -0.227 0.000 0.876 788 S HN 0.863 nan 8.310 nan 0.000 0.448 789 Q N 0.668 120.486 119.800 0.029 0.000 2.119 789 Q HA -0.043 4.297 4.340 -0.000 0.000 0.201 789 Q C 2.192 178.271 176.000 0.132 0.000 0.972 789 Q CA 1.120 56.961 55.803 0.064 0.000 0.847 789 Q CB -0.566 28.208 28.738 0.060 0.000 0.903 789 Q HN 0.455 nan 8.270 nan 0.000 0.433 790 L N 0.164 121.533 121.223 0.243 0.000 2.093 790 L HA -0.120 4.219 4.340 -0.000 0.000 0.208 790 L C 2.218 179.314 176.870 0.377 0.000 1.085 790 L CA 1.668 56.730 54.840 0.368 0.000 0.755 790 L CB -0.862 41.555 42.059 0.596 0.000 0.904 790 L HN 0.253 nan 8.230 nan 0.000 0.435 791 Y N -0.522 119.837 120.300 0.098 0.000 2.483 791 Y HA -0.200 4.350 4.550 -0.000 0.000 0.291 791 Y C 2.270 178.029 175.900 -0.234 0.000 1.143 791 Y CA 1.552 59.422 58.100 -0.384 0.000 1.289 791 Y CB -0.184 37.835 38.460 -0.735 0.000 0.983 791 Y HN 0.233 nan 8.280 nan 0.000 0.556 792 M N -0.477 119.114 119.600 -0.014 0.000 2.394 792 M HA -0.157 4.322 4.480 -0.000 0.000 0.264 792 M C 0.395 176.655 176.300 -0.067 0.000 1.073 792 M CA 1.124 56.399 55.300 -0.041 0.000 1.111 792 M CB -0.130 32.472 32.600 0.004 0.000 1.401 792 M HN 0.194 nan 8.290 nan 0.000 0.448 793 N N 0.585 119.269 118.700 -0.028 0.000 2.558 793 N HA 0.157 4.897 4.740 -0.000 0.000 0.242 793 N C -2.345 173.162 175.510 -0.005 0.000 0.979 793 N CA -1.671 51.376 53.050 -0.007 0.000 0.931 793 N CB 1.583 40.096 38.487 0.043 0.000 1.122 793 N HN -0.226 nan 8.380 nan 0.000 0.508 794 P HA -0.234 nan 4.420 nan 0.000 0.215 794 P C 1.194 178.517 177.300 0.039 0.000 1.163 794 P CA 1.304 64.362 63.100 -0.070 0.000 0.894 794 P CB 0.259 31.896 31.700 -0.104 0.000 0.791 795 K N -0.540 119.878 120.400 0.029 0.000 2.032 795 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 795 K C 1.996 178.640 176.600 0.074 0.000 1.048 795 K CA 1.762 58.077 56.287 0.047 0.000 0.927 795 K CB -0.665 31.855 32.500 0.035 0.000 0.712 795 K HN -0.016 nan 8.250 nan 0.000 0.441 796 A N 1.269 124.141 122.820 0.087 0.000 1.902 796 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 796 A C 1.987 179.651 177.584 0.133 0.000 1.181 796 A CA 1.273 53.369 52.037 0.098 0.000 0.623 796 A CB -1.014 18.049 19.000 0.105 0.000 0.818 796 A HN 0.718 nan 8.150 nan 0.000 0.443 797 W N 1.069 122.363 121.300 -0.011 0.000 2.378 797 W HA -0.170 4.490 4.660 -0.000 0.000 0.313 797 W C 1.712 178.230 176.519 -0.001 0.000 1.197 797 W CA 1.833 59.178 57.345 -0.000 0.000 1.304 797 W CB -0.593 28.815 29.460 -0.087 0.000 1.148 797 W HN 0.531 nan 8.180 nan 0.000 0.494 798 N N -0.518 118.288 118.700 0.177 0.000 2.188 798 N HA -0.181 4.559 4.740 -0.000 0.000 0.184 798 N C 1.799 177.321 175.510 0.020 0.000 1.018 798 N CA 2.519 55.614 53.050 0.074 0.000 0.858 798 N CB -0.398 38.126 38.487 0.062 0.000 0.989 798 N HN 0.082 nan 8.380 nan 0.000 0.426 799 