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 2fqg_1_A DATA FIRST_RESID 31 DATA SEQUENCE RPTLPIPDLL TTDARNRIQL TIGAGQSTFG GKTATTWGYN GNLLGPAVKL DATA SEQUENCE QRGKAVTVDI YNQLTEETTL HWHGLEVPGE VDGGPQGIIP PGGKRSVTLN DATA SEQUENCE VDQPAATCWF HPHQHGKTGR QVAMGLAGLV VIEDDEILKL MLPKQWGIDD DATA SEQUENCE VPVIVQDKKF SADGQIDYQL DVMTAAVGWF GDTLLTNGAI YPQHAAPRGW DATA SEQUENCE LRLRLLNGCN ARSLNFATSD NRPLYVIASD GGLLPEPVKV SELPVLMGER DATA SEQUENCE FEVLVEVNDN KPFDLVTLPV SQMGMAIAPF DKPHPVMRIQ PIAISASGAL DATA SEQUENCE PDTLSSLPAL PSLEGLTVRK LQLSMDPMLD MMGMQMLMEK YGDQAMAGMX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XFDFHHANKI NGQAFDMNKP MFAAAKGQYE DATA SEQUENCE RWVISGVGDM MLHPFHIHGT QFRILSENGK PPAAHRAGWK DTVKVEGNVS DATA SEQUENCE EVLVKFNHDA PKEHAYMAHC HLLEHEDTGM MLGFTV 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 31 R HA 0.000 nan 4.340 nan 0.000 0.208 31 R C 0.000 176.231 176.300 -0.116 0.000 0.893 31 R CA 0.000 55.999 56.100 -0.169 0.000 0.921 31 R CB 0.000 30.102 30.300 -0.330 0.000 0.687 32 P HA 0.037 nan 4.420 nan 0.000 0.269 32 P C 0.009 177.274 177.300 -0.058 0.000 1.209 32 P CA -0.052 63.016 63.100 -0.052 0.000 0.776 32 P CB 0.372 32.058 31.700 -0.024 0.000 0.876 33 T N 0.220 114.748 114.554 -0.043 0.000 2.919 33 T HA 0.184 4.533 4.350 -0.001 0.000 0.302 33 T C 0.378 175.077 174.700 -0.001 0.000 1.031 33 T CA -0.891 61.189 62.100 -0.034 0.000 1.127 33 T CB 0.250 69.097 68.868 -0.034 0.000 0.952 33 T HN 0.307 nan 8.240 nan 0.000 0.540 34 L N 4.826 126.064 121.223 0.025 0.000 2.584 34 L HA 0.328 4.667 4.340 -0.001 0.000 0.272 34 L C -2.327 174.565 176.870 0.036 0.000 1.195 34 L CA -1.162 53.702 54.840 0.040 0.000 0.920 34 L CB -0.376 41.716 42.059 0.056 0.000 1.173 34 L HN 0.539 nan 8.230 nan 0.000 0.489 35 P HA 0.213 nan 4.420 nan 0.000 0.271 35 P C -1.033 176.278 177.300 0.019 0.000 1.216 35 P CA -0.044 63.077 63.100 0.036 0.000 0.776 35 P CB 0.560 32.291 31.700 0.051 0.000 0.881 36 I N 4.284 124.872 120.570 0.029 0.000 2.382 36 I HA 0.265 4.434 4.170 -0.001 0.000 0.285 36 I C -2.151 174.047 176.117 0.135 0.000 1.007 36 I CA -2.922 58.380 61.300 0.005 0.000 1.142 36 I CB 0.786 38.752 38.000 -0.055 0.000 1.289 36 I HN 0.141 nan 8.210 nan 0.000 0.453 37 P HA -0.024 nan 4.420 nan 0.000 0.260 37 P C -0.429 177.117 177.300 0.409 0.000 1.172 37 P CA 0.194 63.465 63.100 0.285 0.000 0.760 37 P CB 0.359 32.252 31.700 0.321 0.000 0.773 38 D N 1.984 122.552 120.400 0.279 0.000 2.488 38 D HA -0.014 4.626 4.640 -0.001 0.000 0.238 38 D C 0.148 176.542 176.300 0.156 0.000 1.138 38 D CA 0.252 54.391 54.000 0.232 0.000 0.873 38 D CB 0.370 41.260 40.800 0.150 0.000 1.183 38 D HN 0.149 nan 8.370 nan 0.000 0.458 39 L N 3.960 125.179 121.223 -0.005 0.000 2.282 39 L HA 0.248 4.587 4.340 -0.001 0.000 0.287 39 L C -0.782 175.996 176.870 -0.153 0.000 1.075 39 L CA -0.082 54.571 54.840 -0.312 0.000 0.839 39 L CB 0.285 41.863 42.059 -0.801 0.000 1.219 39 L HN 0.275 nan 8.230 nan 0.000 0.434 40 L N 5.700 126.871 121.223 -0.087 0.000 2.262 40 L HA 0.460 4.799 4.340 -0.001 0.000 0.288 40 L C 0.148 176.987 176.870 -0.052 0.000 1.035 40 L CA -0.255 54.569 54.840 -0.027 0.000 0.820 40 L CB 1.149 43.230 42.059 0.037 0.000 1.204 40 L HN 0.777 nan 8.230 nan 0.000 0.424 41 T N -0.371 114.151 114.554 -0.054 0.000 2.923 41 T HA 0.454 4.803 4.350 -0.001 0.000 0.281 41 T C 0.412 175.086 174.700 -0.044 0.000 0.995 41 T CA -0.575 61.489 62.100 -0.060 0.000 0.985 41 T CB 1.361 70.190 68.868 -0.066 0.000 1.114 41 T HN 0.583 nan 8.240 nan 0.000 0.548 42 T N 0.246 114.769 114.554 -0.051 0.000 2.856 42 T HA 0.357 4.706 4.350 -0.001 0.000 0.306 42 T C 0.021 174.703 174.700 -0.029 0.000 1.062 42 T CA -0.622 61.451 62.100 -0.044 0.000 1.083 42 T CB 0.034 68.870 68.868 -0.054 0.000 0.984 42 T HN 0.859 nan 8.240 nan 0.000 0.542 43 D N 0.659 121.046 120.400 -0.021 0.000 2.539 43 D HA 0.481 5.120 4.640 -0.001 0.000 0.276 43 D C 1.514 177.804 176.300 -0.016 0.000 1.206 43 D CA -0.493 53.499 54.000 -0.013 0.000 1.081 43 D CB -0.022 40.776 40.800 -0.004 0.000 1.142 43 D HN 0.561 nan 8.370 nan 0.000 0.595 44 A N -0.884 121.929 122.820 -0.012 0.000 2.070 44 A HA -0.134 4.185 4.320 -0.001 0.000 0.220 44 A C 1.937 179.512 177.584 -0.015 0.000 1.159 44 A CA 1.115 53.144 52.037 -0.013 0.000 0.656 44 A CB -0.632 18.362 19.000 -0.009 0.000 0.800 44 A HN 0.471 nan 8.150 nan 0.000 0.453 45 R N -1.012 119.479 120.500 -0.015 0.000 2.427 45 R HA 0.123 4.462 4.340 -0.001 0.000 0.262 45 R C -0.263 176.021 176.300 -0.027 0.000 0.943 45 R CA 0.034 56.123 56.100 -0.018 0.000 1.081 45 R CB 0.216 30.509 30.300 -0.012 0.000 1.166 45 R HN 0.433 nan 8.270 nan 0.000 0.534 46 N N 1.155 119.836 118.700 -0.032 0.000 2.776 46 N HA -0.177 4.562 4.740 -0.001 0.000 0.249 46 N C -1.046 174.433 175.510 -0.051 0.000 1.111 46 N CA 0.983 54.006 53.050 -0.045 0.000 0.711 46 N CB -0.738 37.718 38.487 -0.051 0.000 1.065 46 N HN 0.311 nan 8.380 nan 0.000 0.556 47 R N 0.010 120.488 120.500 -0.036 0.000 2.711 47 R HA 0.721 5.061 4.340 -0.001 0.000 0.284 47 R C 0.023 176.311 176.300 -0.020 0.000 0.968 47 R CA -0.640 55.442 56.100 -0.030 0.000 0.924 47 R CB 1.809 32.103 30.300 -0.009 0.000 1.162 47 R HN 0.056 nan 8.270 nan 0.000 0.465 48 I N 1.740 122.300 120.570 -0.018 0.000 2.466 48 I HA 0.171 4.340 4.170 -0.001 0.000 0.289 48 I C -0.469 175.677 176.117 0.049 0.000 1.026 48 I CA -0.660 60.643 61.300 0.004 0.000 1.078 48 I CB 2.277 40.261 38.000 -0.026 0.000 1.249 48 I HN 0.469 nan 8.210 nan 0.000 0.429 49 Q N 7.709 127.564 119.800 0.091 0.000 2.290 49 Q HA 0.609 4.948 4.340 -0.001 0.000 0.259 49 Q C -1.961 174.144 176.000 0.175 0.000 0.941 49 Q CA -0.564 55.345 55.803 0.176 0.000 0.912 49 Q CB 1.493 30.354 28.738 0.206 0.000 1.244 49 Q HN 0.638 nan 8.270 nan 0.000 0.441 50 L N 3.411 124.758 121.223 0.206 0.000 2.341 50 L HA 0.503 4.842 4.340 -0.001 0.000 0.278 50 L C -0.558 176.500 176.870 0.312 0.000 1.005 50 L CA -0.715 54.253 54.840 0.213 0.000 0.818 50 L CB 2.285 44.404 42.059 0.099 0.000 1.259 50 L HN 0.675 nan 8.230 nan 0.000 0.418 51 T N 4.151 118.877 114.554 0.286 0.000 2.779 51 T HA 0.571 4.920 4.350 -0.001 0.000 0.280 51 T C -0.092 174.737 174.700 0.215 0.000 0.987 51 T CA -0.305 61.943 62.100 0.246 0.000 0.966 51 T CB 1.072 70.012 68.868 0.120 0.000 0.933 51 T HN 0.270 nan 8.240 nan 0.000 0.442 52 I N 2.862 123.527 120.570 0.159 0.000 2.315 52 I HA 0.699 4.869 4.170 -0.001 0.000 0.291 52 I C 0.788 176.834 176.117 -0.117 0.000 1.006 52 I CA -0.424 60.880 61.300 0.008 0.000 1.265 52 I CB 1.188 39.190 38.000 0.004 0.000 1.387 52 I HN 0.728 nan 8.210 nan 0.000 0.475 53 G N 3.902 112.590 108.800 -0.187 0.000 2.646 53 G HA2 0.704 4.663 3.960 -0.001 0.000 0.291 53 G HA3 0.704 4.663 3.960 -0.001 0.000 0.291 53 G C -1.815 172.953 174.900 -0.219 0.000 1.445 53 G CA -0.640 44.337 45.100 -0.205 0.000 0.814 53 G HN 0.742 nan 8.290 nan 0.000 0.495 54 A N -0.857 121.844 122.820 -0.197 0.000 2.303 54 A HA 0.995 5.315 4.320 -0.001 0.000 0.317 54 A C 0.659 178.278 177.584 0.057 0.000 1.149 54 A CA 0.427 52.443 52.037 -0.034 0.000 0.822 54 A CB 1.419 20.401 19.000 -0.028 0.000 1.131 54 A HN 2.092 nan 8.150 nan 0.000 0.493 55 G N -0.082 108.799 108.800 0.134 0.000 2.793 55 G HA2 0.558 4.517 3.960 -0.001 0.000 0.248 55 G HA3 0.558 4.517 3.960 -0.001 0.000 0.248 55 G C -1.484 173.485 174.900 0.116 0.000 1.198 55 G CA -0.310 44.847 45.100 0.096 0.000 0.865 55 G HN 0.675 nan 8.290 nan 0.000 0.534 56 Q N -0.277 119.570 119.800 0.078 0.000 2.359 56 Q HA 0.684 5.023 4.340 -0.001 0.000 0.274 56 Q C -1.346 174.660 176.000 0.011 0.000 1.074 56 Q CA -0.478 55.361 55.803 0.060 0.000 0.810 56 Q CB 2.393 31.152 28.738 0.035 0.000 1.342 56 Q HN 0.444 nan 8.270 nan 0.000 0.427 57 S N 0.140 115.822 115.700 -0.030 0.000 2.632 57 S HA 0.659 5.128 4.470 -0.001 0.000 0.289 57 S C -0.914 173.456 174.600 -0.384 0.000 1.115 57 S CA -0.526 57.531 58.200 -0.239 0.000 0.889 57 S CB 2.075 65.071 63.200 -0.341 0.000 1.116 57 S HN 0.462 nan 8.310 nan 0.000 0.486 58 T N 2.353 116.573 114.554 -0.557 0.000 2.786 58 T HA 0.616 4.965 4.350 -0.001 0.000 0.283 58 T C -1.360 172.928 174.700 -0.687 0.000 0.992 58 T CA -0.219 61.613 62.100 -0.448 0.000 0.954 58 T CB 0.046 68.782 68.868 -0.220 0.000 0.934 58 T HN 0.346 nan 8.240 nan 0.000 0.440 59 F N 0.885 120.753 119.950 -0.136 0.000 2.467 59 F HA 0.540 5.067 4.527 0.000 0.000 0.336 59 F C 1.283 176.966 175.800 -0.195 0.000 1.123 59 F CA -1.028 56.858 58.000 -0.190 0.000 0.964 59 F CB 1.363 40.120 39.000 -0.405 0.000 1.136 59 F HN 0.775 nan 8.300 nan 0.000 0.447 60 G N 1.919 110.745 108.800 0.045 0.000 2.424 60 G HA2 0.102 4.062 3.960 -0.001 0.000 0.290 60 G HA3 0.102 4.062 3.960 -0.001 0.000 0.290 60 G C 1.115 176.004 174.900 -0.018 0.000 0.912 60 G CA 0.963 46.069 45.100 0.010 0.000 1.142 60 G HN 1.827 nan 8.290 nan 0.000 0.501 61 G N -1.231 107.551 108.800 -0.030 0.000 2.254 61 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.225 61 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.225 61 G C 0.302 175.184 174.900 -0.031 0.000 1.003 61 G CA 0.613 45.696 45.100 -0.028 0.000 0.622 61 G HN 1.091 nan 8.290 nan 0.000 0.507 62 K N 2.087 122.464 120.400 -0.038 0.000 2.358 62 K HA 0.525 4.844 4.320 -0.001 0.000 0.260 62 K C 0.175 176.768 176.600 -0.013 0.000 0.956 62 K CA -0.070 56.205 56.287 -0.021 0.000 0.834 62 K CB 1.879 34.370 32.500 -0.015 0.000 1.102 62 K HN 0.353 nan 8.250 nan 0.000 0.431 63 T N -0.473 114.081 114.554 -0.000 0.000 2.919 63 T HA 0.450 4.799 4.350 -0.001 0.000 0.302 63 T C 0.185 174.942 174.700 0.095 0.000 1.031 63 T CA -0.789 61.317 62.100 0.011 0.000 1.127 63 T CB 1.170 70.042 68.868 0.007 0.000 0.952 63 T HN 0.590 nan 8.240 nan 0.000 0.540 64 A N 2.467 125.385 122.820 0.162 0.000 2.401 64 A HA 0.671 4.990 4.320 -0.001 0.000 0.310 64 A C 0.366 178.077 177.584 0.211 0.000 1.075 64 A CA -1.011 51.185 52.037 0.265 0.000 0.746 64 A CB 1.131 20.447 19.000 0.527 0.000 1.277 64 A HN 0.852 nan 8.150 nan 0.000 0.425 65 T N 2.712 117.374 114.554 0.180 0.000 2.817 65 T HA 0.449 4.798 4.350 -0.001 0.000 0.295 65 T C 0.613 175.423 174.700 0.184 0.000 0.958 65 T CA 0.918 63.121 62.100 0.172 0.000 1.157 65 T CB -0.233 68.730 68.868 0.157 0.000 0.898 65 T HN 0.962 nan 8.240 nan 0.000 0.536 66 T N 0.209 114.900 114.554 0.229 0.000 2.916 66 T HA 0.709 5.058 4.350 -0.001 0.000 0.292 66 T C -1.444 173.501 174.700 0.409 0.000 1.064 66 T CA -1.056 61.183 62.100 0.231 0.000 1.011 66 T CB 1.343 70.369 68.868 0.263 0.000 1.152 66 T HN 0.466 nan 8.240 nan 0.000 0.510 67 W N -0.056 121.249 121.300 0.010 0.000 2.666 67 W HA 0.795 5.454 4.660 -0.000 0.000 0.334 67 W C 0.287 176.750 176.519 -0.093 0.000 1.051 67 W CA -0.914 56.395 57.345 -0.059 0.000 1.224 67 W CB 1.981 31.378 29.460 -0.106 0.000 1.405 67 W HN 1.239 nan 8.180 nan 0.000 0.513 68 G N 0.977 109.808 108.800 0.051 0.000 2.692 68 G HA2 0.601 4.560 3.960 -0.001 0.000 0.291 68 G HA3 0.601 4.560 3.960 -0.001 0.000 0.291 68 G C -2.506 172.303 174.900 -0.152 0.000 1.423 68 G CA -0.790 44.289 45.100 -0.035 0.000 0.843 68 G HN 0.152 nan 8.290 nan 0.000 0.486 69 Y N 0.840 121.228 120.300 0.146 0.000 2.326 69 Y HA 0.296 4.845 4.550 -0.002 0.000 0.337 69 Y C 0.844 176.835 175.900 0.152 0.000 1.023 69 Y CA -0.814 57.387 58.100 0.169 0.000 1.143 69 Y CB 1.364 39.987 38.460 0.273 0.000 1.183 69 Y HN 0.519 nan 8.280 nan 0.000 0.485 70 N N 1.395 120.254 118.700 0.265 0.000 2.716 70 N HA -0.170 4.569 4.740 -0.001 0.000 0.250 70 N C -0.041 175.552 175.510 0.139 0.000 1.033 70 N CA 1.322 54.479 53.050 0.179 0.000 0.727 70 N CB -1.001 37.598 38.487 0.187 0.000 0.950 70 N HN 1.111 nan 8.380 nan 0.000 0.541 71 G N -1.416 107.452 108.800 0.114 0.000 2.345 71 G HA2 0.075 4.034 3.960 -0.001 0.000 0.285 71 G HA3 0.075 4.034 3.960 -0.001 0.000 0.285 71 G C 0.151 175.100 174.900 0.081 0.000 1.297 71 G CA -0.247 44.908 45.100 0.091 0.000 0.875 71 G HN 0.047 nan 8.290 nan 0.000 0.506 72 N N -1.038 117.710 118.700 0.080 0.000 2.376 72 N HA 0.159 4.898 4.740 -0.001 0.000 0.177 72 N C 0.155 175.737 175.510 0.121 0.000 1.024 72 N CA 0.913 54.015 53.050 0.087 0.000 0.893 72 N CB 0.411 38.937 38.487 0.065 0.000 0.980 72 N HN 0.450 nan 8.380 nan 0.000 0.439 73 L N 0.035 121.331 121.223 0.122 0.000 2.506 73 L HA 0.304 4.643 4.340 -0.001 0.000 0.257 73 L C -0.117 176.840 176.870 0.144 0.000 0.964 73 L CA -0.406 54.524 54.840 0.150 0.000 0.836 73 L CB 1.188 43.351 42.059 0.174 0.000 1.384 73 L HN -0.005 nan 8.230 nan 0.000 0.410 74 L N 1.458 122.769 121.223 0.146 0.000 6.963 74 L HA -0.101 4.238 4.340 -0.001 0.000 0.053 74 L C 0.548 177.545 176.870 0.212 0.000 1.740 74 L CA 1.449 56.384 54.840 0.157 0.000 1.613 74 L CB -1.608 40.538 42.059 0.144 0.000 2.780 74 L HN 1.035 nan 8.230 nan 0.000 1.092 75 G N -1.856 107.070 108.800 0.210 0.000 2.550 75 G HA2 0.616 4.575 3.960 -0.001 0.000 0.293 75 G HA3 0.616 4.575 3.960 -0.001 0.000 0.293 75 G C -3.138 171.902 174.900 0.233 0.000 1.402 75 G CA -0.126 45.143 45.100 0.281 0.000 0.784 75 G HN 0.422 nan 8.290 nan 0.000 0.482 76 P HA 0.507 nan 4.420 nan 0.000 0.277 76 P C -0.536 176.934 177.300 0.283 0.000 1.271 76 P CA -0.190 63.068 63.100 0.263 0.000 0.795 76 P CB 1.338 33.185 31.700 0.245 0.000 1.101 77 A N 1.010 123.967 122.820 0.230 0.000 2.444 77 A HA 0.366 4.686 4.320 -0.001 0.000 0.332 77 A C -0.002 177.625 177.584 0.072 0.000 1.430 77 A CA -0.635 51.506 52.037 0.173 0.000 0.975 77 A CB -0.571 18.482 19.000 0.088 0.000 1.147 77 A HN 0.296 nan 8.150 nan 0.000 0.524 78 V N 3.259 123.287 119.914 0.190 0.000 2.485 78 V HA 0.040 4.160 4.120 -0.001 0.000 0.287 78 V C 0.674 176.766 176.094 -0.002 0.000 1.022 78 V CA 0.476 62.830 62.300 0.090 0.000 1.067 78 V CB 0.396 32.301 31.823 0.137 0.000 0.967 78 V HN 0.842 nan 8.190 nan 0.000 0.479 79 K N 6.367 126.718 120.400 -0.083 0.000 2.213 79 K HA 0.693 5.012 4.320 -0.001 0.000 0.270 79 K C -1.181 175.357 176.600 -0.104 0.000 1.002 79 K CA -0.465 55.749 56.287 -0.120 0.000 0.868 79 K CB 0.893 33.283 32.500 -0.184 0.000 1.093 79 K HN 0.623 nan 8.250 nan 0.000 0.454 80 L N 2.987 124.151 121.223 -0.098 0.000 2.354 80 L HA 0.438 4.777 4.340 -0.001 0.000 0.264 80 L C -0.927 175.889 176.870 -0.090 0.000 1.008 80 L CA -1.189 53.585 54.840 -0.109 0.000 0.819 80 L CB 2.292 44.270 42.059 -0.134 0.000 1.339 80 L HN 0.653 nan 8.230 nan 0.000 0.420 81 Q N 1.900 121.647 119.800 -0.088 0.000 2.331 81 Q HA 0.324 4.663 4.340 -0.001 0.000 0.267 81 Q C -0.538 175.419 176.000 -0.072 0.000 1.006 81 Q CA -0.640 55.121 55.803 -0.070 0.000 0.818 81 Q CB 1.727 30.429 28.738 -0.059 0.000 1.276 81 Q HN 0.420 nan 8.270 nan 0.000 0.450 82 R N 2.535 122.998 120.500 -0.061 0.000 2.486 82 R HA 0.197 4.536 4.340 -0.001 0.000 0.303 82 R C 0.388 176.657 176.300 -0.051 0.000 0.958 82 R CA 1.771 57.836 56.100 -0.059 0.000 1.077 82 R CB -0.452 29.819 30.300 -0.049 0.000 0.921 82 R HN 0.980 nan 8.270 nan 0.000 0.406 83 G N 3.322 112.089 108.800 -0.055 0.000 2.211 83 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.201 83 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.201 83 G C -0.415 174.454 174.900 -0.051 0.000 0.997 83 G CA -0.149 44.924 45.100 -0.044 0.000 0.652 83 G HN 0.554 nan 8.290 nan 0.000 0.500 84 K N 0.877 121.237 120.400 -0.066 0.000 2.244 84 K HA 0.727 5.046 4.320 -0.001 0.000 0.260 84 K C 0.325 176.869 176.600 -0.094 0.000 0.951 84 K CA -0.077 56.167 56.287 -0.072 0.000 0.826 84 K CB 2.190 34.648 32.500 -0.069 0.000 1.108 84 K HN 0.459 nan 8.250 nan 0.000 0.433 85 A N 2.125 124.892 122.820 -0.090 0.000 2.425 85 A HA 0.419 4.738 4.320 -0.001 0.000 0.249 85 A C -0.030 177.482 177.584 -0.119 0.000 1.084 85 A CA -0.387 51.584 52.037 -0.109 0.000 0.781 85 A CB 0.282 19.228 19.000 -0.090 0.000 1.019 85 A HN 0.581 nan 8.150 nan 0.000 0.490 86 V N -0.133 119.688 119.914 -0.155 0.000 2.971 86 V HA 0.832 4.951 4.120 -0.001 0.000 0.309 86 V C -0.382 175.611 176.094 -0.168 0.000 1.130 86 V CA -0.439 61.770 62.300 -0.151 0.000 0.964 86 V CB 1.763 33.484 31.823 -0.170 0.000 1.029 86 V HN 0.806 nan 8.190 nan 0.000 0.427 87 T N 3.637 118.113 114.554 -0.130 0.000 2.771 87 T HA 0.643 4.992 4.350 -0.001 0.000 0.281 87 T C -0.328 174.306 174.700 -0.111 0.000 0.982 87 