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 1z5h_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEVEKYDLTL DFDIQKRTFN GTETITADAG DIVLDAVGLQ INWMKVNGRD DATA SEQUENCE TAFTYDGQTV RAPGDSQPQK IEISFAGKVS DSLSGIYYAG RENGMITTHF DATA SEQUENCE EATDARRMFP CVDHPAYKAV FAITVVIDKD YDAISNMPPK RIEVSERKVV DATA SEQUENCE EFQDTPRMST YLLYVGIGKF RYEYEKYRDI DLILASLKDI RSKYPLDMAR DATA SEQUENCE KSVEFYENYF GIPYALPKMH LISVPEFGAG AMENWGAITF REIYMDIAEN DATA SEQUENCE SAVTVKRNSA NVIAHEIAHQ WFGDLVTMKW WNDLWLNESF ATFMSYKTMD DATA SEQUENCE TLFPEWSFWG DFFVSRTSGA LRSDSLKNTH PIEVDVRDPD EISQIFDEIS DATA SEQUENCE YGKGASILRM IEDYAGYEEF RKGISKYLND HKFGNAEGSD LWTAIEDVSG DATA SEQUENCE KPVKRVMEYW IKNPGYPVIK LKRNGRKITM YQTRFLLNGE EEGRWPVPVN DATA SEQUENCE IKKKDGVERI LLEDEASIEA DGLIKINADS AGFYRVLYDD ATFSDVMGHY DATA SEQUENCE RDLSPLDRIG LVDDLFAFLL SGHIDPETYR QRIRNFFDDE DHNVITAIVG DATA SEQUENCE QMEYLRMLTH AFDDDARAFC RSRMQFLTGK QDENLKIALG RVSRLYVMVD DATA SEQUENCE ESYAEEMSKL FKDFDSAEPE MRSSIATAYA LVTGDLKGLL EKFRSVDRDE DATA SEQUENCE DRVRIISAFG KLKSNTDLST VYGMVEKTEI KKQDMISFFS SALETLPGRE DATA SEQUENCE FIFANLDRII RLVIRYFTGN RTASRTVEMM IPVIGLDHPD AEDIVRNIGS DATA SEQUENCE KNISMGLAKG IEMLAVNRKL VERIRQTAVK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.375 176.300 0.125 0.000 1.140 1 M CA 0.000 55.319 55.300 0.032 0.000 0.988 1 M CB 0.000 32.609 32.600 0.015 0.000 1.302 2 E N 1.543 121.836 120.200 0.155 0.000 2.417 2 E HA 0.479 4.829 4.350 0.001 0.000 0.261 2 E C -0.844 175.790 176.600 0.057 0.000 1.000 2 E CA 0.144 56.633 56.400 0.150 0.000 0.919 2 E CB 0.626 30.364 29.700 0.063 0.000 0.955 2 E HN 0.489 nan 8.360 nan 0.000 0.455 3 V N 2.981 122.927 119.914 0.053 0.000 2.680 3 V HA 0.127 4.248 4.120 0.001 0.000 0.309 3 V C 1.239 177.272 176.094 -0.101 0.000 1.052 3 V CA -0.562 61.684 62.300 -0.090 0.000 0.908 3 V CB 1.904 33.601 31.823 -0.210 0.000 1.001 3 V HN 0.750 nan 8.190 nan 0.000 0.431 4 E N 3.416 123.520 120.200 -0.160 0.000 2.162 4 E HA 0.177 4.527 4.350 0.001 0.000 0.193 4 E C 0.611 177.107 176.600 -0.173 0.000 0.953 4 E CA 0.332 56.656 56.400 -0.126 0.000 0.849 4 E CB 0.610 30.251 29.700 -0.097 0.000 0.810 4 E HN 0.600 nan 8.360 nan 0.000 0.470 5 K N -0.632 119.612 120.400 -0.261 0.000 2.532 5 K HA 0.291 4.611 4.320 0.001 0.000 0.265 5 K C -2.092 174.302 176.600 -0.344 0.000 0.948 5 K CA -0.707 55.435 56.287 -0.241 0.000 0.842 5 K CB 1.574 33.999 32.500 -0.124 0.000 1.392 5 K HN -0.036 nan 8.250 nan 0.000 0.436 6 Y N 1.244 121.410 120.300 -0.224 0.000 2.332 6 Y HA 0.226 4.777 4.550 0.001 0.000 0.326 6 Y C -0.783 175.113 175.900 -0.007 0.000 0.978 6 Y CA -0.782 57.267 58.100 -0.086 0.000 1.205 6 Y CB 1.835 40.267 38.460 -0.047 0.000 1.131 6 Y HN 0.473 nan 8.280 nan 0.000 0.462 7 D N 4.375 124.863 120.400 0.147 0.000 2.473 7 D HA 0.256 4.897 4.640 0.001 0.000 0.226 7 D C -1.510 174.860 176.300 0.118 0.000 1.089 7 D CA -0.250 53.816 54.000 0.110 0.000 0.883 7 D CB 1.025 41.866 40.800 0.068 0.000 1.029 7 D HN 0.454 nan 8.370 nan 0.000 0.517 8 L N 2.841 124.121 121.223 0.096 0.000 2.341 8 L HA 0.530 4.870 4.340 0.001 0.000 0.278 8 L C -0.759 176.133 176.870 0.037 0.000 1.005 8 L CA -0.134 54.739 54.840 0.056 0.000 0.818 8 L CB 2.140 44.143 42.059 -0.092 0.000 1.259 8 L HN 0.063 nan 8.230 nan 0.000 0.418 9 T N 6.180 120.750 114.554 0.027 0.000 2.807 9 T HA 0.623 4.974 4.350 0.001 0.000 0.279 9 T C -0.658 174.005 174.700 -0.062 0.000 0.993 9 T CA -0.312 61.790 62.100 0.004 0.000 0.970 9 T CB 1.014 69.880 68.868 -0.002 0.000 0.950 9 T HN 0.449 nan 8.240 nan 0.000 0.441 10 L N 3.101 124.292 121.223 -0.053 0.000 2.356 10 L HA 0.508 4.848 4.340 0.001 0.000 0.277 10 L C -0.520 176.246 176.870 -0.173 0.000 0.996 10 L CA -0.938 53.773 54.840 -0.215 0.000 0.822 10 L CB 1.767 43.638 42.059 -0.314 0.000 1.256 10 L HN 0.544 nan 8.230 nan 0.000 0.413 11 D N 3.561 123.816 120.400 -0.242 0.000 2.441 11 D HA 0.330 4.970 4.640 0.001 0.000 0.231 11 D C -0.891 175.327 176.300 -0.137 0.000 1.073 11 D CA -0.283 53.664 54.000 -0.089 0.000 0.850 11 D CB 0.768 41.530 40.800 -0.064 0.000 1.062 11 D HN 0.037 nan 8.370 nan 0.000 0.524 12 F N 1.551 121.533 119.950 0.055 0.000 2.377 12 F HA 0.255 4.783 4.527 0.001 0.000 0.328 12 F C 1.180 176.989 175.800 0.015 0.000 1.094 12 F CA -0.689 57.356 58.000 0.076 0.000 1.093 12 F CB 1.014 40.040 39.000 0.042 0.000 1.214 12 F HN 0.164 nan 8.300 nan 0.000 0.518 13 D N 2.547 123.070 120.400 0.206 0.000 2.434 13 D HA 0.234 4.874 4.640 0.001 0.000 0.275 13 D C 0.938 177.285 176.300 0.079 0.000 1.172 13 D CA -0.191 53.860 54.000 0.084 0.000 0.916 13 D CB 0.411 41.234 40.800 0.038 0.000 1.041 13 D HN 0.317 nan 8.370 nan 0.000 0.501 14 I N 2.225 122.807 120.570 0.021 0.000 2.145 14 I HA -0.364 3.806 4.170 0.001 0.000 0.244 14 I C 2.273 178.360 176.117 -0.050 0.000 1.075 14 I CA 1.521 62.795 61.300 -0.044 0.000 1.332 14 I CB -0.352 37.491 38.000 -0.261 0.000 1.033 14 I HN 0.323 nan 8.210 nan 0.000 0.410 15 Q N 0.485 120.253 119.800 -0.053 0.000 2.050 15 Q HA -0.136 4.204 4.340 0.001 0.000 0.202 15 Q C 1.987 177.958 176.000 -0.049 0.000 0.980 15 Q CA 1.424 57.196 55.803 -0.052 0.000 0.840 15 Q CB -0.353 28.366 28.738 -0.031 0.000 0.898 15 Q HN 0.351 nan 8.270 nan 0.000 0.424 16 K N 0.307 120.694 120.400 -0.022 0.000 2.487 16 K HA 0.102 4.422 4.320 0.001 0.000 0.192 16 K C -0.218 176.382 176.600 0.000 0.000 1.027 16 K CA 0.050 56.328 56.287 -0.015 0.000 1.054 16 K CB 0.447 32.941 32.500 -0.009 0.000 0.824 16 K HN 0.090 nan 8.250 nan 0.000 0.510 17 R N 0.906 121.418 120.500 0.020 0.000 3.333 17 R HA -0.126 4.215 4.340 0.001 0.000 0.256 17 R C 0.020 176.398 176.300 0.129 0.000 1.010 17 R CA 1.177 57.327 56.100 0.084 0.000 0.680 17 R CB -3.062 27.255 30.300 0.029 0.000 1.102 17 R HN 0.521 nan 8.270 nan 0.000 0.440 18 T N -2.647 111.980 114.554 0.122 0.000 2.883 18 T HA 0.886 5.236 4.350 0.001 0.000 0.296 18 T C -0.226 174.511 174.700 0.063 0.000 1.117 18 T CA -0.908 61.196 62.100 0.006 0.000 1.006 18 T CB 2.650 71.468 68.868 -0.084 0.000 1.191 18 T HN 0.336 nan 8.240 nan 0.000 0.508 19 F N -1.215 118.665 119.950 -0.116 0.000 2.619 19 F HA 0.718 5.245 4.527 0.001 0.000 0.308 19 F C -1.357 174.259 175.800 -0.307 0.000 1.097 19 F CA -1.325 56.477 58.000 -0.330 0.000 0.953 19 F CB 1.135 39.689 39.000 -0.742 0.000 1.287 19 F HN 0.666 nan 8.300 nan 0.000 0.446 20 N N 0.323 118.934 118.700 -0.147 0.000 2.392 20 N HA 0.684 5.424 4.740 0.001 0.000 0.283 20 N C -0.684 174.611 175.510 -0.359 0.000 1.003 20 N CA -0.886 52.011 53.050 -0.255 0.000 0.892 20 N CB 2.084 40.455 38.487 -0.193 0.000 1.193 20 N HN 1.058 nan 8.380 nan 0.000 0.487 21 G N 0.440 108.782 108.800 -0.765 0.000 2.481 21 G HA2 0.680 4.641 3.960 0.001 0.000 0.315 21 G HA3 0.680 4.641 3.960 0.001 0.000 0.315 21 G C -1.059 173.185 174.900 -1.094 0.000 1.231 21 G CA -0.286 44.153 45.100 -1.102 0.000 0.968 21 G HN 0.336 nan 8.290 nan 0.000 0.482 22 T N 0.492 114.776 114.554 -0.450 0.000 3.032 22 T HA 0.580 4.931 4.350 0.001 0.000 0.312 22 T C -0.916 173.827 174.700 0.071 0.000 1.078 22 T CA -0.652 61.346 62.100 -0.171 0.000 1.028 22 T CB 1.912 70.701 68.868 -0.133 0.000 1.091 22 T HN 0.847 nan 8.240 nan 0.000 0.457 23 E N 0.559 120.853 120.200 0.157 0.000 2.390 23 E HA 0.693 5.044 4.350 0.001 0.000 0.277 23 E C -1.543 175.130 176.600 0.122 0.000 0.939 23 E CA -1.003 55.503 56.400 0.176 0.000 0.769 23 E CB 1.852 31.726 29.700 0.291 0.000 1.251 23 E HN 0.322 nan 8.360 nan 0.000 0.450 24 T N 2.493 117.109 114.554 0.103 0.000 2.791 24 T HA 0.439 4.790 4.350 0.001 0.000 0.288 24 T C -0.342 174.372 174.700 0.023 0.000 0.999 24 T CA -0.498 61.640 62.100 0.064 0.000 0.952 24 T CB 0.215 69.116 68.868 0.055 0.000 0.938 24 T HN 0.352 nan 8.240 nan 0.000 0.444 25 I N 2.945 123.502 120.570 -0.022 0.000 2.336 25 I HA 0.278 4.449 4.170 0.001 0.000 0.292 25 I C 0.461 176.484 176.117 -0.157 0.000 0.991 25 I CA -0.619 60.584 61.300 -0.161 0.000 1.227 25 I CB 1.435 39.326 38.000 -0.183 0.000 1.366 25 I HN 0.457 nan 8.210 nan 0.000 0.466 26 T N 6.355 120.784 114.554 -0.207 0.000 3.151 26 T HA 0.556 4.907 4.350 0.001 0.000 0.332 26 T C 0.218 174.820 174.700 -0.163 0.000 1.245 26 T CA -0.404 61.610 62.100 -0.143 0.000 1.019 26 T CB 0.294 69.091 68.868 -0.117 0.000 1.109 26 T HN 0.695 nan 8.240 nan 0.000 0.621 27 A N 2.791 125.536 122.820 -0.125 0.000 2.309 27 A HA 0.759 5.080 4.320 0.001 0.000 0.317 27 A C -0.170 177.382 177.584 -0.054 0.000 1.134 27 A CA -0.907 51.070 52.037 -0.100 0.000 0.866 27 A CB 0.808 19.751 19.000 -0.096 0.000 1.329 27 A HN 0.530 nan 8.150 nan 0.000 0.477 28 D N 0.139 120.519 120.400 -0.033 0.000 2.383 28 D HA 0.488 5.129 4.640 0.001 0.000 0.248 28 D C 0.812 177.105 176.300 -0.012 0.000 1.170 28 D CA 0.526 54.515 54.000 -0.019 0.000 0.977 28 D CB 1.239 42.034 40.800 -0.009 0.000 1.120 28 D HN 0.722 nan 8.370 nan 0.000 0.481 29 A N -0.225 122.591 122.820 -0.007 0.000 2.482 29 A HA 0.480 4.801 4.320 0.001 0.000 0.249 29 A C 0.813 178.398 177.584 0.001 0.000 1.114 29 A CA 0.810 52.845 52.037 -0.003 0.000 0.797 29 A CB -0.373 18.626 19.000 -0.001 0.000 1.067 29 A HN 0.840 nan 8.150 nan 0.000 0.514 30 G N -0.283 108.519 108.800 0.004 0.000 2.497 30 G HA2 0.232 4.193 3.960 0.001 0.000 0.686 30 G HA3 0.232 4.193 3.960 0.001 0.000 0.686 30 G C -0.905 174.001 174.900 0.009 0.000 1.288 30 G CA -0.173 44.931 45.100 0.007 0.000 0.899 30 G HN 0.929 nan 8.290 nan 0.000 0.608 31 D N -0.756 119.651 120.400 0.011 0.000 2.346 31 D HA 0.408 5.048 4.640 0.001 0.000 0.236 31 D C 0.888 177.195 176.300 0.012 0.000 1.259 31 D CA 0.542 54.551 54.000 0.015 0.000 0.898 31 D CB 0.483 41.292 40.800 0.016 0.000 1.178 31 D HN 0.518 nan 8.370 nan 0.000 0.457 32 I N 0.801 121.383 120.570 0.020 0.000 2.382 32 I HA 0.297 4.467 4.170 0.001 0.000 0.286 32 I C -0.467 175.659 176.117 0.015 0.000 1.002 32 I CA -0.800 60.509 61.300 0.014 0.000 1.135 32 I CB 1.780 39.795 38.000 0.025 0.000 1.288 32 I HN -0.091 nan 8.210 nan 0.000 0.448 33 V N 8.371 128.283 119.914 -0.004 0.000 2.623 33 V HA 0.670 4.791 4.120 0.001 0.000 0.304 33 V C -1.417 174.659 176.094 -0.029 0.000 1.054 33 V CA -0.242 62.054 62.300 -0.006 0.000 0.882 33 V CB 2.052 33.869 31.823 -0.010 0.000 1.002 33 V HN 0.626 nan 8.190 nan 0.000 0.424 34 L N 5.080 126.286 121.223 -0.028 0.000 2.434 34 L HA 0.657 4.997 4.340 0.001 0.000 0.260 34 L C -0.849 175.988 176.870 -0.055 0.000 0.983 34 L CA -0.844 53.964 54.840 -0.054 0.000 0.820 34 L CB 2.434 44.451 42.059 -0.070 0.000 1.361 34 L HN 0.523 nan 8.230 nan 0.000 0.410 35 D N 1.865 122.214 120.400 -0.086 0.000 2.302 35 D HA 0.578 5.219 4.640 0.001 0.000 0.248 35 D C -0.374 175.849 176.300 -0.127 0.000 1.094 35 D CA 0.020 53.974 54.000 -0.077 0.000 0.897 35 D CB 2.252 42.998 40.800 -0.089 0.000 1.200 35 D HN 0.616 nan 8.370 nan 0.000 0.429 36 A N 1.655 124.452 122.820 -0.039 0.000 2.511 36 A HA 0.406 4.726 4.320 0.001 0.000 0.292 36 A C -1.236 176.423 177.584 0.125 0.000 1.045 36 A CA -0.700 51.306 52.037 -0.052 0.000 0.870 36 A CB 0.814 19.714 19.000 -0.167 0.000 1.361 36 A HN 0.266 nan 8.150 nan 0.000 0.396 37 V N 1.678 121.631 119.914 0.064 0.000 2.540 37 V HA 0.728 4.849 4.120 0.001 0.000 0.302 37 V C 1.306 177.476 176.094 0.126 0.000 1.035 37 V CA 0.647 63.011 62.300 0.107 0.000 0.873 37 V CB 1.258 33.107 31.823 0.042 0.000 0.992 37 V HN 2.387 nan 8.190 nan 0.000 0.428 38 G N 4.070 112.963 108.800 0.156 0.000 2.189 38 G HA2 -0.230 3.730 3.960 0.001 0.000 0.267 38 G HA3 -0.230 3.730 3.960 0.001 0.000 0.267 38 G C 0.095 175.079 174.900 0.140 0.000 0.975 38 G CA 0.556 45.737 45.100 0.135 0.000 0.644 38 G HN 0.558 nan 8.290 nan 0.000 0.537 39 L N -0.017 121.299 121.223 0.155 0.000 2.421 39 L HA 0.518 4.858 4.340 0.001 0.000 0.263 39 L C 0.812 177.711 176.870 0.049 0.000 1.122 39 L CA -0.592 54.294 54.840 0.078 0.000 0.804 39 L CB 1.359 43.412 42.059 -0.010 0.000 1.150 39 L HN 0.271 nan 8.230 nan 0.000 0.457 40 Q N 2.834 122.646 119.800 0.019 0.000 2.400 40 Q HA 0.324 4.665 4.340 0.001 0.000 0.255 40 Q C -1.138 174.834 176.000 -0.046 0.000 1.008 40 Q CA -0.742 55.069 55.803 0.012 0.000 0.841 40 Q CB 1.041 29.782 28.738 0.006 0.000 1.220 40 Q HN 0.413 nan 8.270 nan 0.000 0.474 41 I N 4.599 125.079 120.570 -0.150 0.000 2.337 41 I HA 0.086 4.256 4.170 0.001 0.000 0.291 41 I C 0.693 176.785 176.117 -0.041 0.000 1.046 41 I CA 0.225 61.373 61.300 -0.252 0.000 1.324 41 I CB 0.555 38.178 38.000 -0.629 0.000 1.409 41 I HN 0.809 nan 8.210 nan 0.000 0.494 42 N N 6.864 125.511 118.700 -0.089 0.000 2.178 42 N HA 0.094 4.834 4.740 0.001 0.000 0.189 42 N C -0.121 175.564 175.510 0.292 0.000 1.048 42 N CA 0.846 53.929 53.050 0.056 0.000 0.855 42 N CB 0.214 38.639 38.487 -0.103 0.000 1.028 42 N HN 0.686 nan 8.380 nan 0.000 0.441 43 W N -0.526 120.855 121.300 0.134 0.000 3.042 43 W HA 0.617 5.277 4.660 0.001 0.000 0.342 43 W C -1.653 174.914 176.519 0.079 0.000 1.240 43 W CA -0.750 56.736 57.345 0.234 0.000 1.166 43 W CB 0.834 30.395 29.460 0.169 0.000 1.469 43 W HN -0.172 nan 8.180 nan 0.000 0.579 44 M N 1.758 121.710 119.600 0.586 0.000 2.550 44 M HA 0.526 5.006 4.480 0.001 0.000 0.292 44 M C -1.592 174.974 176.300 0.445 0.000 1.221 44 M CA -0.422 55.093 55.300 0.357 0.000 0.873 44 M CB 2.933 35.636 32.600 0.172 0.000 1.727 44 M HN 0.521 nan 8.290 nan 0.000 0.459 45 K N 2.499 123.103 120.400 0.341 0.000 2.464 45 K HA 0.678 4.999 4.320 0.001 0.000 0.253 45 K C -1.801 174.890 176.600 0.152 0.000 0.933 45 K CA -0.882 55.551 56.287 0.244 0.000 0.801 45 K CB 2.949 35.608 32.500 0.265 0.000 1.271 45 K HN 0.491 nan 8.250 nan 0.000 0.430 46 V N 3.343 123.321 119.914 0.107 0.000 2.407 46 V HA 0.188 4.308 4.120 0.001 0.000 0.291 46 V C -0.113 176.014 176.094 0.054 0.000 1.018 46 V CA -0.988 61.355 62.300 0.072 0.000 0.842 46 V CB 1.150 33.011 31.823 0.063 0.000 0.996 46 V HN 0.872 nan 8.190 nan 0.000 0.426 47 N N 4.014 122.740 118.700 0.044 0.000 2.721 47 N HA -0.224 4.516 4.740 0.001 0.000 0.249 47 N C 1.211 176.741 175.510 0.032 0.000 1.072 47 N CA 1.440 54.509 53.050 0.031 0.000 0.710 47 N CB -1.064 37.436 38.487 0.022 0.000 0.993 47 N HN 1.569 nan 8.380 nan 0.000 0.547 48 G N -0.829 107.998 108.800 0.046 0.000 2.179 48 G HA2 -0.382 3.579 3.960 0.001 0.000 0.260 48 G HA3 -0.382 3.579 3.960 0.001 0.000 0.260 48 G C 0.103 175.017 174.900 0.023 0.000 0.977 48 G CA 0.712 45.833 45.100 0.035 0.000 0.641 48 G HN 0.689 nan 8.290 nan 0.000 0.533 49 R N 0.770 121.290 120.500 0.035 0.000 2.338 49 R HA 0.510 4.850 4.340 0.001 0.000 0.317 49 R C -0.141 176.189 176.300 0.051 0.000 0.968 49 R CA -0.504 55.612 56.100 0.027 0.000 0.849 49 R CB 0.588 30.902 30.300 0.024 0.000 1.128 49 R HN 0.208 nan 8.270 nan 0.000 0.448 50 D N 1.696 122.115 120.400 0.032 0.000 2.506 50 D HA 0.018 4.658 4.640 0.001 0.000 0.234 50 D