T N -0.495 114.081 114.554 0.037 0.000 2.788 799 T HA -0.175 4.174 4.350 -0.000 0.000 0.268 799 T C 1.789 176.495 174.700 0.010 0.000 1.044 799 T CA 0.857 62.983 62.100 0.044 0.000 1.139 799 T CB -0.198 68.699 68.868 0.049 0.000 0.867 799 T HN 0.183 nan 8.240 nan 0.000 0.454 800 M N 0.706 120.277 119.600 -0.049 0.000 2.236 800 M HA 0.026 4.506 4.480 -0.000 0.000 0.266 800 M C 2.145 178.374 176.300 -0.118 0.000 1.070 800 M CA 0.995 56.237 55.300 -0.096 0.000 1.137 800 M CB -0.216 32.283 32.600 -0.168 0.000 1.378 800 M HN 0.159 nan 8.290 nan 0.000 0.426 801 V N 0.937 120.755 119.914 -0.160 0.000 2.261 801 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 801 V C 2.334 178.403 176.094 -0.042 0.000 1.047 801 V CA 1.726 63.950 62.300 -0.127 0.000 1.015 801 V CB -0.811 30.951 31.823 -0.103 0.000 0.642 801 V HN 0.538 nan 8.190 nan 0.000 0.446 802 L N 0.019 121.239 121.223 -0.005 0.000 2.127 802 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 802 L C 2.342 179.206 176.870 -0.011 0.000 1.089 802 L CA 1.938 56.797 54.840 0.030 0.000 0.757 802 L CB -0.705 41.424 42.059 0.117 0.000 0.899 802 L HN 0.237 nan 8.230 nan 0.000 0.434 803 K N -0.820 119.592 120.400 0.019 0.000 2.097 803 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 803 K C 1.933 178.568 176.600 0.058 0.000 1.050 803 K CA 1.350 57.681 56.287 0.072 0.000 0.938 803 K CB -0.177 32.367 32.500 0.072 0.000 0.718 803 K HN 0.481 nan 8.250 nan 0.000 0.442 804 N N 0.934 119.642 118.700 0.014 0.000 2.109 804 N HA -0.080 4.660 4.740 -0.000 0.000 0.188 804 N C 1.982 177.514 175.510 0.036 0.000 1.034 804 N CA 1.105 54.169 53.050 0.025 0.000 0.846 804 N CB -0.083 38.398 38.487 -0.009 0.000 1.010 804 N HN 0.103 nan 8.380 nan 0.000 0.425 805 I N 1.553 122.129 120.570 0.009 0.000 2.208 805 I HA -0.224 3.945 4.170 -0.000 0.000 0.245 805 I C 2.308 178.417 176.117 -0.014 0.000 1.097 805 I CA 0.920 62.225 61.300 0.008 0.000 1.363 805 I CB -0.318 37.677 38.000 -0.008 0.000 1.051 805 I HN 0.071 nan 8.210 nan 0.000 0.413 806 A N 0.332 123.101 122.820 -0.085 0.000 2.172 806 A HA 0.136 4.455 4.320 -0.000 0.000 0.216 806 A C 2.191 179.760 177.584 -0.025 0.000 1.154 806 A CA 1.466 53.382 52.037 -0.201 0.000 0.701 806 A CB -0.416 18.165 19.000 -0.698 0.000 0.789 806 A HN 0.447 nan 8.150 nan 0.000 0.465 807 A N -0.360 122.508 122.820 0.080 0.000 2.390 807 A HA 0.302 4.621 4.320 -0.000 0.000 0.232 807 A C 1.947 179.640 177.584 0.180 0.000 1.233 807 A CA 0.922 53.052 52.037 0.155 0.000 0.907 807 A CB -0.347 18.761 19.000 0.179 0.000 0.967 807 A HN 0.691 nan 8.150 nan 0.000 0.512 808 S N -0.681 115.130 115.700 0.185 0.000 2.489 808 S HA 0.044 4.513 4.470 -0.000 0.000 0.228 808 S C 1.943 176.688 174.600 0.242 0.000 0.995 808 S CA 0.938 59.323 58.200 0.308 0.000 0.934 808 S CB -0.761 62.566 63.200 0.211 0.000 0.771 808 