T CA -0.335 61.691 62.100 -0.124 0.000 0.978 87 T CB 1.360 70.175 68.868 -0.088 0.000 0.930 87 T HN 0.793 nan 8.240 nan 0.000 0.447 88 V N 4.008 123.849 119.914 -0.121 0.000 2.370 88 V HA 0.300 4.419 4.120 -0.001 0.000 0.279 88 V C -0.134 175.931 176.094 -0.050 0.000 1.029 88 V CA -0.896 61.365 62.300 -0.064 0.000 0.870 88 V CB 1.343 33.153 31.823 -0.022 0.000 0.984 88 V HN 0.812 nan 8.190 nan 0.000 0.451 89 D N 5.294 125.670 120.400 -0.039 0.000 2.317 89 D HA 0.476 5.115 4.640 -0.001 0.000 0.234 89 D C -0.372 175.810 176.300 -0.196 0.000 1.112 89 D CA 0.058 53.973 54.000 -0.141 0.000 0.840 89 D CB 2.054 42.812 40.800 -0.071 0.000 1.078 89 D HN 0.356 nan 8.370 nan 0.000 0.486 90 I N 3.005 123.393 120.570 -0.303 0.000 2.354 90 I HA 0.163 4.332 4.170 -0.001 0.000 0.286 90 I C -0.714 175.218 176.117 -0.310 0.000 1.007 90 I CA -0.810 60.388 61.300 -0.171 0.000 1.167 90 I CB 0.722 38.689 38.000 -0.055 0.000 1.320 90 I HN 0.153 nan 8.210 nan 0.000 0.458 91 Y N 4.525 124.850 120.300 0.041 0.000 2.385 91 Y HA 0.270 4.819 4.550 -0.002 0.000 0.341 91 Y C 0.542 176.451 175.900 0.016 0.000 0.965 91 Y CA -0.747 57.367 58.100 0.024 0.000 1.180 91 Y CB 0.478 38.950 38.460 0.019 0.000 1.139 91 Y HN 0.469 nan 8.280 nan 0.000 0.502 92 N N 3.400 122.155 118.700 0.091 0.000 2.402 92 N HA 0.030 4.769 4.740 -0.001 0.000 0.252 92 N C 0.060 175.576 175.510 0.010 0.000 1.118 92 N CA 0.106 53.175 53.050 0.032 0.000 0.945 92 N CB 0.626 39.110 38.487 -0.004 0.000 1.147 92 N HN 0.572 nan 8.380 nan 0.000 0.495 93 Q N 2.875 122.659 119.800 -0.027 0.000 2.172 93 Q HA 0.253 4.593 4.340 -0.001 0.000 0.217 93 Q C -0.020 175.892 176.000 -0.146 0.000 0.832 93 Q CA -0.220 55.550 55.803 -0.055 0.000 1.010 93 Q CB 0.431 29.151 28.738 -0.029 0.000 1.133 93 Q HN 0.619 nan 8.270 nan 0.000 0.489 94 L N 0.337 121.427 121.223 -0.222 0.000 2.468 94 L HA 0.192 4.532 4.340 -0.001 0.000 0.254 94 L C 1.528 178.290 176.870 -0.181 0.000 1.171 94 L CA 0.094 54.738 54.840 -0.326 0.000 0.809 94 L CB 0.529 42.272 42.059 -0.527 0.000 1.155 94 L HN 0.039 nan 8.230 nan 0.000 0.473 95 T N -3.444 111.016 114.554 -0.156 0.000 3.122 95 T HA 0.136 4.485 4.350 -0.001 0.000 0.250 95 T C 0.123 174.793 174.700 -0.051 0.000 1.067 95 T CA -0.390 61.667 62.100 -0.072 0.000 0.966 95 T CB -0.346 68.502 68.868 -0.034 0.000 1.002 95 T HN 0.698 nan 8.240 nan 0.000 0.542 96 E N 0.305 120.454 120.200 -0.085 0.000 2.312 96 E HA 0.454 4.804 4.350 -0.001 0.000 0.267 96 E C -1.126 175.451 176.600 -0.037 0.000 0.894 96 E CA -1.055 55.328 56.400 -0.028 0.000 0.773 96 E CB 1.400 31.124 29.700 0.040 0.000 1.241 96 E HN 0.197 nan 8.360 nan 0.000 0.432 97 E N 0.581 120.785 120.200 0.006 0.000 2.467 97 E HA 0.061 4.410 4.350 -0.001 0.000 0.264 97 E C -0.498 176.121 176.600 0.031 0.000 1.020 97 E CA 0.881 57.292 56.400 0.019 0.000 0.945 97 E CB 1.011 30.735 29.700 0.039 0.000 0.942 97 E HN 0.476 nan 8.360 nan 0.000 0.449 98 T N 0.430 115.006 114.554 0.036 0.000 2.762 98 T HA 0.465 4.814 4.350 -0.001 0.000 0.301 98 T C -1.243 173.504 174.700 0.078 0.000 1.299 98 T CA -0.374 61.767 62.100 0.068 0.000 1.005 98 T CB 1.715 70.614 68.868 0.052 0.000 1.377 98 T HN 0.588 nan 8.240 nan 0.000 0.504 99 T N 0.042 114.659 114.554 0.105 0.000 2.901 99 T HA 0.768 5.117 4.350 -0.001 0.000 0.293 99 T C -1.440 173.314 174.700 0.091 0.000 1.084 99 T CA -0.807 61.351 62.100 0.097 0.000 1.008 99 T CB 1.516 70.455 68.868 0.118 0.000 1.170 99 T HN 0.567 nan 8.240 nan 0.000 0.509 100 L N 2.345 123.584 121.223 0.026 0.000 2.388 100 L HA 0.518 4.857 4.340 -0.001 0.000 0.267 100 L C -1.145 175.575 176.870 -0.249 0.000 0.995 100 L CA -0.718 54.045 54.840 -0.128 0.000 0.864 100 L CB 0.940 42.855 42.059 -0.239 0.000 1.216 100 L HN 0.968 nan 8.230 nan 0.000 0.430 101 H N 3.400 122.243 119.070 -0.378 0.000 2.489 101 H HA 0.370 4.925 4.556 -0.002 0.000 0.322 101 H C -1.605 173.395 175.328 -0.547 0.000 1.091 101 H CA -0.506 55.335 56.048 -0.344 0.000 1.291 101 H CB 0.806 30.466 29.762 -0.170 0.000 1.436 101 H HN 0.433 nan 8.280 nan 0.000 0.480 102 W N 5.578 126.514 121.300 -0.606 0.000 2.292 102 W HA 0.188 4.848 4.660 -0.001 0.000 0.352 102 W C 0.002 176.074 176.519 -0.745 0.000 0.962 102 W CA -0.768 56.262 57.345 -0.524 0.000 1.496 102 W CB -0.258 29.038 29.460 -0.273 0.000 1.381 102 W HN 0.679 nan 8.180 nan 0.000 0.363 103 H N 1.896 120.470 119.070 -0.827 0.000 2.878 103 H HA 0.427 4.981 4.556 -0.002 0.000 0.290 103 H C 1.359 176.604 175.328 -0.138 0.000 1.065 103 H CA 1.027 56.696 56.048 -0.632 0.000 1.477 103 H CB 0.447 29.731 29.762 -0.797 0.000 1.484 103 H HN 0.763 nan 8.280 nan 0.000 0.504 104 G N 3.866 112.785 108.800 0.198 0.000 2.284 104 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.216 104 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.216 104 G C -0.289 174.645 174.900 0.057 0.000 1.009 104 G CA -0.100 45.119 45.100 0.198 0.000 0.625 104 G HN 0.585 nan 8.290 nan 0.000 0.501 105 L N 2.095 123.337 121.223 0.032 0.000 2.410 105 L HA 0.412 4.751 4.340 -0.001 0.000 0.273 105 L C 0.618 177.462 176.870 -0.043 0.000 1.152 105 L CA 0.347 55.173 54.840 -0.024 0.000 0.855 105 L CB 0.876 42.909 42.059 -0.043 0.000 1.129 105 L HN 0.287 nan 8.230 nan 0.000 0.463 106 E N 3.605 123.754 120.200 -0.085 0.000 1.861 106 E HA 0.348 4.697 4.350 -0.001 0.000 0.263 106 E C -0.746 175.676 176.600 -0.297 0.000 1.137 106 E CA -0.285 56.077 56.400 -0.064 0.000 0.944 106 E CB 0.490 30.195 29.700 0.009 0.000 1.092 106 E HN 0.411 nan 8.360 nan 0.000 0.420 107 V N 0.008 119.789 119.914 -0.223 0.000 3.078 107 V HA 0.622 4.741 4.120 -0.001 0.000 0.311 107 V C -2.797 173.278 176.094 -0.032 0.000 1.138 107 V CA -3.305 58.796 62.300 -0.333 0.000 1.007 107 V CB 1.776 33.477 31.823 -0.203 0.000 1.045 107 V HN 0.206 nan 8.190 nan 0.000 0.432 108 P HA 0.198 nan 4.420 nan 0.000 0.268 108 P C 1.171 178.481 177.300 0.016 0.000 1.208 108 P CA 0.788 63.930 63.100 0.070 0.000 0.777 108 P CB 0.711 32.410 31.700 -0.002 0.000 0.875 109 G N 1.827 110.490 108.800 -0.227 0.000 2.469 109 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.220 109 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.220 109 G C 1.281 176.108 174.900 -0.121 0.000 1.136 109 G CA 0.755 45.674 45.100 -0.302 0.000 0.759 109 G HN 0.479 nan 8.290 nan 0.000 0.562 110 E N -0.445 119.654 120.200 -0.169 0.000 2.114 110 E HA -0.146 4.203 4.350 -0.001 0.000 0.199 110 E C 2.515 178.972 176.600 -0.239 0.000 1.008 110 E CA 1.672 57.877 56.400 -0.326 0.000 0.810 110 E CB -0.125 29.417 29.700 -0.263 0.000 0.739 110 E HN 0.543 nan 8.360 nan 0.000 0.456 111 V N -2.313 117.541 119.914 -0.100 0.000 3.319 111 V HA 0.228 4.347 4.120 -0.001 0.000 0.317 111 V C 0.986 177.151 176.094 0.120 0.000 1.411 111 V CA 0.416 62.697 62.300 -0.031 0.000 1.112 111 V CB 0.572 32.337 31.823 -0.096 0.000 1.031 111 V HN -0.031 nan 8.190 nan 0.000 0.448 112 D N 2.045 122.534 120.400 0.149 0.000 2.249 112 D HA 0.174 4.813 4.640 -0.001 0.000 0.205 112 D C 1.838 178.351 176.300 0.356 0.000 0.962 112 D CA 1.602 55.784 54.000 0.304 0.000 0.860 112 D CB 0.007 41.010 40.800 0.337 0.000 0.955 112 D HN 0.731 nan 8.370 nan 0.000 0.505 113 G N -0.505 108.419 108.800 0.208 0.000 2.160 113 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.244 113 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.244 113 G C 0.692 175.654 174.900 0.104 0.000 1.022 113 G CA 0.323 45.518 45.100 0.157 0.000 0.741 113 G HN 0.653 nan 8.290 nan 0.000 0.508 114 G N 0.092 108.896 108.800 0.008 0.000 2.631 114 G HA2 0.528 4.487 3.960 -0.001 0.000 0.271 114 G HA3 0.528 4.487 3.960 -0.001 0.000 0.271 114 G C -0.109 174.749 174.900 -0.069 0.000 1.302 114 G CA -0.015 44.953 45.100 -0.221 0.000 1.002 114 G HN 0.152 nan 8.290 nan 0.000 0.519 115 P HA -0.109 nan 4.420 nan 0.000 0.223 115 P C 0.998 178.348 177.300 0.082 0.000 1.144 115 P CA 1.203 64.350 63.100 0.077 0.000 0.783 115 P CB 0.205 32.008 31.700 0.172 0.000 0.771 116 Q N -0.871 118.957 119.800 0.047 0.000 2.360 116 Q HA 0.172 4.512 4.340 -0.001 0.000 0.202 116 Q C 1.518 177.570 176.000 0.087 0.000 0.915 116 Q CA 0.243 56.058 55.803 0.020 0.000 0.943 116 Q CB -0.020 28.671 28.738 -0.078 0.000 1.064 116 Q HN 0.192 nan 8.270 nan 0.000 0.511 117 G N 0.884 109.753 108.800 0.114 0.000 4.084 117 G HA2 0.191 4.150 3.960 -0.001 0.000 0.293 117 G HA3 0.191 4.150 3.960 -0.001 0.000 0.293 117 G C 0.108 175.058 174.900 0.083 0.000 1.303 117 G CA -0.451 44.724 45.100 0.126 0.000 1.289 117 G HN 0.083 nan 8.290 nan 0.000 0.609 118 I N 1.618 122.231 120.570 0.071 0.000 2.996 118 I HA -0.088 4.081 4.170 -0.001 0.000 0.310 118 I C 0.533 176.673 176.117 0.037 0.000 1.225 118 I CA 0.411 61.742 61.300 0.052 0.000 1.442 118 I CB -0.234 37.789 38.000 0.038 0.000 1.334 118 I HN 0.170 nan 8.210 nan 0.000 0.550 119 I N 8.601 129.190 120.570 0.031 0.000 2.328 119 I HA 0.280 4.449 4.170 -0.001 0.000 0.287 119 I C -2.241 173.880 176.117 0.008 0.000 1.012 119 I CA -1.937 59.370 61.300 0.012 0.000 1.195 119 I CB 1.325 39.330 38.000 0.008 0.000 1.350 119 I HN 0.292 nan 8.210 nan 0.000 0.464 120 P HA 0.189 nan 4.420 nan 0.000 0.274 120 P C -2.504 174.792 177.300 -0.006 0.000 1.231 120 P CA -1.659 61.441 63.100 0.001 0.000 0.790 120 P CB -0.212 31.489 31.700 0.001 0.000 0.951 121 P HA -0.005 nan 4.420 nan 0.000 0.262 121 P C 0.935 178.228 177.300 -0.012 0.000 1.199 121 P CA 1.166 64.250 63.100 -0.027 0.000 0.763 121 P CB -0.098 31.582 31.700 -0.033 0.000 0.790 122 G N 2.094 110.890 108.800 -0.006 0.000 2.217 122 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.246 122 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.246 122 G C 0.478 175.399 174.900 0.036 0.000 0.990 122 G CA -0.125 44.983 45.100 0.014 0.000 0.627 122 G HN 0.885 nan 8.290 nan 0.000 0.522 123 G N -0.420 108.394 108.800 0.024 0.000 2.502 123 G HA2 0.595 4.554 3.960 -0.001 0.000 0.305 123 G HA3 0.595 4.554 3.960 -0.001 0.000 0.305 123 G C -0.431 174.473 174.900 0.005 0.000 1.190 123 G CA 0.145 45.255 45.100 0.017 0.000 0.933 123 G HN 0.520 nan 8.290 nan 0.000 0.503 124 K N 0.203 120.577 120.400 -0.043 0.000 2.397 124 K HA 0.486 4.805 4.320 -0.001 0.000 0.253 124 K C -0.853 175.649 176.600 -0.163 0.000 0.932 124 K CA -0.811 55.368 56.287 -0.180 0.000 0.795 124 K CB 1.242 33.621 32.500 -0.201 0.000 1.159 124 K HN 0.361 nan 8.250 nan 0.000 0.424 125 R N 1.538 121.922 120.500 -0.193 0.000 2.686 125 R HA 0.425 4.764 4.340 -0.001 0.000 0.286 125 R C -1.093 175.118 176.300 -0.148 0.000 0.969 125 R CA -0.892 55.130 56.100 -0.130 0.000 0.898 125 R CB 2.159 32.416 30.300 -0.071 0.000 1.183 125 R HN 0.631 nan 8.270 nan 0.000 0.456 126 S N 0.873 116.505 115.700 -0.113 0.000 2.482 126 S HA 0.604 5.073 4.470 -0.001 0.000 0.303 126 S C -0.367 174.184 174.600 -0.081 0.000 1.091 126 S CA -0.822 57.316 58.200 -0.103 0.000 1.057 126 S CB 1.953 65.093 63.200 -0.101 0.000 1.031 126 S HN 0.409 nan 8.310 nan 0.000 0.485 127 V N 0.317 120.184 119.914 -0.077 0.000 2.656 127 V HA 0.700 4.819 4.120 -0.001 0.000 0.307 127 V C -0.325 175.682 176.094 -0.145 0.000 1.051 127 V CA -0.614 61.629 62.300 -0.095 0.000 0.893 127 V CB 1.508 33.301 31.823 -0.050 0.000 0.999 127 V HN 0.684 nan 8.190 nan 0.000 0.426 128 T N 6.736 121.199 114.554 -0.151 0.000 2.727 128 T HA 0.547 4.896 4.350 -0.001 0.000 0.298 128 T C -0.104 174.460 174.700 -0.227 0.000 0.942 128 T CA -0.030 61.968 62.100 -0.170 0.000 0.997 128 T CB 0.212 69.004 68.868 -0.127 0.000 0.917 128 T HN 0.607 nan 8.240 nan 0.000 0.487 129 L N 4.464 125.507 121.223 -0.299 0.000 2.255 129 L HA 0.420 4.760 4.340 -0.001 0.000 0.289 129 L C 0.485 177.193 176.870 -0.270 0.000 1.046 129 L CA -0.821 53.798 54.840 -0.368 0.000 0.816 129 L CB 0.477 42.189 42.059 -0.578 0.000 1.197 129 L HN 0.465 nan 8.230 nan 0.000 0.427 130 N N 3.298 121.862 118.700 -0.226 0.000 2.589 130 N HA 0.201 4.940 4.740 -0.001 0.000 0.232 130 N C -0.781 174.632 175.510 -0.161 0.000 1.015 130 N CA -0.373 52.579 53.050 -0.163 0.000 0.931 130 N CB 1.008 39.429 38.487 -0.109 0.000 1.150 130 N HN 0.244 nan 8.380 nan 0.000 0.512 131 V N 2.795 122.615 119.914 -0.157 0.000 2.439 131 V HA 0.150 4.269 4.120 -0.001 0.000 0.271 131 V C 0.245 176.282 176.094 -0.095 0.000 1.040 131 V CA -0.195 62.016 62.300 -0.149 0.000 1.002 131 V CB 0.684 32.419 31.823 -0.147 0.000 1.000 131 V HN 0.571 nan 8.190 nan 0.000 0.477 132 D N 4.723 125.077 120.400 -0.076 0.000 2.552 132 D HA 0.349 4.988 4.640 -0.001 0.000 0.285 132 D C -0.281 175.991 176.300 -0.047 0.000 1.206 132 D CA -0.266 53.714 54.000 -0.032 0.000 0.826 132 D CB 0.494 41.315 40.800 0.035 0.000 1.179 132 D HN 0.792 nan 8.370 nan 0.000 0.508 133 Q N -0.285 119.464 119.800 -0.086 0.000 2.633 133 Q HA 0.561 4.900 4.340 -0.001 0.000 0.289 133 Q C -3.056 172.870 176.000 -0.124 0.000 0.940 133 Q CA -2.007 53.714 55.803 -0.137 0.000 0.785 133 Q CB 1.405 30.039 28.738 -0.174 0.000 1.467 133 Q HN -0.128 nan 8.270 nan 0.000 0.401 134 P HA 0.060 nan 4.420 nan 0.000 0.267 134 P C -0.639 176.624 177.300 -0.061 0.000 1.200 134 P CA 0.388 63.436 63.100 -0.087 0.000 0.772 134 P CB 0.323 31.970 31.700 -0.089 0.000 0.855 135 A N 2.064 124.871 122.820 -0.022 0.000 2.598 135 A HA 0.358 4.677 4.320 -0.001 0.000 0.239 135 A C 0.472 178.062 177.584 0.009 0.000 1.032 135 A CA 1.277 53.312 52.037 -0.004 0.000 0.760 135 A CB -1.066 17.941 19.000 0.012 0.000 0.946 135 A HN 0.669 nan 8.150 nan 0.000 0.512 136 A N 2.198 125.026 122.820 0.013 0.000 2.597 136 A HA 0.674 4.994 4.320 -0.001 0.000 0.292 136 A C -0.260 177.351 177.584 0.045 0.000 1.057 136 A CA -0.307 51.747 52.037 0.027 0.000 0.674 136 A CB 0.586 19.590 19.000 0.007 0.000 1.278 136 A HN 1.005 nan 8.150 nan 0.000 0.416 137 T N 1.692 116.280 114.554 0.058 0.000 2.811 137 T HA 0.458 4.807 4.350 -0.001 0.000 0.309 137 T C 0.140 174.898 174.700 0.097 0.000 1.005 137 T CA -0.050 62.100 62.100 0.084 0.000 0.955 137 T CB -0.717 68.198 68.868 0.079 0.000 0.970 137 T HN 0.697 nan 8.240 nan 0.000 0.496 138 C N 3.628 123.017 119.300 0.149 0.000 2.551 138 C HA 0.807 5.266 4.460 -0.001 0.000 0.377 138 C C 0.112 175.334 174.990 0.387 0.000 1.622 138 C CA -0.792 58.371 59.018 0.242 0.000 1.980 138 C CB 0.602 28.463 27.740 0.202 0.000 1.946 138 C HN 0.967 nan 8.230 nan 0.000 0.525 139 W N -0.120 121.215 121.300 0.058 0.000 3.003 139 W HA 0.741 5.400 4.660 -0.003 0.000 0.362 139 W C -1.873 174.728 176.519 0.137 0.000 1.213 139 W CA -1.852 55.533 57.345 0.067 0.000 1.157 139 W CB 0.342 29.764 29.460 -0.064 0.000 1.493 139 W HN 0.718 nan 8.180 nan 0.000 0.589 140 F N 0.375 120.262 119.950 -0.105 0.000 2.613 140 F HA 0.812 5.338 4.527 -0.001 0.000 0.310 140 F C -1.015 174.579 175.800 -0.344 0.000 1.085 140 F CA -1.167 56.503 58.000 -0.551 0.000 0.945 140 F CB 1.657 40.132 39.000 -0.875 0.000 1.298 140 F HN 0.733 nan 8.300 nan 0.000 0.455 141 H N -1.283 117.629 119.070 -0.264 0.000 2.969 141 H HA 0.663 5.219 4.556 -0.001 0.000 0.304 141 H C -3.595 171.751 175.328 0.030 0.000 1.400 141 H CA -2.139 53.861 56.048 -0.079 0.000 1.182 141 H CB 0.904 30.520 29.762 -0.242 0.000 1.865 141 H HN 0.396 nan 8.280 nan 0.000 0.512 142 P HA 0.154 nan 4.420 nan 0.000 0.272 142 P C -0.170 177.243 177.300 0.188 0.000 1.240 142 P CA 0.039 63.266 63.100 0.212 0.000 0.791 142 P CB 0.454 32.277 31.700 0.205 0.000 0.978 143 H N -0.731 118.399 119.070 0.100 0.000 2.985 143 H HA 0.128 4.683 4.556 -0.002 0.000 0.246 143 H C -0.044 175.302 175.328 0.030 0.000 1.181 143 H CA -0.298 55.778 56.048 0.047 0.000 0.972 143 H CB 0.331 30.088 29.762 -0.010 0.000 2.016 143 H HN 0.332 nan 8.280 nan 0.000 0.672 144 Q N 1.631 121.528 119.800 0.161 0.000 2.485 144 Q HA -0.155 4.184 4.340 -0.001 0.000 0.348 144 Q C -0.258 175.825 176.000 0.138 0.000 1.097 144 Q CA 0.616 56.503 55.803 0.141 0.000 1.079 144 Q CB -0.179 28.626 28.738 0.112 0.000 1.108 144 Q HN 0.485 nan 8.270 nan 0.000 0.400 145 H N 3.152 122.281 119.070 0.098 0.000 3.046 145 H HA 0.272 4.828 4.556 -0.001 0.000 0.303 145 H C 1.314 176.696 175.328 0.090 0.000 1.002 145 H CA 1.617 57.734 56.048 0.116 0.000 1.460 145 H CB 0.073 29.922 29.762 0.145 0.000 1.493 145 H HN 0.859 nan 8.280 nan 0.000 0.559 146 G N 4.474 112.987 108.800 -0.478 0.000 2.189 146 