C -1.028 175.329 176.300 0.096 0.000 1.143 50 D CA 1.117 55.157 54.000 0.068 0.000 0.871 50 D CB 0.742 41.551 40.800 0.015 0.000 1.190 50 D HN 0.445 nan 8.370 nan 0.000 0.459 51 T N 2.108 116.758 114.554 0.160 0.000 2.971 51 T HA 0.617 4.968 4.350 0.001 0.000 0.304 51 T C -0.458 174.364 174.700 0.203 0.000 1.038 51 T CA -0.656 61.535 62.100 0.151 0.000 1.007 51 T CB 1.555 70.511 68.868 0.147 0.000 1.055 51 T HN 0.522 nan 8.240 nan 0.000 0.451 52 A N 2.949 125.831 122.820 0.103 0.000 2.425 52 A HA 0.769 5.090 4.320 0.001 0.000 0.242 52 A C -0.330 177.311 177.584 0.096 0.000 1.077 52 A CA -0.199 51.840 52.037 0.004 0.000 0.781 52 A CB -0.291 18.678 19.000 -0.051 0.000 1.020 52 A HN 0.859 nan 8.150 nan 0.000 0.494 53 F N -1.469 118.522 119.950 0.069 0.000 2.626 53 F HA 0.753 5.280 4.527 0.001 0.000 0.311 53 F C -0.350 175.497 175.800 0.080 0.000 1.088 53 F CA -0.820 57.220 58.000 0.067 0.000 0.949 53 F CB 1.374 40.411 39.000 0.062 0.000 1.322 53 F HN 0.345 nan 8.300 nan 0.000 0.461 54 T N 1.743 116.500 114.554 0.338 0.000 2.797 54 T HA 0.397 4.748 4.350 0.001 0.000 0.279 54 T C -2.081 172.864 174.700 0.409 0.000 0.991 54 T CA -0.369 61.885 62.100 0.257 0.000 0.979 54 T CB 0.891 69.845 68.868 0.143 0.000 0.943 54 T HN 0.615 nan 8.240 nan 0.000 0.444 55 Y N 3.361 123.783 120.300 0.203 0.000 2.333 55 Y HA 0.338 4.888 4.550 0.001 0.000 0.324 55 Y C -0.325 175.629 175.900 0.090 0.000 1.033 55 Y CA -2.269 55.926 58.100 0.158 0.000 1.224 55 Y CB 0.872 39.461 38.460 0.216 0.000 1.120 55 Y HN 0.734 nan 8.280 nan 0.000 0.457 56 D N 2.362 122.611 120.400 -0.251 0.000 2.434 56 D HA 0.282 4.922 4.640 0.001 0.000 0.232 56 D C 1.625 177.609 176.300 -0.526 0.000 1.166 56 D CA 0.476 54.300 54.000 -0.292 0.000 0.830 56 D CB 0.084 40.806 40.800 -0.129 0.000 0.960 56 D HN 0.846 nan 8.370 nan 0.000 0.497 57 G N -0.144 107.915 108.800 -1.235 0.000 2.220 57 G HA2 -0.445 3.516 3.960 0.001 0.000 0.269 57 G HA3 -0.445 3.516 3.960 0.001 0.000 0.269 57 G C 1.058 175.633 174.900 -0.542 0.000 0.977 57 G CA 0.844 45.336 45.100 -1.013 0.000 0.634 57 G HN 0.483 nan 8.290 nan 0.000 0.539 58 Q N -1.379 118.177 119.800 -0.406 0.000 2.459 58 Q HA 0.336 4.677 4.340 0.001 0.000 0.260 58 Q C 0.850 176.894 176.000 0.074 0.000 0.828 58 Q CA 1.490 57.248 55.803 -0.074 0.000 0.987 58 Q CB 1.069 29.766 28.738 -0.069 0.000 1.216 58 Q HN 0.479 nan 8.270 nan 0.000 0.558 59 T N -0.705 113.896 114.554 0.079 0.000 2.906 59 T HA 0.641 4.991 4.350 0.001 0.000 0.295 59 T C -1.750 173.139 174.700 0.314 0.000 1.075 59 T CA -0.575 61.622 62.100 0.162 0.000 1.005 59 T CB 2.098 71.006 68.868 0.067 0.000 1.136 59 T HN -0.052 nan 8.240 nan 0.000 0.498 60 V N 2.330 122.366 119.914 0.203 0.000 2.525 60 V HA 0.676 4.797 4.120 0.001 0.000 0.299 60 V C -1.238 174.919 176.094 0.104 0.000 1.034 60 V CA -0.618 61.791 62.300 0.180 0.000 0.863 60 V CB 1.255 33.066 31.823 -0.021 0.000 0.999 60 V HN 0.786 nan 8.190 nan 0.000 0.423 61 R N 4.682 125.269 120.500 0.145 0.000 2.778 61 R HA 0.968 5.308 4.340 0.001 0.000 0.277 61 R C -0.836 175.550 176.300 0.143 0.000 0.977 61 R CA -0.434 55.730 56.100 0.107 0.000 0.950 61 R CB 2.275 32.626 30.300 0.085 0.000 1.165 61 R HN 0.931 nan 8.270 nan 0.000 0.474 62 A N 2.059 124.943 122.820 0.107 0.000 2.608 62 A HA 0.505 4.825 4.320 0.001 0.000 0.292 62 A C -2.851 174.780 177.584 0.078 0.000 1.066 62 A CA -1.538 50.572 52.037 0.121 0.000 0.676 62 A CB 1.633 20.730 19.000 0.162 0.000 1.277 62 A HN 0.399 nan 8.150 nan 0.000 0.413 63 P HA 0.285 nan 4.420 nan 0.000 0.265 63 P C 0.232 177.560 177.300 0.046 0.000 1.222 63 P CA 0.682 63.812 63.100 0.051 0.000 0.767 63 P CB 0.692 32.421 31.700 0.048 0.000 0.801 64 G N 3.263 112.083 108.800 0.034 0.000 2.350 64 G HA2 0.178 4.139 3.960 0.001 0.000 0.306 64 G HA3 0.178 4.139 3.960 0.001 0.000 0.306 64 G C -0.493 174.420 174.900 0.021 0.000 1.094 64 G CA -0.376 44.739 45.100 0.026 0.000 0.953 64 G HN 0.289 nan 8.290 nan 0.000 0.420 65 D N 1.148 121.561 120.400 0.022 0.000 2.472 65 D HA 0.136 4.776 4.640 0.001 0.000 0.237 65 D C 1.030 177.337 176.300 0.011 0.000 1.141 65 D CA 0.399 54.409 54.000 0.017 0.000 0.875 65 D CB 1.329 42.140 40.800 0.019 0.000 1.192 65 D HN 0.283 nan 8.370 nan 0.000 0.450 66 S N 1.550 117.255 115.700 0.009 0.000 2.596 66 S HA 0.094 4.565 4.470 0.001 0.000 0.260 66 S C -0.302 174.299 174.600 0.002 0.000 1.336 66 S CA -0.249 57.954 58.200 0.005 0.000 0.993 66 S CB 0.226 63.428 63.200 0.004 0.000 0.923 66 S HN 0.404 nan 8.310 nan 0.000 0.567 67 Q N -0.404 119.396 119.800 -0.000 0.000 2.696 67 Q HA -0.123 4.218 4.340 0.001 0.000 0.031 67 Q C -2.797 173.199 176.000 -0.005 0.000 1.551 67 Q CA 0.146 55.947 55.803 -0.003 0.000 0.218 67 Q CB -1.822 26.915 28.738 -0.002 0.000 3.220 67 Q HN 0.564 nan 8.270 nan 0.000 0.312 68 P HA -0.081 nan 4.420 nan 0.000 0.257 68 P C -0.291 177.002 177.300 -0.012 0.000 1.189 68 P CA 0.747 63.838 63.100 -0.015 0.000 0.780 68 P CB 0.134 31.823 31.700 -0.018 0.000 0.772 69 Q N 1.917 121.709 119.800 -0.013 0.000 2.205 69 Q HA 0.548 4.888 4.340 0.001 0.000 0.249 69 Q C -0.408 175.584 176.000 -0.013 0.000 0.948 69 Q CA -1.117 54.682 55.803 -0.007 0.000 0.895 69 Q CB 1.264 30.002 28.738 0.001 0.000 1.249 69 Q HN -0.036 nan 8.270 nan 0.000 0.458 70 K N 2.131 122.532 120.400 0.001 0.000 2.478 70 K HA 0.287 4.607 4.320 0.001 0.000 0.236 70 K C -1.238 175.376 176.600 0.022 0.000 1.021 70 K CA -0.434 55.854 56.287 0.003 0.000 1.010 70 K CB 0.422 32.930 32.500 0.013 0.000 1.331 70 K HN 0.585 nan 8.250 nan 0.000 0.470 71 I N 3.240 123.815 120.570 0.009 0.000 2.363 71 I HA 0.205 4.375 4.170 0.001 0.000 0.292 71 I C 0.323 176.469 176.117 0.048 0.000 1.075 71 I CA -0.142 61.176 61.300 0.029 0.000 1.333 71 I CB 0.519 38.521 38.000 0.003 0.000 1.415 71 I HN 0.646 nan 8.210 nan 0.000 0.502 72 E N 7.285 127.543 120.200 0.098 0.000 2.179 72 E HA 0.715 5.066 4.350 0.001 0.000 0.275 72 E C -1.296 175.347 176.600 0.072 0.000 0.945 72 E CA -0.581 55.890 56.400 0.118 0.000 0.792 72 E CB 1.672 31.500 29.700 0.212 0.000 1.125 72 E HN 0.517 nan 8.360 nan 0.000 0.397 73 I N 2.202 122.737 120.570 -0.058 0.000 2.769 73 I HA 0.237 4.408 4.170 0.001 0.000 0.298 73 I C -0.732 175.127 176.117 -0.430 0.000 1.128 73 I CA -0.874 60.283 61.300 -0.238 0.000 1.031 73 I CB 2.345 40.266 38.000 -0.130 0.000 1.235 73 I HN 0.363 nan 8.210 nan 0.000 0.423 74 S N 5.483 120.678 115.700 -0.841 0.000 2.478 74 S HA 0.831 5.302 4.470 0.001 0.000 0.312 74 S C -0.899 173.470 174.600 -0.386 0.000 1.094 74 S CA -0.428 57.255 58.200 -0.861 0.000 1.081 74 S CB 0.485 62.658 63.200 -1.712 0.000 1.007 74 S HN 0.460 nan 8.310 nan 0.000 0.475 75 F N 2.037 121.780 119.950 -0.345 0.000 2.715 75 F HA 0.981 5.508 4.527 0.001 0.000 0.318 75 F C -0.716 174.991 175.800 -0.156 0.000 1.141 75 F CA -1.117 56.738 58.000 -0.242 0.000 0.950 75 F CB 0.993 39.870 39.000 -0.205 0.000 1.374 75 F HN 0.707 nan 8.300 nan 0.000 0.477 76 A N 0.058 122.864 122.820 -0.024 0.000 2.594 76 A HA 0.942 5.263 4.320 0.001 0.000 0.295 76 A C -0.798 176.647 177.584 -0.231 0.000 1.071 76 A CA -0.246 51.662 52.037 -0.214 0.000 0.685 76 A CB 1.319 20.192 19.000 -0.213 0.000 1.285 76 A HN 1.958 nan 8.150 nan 0.000 0.405 77 G N -0.007 108.318 108.800 -0.791 0.000 2.682 77 G HA2 0.707 4.667 3.960 0.001 0.000 0.303 77 G HA3 0.707 4.667 3.960 0.001 0.000 0.303 77 G C -1.497 172.703 174.900 -1.167 0.000 1.341 77 G CA -0.362 44.235 45.100 -0.837 0.000 0.784 77 G HN 1.102 nan 8.290 nan 0.000 0.497 78 K N -0.908 119.169 120.400 -0.538 0.000 2.477 78 K HA 0.684 5.004 4.320 0.001 0.000 0.255 78 K C -1.098 175.665 176.600 0.272 0.000 0.952 78 K CA -0.879 55.311 56.287 -0.162 0.000 0.826 78 K CB 2.626 35.090 32.500 -0.060 0.000 1.331 78 K HN 0.271 nan 8.250 nan 0.000 0.437 79 V N 2.422 122.560 119.914 0.373 0.000 2.425 79 V HA -0.042 4.078 4.120 0.001 0.000 0.276 79 V C 0.768 177.059 176.094 0.330 0.000 1.017 79 V CA 0.149 62.712 62.300 0.438 0.000 1.062 79 V CB 0.571 32.629 31.823 0.392 0.000 0.997 79 V HN 0.899 nan 8.190 nan 0.000 0.476 80 S N 3.503 119.423 115.700 0.366 0.000 2.563 80 S HA -0.039 4.432 4.470 0.001 0.000 0.269 80 S C 1.029 175.806 174.600 0.295 0.000 1.364 80 S CA 0.414 58.792 58.200 0.298 0.000 1.010 80 S CB 0.496 63.881 63.200 0.308 0.000 0.877 80 S HN 0.957 nan 8.310 nan 0.000 0.549 81 D N 0.174 120.700 120.400 0.209 0.000 2.389 81 D HA 0.164 4.805 4.640 0.001 0.000 0.206 81 D C 0.522 176.921 176.300 0.165 0.000 1.055 81 D CA 0.085 54.198 54.000 0.188 0.000 0.856 81 D CB -0.006 40.866 40.800 0.120 0.000 0.957 81 D HN 0.396 nan 8.370 nan 0.000 0.509 82 S N -0.249 115.515 115.700 0.108 0.000 2.607 82 S HA 0.408 4.878 4.470 0.001 0.000 0.303 82 S C -0.289 174.172 174.600 -0.231 0.000 1.086 82 S CA -1.158 57.036 58.200 -0.010 0.000 0.995 82 S CB 1.579 64.769 63.200 -0.016 0.000 1.084 82 S HN 0.213 nan 8.310 nan 0.000 0.507 83 L N 2.578 123.542 121.223 -0.432 0.000 2.536 83 L HA 0.481 4.822 4.340 0.001 0.000 0.282 83 L C -0.298 176.234 176.870 -0.563 0.000 1.147 83 L CA 0.576 54.825 54.840 -0.985 0.000 0.936 83 L CB -0.307 41.393 42.059 -0.598 0.000 1.279 83 L HN 0.900 nan 8.230 nan 0.000 0.461 84 S N 2.876 118.292 115.700 -0.473 0.000 2.674 84 S HA 0.523 4.994 4.470 0.001 0.000 0.321 84 S C -0.085 174.663 174.600 0.247 0.000 0.934 84 S CA 0.016 58.231 58.200 0.025 0.000 0.827 84 S CB 0.236 63.446 63.200 0.017 0.000 1.041 84 S HN 1.330 nan 8.310 nan 0.000 0.470 85 G N 4.403 113.455 108.800 0.419 0.000 2.531 85 G HA2 -0.213 3.748 3.960 0.001 0.000 0.274 85 G HA3 -0.213 3.748 3.960 0.001 0.000 0.274 85 G C -0.351 174.949 174.900 0.668 0.000 1.159 85 G CA 0.082 45.555 45.100 0.622 0.000 0.969 85 G HN 1.389 nan 8.290 nan 0.000 0.554 86 I N 2.544 123.469 120.570 0.591 0.000 2.312 86 I HA 0.717 4.887 4.170 0.001 0.000 0.290 86 I C 0.119 176.527 176.117 0.485 0.000 1.008 86 I CA -0.690 60.869 61.300 0.431 0.000 1.226 86 I CB 0.007 38.212 38.000 0.342 0.000 1.371 86 I HN 0.793 nan 8.210 nan 0.000 0.468 87 Y N 6.480 126.912 120.300 0.220 0.000 2.889 87 Y HA 0.529 5.080 4.550 0.001 0.000 0.317 87 Y C -2.000 174.045 175.900 0.240 0.000 1.414 87 Y CA -1.378 56.865 58.100 0.239 0.000 1.091 87 Y CB 1.158 39.744 38.460 0.210 0.000 1.358 87 Y HN 0.400 nan 8.280 nan 0.000 0.487 88 Y N 1.594 122.007 120.300 0.188 0.000 2.328 88 Y HA 0.786 5.336 4.550 0.001 0.000 0.336 88 Y C -0.739 175.257 175.900 0.159 0.000 0.960 88 Y CA -1.063 57.077 58.100 0.067 0.000 1.134 88 Y CB 1.267 39.794 38.460 0.111 0.000 1.166 88 Y HN 0.927 nan 8.280 nan 0.000 0.464 89 A N 4.239 126.865 122.820 -0.324 0.000 2.317 89 A HA 0.826 5.147 4.320 0.001 0.000 0.327 89 A C 0.221 177.693 177.584 -0.187 0.000 1.178 89 A CA -0.011 51.987 52.037 -0.065 0.000 0.817 89 A CB 0.310 19.315 19.000 0.008 0.000 1.189 89 A HN 1.730 nan 8.150 nan 0.000 0.489 90 G N 1.333 110.149 108.800 0.028 0.000 2.690 90 G HA2 -0.082 3.878 3.960 0.001 0.000 0.686 90 G HA3 -0.082 3.878 3.960 0.001 0.000 0.686 90 G C 0.069 175.064 174.900 0.158 0.000 1.277 90 G CA 0.055 45.181 45.100 0.043 0.000 0.799 90 G HN 0.959 nan 8.290 nan 0.000 0.613 91 R N 0.733 121.318 120.500 0.142 0.000 1.165 91 R HA 0.312 4.653 4.340 0.001 0.000 0.087 91 R C 0.713 177.133 176.300 0.200 0.000 0.778 91 R CA 0.656 56.858 56.100 0.169 0.000 1.994 91 R CB -0.269 30.092 30.300 0.100 0.000 0.617 91 R HN 0.657 nan 8.270 nan 0.000 0.730 92 E N 1.850 122.123 120.200 0.122 0.000 2.384 92 E HA 0.031 4.382 4.350 0.001 0.000 0.266 92 E C -0.697 175.967 176.600 0.107 0.000 1.012 92 E CA 0.248 56.714 56.400 0.110 0.000 0.901 92 E CB 0.269 30.006 29.700 0.062 0.000 0.967 92 E HN 0.337 nan 8.360 nan 0.000 0.435 93 N N 1.171 119.950 118.700 0.132 0.000 2.783 93 N HA -0.153 4.588 4.740 0.001 0.000 0.247 93 N C 0.264 175.798 175.510 0.040 0.000 1.089 93 N CA 0.813 53.910 53.050 0.078 0.000 0.690 93 N CB -1.730 36.760 38.487 0.005 0.000 0.991 93 N HN 0.603 nan 8.380 nan 0.000 0.552 94 G N 0.267 109.139 108.800 0.120 0.000 2.514 94 G HA2 0.661 4.621 3.960 0.001 0.000 0.245 94 G HA3 0.661 4.621 3.960 0.001 0.000 0.245 94 G C 0.472 175.112 174.900 -0.432 0.000 1.488 94 G CA 0.145 45.082 45.100 -0.272 0.000 1.063 94 G HN 0.414 nan 8.290 nan 0.000 0.557 95 M N -1.390 117.720 119.600 -0.817 0.000 2.365 95 M HA 0.537 5.017 4.480 0.001 0.000 0.288 95 M C -1.611 174.382 176.300 -0.510 0.000 1.152 95 M CA -0.704 54.315 55.300 -0.468 0.000 0.948 95 M CB 1.881 34.337 32.600 -0.240 0.000 1.729 95 M HN 0.262 nan 8.290 nan 0.000 0.487 96 I N 2.121 122.544 120.570 -0.244 0.000 2.474 96 I HA 0.538 4.709 4.170 0.001 0.000 0.287 96 I C 0.314 176.250 176.117 -0.301 0.000 1.048 96 I CA 0.273 61.451 61.300 -0.203 0.000 1.383 96 I CB 1.587 39.464 38.000 -0.207 0.000 1.412 96 I HN 0.879 nan 8.210 nan 0.000 0.531 97 T N 3.355 117.655 114.554 -0.422 0.000 2.711 97 T HA 0.577 4.927 4.350 0.001 0.000 0.302 97 T C -0.871 173.540 174.700 -0.483 0.000 1.373 97 T CA -0.454 61.377 62.100 -0.449 0.000 1.000 97 T CB 1.685 70.360 68.868 -0.322 0.000 1.483 97 T HN 0.753 nan 8.240 nan 0.000 0.499 98 T N -0.308 114.022 114.554 -0.374 0.000 2.906 98 T HA 0.714 5.064 4.350 0.001 0.000 0.295 98 T C -1.336 173.406 174.700 0.070 0.000 1.075 98 T CA -0.612 61.326 62.100 -0.270 0.000 1.005 98 T CB 1.657 69.995 68.868 -0.883 0.000 1.136 98 T HN 0.821 nan 8.240 nan 0.000 0.498 99 H N 0.717 119.768 119.070 -0.032 0.000 2.941 99 H HA 0.380 4.937 4.556 0.001 0.000 0.291 99 H C -0.943 174.503 175.328 0.197 0.000 1.361 99 H CA -1.168 54.968 56.048 0.147 0.000 1.606 99 H CB -0.173 29.804 29.762 0.358 0.000 1.848 99 H HN 0.667 nan 8.280 nan 0.000 0.601 100 F N 0.693 120.598 119.950 -0.075 0.000 2.743 100 F HA 0.024 4.551 4.527 0.001 0.000 0.297 100 F C 1.113 176.836 175.800 -0.128 0.000 1.131 100 F CA -0.335 57.628 58.000 -0.062 0.000 1.426 100 F CB 0.401 39.425 39.000 0.039 0.000 1.116 100 F HN 0.403 nan 8.300 nan 0.000 0.583 101 E N 2.125 122.228 120.200 -0.162 0.000 3.306 101 E HA 0.101 4.451 4.350 0.001 0.000 0.230 101 E C 0.226 176.721 176.600 -0.174 0.000 0.992 101 E CA 0.570 56.929 56.400 -0.068 0.000 0.938 101 E CB -0.290 29.271 29.700 -0.231 0.000 0.904 101 E HN 0.472 nan 8.360 nan 0.000 0.568 102 A N 2.988 125.646 122.820 -0.270 0.000 3.983 102 A HA -0.109 4.211 4.320 0.001 0.000 0.215 102 A C 0.473 177.833 177.584 -0.374 0.000 1.783 102 A CA 0.237 51.854 52.037 -0.699 0.000 1.027 102 A CB -1.349 17.362 19.000 -0.481 0.000 0.789 102 A HN 1.126 nan 8.150 nan 0.000 0.356 103 T N -2.615 111.789 114.554 -0.251 0.000 3.584 103 T HA 0.583 4.933 4.350 0.001 0.000 0.259 103 T C -0.572 174.074 174.700 -0.090 0.000 1.009 103 T CA 0.623 62.653 62.100 -0.117 0.000 1.103 103 T CB 0.374 69.169 68.868 -0.123 0.000 1.099 103 T HN 0.418 nan 8.240 nan 0.000 0.539 104 D N 0.785 121.155 120.400 -0.049 0.000 2.398 104 D HA 0.310 4.951 4.640 0.001 0.000 0.210 104 D C 2.002 178.148 176.300 -0.258 0.000 1.094 104 D CA 0.131 54.114 54.000 -0.028 0.000 0.839 104 D CB 0.646 41.528 40.800 0.137 0.000 0.963 104 D HN 0.577 nan 8.370 nan 0.000 0.506 105 A N 1.825 124.323 122.820 -0.537 0.000 1.972 105 A HA -0.217 4.104 4.320 0.001 0.000 0.219 105 A C 2.113 179.207 177.584 -0.816 0.000 1.169 105 A CA 0.996 52.297 52.037 -1.227 0.000 0.635 105 A CB -0.538 17.974 19.000 -0.813 0.000 0.810 105 A HN 0.283 nan 8.150 nan 0.000 0.446 106 R N -0.533 119.664 120.500 -0.505 0.000 2.341 106 R HA -0.038 4.303 4.340 0.001 0.000 0.213 106 R C 1.497 177.653 176.300 -0.241 0.000 1.082 106 R CA 1.250 57.113 56.100 -0.396 0.000 1.017 106 R CB -0.360 29.801 30.300 -0.232 0.000 0.860 106 R HN 0.455 nan 8.270 nan 0.000 0.473 107 R N -0.061 120.340 120.500 -0.164 0.000 2.276 107 R HA 0.153 4.494 4.340 0.001 0.000 0.196 107 R C 1.869 178.252 176.300 0.139 0.000 0.961 107 R CA 0.665 56.782 56.100 0.029 0.000 1.024 107 R CB 0.061 30.431 30.300 0.116 0.000 0.940 107 R HN 0.291 nan 8.270 nan 0.000 0.480 108 M N -0.019 119.595 119.600 0.023 0.000 2.691 108 M HA 0.179 4.660 4.480 0.001 0.000 0.261 108 M C -0.592 175.878 176.300 0.283 0.000 1.227 108 M CA 1.007 56.423 55.300 0.194 0.000 1.197 108 M CB 0.795 33.537 32.600 0.237 0.000 1.294 108 M HN -0.056 nan 8.290 nan 0.000 0.508 109 F N -0.937 118.866 119.950 -0.246 0.000 2.665 109 F HA 0.701 5.228 4.527 0.001 0.000 0.308 109 F C -3.058 172.449 175.800 -0.487 0.000 1.112 109 F CA -2.422 55.267 58.000 -0.519 0.000 0.972 109 F CB 0.199 39.025 39.000 -0.290 0.000 1.295 109 F HN -0.193 nan 8.300 nan 0.000 0.440 110 P HA 0.274 nan 4.420 nan 0.000 0.267 110 P C -0.708 176.387 177.300 -0.340 0.000 1.205 110 P CA 0.120 62.943 63.100 -0.462 0.000 0.765 110 P CB 1.127 32.571 31.700 -0.426 0.000 0.828 111 C N -0.006 119.102 119.300 -0.320 0.000 3.165 111 C HA 0.262 4.722 4.460 0.001 0.000 0.345 111 C C -0.309 174.625 174.990 -0.094 0.000 1.367 111 C CA -0.870 58.069 59.018 -0.133 0.000 1.205 111 C CB 0.360 27.787 27.740 -0.521 0.000 1.447 111 C HN 0.286 nan 8.230 nan 0.000 0.451 112 V N 2.041 121.990 119.914 0.059 0.000 2.287 112 V HA 0.164 4.284 4.120 0.001 0.000 0.246 112 V C 0.572 176.679 176.094 0.023 0.000 1.165 112 V CA 0.822 63.106 62.300 -0.027 0.000 1.088 112 V CB -0.225 31.539 31.823 -0.099 0.000 1.242 112 V HN 0.855 nan 8.190 nan 0.000 0.497 113 D N 3.411 123.798 120.400 -0.020 0.000 2.662 113 D HA 0.023 4.664 4.640 0.001 0.000 0.228 113 D C 0.002 176.426 176.300 0.207 0.000 1.093 113 D CA 0.405 54.423 54.000 0.029 0.000 1.075 113 D CB -0.503 40.258 40.800 -0.065 0.000 1.122 113 D HN 0.737 nan 8.370 nan 0.000 0.475 114 H N 0.384 119.560 119.070 0.177 0.000 2.840 114 H HA 0.268 4.824 4.556 0.001 0.000 0.340 114 H C -1.819 173.702 175.328 0.322 0.000 1.004 114 H CA -1.570 54.660 56.048 0.304 0.000 1.288 114 H CB 2.065 32.000 29.762 0.289 0.000 1.607 114 H HN -0.075 nan 8.280 nan 0.000 0.522 115 P HA -0.171 nan 4.420 nan 0.000 0.223 115 P C 0.713 178.129 177.300 0.193 0.000 1.144 115 P CA 1.417 64.566 63.100 0.081 0.000 0.783 115 P CB 0.260 31.697 31.700 -0.437 0.000 0.771 116 A N -1.496 121.611 122.820 0.478 0.000 2.072 116 A HA -0.020 4.301 4.320 0.001 0.000 0.216 116 A C 0.621 178.219 177.584 0.024 0.000 1.156 116 A CA 0.252 52.415 52.037 0.211 0.000 0.701 116 A CB -0.936 18.160 19.000 0.159 0.000 0.816 116 A HN 0.107 nan 8.150 nan 0.000 0.458 117 Y N 1.816 122.234 120.300 0.196 0.000 2.821 117 Y HA 0.301 4.851 4.550 0.001 0.000 0.331 117 Y C 0.430 176.448 175.900 0.196 0.000 1.251 117 Y CA -0.680 57.508 58.100 0.146 0.000 1.494 117 Y CB -0.064 38.480 38.460 0.139 0.000 1.493 117 Y HN 0.090 nan 8.280 nan 0.000 0.496 118 K N 1.827 122.366 120.400 0.232 0.000 2.258 118 K HA 0.720 5.040 4.320 0.001 0.000 0.264 118 K C -0.142 176.587 176.600 0.214 0.000 1.007 118 K CA -0.239 56.196 56.287 0.246 0.000 0.941 118 K CB 0.824 33.424 32.500 0.166 0.000 0.966 118 K HN 0.571 nan 8.250 nan 0.000 0.480 119 A N 1.084 124.034 122.820 0.216 0.000 2.586 119 A HA 0.418 4.738 4.320 0.001 0.000 0.290 119 A C -1.298 176.233 177.584 -0.087 0.000 1.086 119 A CA -0.790 51.254 52.037 0.011 0.000 0.665 119 A CB 1.036 20.014 19.000 -0.037 0.000 1.279 119 A HN 0.335 nan 8.150 nan 0.000 0.423 120 V N 0.569 120.397 119.914 -0.143 0.000 2.546 120 V HA 0.490 4.610 4.120 0.001 0.000 0.284 120 V C -0.971 174.997 176.094 -0.209 0.000 1.050 120 V CA 0.301 62.568 62.300 -0.055 0.000 0.981 120 V CB 0.530 32.335 31.823 -0.031 0.000 0.990 120 V HN 0.579 nan 8.190 nan 0.000 0.474 121 F N 2.685 122.729 119.950 0.157 0.000 2.460 121 F HA 0.681 5.208 4.527 0.001 0.000 0.341 121 F C 0.361 176.211 175.800 0.083 0.000 1.130 121 F CA -0.562 57.520 58.000 0.136 0.000 0.962 121 F CB 1.669 40.718 39.000 0.081 0.000 1.171 121 F HN 0.499 nan 8.300 nan 0.000 0.436 122 A N 5.160 128.111 122.820 0.218 0.000 2.273 122 A HA 0.778 5.099 4.320 0.001 0.000 0.320 122 A C -0.811 176.867 177.584 0.157 0.000 1.358 122 A CA -0.410 51.723 52.037 0.160 0.000 0.910 122 A CB -0.184 18.880 19.000 0.107 0.000 1.159 122 A HN 0.611 nan 8.150 nan 0.000 0.526 123 I N 1.849 122.528 120.570 0.180 0.000 2.441 123 I HA 0.503 4.673 4.170 0.001 0.000 0.295 123 I C 0.255 176.539 176.117 0.278 0.000 0.994 123 I CA 0.344 61.747 61.300 0.171 0.000 1.144 123 I CB 2.356 40.416 38.000 0.098 0.000 1.314 123 I HN 0.511 nan 8.210 nan 0.000 0.445 124 T N 5.416 120.085 114.554 0.192 0.000 2.886 124 T HA 0.713 5.063 4.350 0.001 0.000 0.292 124 T C -0.726 174.075 174.700 0.168 0.000 1.012 124 T CA -0.626 61.571 62.100 0.162 0.000 0.982 124 T CB 1.800 70.715 68.868 0.078 0.000 1.018 124 T HN 0.438 nan 8.240 nan 0.000 0.451 125 V N 0.222 120.245 119.914 0.182 0.000 2.914 125 V HA 0.947 5.067 4.120 0.001 0.000 0.314 125 V C -0.869 175.320 176.094 0.159 0.000 1.084 125 V CA -0.941 61.499 62.300 0.233 0.000 0.963 125 V CB 1.926 33.951 31.823 0.336 0.000 1.025 125 V HN 0.617 nan 8.190 nan 0.000 0.432 126 V N 5.168 125.197 119.914 0.192 0.000 2.378 126 V HA 0.683 4.803 4.120 0.001 0.000 0.288 126 V C -0.017 176.178 176.094 0.169 0.000 1.016 126 V CA -0.134 62.242 62.300 0.127 0.000 0.840 126 V CB 0.834 32.703 31.823 0.077 0.000 0.994 126 V HN 1.040 nan 8.190 nan 0.000 0.431 127 I N -0.158 120.472 120.570 0.100 0.000 3.343 127 I HA 0.762 4.933 4.170 0.001 0.000 0.315 127 I C -0.958 175.169 176.117 0.015 0.000 1.153 127 I CA -1.170 60.157 61.300 0.045 0.000 0.952 127 I CB 2.011 40.016 38.000 0.009 0.000 1.287 127 I HN 0.279 nan 8.210 nan 0.000 0.472 128 D N 1.583 121.952 120.400 -0.052 0.000 2.399 128 D HA 0.158 4.799 4.640 0.001 0.000 0.241 128 D C 0.657 177.026 176.300 0.115 0.000 1.133 128 D CA -0.096 53.913 54.000 0.015 0.000 0.890 128 D CB 1.193 41.980 40.800 -0.021 0.000 1.201 128 D HN 0.484 nan 8.370 nan 0.000 0.432 129 K N 0.700 121.158 120.400 0.097 0.000 2.218 129 K HA -0.155 4.165 4.320 0.001 0.000 0.205 129 K C 0.651 177.322 176.600 0.117 0.000 1.046 129 K CA 1.233 57.576 56.287 0.092 0.000 0.933 129 K CB 0.010 32.548 32.500 0.064 0.000 0.728 129 K HN 0.492 nan 8.250 nan 0.000 0.454 130 D N -1.071 119.428 120.400 0.164 0.000 2.395 130 D HA -0.036 4.605 4.640 0.001 0.000 0.226 130 D C -0.378 175.966 176.300 0.074 0.000 1.146 130 D CA -0.054 54.014 54.000 0.113 0.000 0.830 130 D CB -0.214 40.633 40.800 0.079 0.000 0.958 130 D HN 0.017 nan 8.370 nan 0.000 0.501 131 Y N 0.246 120.539 120.300 -0.012 0.000 2.524 131 Y HA 0.464 5.015 4.550 0.001 0.000 0.344 131 Y C -0.088 175.820 175.900 0.012 0.000 1.012 131 Y CA -1.095 56.978 58.100 -0.045 0.000 1.068 131 Y CB 1.776 40.196 38.460 -0.067 0.000 1.249 131 Y HN -0.239 nan 8.280 nan 0.000 0.468 132 D N 0.677 121.163 120.400 0.143 0.000 2.340 132 D HA 0.717 5.358 4.640 0.001 0.000 0.240 132 D C -1.103 175.417 176.300 0.367 0.000 1.001 132 D CA -0.484 53.682 54.000 0.276 0.000 0.888 132 D CB 1.963 43.028 40.800 0.441 0.000 1.310 132 D HN 0.604 nan 8.370 nan 0.000 0.474 133 A N 1.194 124.235 122.820 0.368 0.000 2.374 133 A HA 0.817 5.138 4.320 0.001 0.000 0.317 133 A C -0.764 177.096 177.584 0.460 0.000 1.094 133 A CA -0.553 51.732 52.037 0.413 0.000 0.765 133 A CB 0.791 20.015 19.000 0.375 0.000 1.268 133 A HN 0.525 nan 8.150 nan 0.000 0.438 134 I N 0.717 121.463 120.570 0.293 0.000 2.647 134 I HA 0.605 4.775 4.170 0.001 0.000 0.295 134 I C 0.189 176.209 176.117 -0.161 0.000 1.078 134 I CA -0.238 61.063 61.300 0.001 0.000 1.048 134 I CB 2.364 40.164 38.000 -0.334 0.000 1.239 134 I HN 0.669 nan 8.210 nan 0.000 0.421 135 S N 2.521 117.973 115.700 -0.414 0.000 2.819 135 S HA 0.391 4.862 4.470 0.001 0.000 0.299 135 S C 0.521 174.972 174.600 -0.249 0.000 1.192 135 S CA -0.668 57.193 58.200 -0.565 0.000 0.847 135 S CB 1.366 63.591 63.200 -1.626 0.000 1.224 135 S HN 0.668 nan 8.310 nan 0.000 0.537 136 N N 0.507 119.090 118.700 -0.196 0.000 2.069 136 N HA -0.043 4.697 4.740 0.001 0.000 0.191 136 N C 0.504 175.972 175.510 -0.070 0.000 1.031 136 N CA 1.270 54.275 53.050 -0.076 0.000 0.852 136 N CB -0.235 38.228 38.487 -0.039 0.000 1.018 136 N HN 0.466 nan 8.380 nan 0.000 0.423 137 M N 0.393 119.949 119.600 -0.074 0.000 2.649 137 M HA 0.424 4.905 4.480 0.001 0.000 0.294 137 M C -2.342 174.067 176.300 0.182 0.000 1.206 137 M CA -2.159 53.156 55.300 0.024 0.000 0.928 137 M CB 0.541 33.167 32.600 0.042 0.000 1.571 137 M HN -0.252 nan 8.290 nan 0.000 0.501 138 P HA 0.355 nan 4.420 nan 0.000 0.276 138 P C -2.577 174.891 177.300 0.280 0.000 1.244 138 P CA -1.254 61.987 63.100 0.236 0.000 0.801 138 P CB -0.545 31.225 31.700 0.117 0.000 1.006 139 P HA 0.077 nan 4.420 nan 0.000 0.268 139 P C 0.527 177.815 177.300 -0.019 0.000 1.205 139 P CA 0.073 63.145 63.100 -0.047 0.000 0.771 139 P CB 0.608 32.215 31.700 -0.155 0.000 0.858 140 K N 2.221 122.593 120.400 -0.047 0.000 2.244 140 K HA 0.115 4.436 4.320 0.001 0.000 0.200 140 K C 0.525 177.099 176.600 -0.044 0.000 1.052 140 K CA 0.551 56.826 56.287 -0.020 0.000 0.980 140 K CB 0.338 32.839 32.500 0.001 0.000 0.838 140 K HN 0.171 nan 8.250 nan 0.000 0.481 141 R N -0.179 120.273 120.500 -0.080 0.000 2.707 141 R HA 0.455 4.795 4.340 0.001 0.000 0.272 141 R C -1.999 174.240 176.300 -0.100 0.000 1.011 141 R CA -0.528 55.530 56.100 -0.069 0.000 0.893 141 R CB 1.398 31.670 30.300 -0.047 0.000 1.233 141 R HN 0.054 nan 8.270 nan 0.000 0.464 142 I N 2.251 122.780 120.570 -0.069 0.000 2.534 142 I HA 0.339 4.509 4.170 0.001 0.000 0.286 142 I C -0.980 175.117 176.117 -0.033 0.000 1.094 142 I CA -0.272 60.990 61.300 -0.064 0.000 1.055 142 I CB 2.116 40.083 38.000 -0.055 0.000 1.225 142 I HN 0.415 nan 8.210 nan 0.000 0.435 143 E N 5.685 125.870 120.200 -0.026 0.000 2.210 143 E HA 0.645 4.996 4.350 0.001 0.000 0.266 143 E C -1.261 175.339 176.600 -0.000 0.000 0.883 143 E CA -0.789 55.604 56.400 -0.011 0.000 0.761 143 E CB 3.267 32.961 29.700 -0.009 0.000 1.156 143 E HN 0.191 nan 8.360 nan 0.000 0.412 144 V N 2.115 122.032 119.914 0.006 0.000 2.407 144 V HA 0.263 4.383 4.120 0.001 0.000 0.291 144 V C 0.327 176.430 176.094 0.014 0.000 1.018 144 V CA -0.156 62.153 62.300 0.014 0.000 0.842 144 V CB 1.507 33.342 31.823 0.020 0.000 0.996 144 V HN 0.718 nan 8.190 nan 0.000 0.426 145 S N 2.794 118.503 115.700 0.015 0.000 3.896 145 S HA 0.193 4.664 4.470 0.001 0.000 0.187 145 S C 1.463 176.073 174.600 0.017 0.000 1.007 145 S CA 0.416 58.624 58.200 0.014 0.000 1.499 145 S CB 0.513 63.720 63.200 0.012 0.000 0.986 145 S HN 0.840 nan 8.310 nan 0.000 0.827 146 E N 0.883 121.093 120.200 0.017 0.000 2.216 146 E HA 0.073 4.423 4.350 0.001 0.000 0.192 146 E C 0.597 177.210 176.600 0.022 0.000 0.988 146 E CA 0.478 56.889 56.400 0.018 0.000 0.834 146 E CB 0.171 29.880 29.700 0.015 0.000 0.772 146 E HN 0.236 nan 8.360 nan 0.000 0.479 147 R N 0.037 120.551 120.500 0.023 0.000 3.045 147 R HA 0.479 4.819 4.340 0.001 0.000 0.245 147 R C -0.529 175.789 176.300 0.031 0.000 1.333 147 R CA -0.833 55.284 56.100 0.029 0.000 1.036 147 R CB 1.131 31.448 30.300 0.027 0.000 1.340 147 R HN -0.115 nan 8.270 nan 0.000 0.488 148 K N 1.242 121.665 120.400 0.037 0.000 2.376 148 K HA 0.395 4.716 4.320 0.001 0.000 0.257 148 K C -1.402 175.214 176.600 0.027 0.000 0.939 148 K CA -0.456 55.851 56.287 0.033 0.000 0.809 148 K CB 1.832 34.361 32.500 0.048 0.000 1.121 148 K HN 0.255 nan 8.250 nan 0.000 0.425 149 V N 4.635 124.554 119.914 0.008 0.000 2.357 149 V HA 0.311 4.432 4.120 0.001 0.000 0.284 149 V C -0.583 175.480 176.094 -0.052 0.000 1.018 149 V CA -0.874 61.424 62.300 -0.004 0.000 0.841 149 V CB 1.577 33.399 31.823 -0.002 0.000 0.991 149 V HN 0.514 nan 8.190 nan 0.000 0.437 150 V N 5.463 125.320 119.914 -0.095 0.000 2.357 150 V HA 0.397 4.517 4.120 0.001 0.000 0.284 150 V C -0.025 175.866 176.094 -0.339 0.000 1.018 150 V CA -0.641 61.499 62.300 -0.266 0.000 0.841 150 V CB 1.568 33.147 31.823 -0.406 0.000 0.991 150 V HN 0.948 nan 8.190 nan 0.000 0.437 151 E N 5.155 125.183 120.200 -0.286 0.000 2.113 151 E HA 0.478 4.829 4.350 0.001 0.000 0.273 151 E C -1.189 175.282 176.600 -0.215 0.000 0.924 151 E CA -0.476 55.826 56.400 -0.163 0.000 0.764 151 E CB 1.319 30.985 29.700 -0.058 0.000 1.104 151 E HN 0.456 nan 8.360 nan 0.000 0.406 152 F N 1.625 121.595 119.950 0.033 0.000 2.382 152 F HA 0.115 4.643 4.527 0.001 0.000 0.331 152 F C 1.371 177.187 175.800 0.027 0.000 1.121 152 F CA -0.438 57.580 58.000 0.031 0.000 1.183 152 F CB 0.650 39.671 39.000 0.035 0.000 1.207 152 F HN 0.296 nan 8.300 nan 0.000 0.555 153 Q N 0.868 120.796 119.800 0.214 0.000 2.524 153 Q HA 0.049 4.389 4.340 0.001 0.000 0.246 153 Q C -0.799 175.270 176.000 0.117 0.000 1.063 153 Q CA -0.490 55.382 55.803 0.115 0.000 0.945 153 Q CB 0.356 29.137 28.738 0.072 0.000 1.292 153 Q HN 0.446 nan 8.270 nan 0.000 0.518 154 D N 1.349 121.793 120.400 0.073 0.000 2.443 154 D HA 0.029 4.670 4.640 0.001 0.000 0.239 154 D C -0.020 176.315 176.300 0.058 0.000 1.136 154 D CA 0.241 54.286 54.000 0.074 0.000 0.879 154 D CB 0.652 41.474 40.800 0.037 0.000 1.195 154 D HN 0.488 nan 8.370 nan 0.000 0.443 155 T N -0.909 113.708 114.554 0.104 0.000 2.902 155 T HA 0.597 4.947 4.350 0.001 0.000 0.280 155 T C -2.399 172.355 174.700 0.090 0.000 0.992 155 T CA -1.657 60.495 62.100 0.088 0.000 1.015 155 T CB 1.465 70.456 68.868 0.205 0.000 1.044 155 T HN -0.007 nan 8.240 nan 0.000 0.520 156 P HA 0.326 nan 4.420 nan 0.000 0.289 156 P C -0.296 177.154 177.300 0.249 0.000 1.299 156 P CA -0.855 62.290 63.100 0.075 0.000 0.766 156 P CB 0.390 32.184 31.700 0.157 0.000 1.226 157 R N 0.681 121.308 120.500 0.212 0.000 2.449 157 R HA 0.319 4.659 4.340 0.001 0.000 0.296 157 R C 0.423 176.971 176.300 0.413 0.000 1.047 157 R CA 0.544 56.800 56.100 0.260 0.000 1.018 157 R CB -0.409 29.989 30.300 0.164 