S HN 0.642 nan 8.310 nan 0.000 0.522 809 G N 3.190 112.063 108.800 0.122 0.000 2.562 809 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.223 809 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.223 809 G C 1.389 176.294 174.900 0.009 0.000 1.102 809 G CA 1.276 46.422 45.100 0.076 0.000 0.742 809 G HN 0.831 nan 8.290 nan 0.000 0.587 810 K N -0.717 119.610 120.400 -0.122 0.000 2.418 810 K HA 0.228 4.547 4.320 -0.000 0.000 0.195 810 K C 1.041 177.432 176.600 -0.348 0.000 1.035 810 K CA 0.260 56.384 56.287 -0.272 0.000 1.003 810 K CB -0.138 32.114 32.500 -0.414 0.000 0.793 810 K HN 0.223 nan 8.250 nan 0.000 0.494 811 F N 1.856 121.838 119.950 0.053 0.000 2.676 811 F HA 0.206 4.733 4.527 -0.000 0.000 0.300 811 F C 0.686 176.526 175.800 0.068 0.000 1.160 811 F CA -0.523 57.511 58.000 0.055 0.000 1.401 811 F CB 0.008 39.030 39.000 0.037 0.000 1.037 811 F HN -0.027 nan 8.300 nan 0.000 0.522 812 S N -0.093 115.700 115.700 0.155 0.000 2.565 812 S HA 0.139 4.609 4.470 -0.000 0.000 0.274 812 S C 1.427 176.115 174.600 0.147 0.000 1.309 812 S CA -0.123 58.161 58.200 0.139 0.000 1.043 812 S CB 0.809 64.062 63.200 0.088 0.000 0.939 812 S HN 0.333 nan 8.310 nan 0.000 0.504 813 S N 3.033 118.840 115.700 0.179 0.000 2.515 813 S HA -0.042 4.428 4.470 -0.000 0.000 0.231 813 S C 0.898 175.561 174.600 0.104 0.000 0.987 813 S CA 0.566 58.897 58.200 0.218 0.000 0.936 813 S CB -0.338 63.064 63.200 0.336 0.000 0.766 813 S HN 0.765 nan 8.310 nan 0.000 0.528 814 D N 1.906 122.352 120.400 0.076 0.000 2.144 814 D HA -0.048 4.591 4.640 -0.000 0.000 0.200 814 D C 2.023 178.336 176.300 0.022 0.000 0.978 814 D CA 0.773 54.796 54.000 0.038 0.000 0.833 814 D CB -0.295 40.523 40.800 0.030 0.000 0.961 814 D HN 0.371 nan 8.370 nan 0.000 0.470 815 R N 0.433 120.951 120.500 0.030 0.000 2.066 815 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 815 R C 1.782 178.088 176.300 0.011 0.000 1.131 815 R CA 1.469 57.575 56.100 0.011 0.000 0.955 815 R CB -0.389 29.910 30.300 -0.002 0.000 0.851 815 R HN 0.113 nan 8.270 nan 0.000 0.432 816 T N 2.039 116.620 114.554 0.046 0.000 2.684 816 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 816 T C 1.893 176.606 174.700 0.021 0.000 1.036 816 T CA 1.232 63.380 62.100 0.080 0.000 1.148 816 T CB -0.111 68.875 68.868 0.197 0.000 0.863 816 T HN 0.115 nan 8.240 nan 0.000 0.436 817 I N 1.372 121.871 120.570 -0.119 0.000 2.286 817 I HA -0.085 4.085 4.170 -0.000 0.000 0.248 817 I C 2.267 178.363 176.117 -0.035 0.000 1.115 817 I CA 1.356 62.563 61.300 -0.155 0.000 1.392 817 I CB -0.905 37.020 38.000 -0.125 0.000 1.065 817 I HN 0.283 nan 8.210 nan 0.000 0.418 818 K N 0.571 120.962 120.400 -0.015 0.000 2.147 818 K HA -0.180 4.139 4.320 -0.000 0.000 0.205 818 K C 1.962 178.538 176.600 -0.039 0.000 1.049 818 K CA 1.278 57.561 56.287 -0.007 0.000 0.936 