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.267 146 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.267 146 G C 0.766 175.610 174.900 -0.092 0.000 0.975 146 G CA 0.728 45.632 45.100 -0.326 0.000 0.644 146 G HN 0.670 nan 8.290 nan 0.000 0.537 147 K N -0.646 119.718 120.400 -0.059 0.000 2.520 147 K HA 0.202 4.521 4.320 -0.001 0.000 0.206 147 K C 1.716 178.262 176.600 -0.089 0.000 1.122 147 K CA 0.472 56.733 56.287 -0.043 0.000 1.045 147 K CB 0.491 32.995 32.500 0.006 0.000 0.932 147 K HN 0.178 nan 8.250 nan 0.000 0.571 148 T N 0.969 115.469 114.554 -0.090 0.000 2.788 148 T HA -0.127 4.222 4.350 -0.001 0.000 0.268 148 T C 1.932 176.527 174.700 -0.176 0.000 1.044 148 T CA 1.926 63.956 62.100 -0.116 0.000 1.139 148 T CB -0.174 68.580 68.868 -0.189 0.000 0.867 148 T HN 0.501 nan 8.240 nan 0.000 0.454 149 G N 1.305 109.996 108.800 -0.181 0.000 2.402 149 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.216 149 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.216 149 G C 1.549 176.010 174.900 -0.731 0.000 1.162 149 G CA 0.908 45.873 45.100 -0.224 0.000 0.777 149 G HN 0.481 nan 8.290 nan 0.000 0.539 150 R N 0.225 120.106 120.500 -1.032 0.000 2.081 150 R HA -0.044 4.295 4.340 -0.001 0.000 0.235 150 R C 2.568 178.337 176.300 -0.885 0.000 1.131 150 R CA 1.695 56.877 56.100 -1.530 0.000 0.960 150 R CB -0.373 29.358 30.300 -0.947 0.000 0.856 150 R HN 0.411 nan 8.270 nan 0.000 0.436 151 Q N -0.029 119.485 119.800 -0.477 0.000 2.119 151 Q HA -0.103 4.236 4.340 -0.001 0.000 0.201 151 Q C 2.217 178.117 176.000 -0.167 0.000 0.972 151 Q CA 1.639 57.303 55.803 -0.232 0.000 0.847 151 Q CB 0.094 28.883 28.738 0.086 0.000 0.903 151 Q HN 0.251 nan 8.270 nan 0.000 0.433 152 V N 1.184 120.997 119.914 -0.169 0.000 2.307 152 V HA -0.256 3.863 4.120 -0.001 0.000 0.245 152 V C 2.379 178.381 176.094 -0.154 0.000 1.045 152 V CA 1.787 64.039 62.300 -0.081 0.000 1.024 152 V CB -1.058 30.747 31.823 -0.031 0.000 0.651 152 V HN 0.368 nan 8.190 nan 0.000 0.449 153 A N -0.317 122.296 122.820 -0.344 0.000 1.948 153 A HA -0.256 4.063 4.320 -0.001 0.000 0.220 153 A C 2.159 179.507 177.584 -0.393 0.000 1.177 153 A CA 2.106 53.898 52.037 -0.408 0.000 0.636 153 A CB -0.526 17.881 19.000 -0.989 0.000 0.815 153 A HN 0.420 nan 8.150 nan 0.000 0.449 154 M N -1.781 117.487 119.600 -0.554 0.000 2.446 154 M HA 0.004 4.484 4.480 -0.001 0.000 0.263 154 M C 1.627 177.779 176.300 -0.246 0.000 1.066 154 M CA 1.306 56.244 55.300 -0.603 0.000 1.087 154 M CB -1.072 30.707 32.600 -1.369 0.000 1.406 154 M HN 0.827 nan 8.290 nan 0.000 0.459 155 G N -0.439 108.307 108.800 -0.091 0.000 2.273 155 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.162 155 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.162 155 G C 0.038 174.986 174.900 0.081 0.000 1.006 155 G CA -0.600 44.536 45.100 0.060 0.000 0.704 155 G HN 0.343 nan 8.290 nan 0.000 0.487 156 L N 1.637 122.899 121.223 0.065 0.000 2.342 156 L HA 0.623 4.962 4.340 -0.001 0.000 0.285 156 L C 0.502 177.517 176.870 0.243 0.000 1.095 156 L CA 0.438 55.296 54.840 0.030 0.000 0.843 156 L CB 0.834 42.896 42.059 0.006 0.000 1.201 156 L HN 0.507 nan 8.230 nan 0.000 0.445 157 A N 2.907 125.915 122.820 0.314 0.000 2.565 157 A HA 0.772 5.091 4.320 -0.001 0.000 0.298 157 A C -0.549 177.037 177.584 0.003 0.000 1.062 157 A CA -0.068 52.126 52.037 0.262 0.000 0.723 157 A CB 1.384 20.580 19.000 0.326 0.000 1.282 157 A HN 0.654 nan 8.150 nan 0.000 0.400 158 G N -0.094 108.314 108.800 -0.653 0.000 2.949 158 G HA2 0.691 4.650 3.960 -0.001 0.000 0.285 158 G HA3 0.691 4.650 3.960 -0.001 0.000 0.285 158 G C -1.208 173.458 174.900 -0.389 0.000 1.395 158 G CA -0.768 43.883 45.100 -0.748 0.000 0.901 158 G HN 0.779 nan 8.290 nan 0.000 0.519 159 L N -0.555 120.682 121.223 0.023 0.000 2.322 159 L HA 0.696 5.035 4.340 -0.001 0.000 0.269 159 L C -0.674 176.442 176.870 0.410 0.000 1.012 159 L CA -1.152 53.839 54.840 0.252 0.000 0.815 159 L CB 2.379 44.582 42.059 0.239 0.000 1.295 159 L HN 0.190 nan 8.230 nan 0.000 0.438 160 V N 2.304 122.431 119.914 0.356 0.000 2.443 160 V HA 0.292 4.411 4.120 -0.001 0.000 0.293 160 V C -0.275 175.913 176.094 0.156 0.000 1.021 160 V CA -0.632 61.836 62.300 0.280 0.000 0.848 160 V CB 1.888 33.898 31.823 0.312 0.000 0.998 160 V HN 0.371 nan 8.190 nan 0.000 0.424 161 V N 6.720 126.676 119.914 0.070 0.000 2.334 161 V HA 0.410 4.529 4.120 -0.001 0.000 0.267 161 V C 0.129 176.212 176.094 -0.017 0.000 1.040 161 V CA -0.164 62.145 62.300 0.014 0.000 0.866 161 V CB 0.997 32.764 31.823 -0.093 0.000 1.019 161 V HN 0.659 nan 8.190 nan 0.000 0.468 162 I N 4.680 125.248 120.570 -0.002 0.000 2.342 162 I HA 0.420 4.589 4.170 -0.001 0.000 0.291 162 I C 0.356 176.459 176.117 -0.023 0.000 1.010 162 I CA -0.231 61.052 61.300 -0.028 0.000 1.308 162 I CB 1.185 39.165 38.000 -0.034 0.000 1.400 162 I HN 0.563 nan 8.210 nan 0.000 0.488 163 E N 4.576 124.755 120.200 -0.035 0.000 2.212 163 E HA 0.348 4.697 4.350 -0.001 0.000 0.270 163 E C -1.240 175.344 176.600 -0.026 0.000 0.956 163 E CA -0.643 55.742 56.400 -0.024 0.000 0.825 163 E CB 1.830 31.515 29.700 -0.025 0.000 1.167 163 E HN 0.652 nan 8.360 nan 0.000 0.400 164 D N 0.106 120.497 120.400 -0.015 0.000 2.758 164 D HA 0.182 4.821 4.640 -0.001 0.000 0.279 164 D C 0.005 176.301 176.300 -0.007 0.000 1.111 164 D CA -0.469 53.523 54.000 -0.015 0.000 1.109 164 D CB 0.207 40.998 40.800 -0.014 0.000 1.428 164 D HN 0.126 nan 8.370 nan 0.000 0.586 165 D N -0.832 119.565 120.400 -0.005 0.000 2.183 165 D HA -0.075 4.564 4.640 -0.001 0.000 0.203 165 D C 1.503 177.807 176.300 0.006 0.000 0.969 165 D CA 0.884 54.883 54.000 -0.000 0.000 0.842 165 D CB 0.178 40.978 40.800 -0.001 0.000 0.957 165 D HN 0.355 nan 8.370 nan 0.000 0.484 166 E N 0.701 120.907 120.200 0.010 0.000 2.072 166 E HA -0.091 4.258 4.350 -0.001 0.000 0.191 166 E C 2.326 178.935 176.600 0.016 0.000 0.985 166 E CA 0.174 56.584 56.400 0.017 0.000 0.801 166 E CB -0.281 29.434 29.700 0.026 0.000 0.750 166 E HN 0.350 nan 8.360 nan 0.000 0.452 167 I N 0.631 121.211 120.570 0.016 0.000 2.439 167 I HA -0.164 4.005 4.170 -0.001 0.000 0.251 167 I C 1.928 178.054 176.117 0.014 0.000 1.139 167 I CA 0.563 61.874 61.300 0.018 0.000 1.438 167 I CB 0.118 38.131 38.000 0.022 0.000 1.085 167 I HN 0.012 nan 8.210 nan 0.000 0.427 168 L N 0.137 121.367 121.223 0.012 0.000 2.465 168 L HA -0.134 4.205 4.340 -0.001 0.000 0.224 168 L C 2.008 178.884 176.870 0.011 0.000 1.145 168 L CA 0.862 55.710 54.840 0.012 0.000 0.834 168 L CB -0.541 41.524 42.059 0.009 0.000 0.944 168 L HN 0.157 nan 8.230 nan 0.000 0.451 169 K N 0.039 120.444 120.400 0.010 0.000 2.418 169 K HA 0.047 4.366 4.320 -0.001 0.000 0.195 169 K C 1.837 178.440 176.600 0.005 0.000 1.035 169 K CA 0.395 56.687 56.287 0.008 0.000 1.003 169 K CB 0.211 32.716 32.500 0.009 0.000 0.793 169 K HN 0.282 nan 8.250 nan 0.000 0.494 170 L N 0.278 121.503 121.223 0.003 0.000 2.418 170 L HA 0.044 4.384 4.340 -0.001 0.000 0.218 170 L C 0.071 176.934 176.870 -0.012 0.000 1.125 170 L CA 0.075 54.911 54.840 -0.007 0.000 0.835 170 L CB -0.118 41.935 42.059 -0.011 0.000 0.953 170 L HN 0.289 nan 8.230 nan 0.000 0.454 171 M N -0.347 119.253 119.600 -0.000 0.000 2.537 171 M HA -0.196 4.283 4.480 -0.001 0.000 0.205 171 M C -0.186 176.112 176.300 -0.004 0.000 0.450 171 M CA 0.891 56.194 55.300 0.005 0.000 0.553 171 M CB -2.610 29.994 32.600 0.007 0.000 2.046 171 M HN 0.085 nan 8.290 nan 0.000 0.797 172 L N 0.496 121.714 121.223 -0.008 0.000 2.466 172 L HA 0.337 4.676 4.340 -0.001 0.000 0.257 172 L C -1.325 175.558 176.870 0.023 0.000 1.189 172 L CA -1.692 53.135 54.840 -0.021 0.000 0.813 172 L CB 0.270 42.318 42.059 -0.017 0.000 1.118 172 L HN -0.002 nan 8.230 nan 0.000 0.471 173 P HA -0.037 nan 4.420 nan 0.000 0.262 173 P C -0.675 176.676 177.300 0.085 0.000 1.182 173 P CA 0.200 63.347 63.100 0.078 0.000 0.761 173 P CB 0.383 32.142 31.700 0.100 0.000 0.795 174 K N 1.004 121.463 120.400 0.099 0.000 2.585 174 K HA 0.106 4.425 4.320 -0.001 0.000 0.210 174 K C -0.007 176.685 176.600 0.152 0.000 1.294 174 K CA 0.329 56.689 56.287 0.120 0.000 1.025 174 K CB -0.629 31.924 32.500 0.088 0.000 1.076 174 K HN 0.316 nan 8.250 nan 0.000 0.613 175 Q N 1.673 121.555 119.800 0.137 0.000 2.369 175 Q HA 0.149 4.488 4.340 -0.001 0.000 0.247 175 Q C -0.980 175.135 176.000 0.192 0.000 1.083 175 Q CA -0.502 55.394 55.803 0.154 0.000 0.905 175 Q CB 0.515 29.319 28.738 0.111 0.000 1.305 175 Q HN 0.262 nan 8.270 nan 0.000 0.465 176 W N 3.002 124.327 121.300 0.041 0.000 2.347 176 W HA 0.072 4.731 4.660 -0.002 0.000 0.333 176 W C 0.788 177.337 176.519 0.051 0.000 1.383 176 W CA 1.706 59.074 57.345 0.038 0.000 1.283 176 W CB 0.454 29.936 29.460 0.036 0.000 1.253 176 W HN 0.990 nan 8.180 nan 0.000 0.563 177 G N 4.400 112.894 108.800 -0.510 0.000 2.155 177 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.257 177 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.257 177 G C 0.369 175.277 174.900 0.014 0.000 0.983 177 G CA 0.613 45.522 45.100 -0.317 0.000 0.676 177 G HN 0.600 nan 8.290 nan 0.000 0.528 178 I N -0.614 119.979 120.570 0.040 0.000 3.809 178 I HA 0.200 4.370 4.170 -0.001 0.000 0.245 178 I C 1.627 177.853 176.117 0.181 0.000 1.119 178 I CA 0.765 62.148 61.300 0.137 0.000 1.597 178 I CB 0.105 38.155 38.000 0.084 0.000 1.605 178 I HN 0.110 nan 8.210 nan 0.000 0.441 179 D N -1.312 119.147 120.400 0.100 0.000 2.433 179 D HA 0.055 4.694 4.640 -0.001 0.000 0.211 179 D C -0.040 176.285 176.300 0.041 0.000 1.114 179 D CA 0.099 54.156 54.000 0.095 0.000 0.837 179 D CB 0.138 41.005 40.800 0.112 0.000 0.984 179 D HN 0.024 nan 8.370 nan 0.000 0.505 180 D N 1.028 121.420 120.400 -0.014 0.000 2.420 180 D HA 0.249 4.888 4.640 -0.001 0.000 0.255 180 D C -1.220 174.885 176.300 -0.324 0.000 1.185 180 D CA -0.810 53.161 54.000 -0.048 0.000 0.904 180 D CB 1.425 42.298 40.800 0.122 0.000 1.102 180 D HN -0.037 nan 8.370 nan 0.000 0.534 181 V N 3.219 122.903 119.914 -0.384 0.000 2.531 181 V HA 0.764 4.883 4.120 -0.001 0.000 0.301 181 V C -2.821 172.978 176.094 -0.492 0.000 1.034 181 V CA -2.209 59.726 62.300 -0.608 0.000 0.865 181 V CB 2.341 33.745 31.823 -0.698 0.000 0.995 181 V HN 0.277 nan 8.190 nan 0.000 0.424 182 P HA 0.301 nan 4.420 nan 0.000 0.275 182 P C -0.831 176.338 177.300 -0.217 0.000 1.227 182 P CA -0.079 62.862 63.100 -0.264 0.000 0.781 182 P CB 1.599 33.223 31.700 -0.126 0.000 0.906 183 V N 5.188 125.003 119.914 -0.164 0.000 2.385 183 V HA 0.282 4.401 4.120 -0.001 0.000 0.277 183 V C 0.290 176.319 176.094 -0.108 0.000 1.012 183 V CA -0.356 61.857 62.300 -0.145 0.000 0.832 183 V CB 0.862 32.570 31.823 -0.193 0.000 1.028 183 V HN 0.395 nan 8.190 nan 0.000 0.436 184 I N 4.823 125.354 120.570 -0.066 0.000 2.291 184 I HA 0.364 4.533 4.170 -0.001 0.000 0.290 184 I C -0.201 175.910 176.117 -0.010 0.000 1.050 184 I CA -0.468 60.791 61.300 -0.068 0.000 1.245 184 I CB 1.360 39.324 38.000 -0.060 0.000 1.405 184 I HN 0.252 nan 8.210 nan 0.000 0.478 185 V N 6.813 126.733 119.914 0.010 0.000 2.394 185 V HA 0.428 4.547 4.120 -0.001 0.000 0.282 185 V C -0.095 176.007 176.094 0.013 0.000 1.031 185 V CA -0.473 61.870 62.300 0.071 0.000 0.881 185 V CB 1.277 33.224 31.823 0.207 0.000 0.982 185 V HN 0.718 nan 8.190 nan 0.000 0.451 186 Q N 2.663 122.477 119.800 0.022 0.000 2.345 186 Q HA 0.421 4.760 4.340 -0.001 0.000 0.275 186 Q C -1.578 174.411 176.000 -0.017 0.000 1.063 186 Q CA -0.912 54.889 55.803 -0.004 0.000 0.819 186 Q CB 2.941 31.696 28.738 0.028 0.000 1.356 186 Q HN 0.886 nan 8.270 nan 0.000 0.418 187 D N 1.266 121.614 120.400 -0.086 0.000 2.193 187 D HA 0.445 5.085 4.640 -0.001 0.000 0.249 187 D C -0.751 175.433 176.300 -0.193 0.000 1.034 187 D CA -0.416 53.502 54.000 -0.138 0.000 0.902 187 D CB 1.698 42.328 40.800 -0.283 0.000 1.182 187 D HN 0.269 nan 8.370 nan 0.000 0.436 188 K N 0.574 120.825 120.400 -0.248 0.000 2.443 188 K HA 0.418 4.737 4.320 -0.001 0.000 0.251 188 K C -0.695 175.550 176.600 -0.591 0.000 0.972 188 K CA -0.936 55.076 56.287 -0.459 0.000 0.833 188 K CB 2.841 35.037 32.500 -0.506 0.000 1.317 188 K HN 0.311 nan 8.250 nan 0.000 0.441 189 K N 1.846 121.822 120.400 -0.706 0.000 2.221 189 K HA 0.466 4.785 4.320 -0.001 0.000 0.258 189 K C -1.488 174.865 176.600 -0.412 0.000 0.944 189 K CA -0.522 55.505 56.287 -0.434 0.000 0.823 189 K CB 0.756 33.004 32.500 -0.420 0.000 1.113 189 K HN 0.297 nan 8.250 nan 0.000 0.431 190 F N 0.804 120.768 119.950 0.022 0.000 2.532 190 F HA 0.361 4.888 4.527 -0.001 0.000 0.321 190 F C 0.532 176.358 175.800 0.042 0.000 1.089 190 F CA -0.552 57.474 58.000 0.043 0.000 0.926 190 F CB 2.182 41.196 39.000 0.022 0.000 1.168 190 F HN 0.392 nan 8.300 nan 0.000 0.459 191 S N 0.792 116.636 115.700 0.239 0.000 2.634 191 S HA 0.372 4.841 4.470 -0.001 0.000 0.261 191 S C 1.263 175.943 174.600 0.134 0.000 1.271 191 S CA 0.013 58.300 58.200 0.144 0.000 0.985 191 S CB 1.165 64.434 63.200 0.115 0.000 0.968 191 S HN 0.789 nan 8.310 nan 0.000 0.568 192 A N 1.445 124.316 122.820 0.085 0.000 1.940 192 A HA -0.174 4.145 4.320 -0.001 0.000 0.219 192 A C 1.535 179.159 177.584 0.066 0.000 1.176 192 A CA 2.047 54.123 52.037 0.065 0.000 0.631 192 A CB -0.886 18.141 19.000 0.044 0.000 0.814 192 A HN 0.875 nan 8.150 nan 0.000 0.446 193 D N -2.131 118.313 120.400 0.073 0.000 2.378 193 D HA 0.249 4.889 4.640 -0.001 0.000 0.227 193 D C 1.223 177.575 176.300 0.086 0.000 1.012 193 D CA 1.069 55.110 54.000 0.069 0.000 0.905 193 D CB -0.641 40.198 40.800 0.066 0.000 0.895 193 D HN 0.854 nan 8.370 nan 0.000 0.532 194 G N -0.753 108.116 108.800 0.114 0.000 2.195 194 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.246 194 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.246 194 G C 0.203 175.260 174.900 0.262 0.000 0.984 194 G CA -0.081 45.094 45.100 0.126 0.000 0.633 194 G HN 0.348 nan 8.290 nan 0.000 0.525 195 Q N 0.172 120.118 119.800 0.244 0.000 2.394 195 Q HA 0.471 4.810 4.340 -0.001 0.000 0.248 195 Q C 1.125 177.328 176.000 0.337 0.000 0.992 195 Q CA -0.207 55.752 55.803 0.260 0.000 0.888 195 Q CB 0.765 29.591 28.738 0.147 0.000 1.257 195 Q HN 0.545 nan 8.270 nan 0.000 0.462 196 I N 1.589 122.301 120.570 0.237 0.000 2.618 196 I HA -0.129 4.040 4.170 -0.001 0.000 0.284 196 I C 0.570 176.698 176.117 0.018 0.000 1.146 196 I CA 0.294 61.591 61.300 -0.005 0.000 1.425 196 I CB 0.239 38.168 38.000 -0.119 0.000 1.383 196 I HN 0.411 nan 8.210 nan 0.000 0.562 197 D N 6.701 127.139 120.400 0.063 0.000 2.505 197 D HA 0.118 4.757 4.640 -0.001 0.000 0.242 197 D C -0.975 175.429 176.300 0.173 0.000 1.136 197 D CA -0.273 53.789 54.000 0.105 0.000 0.954 197 D CB 0.086 40.948 40.800 0.102 0.000 1.002 197 D HN 0.280 nan 8.370 nan 0.000 0.512 198 Y N 2.791 122.973 120.300 -0.196 0.000 2.361 198 Y HA 0.430 4.980 4.550 0.000 0.000 0.332 198 Y C -0.685 175.023 175.900 -0.320 0.000 1.101 198 Y CA -0.393 57.358 58.100 -0.581 0.000 1.137 198 Y CB 0.985 38.882 38.460 -0.939 0.000 1.207 198 Y HN 0.275 nan 8.280 nan 0.000 0.463 199 Q N 6.270 125.359 119.800 -1.186 0.000 2.320 199 Q HA 0.258 4.597 4.340 -0.001 0.000 0.272 199 Q C -2.391 173.161 176.000 -0.747 0.000 1.023 199 Q CA -1.032 54.383 55.803 -0.647 0.000 0.855 199 Q CB 1.902 30.485 28.738 -0.259 0.000 1.367 199 Q HN 0.772 nan 8.270 nan 0.000 0.406 200 L N 4.138 125.187 121.223 -0.291 0.000 2.302 200 L HA 0.354 4.693 4.340 -0.001 0.000 0.285 200 L C -0.977 175.881 176.870 -0.019 0.000 1.090 200 L CA 0.513 55.314 54.840 -0.066 0.000 0.866 200 L CB -0.073 42.090 42.059 0.174 0.000 1.244 200 L HN 0.779 nan 8.230 nan 0.000 0.435 201 D N 2.230 122.483 120.400 -0.245 0.000 2.758 201 D HA 0.156 4.795 4.640 -0.001 0.000 0.262 201 D C 0.772 176.440 176.300 -1.054 0.000 1.113 201 D CA -0.577 53.113 54.000 -0.517 0.000 1.114 201 D CB 0.563 41.209 40.800 -0.257 0.000 1.363 201 D HN 0.018 nan 8.370 nan 0.000 0.617 202 V N -0.292 119.053 119.914 -0.949 0.000 2.427 202 V HA -0.158 3.961 4.120 -0.001 0.000 0.248 202 V C 2.284 178.187 176.094 -0.318 0.000 1.051 202 V CA 1.992 63.849 62.300 -0.737 0.000 1.048 202 V CB -0.549 31.091 31.823 -0.304 0.000 0.666 202 V HN 0.568 nan 8.190 nan 0.000 0.456 203 M N -0.043 119.431 119.600 -0.209 0.000 2.098 203 