0.000 0.962 157 R HN 0.567 nan 8.270 nan 0.000 0.428 158 M N -1.195 118.658 119.600 0.422 0.000 2.843 158 M HA 0.474 4.954 4.480 0.001 0.000 0.273 158 M C -1.039 175.472 176.300 0.352 0.000 1.286 158 M CA -1.025 54.482 55.300 0.346 0.000 0.807 158 M CB 1.988 34.852 32.600 0.440 0.000 1.684 158 M HN 0.150 nan 8.290 nan 0.000 0.458 159 S N 0.842 116.644 115.700 0.170 0.000 2.554 159 S HA 0.301 4.772 4.470 0.001 0.000 0.278 159 S C 1.164 175.843 174.600 0.133 0.000 1.242 159 S CA -0.113 58.211 58.200 0.206 0.000 1.051 159 S CB 1.509 64.812 63.200 0.172 0.000 0.986 159 S HN 0.846 nan 8.310 nan 0.000 0.502 160 T N 0.014 114.690 114.554 0.204 0.000 2.759 160 T HA -0.257 4.094 4.350 0.001 0.000 0.269 160 T C 1.633 176.382 174.700 0.082 0.000 1.042 160 T CA 1.726 63.832 62.100 0.011 0.000 1.140 160 T CB -0.842 68.037 68.868 0.018 0.000 0.864 160 T HN 0.803 nan 8.240 nan 0.000 0.455 161 Y N 1.251 121.610 120.300 0.097 0.000 2.616 161 Y HA 0.413 4.963 4.550 0.001 0.000 0.296 161 Y C 1.580 177.594 175.900 0.190 0.000 1.154 161 Y CA -0.251 57.965 58.100 0.194 0.000 1.325 161 Y CB -0.684 37.932 38.460 0.259 0.000 1.007 161 Y HN 0.211 nan 8.280 nan 0.000 0.542 162 L N 0.522 121.492 121.223 -0.422 0.000 2.607 162 L HA 0.228 4.568 4.340 0.001 0.000 0.228 162 L C 0.407 177.226 176.870 -0.084 0.000 1.123 162 L CA -0.204 54.411 54.840 -0.376 0.000 0.890 162 L CB 0.059 41.835 42.059 -0.471 0.000 1.103 162 L HN 0.137 nan 8.230 nan 0.000 0.468 163 L N -0.275 120.949 121.223 0.002 0.000 2.467 163 L HA 0.078 4.418 4.340 0.001 0.000 0.270 163 L C -0.602 176.291 176.870 0.038 0.000 1.205 163 L CA 0.231 55.076 54.840 0.009 0.000 0.828 163 L CB 0.248 42.293 42.059 -0.024 0.000 1.101 163 L HN -0.046 nan 8.230 nan 0.000 0.479 164 Y N 1.746 121.945 120.300 -0.169 0.000 2.504 164 Y HA 0.658 5.208 4.550 0.001 0.000 0.344 164 Y C -1.208 174.538 175.900 -0.256 0.000 1.023 164 Y CA -0.833 57.111 58.100 -0.259 0.000 1.020 164 Y CB 1.854 40.172 38.460 -0.236 0.000 1.282 164 Y HN 0.165 nan 8.280 nan 0.000 0.454 165 V N 4.228 123.341 119.914 -1.334 0.000 2.668 165 V HA 0.800 4.921 4.120 0.001 0.000 0.304 165 V C -0.478 174.914 176.094 -1.170 0.000 1.071 165 V CA -0.306 61.448 62.300 -0.911 0.000 0.894 165 V CB 1.825 33.407 31.823 -0.402 0.000 1.008 165 V HN 1.032 nan 8.190 nan 0.000 0.425 166 G N 4.440 112.870 108.800 -0.617 0.000 2.687 166 G HA2 0.818 4.778 3.960 0.001 0.000 0.301 166 G HA3 0.818 4.778 3.960 0.001 0.000 0.301 166 G C -1.476 173.487 174.900 0.105 0.000 1.416 166 G CA -0.458 44.530 45.100 -0.187 0.000 1.005 166 G HN 0.581 nan 8.290 nan 0.000 0.509 167 I N 1.404 121.995 120.570 0.036 0.000 2.499 167 I HA 0.795 4.966 4.170 0.001 0.000 0.288 167 I C 0.391 176.429 176.117 -0.132 0.000 1.048 167 I CA -0.490 60.814 61.300 0.007 0.000 1.062 167 I CB 2.432 40.295 38.000 -0.227 0.000 1.238 167 I HN 0.846 nan 8.210 nan 0.000 0.426 168 G N 4.206 112.733 108.800 -0.454 0.000 2.349 168 G HA2 0.285 4.245 3.960 0.001 0.000 0.294 168 G HA3 0.285 4.245 3.960 0.001 0.000 0.294 168 G C -1.544 172.663 174.900 -1.155 0.000 1.380 168 G CA -0.870 43.735 45.100 -0.825 0.000 0.811 168 G HN 0.421 nan 8.290 nan 0.000 0.519 169 K N 1.024 120.826 120.400 -0.997 0.000 2.333 169 K HA 0.336 4.656 4.320 0.001 0.000 0.241 169 K C -0.608 175.676 176.600 -0.527 0.000 1.193 169 K CA -0.188 55.670 56.287 -0.715 0.000 1.142 169 K CB 0.028 32.166 32.500 -0.602 0.000 1.731 169 K HN 0.247 nan 8.250 nan 0.000 0.344 170 F N 1.227 121.011 119.950 -0.276 0.000 2.444 170 F HA 0.204 4.732 4.527 0.001 0.000 0.331 170 F C 1.213 176.617 175.800 -0.660 0.000 1.167 170 F CA -0.410 57.325 58.000 -0.441 0.000 1.262 170 F CB 0.428 39.128 39.000 -0.500 0.000 1.196 170 F HN 0.075 nan 8.300 nan 0.000 0.583 171 R N 1.259 121.496 120.500 -0.439 0.000 2.637 171 R HA 0.493 4.834 4.340 0.001 0.000 0.291 171 R C -1.605 174.359 176.300 -0.560 0.000 0.963 171 R CA -0.973 54.882 56.100 -0.408 0.000 0.901 171 R CB 1.718 31.915 30.300 -0.171 0.000 1.160 171 R HN 0.579 nan 8.270 nan 0.000 0.457 172 Y N -0.099 120.181 120.300 -0.034 0.000 2.570 172 Y HA 0.469 5.019 4.550 0.001 0.000 0.345 172 Y C 0.300 176.009 175.900 -0.319 0.000 1.014 172 Y CA -0.956 57.005 58.100 -0.232 0.000 1.063 172 Y CB 1.818 40.068 38.460 -0.350 0.000 1.272 172 Y HN 0.271 nan 8.280 nan 0.000 0.477 173 E N 1.131 121.134 120.200 -0.328 0.000 2.290 173 E HA 0.340 4.691 4.350 0.001 0.000 0.274 173 E C -1.830 174.501 176.600 -0.449 0.000 0.889 173 E CA -0.810 55.441 56.400 -0.248 0.000 0.760 173 E CB 2.219 31.861 29.700 -0.097 0.000 1.206 173 E HN 0.565 nan 8.360 nan 0.000 0.419 174 Y N 0.627 120.945 120.300 0.031 0.000 2.549 174 Y HA 0.638 5.188 4.550 0.001 0.000 0.339 174 Y C 0.409 176.305 175.900 -0.007 0.000 1.053 174 Y CA -0.874 57.224 58.100 -0.004 0.000 1.105 174 Y CB 1.893 40.344 38.460 -0.014 0.000 1.258 174 Y HN 0.343 nan 8.280 nan 0.000 0.478 175 E N 1.324 121.612 120.200 0.147 0.000 2.375 175 E HA 0.419 4.770 4.350 0.001 0.000 0.280 175 E C -1.976 174.674 176.600 0.083 0.000 0.972 175 E CA -1.006 55.444 56.400 0.084 0.000 0.782 175 E CB 1.953 31.672 29.700 0.033 0.000 1.229 175 E HN 0.555 nan 8.360 nan 0.000 0.439 176 K N 2.391 122.838 120.400 0.078 0.000 2.426 176 K HA 0.554 4.875 4.320 0.001 0.000 0.251 176 K C -1.851 174.830 176.600 0.136 0.000 0.941 176 K CA -0.909 55.428 56.287 0.083 0.000 0.808 176 K CB 1.277 33.803 32.500 0.043 0.000 1.265 176 K HN 0.543 nan 8.250 nan 0.000 0.432 177 Y N 4.524 124.834 120.300 0.016 0.000 2.333 177 Y HA 0.340 4.890 4.550 0.001 0.000 0.324 177 Y C -0.089 175.836 175.900 0.041 0.000 1.033 177 Y CA -0.236 57.878 58.100 0.023 0.000 1.224 177 Y CB 0.620 39.094 38.460 0.023 0.000 1.120 177 Y HN 0.968 nan 8.280 nan 0.000 0.457 178 R N 1.089 121.286 120.500 -0.504 0.000 3.974 178 R HA -0.249 4.091 4.340 0.001 0.000 0.376 178 R C -0.153 176.066 176.300 -0.135 0.000 0.241 178 R CA 1.874 57.753 56.100 -0.368 0.000 1.218 178 R CB -1.048 28.971 30.300 -0.468 0.000 1.032 178 R HN 0.832 nan 8.270 nan 0.000 0.547 179 D N 1.720 122.080 120.400 -0.067 0.000 2.561 179 D HA 0.218 4.859 4.640 0.001 0.000 0.232 179 D C 0.067 176.391 176.300 0.040 0.000 1.198 179 D CA 0.376 54.370 54.000 -0.010 0.000 0.826 179 D CB -0.288 40.511 40.800 -0.000 0.000 0.992 179 D HN 0.308 nan 8.370 nan 0.000 0.490 180 I N 0.467 121.078 120.570 0.068 0.000 2.436 180 I HA 0.184 4.355 4.170 0.001 0.000 0.289 180 I C -0.376 175.796 176.117 0.092 0.000 1.010 180 I CA -0.918 60.458 61.300 0.126 0.000 1.098 180 I CB 1.851 39.989 38.000 0.229 0.000 1.266 180 I HN -0.273 nan 8.210 nan 0.000 0.434 181 D N 7.457 127.898 120.400 0.068 0.000 2.277 181 D HA 0.433 5.074 4.640 0.001 0.000 0.249 181 D C -0.496 175.812 176.300 0.013 0.000 1.134 181 D CA -0.005 54.019 54.000 0.040 0.000 0.863 181 D CB 1.838 42.648 40.800 0.017 0.000 1.143 181 D HN 0.272 nan 8.370 nan 0.000 0.458 182 L N 3.489 124.721 121.223 0.014 0.000 2.319 182 L HA 0.482 4.822 4.340 0.001 0.000 0.281 182 L C -0.517 176.313 176.870 -0.067 0.000 1.005 182 L CA -0.853 53.964 54.840 -0.037 0.000 0.828 182 L CB 0.969 43.019 42.059 -0.016 0.000 1.227 182 L HN 0.114 nan 8.230 nan 0.000 0.415 183 I N 4.205 124.660 120.570 -0.190 0.000 2.465 183 I HA 0.409 4.579 4.170 0.001 0.000 0.291 183 I C -0.424 175.590 176.117 -0.172 0.000 1.014 183 I CA -0.279 60.856 61.300 -0.275 0.000 1.093 183 I CB 2.166 39.860 38.000 -0.509 0.000 1.267 183 I HN 0.449 nan 8.210 nan 0.000 0.431 184 L N 5.765 126.897 121.223 -0.152 0.000 2.287 184 L HA 0.877 5.218 4.340 0.001 0.000 0.287 184 L C -0.468 176.389 176.870 -0.022 0.000 1.022 184 L CA -0.330 54.466 54.840 -0.073 0.000 0.814 184 L CB 0.954 42.956 42.059 -0.095 0.000 1.217 184 L HN 0.830 nan 8.230 nan 0.000 0.420 185 A N 3.657 126.478 122.820 0.002 0.000 2.350 185 A HA 0.886 5.206 4.320 0.001 0.000 0.324 185 A C -0.659 176.862 177.584 -0.104 0.000 1.118 185 A CA -0.190 51.803 52.037 -0.073 0.000 0.783 185 A CB 1.681 20.573 19.000 -0.181 0.000 1.236 185 A HN 0.748 nan 8.150 nan 0.000 0.457 186 S N 0.643 116.305 115.700 -0.064 0.000 2.611 186 S HA 0.527 4.997 4.470 0.001 0.000 0.268 186 S C -0.490 174.149 174.600 0.065 0.000 1.156 186 S CA -0.541 57.673 58.200 0.023 0.000 0.817 186 S CB 0.492 63.681 63.200 -0.018 0.000 1.122 186 S HN 0.455 nan 8.310 nan 0.000 0.466 187 L N 0.752 122.001 121.223 0.043 0.000 2.298 187 L HA 0.434 4.774 4.340 0.001 0.000 0.209 187 L C 0.917 177.755 176.870 -0.053 0.000 1.084 187 L CA 1.424 56.246 54.840 -0.030 0.000 0.816 187 L CB -0.872 41.155 42.059 -0.053 0.000 0.967 187 L HN 0.668 nan 8.230 nan 0.000 0.460 188 K N -0.676 119.702 120.400 -0.035 0.000 2.267 188 K HA 0.223 4.543 4.320 0.001 0.000 0.236 188 K C -0.526 176.050 176.600 -0.039 0.000 1.030 188 K CA -1.151 55.114 56.287 -0.036 0.000 0.930 188 K CB 0.478 32.964 32.500 -0.024 0.000 1.182 188 K HN -0.221 nan 8.250 nan 0.000 0.474 189 D N 0.900 121.280 120.400 -0.034 0.000 2.423 189 D HA 0.046 4.687 4.640 0.001 0.000 0.238 189 D C -0.371 175.912 176.300 -0.029 0.000 1.142 189 D CA 0.143 54.124 54.000 -0.031 0.000 0.884 189 D CB 0.410 41.197 40.800 -0.023 0.000 1.199 189 D HN 0.157 nan 8.370 nan 0.000 0.438 190 I N 2.473 123.026 120.570 -0.029 0.000 2.322 190 I HA 0.109 4.279 4.170 0.001 0.000 0.292 190 I C 1.900 178.006 176.117 -0.017 0.000 1.060 190 I CA -0.013 61.271 61.300 -0.027 0.000 1.309 190 I CB 0.830 38.811 38.000 -0.032 0.000 1.415 190 I HN 0.310 nan 8.210 nan 0.000 0.492 191 R N 4.241 124.731 120.500 -0.017 0.000 2.091 191 R HA -0.106 4.235 4.340 0.001 0.000 0.238 191 R C 0.424 176.720 176.300 -0.007 0.000 1.136 191 R CA 1.621 57.712 56.100 -0.015 0.000 0.959 191 R CB 0.243 30.531 30.300 -0.021 0.000 0.856 191 R HN 0.815 nan 8.270 nan 0.000 0.437 192 S N -2.409 113.293 115.700 0.003 0.000 2.615 192 S HA 0.230 4.701 4.470 0.001 0.000 0.268 192 S C -0.765 173.854 174.600 0.032 0.000 1.146 192 S CA -1.082 57.132 58.200 0.023 0.000 0.818 192 S CB 1.328 64.551 63.200 0.038 0.000 1.111 192 S HN 0.201 nan 8.310 nan 0.000 0.465 193 K N 0.027 120.453 120.400 0.043 0.000 2.437 193 K HA 0.152 4.472 4.320 0.001 0.000 0.198 193 K C 0.709 177.325 176.600 0.027 0.000 1.024 193 K CA -0.053 56.246 56.287 0.019 0.000 1.148 193 K CB -0.294 32.216 32.500 0.016 0.000 0.860 193 K HN 0.543 nan 8.250 nan 0.000 0.515 194 Y N 3.486 123.755 120.300 -0.051 0.000 2.151 194 Y HA -0.187 4.363 4.550 0.001 0.000 0.284 194 Y C -0.920 174.934 175.900 -0.076 0.000 1.166 194 Y CA 1.407 59.473 58.100 -0.057 0.000 1.163 194 Y CB -0.674 37.748 38.460 -0.063 0.000 0.974 194 Y HN 0.089 nan 8.280 nan 0.000 0.511 195 P HA -0.154 nan 4.420 nan 0.000 0.219 195 P C 1.707 178.871 177.300 -0.227 0.000 1.150 195 P CA 1.552 64.522 63.100 -0.217 0.000 0.814 195 P CB -0.121 31.469 31.700 -0.184 0.000 0.787 196 L N -0.020 121.106 121.223 -0.162 0.000 2.056 196 L HA -0.116 4.224 4.340 0.001 0.000 0.207 196 L C 2.333 179.112 176.870 -0.151 0.000 1.078 196 L CA 1.487 56.251 54.840 -0.127 0.000 0.749 196 L CB -1.012 41.002 42.059 -0.076 0.000 0.901 196 L HN -0.057 nan 8.230 nan 0.000 0.433 197 D N -0.220 120.063 120.400 -0.194 0.000 2.144 197 D HA -0.207 4.434 4.640 0.001 0.000 0.199 197 D C 2.162 178.297 176.300 -0.275 0.000 0.984 197 D CA 1.351 55.225 54.000 -0.211 0.000 0.834 197 D CB 0.031 40.693 40.800 -0.231 0.000 0.955 197 D HN 0.186 nan 8.370 nan 0.000 0.465 198 M N 0.953 120.324 119.600 -0.380 0.000 2.132 198 M HA -0.053 4.428 4.480 0.001 0.000 0.263 198 M C 2.088 178.249 176.300 -0.230 0.000 1.065 198 M CA 0.921 56.020 55.300 -0.335 0.000 1.122 198 M CB -0.603 31.770 32.600 -0.379 0.000 1.365 198 M HN -0.018 nan 8.290 nan 0.000 0.411 199 A N -0.674 122.034 122.820 -0.187 0.000 1.902 199 A HA -0.200 4.120 4.320 0.001 0.000 0.217 199 A C 2.319 179.819 177.584 -0.139 0.000 1.181 199 A CA 1.926 53.891 52.037 -0.119 0.000 0.623 199 A CB -0.701 18.247 19.000 -0.087 0.000 0.818 199 A HN 0.499 nan 8.150 nan 0.000 0.443 200 R N 0.007 120.414 120.500 -0.156 0.000 2.070 200 R HA -0.159 4.182 4.340 0.001 0.000 0.233 200 R C 2.101 178.199 176.300 -0.336 0.000 1.137 200 R CA 1.949 57.930 56.100 -0.198 0.000 0.945 200 R CB -0.285 29.960 30.300 -0.091 0.000 0.845 200 R HN 0.518 nan 8.270 nan 0.000 0.430 201 K N -0.202 120.037 120.400 -0.268 0.000 2.103 201 K HA -0.080 4.240 4.320 0.001 0.000 0.207 201 K C 2.210 178.624 176.600 -0.310 0.000 1.048 201 K CA 1.768 57.881 56.287 -0.289 0.000 0.930 201 K CB -0.035 32.301 32.500 -0.273 0.000 0.716 201 K HN 0.115 nan 8.250 nan 0.000 0.444 202 S N 0.623 116.156 115.700 -0.279 0.000 2.355 202 S HA -0.098 4.372 4.470 0.001 0.000 0.222 202 S C 2.114 176.618 174.600 -0.160 0.000 1.031 202 S CA 1.064 59.086 58.200 -0.297 0.000 0.993 202 S CB -0.150 62.981 63.200 -0.114 0.000 0.859 202 S HN 0.037 nan 8.310 nan 0.000 0.453 203 V N 1.907 121.793 119.914 -0.047 0.000 2.332 203 V HA -0.206 3.915 4.120 0.001 0.000 0.248 203 V C 2.472 178.522 176.094 -0.073 0.000 1.055 203 V CA 2.022 64.391 62.300 0.115 0.000 1.038 203 V CB -0.626 31.208 31.823 0.018 0.000 0.651 203 V HN 0.543 nan 8.190 nan 0.000 0.450 204 E N -0.267 119.655 120.200 -0.463 0.000 2.051 204 E HA -0.278 4.072 4.350 0.001 0.000 0.192 204 E C 2.128 178.615 176.600 -0.188 0.000 0.991 204 E CA 1.737 57.878 56.400 -0.431 0.000 0.799 204 E CB -0.247 29.113 29.700 -0.568 0.000 0.748 204 E HN 0.560 nan 8.360 nan 0.000 0.449 205 F N 0.239 119.963 119.950 -0.376 0.000 2.102 205 F HA -0.244 4.284 4.527 0.001 0.000 0.298 205 F C 1.726 177.271 175.800 -0.425 0.000 1.105 205 F CA 1.576 59.323 58.000 -0.422 0.000 1.239 205 F CB -0.347 38.279 39.000 -0.623 0.000 0.991 205 F HN 0.090 nan 8.300 nan 0.000 0.474 206 Y N 0.942 121.066 120.300 -0.293 0.000 2.200 206 Y HA -0.140 4.411 4.550 0.001 0.000 0.290 206 Y C 2.484 177.974 175.900 -0.684 0.000 1.137 206 Y CA 1.542 59.195 58.100 -0.745 0.000 1.163 206 Y CB -1.120 36.776 38.460 -0.939 0.000 0.988 206 Y HN 0.185 nan 8.280 nan 0.000 0.518 207 E N -0.237 119.875 120.200 -0.146 0.000 2.110 207 E HA -0.244 4.107 4.350 0.001 0.000 0.193 207 E C 1.855 178.449 176.600 -0.010 0.000 0.988 207 E CA 1.340 57.795 56.400 0.092 0.000 0.804 207 E CB -0.273 29.610 29.700 0.306 0.000 0.745 207 E HN 0.441 nan 8.360 nan 0.000 0.458 208 N N 0.100 118.720 118.700 -0.133 0.000 2.171 208 N HA -0.189 4.551 4.740 0.001 0.000 0.184 208 N C 1.709 177.067 175.510 -0.254 0.000 1.021 208 N CA 0.966 53.914 53.050 -0.169 0.000 0.854 208 N CB -0.204 38.154 38.487 -0.216 0.000 0.994 208 N HN 0.155 nan 8.380 nan 0.000 0.426 209 Y N -0.197 119.744 120.300 -0.598 0.000 2.133 209 Y HA -0.045 4.506 4.550 0.001 0.000 0.287 209 Y C 1.538 177.276 175.900 -0.270 0.000 1.134 209 Y CA 1.757 59.511 58.100 -0.576 0.000 1.133 209 Y CB -0.393 37.508 38.460 -0.932 0.000 0.987 209 Y HN 0.105 