818 K CB -0.020 32.478 32.500 -0.004 0.000 0.722 818 K HN 0.429 nan 8.250 nan 0.000 0.446 819 E N -0.449 119.715 120.200 -0.060 0.000 2.072 819 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 819 E C 1.833 178.298 176.600 -0.225 0.000 0.982 819 E CA 1.080 57.406 56.400 -0.123 0.000 0.803 819 E CB -0.108 29.511 29.700 -0.134 0.000 0.755 819 E HN 0.345 nan 8.360 nan 0.000 0.453 820 Y N 0.952 120.974 120.300 -0.463 0.000 2.181 820 Y HA -0.208 4.341 4.550 -0.001 0.000 0.288 820 Y C 2.500 177.881 175.900 -0.866 0.000 1.146 820 Y CA 1.093 58.661 58.100 -0.888 0.000 1.164 820 Y CB -0.238 37.317 38.460 -1.510 0.000 0.982 820 Y HN 0.060 nan 8.280 nan 0.000 0.515 821 A N -0.421 122.242 122.820 -0.263 0.000 1.933 821 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 821 A C 2.120 179.727 177.584 0.037 0.000 1.175 821 A CA 1.978 54.071 52.037 0.094 0.000 0.628 821 A CB -0.640 18.473 19.000 0.187 0.000 0.814 821 A HN 0.559 nan 8.150 nan 0.000 0.444 822 Q N -0.596 119.180 119.800 -0.040 0.000 2.089 822 Q HA -0.065 4.275 4.340 -0.000 0.000 0.195 822 Q C 1.462 177.431 176.000 -0.051 0.000 0.963 822 Q CA 1.508 57.293 55.803 -0.030 0.000 0.834 822 Q CB -0.027 28.689 28.738 -0.037 0.000 0.906 822 Q HN 0.825 nan 8.270 nan 0.000 0.452 823 N N -0.983 117.646 118.700 -0.119 0.000 2.356 823 N HA 0.160 4.900 4.740 -0.000 0.000 0.178 823 N C 1.101 176.539 175.510 -0.121 0.000 1.075 823 N CA 0.404 53.383 53.050 -0.119 0.000 0.889 823 N CB 0.685 39.076 38.487 -0.161 0.000 0.999 823 N HN 0.216 nan 8.380 nan 0.000 0.464 824 I N -1.405 119.056 120.570 -0.182 0.000 3.739 824 I HA 0.094 4.264 4.170 -0.000 0.000 0.272 824 I C 0.871 177.080 176.117 0.152 0.000 1.167 824 I CA 0.023 61.250 61.300 -0.122 0.000 1.386 824 I CB 0.169 37.945 38.000 -0.373 0.000 1.490 824 I HN 0.125 nan 8.210 nan 0.000 0.452 825 W N 1.486 122.879 121.300 0.155 0.000 2.863 825 W HA 0.167 4.827 4.660 -0.001 0.000 0.258 825 W C 0.611 177.169 176.519 0.067 0.000 1.298 825 W CA 0.021 57.442 57.345 0.126 0.000 1.451 825 W CB -1.245 28.279 29.460 0.108 0.000 1.107 825 W HN 0.320 nan 8.180 nan 0.000 0.641 826 N N 0.289 119.124 118.700 0.225 0.000 2.708 826 N HA -0.184 4.555 4.740 -0.000 0.000 0.255 826 N C -1.511 174.077 175.510 0.130 0.000 1.046 826 N CA 0.489 53.617 53.050 0.130 0.000 0.715 826 N CB -1.225 37.316 38.487 0.089 0.000 0.895 826 N HN -0.177 nan 8.380 nan 0.000 0.545 827 V N 0.678 120.691 119.914 0.164 0.000 2.735 827 V HA 0.470 4.590 4.120 -0.000 0.000 0.310 827 V C -0.042 176.113 176.094 0.102 0.000 1.061 827 V CA -0.848 61.532 62.300 0.133 0.000 0.913 827 V CB 1.964 33.903 31.823 0.193 0.000 1.005 827 V HN 0.183 nan 8.190 nan 0.000 0.428 828 E N 4.323 124.562 120.200 0.064 0.000 2.109 828 E HA 0.451 4.801 4.350 -0.000 0.000 0.278 828 E C -2.428 174.203 176.600 0.052 0.000 0.954 828 E CA -1.845 