M HA -0.144 4.335 4.480 -0.001 0.000 0.262 203 M C 2.325 178.612 176.300 -0.021 0.000 1.072 203 M CA 2.553 57.815 55.300 -0.063 0.000 1.133 203 M CB -0.318 32.270 32.600 -0.020 0.000 1.344 203 M HN 0.597 nan 8.290 nan 0.000 0.414 204 T N -1.530 112.984 114.554 -0.066 0.000 2.951 204 T HA 0.079 4.428 4.350 -0.001 0.000 0.268 204 T C 1.730 176.467 174.700 0.061 0.000 1.073 204 T CA 0.954 63.065 62.100 0.019 0.000 1.134 204 T CB -0.657 68.208 68.868 -0.004 0.000 0.884 204 T HN 0.429 nan 8.240 nan 0.000 0.479 205 A N 1.425 124.229 122.820 -0.028 0.000 2.019 205 A HA 0.394 4.714 4.320 -0.001 0.000 0.219 205 A C 2.687 180.393 177.584 0.203 0.000 1.164 205 A CA 1.646 53.735 52.037 0.087 0.000 0.644 205 A CB -1.133 17.861 19.000 -0.009 0.000 0.805 205 A HN 0.748 nan 8.150 nan 0.000 0.449 206 A N -0.570 122.332 122.820 0.138 0.000 1.861 206 A HA 0.190 4.509 4.320 -0.001 0.000 0.212 206 A C 2.049 179.822 177.584 0.315 0.000 1.199 206 A CA 1.761 53.911 52.037 0.188 0.000 0.613 206 A CB -0.659 18.406 19.000 0.108 0.000 0.846 206 A HN 1.114 nan 8.150 nan 0.000 0.446 207 V N -4.304 115.736 119.914 0.210 0.000 3.645 207 V HA 0.587 4.706 4.120 -0.001 0.000 0.275 207 V C 0.893 177.054 176.094 0.111 0.000 1.356 207 V CA 0.423 62.815 62.300 0.152 0.000 1.051 207 V CB -0.797 31.097 31.823 0.119 0.000 0.828 207 V HN 1.746 nan 8.190 nan 0.000 0.441 208 G N -0.598 108.288 108.800 0.144 0.000 2.619 208 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.686 208 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.686 208 G C -1.139 173.917 174.900 0.261 0.000 1.256 208 G CA -0.323 44.866 45.100 0.148 0.000 0.826 208 G HN 0.963 nan 8.290 nan 0.000 0.619 209 W N 2.041 123.375 121.300 0.055 0.000 2.322 209 W HA 0.721 5.380 4.660 -0.003 0.000 0.307 209 W C 0.104 176.671 176.519 0.080 0.000 1.220 209 W CA -0.742 56.589 57.345 -0.023 0.000 1.210 209 W CB 0.392 29.837 29.460 -0.026 0.000 1.223 209 W HN 0.753 nan 8.180 nan 0.000 0.511 210 F N 4.278 123.824 119.950 -0.673 0.000 2.626 210 F HA 0.952 5.477 4.527 -0.004 0.000 0.311 210 F C -0.098 175.165 175.800 -0.894 0.000 1.088 210 F CA -1.066 56.496 58.000 -0.729 0.000 0.949 210 F CB 0.916 39.636 39.000 -0.468 0.000 1.322 210 F HN 0.517 nan 8.300 nan 0.000 0.461 211 G N 0.102 108.522 108.800 -0.633 0.000 3.135 211 G HA2 0.435 4.394 3.960 -0.001 0.000 0.278 211 G HA3 0.435 4.394 3.960 -0.001 0.000 0.278 211 G C -1.274 173.597 174.900 -0.048 0.000 1.302 211 G CA -0.233 44.586 45.100 -0.469 0.000 0.880 211 G HN 0.806 nan 8.290 nan 0.000 0.574 212 D N -1.426 119.016 120.400 0.070 0.000 2.469 212 D HA 0.160 4.800 4.640 -0.001 0.000 0.213 212 D C 0.285 176.746 176.300 0.270 0.000 1.135 212 D CA 0.126 54.294 54.000 0.280 0.000 0.834 212 D CB 0.490 41.394 40.800 0.173 0.000 1.009 212 D HN 0.167 nan 8.370 nan 0.000 0.507 213 T N 1.229 115.915 114.554 0.219 0.000 2.797 213 T HA 0.471 4.820 4.350 -0.001 0.000 0.279 213 T C -0.719 174.111 174.700 0.217 0.000 0.991 213 T CA -0.622 61.611 62.100 0.220 0.000 0.979 213 T CB 2.029 71.064 68.868 0.278 0.000 0.943 213 T HN -0.033 nan 8.240 nan 0.000 0.444 214 L N 4.231 125.585 121.223 0.218 0.000 2.295 214 L HA 0.618 4.957 4.340 -0.001 0.000 0.285 214 L C -1.114 175.865 176.870 0.181 0.000 1.035 214 L CA -0.477 54.466 54.840 0.172 0.000 0.806 214 L CB 0.710 42.819 42.059 0.083 0.000 1.214 214 L HN 0.567 nan 8.230 nan 0.000 0.426 215 L N 3.842 125.154 121.223 0.149 0.000 2.346 215 L HA 0.657 4.996 4.340 -0.001 0.000 0.274 215 L C -0.426 176.534 176.870 0.150 0.000 1.007 215 L CA -0.569 54.377 54.840 0.176 0.000 0.818 215 L CB 1.960 44.128 42.059 0.182 0.000 1.284 215 L HN 0.491 nan 8.230 nan 0.000 0.424 216 T N 1.252 115.900 114.554 0.157 0.000 2.892 216 T HA 0.238 4.587 4.350 -0.001 0.000 0.311 216 T C 0.029 174.787 174.700 0.096 0.000 1.033 216 T CA -0.514 61.656 62.100 0.118 0.000 0.991 216 T CB 0.675 69.621 68.868 0.130 0.000 0.981 216 T HN 0.622 nan 8.240 nan 0.000 0.457 217 N N 2.151 120.894 118.700 0.071 0.000 2.696 217 N HA -0.250 4.489 4.740 -0.001 0.000 0.249 217 N C 1.244 176.826 175.510 0.121 0.000 1.090 217 N CA 1.889 54.984 53.050 0.075 0.000 0.716 217 N CB -1.297 37.213 38.487 0.039 0.000 1.020 217 N HN 1.271 nan 8.380 nan 0.000 0.548 218 G N -2.802 106.101 108.800 0.172 0.000 2.254 218 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.225 218 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.225 218 G C 0.140 175.229 174.900 0.315 0.000 1.003 218 G CA 0.477 45.736 45.100 0.264 0.000 0.622 218 G HN 1.159 nan 8.290 nan 0.000 0.507 219 A N 0.242 123.190 122.820 0.213 0.000 2.312 219 A HA 0.789 5.108 4.320 -0.001 0.000 0.326 219 A C 0.283 178.001 177.584 0.224 0.000 1.172 219 A CA -0.549 51.604 52.037 0.194 0.000 0.821 219 A CB 0.582 19.647 19.000 0.108 0.000 1.166 219 A HN 0.728 nan 8.150 nan 0.000 0.493 220 I N 2.731 123.444 120.570 0.239 0.000 2.494 220 I HA 0.013 4.182 4.170 -0.001 0.000 0.289 220 I C 0.039 176.311 176.117 0.259 0.000 1.106 220 I CA 0.408 61.854 61.300 0.243 0.000 1.369 220 I CB -0.251 37.881 38.000 0.221 0.000 1.410 220 I HN 0.657 nan 8.210 nan 0.000 0.523 221 Y N 7.514 127.879 120.300 0.109 0.000 2.988 221 Y HA -0.170 4.379 4.550 -0.001 0.000 0.193 221 Y C -2.255 173.674 175.900 0.048 0.000 1.388 221 Y CA -1.005 57.141 58.100 0.076 0.000 0.904 221 Y CB -1.485 37.006 38.460 0.053 0.000 1.297 221 Y HN 0.425 nan 8.280 nan 0.000 0.432 222 P HA 0.190 nan 4.420 nan 0.000 0.277 222 P C -0.860 176.345 177.300 -0.157 0.000 1.271 222 P CA -0.304 62.758 63.100 -0.064 0.000 0.795 222 P CB 1.024 32.734 31.700 0.017 0.000 1.101 223 Q N 0.308 120.020 119.800 -0.147 0.000 2.312 223 Q HA 0.449 4.789 4.340 -0.001 0.000 0.263 223 Q C -1.320 174.648 176.000 -0.053 0.000 0.995 223 Q CA -0.731 54.988 55.803 -0.140 0.000 0.853 223 Q CB 1.294 29.920 28.738 -0.186 0.000 1.300 223 Q HN 0.480 nan 8.270 nan 0.000 0.448 224 H N 1.602 120.593 119.070 -0.131 0.000 2.466 224 H HA 0.608 5.163 4.556 -0.001 0.000 0.338 224 H C -1.382 173.879 175.328 -0.112 0.000 1.091 224 H CA -0.230 55.750 56.048 -0.113 0.000 1.207 224 H CB 1.793 31.488 29.762 -0.112 0.000 1.466 224 H HN 0.841 nan 8.280 nan 0.000 0.493 225 A N 4.108 126.475 122.820 -0.755 0.000 2.310 225 A HA 0.654 4.973 4.320 -0.001 0.000 0.300 225 A C -0.509 176.756 177.584 -0.532 0.000 1.269 225 A CA 0.013 51.751 52.037 -0.497 0.000 0.909 225 A CB -0.442 18.359 19.000 -0.331 0.000 1.144 225 A HN 0.825 nan 8.150 nan 0.000 0.540 226 A N 5.113 127.809 122.820 -0.207 0.000 2.319 226 A HA 0.780 5.099 4.320 -0.001 0.000 0.310 226 A C -2.907 174.678 177.584 0.001 0.000 1.152 226 A CA -1.890 50.136 52.037 -0.018 0.000 0.783 226 A CB 0.783 19.853 19.000 0.116 0.000 1.184 226 A HN 0.549 nan 8.150 nan 0.000 0.474 227 P HA 0.053 nan 4.420 nan 0.000 0.266 227 P C -0.207 177.105 177.300 0.020 0.000 1.195 227 P CA -0.013 63.097 63.100 0.017 0.000 0.768 227 P CB 0.383 32.103 31.700 0.033 0.000 0.838 228 R N 2.224 122.723 120.500 -0.002 0.000 2.678 228 R HA 0.248 4.588 4.340 -0.001 0.000 0.264 228 R C 1.381 177.647 176.300 -0.056 0.000 0.995 228 R CA 1.512 57.594 56.100 -0.030 0.000 1.098 228 R CB -0.956 29.322 30.300 -0.037 0.000 0.949 228 R HN 0.904 nan 8.270 nan 0.000 0.422 229 G N 2.044 110.757 108.800 -0.146 0.000 2.715 229 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.221 229 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.221 229 G C -1.344 173.346 174.900 -0.350 0.000 1.204 229 G CA -0.330 44.614 45.100 -0.261 0.000 1.063 229 G HN 0.574 nan 8.290 nan 0.000 0.586 230 W N 0.334 121.636 121.300 0.004 0.000 2.429 230 W HA 0.696 5.355 4.660 -0.002 0.000 0.314 230 W C -0.046 176.491 176.519 0.029 0.000 1.062 230 W CA -0.800 56.545 57.345 -0.000 0.000 1.211 230 W CB 1.698 31.140 29.460 -0.031 0.000 1.305 230 W HN 0.522 nan 8.180 nan 0.000 0.476 231 L N 4.768 126.196 121.223 0.342 0.000 2.307 231 L HA 0.537 4.876 4.340 -0.001 0.000 0.284 231 L C -0.263 176.726 176.870 0.197 0.000 1.023 231 L CA -1.027 53.949 54.840 0.226 0.000 0.810 231 L CB 1.085 43.266 42.059 0.203 0.000 1.231 231 L HN 0.443 nan 8.230 nan 0.000 0.423 232 R N 5.668 126.231 120.500 0.106 0.000 2.295 232 R HA 0.659 4.998 4.340 -0.001 0.000 0.324 232 R C -1.768 174.523 176.300 -0.015 0.000 0.968 232 R CA -0.584 55.548 56.100 0.053 0.000 0.837 232 R CB 0.711 31.037 30.300 0.043 0.000 1.133 232 R HN 0.774 nan 8.270 nan 0.000 0.450 233 L N 5.192 126.402 121.223 -0.023 0.000 2.341 233 L HA 0.567 4.906 4.340 -0.001 0.000 0.278 233 L C -0.086 176.740 176.870 -0.073 0.000 1.005 233 L CA -0.970 53.814 54.840 -0.094 0.000 0.818 233 L CB 2.079 44.067 42.059 -0.119 0.000 1.259 233 L HN 0.530 nan 8.230 nan 0.000 0.418 234 R N 4.387 124.834 120.500 -0.090 0.000 2.233 234 R HA 0.496 4.835 4.340 -0.001 0.000 0.334 234 R C -1.069 175.169 176.300 -0.104 0.000 1.037 234 R CA -0.531 55.540 56.100 -0.048 0.000 0.920 234 R CB 0.586 30.897 30.300 0.018 0.000 1.137 234 R HN 0.505 nan 8.270 nan 0.000 0.492 235 L N 4.510 125.661 121.223 -0.120 0.000 2.290 235 L HA 0.327 4.666 4.340 -0.001 0.000 0.284 235 L C -0.333 176.460 176.870 -0.128 0.000 1.078 235 L CA -0.790 53.933 54.840 -0.196 0.000 0.815 235 L CB 0.696 42.558 42.059 -0.329 0.000 1.162 235 L HN 0.363 nan 8.230 nan 0.000 0.435 236 L N 4.383 125.505 121.223 -0.167 0.000 2.333 236 L HA 0.438 4.778 4.340 -0.001 0.000 0.280 236 L C -0.258 176.496 176.870 -0.193 0.000 1.004 236 L CA -0.257 54.415 54.840 -0.279 0.000 0.820 236 L CB 1.460 43.239 42.059 -0.467 0.000 1.247 236 L HN 0.438 nan 8.230 nan 0.000 0.416 237 N N 3.429 122.025 118.700 -0.172 0.000 2.415 237 N HA 0.281 5.020 4.740 -0.001 0.000 0.250 237 N C 0.570 175.888 175.510 -0.321 0.000 1.127 237 N CA 0.412 53.380 53.050 -0.137 0.000 0.945 237 N CB 1.133 39.586 38.487 -0.057 0.000 1.196 237 N HN 0.865 nan 8.380 nan 0.000 0.499 238 G N 2.265 110.895 108.800 -0.283 0.000 3.502 238 G HA2 0.081 4.040 3.960 -0.001 0.000 0.267 238 G HA3 0.081 4.040 3.960 -0.001 0.000 0.267 238 G C 0.339 175.193 174.900 -0.077 0.000 1.090 238 G CA -0.215 44.696 45.100 -0.315 0.000 0.795 238 G HN 0.580 nan 8.290 nan 0.000 0.535 239 C N 0.695 119.961 119.300 -0.056 0.000 2.676 239 C HA 0.132 4.591 4.460 -0.001 0.000 0.416 239 C C 1.863 176.903 174.990 0.082 0.000 1.299 239 C CA -0.480 58.540 59.018 0.004 0.000 2.048 239 C CB 0.653 28.353 27.740 -0.066 0.000 2.713 239 C HN 0.486 nan 8.230 nan 0.000 0.624 240 N N 1.157 119.952 118.700 0.159 0.000 2.104 240 N HA -0.092 4.647 4.740 -0.001 0.000 0.190 240 N C 1.308 176.908 175.510 0.150 0.000 1.024 240 N CA 2.016 55.188 53.050 0.203 0.000 0.853 240 N CB -0.072 38.629 38.487 0.357 0.000 1.008 240 N HN 0.861 nan 8.380 nan 0.000 0.424 241 A N -1.325 121.548 122.820 0.089 0.000 2.480 241 A HA 0.197 4.516 4.320 -0.001 0.000 0.191 241 A C 0.639 178.175 177.584 -0.080 0.000 1.503 241 A CA -0.395 51.652 52.037 0.016 0.000 1.110 241 A CB 0.346 19.377 19.000 0.051 0.000 1.401 241 A HN 0.099 nan 8.150 nan 0.000 0.533 242 R N 2.069 122.496 120.500 -0.121 0.000 2.216 242 R HA 0.407 4.746 4.340 -0.001 0.000 0.332 242 R C -0.063 176.118 176.300 -0.198 0.000 1.056 242 R CA 0.539 56.498 56.100 -0.234 0.000 0.901 242 R CB 0.511 30.604 30.300 -0.344 0.000 1.039 242 R HN 0.419 nan 8.270 nan 0.000 0.456 243 S N 4.503 120.089 115.700 -0.191 0.000 2.592 243 S HA 0.359 4.828 4.470 -0.001 0.000 0.271 243 S C 0.127 174.592 174.600 -0.225 0.000 1.326 243 S CA -0.672 57.432 58.200 -0.160 0.000 1.024 243 S CB 1.059 64.193 63.200 -0.110 0.000 0.921 243 S HN 0.525 nan 8.310 nan 0.000 0.527 244 L N 1.183 122.260 121.223 -0.243 0.000 2.256 244 L HA 0.675 5.014 4.340 -0.001 0.000 0.261 244 L C -0.411 176.223 176.870 -0.392 0.000 1.022 244 L CA -0.982 53.623 54.840 -0.392 0.000 0.828 244 L CB 1.587 43.290 42.059 -0.592 0.000 1.374 244 L HN 0.752 nan 8.230 nan 0.000 0.436 245 N N 0.304 118.696 118.700 -0.513 0.000 2.699 245 N HA 0.325 5.064 4.740 -0.001 0.000 0.271 245 N C -1.575 173.748 175.510 -0.312 0.000 1.216 245 N CA -0.331 52.520 53.050 -0.331 0.000 0.844 245 N CB 0.614 38.999 38.487 -0.170 0.000 1.462 245 N HN 0.242 nan 8.380 nan 0.000 0.555 246 F N 1.858 121.793 119.950 -0.025 0.000 2.389 246 F HA 0.787 5.314 4.527 0.000 0.000 0.337 246 F C 1.177 176.967 175.800 -0.018 0.000 1.112 246 F CA 0.060 58.054 58.000 -0.010 0.000 1.192 246 F CB 1.341 40.338 39.000 -0.006 0.000 1.185 246 F HN 0.522 nan 8.300 nan 0.000 0.552 247 A N 0.433 123.387 122.820 0.224 0.000 2.511 247 A HA 0.707 5.027 4.320 -0.001 0.000 0.293 247 A C -0.727 176.951 177.584 0.157 0.000 1.098 247 A CA -0.457 51.655 52.037 0.125 0.000 0.643 247 A CB 0.901 19.938 19.000 0.061 0.000 1.302 247 A HN 0.730 nan 8.150 nan 0.000 0.446 248 T N -1.794 112.835 114.554 0.125 0.000 2.950 248 T HA 0.564 4.913 4.350 -0.001 0.000 0.288 248 T C 1.148 175.929 174.700 0.134 0.000 1.035 248 T CA 0.294 62.505 62.100 0.186 0.000 1.028 248 T CB 1.341 70.321 68.868 0.186 0.000 1.109 248 T HN 1.619 nan 8.240 nan 0.000 0.514 249 S N 0.339 116.148 115.700 0.181 0.000 2.423 249 S HA -0.106 4.363 4.470 -0.001 0.000 0.231 249 S C 1.119 175.763 174.600 0.074 0.000 1.014 249 S CA 0.987 59.258 58.200 0.117 0.000 0.965 249 S CB -0.620 62.661 63.200 0.135 0.000 0.785 249 S HN 0.911 nan 8.310 nan 0.000 0.495 250 D N 0.608 121.044 120.400 0.061 0.000 2.368 250 D HA 0.144 4.783 4.640 -0.001 0.000 0.218 250 D C 0.083 176.363 176.300 -0.032 0.000 1.112 250 D CA -0.292 53.710 54.000 0.003 0.000 0.834 250 D CB -0.862 39.928 40.800 -0.017 0.000 0.953 250 D HN 0.244 nan 8.370 nan 0.000 0.505 251 N N 0.732 119.420 118.700 -0.021 0.000 2.800 251 N HA -0.198 4.541 4.740 -0.001 0.000 0.250 251 N C -0.156 175.314 175.510 -0.066 0.000 1.078 251 N CA 0.813 53.843 53.050 -0.034 0.000 0.804 251 N CB -1.396 37.072 38.487 -0.030 0.000 1.135 251 N HN 0.663 nan 8.380 nan 0.000 0.565 252 R N 1.024 121.458 120.500 -0.109 0.000 2.623 252 R HA 0.296 4.635 4.340 -0.001 0.000 0.271 252 R C -2.396 173.849 176.300 -0.093 0.000 1.043 252 R CA -0.712 55.309 56.100 -0.132 0.000 1.083 252 R CB 0.015 30.166 30.300 -0.249 0.000 0.974 252 R HN -0.079 nan 8.270 nan 0.000 0.436 253 P HA 0.053 nan 4.420 nan 0.000 0.271 253 P C -0.660 176.567 177.300 -0.123 0.000 1.218 253 P CA -0.112 62.883 63.100 -0.174 0.000 0.780 253 P CB 0.587 32.083 31.700 -0.340 0.000 0.901 254 L N 2.631 123.762 121.223 -0.154 0.000 2.289 254 L HA 0.354 4.693 4.340 -0.001 0.000 0.285 254 L C -0.091 176.655 176.870 -0.205 0.000 1.049 254 L CA -0.844 53.957 54.840 -0.064 0.000 0.804 254 L CB 0.181 42.220 42.059 -0.034 0.000 1.195 254 L HN 0.306 nan 8.230 nan 0.000 0.428 255 Y N 2.268 122.576 120.300 0.014 0.000 2.518 255 Y HA 0.294 4.844 4.550 -0.001 0.000 0.344 255 Y C 0.191 176.066 175.900 -0.042 0.000 0.982 255 Y CA -0.817 57.266 58.100 -0.028 0.000 1.234 255 Y CB 0.900 39.322 38.460 -0.064 0.000 1.114 255 Y HN 0.219 nan 8.280 nan 0.000 0.515 256 V N 6.103 126.044 119.914 0.045 0.000 2.439 256 V HA 0.003 4.122 4.120 -0.001 0.000 0.271 256 V C 1.114 177.270 176.094 0.103 0.000 1.040 256 V CA 0.105 62.438 62.300 0.057 0.000 1.002 256 V CB 0.124 31.938 31.823 -0.015 0.000 1.000 256 V HN 0.859 nan 8.190 nan 0.000 0.477 257 I N 1.976 122.611 120.570 0.108 0.000 4.070 257 I HA 0.772 4.941 4.170 -0.001 0.000 0.328 257 I C 0.688 176.872 176.117 0.112 0.000 1.298 257 I CA 0.242 61.590 61.300 0.080 0.000 1.173 257 I CB 0.441 38.455 38.000 0.022 0.000 1.051 257 I HN 0.529 nan 8.210 nan 0.000 0.409 258 A N 0.581 123.503 122.820 0.169 0.000 2.594 258 A HA 0.760 5.079 4.320 -0.001 0.000 0.296 258 A C -0.353 177.355 177.584 0.206 0.000 1.061 258 A CA -0.014 52.119 52.037 0.159 0.000 0.689 258 A CB 0.963 20.027 19.000 0.106 0.000 1.280 258 A HN 0.289 nan 8.150 nan 0.000 0.406 259 S N 0.176 115.934 115.700 0.098 0.000 2.786 259 S HA 0.565 5.034 4.470 -0.001 0.000 0.302 259 S C 0.264 174.747 174.600 -0.196 0.000 1.080 259 S CA -0.060 58.045 58.200 -0.158 0.000 0.925 259 S CB 0.290 63.467 63.200 -0.039 0.000 1.325 259 S HN 0.537 nan 8.310 nan 0.000 0.576 260 D N 1.424 121.661 120.400 -0.272 0.000 2.133 260 D HA -0.056 4.583 4.640 -0.001 0.000 0.192 260 D C 1.707 177.989 176.300 -0.029 0.000 1.001 260 D CA 1.972 55.887 54.000 -0.141 0.000 0.844 260 D CB -0.863 