nan 8.280 nan 0.000 0.502 210 F N -0.280 119.608 119.950 -0.103 0.000 2.407 210 F HA 0.096 4.623 4.527 0.001 0.000 0.299 210 F C 1.988 177.739 175.800 -0.082 0.000 1.097 210 F CA 0.453 58.387 58.000 -0.110 0.000 1.422 210 F CB -0.368 38.524 39.000 -0.181 0.000 1.067 210 F HN 0.220 nan 8.300 nan 0.000 0.539 211 G N 1.890 110.744 108.800 0.089 0.000 2.198 211 G HA2 -0.318 3.643 3.960 0.001 0.000 0.260 211 G HA3 -0.318 3.643 3.960 0.001 0.000 0.260 211 G C -0.182 174.817 174.900 0.165 0.000 1.025 211 G CA 0.121 45.271 45.100 0.084 0.000 0.769 211 G HN 0.396 nan 8.290 nan 0.000 0.507 212 I N 1.105 121.839 120.570 0.272 0.000 2.548 212 I HA 0.313 4.483 4.170 0.001 0.000 0.287 212 I C -2.192 174.272 176.117 0.578 0.000 1.103 212 I CA -2.409 59.112 61.300 0.369 0.000 1.049 212 I CB 2.873 41.121 38.000 0.414 0.000 1.232 212 I HN -0.108 nan 8.210 nan 0.000 0.429 213 P HA -0.036 nan 4.420 nan 0.000 0.272 213 P C -0.846 176.801 177.300 0.579 0.000 1.223 213 P CA -0.128 63.282 63.100 0.516 0.000 0.784 213 P CB 0.639 32.528 31.700 0.315 0.000 0.923 214 Y N 2.030 122.604 120.300 0.456 0.000 2.717 214 Y HA 0.112 4.662 4.550 0.001 0.000 0.330 214 Y C 1.535 177.407 175.900 -0.047 0.000 1.217 214 Y CA 0.204 58.309 58.100 0.007 0.000 1.506 214 Y CB 0.241 38.733 38.460 0.053 0.000 1.268 214 Y HN 0.521 nan 8.280 nan 0.000 0.561 215 A N 6.512 128.977 122.820 -0.592 0.000 2.066 215 A HA 0.095 4.415 4.320 0.001 0.000 0.218 215 A C 0.587 177.788 177.584 -0.638 0.000 1.157 215 A CA 0.618 52.386 52.037 -0.449 0.000 0.670 215 A CB -0.544 18.297 19.000 -0.265 0.000 0.804 215 A HN 0.676 nan 8.150 nan 0.000 0.453 216 L N -1.016 119.493 121.223 -1.190 0.000 2.358 216 L HA 0.300 4.640 4.340 0.001 0.000 0.268 216 L C -1.407 175.243 176.870 -0.366 0.000 1.032 216 L CA -2.061 52.301 54.840 -0.796 0.000 0.805 216 L CB 0.698 42.223 42.059 -0.889 0.000 1.253 216 L HN -0.023 nan 8.230 nan 0.000 0.452 217 P HA -0.051 nan 4.420 nan 0.000 0.227 217 P C -0.529 176.820 177.300 0.081 0.000 1.161 217 P CA 1.119 64.210 63.100 -0.014 0.000 0.788 217 P CB 0.289 31.973 31.700 -0.026 0.000 0.822 218 K N -1.528 118.943 120.400 0.118 0.000 2.507 218 K HA 0.674 4.995 4.320 0.001 0.000 0.284 218 K C -1.174 175.547 176.600 0.202 0.000 1.038 218 K CA -0.972 55.396 56.287 0.136 0.000 0.903 218 K CB 1.015 33.530 32.500 0.026 0.000 1.531 218 K HN -0.161 nan 8.250 nan 0.000 0.430 219 M N 1.689 121.322 119.600 0.055 0.000 2.238 219 M HA 0.349 4.830 4.480 0.001 0.000 0.278 219 M C -1.743 174.524 176.300 -0.055 0.000 1.040 219 M CA -0.470 54.854 55.300 0.039 0.000 0.969 219 M CB 1.544 34.096 32.600 -0.080 0.000 1.694 219 M HN 0.777 nan 8.290 nan 0.000 0.472 220 H N 5.270 124.333 119.070 -0.012 0.000 2.473 220 H HA 0.503 5.059 4.556 0.001 0.000 0.327 220 H C -1.158 174.150 175.328 -0.034 0.000 1.105 220 H CA -0.207 55.810 56.048 -0.052 0.000 1.280 220 H CB 1.677 31.372 29.762 -0.113 0.000 1.450 220 H HN 0.649 nan 8.280 nan 0.000 0.492 221 L N 5.895 127.183 121.223 0.110 0.000 2.324 221 L HA 0.379 4.719 4.340 0.001 0.000 0.274 221 L C -0.220 176.714 176.870 0.107 0.000 1.012 221 L CA -0.332 54.620 54.840 0.186 0.000 0.859 221 L CB 0.836 42.937 42.059 0.070 0.000 1.224 221 L HN 0.357 nan 8.230 nan 0.000 0.429 222 I N 1.519 122.133 120.570 0.073 0.000 2.336 222 I HA 0.212 4.382 4.170 0.001 0.000 0.292 222 I C 0.544 176.664 176.117 0.005 0.000 0.991 222 I CA -0.192 61.066 61.300 -0.070 0.000 1.227 222 I CB 1.855 39.684 38.000 -0.285 0.000 1.366 222 I HN 0.430 nan 8.210 nan 0.000 0.466 223 S N 5.880 121.577 115.700 -0.005 0.000 2.399 223 S HA 0.412 4.883 4.470 0.001 0.000 0.301 223 S C -0.345 174.250 174.600 -0.009 0.000 1.093 223 S CA -0.522 57.692 58.200 0.024 0.000 1.077 223 S CB 0.110 63.319 63.200 0.015 0.000 0.980 223 S HN 0.351 nan 8.310 nan 0.000 0.494 224 V N 8.809 128.692 119.914 -0.052 0.000 2.427 224 V HA 0.497 4.617 4.120 0.001 0.000 0.286 224 V C -1.947 174.189 176.094 0.070 0.000 1.034 224 V CA -2.020 60.252 62.300 -0.047 0.000 0.893 224 V CB 1.527 33.213 31.823 -0.229 0.000 0.982 224 V HN 0.684 nan 8.190 nan 0.000 0.452 225 P HA 0.210 nan 4.420 nan 0.000 0.275 225 P C -0.040 177.354 177.300 0.157 0.000 1.228 225 P CA 0.017 63.172 63.100 0.092 0.000 0.786 225 P CB 0.645 32.371 31.700 0.044 0.000 0.927 226 E N -1.166 119.117 120.200 0.138 0.000 2.883 226 E HA -0.258 4.093 4.350 0.001 0.000 0.271 226 E C -0.483 176.228 176.600 0.185 0.000 1.049 226 E CA 0.143 56.623 56.400 0.134 0.000 0.817 226 E CB -2.031 27.742 29.700 0.121 0.000 1.407 226 E HN 0.377 nan 8.360 nan 0.000 0.434 227 F N 0.983 120.964 119.950 0.052 0.000 2.490 227 F HA 0.288 4.815 4.527 0.001 0.000 0.357 227 F C 1.470 177.272 175.800 0.004 0.000 1.166 227 F CA 0.344 58.369 58.000 0.041 0.000 1.116 227 F CB 0.437 39.477 39.000 0.068 0.000 1.171 227 F HN 0.021 nan 8.300 nan 0.000 0.576 228 G N 3.686 112.282 108.800 -0.340 0.000 2.511 228 G HA2 -0.038 3.922 3.960 0.001 0.000 0.217 228 G HA3 -0.038 3.922 3.960 0.001 0.000 0.217 228 G C 1.493 176.120 174.900 -0.455 0.000 1.133 228 G CA 0.482 45.395 45.100 -0.311 0.000 0.792 228 G HN 0.757 nan 8.290 nan 0.000 0.539 229 A N -0.251 122.020 122.820 -0.914 0.000 2.239 229 A HA 0.429 4.749 4.320 0.001 0.000 0.209 229 A C 2.225 179.602 177.584 -0.345 0.000 1.171 229 A CA 1.422 53.028 52.037 -0.718 0.000 0.768 229 A CB -0.514 17.868 19.000 -1.029 0.000 0.790 229 A HN 1.494 nan 8.150 nan 0.000 0.478 230 G N -1.360 107.317 108.800 -0.204 0.000 3.909 230 G HA2 0.171 4.131 3.960 0.001 0.000 0.218 230 G HA3 0.171 4.131 3.960 0.001 0.000 0.218 230 G C 0.443 175.628 174.900 0.476 0.000 1.404 230 G CA 0.604 45.836 45.100 0.221 0.000 0.905 230 G HN 2.187 nan 8.290 nan 0.000 0.589 231 A N -1.309 121.741 122.820 0.384 0.000 2.590 231 A HA 0.740 5.060 4.320 0.001 0.000 0.296 231 A C -1.201 176.536 177.584 0.256 0.000 1.050 231 A CA 0.375 52.606 52.037 0.323 0.000 0.697 231 A CB 1.447 20.451 19.000 0.006 0.000 1.277 231 A HN 1.137 nan 8.150 nan 0.000 0.411 232 M N 2.360 122.046 119.600 0.143 0.000 2.326 232 M HA 0.326 4.806 4.480 0.001 0.000 0.306 232 M C 0.446 176.729 176.300 -0.028 0.000 1.054 232 M CA -0.748 54.651 55.300 0.165 0.000 0.922 232 M CB 1.768 34.579 32.600 0.352 0.000 1.632 232 M HN 0.847 nan 8.290 nan 0.000 0.436 233 E N 2.331 122.544 120.200 0.020 0.000 2.379 233 E HA 0.018 4.368 4.350 0.001 0.000 0.209 233 E C -0.860 175.722 176.600 -0.030 0.000 1.284 233 E CA -0.027 56.380 56.400 0.011 0.000 1.333 233 E CB -1.123 28.609 29.700 0.053 0.000 1.307 233 E HN 0.627 nan 8.360 nan 0.000 0.441 234 N N 1.311 119.974 118.700 -0.061 0.000 2.357 234 N HA -0.115 4.625 4.740 0.001 0.000 0.257 234 N C -0.760 174.797 175.510 0.078 0.000 1.250 234 N CA -0.209 52.816 53.050 -0.042 0.000 0.862 234 N CB 0.193 38.628 38.487 -0.087 0.000 1.066 234 N HN 0.301 nan 8.380 nan 0.000 0.468 235 W N 2.981 124.216 121.300 -0.108 0.000 2.804 235 W HA 0.168 4.829 4.660 0.001 0.000 0.360 235 W C 1.271 177.776 176.519 -0.024 0.000 1.386 235 W CA 0.621 57.928 57.345 -0.064 0.000 1.407 235 W CB -0.959 28.447 29.460 -0.090 0.000 1.534 235 W HN 0.810 nan 8.180 nan 0.000 0.552 236 G N 3.235 112.151 108.800 0.193 0.000 2.195 236 G HA2 -0.073 3.887 3.960 0.001 0.000 0.246 236 G HA3 -0.073 3.887 3.960 0.001 0.000 0.246 236 G C 0.116 175.062 174.900 0.078 0.000 0.984 236 G CA -0.031 45.131 45.100 0.103 0.000 0.633 236 G HN 1.463 nan 8.290 nan 0.000 0.525 237 A N 0.585 123.398 122.820 -0.010 0.000 2.984 237 A HA 0.680 5.000 4.320 0.001 0.000 0.320 237 A C -0.215 177.166 177.584 -0.339 0.000 1.142 237 A CA -0.464 51.451 52.037 -0.203 0.000 0.772 237 A CB 0.403 19.180 19.000 -0.371 0.000 1.195 237 A HN 0.455 nan 8.150 nan 0.000 0.459 238 I N 2.673 123.117 120.570 -0.209 0.000 2.371 238 I HA 0.279 4.450 4.170 0.001 0.000 0.290 238 I C 0.939 176.757 176.117 -0.499 0.000 1.028 238 I CA 0.249 61.345 61.300 -0.341 0.000 1.345 238 I CB 0.853 38.683 38.000 -0.283 0.000 1.407 238 I HN 0.620 nan 8.210 nan 0.000 0.501 239 T N 3.930 118.098 114.554 -0.643 0.000 2.837 239 T HA 0.741 5.091 4.350 0.001 0.000 0.285 239 T C -0.526 173.733 174.700 -0.736 0.000 0.984 239 T CA -0.495 61.193 62.100 -0.686 0.000 1.049 239 T CB 1.089 69.423 68.868 -0.889 0.000 0.947 239 T HN 0.193 nan 8.240 nan 0.000 0.472 240 F N -0.217 119.557 119.950 -0.293 0.000 2.613 240 F HA 0.565 5.092 4.527 0.001 0.000 0.314 240 F C 0.562 176.438 175.800 0.127 0.000 1.075 240 F CA -1.477 56.555 58.000 0.054 0.000 0.945 240 F CB 1.971 41.052 39.000 0.135 0.000 1.310 240 F HN 0.475 nan 8.300 nan 0.000 0.467 241 R N 1.221 122.102 120.500 0.634 0.000 2.491 241 R HA 0.106 4.446 4.340 0.001 0.000 0.283 241 R C 0.889 177.296 176.300 0.179 0.000 1.072 241 R CA 0.081 56.400 56.100 0.364 0.000 1.048 241 R CB 0.775 31.191 30.300 0.194 0.000 0.983 241 R HN 0.856 nan 8.270 nan 0.000 0.450 242 E N 2.970 123.224 120.200 0.090 0.000 2.114 242 E HA -0.304 4.047 4.350 0.001 0.000 0.199 242 E C 1.696 178.279 176.600 -0.027 0.000 1.008 242 E CA 1.706 58.125 56.400 0.033 0.000 0.810 242 E CB -0.266 29.444 29.700 0.017 0.000 0.739 242 E HN 0.663 nan 8.360 nan 0.000 0.456 243 I N 0.256 120.751 120.570 -0.125 0.000 2.399 243 I HA -0.331 3.839 4.170 0.001 0.000 0.254 243 I C 1.451 177.462 176.117 -0.176 0.000 1.146 243 I CA 1.439 62.617 61.300 -0.205 0.000 1.412 243 I CB 0.031 37.826 38.000 -0.343 0.000 1.076 243 I HN 0.168 nan 8.210 nan 0.000 0.432 244 Y N -1.167 119.146 120.300 0.023 0.000 2.448 244 Y HA 0.006 4.557 4.550 0.001 0.000 0.289 244 Y C 2.191 178.003 175.900 -0.146 0.000 1.114 244 Y CA 0.031 58.106 58.100 -0.043 0.000 1.235 244 Y CB 0.045 38.504 38.460 -0.001 0.000 1.045 244 Y HN 0.112 nan 8.280 nan 0.000 0.554 245 M N -0.675 118.932 119.600 0.012 0.000 2.465 245 M HA 0.027 4.508 4.480 0.001 0.000 0.249 245 M C -0.031 176.250 176.300 -0.033 0.000 1.130 245 M CA 0.763 56.020 55.300 -0.073 0.000 1.067 245 M CB -0.310 32.248 32.600 -0.069 0.000 1.394 245 M HN 0.061 nan 8.290 nan 0.000 0.483 246 D N 2.396 122.786 120.400 -0.017 0.000 3.139 246 D HA 0.222 4.863 4.640 0.001 0.000 0.268 246 D C -0.294 175.993 176.300 -0.022 0.000 1.322 246 D CA -0.104 53.884 54.000 -0.021 0.000 0.940 246 D CB 0.116 40.901 40.800 -0.025 0.000 1.050 246 D HN 0.127 nan 8.370 nan 0.000 0.503 247 I N -2.066 118.499 120.570 -0.009 0.000 3.264 247 I HA 0.965 5.136 4.170 0.001 0.000 0.309 247 I C -0.850 175.236 176.117 -0.052 0.000 1.099 247 I CA -1.402 59.879 61.300 -0.032 0.000 0.989 247 I CB 0.963 38.962 38.000 -0.003 0.000 1.250 247 I HN 0.035 nan 8.210 nan 0.000 0.478 248 A N 1.373 124.088 122.820 -0.175 0.000 2.586 248 A HA 0.420 4.740 4.320 0.001 0.000 0.291 248 A C 0.333 177.652 177.584 -0.442 0.000 1.062 248 A CA 0.054 51.957 52.037 -0.224 0.000 0.666 248 A CB 0.590 19.522 19.000 -0.114 0.000 1.281 248 A HN 0.891 nan 8.150 nan 0.000 0.421 249 E N 0.995 120.935 120.200 -0.433 0.000 2.153 249 E HA -0.229 4.121 4.350 0.001 0.000 0.194 249 E C 0.867 177.316 176.600 -0.251 0.000 0.988 249 E CA 1.456 57.606 56.400 -0.417 0.000 0.811 249 E CB -0.439 29.137 29.700 -0.207 0.000 0.746 249 E HN 0.671 nan 8.360 nan 0.000 0.466 250 N N 1.963 120.560 118.700 -0.172 0.000 2.571 250 N HA -0.085 4.655 4.740 0.001 0.000 0.189 250 N C 0.445 175.882 175.510 -0.123 0.000 1.154 250 N CA 0.718 53.696 53.050 -0.119 0.000 0.907 250 N CB -0.027 38.411 38.487 -0.082 0.000 0.977 250 N HN 0.244 nan 8.380 nan 0.000 0.449 251 S N -0.260 115.339 115.700 -0.167 0.000 2.713 251 S HA 0.650 5.120 4.470 0.001 0.000 0.283 251 S C 0.260 174.774 174.600 -0.142 0.000 1.161 251 S CA -0.669 57.446 58.200 -0.142 0.000 0.999 251 S CB 1.496 64.605 63.200 -0.151 0.000 1.039 251 S HN 0.330 nan 8.310 nan 0.000 0.548 252 A N 1.324 124.082 122.820 -0.103 0.000 2.566 252 A HA 0.264 4.584 4.320 0.001 0.000 0.245 252 A C 1.375 178.884 177.584 -0.124 0.000 1.056 252 A CA -0.274 51.714 52.037 -0.083 0.000 0.757 252 A CB -0.607 18.366 19.000 -0.045 0.000 0.979 252 A HN 1.098 nan 8.150 nan 0.000 0.508 253 V N 3.498 123.343 119.914 -0.115 0.000 2.324 253 V HA -0.274 3.847 4.120 0.001 0.000 0.250 253 V C 2.614 178.546 176.094 -0.270 0.000 1.060 253 V CA 2.770 64.951 62.300 -0.198 0.000 1.042 253 V CB -1.459 30.312 31.823 -0.086 0.000 0.650 253 V HN 0.986 nan 8.190 nan 0.000 0.450 254 T N 0.085 114.600 114.554 -0.065 0.000 2.737 254 T HA -0.187 4.164 4.350 0.001 0.000 0.269 254 T C 1.897 176.550 174.700 -0.079 0.000 1.040 254 T CA 1.718 63.823 62.100 0.009 0.000 1.142 254 T CB -0.332 68.611 68.868 0.124 0.000 0.861 254 T HN 0.337 nan 8.240 nan 0.000 0.456 255 V N 1.418 121.284 119.914 -0.081 0.000 2.307 255 V HA -0.150 3.971 4.120 0.001 0.000 0.245 255 V C 2.491 178.528 176.094 -0.094 0.000 1.045 255 V CA 1.473 63.739 62.300 -0.057 0.000 1.024 255 V CB -0.468 31.320 31.823 -0.057 0.000 0.651 255 V HN 0.470 nan 8.190 nan 0.000 0.449 256 K N -0.198 120.087 120.400 -0.192 0.000 2.063 256 K HA -0.171 4.149 4.320 0.001 0.000 0.208 256 K C 2.424 178.908 176.600 -0.193 0.000 1.048 256 K CA 1.237 57.412 56.287 -0.187 0.000 0.928 256 K CB -0.269 32.003 32.500 -0.380 0.000 0.713 256 K HN 0.298 nan 8.250 nan 0.000 0.442 257 R N 0.803 121.054 120.500 -0.415 0.000 2.066 257 R HA -0.088 4.252 4.340 0.001 0.000 0.232 257 R C 1.952 178.168 176.300 -0.140 0.000 1.131 257 R CA 1.171 56.987 56.100 -0.473 0.000 0.955 257 R CB -1.031 28.562 30.300 -1.179 0.000 0.851 257 R HN 0.449 nan 8.270 nan 0.000 0.432 258 N N 0.278 118.928 118.700 -0.083 0.000 2.084 258 N HA -0.161 4.579 4.740 0.001 0.000 0.190 258 N C 1.834 177.356 175.510 0.021 0.000 1.030 258 N CA 1.423 54.494 53.050 0.035 0.000 0.849 258 N CB 0.048 38.590 38.487 0.092 0.000 1.012 258 N HN 0.064 nan 8.380 nan 0.000 0.423 259 S N 0.054 115.778 115.700 0.039 0.000 2.368 259 S HA -0.061 4.409 4.470 0.001 0.000 0.225 259 S C 1.992 176.542 174.600 -0.083 0.000 1.030 259 S CA 1.172 59.396 58.200 0.040 0.000 0.999 259 S CB -0.359 62.910 63.200 0.115 0.000 0.844 259 S HN 0.473 nan 8.310 nan 0.000 0.459 260 A N 1.468 124.237 122.820 -0.084 0.000 1.933 260 A HA -0.107 4.214 4.320 0.001 0.000 0.218 260 A C 2.084 179.550 177.584 -0.197 0.000 1.175 260 A CA 1.650 53.599 52.037 -0.147 0.000 0.628 260 A CB -1.082 17.830 19.000 -0.146 0.000 0.814 260 A HN 0.785 nan 8.150 nan 0.000 0.444 261 N N -0.282 118.299 118.700 -0.198 0.000 2.188 261 N HA -0.122 4.619 4.740 0.001 0.000 0.184 261 N C 1.674 177.083 175.510 -0.168 0.000 1.018 261 N CA 1.292 54.178 53.050 -0.273 0.000 0.858 261 N CB -0.057 38.269 38.487 -0.268 0.000 0.989 261 N HN 0.244 nan 8.380 nan 0.000 0.426 262 V N 1.833 121.651 119.914 -0.160 0.000 2.233 262 V HA -0.255 3.865 4.120 0.001 0.000 0.247 262 V C 2.281 178.397 176.094 0.038 0.000 1.050 262 V CA 1.533 63.733 62.300 -0.168 0.000 1.010 262 V CB -0.423 31.096 