54.586 56.400 0.051 0.000 0.779 828 E CB 1.902 31.622 29.700 0.034 0.000 1.093 828 E HN 0.444 nan 8.360 nan 0.000 0.401 829 P HA 0.050 nan 4.420 nan 0.000 0.270 829 P C -0.824 176.504 177.300 0.046 0.000 1.227 829 P CA -0.005 63.127 63.100 0.053 0.000 0.788 829 P CB 0.656 32.384 31.700 0.047 0.000 0.926 830 S N -0.189 115.541 115.700 0.049 0.000 2.540 830 S HA 0.330 4.799 4.470 -0.000 0.000 0.275 830 S C -0.411 174.210 174.600 0.035 0.000 1.123 830 S CA -0.544 57.683 58.200 0.045 0.000 0.907 830 S CB 0.981 64.218 63.200 0.061 0.000 1.081 830 S HN 0.245 nan 8.310 nan 0.000 0.476 831 D N 1.944 122.359 120.400 0.025 0.000 2.379 831 D HA 0.306 4.946 4.640 -0.000 0.000 0.208 831 D C 0.121 176.422 176.300 0.002 0.000 1.065 831 D CA 0.146 54.156 54.000 0.016 0.000 0.848 831 D CB 0.123 40.932 40.800 0.015 0.000 0.949 831 D HN 0.470 nan 8.370 nan 0.000 0.509 832 L N 1.535 122.758 121.223 -0.001 0.000 2.490 832 L HA 0.065 4.405 4.340 -0.000 0.000 0.274 832 L C 0.807 177.644 176.870 -0.054 0.000 1.201 832 L CA 0.092 54.918 54.840 -0.023 0.000 0.869 832 L CB 0.407 42.456 42.059 -0.016 0.000 1.123 832 L HN -0.060 nan 8.230 nan 0.000 0.484 833 K N 4.484 124.844 120.400 -0.066 0.000 2.258 833 K HA 0.260 4.579 4.320 -0.000 0.000 0.284 833 K C -0.208 176.313 176.600 -0.132 0.000 1.051 833 K CA -0.795 55.439 56.287 -0.088 0.000 0.923 833 K CB 0.785 33.240 32.500 -0.074 0.000 1.046 833 K HN 0.388 nan 8.250 nan 0.000 0.474 834 I N 3.083 123.552 120.570 -0.169 0.000 2.683 834 I HA -0.088 4.082 4.170 -0.000 0.000 0.286 834 I C 0.753 176.779 176.117 -0.152 0.000 1.175 834 I CA 0.471 61.632 61.300 -0.232 0.000 1.429 834 I CB 0.860 38.714 38.000 -0.244 0.000 1.371 834 I HN 0.641 nan 8.210 nan 0.000 0.569 835 S N 6.218 121.834 115.700 -0.141 0.000 2.474 835 S HA 0.321 4.790 4.470 -0.000 0.000 0.276 835 S C 1.111 175.669 174.600 -0.069 0.000 1.227 835 S CA -0.638 57.511 58.200 -0.084 0.000 1.050 835 S CB 0.488 63.651 63.200 -0.062 0.000 0.939 835 S HN 0.494 nan 8.310 nan 0.000 0.490 836 L N 3.965 125.158 121.223 -0.049 0.000 2.307 836 L HA 0.219 4.559 4.340 -0.000 0.000 0.211 836 L C 1.760 178.617 176.870 -0.021 0.000 1.099 836 L CA 0.716 55.537 54.840 -0.032 0.000 0.816 836 L CB -0.413 41.637 42.059 -0.015 0.000 0.952 836 L HN 0.748 nan 8.230 nan 0.000 0.455 837 S N 0.644 116.332 115.700 -0.020 0.000 2.497 837 S HA 0.515 4.984 4.470 -0.000 0.000 0.176 837 S C 0.258 174.849 174.600 -0.015 0.000 1.445 837 S CA -0.111 58.081 58.200 -0.013 0.000 1.092 837 S CB -0.799 62.396 63.200 -0.009 0.000 1.216 837 S HN 0.334 nan 8.310 nan 0.000 0.486 838 N N 0.000 118.691 118.700 -0.015 0.000 1.763 838 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 838 N CA 0.000 53.044 53.050 -0.011 0.000 0.885 838 N CB 0.000 38.482 38.487 -0.008 0.000 1.341 838 N HN 0.000 nan 8.380 nan 0.000 0.667