39.878 40.800 -0.099 0.000 0.944 260 D HN 0.742 nan 8.370 nan 0.000 0.447 261 G N -1.152 107.662 108.800 0.023 0.000 3.088 261 G HA2 0.453 4.412 3.960 -0.001 0.000 0.217 261 G HA3 0.453 4.412 3.960 -0.001 0.000 0.217 261 G C 0.692 175.629 174.900 0.062 0.000 1.159 261 G CA 0.512 45.630 45.100 0.030 0.000 0.760 261 G HN 0.650 nan 8.290 nan 0.000 0.550 262 G N -0.417 108.452 108.800 0.115 0.000 2.270 262 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.268 262 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.268 262 G C -0.576 174.420 174.900 0.160 0.000 1.312 262 G CA -0.944 44.227 45.100 0.118 0.000 1.050 262 G HN 0.384 nan 8.290 nan 0.000 0.474 263 L N 1.120 122.431 121.223 0.146 0.000 2.559 263 L HA 0.216 4.555 4.340 -0.001 0.000 0.282 263 L C 1.194 178.147 176.870 0.138 0.000 1.232 263 L CA -0.096 54.819 54.840 0.125 0.000 0.885 263 L CB -0.005 42.112 42.059 0.095 0.000 1.131 263 L HN 0.419 nan 8.230 nan 0.000 0.498 264 L N 4.587 125.874 121.223 0.107 0.000 2.476 264 L HA 0.105 4.444 4.340 -0.001 0.000 0.255 264 L C -1.220 175.679 176.870 0.048 0.000 1.218 264 L CA -1.420 53.464 54.840 0.073 0.000 0.819 264 L CB -0.104 42.009 42.059 0.089 0.000 1.119 264 L HN 0.442 nan 8.230 nan 0.000 0.485 265 P HA -0.135 nan 4.420 nan 0.000 0.216 265 P C -0.556 176.755 177.300 0.019 0.000 1.150 265 P CA 1.291 64.398 63.100 0.012 0.000 0.837 265 P CB 0.166 31.861 31.700 -0.008 0.000 0.786 266 E N -3.389 116.826 120.200 0.025 0.000 2.437 266 E HA 0.446 4.795 4.350 -0.001 0.000 0.280 266 E C -3.224 173.398 176.600 0.037 0.000 1.044 266 E CA -2.646 53.768 56.400 0.023 0.000 0.826 266 E CB 0.645 30.356 29.700 0.019 0.000 1.358 266 E HN -0.266 nan 8.360 nan 0.000 0.459 267 P HA 0.101 nan 4.420 nan 0.000 0.271 267 P C -0.718 176.623 177.300 0.067 0.000 1.216 267 P CA -0.353 62.783 63.100 0.061 0.000 0.776 267 P CB 0.661 32.407 31.700 0.076 0.000 0.881 268 V N 3.874 123.826 119.914 0.062 0.000 2.347 268 V HA 0.260 4.379 4.120 -0.001 0.000 0.280 268 V C 0.506 176.570 176.094 -0.049 0.000 1.021 268 V CA -0.584 61.731 62.300 0.026 0.000 0.847 268 V CB 0.955 32.814 31.823 0.060 0.000 0.990 268 V HN 0.439 nan 8.190 nan 0.000 0.444 269 K N 4.810 125.155 120.400 -0.092 0.000 2.285 269 K HA 0.600 4.919 4.320 -0.001 0.000 0.286 269 K C -0.562 175.892 176.600 -0.243 0.000 1.072 269 K CA -0.338 55.792 56.287 -0.261 0.000 0.913 269 K CB 1.207 33.535 32.500 -0.287 0.000 1.067 269 K HN 0.666 nan 8.250 nan 0.000 0.479 270 V N 0.436 120.180 119.914 -0.283 0.000 3.001 270 V HA 0.393 4.512 4.120 -0.001 0.000 0.314 270 V C 0.477 176.453 176.094 -0.196 0.000 1.099 270 V CA -0.636 61.525 62.300 -0.232 0.000 0.989 270 V CB 1.837 33.483 31.823 -0.294 0.000 1.040 270 V HN 0.739 nan 8.190 nan 0.000 0.434 271 S N 1.225 116.840 115.700 -0.142 0.000 2.406 271 S HA 0.136 4.605 4.470 -0.001 0.000 0.224 271 S C 0.450 175.004 174.600 -0.076 0.000 1.030 271 S CA 1.082 59.222 58.200 -0.100 0.000 0.958 271 S CB -0.274 62.881 63.200 -0.075 0.000 0.811 271 S HN 0.983 nan 8.310 nan 0.000 0.489 272 E N -0.146 119.999 120.200 -0.091 0.000 2.408 272 E HA 0.605 4.954 4.350 -0.001 0.000 0.275 272 E C -1.599 174.930 176.600 -0.118 0.000 0.935 272 E CA -0.939 55.421 56.400 -0.067 0.000 0.775 272 E CB 1.491 31.162 29.700 -0.047 0.000 1.277 272 E HN 0.022 nan 8.360 nan 0.000 0.455 273 L N 1.718 122.898 121.223 -0.070 0.000 2.492 273 L HA 0.438 4.777 4.340 -0.001 0.000 0.258 273 L C -2.929 173.923 176.870 -0.031 0.000 1.028 273 L CA -1.783 52.981 54.840 -0.126 0.000 0.900 273 L CB 1.455 43.430 42.059 -0.139 0.000 1.191 273 L HN 0.363 nan 8.230 nan 0.000 0.459 274 P HA 0.210 nan 4.420 nan 0.000 0.267 274 P C -1.140 176.209 177.300 0.081 0.000 1.205 274 P CA 0.122 63.213 63.100 -0.015 0.000 0.765 274 P CB 0.958 32.664 31.700 0.011 0.000 0.828 275 V N 5.139 125.100 119.914 0.078 0.000 2.525 275 V HA 0.292 4.411 4.120 -0.001 0.000 0.299 275 V C 0.326 176.478 176.094 0.096 0.000 1.034 275 V CA -0.652 61.782 62.300 0.223 0.000 0.863 275 V CB 1.449 33.481 31.823 0.348 0.000 0.999 275 V HN 0.382 nan 8.190 nan 0.000 0.423 276 L N 3.568 124.866 121.223 0.123 0.000 2.468 276 L HA 0.479 4.818 4.340 -0.001 0.000 0.254 276 L C 0.268 177.144 176.870 0.010 0.000 1.171 276 L CA -0.809 54.068 54.840 0.062 0.000 0.809 276 L CB 0.630 42.754 42.059 0.108 0.000 1.155 276 L HN 0.503 nan 8.230 nan 0.000 0.473 277 M N 1.542 121.146 119.600 0.005 0.000 2.327 277 M HA 0.160 4.639 4.480 -0.001 0.000 0.353 277 M C 0.970 177.182 176.300 -0.148 0.000 1.539 277 M CA 1.133 56.419 55.300 -0.022 0.000 1.039 277 M CB -0.400 32.254 32.600 0.091 0.000 1.967 277 M HN 0.817 nan 8.290 nan 0.000 0.459 278 G N 1.427 110.056 108.800 -0.283 0.000 2.213 278 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.236 278 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.236 278 G C 0.074 174.762 174.900 -0.353 0.000 0.991 278 G CA -0.273 44.588 45.100 -0.398 0.000 0.629 278 G HN 0.619 nan 8.290 nan 0.000 0.517 279 E N 0.277 120.337 120.200 -0.234 0.000 2.343 279 E HA 0.611 4.960 4.350 -0.001 0.000 0.269 279 E C 0.176 176.614 176.600 -0.271 0.000 1.047 279 E CA -0.301 55.985 56.400 -0.189 0.000 0.874 279 E CB 0.640 30.307 29.700 -0.055 0.000 1.033 279 E HN 0.256 nan 8.360 nan 0.000 0.409 280 R N 1.334 121.628 120.500 -0.342 0.000 2.670 280 R HA 0.495 4.834 4.340 -0.001 0.000 0.289 280 R C -1.298 174.716 176.300 -0.478 0.000 0.965 280 R CA -0.434 55.493 56.100 -0.289 0.000 0.899 280 R CB 1.003 31.180 30.300 -0.204 0.000 1.173 280 R HN 0.327 nan 8.270 nan 0.000 0.456 281 F N 0.461 120.411 119.950 -0.000 0.000 2.556 281 F HA 0.380 4.906 4.527 -0.002 0.000 0.314 281 F C 0.002 175.794 175.800 -0.013 0.000 1.106 281 F CA -0.802 57.214 58.000 0.026 0.000 0.911 281 F CB 2.215 41.253 39.000 0.063 0.000 1.190 281 F HN 0.335 nan 8.300 nan 0.000 0.448 282 E N 2.942 123.251 120.200 0.182 0.000 2.146 282 E HA 0.544 4.894 4.350 -0.001 0.000 0.282 282 E C -0.875 175.792 176.600 0.111 0.000 0.989 282 E CA -0.825 55.637 56.400 0.104 0.000 0.799 282 E CB 2.011 31.757 29.700 0.077 0.000 1.088 282 E HN 0.425 nan 8.360 nan 0.000 0.397 283 V N 0.695 120.648 119.914 0.066 0.000 2.815 283 V HA 0.576 4.695 4.120 -0.001 0.000 0.314 283 V C -0.796 175.347 176.094 0.082 0.000 1.064 283 V CA -1.156 61.187 62.300 0.073 0.000 0.952 283 V CB 1.443 33.296 31.823 0.050 0.000 1.020 283 V HN 0.420 nan 8.190 nan 0.000 0.439 284 L N 3.228 124.522 121.223 0.118 0.000 2.317 284 L HA 0.742 5.081 4.340 -0.001 0.000 0.281 284 L C -0.168 176.943 176.870 0.402 0.000 1.024 284 L CA -0.041 54.894 54.840 0.160 0.000 0.810 284 L CB 1.852 43.817 42.059 -0.157 0.000 1.240 284 L HN 0.701 nan 8.230 nan 0.000 0.427 285 V N 2.099 122.278 119.914 0.442 0.000 2.628 285 V HA 0.403 4.522 4.120 -0.001 0.000 0.306 285 V C -0.083 176.259 176.094 0.412 0.000 1.045 285 V CA -0.975 61.588 62.300 0.439 0.000 0.905 285 V CB 1.753 33.780 31.823 0.340 0.000 0.997 285 V HN 0.661 nan 8.190 nan 0.000 0.436 286 E N 2.195 122.507 120.200 0.187 0.000 2.223 286 E HA 0.372 4.721 4.350 -0.001 0.000 0.282 286 E C -1.160 175.327 176.600 -0.187 0.000 1.046 286 E CA -0.308 55.902 56.400 -0.316 0.000 0.857 286 E CB 1.440 30.878 29.700 -0.436 0.000 1.055 286 E HN 0.542 nan 8.360 nan 0.000 0.409 287 V N 6.858 126.661 119.914 -0.185 0.000 2.240 287 V HA 0.080 4.199 4.120 -0.001 0.000 0.265 287 V C 0.815 176.834 176.094 -0.125 0.000 1.073 287 V CA -0.493 61.782 62.300 -0.043 0.000 0.857 287 V CB 0.241 32.107 31.823 0.072 0.000 1.114 287 V HN 0.664 nan 8.190 nan 0.000 0.469 288 N N 2.074 120.692 118.700 -0.135 0.000 2.294 288 N HA 0.047 4.786 4.740 -0.001 0.000 0.186 288 N C 0.180 175.633 175.510 -0.094 0.000 1.107 288 N CA 0.395 53.349 53.050 -0.160 0.000 0.884 288 N CB 1.122 39.496 38.487 -0.187 0.000 1.030 288 N HN 0.656 nan 8.380 nan 0.000 0.482 289 D N -0.762 119.605 120.400 -0.055 0.000 3.225 289 D HA 0.207 4.846 4.640 -0.001 0.000 0.294 289 D C -0.031 176.271 176.300 0.004 0.000 1.306 289 D CA -0.530 53.453 54.000 -0.028 0.000 1.019 289 D CB -0.195 40.588 40.800 -0.028 0.000 1.344 289 D HN -0.280 nan 8.370 nan 0.000 0.615 290 N N -1.312 117.393 118.700 0.009 0.000 2.299 290 N HA 0.146 4.885 4.740 -0.001 0.000 0.187 290 N C -0.254 175.280 175.510 0.040 0.000 1.099 290 N CA 0.492 53.553 53.050 0.018 0.000 0.867 290 N CB -0.058 38.431 38.487 0.003 0.000 0.974 290 N HN 0.598 nan 8.380 nan 0.000 0.477 291 K N 1.993 122.428 120.400 0.058 0.000 2.339 291 K HA 0.334 4.653 4.320 -0.001 0.000 0.286 291 K C -2.576 174.120 176.600 0.161 0.000 1.050 291 K CA -1.498 54.838 56.287 0.081 0.000 0.956 291 K CB -0.610 31.928 32.500 0.065 0.000 0.990 291 K HN 0.016 nan 8.250 nan 0.000 0.475 292 P HA 0.397 nan 4.420 nan 0.000 0.271 292 P C -0.737 176.690 177.300 0.213 0.000 1.216 292 P CA -0.197 62.960 63.100 0.095 0.000 0.776 292 P CB 0.120 31.826 31.700 0.011 0.000 0.881 293 F N -0.633 119.336 119.950 0.032 0.000 2.650 293 F HA 0.695 5.221 4.527 -0.002 0.000 0.320 293 F C -0.881 174.964 175.800 0.076 0.000 1.091 293 F CA -1.395 56.633 58.000 0.046 0.000 0.962 293 F CB 0.869 39.891 39.000 0.037 0.000 1.363 293 F HN -0.002 nan 8.300 nan 0.000 0.482 294 D N 1.699 122.201 120.400 0.170 0.000 2.192 294 D HA 0.343 4.982 4.640 -0.001 0.000 0.246 294 D C -0.793 175.626 176.300 0.198 0.000 1.042 294 D CA -0.278 53.789 54.000 0.112 0.000 0.847 294 D CB 2.350 43.244 40.800 0.157 0.000 1.186 294 D HN 0.659 nan 8.370 nan 0.000 0.461 295 L N 2.970 124.272 121.223 0.131 0.000 2.462 295 L HA 0.180 4.519 4.340 -0.001 0.000 0.272 295 L C -0.276 176.716 176.870 0.203 0.000 1.166 295 L CA 0.197 55.153 54.840 0.193 0.000 0.880 295 L CB 0.409 42.547 42.059 0.132 0.000 1.142 295 L HN 0.242 nan 8.230 nan 0.000 0.473 296 V N 1.712 121.755 119.914 0.215 0.000 3.113 296 V HA 0.774 4.894 4.120 -0.001 0.000 0.316 296 V C -0.355 175.850 176.094 0.186 0.000 1.125 296 V CA -0.434 61.968 62.300 0.171 0.000 1.026 296 V CB 1.907 33.789 31.823 0.098 0.000 1.080 296 V HN 0.817 nan 8.190 nan 0.000 0.444 297 T N 2.392 117.004 114.554 0.097 0.000 2.824 297 T HA 0.665 5.014 4.350 -0.001 0.000 0.282 297 T C -0.631 174.063 174.700 -0.011 0.000 0.993 297 T CA -0.535 61.534 62.100 -0.052 0.000 0.967 297 T CB 0.593 69.346 68.868 -0.192 0.000 0.960 297 T HN 0.751 nan 8.240 nan 0.000 0.441 298 L N 5.585 126.778 121.223 -0.051 0.000 2.379 298 L HA 0.483 4.823 4.340 -0.001 0.000 0.269 298 L C -2.020 174.827 176.870 -0.039 0.000 1.084 298 L CA -2.507 52.317 54.840 -0.027 0.000 0.802 298 L CB 0.559 42.598 42.059 -0.033 0.000 1.175 298 L HN 0.459 nan 8.230 nan 0.000 0.448 299 P HA -0.007 nan 4.420 nan 0.000 0.264 299 P C -0.726 176.536 177.300 -0.063 0.000 1.183 299 P CA -0.060 63.024 63.100 -0.027 0.000 0.763 299 P CB 0.553 32.242 31.700 -0.018 0.000 0.807 300 V N -0.006 119.853 119.914 -0.092 0.000 2.881 300 V HA 0.602 4.721 4.120 -0.001 0.000 0.316 300 V C -0.130 175.901 176.094 -0.106 0.000 1.070 300 V CA -0.771 61.465 62.300 -0.107 0.000 0.976 300 V CB 2.020 33.757 31.823 -0.144 0.000 1.038 300 V HN 0.409 nan 8.190 nan 0.000 0.446 301 S N 3.327 118.972 115.700 -0.091 0.000 2.835 301 S HA 0.512 4.981 4.470 -0.001 0.000 0.286 301 S C -0.299 174.238 174.600 -0.105 0.000 1.194 301 S CA -0.413 57.735 58.200 -0.088 0.000 1.031 301 S CB -0.409 62.754 63.200 -0.061 0.000 1.216 301 S HN 0.880 nan 8.310 nan 0.000 0.502 302 Q N 2.397 122.110 119.800 -0.144 0.000 2.284 302 Q HA 0.370 4.710 4.340 -0.001 0.000 0.269 302 Q C -1.131 174.740 176.000 -0.215 0.000 1.026 302 Q CA -0.609 55.094 55.803 -0.167 0.000 0.831 302 Q CB 1.762 30.385 28.738 -0.193 0.000 1.322 302 Q HN 0.627 nan 8.270 nan 0.000 0.419 303 M N 2.453 121.942 119.600 -0.184 0.000 2.290 303 M HA 0.005 4.484 4.480 -0.001 0.000 0.356 303 M C 1.092 177.179 176.300 -0.354 0.000 1.448 303 M CA 2.582 57.764 55.300 -0.197 0.000 0.993 303 M CB 0.024 32.555 32.600 -0.116 0.000 1.934 303 M HN 1.068 nan 8.290 nan 0.000 0.461 304 G N 3.474 112.019 108.800 -0.425 0.000 2.268 304 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.240 304 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.240 304 G C 0.507 174.804 174.900 -1.005 0.000 1.010 304 G CA 0.273 44.891 45.100 -0.803 0.000 0.618 304 G HN 0.586 nan 8.290 nan 0.000 0.516 305 M N 0.766 119.944 119.600 -0.703 0.000 2.556 305 M HA 0.531 5.010 4.480 -0.001 0.000 0.245 305 M C 2.177 178.267 176.300 -0.350 0.000 1.128 305 M CA 0.884 55.813 55.300 -0.618 0.000 1.069 305 M CB -0.271 32.035 32.600 -0.490 0.000 1.469 305 M HN 0.803 nan 8.290 nan 0.000 0.494 306 A N 0.156 122.823 122.820 -0.254 0.000 2.503 306 A HA 0.330 4.649 4.320 -0.001 0.000 0.263 306 A C 0.681 178.226 177.584 -0.065 0.000 1.258 306 A CA -0.362 51.611 52.037 -0.107 0.000 0.936 306 A CB 0.047 18.990 19.000 -0.095 0.000 1.070 306 A HN 0.191 nan 8.150 nan 0.000 0.522 307 I N 1.117 121.622 120.570 -0.108 0.000 2.754 307 I HA 0.164 4.333 4.170 -0.001 0.000 0.285 307 I C 1.215 177.376 176.117 0.074 0.000 1.166 307 I CA -0.255 61.022 61.300 -0.040 0.000 1.417 307 I CB -0.141 37.788 38.000 -0.118 0.000 1.382 307 I HN 0.315 nan 8.210 nan 0.000 0.588 308 A N 8.653 131.512 122.820 0.065 0.000 2.561 308 A HA 0.204 4.523 4.320 -0.001 0.000 0.234 308 A C -1.378 176.256 177.584 0.083 0.000 1.055 308 A CA -0.538 51.531 52.037 0.052 0.000 0.756 308 A CB -0.576 18.442 19.000 0.029 0.000 0.986 308 A HN 0.708 nan 8.150 nan 0.000 0.505 309 P HA 0.164 nan 4.420 nan 0.000 0.257 309 P C -0.087 177.082 177.300 -0.219 0.000 1.325 309 P CA 0.430 63.432 63.100 -0.164 0.000 0.850 309 P CB -0.028 31.526 31.700 -0.244 0.000 1.324 310 F N 1.160 121.127 119.950 0.029 0.000 2.645 310 F HA 0.083 4.609 4.527 -0.002 0.000 0.300 310 F C 1.578 177.347 175.800 -0.052 0.000 1.115 310 F CA -0.030 57.958 58.000 -0.020 0.000 1.355 310 F CB -0.125 38.805 39.000 -0.116 0.000 1.026 310 F HN -0.059 nan 8.300 nan 0.000 0.536 311 D N -0.423 120.020 120.400 0.073 0.000 2.340 311 D HA -0.002 4.637 4.640 -0.001 0.000 0.220 311 D C 0.309 176.612 176.300 0.004 0.000 1.039 311 D CA 0.399 54.412 54.000 0.023 0.000 0.866 311 D CB 0.148 40.951 40.800 0.005 0.000 0.913 311 D HN 0.213 nan 8.370 nan 0.000 0.523 312 K N -0.008 120.392 120.400 0.000 0.000 2.433 312 K HA 0.502 4.821 4.320 -0.001 0.000 0.252 312 K C -2.821 173.778 176.600 -0.002 0.000 1.015 312 K CA -2.284 53.993 56.287 -0.016 0.000 0.860 312 K CB 1.774 34.247 32.500 -0.044 0.000 1.359 312 K HN -0.243 nan 8.250 nan 0.000 0.452 313 P HA -0.093 nan 4.420 nan 0.000 0.264 313 P C -1.323 175.974 177.300 -0.006 0.000 1.179 313 P CA 0.501 63.604 63.100 0.005 0.000 0.763 313 P CB 0.219 31.913 31.700 -0.010 0.000 0.806 314 H N 2.608 121.626 119.070 -0.086 0.000 2.782 314 H HA 0.357 4.913 4.556 -0.002 0.000 0.347 314 H C -2.514 172.735 175.328 -0.132 0.000 1.038 314 H CA -2.416 53.538 56.048 -0.158 0.000 1.255 314 H CB 1.493 31.135 29.762 -0.200 0.000 1.623 314 H HN 0.246 nan 8.280 nan 0.000 0.525 315 P HA -0.083 nan 4.420 nan 0.000 0.267 315 P C 0.044 177.381 177.300 0.063 0.000 1.200 315 P CA 0.089 63.061 63.100 -0.214 0.000 0.772 315 P CB 2.002 33.146 31.700 -0.925 0.000 0.855 316 V N 2.530 122.540 119.914 0.161 0.000 2.911 316 V HA 0.188 4.307 4.120 -0.001 0.000 0.237 316 V C 0.969 177.248 176.094 0.308 0.000 1.156 316 V CA 1.312 63.760 62.300 0.246 0.000 1.180 316 V CB -0.306 31.687 31.823 0.283 0.000 0.932 316 V HN 0.682 nan 8.190 nan 0.000 0.483 317 M N -0.470 119.320 119.600 0.317 0.000 2.605 317 M HA 0.646 5.126 4.480 -0.001 0.000 0.281 317 M C -1.292 175.127 176.300 0.199 0.000 1.166 317 M CA -0.787 54.685 55.300 0.286 0.000 0.875 317 M CB 2.213 34.884 32.600 0.119 0.000 1.732 317 M HN -0.013 nan 8.290 nan 0.000 0.504 318 R N 2.184 122.709 120.500 0.040 0.000 2.254 318 R HA 0.729 5.068 4.340 -0.001 0.000 0.318 318 R C -1.996 174.197 176.300 -0.179 0.000 1.031 318 R CA -0.197 55.858 56.100 -0.077 0.000 0.905 318 R CB 0.446 30.614 30.300 -0.220 0.000 1.050 318 R HN 0.787 nan 8.270 nan 0.000 0.456 319 I N 3.747 124.101 120.570 -0.361 0.000 2.315 319 I HA 0.239 4.409 4.170 -0.001 0.000 0.291 319 I C -0.234 175.682 176.117 -0.334 0.000 1.006 319 I CA -0.224 60.821 61.300 -0.426 0.000 1.265 319 I CB 1.583 39.071 38.000 -0.854 0.000 1.387 319 I HN 0.522 nan 