31.823 -0.506 0.000 0.637 262 V HN 0.301 nan 8.190 nan 0.000 0.444 263 I N 0.483 121.053 120.570 0.000 0.000 2.118 263 I HA -0.316 3.855 4.170 0.001 0.000 0.241 263 I C 2.648 178.849 176.117 0.140 0.000 1.070 263 I CA 1.855 63.215 61.300 0.100 0.000 1.327 263 I CB -0.677 37.252 38.000 -0.119 0.000 1.034 263 I HN 0.313 nan 8.210 nan 0.000 0.405 264 A N -0.346 122.488 122.820 0.023 0.000 1.972 264 A HA -0.299 4.022 4.320 0.001 0.000 0.219 264 A C 2.138 179.829 177.584 0.179 0.000 1.169 264 A CA 2.087 54.163 52.037 0.065 0.000 0.635 264 A CB -1.077 17.819 19.000 -0.173 0.000 0.810 264 A HN 0.610 nan 8.150 nan 0.000 0.446 265 H N -0.369 118.708 119.070 0.012 0.000 2.293 265 H HA -0.105 4.452 4.556 0.001 0.000 0.300 265 H C 2.027 177.375 175.328 0.033 0.000 1.082 265 H CA 1.807 57.852 56.048 -0.006 0.000 1.308 265 H CB 0.097 29.849 29.762 -0.016 0.000 1.375 265 H HN 0.371 nan 8.280 nan 0.000 0.495 266 E N 0.595 121.012 120.200 0.363 0.000 2.077 266 E HA -0.152 4.198 4.350 0.001 0.000 0.193 266 E C 2.514 179.279 176.600 0.274 0.000 0.989 266 E CA 1.135 57.740 56.400 0.342 0.000 0.800 266 E CB -0.263 29.560 29.700 0.204 0.000 0.746 266 E HN 0.628 nan 8.360 nan 0.000 0.452 267 I N 1.204 121.937 120.570 0.273 0.000 2.361 267 I HA -0.240 3.931 4.170 0.001 0.000 0.251 267 I C 2.388 178.672 176.117 0.277 0.000 1.133 267 I CA 0.858 62.346 61.300 0.313 0.000 1.413 267 I CB -0.276 37.948 38.000 0.373 0.000 1.073 267 I HN -0.006 nan 8.210 nan 0.000 0.424 268 A N 0.127 122.952 122.820 0.007 0.000 1.933 268 A HA -0.251 4.070 4.320 0.001 0.000 0.218 268 A C 2.126 179.811 177.584 0.168 0.000 1.175 268 A CA 1.542 53.408 52.037 -0.286 0.000 0.628 268 A CB -0.831 17.988 19.000 -0.301 0.000 0.814 268 A HN 0.412 nan 8.150 nan 0.000 0.444 269 H N -0.053 119.122 119.070 0.175 0.000 2.489 269 H HA -0.073 4.484 4.556 0.001 0.000 0.293 269 H C 1.803 177.200 175.328 0.114 0.000 1.066 269 H CA 1.446 57.590 56.048 0.159 0.000 1.305 269 H CB -0.067 29.756 29.762 0.102 0.000 1.386 269 H HN 0.506 nan 8.280 nan 0.000 0.551 270 Q N -0.944 119.056 119.800 0.334 0.000 2.443 270 Q HA -0.164 4.177 4.340 0.001 0.000 0.213 270 Q C 1.750 177.756 176.000 0.010 0.000 0.982 270 Q CA 0.768 56.714 55.803 0.238 0.000 0.894 270 Q CB 0.014 28.910 28.738 0.264 0.000 0.947 270 Q HN 0.644 nan 8.270 nan 0.000 0.480 271 W N -1.420 119.952 121.300 0.119 0.000 3.434 271 W HA 0.179 4.839 4.660 0.001 0.000 0.238 271 W C 0.285 176.700 176.519 -0.172 0.000 0.910 271 W CA -0.625 56.687 57.345 -0.055 0.000 2.222 271 W CB -0.527 28.808 29.460 -0.208 0.000 1.131 271 W HN -0.082 nan 8.180 nan 0.000 0.636 272 F N 1.569 121.541 119.950 0.037 0.000 2.464 272 F HA 0.411 4.938 4.527 0.001 0.000 0.353 272 F C 0.898 176.712 175.800 0.022 0.000 1.191 272 F CA 1.804 59.750 58.000 -0.090 0.000 1.147 272 F CB 0.008 38.898 39.000 -0.183 0.000 1.294 272 F HN 0.286 nan 8.300 nan 0.000 0.583 273 G N 3.559 112.195 108.800 -0.272 0.000 2.796 273 G HA2 -0.266 3.694 3.960 0.001 0.000 0.198 273 G HA3 -0.266 3.694 3.960 0.001 0.000 0.198 273 G C 0.762 175.436 174.900 -0.378 0.000 1.062 273 G CA 0.203 45.180 45.100 -0.206 0.000 0.752 273 G HN 0.482 nan 8.290 nan 0.000 0.487 274 D N 0.254 120.340 120.400 -0.523 0.000 2.414 274 D HA 0.244 4.885 4.640 0.001 0.000 0.237 274 D C 2.452 177.929 176.300 -1.371 0.000 0.975 274 D CA 0.590 53.955 54.000 -1.059 0.000 0.917 274 D CB -0.102 39.828 40.800 -1.449 0.000 1.061 274 D HN 0.268 nan 8.370 nan 0.000 0.480 275 L N 0.507 121.142 121.223 -0.982 0.000 2.072 275 L HA 0.029 4.370 4.340 0.001 0.000 0.205 275 L C -0.095 176.432 176.870 -0.571 0.000 1.079 275 L CA 1.009 55.419 54.840 -0.717 0.000 0.752 275 L CB 0.365 42.185 42.059 -0.397 0.000 0.906 275 L HN -0.164 nan 8.230 nan 0.000 0.436 276 V N 0.111 119.716 119.914 -0.515 0.000 2.407 276 V HA 0.295 4.415 4.120 0.001 0.000 0.291 276 V C -0.346 175.446 176.094 -0.504 0.000 1.018 276 V CA -0.568 61.436 62.300 -0.493 0.000 0.842 276 V CB 1.570 33.051 31.823 -0.571 0.000 0.996 276 V HN 0.127 nan 8.190 nan 0.000 0.426 277 T N 5.871 120.183 114.554 -0.404 0.000 2.925 277 T HA 0.573 4.923 4.350 0.001 0.000 0.285 277 T C 0.092 174.597 174.700 -0.324 0.000 1.021 277 T CA -0.604 61.295 62.100 -0.335 0.000 1.042 277 T CB 1.571 70.304 68.868 -0.225 0.000 1.037 277 T HN 0.748 nan 8.240 nan 0.000 0.481 278 M N 1.327 120.737 119.600 -0.318 0.000 2.240 278 M HA 0.393 4.874 4.480 0.001 0.000 0.333 278 M C 0.683 176.833 176.300 -0.250 0.000 1.110 278 M CA -0.144 54.980 55.300 -0.295 0.000 1.173 278 M CB 0.793 33.209 32.600 -0.307 0.000 1.458 278 M HN 0.465 nan 8.290 nan 0.000 0.458 279 K N 1.318 121.628 120.400 -0.150 0.000 2.062 279 K HA 0.052 4.372 4.320 0.001 0.000 0.205 279 K C 0.112 176.766 176.600 0.089 0.000 1.051 279 K CA 1.402 57.671 56.287 -0.029 0.000 0.941 279 K CB 0.225 32.728 32.500 0.005 0.000 0.719 279 K HN 0.754 nan 8.250 nan 0.000 0.440 280 W N -1.232 119.920 121.300 -0.247 0.000 3.118 280 W HA 0.050 4.710 4.660 0.001 0.000 0.328 280 W C -1.179 175.146 176.519 -0.323 0.000 1.239 280 W CA -1.070 56.094 57.345 -0.302 0.000 1.176 280 W CB 0.733 30.166 29.460 -0.044 0.000 1.433 280 W HN -0.002 nan 8.180 nan 0.000 0.562 281 W N 2.334 123.023 121.300 -1.018 0.000 2.662 281 W HA -0.168 4.492 4.660 0.001 0.000 0.249 281 W C 2.042 178.352 176.519 -0.349 0.000 1.251 281 W CA 1.225 58.131 57.345 -0.732 0.000 1.277 281 W CB -0.498 28.403 29.460 -0.932 0.000 1.140 281 W HN 0.398 nan 8.180 nan 0.000 0.645 282 N N -0.037 118.640 118.700 -0.037 0.000 2.381 282 N HA -0.152 4.588 4.740 0.001 0.000 0.182 282 N C 0.688 176.361 175.510 0.272 0.000 1.025 282 N CA 1.090 54.273 53.050 0.222 0.000 0.888 282 N CB -0.321 38.385 38.487 0.365 0.000 0.965 282 N HN 0.052 nan 8.380 nan 0.000 0.438 283 D N 0.366 120.835 120.400 0.115 0.000 2.395 283 D HA 0.083 4.723 4.640 0.001 0.000 0.226 283 D C 1.421 177.665 176.300 -0.093 0.000 1.146 283 D CA -0.207 53.786 54.000 -0.011 0.000 0.830 283 D CB 0.295 41.040 40.800 -0.091 0.000 0.958 283 D HN 0.273 nan 8.370 nan 0.000 0.501 284 L N 0.855 122.138 121.223 0.099 0.000 2.083 284 L HA -0.092 4.248 4.340 0.001 0.000 0.209 284 L C 2.185 179.233 176.870 0.296 0.000 1.083 284 L CA 1.200 56.162 54.840 0.204 0.000 0.752 284 L CB -0.396 41.861 42.059 0.330 0.000 0.899 284 L HN 0.351 nan 8.230 nan 0.000 0.433 285 W N -0.159 121.342 121.300 0.336 0.000 2.358 285 W HA -0.236 4.424 4.660 0.001 0.000 0.303 285 W C 1.959 178.713 176.519 0.392 0.000 1.208 285 W CA 0.410 58.005 57.345 0.417 0.000 1.274 285 W CB -1.234 28.362 29.460 0.227 0.000 1.138 285 W HN 0.107 nan 8.180 nan 0.000 0.515 286 L N 1.913 122.439 121.223 -1.161 0.000 2.093 286 L HA -0.216 4.124 4.340 0.001 0.000 0.208 286 L C 2.400 179.167 176.870 -0.172 0.000 1.085 286 L CA 2.263 56.456 54.840 -1.078 0.000 0.755 286 L CB -1.059 40.297 42.059 -1.173 0.000 0.904 286 L HN 0.185 nan 8.230 nan 0.000 0.435 287 N N -0.572 118.141 118.700 0.022 0.000 2.069 287 N HA -0.226 4.515 4.740 0.001 0.000 0.191 287 N C 1.488 177.214 175.510 0.359 0.000 1.031 287 N CA 1.336 54.577 53.050 0.318 0.000 0.852 287 N CB 0.207 38.836 38.487 0.235 0.000 1.018 287 N HN 0.372 nan 8.380 nan 0.000 0.423 288 E N 0.251 120.602 120.200 0.252 0.000 2.112 288 E HA -0.016 4.335 4.350 0.001 0.000 0.190 288 E C 2.066 178.767 176.600 0.167 0.000 0.979 288 E CA 0.385 56.882 56.400 0.162 0.000 0.814 288 E CB -0.221 29.335 29.700 -0.241 0.000 0.762 288 E HN 0.270 nan 8.360 nan 0.000 0.460 289 S N 0.849 116.707 115.700 0.263 0.000 2.368 289 S HA -0.107 4.364 4.470 0.001 0.000 0.225 289 S C 1.650 176.391 174.600 0.235 0.000 1.030 289 S CA 0.726 59.125 58.200 0.332 0.000 0.999 289 S CB -0.326 63.157 63.200 0.471 0.000 0.844 289 S HN 0.228 nan 8.310 nan 0.000 0.459 290 F N 2.389 122.303 119.950 -0.060 0.000 2.069 290 F HA -0.148 4.379 4.527 0.001 0.000 0.298 290 F C 2.356 178.076 175.800 -0.132 0.000 1.113 290 F CA 1.245 59.114 58.000 -0.219 0.000 1.214 290 F CB -0.706 37.769 39.000 -0.875 0.000 0.978 290 F HN 0.186 nan 8.300 nan 0.000 0.474 291 A N -0.838 121.900 122.820 -0.137 0.000 1.933 291 A HA -0.178 4.142 4.320 0.001 0.000 0.218 291 A C 2.167 179.515 177.584 -0.393 0.000 1.175 291 A CA 2.262 53.990 52.037 -0.516 0.000 0.628 291 A CB -1.384 16.855 19.000 -1.267 0.000 0.814 291 A HN 0.447 nan 8.150 nan 0.000 0.444 292 T N -0.910 113.618 114.554 -0.044 0.000 2.777 292 T HA -0.101 4.249 4.350 0.001 0.000 0.266 292 T C 1.607 176.472 174.700 0.275 0.000 1.040 292 T CA 1.454 63.743 62.100 0.316 0.000 1.141 292 T CB -0.397 68.746 68.868 0.459 0.000 0.868 292 T HN 0.517 nan 8.240 nan 0.000 0.444 293 F N 1.836 121.801 119.950 0.025 0.000 2.069 293 F HA -0.132 4.395 4.527 0.001 0.000 0.298 293 F C 2.135 177.851 175.800 -0.141 0.000 1.113 293 F CA 1.314 59.276 58.000 -0.064 0.000 1.214 293 F CB -0.285 38.623 39.000 -0.154 0.000 0.978 293 F HN -0.031 nan 8.300 nan 0.000 0.474 294 M N 0.669 120.095 119.600 -0.289 0.000 2.279 294 M HA -0.140 4.341 4.480 0.001 0.000 0.264 294 M C 2.511 178.611 176.300 -0.334 0.000 1.062 294 M CA 1.642 56.731 55.300 -0.352 0.000 1.099 294 M CB -1.774 30.726 32.600 -0.166 0.000 1.394 294 M HN 0.445 nan 8.290 nan 0.000 0.426 295 S N -0.635 114.905 115.700 -0.267 0.000 2.387 295 S HA -0.125 4.345 4.470 0.001 0.000 0.226 295 S C 1.974 176.175 174.600 -0.665 0.000 1.026 295 S CA 0.764 58.756 58.200 -0.347 0.000 0.972 295 S CB -0.804 62.279 63.200 -0.196 0.000 0.814 295 S HN 0.420 nan 8.310 nan 0.000 0.477 296 Y N 2.286 122.184 120.300 -0.669 0.000 2.263 296 Y HA 0.105 4.655 4.550 0.001 0.000 0.292 296 Y C 2.656 177.775 175.900 -1.303 0.000 1.130 296 Y CA 1.353 58.830 58.100 -1.039 0.000 1.179 296 Y CB -0.255 37.393 38.460 -1.353 0.000 0.998 296 Y HN 0.272 nan 8.280 nan 0.000 0.532 297 K N -0.170 119.662 120.400 -0.946 0.000 2.063 297 K HA -0.182 4.139 4.320 0.001 0.000 0.208 297 K C 1.806 177.890 176.600 -0.860 0.000 1.048 297 K CA 2.009 57.924 56.287 -0.620 0.000 0.928 297 K CB -0.296 31.865 32.500 -0.565 0.000 0.713 297 K HN 0.207 nan 8.250 nan 0.000 0.442 298 T N 1.638 115.515 114.554 -1.128 0.000 2.643 298 T HA -0.138 4.213 4.350 0.001 0.000 0.264 298 T C 1.843 175.851 174.700 -1.153 0.000 1.045 298 T CA 1.570 62.707 62.100 -1.605 0.000 1.155 298 T CB -0.095 67.977 68.868 -1.326 0.000 0.863 298 T HN 0.186 nan 8.240 nan 0.000 0.420 299 M N 1.374 120.361 119.600 -1.023 0.000 2.213 299 M HA -0.066 4.415 4.480 0.001 0.000 0.263 299 M C 2.057 177.910 176.300 -0.746 0.000 1.062 299 M CA 1.196 55.872 55.300 -1.040 0.000 1.105 299 M CB -1.235 30.230 32.600 -1.890 0.000 1.385 299 M HN 0.242 nan 8.290 nan 0.000 0.417 300 D N -0.073 119.946 120.400 -0.636 0.000 2.144 300 D HA -0.114 4.526 4.640 0.001 0.000 0.200 300 D C 1.624 177.846 176.300 -0.130 0.000 0.978 300 D CA 1.574 55.450 54.000 -0.207 0.000 0.833 300 D CB 0.217 40.877 40.800 -0.233 0.000 0.961 300 D HN 0.255 nan 8.370 nan 0.000 0.470 301 T N -0.006 114.372 114.554 -0.293 0.000 2.777 301 T HA -0.032 4.319 4.350 0.001 0.000 0.266 301 T C 2.000 176.549 174.700 -0.251 0.000 1.040 301 T CA 0.793 62.775 62.100 -0.197 0.000 1.141 301 T CB -0.152 68.599 68.868 -0.194 0.000 0.868 301 T HN 0.162 nan 8.240 nan 0.000 0.444 302 L N -0.807 120.153 121.223 -0.438 0.000 2.072 302 L HA 0.137 4.478 4.340 0.001 0.000 0.205 302 L C 0.406 176.790 176.870 -0.809 0.000 1.079 302 L CA 1.101 55.542 54.840 -0.666 0.000 0.752 302 L CB -0.207 41.326 42.059 -0.877 0.000 0.906 302 L HN 0.218 nan 8.230 nan 0.000 0.436 303 F N 0.019 119.937 119.950 -0.054 0.000 2.523 303 F HA 0.295 4.823 4.527 0.001 0.000 0.322 303 F C -1.466 174.461 175.800 0.212 0.000 1.361 303 F CA -1.733 56.334 58.000 0.113 0.000 1.151 303 F CB 0.264 39.396 39.000 0.219 0.000 1.391 303 F HN -0.157 nan 8.300 nan 0.000 0.566 304 P HA -0.197 nan 4.420 nan 0.000 0.219 304 P C 0.701 178.147 177.300 0.244 0.000 1.146 304 P CA 1.547 64.773 63.100 0.210 0.000 0.808 304 P CB 0.380 32.153 31.700 0.120 0.000 0.779 305 E N -1.849 118.508 120.200 0.262 0.000 2.489 305 E HA -0.055 4.295 4.350 0.001 0.000 0.193 305 E C 1.536 178.286 176.600 0.250 0.000 1.057 305 E CA -0.087 56.444 56.400 0.219 0.000 0.866 305 E CB -0.317 29.491 29.700 0.179 0.000 0.916 305 E HN 0.455 nan 8.360 nan 0.000 0.500 306 W N 0.910 122.284 121.300 0.124 0.000 2.737 306 W HA 0.028 4.688 4.660 0.001 0.000 0.262 306 W C 0.451 176.954 176.519 -0.028 0.000 1.282 306 W CA 0.976 58.312 57.345 -0.015 0.000 1.386 306 W CB 0.521 29.911 29.460 -0.116 0.000 1.099 306 W HN -0.117 nan 8.180 nan 0.000 0.621 307 S N 0.722 116.524 115.700 0.169 0.000 3.866 307 S HA -0.270 4.200 4.470 0.001 0.000 0.427 307 S C 0.364 175.044 174.600 0.133 0.000 0.891 307 S CA 0.507 58.783 58.200 0.127 0.000 1.275 307 S CB -2.072 61.147 63.200 0.031 0.000 0.872 307 S HN 0.275 nan 8.310 nan 0.000 0.562 308 F N 0.153 120.249 119.950 0.243 0.000 2.234 308 F HA 0.056 4.583 4.527 0.001 0.000 0.299 308 F C 1.865 177.790 175.800 0.208 0.000 1.087 308 F CA 1.834 59.985 58.000 0.253 0.000 1.340 308 F CB -0.235 38.776 39.000 0.019 0.000 1.031 308 F HN 0.636 nan 8.300 nan 0.000 0.500 309 W N -0.324 121.203 121.300 0.379 0.000 2.425 309 W HA -0.040 4.620 4.660 0.001 0.000 0.277 309 W C 2.497 179.151 176.519 0.225 0.000 1.231 309 W CA 0.802 58.288 57.345 0.235 0.000 1.248 309 W CB -0.833 28.696 29.460 0.115 0.000 1.117 309 W HN -0.034 nan 8.180 nan 0.000 0.568 310 G N -0.087 108.916 108.800 0.339 0.000 2.403 310 G HA2 -0.221 3.740 3.960 0.001 0.000 0.216 310 G HA3 -0.221 3.740 3.960 0.001 0.000 0.216 310 G C 1.079 176.083 174.900 0.174 0.000 1.154 310 G CA 1.247 46.453 45.100 0.176 0.000 0.784 310 G HN 0.085 nan 8.290 nan 0.000 0.538 311 D N -0.038 120.482 120.400 0.201 0.000 2.144 311 D HA -0.078 4.562 4.640 0.001 0.000 0.200 311 D C 1.897 178.316 176.300 0.198 0.000 0.978 311 D CA 0.337 54.466 54.000 0.215 0.000 0.833 311 D CB -0.317 40.685 40.800 0.338 0.000 0.961 311 D HN 0.302 nan 8.370 nan 0.000 0.470 312 F N 0.396 120.323 119.950 -0.038 0.000 2.102 312 F HA -0.175 4.353 4.527 0.001 0.000 0.298 312 F C 2.078 177.835 175.800 -0.072 0.000 1.105 312 F CA 1.097 58.864 58.000 -0.387 0.000 1.239 312 F CB -0.448 38.165 39.000 -0.645 0.000 0.991 312 F HN -0.101 nan 8.300 nan 0.000 0.474 313 F N 0.239 120.173 119.950 -0.027 0.000 2.102 313 F HA -0.175 4.352 4.527 0.001 0.000 0.298 313 F C 2.159 177.851 175.800 -0.181 0.000 1.105 313 F CA 1.972 59.895 58.000 -0.128 0.000 1.239 313 F CB -0.633 38.367 39.000 0.001 0.000 0.991 313 F HN -0.167 nan 8.300 nan 0.000 0.474 314 V N -0.314 119.669 119.914 0.114 0.000 2.427 314 V HA -0.236 3.885 4.120 0.001 0.000 0.248 314 V C 2.324 178.366 176.094 -0.087 0.000 1.051 314 V CA 1.964 64.277 62.300 0.022 0.000 1.048 314 V CB -0.741 31.104 31.823 0.037 0.000 0.666 314 V HN 0.562 nan 8.190 nan 0.000 0.456 315 S N -1.551 114.097 115.700 -0.087 0.000 2.535 315 S HA 0.156 4.627 4.470 0.001 0.000 0.214 315 S C 1.672 176.174 174.600 -0.163 0.000 0.980 315 S CA 0.066 58.225 58.200 -0.069 0.000 0.907 315 S CB 0.402 63.630 63.200 0.046 0.000 0.790 315 S HN 0.442 nan 8.310 nan 0.000 0.510 316 R N 0.486 120.764 120.500 -0.371 0.000 3.609 316 R HA 0.361 4.701 4.340 0.001 0.000 0.149 316 R C 2.219 178.208 176.300 -0.519 0.000 0.948 316 R CA 1.373 57.191 56.100 -0.470 0.000 1.014 316 R CB -0.899 28.911 30.300 -0.818 0.000 1.404 316 R HN 0.300 nan 8.270 nan 0.000 0.493 317 T N 0.270 114.353 114.554 -0.784 0.000 2.607 317 T HA -0.222 4.128 4.350 0.001 0.000 0.267 317 T C 1.823 176.113 174.700 -0.684 0.000 1.049 317 T CA 2.069 63.738 62.100 -0.718 0.000 1.162 317 T CB -0.673 67.573 68.868 -1.035 0.000 0.863 317 T HN 0.211 nan 8.240 nan 0.000 0.424 318 S N 0.678 115.852 115.700 -0.877 0.000 2.372 318 S HA -0.149 4.321 4.470 0.001 0.000 0.227 318 S C 2.376 176.804 174.600 -0.286 0.000 1.044 318 S CA 1.937 59.814 58.200 -0.539 0.000 1.050 318 S CB -1.052 61.950 63.200 -0.329 0.000 0.901 318 S HN 0.641 nan 8.310 nan 0.000 0.447 319 G N 0.436 109.100 108.800 -0.227 0.000 2.422 319 G HA2 -0.012 3.948 3.960 0.001 0.000 0.218 319 G HA3 -0.012 3.948 3.960 0.001 0.000 0.218 319 G C 1.657 176.510 174.900 -0.080 0.000 1.146 319 G CA 1.028 46.054 45.100 -0.123 0.000 0.769 319 G HN 0.709 nan 8.290 nan 0.000 0.547 320 A N 0.719 123.486 122.820 -0.087 0.000 1.877 320 A HA 0.097 4.417 4.320 0.001 0.000 0.216 320 A C 2.420 180.059 177.584 0.092 0.000 1.186 320 A CA 1.264 53.318 52.037 0.029 0.000 0.620 320 A CB -0.485 18.554 19.000 0.065 0.000 0.822 320 A HN 0.337 nan 8.150 nan 0.000 0.443 321 L N -0.973 120.193 121.223 -0.095 0.000 2.127 321 L HA -0.212 4.128 4.340 0.001 0.000 0.211 321 L C 2.788 179.701 176.870 0.072 0.000 1.089 321 L CA 1.777 56.430 54.840 -0.312 0.000 0.757 321 L CB -0.432 41.285 42.059 -0.570 0.000 0.899 321 L HN 0.482 nan 8.230 nan 0.000 0.434 322 R N -0.309 120.207 120.500 0.028 0.000 2.055 322 R HA -0.122 4.219 4.340 0.001 0.000 0.228 322 R C 2.483 178.839 176.300 0.093 0.000 1.143 322 R CA 1.727 57.871 56.100 0.073 0.000 0.945 322 R CB -0.151 30.154 30.300 0.008 0.000 0.841 322 R HN 0.171 nan 8.270 nan 0.000 0.429 323 S N 0.901 116.637 115.700 0.060 0.000 2.370 323 S HA -0.160 4.311 4.470 0.001 0.000 0.226 323 S C 1.264 175.911 174.600 0.078 0.000 1.033 323 S CA 1.597 59.824 58.200 0.044 0.000 1.011 323 S CB -0.363 62.844 63.200 0.011 0.000 0.852 323 S HN 0.387 nan 8.310 nan 0.000 0.457 324 D N 0.812 121.318 120.400 0.177 0.000 2.378 324 D HA 0.019 4.660 4.640 0.001 0.000 0.227 324 D C 1.433 177.877 176.300 0.239 0.000 1.012 324 D CA 0.445 54.603 54.000 0.264 0.000 0.905 324 D CB -0.081 41.022 40.800 0.504 0.000 0.895 324 D HN 0.449 nan 8.370 nan 0.000 0.532 325 S N -1.367 114.434 115.700 0.169 0.000 2.578 325 S HA 0.232 4.703 4.470 0.001 0.000 0.231 325 S C 0.482 175.040 174.600 -0.070 0.000 0.994 325 S CA -0.604 57.594 58.200 -0.003 0.000 0.956 325 S CB 0.034 63.296 63.200 0.103 0.000 0.870 325 S HN 0.029 nan 8.310 nan 0.000 0.494 326 L N 1.641 122.853 121.223 -0.020 0.000 2.331 326 L HA 0.531 4.872 4.340 0.001 0.000 0.268 326 L C 1.512 178.364 176.870 -0.030 0.000 1.015 326 L CA -1.027 53.793 54.840 -0.034 0.000 0.807 326 L CB 1.126 43.178 42.059 -0.013 0.000 1.293 326 L HN 0.112 nan 8.230 nan 0.000 0.451 327 K N -0.654 119.729 120.400 -0.029 0.000 2.288 327 K HA -0.003 4.317 4.320 0.001 0.000 0.201 327 K C 0.349 176.947 176.600 -0.003 0.000 1.048 327 K CA 0.908 57.183 56.287 -0.020 0.000 0.956 327 K CB -0.043 32.444 32.500 -0.022 0.000 0.746 327 K HN 0.441 nan 8.250 nan 0.000 0.461 328 N N 2.012 120.714 118.700 0.003 0.000 2.466 328 N HA 0.005 4.745 4.740 0.001 0.000 0.251 328 N C -0.448 175.075 175.510 0.021 0.000 1.164 328 N CA 0.218 53.281 53.050 0.021 0.000 0.888 328 N CB 0.765 39.269 38.487 0.027 0.000 1.177 328 N HN 0.259 nan 8.380 nan 0.000 0.498 329 T N 0.160 114.709 114.554 -0.008 0.000 2.852 329 T HA 0.370 4.720 4.350 0.001 0.000 0.281 329 T C -0.649 174.023 174.700 -0.048 0.000 0.993 329 T CA -0.157 61.887 62.100 -0.095 0.000 0.933 329 T CB 0.676 69.502 68.868 -0.071 0.000 1.187 329 T HN 0.548 nan 8.240 nan 0.000 0.559 330 H N -1.314 117.769 119.070 0.022 0.000 3.064 330 H HA 0.614 5.170 4.556 0.001 0.000 0.352 330 H C -3.137 172.183 175.328 -0.014 0.000 1.260 330 H CA -1.905 54.143 56.048 -0.000 0.000 1.160 330 H CB -0.134 29.621 29.762 -0.011 0.000 1.879 330 H HN 0.372 nan 8.280 nan 0.000 0.544 331 P HA 0.099 nan 4.420 nan 0.000 0.271 331 P C 0.713 178.046 177.300 0.056 0.000 1.244 331 P CA -0.378 62.754 63.100 0.052 0.000 0.793 331 P CB 1.613 33.306 31.700 -0.012 0.000 0.984 332 I N -0.860 119.631 120.570 -0.132 0.000 2.163 332 I HA -0.142 4.028 4.170 0.001 0.000 0.240 332 I C 1.537 177.458 176.117 -0.326 0.000 1.081 332 I CA 1.054 62.150 61.300 -0.340 0.000 1.353 332 I CB -0.531 36.989 38.000 -0.799 0.000 1.054 332 I HN 0.472 nan 8.210 nan 0.000 0.407 333 E N 2.504 122.546 120.200 -0.263 0.000 2.498 333 E HA 0.085 4.436 4.350 0.001 0.000 0.252 333 E C -1.163 175.438 176.600 0.001 0.000 1.025 333 E CA 0.033 56.388 56.400 -0.074 0.000 0.938 333 E CB 0.527 30.228 29.700 0.001 0.000 0.947 333 E HN 0.006 nan 8.360 nan 0.000 0.478 334 V N 4.412 124.364 119.914 0.063 0.000 2.656 334 V HA 0.095 4.216 4.120 0.001 0.000 0.307 334 V C -0.490 175.675 176.094 0.119 0.000 1.051 334 V CA -0.913 61.419 62.300 0.053 0.000 0.893 334 V CB 1.954 33.781 31.823 0.006 0.000 0.999 334 V HN 0.720 nan 8.190 nan 0.000 0.426 335 D N 3.033 123.496 120.400 0.104 0.000 2.470 335 D HA 0.258 4.899 4.640 0.001 0.000 0.226 335 D C -0.143 176.267 176.300 0.183 0.000 1.196 335 D CA 0.169 54.259 54.000 0.150 0.000 0.979 335 D CB 0.534 41.399 40.800 0.108 0.000 1.059 335 D HN 0.278 nan 8.370 nan 0.000 0.515 336 V N 4.024 124.091 119.914 0.256 0.000 2.521 336 V HA 0.149 4.269 4.120 0.001 0.000 0.286 336 V C 1.327 177.703 176.094 0.470 0.000 1.034 336 V CA 0.076 62.542 62.300 0.276 0.000 1.045 336 V CB 1.348 33.281 31.823 0.183 0.000 0.974 336 V HN 0.433 nan 8.190 nan 0.000 0.480 337 R N 3.414 124.113 120.500 0.333 0.000 2.215 337 R HA 0.185 4.525 4.340 0.001 0.000 0.190 337 R C 0.267 176.777 176.300 0.349 0.000 0.968 337 R CA 0.332 56.635 56.100 0.337 0.000 1.122 337 R CB 0.025 30.431 30.300 0.176 0.000 1.151 337 R HN 0.750 nan 8.270 nan 0.000 0.582 338 D N 1.221 121.740 120.400 0.197 0.000 2.392 338 D HA 0.293 4.934 4.640 0.001 0.000 0.228 338 D C -2.335 173.969 176.300 0.007 0.000 1.074 338 D CA -2.463 51.609 54.000 0.119 0.000 0.838 338 D CB 1.547 42.381 40.800 0.056 0.000 1.067 338 D HN -0.034 nan 8.370 nan 0.000 0.511 339 P HA 0.094 nan 4.420 nan 0.000 0.232 339 P C -1.105 175.973 177.300 -0.370 0.000 1.606 339 P CA 0.442 63.283 63.100 -0.431 0.000 1.105 339 P CB 0.083 31.450 31.700 -0.555 0.000 1.919 340 D N 1.442 121.698 120.400 -0.240 0.000 3.404 340 D HA 0.005 4.645 4.640 0.001 0.000 0.329 340 D C 0.064 176.297 176.300 -0.110 0.000 1.421 340 D CA -0.017 53.877 54.000 -0.175 0.000 0.742 340 D CB 0.614 41.347 40.800 -0.111 0.000 1.290 340 D HN 0.225 nan 8.370 nan 0.000 0.600 341 E N 0.383 120.515 120.200 -0.113 0.000 2.394 341 E HA 0.084 4.434 4.350 0.001 0.000 0.191 341 E C 1.691 178.312 176.600 0.036 0.000 1.044 341 E CA -0.391 55.993 56.400 -0.027 0.000 0.939 341 E CB 0.415 30.112 29.700 -0.005 0.000 1.089 341 E HN 0.265 nan 8.360 nan 0.000 0.456 342 I N 0.428 120.989 120.570 -0.014 0.000 2.530 342 I HA -0.178 3.992 4.170 0.001 0.000 0.257 342 I C 0.185 176.325 176.117 0.038 0.000 1.179 342 I CA 1.226 62.515 61.300 -0.018 0.000 1.440 342 I CB -0.075 37.833 38.000 -0.153 0.000 1.087 342 I HN -0.000 nan 8.210 nan 0.000 0.440 343 S N 0.449 116.170 115.700 0.035 0.000 2.601 343 S HA 0.185 4.655 4.470 0.001 0.000 0.244 343 S C 0.999 175.634 174.600 0.058 0.000 1.001 343 S CA -0.422 57.809 58.200 0.052 0.000 0.984 343 S CB 0.804 64.013 63.200 0.014 0.000 0.842 343 S HN 0.527 nan 8.310 nan 0.000 0.474 344 Q N 0.723 120.565 119.800 0.070 0.000 2.006 344 Q HA 0.323 4.663 4.340 0.001 0.000 0.158 344 Q C 1.377 177.384 176.000 0.012 0.000 0.530 344 Q CA 0.050 55.864 55.803 0.019 0.000 0.784 344 Q CB -0.507 28.229 28.738 -0.004 0.000 1.031 344 Q HN 0.402 nan 8.270 nan 0.000 0.368 345 I N 1.361 121.959 120.570 0.047 0.000 2.614 345 I HA -0.064 4.106 4.170 0.001 0.000 0.258 345 I C 1.259 177.367 176.117 -0.016 0.000 1.189 345 I CA 0.819 62.144 61.300 0.042 0.000 1.462 345 I CB -0.208 37.871 38.000 0.131 0.000 1.092 345 I HN 0.214 nan 8.210 nan 0.000 0.442 346 F N 1.588 121.536 119.950 -0.003 0.000 2.811 346 F HA 0.105 4.632 4.527 0.001 0.000 0.292 346 F C 0.876 176.643 175.800 -0.055 0.000 1.240 346 F CA -0.279 57.766 58.000 0.075 0.000 1.422 346 F CB -0.658 38.477 39.000 0.225 0.000 1.045 346 F HN 0.056 nan 8.300 nan 0.000 0.512 347 D N 1.103 121.392 120.400 -0.185 0.000 2.304 347 D HA -0.047 4.593 4.640 0.001 0.000 0.247 347 D C 1.270 177.474 176.300 -0.160 0.000 1.089 347 D CA 0.061 54.027 54.000 -0.057 0.000 0.910 347 D CB 1.164 42.013 40.800 0.081 0.000 1.199 347 D HN 0.467 nan 8.370 nan 0.000 0.426 348 E N 2.539 122.736 120.200 -0.005 0.000 2.070 348 E HA -0.220 4.131 4.350 0.001 0.000 0.197 348 E C 1.903 178.481 176.600 -0.037 0.000 1.004 348 E CA 1.404 57.808 56.400 0.007 0.000 0.805 348 E CB 0.059 29.780 29.700 0.035 0.000 0.744 348 E HN 0.611 nan 8.360 nan 0.000 0.451 349 I N 0.629 121.163 120.570 -0.061 0.000 2.315 349 I HA -0.221 3.950 4.170 0.001 0.000 0.248 349 I C 2.549 178.603 176.117 -0.105 0.000 1.117 349 I CA 0.808 62.051 61.300 -0.095 0.000 1.404 349 I CB -0.275 37.610 38.000 -0.191 0.000 1.071 349 I HN 0.044 nan 8.210 nan 0.000 0.419 350 S N 0.395 116.015 115.700 -0.133 0.000 2.365 350 S HA -0.211 4.260 4.470 0.001 0.000 0.225 350 S C 1.903 176.488 174.600 -0.025 0.000 1.039 350 S CA 1.709 59.803 58.200 -0.178 0.000 1.033 350 S CB -0.419 62.547 63.200 -0.391 0.000 0.887 350 S HN 0.373 nan 8.310 nan 0.000 0.447 351 Y N 1.260 121.611 120.300 0.085 0.000 2.262 351 Y HA 0.266 4.816 4.550 0.001 0.000 0.295 351 Y C 2.781 178.733 175.900 0.087 0.000 1.121 351 Y CA -0.107 58.064 58.100 0.118 0.000 1.144 351 Y CB -1.451 37.026 38.460 0.027 0.000 1.043 351 Y HN 0.265 nan 8.280 nan 0.000 0.528 352 G N 0.332 109.214 108.800 0.138 0.000 2.459 352 G HA2 -0.321 3.640 3.960 0.001 0.000 0.217 352 G HA3 -0.321 3.640 3.960 0.001 0.000 0.217 352 G C 1.769 176.617 174.900 -0.087 0.000 1.183 352 G CA 1.308 46.405 45.100 -0.005 0.000 0.776 352 G HN 0.341 nan 8.290 nan 0.000 0.552 353 K N 0.302 120.599 120.400 -0.172 0.000 2.057 353 K HA 0.012 4.333 4.320 0.001 0.000 0.206 353 K C 2.659 179.076 176.600 -0.305 0.000 1.050 353 K CA 1.276 57.270 56.287 -0.488 0.000 0.935 353 K CB -0.613 31.577 32.500 -0.516 0.000 0.715 353 K HN 0.233 nan 8.250 nan 0.000 0.439 354 G N 0.519 109.307 108.800 -0.020 0.000 2.446 354 G HA2 -0.292 3.668 3.960 0.001 0.000 0.217 354 G HA3 -0.292 3.668 3.960 0.001 0.000 0.217 354 G C 1.548 176.641 174.900 0.321 0.000 1.168 354 G CA 1.017 46.274 45.100 0.262 0.000 0.771 354 G HN 0.443 nan 8.290 nan 0.000 0.551 355 A N 0.444 123.461 122.820 0.329 0.000 1.968 355 A HA 0.125 4.446 4.320 0.001 0.000 0.217 355 A C 2.676 180.511 177.584 0.419 0.000 1.169 355 A CA 2.022 54.314 52.037 0.424 0.000 0.638 355 A CB -0.376 18.994 19.000 0.618 0.000 0.812 355 A HN 0.304 nan 8.150 nan 0.000 0.446 356 S N 0.280 116.159 115.700 0.298 0.000 2.383 356 S HA -0.145 4.326 4.470 0.001 0.000 0.227 356 S C 1.782 176.377 174.600 -0.008 0.000 1.026 356 S CA 1.518 59.854 58.200 0.228 0.000 0.981 356 S CB -0.526 62.694 63.200 0.034 0.000 0.818 356 S HN 0.793 nan 8.310 nan 0.000 0.472 357 I N 0.259 120.735 120.570 -0.156 0.000 2.546 357 I HA 0.038 4.209 4.170 0.001 0.000 0.255 357 I C 1.740 177.731 176.117 -0.210 0.000 1.163 357 I CA 0.992 62.139 61.300 -0.254 0.000 1.457 357 I CB -0.882 36.943 38.000 -0.291 0.000 1.092 357 I HN 0.139 nan 8.210 nan 0.000 0.434 358 L N 0.262 121.409 121.223 -0.127 0.000 2.046 358 L HA -0.130 4.211 4.340 0.001 0.000 0.208 358 L C 2.902 179.427 176.870 -0.574 0.000 1.077 358 L CA 1.507 56.166 54.840 -0.301 0.000 0.747 358 L CB -0.516 41.311 42.059 -0.386 0.000 0.896 358 L HN 0.241 nan 8.230 nan 0.000 0.432 359 R N -0.071 120.224 120.500 -0.342 0.000 2.096 359 R HA -0.217 4.123 4.340 0.001 0.000 0.235 359 R C 2.386 178.503 176.300 -0.306 0.000 1.127 359 R CA 1.664 57.595 56.100 -0.282 0.000 0.968 359 R CB -0.173 30.024 30.300 -0.172 0.000 0.861 359 R HN 0.293 nan 8.270 nan 0.000 0.440 360 M N -0.276 119.176 119.600 -0.247 0.000 2.132 360 M HA -0.145 4.336 4.480 0.001 0.000 0.263 360 M C 1.715 177.896 176.300 -0.199 0.000 1.065 360 M CA 1.512 56.683 55.300 -0.215 0.000 1.122 360 M CB 0.044 32.480 32.600 -0.274 0.000 1.365 360 M HN 0.165 nan 8.290 nan 0.000 0.411 361 I N 0.797 121.216 120.570 -0.252 0.000 2.546 361 I HA -0.206 3.965 4.170 0.001 0.000 0.255 361 I C 2.200 178.230 176.117 -0.146 0.000 1.163 361 I CA 1.391 62.623 61.300 -0.114 0.000 1.457 361 I CB -0.942 37.012 38.000 -0.077 0.000 1.092 361 I HN 0.527 nan 8.210 nan 0.000 0.434 362 E N 0.563 120.424 120.200 -0.565 0.000 2.047 362 E HA -0.300 4.051 4.350 0.001 0.000 0.191 362 E C 1.718 178.171 176.600 -0.246 0.000 0.987 362 E CA 1.842 57.716 56.400 -0.876 0.000 0.799 362 E CB -0.012 28.930 29.700 -1.264 0.000 0.752 362 E HN 0.447 nan 8.360 nan 0.000 0.449 363 D N -1.084 119.248 120.400 -0.114 0.000 2.178 363 D HA -0.196 4.445 4.640 0.001 0.000 0.202 363 D C 1.867 178.246 176.300 0.132 0.000 0.974 363 D CA 0.925 54.984 54.000 0.099 0.000 0.841 363 D CB -0.144 40.702 40.800 0.075 0.000 0.953 363 D HN 0.239 nan 8.370 nan 0.000 0.478 364 Y N 0.909 121.197 120.300 -0.020 0.000 2.089 364 Y HA -0.097 4.454 4.550 0.001 0.000 0.282 364 Y C 2.111 178.044 175.900 0.056 0.000 1.139 364 Y CA 1.990 60.098 58.100 0.013 0.000 1.123 364 Y CB -0.845 37.608 38.460 -0.012 0.000 0.980 364 Y HN 0.016 nan 8.280 nan 0.000 0.493 365 A N -0.070 122.746 122.820 -0.006 0.000 1.969 365 A HA 0.320 4.640 4.320 0.001 0.000 0.218 365 A C 1.248 178.851 177.584 0.031 0.000 1.169 365 A CA 1.253 53.261 52.037 -0.048 0.000 0.635 365 A CB -1.277 17.827 19.000 0.174 0.000 0.810 365 A HN 1.087 nan 8.150 nan 0.000 0.445 366 G N -3.359 105.509 108.800 0.114 0.000 3.014 366 G HA2 -0.014 3.946 3.960 0.001 0.000 0.683 366 G HA3 -0.014 3.946 3.960 0.001 0.000 0.683 366 G C -0.076 175.007 174.900 0.304 0.000 1.271 366 G CA -0.117 45.090 45.100 0.178 0.000 0.843 366 G HN 0.127 nan 8.290 nan 0.000 0.612 367 Y N 0.744 121.103 120.300 0.098 0.000 2.053 367 Y HA -0.150 4.400 4.550 0.001 0.000 0.277 367 Y C 2.859 178.889 175.900 0.216 0.000 1.159 367 Y CA 2.327 