8.210 nan 0.000 0.475 320 Q N 9.167 128.849 119.800 -0.197 0.000 2.394 320 Q HA 0.510 4.849 4.340 -0.001 0.000 0.259 320 Q C -2.657 173.288 176.000 -0.092 0.000 1.021 320 Q CA -2.222 53.503 55.803 -0.130 0.000 0.805 320 Q CB 1.554 30.214 28.738 -0.130 0.000 1.226 320 Q HN 0.223 nan 8.270 nan 0.000 0.476 321 P HA 0.173 nan 4.420 nan 0.000 0.268 321 P C -0.775 176.508 177.300 -0.029 0.000 1.204 321 P CA 0.115 63.214 63.100 -0.002 0.000 0.768 321 P CB 0.415 32.139 31.700 0.040 0.000 0.842 322 I N -1.591 118.960 120.570 -0.032 0.000 2.969 322 I HA 0.804 4.973 4.170 -0.001 0.000 0.307 322 I C -0.634 175.469 176.117 -0.024 0.000 1.149 322 I CA -1.592 59.686 61.300 -0.037 0.000 1.008 322 I CB 2.628 40.593 38.000 -0.059 0.000 1.232 322 I HN 0.161 nan 8.210 nan 0.000 0.435 323 A N 5.483 128.291 122.820 -0.021 0.000 3.293 323 A HA 0.660 4.979 4.320 -0.001 0.000 0.282 323 A C 0.022 177.599 177.584 -0.011 0.000 1.394 323 A CA -0.452 51.576 52.037 -0.015 0.000 1.118 323 A CB -0.983 18.008 19.000 -0.014 0.000 1.133 323 A HN 0.688 nan 8.150 nan 0.000 0.627 324 I N -3.505 117.060 120.570 -0.009 0.000 3.100 324 I HA 0.620 4.789 4.170 -0.001 0.000 0.312 324 I C 0.157 176.278 176.117 0.007 0.000 1.063 324 I CA -0.873 60.425 61.300 -0.002 0.000 1.031 324 I CB 1.488 39.486 38.000 -0.004 0.000 1.243 324 I HN -0.025 nan 8.210 nan 0.000 0.483 325 S N 1.887 117.595 115.700 0.013 0.000 2.546 325 S HA 0.502 4.971 4.470 -0.001 0.000 0.290 325 S C -0.067 174.553 174.600 0.032 0.000 1.290 325 S CA -0.067 58.145 58.200 0.021 0.000 1.069 325 S CB 0.202 63.416 63.200 0.023 0.000 0.846 325 S HN 0.880 nan 8.310 nan 0.000 0.495 326 A N 2.100 124.943 122.820 0.037 0.000 2.540 326 A HA 0.643 4.962 4.320 -0.001 0.000 0.297 326 A C 0.314 177.936 177.584 0.062 0.000 1.056 326 A CA -0.598 51.473 52.037 0.056 0.000 0.700 326 A CB 1.132 20.169 19.000 0.063 0.000 1.280 326 A HN 0.845 nan 8.150 nan 0.000 0.398 327 S N 0.950 116.694 115.700 0.074 0.000 2.733 327 S HA 0.402 4.871 4.470 -0.001 0.000 0.247 327 S C 0.932 175.593 174.600 0.103 0.000 1.043 327 S CA 0.365 58.611 58.200 0.078 0.000 1.066 327 S CB 0.003 63.237 63.200 0.057 0.000 1.045 327 S HN 1.750 nan 8.310 nan 0.000 0.586 328 G N 1.271 110.146 108.800 0.125 0.000 2.414 328 G HA2 0.518 4.477 3.960 -0.001 0.000 0.236 328 G HA3 0.518 4.477 3.960 -0.001 0.000 0.236 328 G C -0.086 174.918 174.900 0.174 0.000 1.293 328 G CA 0.166 45.340 45.100 0.123 0.000 0.869 328 G HN 0.771 nan 8.290 nan 0.000 0.556 329 A N 1.153 123.989 122.820 0.027 0.000 2.430 329 A HA 0.712 5.031 4.320 -0.001 0.000 0.300 329 A C -0.896 176.436 177.584 -0.421 0.000 1.124 329 A CA -0.751 51.242 52.037 -0.073 0.000 0.766 329 A CB 1.876 20.877 19.000 0.000 0.000 1.328 329 A HN 1.130 nan 8.150 nan 0.000 0.424 330 L N 2.049 122.872 121.223 -0.667 0.000 2.264 330 L HA 0.564 4.903 4.340 -0.001 0.000 0.287 330 L C -2.303 174.381 176.870 -0.311 0.000 1.039 330 L CA -1.519 52.914 54.840 -0.678 0.000 0.829 330 L CB 0.567 41.924 42.059 -1.170 0.000 1.211 330 L HN 0.424 nan 8.230 nan 0.000 0.427 331 P HA 0.212 nan 4.420 nan 0.000 0.271 331 P C -0.067 177.186 177.300 -0.079 0.000 1.218 331 P CA -0.273 62.765 63.100 -0.103 0.000 0.780 331 P CB 0.732 32.389 31.700 -0.072 0.000 0.901 332 D N -0.224 120.152 120.400 -0.041 0.000 2.149 332 D HA -0.069 4.570 4.640 -0.001 0.000 0.198 332 D C 0.156 176.450 176.300 -0.011 0.000 0.990 332 D CA 1.610 55.599 54.000 -0.017 0.000 0.839 332 D CB -0.073 40.725 40.800 -0.004 0.000 0.948 332 D HN 0.332 nan 8.370 nan 0.000 0.460 333 T N -0.336 114.211 114.554 -0.013 0.000 2.991 333 T HA 0.391 4.740 4.350 -0.001 0.000 0.303 333 T C 0.988 175.686 174.700 -0.003 0.000 1.015 333 T CA -0.528 61.570 62.100 -0.002 0.000 1.007 333 T CB 1.993 70.863 68.868 0.003 0.000 1.034 333 T HN -0.176 nan 8.240 nan 0.000 0.446 334 L N 1.378 122.604 121.223 0.005 0.000 2.388 334 L HA 0.458 4.797 4.340 -0.001 0.000 0.209 334 L C 0.987 177.872 176.870 0.025 0.000 1.061 334 L CA 0.207 55.053 54.840 0.010 0.000 0.834 334 L CB 0.446 42.517 42.059 0.018 0.000 1.029 334 L HN 0.581 nan 8.230 nan 0.000 0.473 335 S N -1.805 113.913 115.700 0.031 0.000 2.597 335 S HA 0.307 4.776 4.470 -0.001 0.000 0.274 335 S C -1.454 173.171 174.600 0.042 0.000 1.132 335 S CA -0.545 57.683 58.200 0.047 0.000 0.835 335 S CB 1.713 64.957 63.200 0.073 0.000 1.092 335 S HN -0.057 nan 8.310 nan 0.000 0.457 336 S N 2.652 118.384 115.700 0.054 0.000 2.566 336 S HA 0.703 5.172 4.470 -0.001 0.000 0.324 336 S C -1.161 173.481 174.600 0.070 0.000 1.081 336 S CA -0.508 57.719 58.200 0.045 0.000 1.105 336 S CB -0.044 63.180 63.200 0.041 0.000 0.981 336 S HN 0.488 nan 8.310 nan 0.000 0.464 337 L N 5.204 126.446 121.223 0.032 0.000 2.399 337 L HA 0.618 4.957 4.340 -0.001 0.000 0.265 337 L C -1.740 175.132 176.870 0.002 0.000 1.089 337 L CA -1.614 53.237 54.840 0.018 0.000 0.802 337 L CB -0.060 41.891 42.059 -0.179 0.000 1.180 337 L HN 0.502 nan 8.230 nan 0.000 0.454 338 P HA 0.240 nan 4.420 nan 0.000 0.270 338 P C -0.954 176.311 177.300 -0.057 0.000 1.223 338 P CA -0.517 62.609 63.100 0.043 0.000 0.785 338 P CB 0.351 32.146 31.700 0.160 0.000 0.923 339 A N 2.238 125.035 122.820 -0.039 0.000 2.483 339 A HA 0.152 4.471 4.320 -0.001 0.000 0.238 339 A C 0.372 177.875 177.584 -0.134 0.000 1.070 339 A CA -0.387 51.603 52.037 -0.078 0.000 0.770 339 A CB -0.497 18.473 19.000 -0.050 0.000 1.008 339 A HN 0.584 nan 8.150 nan 0.000 0.497 340 L N 3.394 124.514 121.223 -0.171 0.000 2.578 340 L HA 0.078 4.417 4.340 -0.001 0.000 0.279 340 L C -1.382 175.352 176.870 -0.227 0.000 1.227 340 L CA -0.897 53.804 54.840 -0.232 0.000 0.900 340 L CB -0.159 41.793 42.059 -0.180 0.000 1.144 340 L HN 0.611 nan 8.230 nan 0.000 0.496 341 P HA 0.059 nan 4.420 nan 0.000 0.272 341 P C -0.423 176.787 177.300 -0.150 0.000 1.230 341 P CA -0.517 62.439 63.100 -0.241 0.000 0.788 341 P CB 0.814 32.291 31.700 -0.370 0.000 0.949 342 S N 0.797 116.452 115.700 -0.075 0.000 2.579 342 S HA 0.074 4.543 4.470 -0.001 0.000 0.275 342 S C 1.005 175.581 174.600 -0.040 0.000 1.345 342 S CA -0.352 57.818 58.200 -0.049 0.000 1.031 342 S CB 0.153 63.339 63.200 -0.023 0.000 0.892 342 S HN 0.240 nan 8.310 nan 0.000 0.529 343 L N 1.426 122.630 121.223 -0.032 0.000 2.416 343 L HA 0.288 4.627 4.340 -0.001 0.000 0.216 343 L C 1.771 178.640 176.870 -0.002 0.000 1.098 343 L CA 1.360 56.187 54.840 -0.022 0.000 0.840 343 L CB -1.525 40.519 42.059 -0.025 0.000 0.981 343 L HN 0.992 nan 8.230 nan 0.000 0.462 344 E N -0.157 120.043 120.200 -0.001 0.000 2.415 344 E HA 0.386 4.735 4.350 -0.001 0.000 0.263 344 E C 1.398 178.008 176.600 0.016 0.000 0.995 344 E CA 0.375 56.779 56.400 0.006 0.000 0.915 344 E CB -0.582 29.120 29.700 0.004 0.000 0.951 344 E HN 0.530 nan 8.360 nan 0.000 0.449 345 G N 1.371 110.182 108.800 0.018 0.000 2.199 345 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.254 345 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.254 345 G C 0.544 175.467 174.900 0.038 0.000 0.982 345 G CA 0.170 45.286 45.100 0.026 0.000 0.632 345 G HN 0.799 nan 8.290 nan 0.000 0.529 346 L N 1.993 123.242 121.223 0.043 0.000 2.426 346 L HA 0.316 4.655 4.340 -0.001 0.000 0.271 346 L C 1.102 178.005 176.870 0.056 0.000 1.169 346 L CA -0.129 54.751 54.840 0.067 0.000 0.836 346 L CB 0.513 42.617 42.059 0.075 0.000 1.112 346 L HN 0.120 nan 8.230 nan 0.000 0.465 347 T N 2.467 117.064 114.554 0.071 0.000 2.902 347 T HA 0.190 4.539 4.350 -0.001 0.000 0.301 347 T C 0.088 174.813 174.700 0.041 0.000 1.012 347 T CA -0.334 61.791 62.100 0.043 0.000 1.151 347 T CB 0.794 69.690 68.868 0.046 0.000 0.946 347 T HN 0.245 nan 8.240 nan 0.000 0.542 348 V N 5.395 125.298 119.914 -0.019 0.000 2.459 348 V HA 0.487 4.607 4.120 -0.001 0.000 0.295 348 V C 0.228 176.225 176.094 -0.162 0.000 1.029 348 V CA -0.856 61.419 62.300 -0.042 0.000 0.874 348 V CB 1.579 33.380 31.823 -0.036 0.000 0.985 348 V HN 0.741 nan 8.190 nan 0.000 0.438 349 R N 3.536 123.880 120.500 -0.260 0.000 2.534 349 R HA 0.524 4.863 4.340 -0.001 0.000 0.301 349 R C -0.900 175.188 176.300 -0.353 0.000 0.961 349 R CA -0.850 54.953 56.100 -0.495 0.000 0.871 349 R CB 2.378 32.017 30.300 -1.102 0.000 1.170 349 R HN 0.571 nan 8.270 nan 0.000 0.446 350 K N 3.317 123.554 120.400 -0.272 0.000 2.227 350 K HA 0.308 4.628 4.320 -0.001 0.000 0.280 350 K C -0.733 175.756 176.600 -0.185 0.000 1.041 350 K CA -0.634 55.545 56.287 -0.181 0.000 0.905 350 K CB 1.003 33.431 32.500 -0.121 0.000 1.068 350 K HN 0.178 nan 8.250 nan 0.000 0.470 351 L N 3.353 124.473 121.223 -0.172 0.000 2.353 351 L HA 0.205 4.544 4.340 -0.001 0.000 0.270 351 L C -0.354 176.438 176.870 -0.130 0.000 1.003 351 L CA -0.493 54.261 54.840 -0.143 0.000 0.862 351 L CB 1.320 43.263 42.059 -0.193 0.000 1.221 351 L HN 0.452 nan 8.230 nan 0.000 0.430 352 Q N 3.379 123.137 119.800 -0.070 0.000 2.337 352 Q HA 0.509 4.848 4.340 -0.001 0.000 0.255 352 Q C -1.021 174.958 176.000 -0.035 0.000 0.997 352 Q CA 0.001 55.773 55.803 -0.052 0.000 0.925 352 Q CB 0.686 29.407 28.738 -0.028 0.000 1.212 352 Q HN 0.545 nan 8.270 nan 0.000 0.436 353 L N 2.786 123.971 121.223 -0.063 0.000 2.371 353 L HA 0.620 4.959 4.340 -0.001 0.000 0.272 353 L C 0.142 176.971 176.870 -0.069 0.000 1.124 353 L CA -0.565 54.228 54.840 -0.079 0.000 0.816 353 L CB 0.901 42.835 42.059 -0.209 0.000 1.129 353 L HN 0.790 nan 8.230 nan 0.000 0.448 354 S N 2.686 118.358 115.700 -0.047 0.000 2.565 354 S HA 0.750 5.219 4.470 -0.001 0.000 0.269 354 S C -1.037 173.565 174.600 0.003 0.000 1.153 354 S CA -1.063 57.132 58.200 -0.008 0.000 0.835 354 S CB 1.901 65.111 63.200 0.016 0.000 1.122 354 S HN 0.543 nan 8.310 nan 0.000 0.462 355 M N 2.097 121.712 119.600 0.026 0.000 2.393 355 M HA 0.420 4.900 4.480 -0.001 0.000 0.316 355 M C -0.871 175.467 176.300 0.064 0.000 1.087 355 M CA -0.655 54.668 55.300 0.039 0.000 0.937 355 M CB 1.695 34.312 32.600 0.028 0.000 1.668 355 M HN 0.806 nan 8.290 nan 0.000 0.438 356 D N 4.153 124.617 120.400 0.105 0.000 2.586 356 D HA -0.015 4.624 4.640 -0.001 0.000 0.234 356 D C -1.718 174.605 176.300 0.038 0.000 1.132 356 D CA -0.534 53.528 54.000 0.103 0.000 0.860 356 D CB 1.216 42.150 40.800 0.224 0.000 1.159 356 D HN 0.309 nan 8.370 nan 0.000 0.490 357 P HA -0.121 nan 4.420 nan 0.000 0.218 357 P C 1.673 178.919 177.300 -0.090 0.000 1.149 357 P CA 0.889 63.972 63.100 -0.029 0.000 0.817 357 P CB 0.049 31.733 31.700 -0.028 0.000 0.785 358 M N -1.178 118.304 119.600 -0.196 0.000 2.149 358 M HA -0.155 4.324 4.480 -0.001 0.000 0.261 358 M C 1.947 178.017 176.300 -0.383 0.000 1.064 358 M CA 1.651 56.704 55.300 -0.412 0.000 1.102 358 M CB -0.633 31.493 32.600 -0.791 0.000 1.369 358 M HN -0.103 nan 8.290 nan 0.000 0.408 359 L N -0.094 121.028 121.223 -0.169 0.000 2.012 359 L HA -0.294 4.046 4.340 -0.001 0.000 0.210 359 L C 1.815 178.726 176.870 0.070 0.000 1.073 359 L CA 1.901 56.832 54.840 0.152 0.000 0.748 359 L CB -0.762 41.480 42.059 0.305 0.000 0.891 359 L HN 0.324 nan 8.230 nan 0.000 0.431 360 D N -0.498 119.922 120.400 0.034 0.000 2.123 360 D HA -0.240 4.399 4.640 -0.001 0.000 0.196 360 D C 2.401 178.710 176.300 0.015 0.000 0.992 360 D CA 2.172 56.192 54.000 0.033 0.000 0.833 360 D CB -0.029 40.787 40.800 0.027 0.000 0.954 360 D HN 0.383 nan 8.370 nan 0.000 0.455 361 M N -0.188 119.402 119.600 -0.017 0.000 2.064 361 M HA -0.001 4.478 4.480 -0.001 0.000 0.260 361 M C 2.466 178.760 176.300 -0.010 0.000 1.073 361 M CA 1.425 56.712 55.300 -0.021 0.000 1.124 361 M CB -1.358 31.214 32.600 -0.047 0.000 1.326 361 M HN 0.001 nan 8.290 nan 0.000 0.410 362 M N 0.388 119.978 119.600 -0.018 0.000 2.213 362 M HA -0.032 4.448 4.480 -0.001 0.000 0.263 362 M C 2.413 178.728 176.300 0.024 0.000 1.062 362 M CA 1.562 56.867 55.300 0.010 0.000 1.105 362 M CB -0.825 31.797 32.600 0.036 0.000 1.385 362 M HN 0.654 nan 8.290 nan 0.000 0.417 363 G N 0.006 108.826 108.800 0.033 0.000 2.394 363 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.214 363 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.214 363 G C 1.427 176.356 174.900 0.047 0.000 1.176 363 G CA 0.385 45.508 45.100 0.037 0.000 0.786 363 G HN 0.254 nan 8.290 nan 0.000 0.533 364 M N 0.723 120.347 119.600 0.041 0.000 2.144 364 M HA -0.059 4.420 4.480 -0.001 0.000 0.260 364 M C 3.108 179.432 176.300 0.040 0.000 1.067 364 M CA 2.423 57.745 55.300 0.038 0.000 1.095 364 M CB -0.391 32.224 32.600 0.024 0.000 1.365 364 M HN 0.412 nan 8.290 nan 0.000 0.406 365 Q N -0.699 119.119 119.800 0.030 0.000 2.049 365 Q HA -0.116 4.223 4.340 -0.001 0.000 0.198 365 Q C 1.991 178.011 176.000 0.034 0.000 0.971 365 Q CA 1.839 57.658 55.803 0.027 0.000 0.833 365 Q CB -0.996 27.751 28.738 0.015 0.000 0.896 365 Q HN 0.598 nan 8.270 nan 0.000 0.434 366 M N -0.339 119.280 119.600 0.032 0.000 2.202 366 M HA -0.094 4.385 4.480 -0.001 0.000 0.262 366 M C 2.326 178.662 176.300 0.061 0.000 1.063 366 M CA 1.441 56.757 55.300 0.027 0.000 1.097 366 M CB -0.175 32.430 32.600 0.008 0.000 1.382 366 M HN 0.508 nan 8.290 nan 0.000 0.413 367 L N 0.089 121.377 121.223 0.109 0.000 2.109 367 L HA -0.150 4.189 4.340 -0.001 0.000 0.207 367 L C 2.226 179.229 176.870 0.221 0.000 1.086 367 L CA 1.457 56.429 54.840 0.220 0.000 0.760 367 L CB -0.313 41.856 42.059 0.184 0.000 0.910 367 L HN 0.213 nan 8.230 nan 0.000 0.437 368 M N -0.485 119.187 119.600 0.121 0.000 2.099 368 M HA -0.132 4.347 4.480 -0.001 0.000 0.262 368 M C 2.525 178.865 176.300 0.067 0.000 1.067 368 M CA 1.930 57.286 55.300 0.093 0.000 1.124 368 M CB -1.419 31.214 32.600 0.055 0.000 1.353 368 M HN 0.461 nan 8.290 nan 0.000 0.410 369 E N 1.361 121.583 120.200 0.038 0.000 2.070 369 E HA -0.276 4.073 4.350 -0.001 0.000 0.197 369 E C 2.001 178.584 176.600 -0.028 0.000 1.004 369 E CA 2.270 58.673 56.400 0.005 0.000 0.805 369 E CB -0.865 28.832 29.700 -0.005 0.000 0.744 369 E HN 0.638 nan 8.360 nan 0.000 0.451 370 K N -2.150 118.217 120.400 -0.055 0.000 2.116 370 K HA -0.015 4.304 4.320 -0.001 0.000 0.203 370 K C 1.407 177.819 176.600 -0.312 0.000 1.052 370 K CA 1.351 57.497 56.287 -0.234 0.000 0.952 370 K CB -0.041 32.236 32.500 -0.372 0.000 0.729 370 K HN 0.496 nan 8.250 nan 0.000 0.446 371 Y N -0.592 119.720 120.300 0.019 0.000 2.432 371 Y HA 0.271 4.818 4.550 -0.006 0.000 0.252 371 Y C 0.954 176.867 175.900 0.023 0.000 1.097 371 Y CA 0.179 58.297 58.100 0.030 0.000 1.250 371 Y CB 1.221 39.717 38.460 0.060 0.000 1.245 371 Y HN 0.287 nan 8.280 nan 0.000 0.522 372 G N 1.142 110.029 108.800 0.145 0.000 2.601 372 G HA2 -0.427 3.532 3.960 -0.001 0.000 0.252 372 G HA3 -0.427 3.532 3.960 -0.001 0.000 0.252 372 G C 0.760 175.713 174.900 0.088 0.000 1.294 372 G CA 0.479 45.633 45.100 0.091 0.000 0.912 372 G HN 0.354 nan 8.290 nan 0.000 0.574 373 D N -0.643 119.791 120.400 0.056 0.000 2.269 373 D HA 0.034 4.673 4.640 -0.001 0.000 0.208 373 D C 2.275 178.591 176.300 0.026 0.000 0.963 373 D CA 2.037 56.058 54.000 0.035 0.000 0.864 373 D CB -0.284 40.529 40.800 0.022 0.000 0.936 373 D HN 0.842 nan 8.370 nan 0.000 0.505 374 Q N -0.683 119.138 119.800 0.036 0.000 2.291 374 Q HA 0.009 4.348 4.340 -0.001 0.000 0.206 374 Q C 2.387 178.373 176.000 -0.024 0.000 0.976 374 Q CA 1.027 56.837 55.803 0.011 0.000 0.875 374 Q CB -0.194 28.561 28.738 0.028 0.000 0.927 374 Q HN 0.524 nan 8.270 nan 0.000 0.450 375 A N 0.048 122.861 122.820 -0.011 0.000 2.125 375 A HA -0.118 4.202 4.320 -0.001 0.000 0.219 375 A C 1.542 179.076 177.584 -0.084 0.000 1.156 375 A CA 1.020 53.015 52.037 -0.069 0.000 0.671 375 A CB -0.052 18.955 19.000 0.013 0.000 0.794 375 A HN 0.383 nan 8.150 nan 0.000 0.459 376 M N -0.720 118.851 119.600 -0.049 0.000 2.405 376 M HA 0.331 4.810 4.480 -0.001 0.000 0.292 376 M C 0.724 176.993 176.300 -0.051 0.000 1.111 376 M CA -0.345 54.926 55.300 -0.048 0.000 0.979 376 M CB -0.891 31.696 32.600 -0.022 0.000 1.426 376 M HN 0.335 nan 8.290 nan 0.000 0.509 377 A N 0.056 122.841 122.820 -0.058 0.000 2.425 377 A HA 0.508 4.828 4.320 -0.001 0.000 0.242 377 A C 1.491 179.037 177.584 -0.063 0.000 1.077 377 A CA 0.936 52.942 52.037 -0.052 0.000 0.781 377 A CB -0.205 18.767 19.000 -0.048 0.000 1.020 377 A HN 0.855 nan 8.150 nan 0.000 0.494 378 G N -0.241 108.529 108.800 -0.050 0.000 2.328 378 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.256 378 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.256 378 G C 0.462 175.335 174.900 -0.045 0.000 1.014 378 G CA 0.922 45.991 45.100 -0.051 0.000 0.620 378 G HN 0.654 nan 8.290 nan 0.000 0.530 403 D N 5.719 125.885 120.400 -0.389 0.000 2.411 403 D HA 0.232 4.871 4.640 -0.001 0.000 0.225 403 D C 0.692 176.523 176.300 -0.781 0.000 1.156 403 D CA -0.354 53.370 54.000 -0.460 0.000 0.874 403 D CB 0.111 40.821 40.800 -0.151 0.000 1.034 403 D HN 0.346 nan 8.370 nan 0.000 0.502 404 F N 1.388 120.834 119.950 -0.839 0.000 2.811 404 F HA 0.188 4.715 4.527 0.000 0.000 0.301 404 F C 1.359 176.934 175.800 -0.376 0.000 1.151 404 F CA -0.063 57.504 58.000 -0.722 0.000 1.412 404 F CB -0.400 38.280 39.000 -0.534 0.000 1.113 404 F HN 0.382 nan 8.300 nan 0.000 0.579 405 H N -0.160 118.504 119.070 -0.676 0.000 2.559 405 H HA 0.036 4.592 4.556 0.001 0.000 0.273 405 H C 0.283 175.212 175.328 -0.667 0.000 1.000 405 H CA 1.300 56.969 56.048 -0.631 0.000 1.195 405 H CB -0.166 29.169 29.762 -0.712 0.000 1.368 405 H HN 0.568 nan 8.280 nan 0.000 0.592 406 H N -1.648 117.432 119.070 0.016 0.000 2.777 406 H HA 0.329 4.884 4.556 -0.002 0.000 0.244 406 H C 1.328 176.709 175.328 0.088 0.000 1.185 406 H CA 0.326 56.415 56.048 0.067 0.000 0.945 406 H CB 0.865 30.659 29.762 0.053 0.000 1.994 406 H HN 0.203 nan 8.280 nan 0.000 0.638 407 A N 0.084 122.997 122.820 0.156 0.000 2.123 407 A HA 0.032 4.351 4.320 -0.001 0.000 0.214 407 A C 0.792 178.477 177.584 0.168 0.000 1.152 407 A CA 0.333 52.501 52.037 0.218 0.000 0.728 407 A CB 0.145 19.342 19.000 0.327 0.000 0.814 407 A HN 0.214 nan 8.150 nan 0.000 0.464 408 N N 0.586 119.365 118.700 0.131 0.000 2.405 408 N HA 0.535 5.274 4.740 -0.001 0.000 0.299 408 N C -1.007 174.574 175.510 0.117 0.000 1.075 408 N CA -0.042 53.059 53.050 0.084 0.000 0.884 408 N CB 1.461 39.974 38.487 0.044 0.000 1.194 408 N HN 0.227 nan 8.380 nan 0.000 0.491 409 K N 1.040 121.495 120.400 0.093 0.000 2.532 409 K HA 0.574 4.894 4.320 -0.001 0.000 0.265 409 K C -0.926 175.736 176.600 0.102 0.000 0.948 409 K CA -0.482 55.872 56.287 0.112 0.000 0.842 409 K CB 2.308 34.865 32.500 0.095 0.000 1.392 409 K HN 0.368 nan 8.250 nan 0.000 0.436 410 I N 2.508 123.156 120.570 0.130 0.000 2.406 410 I HA 0.242 4.412 4.170 -0.001 0.000 0.290 410 I C -0.353 175.817 176.117 0.088 0.000 0.999 410 I CA -0.739 60.631 61.300 0.118 0.000 1.124 410 I CB 1.522 39.635 38.000 0.187 0.000 1.289 410 I HN 0.644 nan 8.210 nan 0.000 0.441 411 N N 4.817 123.547 118.700 0.051 0.000 2.735 411 N HA -0.188 4.551 4.740 -0.001 0.000 0.248 411 N C 0.873 176.407 175.510 0.040 0.000 1.083 411 N CA 1.362 54.433 53.050 0.036 0.000 0.703 411 N CB -0.999 37.512 38.487 0.040 0.000 1.005 411 N HN 1.177 nan 8.380 nan 0.000 0.550 412 G N -1.079 107.748 108.800 0.045 0.000 2.155 412 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.257 412 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.257 412 G C -0.123 174.811 174.900 0.056 0.000 0.983 412 G CA 0.754 45.881 45.100 0.046 0.000 0.676 412 G HN 0.574 nan 8.290 nan 0.000 0.528 413 Q N -0.259 119.585 119.800 0.072 0.000 2.330 413 Q HA 0.707 5.046 4.340 -0.001 0.000 0.269 413 Q C 0.331 176.406 176.000 0.125 0.000 1.022 413 Q CA -0.016 55.835 55.803 0.079 0.000 0.796 413 Q CB 1.734 30.510 28.738 0.063 0.000 1.271 413 Q HN 0.830 nan 8.270 nan 0.000 0.450 414 A N 2.350 125.254 122.820 0.140 0.000 2.445 414 A HA 0.173 4.492 4.320 -0.001 0.000 0.242 414 A C -0.460 177.265 177.584 0.236 0.000 1.075 414 A CA -0.206 51.962 52.037 0.218 0.000 0.777 414 A CB 0.040 19.212 19.000 0.287 0.000 1.013 414 A HN 0.757 nan 8.150 nan 0.000 0.493 415 F N 2.162 122.204 119.950 0.153 0.000 2.612 415 F HA 0.076 4.601 4.527 -0.003 0.000 0.389 415 F C 0.335 176.211 175.800 0.127 0.000 1.055 415 F CA 0.429 58.507 58.000 0.130 0.000 1.232 415 F CB 0.266 39.350 39.000 0.139 0.000 1.044 415 F HN 0.595 nan 8.300 nan 0.000 0.560 416 D N 6.974 127.021 120.400 -0.588 0.000 2.381 416 D HA 0.097 4.736 4.640 -0.001 0.000 0.235 416 D C 0.798 176.469 176.300 -1.048 0.000 1.068 416 D CA -0.421 53.169 54.000 -0.684 0.000 0.832 416 D CB 1.604 42.215 40.800 -0.315 0.000 1.101 416 D HN 0.824 nan 8.370 nan 0.000 0.515 417 M N 3.306 122.279 119.600 -1.045 0.000 2.358 417 M HA -0.109 4.370 4.480 -0.001 0.000 0.264 417 M C 0.649 176.741 176.300 -0.347 0.000 1.064 417 M CA 1.512 56.399 55.300 -0.689 0.000 1.093 417 M CB 0.050 32.414 32.600 -0.393 0.000 1.401 417 M HN 0.308 nan 8.290 nan 0.000 0.440 418 N N -0.661 117.854 118.700 -0.309 0.000 2.236 418 N HA 0.083 4.822 4.740 -0.001 0.000 0.196 418 N C -0.493 174.916 175.510 -0.168 0.000 1.114 418 N CA 0.103 53.030 53.050 -0.204 0.000 0.859 418 N CB 0.542 38.924 38.487 -0.174 0.000 0.982 418 N HN 0.002 nan 8.380 nan 0.000 0.493 419 K N 1.694 121.982 120.400 -0.188 0.000 2.579 419 K HA 0.308 4.627 4.320 -0.001 0.000 0.225 419 K C -2.829 173.705 176.600 -0.110 0.000 0.992 419 K CA -1.748 54.461 56.287 -0.130 0.000 1.018 419 K CB 1.625 34.056 32.500 -0.115 0.000 1.249 419 K HN -0.089 nan 8.250 nan 0.000 0.489 420 P HA 0.087 nan 4.420 nan 0.000 0.268 420 P C 0.482 177.729 177.300 -0.089 0.000 1.205 420 P CA -0.053 62.995 63.100 -0.086 0.000 0.771 420 P CB 0.721 32.367 31.700 -0.090 0.000 0.858 421 M N 2.640 122.142 119.600 -0.163 0.000 2.506 421 M HA 0.130 4.609 4.480 -0.001 0.000 0.260 421 M C -0.594 175.714 176.300 0.014 0.000 1.104 421 M CA 1.060 56.298 55.300 -0.104 0.000 1.112 421 M CB 0.014 32.554 32.600 -0.101 0.000 1.401 421 M HN 0.402 nan 8.290 nan 0.000 0.473 422 F N -2.847 117.140 119.950 0.061 0.000 2.878 422 F HA 0.634 5.159 4.527 -0.002 0.000 0.322 422 F C -1.707 174.160 175.800 0.112 0.000 1.154 422 F CA -1.819 56.206 58.000 0.042 0.000 0.896 422 F CB 0.059 39.039 39.000 -0.033 0.000 1.313 422 F HN -0.276 nan 8.300 nan 0.000 0.451 423 A N 1.343 124.407 122.820 0.407 0.000 2.276 423 A HA 0.900 5.219 4.320 -0.001 0.000 0.316 423 A C -0.296 177.565 177.584 0.461 0.000 1.229 423 A CA -0.153 52.096 52.037 0.353 0.000 0.851 423 A CB 0.344 19.460 19.000 0.192 0.000 1.165 423 A HN 1.723 nan 8.150 nan 0.000 0.513 424 A N 1.930 125.078 122.820 0.546 0.000 2.293 424 A HA 0.735 5.054 4.320 -0.001 0.000 0.302 424 A C 0.746 178.546 177.584 0.361 0.000 1.119 424 A CA 0.063 52.388 52.037 0.480 0.000 0.823 424 A CB 0.352 19.725 19.000 0.621 0.000 1.097 424 A HN 2.123 nan 8.150 nan 0.000 0.491 425 A N 1.398 124.415 122.820 0.329 0.000 2.483 425 A HA 0.375 4.694 4.320 -0.001 0.000 0.238 425 A C 0.529 178.298 177.584 0.309 0.000 1.070 425 A CA 0.068 52.261 52.037 0.260 0.000 0.770 425 A CB 0.035 19.158 19.000 0.204 0.000 1.008 425 A HN 0.767 nan 8.150 nan 0.000 0.497 426 K N 0.841 121.371 120.400 0.217 0.000 2.258 426 K HA 0.411 4.730 4.320 -0.001 0.000 0.284 426 K C 0.983 177.654 176.600 0.118 0.000 1.051 426 K CA 0.826 57.227 56.287 0.191 0.000 0.923 426 K CB 0.483 33.060 32.500 0.129 0.000 1.046 426 K HN 1.525 nan 8.250 nan 0.000 0.474 427 G N 3.125 111.972 108.800 0.078 0.000 2.153 427 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.252 427 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.252 427 G C -0.379 174.506 174.900 -0.026 0.000 0.994 427 G CA 0.192 45.283 45.100 -0.014 0.000 0.698 427 G HN 0.614 nan 8.290 nan 0.000 0.521 428 Q N -1.019 118.786 119.800 0.009 0.000 2.304 428 Q HA 0.511 4.851 4.340 -0.001 0.000 0.270 428 Q C -0.728 175.292 176.000 0.034 0.000 1.035 428 Q CA -1.054 54.771 55.803 0.035 0.000 0.781 428 Q CB 1.659 30.456 28.738 0.097 0.000 1.261 428 Q HN 0.263 nan 8.270 nan 0.000 0.444 429 Y N 1.621 121.956 120.300 0.059 0.000 2.712 429 Y HA -0.036 4.513 4.550 -0.002 0.000 0.333 429 Y C 0.549 176.492 175.900 0.070 0.000 1.225 429 Y CA 0.903 59.026 58.100 0.037 0.000 1.499 429 Y CB 0.539 39.017 38.460 0.029 0.000 1.288 429 Y HN 0.450 nan 8.280 nan 0.000 0.575 430 E N 2.482 122.836 120.200 0.257 0.000 2.336 430 E HA 0.427 4.776 4.350 -0.001 0.000 0.267 430 E C -0.863 175.874 176.600 0.230 0.000 0.906 430 E CA -1.299 55.260 56.400 0.265 0.000 0.781 430 E CB 2.171 32.128 29.700 0.428 0.000 1.261 430 E HN 0.387 nan 8.360 nan 0.000 0.436 431 R N 1.958 122.598 120.500 0.232 0.000 2.215 431 R HA 0.212 4.551 4.340 -0.001 0.000 0.336 431 R C -1.354 175.144 176.300 0.331 0.000 0.996 431 R CA -0.608 55.603 56.100 0.185 0.000 0.847 431 R CB 0.525 30.874 30.300 0.081 0.000 1.127 431 R HN 0.386 nan 8.270 nan 0.000 0.465 432 W N 3.786 125.027 121.300 -0.098 0.000 2.361 432 W HA 0.292 4.951 4.660 -0.002 0.000 0.309 432 W C -0.287 176.143 176.519 -0.149 0.000 1.122 432 W CA -0.672 56.595 57.345 -0.130 0.000 1.208 432 W CB 1.279 30.667 29.460 -0.120 0.000 1.246 432 W HN 0.108 nan 8.180 nan 0.000 0.490 433 V N 6.453 126.385 119.914 0.030 0.000 2.313 433 V HA 0.329 4.448 4.120 -0.001 0.000 0.278 433 V C -0.245 175.791 176.094 -0.096 0.000 1.017 433 V CA -0.784 61.494 62.300 -0.037 0.000 0.823 433 V CB 0.378 32.173 31.823 -0.047 0.000 1.010 433 V HN 0.238 nan 8.190 nan 0.000 0.443 434 I N 4.082 124.576 120.570 -0.128 0.000 2.362 434 I HA 0.465 4.634 4.170 -0.001 0.000 0.289 434 I C 0.283 176.318 176.117 -0.137 0.000 0.994 434 I CA 0.176 61.335 61.300 -0.235 0.000 1.158 434 I CB 1.894 39.602 38.000 -0.486 0.000 1.315 434 I HN 0.532 nan 8.210 nan 0.000 0.451 435 S N 3.672 119.304 115.700 -0.113 0.000 2.454 435 S HA 0.668 5.137 4.470 -0.001 0.000 0.306 435 S C 0.661 175.249 174.600 -0.020 0.000 1.100 435 S CA -0.479 57.693 58.200 -0.047 0.000 1.087 435 S CB 1.264 64.442 63.200 -0.037 0.000 1.019 435 S HN 0.827 nan 8.310 nan 0.000 0.480 436 G N 3.177 112.001 108.800 0.041 0.000 3.605 436 G HA2 0.297 4.256 3.960 -0.001 0.000 0.277 436 G HA3 0.297 4.256 3.960 -0.001 0.000 0.277 436 G C -0.014 174.937 174.900 0.086 0.000 1.093 436 G CA -0.149 45.011 45.100 0.101 0.000 0.821 436 G HN 0.650 nan 8.290 nan 0.000 0.532 437 V N 0.733 120.674 119.914 0.045 0.000 2.585 437 V HA 0.453 4.572 4.120 -0.001 0.000 0.296 437 V C 1.603 177.720 176.094 0.038 0.000 1.035 437 V CA 1.609 63.931 62.300 0.037 0.000 1.084 437 V CB 0.824 32.659 31.823 0.019 0.000 0.953 437 V HN 0.768 nan 8.190 nan 0.000 0.483 438 G N 3.852 112.676 108.800 0.041 0.000 2.176 438 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.232 438 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.232 438 G C -0.222 174.711 174.900 0.054 0.000 0.986 438 G CA 0.331 45.454 45.100 0.038 0.000 0.643 438 G HN 1.094 nan 8.290 nan 0.000 0.522 439 D N -3.468 116.981 120.400 0.082 0.000 2.626 439 D HA 0.771 5.410 4.640 -0.001 0.000 0.278 439 D C 0.864 177.228 176.300 0.106 0.000 1.211 439 D CA 0.202 54.264 54.000 0.102 0.000 0.903 439 D CB 0.499 41.381 40.800 0.136 0.000 1.408 439 D HN 0.822 nan 8.370 nan 0.000 0.454 440 M N -0.097 119.553 119.600 0.084 0.000 2.313 440 M HA 0.366 4.845 4.480 -0.001 0.000 0.273 440 M C 0.291 176.595 176.300 0.007 0.000 1.049 440 M CA 0.104 55.428 55.300 0.040 0.000 1.004 440 M CB -0.264 32.352 32.600 0.025 0.000 1.461 440 M HN 0.459 nan 8.290 nan 0.000 0.514 441 M N 1.047 120.651 119.600 0.006 0.000 2.247 441 M HA 0.605 5.084 4.480 -0.001 0.000 0.326 441 M C -0.307 175.770 176.300 -0.372 0.000 1.134 441 M CA -1.488 53.735 55.300 -0.129 0.000 1.136 441 M CB 0.919 33.516 32.600 -0.005 0.000 1.454 441 M HN 0.387 nan 8.290 nan 0.000 0.467 442 L N 3.631 124.667 121.223 -0.311 0.000 2.319 442 L HA 0.231 4.570 4.340 -0.001 0.000 0.280 442 L C -0.734 175.930 176.870 -0.345 0.000 1.099 442 L CA 0.471 55.160 54.840 -0.252 0.000 0.828 442 L CB 0.033 42.023 42.059 -0.116 0.000 1.150 442 L HN 0.438 nan 8.230 nan 0.000 0.442 443 H N 5.199 124.381 119.070 0.187 0.000 2.866 443 H HA 0.341 4.895 4.556 -0.003 0.000 0.287 443 H C -2.442 173.048 175.328 0.270 0.000 1.106 443 H CA -2.147 54.056 56.048 0.259 0.000 1.396 443 H CB 0.978 30.928 29.762 0.314 0.000 1.469 443 H HN 0.466 nan 8.280 nan 0.000 0.500 444 P HA 0.046 nan 4.420 nan 0.000 0.277 444 P C -0.279 177.271 177.300 0.417 0.000 1.354 444 P CA -0.082 63.216 63.100 0.331 0.000 0.891 444 P CB -0.342 31.507 31.700 0.249 0.000 1.058 445 F N 4.588 124.723 119.950 0.308 0.000 2.420 445 F HA 0.373 4.899 4.527 -0.003 0.000 0.352 445 F C 0.362 176.380 175.800 0.362 0.000 1.108 445 F CA -0.176 58.005 58.000 0.300 0.000 1.162 445 F CB 0.545 39.691 39.000 0.244 0.000 1.118 445 F HN 0.325 nan 8.300 nan 0.000 0.510 446 H N 5.894 124.743 119.070 -0.367 0.000 2.572 446 H HA 0.649 5.204 4.556 -0.002 0.000 0.359 446 H C -1.431 173.777 175.328 -0.200 0.000 1.134 446 H CA -0.908 55.079 56.048 -0.101 0.000 1.187 446 H CB 1.309 31.046 29.762 -0.041 0.000 1.597 446 H HN 0.589 nan 8.280 nan 0.000 0.524 447 I N 4.866 125.179 120.570 -0.428 0.000 2.466 447 I HA 0.225 4.394 4.170 -0.001 0.000 0.289 447 I C 0.041 176.045 176.117 -0.188 0.000 1.026 447 I CA -0.660 60.571 61.300 -0.114 0.000 1.078 447 I CB 1.597 39.700 38.000 0.172 0.000 1.249 447 I HN 0.591 nan 8.210 nan 0.000 0.429 448 H N 3.642 122.621 119.070 -0.152 0.000 2.603 448 H HA 0.257 4.812 4.556 -0.002 0.000 0.370 448 H C 1.070 176.287 175.328 -0.186 0.000 1.225 448 H CA 0.506 56.489 56.048 -0.109 0.000 1.410 448 H CB 1.266 31.030 29.762 0.003 0.000 1.495 448 H HN 0.956 nan 8.280 nan 0.000 0.602 449 G N 0.995 109.694 108.800 -0.168 0.000 2.157 449 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.248 449 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.248 449 G C 0.287 175.171 174.900 -0.028 0.000 0.979 449 G CA 0.484 45.346 45.100 -0.396 0.000 0.650 449 G HN 0.811 nan 8.290 nan 0.000 0.529 450 T N -0.386 114.149 114.554 -0.031 0.000 2.942 450 T HA 0.552 4.901 4.350 -0.001 0.000 0.327 450 T C -1.732 172.891 174.700 -0.128 0.000 1.360 450 T CA -0.457 61.577 62.100 -0.109 0.000 1.055 450 T CB 1.684 70.395 68.868 -0.263 0.000 1.261 450 T HN 0.125 nan 8.240 nan 0.000 0.485 451 Q N 3.304 122.987 119.800 -0.195 0.000 2.333 451 Q HA 0.493 4.832 4.340 -0.001 0.000 0.265 451 Q C -0.723 175.312 176.000 0.058 0.000 0.989 451 Q CA -0.455 55.233 55.803 -0.190 0.000 0.842 451 Q CB 1.294 29.845 28.738 -0.311 0.000 1.262 451 Q HN 0.653 nan 8.270 nan 0.000 0.451 452 F N -0.014 120.064 119.950 0.214 0.000 2.585 452 F HA 0.752 5.278 4.527 -0.002 0.000 0.350 452 F C -0.134 175.826 175.800 0.266 0.000 1.074 452 F CA -1.355 56.778 58.000 0.221 0.000 1.032 452 F CB 0.824 39.827 39.000 0.005 0.000 1.330 452 F HN 0.078 nan 8.300 nan 0.000 0.495 453 R N 1.563 122.382 120.500 0.532 0.000 2.437 453 R HA 0.476 4.815 4.340 -0.001 0.000 0.310 453 R C -0.905 175.552 176.300 0.261 0.000 0.955 453 R CA -0.703 55.542 56.100 0.241 0.000 0.851 453 R CB 1.587 31.874 30.300 -0.021 0.000 1.161 453 R HN 0.765 nan 8.270 nan 0.000 0.446 454 I N 4.072 124.786 120.570 0.241 0.000 2.452 454 I HA -0.078 4.091 4.170 -0.001 0.000 0.287 454 I C 1.448 177.591 176.117 0.043 0.000 1.079 454 I CA -0.049 61.342 61.300 0.152 0.000 1.387 454 I CB 0.793 38.897 38.000 0.173 0.000 1.404 454 I HN 0.418 nan 8.210 nan 0.000 0.522 455 L N 6.322 127.551 121.223 0.009 0.000 2.221 455 L HA 0.180 4.519 4.340 -0.001 0.000 0.202 455 L C 0.810 177.675 176.870 -0.008 0.000 1.074 455 L CA 1.105 55.935 54.840 -0.016 0.000 0.795 455 L CB 0.148 42.189 42.059 -0.031 0.000 0.960 455 L HN 0.707 nan 8.230 nan 0.000 0.458 456 S N -1.070 114.631 115.700 0.001 0.000 2.540 456 S HA 0.554 5.023 4.470 -0.001 0.000 0.275 456 S C -0.752 173.863 174.600 0.024 0.000 1.123 456 S CA -0.696 57.509 58.200 0.008 0.000 0.907 456 S CB 1.703 64.904 63.200 0.002 0.000 1.081 456 S HN 0.218 nan 8.310 nan 0.000 0.476 457 E N 1.486 121.706 120.200 0.033 0.000 2.145 457 E HA 0.388 4.737 4.350 -0.001 0.000 0.262 457 E C -0.497 176.131 176.600 0.047 0.000 0.883 457 E CA -0.443 55.989 56.400 0.053 0.000 0.748 457 E CB 0.479 30.219 29.700 0.066 0.000 1.140 457 E HN 0.758 nan 8.360 nan 0.000 0.417 458 N N 3.825 122.556 118.700 0.051 0.000 2.707 458 N HA -0.265 4.474 4.740 -0.001 0.000 0.253 458 N C 0.422 175.952 175.510 0.032 0.000 0.998 458 N CA 1.827 54.905 53.050 0.047 0.000 0.751 458 N CB -1.014 37.508 38.487 0.059 0.000 0.920 458 N HN 0.916 nan 8.380 nan 0.000 0.539 459 G N -2.000 106.814 108.800 0.023 0.000 2.195 459 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.224 459 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.224 459 G C -0.105 174.802 174.900 0.011 0.000 0.990 459 G CA 0.418 45.527 45.100 0.015 0.000 0.639 459 G HN 0.552 nan 8.290 nan 0.000 0.514 460 K N 0.306 120.714 120.400 0.013 0.000 2.443 460 K HA 0.537 4.856 4.320 -0.001 0.000 0.251 460 K C -2.996 173.608 176.600 0.008 0.000 0.972 460 K CA -2.224 54.068 56.287 0.009 0.000 0.833 460 K CB 2.622 35.128 32.500 0.010 0.000 1.317 460 K HN -0.096 nan 8.250 nan 0.000 0.441 461 P HA 0.007 nan 4.420 nan 0.000 0.266 461 P C -2.405 174.895 177.300 -0.000 0.000 1.193 461 P CA -0.702 62.397 63.100 -0.002 0.000 0.770 461 P CB -0.319 31.376 31.700 -0.007 0.000 0.836 462 P HA 0.039 nan 4.420 nan 0.000 0.269 462 P C -0.367 176.916 177.300 -0.028 0.000 1.209 462 P CA 0.008 63.102 63.100 -0.009 0.000 0.776 462 P CB 0.354 32.051 31.700 -0.004 0.000 0.876 463 A N 2.892 125.681 122.820 -0.051 0.000 2.547 463 A HA 0.237 4.556 4.320 -0.001 0.000 0.233 463 A C 1.836 179.374 177.584 -0.076 0.000 1.067 463 A CA 0.496 52.500 52.037 -0.055 0.000 0.763 463 A CB -0.539 18.415 19.000 -0.076 0.000 1.007 463 A HN 0.640 nan 8.150 nan 0.000 0.506 464 A N 1.117 123.944 122.820 0.011 0.000 1.917 464 A HA -0.219 4.100 4.320 -0.001 0.000 0.219 464 A C 1.789 179.402 177.584 0.047 0.000 1.182 464 A CA 2.031 54.086 52.037 0.030 0.000 0.633 464 A CB -1.023 18.013 19.000 0.059 0.000 0.819 464 A HN 1.181 nan 8.150 nan 0.000 0.448 465 H N -1.179 117.909 119.070 0.031 0.000 2.555 465 H HA 0.145 4.700 4.556 -0.002 0.000 0.269 465 H C 1.230 176.675 175.328 0.195 0.000 0.988 465 H CA 1.047 57.141 56.048 0.076 0.000 1.178 465 H CB -0.226 29.527 29.762 -0.016 0.000 1.373 465 H HN 0.552 nan 8.280 nan 0.000 0.588 466 R N 0.251 120.582 120.500 -0.281 0.000 2.432 466 R HA 0.373 4.712 4.340 -0.001 0.000 0.260 466 R C 1.372 177.664 176.300 -0.013 0.000 0.935 466 R CA 0.455 56.500 56.100 -0.092 0.000 1.080 466 R CB 0.736 30.935 30.300 -0.169 0.000 1.155 466 R HN 0.256 nan 8.270 nan 0.000 0.531 467 A N 0.695 123.497 122.820 -0.030 0.000 2.308 467 A HA 0.280 4.599 4.320 -0.001 0.000 0.217 467 A C 1.199 178.724 177.584 -0.098 0.000 1.216 467 A CA 0.300 52.310 52.037 -0.046 0.000 0.864 467 A CB 0.177 19.146 19.000 -0.051 0.000 0.902 467 A HN 0.319 nan 8.150 nan 0.000 0.499 468 G N -1.071 107.680 108.800 -0.082 0.000 2.783 468 G HA2 0.333 4.292 3.960 -0.001 0.000 0.182 468 G HA3 0.333 4.292 3.960 -0.001 0.000 0.182 468 G C -0.627 174.159 174.900 -0.190 0.000 1.516 468 G CA -0.873 44.110 45.100 -0.195 0.000 1.079 468 G HN 0.439 nan 8.290 nan 0.000 0.573 469 W N 1.521 122.817 121.300 -0.008 0.000 2.387 469 W HA 0.488 5.147 4.660 -0.002 0.000 0.310 469 W C 0.193 176.627 176.519 -0.142 0.000 1.181 469 W CA -0.572 56.738 57.345 -0.059 0.000 1.333 469 W CB 0.909 30.340 29.460 -0.048 0.000 1.286 469 W HN -0.055 nan 8.180 nan 0.000 0.455 470 K N 2.204 122.606 120.400 0.004 0.000 2.385 470 K HA 0.199 4.518 4.320 -0.001 0.000 0.248 470 K C -0.089 175.989 176.600 -0.869 0.000 0.955 470 K CA -0.629 55.489 56.287 -0.281 0.000 0.816 470 K CB 2.034 34.452 32.500 -0.137 0.000 1.250 470 K HN 0.489 nan 8.250 nan 0.000 0.434 471 D N -1.512 118.560 120.400 -0.547 0.000 2.503 471 D HA 0.081 4.720 4.640 -0.001 0.000 0.218 471 D C -0.520 175.878 176.300 0.163 0.000 1.183 471 D CA -0.058 53.671 54.000 -0.451 0.000 0.827 471 D CB 0.646 41.487 40.800 0.068 0.000 1.034 471 D HN 0.238 nan 8.370 nan 0.000 0.510 472 T N -0.021 114.647 114.554 0.189 0.000 2.916 472 T HA 0.562 4.911 4.350 -0.001 0.000 0.298 472 T C -1.489 173.522 174.700 0.518 0.000 1.031 472 T CA -0.768 61.611 62.100 0.464 0.000 0.993 472 T CB 2.506 71.550 68.868 0.294 0.000 1.045 472 T HN -0.044 nan 8.240 nan 0.000 0.454 473 V N 2.818 123.064 119.914 0.552 0.000 2.709 473 V HA 0.597 4.716 4.120 -0.001 0.000 0.308 473 V C -0.558 175.731 176.094 0.325 0.000 1.062 473 V CA -0.992 61.555 62.300 0.411 0.000 0.901 473 V CB 1.896 33.929 31.823 0.351 0.000 1.003 473 V HN 0.833 nan 8.190 nan 0.000 0.425 474 K N 4.337 124.881 120.400 0.240 0.000 2.368 474 K HA 0.506 4.825 4.320 -0.001 0.000 0.282 474 K C -1.342 175.371 176.600 0.190 0.000 1.035 474 K CA -0.139 56.269 56.287 0.202 0.000 0.973 474 K CB 1.046 33.632 32.500 0.144 0.000 0.957 474 K HN 0.563 nan 8.250 nan 0.000 0.474 475 V N 4.586 124.632 119.914 0.220 0.000 2.482 475 V HA 0.247 4.366 4.120 -0.001 0.000 0.295 475 V C -0.907 175.317 176.094 0.217 0.000 1.026 475 V CA -0.606 61.816 62.300 0.203 0.000 0.856 475 V CB 1.459 33.417 31.823 0.224 0.000 1.001 475 V HN 0.920 nan 8.190 nan 0.000 0.424 476 E N 3.641 123.929 120.200 0.147 0.000 2.759 476 E HA 0.473 4.823 4.350 -0.001 0.000 0.318 476 E C 0.732 177.383 176.600 0.085 0.000 1.093 476 E CA 0.409 56.871 56.400 0.102 0.000 0.762 476 E CB 0.845 30.571 29.700 0.043 0.000 1.543 476 E HN 1.015 nan 8.360 nan 0.000 0.381 477 G N 3.146 112.014 108.800 0.112 0.000 2.196 477 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.268 477 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.268 477 G C 0.242 175.177 174.900 0.058 0.000 0.975 477 G CA 0.764 45.911 45.100 0.078 0.000 0.648 477 G HN 0.540 nan 8.290 nan 0.000 0.538 478 N N -1.613 117.124 118.700 0.062 0.000 3.455 478 N HA 0.681 5.420 4.740 -0.001 0.000 0.358 478 N C -0.777 174.756 175.510 0.038 0.000 1.580 478 N CA 0.218 53.293 53.050 0.042 0.000 0.692 478 N CB 1.806 40.314 38.487 0.035 0.000 1.978 478 N HN 0.189 nan 8.380 nan 0.000 0.651 479 V N 0.600 120.528 119.914 0.023 0.000 2.656 479 V HA 0.571 4.690 4.120 -0.001 0.000 0.307 479 V C -0.431 175.669 176.094 0.009 0.000 1.051 479 V CA -0.610 61.695 62.300 0.007 0.000 0.893 479 V CB 1.505 33.325 31.823 -0.005 0.000 0.999 479 V HN 0.588 nan 8.190 nan 0.000 0.426 480 S N 2.448 118.147 115.700 -0.001 0.000 2.638 480 S HA 0.726 5.195 4.470 -0.001 0.000 0.302 480 S C -0.912 173.675 174.600 -0.022 0.000 1.096 480 S CA -0.824 57.378 58.200 0.003 0.000 0.953 480 S CB 2.229 65.447 63.200 0.031 0.000 1.107 480 S HN 0.795 nan 8.310 nan 0.000 0.503 481 E N 1.192 121.379 120.200 -0.022 0.000 2.274 481 E HA 0.519 4.868 4.350 -0.001 0.000 0.269 481 E C -1.466 175.097 176.600 -0.063 0.000 0.891 481 E CA -0.599 55.782 56.400 -0.032 0.000 0.784 481 E CB 1.896 31.585 29.700 -0.019 0.000 1.225 481 E HN 0.488 nan 8.360 nan 0.000 0.412 482 V N 1.131 120.971 119.914 -0.123 0.000 2.769 482 V HA 0.630 4.749 4.120 -0.001 0.000 0.312 482 V C -0.780 175.228 176.094 -0.142 0.000 1.061 482 V CA -0.959 61.205 62.300 -0.226 0.000 0.931 482 V CB 1.520 32.882 31.823 -0.769 0.000 1.010 482 V HN 0.548 nan 8.190 nan 0.000 0.433 483 L N 4.150 125.339 121.223 -0.057 0.000 2.265 483 L HA 0.726 5.065 4.340 -0.001 0.000 0.289 483 L C -0.361 176.598 176.870 0.147 0.000 1.033 483 L CA -0.580 54.272 54.840 0.019 0.000 0.814 483 L CB 1.494 43.503 42.059 -0.084 0.000 1.203 483 L HN 0.623 nan 8.230 nan 0.000 0.423 484 V N 4.583 124.530 119.914 0.054 0.000 2.656 484 V HA 0.554 4.673 4.120 -0.001 0.000 0.307 484 V C -0.860 175.023 176.094 -0.351 0.000 1.051 484 V CA -0.507 61.661 62.300 -0.220 0.000 0.893 484 V CB 2.397 33.780 31.823 -0.733 0.000 0.999 484 V HN 0.805 nan 8.190 nan 0.000 0.426 485 K N 5.120 125.160 120.400 -0.599 0.000 2.427 485 K HA 0.630 4.949 4.320 -0.001 0.000 0.252 485 K C -1.991 174.192 176.600 -0.693 0.000 0.931 485 K CA -0.500 55.402 56.287 -0.641 0.000 0.793 485 K CB 1.690 33.676 32.500 -0.857 0.000 1.211 485 K HN 0.507 nan 8.250 nan 0.000 0.426 486 F N 3.385 123.314 119.950 -0.034 0.000 2.375 486 F HA 0.343 4.869 4.527 -0.002 0.000 0.361 486 F C 0.830 176.627 175.800 -0.005 0.000 1.117 486 F CA -0.884 57.143 58.000 0.044 0.000 1.037 486 F CB 1.438 40.567 39.000 0.214 0.000 1.192 486 F HN 0.526 nan 8.300 nan 0.000 0.452 487 N N 1.642 120.370 118.700 0.046 0.000 2.398 487 N HA -0.001 4.738 4.740 -0.001 0.000 0.188 487 N C -0.111 175.090 175.510 -0.516 0.000 1.122 487 N CA 0.397 53.301 53.050 -0.244 0.000 0.866 487 N CB 0.001 38.271 38.487 -0.362 0.000 0.970 487 N HN 0.570 nan 8.380 nan 0.000 0.462 488 H N -0.425 118.768 119.070 0.205 0.000 2.985 488 H HA 0.169 4.724 4.556 -0.002 0.000 0.360 488 H C -0.651 174.820 175.328 0.239 0.000 1.221 488 H CA -0.777 55.384 56.048 0.189 0.000 1.121 488 H CB 1.866 31.733 29.762 0.177 0.000 1.854 488 H HN 0.099 nan 8.280 nan 0.000 0.551 489 D N 0.207 120.742 120.400 0.224 0.000 2.253 489 D HA 0.515 5.154 4.640 -0.001 0.000 0.249 489 D C -0.577 175.640 176.300 -0.139 0.000 1.049 489 D CA -0.889 53.153 54.000 0.069 0.000 0.929 489 D CB 2.219 43.040 40.800 0.034 0.000 1.176 489 D HN 0.556 nan 8.370 nan 0.000 0.437 490 A N 2.130 124.778 122.820 -0.286 0.000 2.530 490 A HA 0.477 4.796 4.320 -0.001 0.000 0.279 490 A C -2.842 174.562 177.584 -0.300 0.000 1.109 490 A CA -1.146 50.587 52.037 -0.507 0.000 0.763 490 A CB 1.662 19.893 19.000 -1.281 0.000 1.257 490 A HN 0.461 nan 8.150 nan 0.000 0.424 491 P HA 0.200 nan 4.420 nan 0.000 0.276 491 P C 0.463 177.680 177.300 -0.139 0.000 1.261 491 P CA -0.418 62.614 63.100 -0.113 0.000 0.800 491 P CB 0.930 32.597 31.700 -0.055 0.000 1.066 492 K N 0.492 120.822 120.400 -0.117 0.000 2.211 492 K HA -0.180 4.139 4.320 -0.001 0.000 0.204 492 K C 1.117 177.611 176.600 -0.177 0.000 1.047 492 K CA 1.703 57.910 56.287 -0.133 0.000 0.935 492 K CB -0.517 31.920 32.500 -0.104 0.000 0.728 492 K HN 0.269 nan 8.250 nan 0.000 0.452 493 E N 0.356 120.434 120.200 -0.204 0.000 2.358 493 E HA -0.014 4.335 4.350 -0.001 0.000 0.195 493 E C 0.128 176.306 176.600 -0.702 0.000 1.010 493 E CA 0.727 56.902 56.400 -0.375 0.000 0.856 493 E CB 0.183 29.688 29.700 -0.324 0.000 0.795 493 E HN 0.406 nan 8.360 nan 0.000 0.504 494 H N -0.894 118.095 119.070 -0.135 0.000 2.597 494 H HA 0.476 5.031 4.556 -0.002 0.000 0.225 494 H C -0.631 174.540 175.328 -0.262 0.000 1.422 494 H CA -0.482 55.471 56.048 -0.158 0.000 1.335 494 H CB 0.047 29.727 29.762 -0.137 0.000 1.783 494 H HN 0.046 nan 8.280 nan 0.000 0.513 495 A N 0.791 123.488 122.820 -0.205 0.000 2.346 495 A HA 0.347 4.666 4.320 -0.001 0.000 0.252 495 A C -0.549 176.803 177.584 -0.387 0.000 1.089 495 A CA -0.153 51.680 52.037 -0.340 0.000 0.797 495 A CB 0.390 19.243 19.000 -0.244 0.000 1.047 495 A HN 0.303 nan 8.150 nan 0.000 0.494 496 Y N 0.435 120.375 120.300 -0.600 0.000 2.304 496 Y HA 0.365 4.914 4.550 -0.002 0.000 0.327 496 Y C 0.772 176.328 175.900 -0.572 0.000 1.209 496 Y CA -0.479 57.218 58.100 -0.671 0.000 1.299 496 Y CB 0.707 38.468 38.460 -1.165 0.000 1.249 496 Y HN 0.422 nan 8.280 nan 0.000 0.519 497 M N 2.337 121.702 119.600 -0.392 0.000 2.363 497 M HA 0.602 5.081 4.480 -0.001 0.000 0.343 497 M C -0.432 175.839 176.300 -0.048 0.000 1.165 497 M CA -0.882 54.178 55.300 -0.399 0.000 1.046 497 M CB 1.320 33.393 32.600 -0.879 0.000 1.648 497 M HN 0.691 nan 8.290 nan 0.000 0.452 498 A N 2.992 125.942 122.820 0.217 0.000 2.343 498 A HA 0.816 5.135 4.320 -0.001 0.000 0.316 498 A C -0.998 176.588 177.584 0.003 0.000 1.104 498 A CA -0.469 51.666 52.037 0.164 0.000 0.768 498 A CB 0.626 19.976 19.000 0.582 0.000 1.213 498 A HN 1.055 nan 8.150 nan 0.000 0.456 499 H N -1.288 117.462 119.070 -0.533 0.000 3.037 499 H HA 0.525 5.080 4.556 -0.002 0.000 0.336 499 H C -0.762 174.398 175.328 -0.279 0.000 1.323 499 H CA -0.719 55.169 56.048 -0.267 0.000 1.159 499 H CB 0.396 30.112 29.762 -0.076 0.000 1.882 499 H HN 0.788 nan 8.280 nan 0.000 0.535 500 C N 2.505 121.936 119.300 0.218 0.000 2.648 500 C HA 0.080 4.540 4.460 -0.001 0.000 0.419 500 C C 1.180 176.407 174.990 0.395 0.000 1.352 500 C CA 0.045 59.277 59.018 0.356 0.000 1.816 500 C CB -0.917 27.123 27.740 0.500 0.000 2.598 500 C HN 1.005 nan 8.230 nan 0.000 0.598 501 H N 4.068 123.293 119.070 0.258 0.000 2.517 501 H HA 0.202 4.756 4.556 -0.002 0.000 0.282 501 H C 0.420 175.869 175.328 0.201 0.000 1.023 501 H CA 0.138 56.355 56.048 0.282 0.000 1.169 501 H CB 0.103 30.011 29.762 0.244 0.000 1.454 501 H HN 0.696 nan 8.280 nan 0.000 0.556 502 L N 1.845 123.221 121.223 0.256 0.000 2.407 502 L HA 0.032 4.371 4.340 -0.001 0.000 0.282 502 L C 0.897 177.815 176.870 0.080 0.000 1.110 502 L CA -0.212 54.675 54.840 0.079 0.000 0.863 502 L CB 0.324 42.278 42.059 -0.175 0.000 1.207 502 L HN 0.217 nan 8.230 nan 0.000 0.454 503 L N 3.056 124.336 121.223 0.095 0.000 2.093 503 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 503 L C 1.856 178.782 176.870 0.094 0.000 1.085 503 L CA 0.924 55.799 54.840 0.058 0.000 0.755 503 L CB -0.145 41.938 42.059 0.039 0.000 0.904 503 L HN 0.682 nan 8.230 nan 0.000 0.435 504 E N -0.851 119.433 120.200 0.141 0.000 2.204 504 E HA -0.167 4.182 4.350 -0.001 0.000 0.194 504 E C 1.965 178.734 176.600 0.282 0.000 0.989 504 E CA 0.920 57.436 56.400 0.193 0.000 0.824 504 E CB -0.210 29.610 29.700 0.199 0.000 0.756 504 E HN 0.552 nan 8.360 nan 0.000 0.477 505 H N -0.372 118.794 119.070 0.160 0.000 2.363 505 H HA -0.033 4.522 4.556 -0.002 0.000 0.301 505 H C 2.056 177.470 175.328 0.144 0.000 1.074 505 H CA 0.940 57.095 56.048 0.178 0.000 1.354 505 H CB 0.254 30.167 29.762 0.251 0.000 1.397 505 H HN 0.196 nan 8.280 nan 0.000 0.516 506 E N 0.990 121.339 120.200 0.249 0.000 2.038 506 E HA -0.206 4.143 4.350 -0.001 0.000 0.195 506 E C 1.421 178.042 176.600 0.034 0.000 1.000 506 E CA 1.473 57.937 56.400 0.106 0.000 0.803 506 E CB 0.095 29.791 29.700 -0.007 0.000 0.750 506 E HN 0.407 nan 8.360 nan 0.000 0.448 507 D N -0.282 120.134 120.400 0.027 0.000 2.218 507 D HA -0.117 4.522 4.640 -0.001 0.000 0.204 507 D C 1.611 177.910 176.300 -0.001 0.000 0.976 507 D CA 1.698 55.685 54.000 -0.021 0.000 0.853 507 D CB -0.155 40.655 40.800 0.016 0.000 0.939 507 D HN 0.331 nan 8.370 nan 0.000 0.481 508 T N -3.869 110.729 114.554 0.072 0.000 3.176 508 T HA 0.510 4.859 4.350 -0.001 0.000 0.263 508 T C 1.277 176.030 174.700 0.088 0.000 1.021 508 T CA 0.274 62.404 62.100 0.050 0.000 0.905 508 T CB 0.861 69.793 68.868 0.106 0.000 1.057 508 T HN 0.151 nan 8.240 nan 0.000 0.558 509 G N 1.516 110.399 108.800 0.139 0.000 2.421 509 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.188 509 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.188 509 G C 0.201 175.238 174.900 0.229 0.000 1.001 509 G CA -0.179 45.053 45.100 0.220 0.000 0.693 509 G HN 0.499 nan 8.290 nan 0.000 0.479 510 M N 1.509 121.228 119.600 0.198 0.000 3.596 510 M HA 0.698 5.177 4.480 -0.001 0.000 0.212 510 M C 0.015 176.458 176.300 0.239 0.000 1.519 510 M CA 0.388 55.820 55.300 0.219 0.000 1.670 510 M CB -0.378 32.360 32.600 0.231 0.000 1.113 510 M HN 0.408 nan 8.290 nan 0.000 0.565 511 M N 3.366 123.098 119.600 0.221 0.000 2.413 511 M HA 0.532 5.011 4.480 -0.001 0.000 0.287 511 M C -2.132 174.325 176.300 0.262 0.000 1.186 511 M CA -0.870 54.505 55.300 0.124 0.000 0.927 511 M CB 1.887 34.311 32.600 -0.293 0.000 1.715 511 M HN 0.360 nan 8.290 nan 0.000 0.478 512 L N 1.677 123.046 121.223 0.244 0.000 2.354 512 L HA 1.125 5.464 4.340 -0.001 0.000 0.264 512 L C -0.417 176.605 176.870 0.253 0.000 1.008 512 L CA -0.377 54.649 54.840 0.310 0.000 0.819 512 L CB 1.679 43.857 42.059 0.198 0.000 1.339 512 L HN 0.641 nan 8.230 nan 0.000 0.420 513 G N 0.593 109.562 108.800 0.281 0.000 2.410 513 G HA2 0.727 4.686 3.960 -0.001 0.000 0.330 513 G HA3 0.727 4.686 3.960 -0.001 0.000 0.330 513 G C -1.310 173.599 174.900 0.015 0.000 1.142 513 G CA -0.502 44.685 45.100 0.144 0.000 0.902 513 G HN 0.967 nan 8.290 nan 0.000 0.491 514 F N -0.568 119.259 119.950 -0.205 0.000 2.654 514 F HA 0.770 5.296 4.527 -0.002 0.000 0.308 514 F C -0.174 175.542 175.800 -0.139 0.000 1.108 514 F CA -1.166 56.637 58.000 -0.328 0.000 0.957 514 F CB 1.301 39.941 39.000 -0.599 0.000 1.309 514 F HN 0.703 nan 8.300 nan 0.000 0.446 515 T N 0.135 114.662 114.554 -0.044 0.000 2.952 515 T HA 0.903 5.252 4.350 -0.001 0.000 0.286 515 T C -0.816 173.917 174.700 0.055 0.000 1.024 515 T CA -0.609 61.420 62.100 -0.117 0.000 1.029 515 T CB 1.802 70.634 68.868 -0.061 0.000 1.094 515 T HN 0.800 nan 8.240 nan 0.000 0.515 516 V N 0.000 119.903 119.914 -0.018 0.000 2.409 516 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 516 V CA 0.000 62.361 62.300 0.103 0.000 1.235 516 V CB 0.000 31.931 31.823 0.180 0.000 1.184 516 V HN 0.000 nan 8.190 nan 0.000 0.556