60.528 58.100 0.168 0.000 1.125 367 Y CB -0.063 38.472 38.460 0.126 0.000 0.969 367 Y HN 0.661 nan 8.280 nan 0.000 0.492 368 E N 0.055 120.437 120.200 0.304 0.000 2.077 368 E HA -0.162 4.188 4.350 0.001 0.000 0.193 368 E C 2.039 178.731 176.600 0.153 0.000 0.989 368 E CA 1.151 57.660 56.400 0.182 0.000 0.800 368 E CB -0.166 29.604 29.700 0.116 0.000 0.746 368 E HN 0.544 nan 8.360 nan 0.000 0.452 369 E N 0.146 120.448 120.200 0.171 0.000 2.077 369 E HA -0.164 4.186 4.350 0.001 0.000 0.193 369 E C 2.004 178.717 176.600 0.189 0.000 0.989 369 E CA 0.491 56.979 56.400 0.147 0.000 0.800 369 E CB -0.559 29.222 29.700 0.134 0.000 0.746 369 E HN 0.235 nan 8.360 nan 0.000 0.452 370 F N 2.263 122.274 119.950 0.103 0.000 2.075 370 F HA -0.182 4.346 4.527 0.001 0.000 0.297 370 F C 2.660 178.546 175.800 0.144 0.000 1.113 370 F CA 1.858 59.932 58.000 0.122 0.000 1.218 370 F CB -0.163 38.895 39.000 0.096 0.000 0.984 370 F HN -0.117 nan 8.300 nan 0.000 0.472 371 R N 0.628 121.250 120.500 0.202 0.000 2.083 371 R HA -0.198 4.143 4.340 0.001 0.000 0.237 371 R C 2.196 178.435 176.300 -0.101 0.000 1.137 371 R CA 2.027 58.091 56.100 -0.060 0.000 0.951 371 R CB -0.320 29.849 30.300 -0.217 0.000 0.851 371 R HN 0.265 nan 8.270 nan 0.000 0.434 372 K N -0.783 119.600 120.400 -0.027 0.000 2.148 372 K HA -0.035 4.285 4.320 0.001 0.000 0.204 372 K C 1.980 178.583 176.600 0.006 0.000 1.050 372 K CA 1.148 57.428 56.287 -0.011 0.000 0.942 372 K CB -0.107 32.403 32.500 0.015 0.000 0.724 372 K HN 0.406 nan 8.250 nan 0.000 0.446 373 G N 1.259 110.057 108.800 -0.003 0.000 2.421 373 G HA2 -0.159 3.802 3.960 0.001 0.000 0.217 373 G HA3 -0.159 3.802 3.960 0.001 0.000 0.217 373 G C 1.395 176.283 174.900 -0.019 0.000 1.143 373 G CA 0.250 45.350 45.100 0.001 0.000 0.784 373 G HN 0.039 nan 8.290 nan 0.000 0.541 374 I N 1.296 121.816 120.570 -0.082 0.000 2.252 374 I HA -0.102 4.069 4.170 0.001 0.000 0.245 374 I C 2.879 179.059 176.117 0.105 0.000 1.102 374 I CA 1.303 62.592 61.300 -0.019 0.000 1.385 374 I CB -1.058 37.019 38.000 0.129 0.000 1.064 374 I HN 0.225 nan 8.210 nan 0.000 0.414 375 S N 0.615 116.366 115.700 0.085 0.000 2.356 375 S HA -0.249 4.222 4.470 0.001 0.000 0.223 375 S C 2.155 176.797 174.600 0.071 0.000 1.032 375 S CA 1.681 59.932 58.200 0.086 0.000 1.005 375 S CB -0.159 63.070 63.200 0.048 0.000 0.867 375 S HN 0.363 nan 8.310 nan 0.000 0.449 376 K N -0.777 119.661 120.400 0.062 0.000 2.103 376 K HA -0.194 4.126 4.320 0.001 0.000 0.207 376 K C 2.058 178.695 176.600 0.061 0.000 1.048 376 K CA 1.735 58.049 56.287 0.045 0.000 0.930 376 K CB -0.431 32.098 32.500 0.047 0.000 0.716 376 K HN 0.602 nan 8.250 nan 0.000 0.444 377 Y N 1.249 121.533 120.300 -0.027 0.000 2.181 377 Y HA -0.180 4.371 4.550 0.001 0.000 0.288 377 Y C 1.702 177.598 175.900 -0.006 0.000 1.146 377 Y CA 1.531 59.633 58.100 0.003 0.000 1.164 377 Y CB -0.107 38.313 38.460 -0.066 0.000 0.982 377 Y HN -0.006 nan 8.280 nan 0.000 0.515 378 L N 0.015 121.276 121.223 0.063 0.000 2.109 378 L HA -0.186 4.155 4.340 0.001 0.000 0.207 378 L C 2.021 178.813 176.870 -0.130 0.000 1.086 378 L CA 1.669 56.454 54.840 -0.091 0.000 0.760 378 L CB -0.627 41.416 42.059 -0.027 0.000 0.910 378 L HN 0.305 nan 8.230 nan 0.000 0.437 379 N N -0.196 118.460 118.700 -0.074 0.000 2.106 379 N HA -0.178 4.562 4.740 0.001 0.000 0.188 379 N C 1.279 176.695 175.510 -0.156 0.000 1.029 379 N CA 1.221 54.225 53.050 -0.076 0.000 0.848 379 N CB 0.044 38.514 38.487 -0.029 0.000 1.007 379 N HN 0.231 nan 8.380 nan 0.000 0.423 380 D N -0.255 119.991 120.400 -0.257 0.000 2.218 380 D HA -0.104 4.536 4.640 0.001 0.000 0.204 380 D C 0.772 176.658 176.300 -0.690 0.000 0.976 380 D CA 1.169 54.888 54.000 -0.467 0.000 0.853 380 D CB -0.057 40.378 40.800 -0.608 0.000 0.939 380 D HN 0.507 nan 8.370 nan 0.000 0.481 381 H N -0.187 118.716 119.070 -0.279 0.000 2.785 381 H HA 0.109 4.665 4.556 0.001 0.000 0.268 381 H C 0.068 175.229 175.328 -0.279 0.000 1.153 381 H CA -0.231 55.628 56.048 -0.315 0.000 1.111 381 H CB 0.361 29.810 29.762 -0.522 0.000 1.633 381 H HN 0.214 nan 8.280 nan 0.000 0.576 382 K N 0.835 121.132 120.400 -0.172 0.000 2.530 382 K HA -0.075 4.245 4.320 0.001 0.000 0.280 382 K C -0.410 176.119 176.600 -0.120 0.000 1.004 382 K CA 0.181 56.306 56.287 -0.271 0.000 1.071 382 K CB 0.034 32.384 32.500 -0.250 0.000 0.876 382 K HN 0.054 nan 8.250 nan 0.000 0.487 383 F N -0.613 119.313 119.950 -0.041 0.000 2.914 383 F HA -0.273 4.254 4.527 0.001 0.000 0.304 383 F C 0.817 176.590 175.800 -0.044 0.000 0.712 383 F CA 0.852 58.851 58.000 -0.002 0.000 1.211 383 F CB -1.673 37.354 39.000 0.045 0.000 1.515 383 F HN 0.924 nan 8.300 nan 0.000 0.350 384 G N -0.734 108.060 108.800 -0.010 0.000 3.243 384 G HA2 0.708 4.668 3.960 0.001 0.000 0.248 384 G HA3 0.708 4.668 3.960 0.001 0.000 0.248 384 G C -1.186 173.632 174.900 -0.137 0.000 1.267 384 G CA -0.728 44.351 45.100 -0.036 0.000 0.906 384 G HN 0.062 nan 8.290 nan 0.000 0.592 385 N N -0.995 117.619 118.700 -0.143 0.000 2.292 385 N HA 0.775 5.516 4.740 0.001 0.000 0.303 385 N C -0.542 174.759 175.510 -0.348 0.000 1.140 385 N CA -0.134 52.779 53.050 -0.228 0.000 0.788 385 N CB 2.403 40.795 38.487 -0.158 0.000 1.361 385 N HN 0.869 nan 8.380 nan 0.000 0.489 386 A N 0.015 122.568 122.820 -0.445 0.000 2.610 386 A HA 0.644 4.964 4.320 0.001 0.000 0.291 386 A C -1.472 175.918 177.584 -0.325 0.000 1.086 386 A CA -0.801 50.896 52.037 -0.566 0.000 0.677 386 A CB 1.172 19.493 19.000 -1.133 0.000 1.278 386 A HN 0.724 nan 8.150 nan 0.000 0.414 387 E N -0.094 119.964 120.200 -0.237 0.000 2.316 387 E HA 0.602 4.953 4.350 0.001 0.000 0.258 387 E C 0.935 177.431 176.600 -0.173 0.000 0.952 387 E CA -0.520 55.796 56.400 -0.140 0.000 0.818 387 E CB 1.175 30.846 29.700 -0.048 0.000 1.260 387 E HN 0.790 nan 8.360 nan 0.000 0.416 388 G N 1.083 109.789 108.800 -0.158 0.000 2.529 388 G HA2 -0.404 3.556 3.960 0.001 0.000 0.219 388 G HA3 -0.404 3.556 3.960 0.001 0.000 0.219 388 G C 1.536 176.037 174.900 -0.665 0.000 1.177 388 G CA 1.771 46.645 45.100 -0.376 0.000 0.773 388 G HN 0.604 nan 8.290 nan 0.000 0.573 389 S N 1.036 116.658 115.700 -0.130 0.000 2.392 389 S HA -0.197 4.273 4.470 0.001 0.000 0.232 389 S C 1.785 176.359 174.600 -0.044 0.000 1.041 389 S CA 1.832 60.066 58.200 0.056 0.000 1.026 389 S CB -0.454 62.849 63.200 0.172 0.000 0.845 389 S HN 0.439 nan 8.310 nan 0.000 0.465 390 D N 1.392 121.740 120.400 -0.086 0.000 2.144 390 D HA -0.040 4.600 4.640 0.001 0.000 0.199 390 D C 1.901 178.219 176.300 0.029 0.000 0.984 390 D CA 0.969 54.976 54.000 0.011 0.000 0.834 390 D CB -0.391 40.380 40.800 -0.048 0.000 0.955 390 D HN 0.368 nan 8.370 nan 0.000 0.465 391 L N -0.052 121.012 121.223 -0.266 0.000 2.056 391 L HA -0.084 4.256 4.340 0.001 0.000 0.207 391 L C 2.038 178.758 176.870 -0.250 0.000 1.078 391 L CA 1.517 56.036 54.840 -0.535 0.000 0.749 391 L CB -0.827 40.490 42.059 -1.235 0.000 0.901 391 L HN 0.119 nan 8.230 nan 0.000 0.433 392 W N -0.806 120.536 121.300 0.070 0.000 2.379 392 W HA -0.158 4.502 4.660 0.001 0.000 0.307 392 W C 2.375 178.963 176.519 0.115 0.000 1.200 392 W CA 0.820 58.231 57.345 0.110 0.000 1.297 392 W CB -0.983 28.564 29.460 0.145 0.000 1.140 392 W HN 0.002 nan 8.180 nan 0.000 0.507 393 T N 0.635 115.359 114.554 0.285 0.000 2.720 393 T HA -0.221 4.130 4.350 0.001 0.000 0.268 393 T C 2.004 176.804 174.700 0.166 0.000 1.037 393 T CA 1.832 64.056 62.100 0.207 0.000 1.144 393 T CB -0.651 68.313 68.868 0.161 0.000 0.864 393 T HN 0.232 nan 8.240 nan 0.000 0.444 394 A N 1.120 124.029 122.820 0.148 0.000 1.902 394 A HA -0.047 4.273 4.320 0.001 0.000 0.217 394 A C 2.103 179.757 177.584 0.117 0.000 1.181 394 A CA 1.311 53.423 52.037 0.125 0.000 0.623 394 A CB -0.612 18.473 19.000 0.141 0.000 0.818 394 A HN 0.405 nan 8.150 nan 0.000 0.443 395 I N 0.027 120.682 120.570 0.141 0.000 2.353 395 I HA -0.157 4.013 4.170 0.001 0.000 0.248 395 I C 2.291 178.512 176.117 0.174 0.000 1.119 395 I CA 1.545 62.940 61.300 0.159 0.000 1.417 395 I CB -0.812 37.327 38.000 0.232 0.000 1.078 395 I HN 0.594 nan 8.210 nan 0.000 0.421 396 E N 0.783 121.102 120.200 0.198 0.000 2.047 396 E HA -0.247 4.104 4.350 0.001 0.000 0.191 396 E C 1.657 178.331 176.600 0.123 0.000 0.987 396 E CA 1.468 57.971 56.400 0.173 0.000 0.799 396 E CB -0.012 29.804 29.700 0.194 0.000 0.752 396 E HN 0.366 nan 8.360 nan 0.000 0.449 397 D N 0.045 120.514 120.400 0.115 0.000 2.158 397 D HA -0.151 4.489 4.640 0.001 0.000 0.197 397 D C 1.990 178.332 176.300 0.071 0.000 0.995 397 D CA 1.195 55.247 54.000 0.087 0.000 0.846 397 D CB 0.036 40.884 40.800 0.081 0.000 0.941 397 D HN 0.158 nan 8.370 nan 0.000 0.456 398 V N 0.628 120.587 119.914 0.076 0.000 2.599 398 V HA -0.110 4.011 4.120 0.001 0.000 0.245 398 V C 2.456 178.585 176.094 0.060 0.000 1.046 398 V CA 1.553 63.891 62.300 0.063 0.000 1.065 398 V CB -0.243 31.618 31.823 0.064 0.000 0.703 398 V HN 0.229 nan 8.190 nan 0.000 0.464 399 S N 0.266 116.008 115.700 0.070 0.000 2.470 399 S HA 0.176 4.647 4.470 0.001 0.000 0.225 399 S C 1.789 176.402 174.600 0.021 0.000 1.006 399 S CA 0.928 59.156 58.200 0.047 0.000 0.934 399 S CB 0.302 63.533 63.200 0.052 0.000 0.778 399 S HN 1.201 nan 8.310 nan 0.000 0.517 400 G N 1.102 109.926 108.800 0.039 0.000 2.143 400 G HA2 -0.199 3.762 3.960 0.001 0.000 0.249 400 G HA3 -0.199 3.762 3.960 0.001 0.000 0.249 400 G C -0.098 174.819 174.900 0.028 0.000 0.981 400 G CA 0.346 45.466 45.100 0.033 0.000 0.665 400 G HN 0.546 nan 8.290 nan 0.000 0.528 401 K N 0.169 120.586 120.400 0.028 0.000 2.208 401 K HA 0.480 4.801 4.320 0.001 0.000 0.247 401 K C -2.459 174.233 176.600 0.153 0.000 0.953 401 K CA -2.070 54.240 56.287 0.039 0.000 0.837 401 K CB 2.450 34.855 32.500 -0.160 0.000 1.131 401 K HN -0.013 nan 8.250 nan 0.000 0.431 402 P HA 0.030 nan 4.420 nan 0.000 0.232 402 P C 0.891 178.346 177.300 0.257 0.000 1.738 402 P CA -0.004 63.221 63.100 0.209 0.000 0.948 402 P CB -0.237 31.571 31.700 0.179 0.000 1.943 403 V N 0.904 120.989 119.914 0.285 0.000 2.469 403 V HA -0.252 3.868 4.120 0.001 0.000 0.251 403 V C 2.720 178.930 176.094 0.194 0.000 1.064 403 V CA 1.992 64.463 62.300 0.286 0.000 1.066 403 V CB -1.052 30.965 31.823 0.323 0.000 0.667 403 V HN 0.338 nan 8.190 nan 0.000 0.461 404 K N 0.148 120.693 120.400 0.240 0.000 2.062 404 K HA -0.169 4.151 4.320 0.001 0.000 0.205 404 K C 2.450 179.147 176.600 0.162 0.000 1.051 404 K CA 1.281 57.716 56.287 0.247 0.000 0.941 404 K CB -0.139 32.535 32.500 0.290 0.000 0.719 404 K HN 0.287 nan 8.250 nan 0.000 0.440 405 R N 0.430 121.026 120.500 0.159 0.000 2.073 405 R HA -0.120 4.220 4.340 0.001 0.000 0.234 405 R C 2.120 178.514 176.300 0.156 0.000 1.134 405 R CA 1.626 57.813 56.100 0.145 0.000 0.952 405 R CB -0.222 30.153 30.300 0.124 0.000 0.850 405 R HN 0.072 nan 8.270 nan 0.000 0.433 406 V N 1.092 121.090 119.914 0.140 0.000 2.223 406 V HA -0.321 3.800 4.120 0.001 0.000 0.244 406 V C 2.565 178.803 176.094 0.240 0.000 1.045 406 V CA 1.771 64.180 62.300 0.181 0.000 1.000 406 V CB -0.447 31.398 31.823 0.038 0.000 0.635 406 V HN 0.349 nan 8.190 nan 0.000 0.445 407 M N -0.338 119.240 119.600 -0.036 0.000 2.082 407 M HA -0.211 4.270 4.480 0.001 0.000 0.258 407 M C 2.197 178.452 176.300 -0.075 0.000 1.069 407 M CA 1.751 56.891 55.300 -0.268 0.000 1.102 407 M CB -1.333 30.608 32.600 -1.098 0.000 1.336 407 M HN 0.470 nan 8.290 nan 0.000 0.404 408 E N -1.316 118.883 120.200 -0.002 0.000 2.110 408 E HA -0.243 4.107 4.350 0.001 0.000 0.193 408 E C 1.941 178.610 176.600 0.113 0.000 0.988 408 E CA 1.272 57.739 56.400 0.111 0.000 0.804 408 E CB -0.308 29.490 29.700 0.162 0.000 0.745 408 E HN 0.508 nan 8.360 nan 0.000 0.458 409 Y N -0.302 120.033 120.300 0.059 0.000 2.145 409 Y HA -0.239 4.311 4.550 0.001 0.000 0.286 409 Y C 1.624 177.521 175.900 -0.006 0.000 1.145 409 Y CA 1.599 59.685 58.100 -0.024 0.000 1.148 409 Y CB -0.269 38.144 38.460 -0.078 0.000 0.981 409 Y HN 0.065 nan 8.280 nan 0.000 0.507 410 W N 0.026 121.443 121.300 0.196 0.000 2.468 410 W HA -0.100 4.560 4.660 0.001 0.000 0.262 410 W C 1.883 178.397 176.519 -0.009 0.000 1.241 410 W CA 1.130 58.593 57.345 0.195 0.000 1.232 410 W CB -0.199 29.348 29.460 0.146 0.000 1.124 410 W HN 0.087 nan 8.180 nan 0.000 0.597 411 I N -0.570 120.057 120.570 0.096 0.000 2.867 411 I HA -0.101 4.070 4.170 0.001 0.000 0.265 411 I C 1.879 177.930 176.117 -0.111 0.000 1.162 411 I CA 0.933 62.183 61.300 -0.084 0.000 1.471 411 I CB -0.151 37.827 38.000 -0.037 0.000 1.123 411 I HN -0.177 nan 8.210 nan 0.000 0.440 412 K N 0.339 120.670 120.400 -0.115 0.000 2.323 412 K HA 0.125 4.446 4.320 0.001 0.000 0.197 412 K C 0.276 176.741 176.600 -0.225 0.000 1.043 412 K CA 0.304 56.501 56.287 -0.150 0.000 0.997 412 K CB 0.134 32.543 32.500 -0.151 0.000 0.807 412 K HN 0.246 nan 8.250 nan 0.000 0.497 413 N N 2.489 120.993 118.700 -0.328 0.000 2.456 413 N HA 0.210 4.951 4.740 0.001 0.000 0.288 413 N C -2.607 172.861 175.510 -0.070 0.000 1.059 413 N CA -1.336 51.502 53.050 -0.353 0.000 0.946 413 N CB 1.471 39.461 38.487 -0.828 0.000 1.150 413 N HN -0.029 nan 8.380 nan 0.000 0.479 414 P HA 0.201 nan 4.420 nan 0.000 0.276 414 P C 0.534 177.998 177.300 0.273 0.000 1.244 414 P CA 0.299 63.457 63.100 0.096 0.000 0.801 414 P CB 0.805 32.532 31.700 0.044 0.000 1.006 415 G N 0.848 109.819 108.800 0.286 0.000 2.698 415 G HA2 -0.092 3.868 3.960 0.001 0.000 0.233 415 G HA3 -0.092 3.868 3.960 0.001 0.000 0.233 415 G C -1.234 173.933 174.900 0.445 0.000 1.352 415 G CA 0.191 45.492 45.100 0.334 0.000 0.879 415 G HN 0.854 nan 8.290 nan 0.000 0.567 416 Y N -3.473 116.774 120.300 -0.088 0.000 2.689 416 Y HA 0.854 5.405 4.550 0.001 0.000 0.333 416 Y C -2.852 172.469 175.900 -0.965 0.000 1.208 416 Y CA -1.900 55.760 58.100 -0.733 0.000 1.055 416 Y CB 1.165 39.540 38.460 -0.143 0.000 1.304 416 Y HN 0.706 nan 8.280 nan 0.000 0.455 417 P HA 0.434 nan 4.420 nan 0.000 0.285 417 P C -1.493 175.751 177.300 -0.094 0.000 1.280 417 P CA -0.636 62.166 63.100 -0.498 0.000 0.862 417 P CB 3.121 34.536 31.700 -0.475 0.000 1.153 418 V N 2.360 122.227 119.914 -0.078 0.000 2.513 418 V HA 0.418 4.538 4.120 0.001 0.000 0.299 418 V C -0.607 175.397 176.094 -0.150 0.000 1.035 418 V CA -0.993 61.268 62.300 -0.065 0.000 0.889 418 V CB 0.999 32.771 31.823 -0.086 0.000 0.988 418 V HN 0.256 nan 8.190 nan 0.000 0.440 419 I N 7.303 127.781 120.570 -0.152 0.000 2.304 419 I HA 0.417 4.587 4.170 0.001 0.000 0.291 419 I C 0.364 176.297 176.117 -0.306 0.000 1.018 419 I CA 0.192 61.347 61.300 -0.241 0.000 1.260 419 I CB 1.199 39.061 38.000 -0.230 0.000 1.390 419 I HN 0.536 nan 8.210 nan 0.000 0.475 420 K N 6.973 127.090 120.400 -0.473 0.000 2.183 420 K HA 0.592 4.912 4.320 0.001 0.000 0.274 420 K C -0.841 175.587 176.600 -0.287 0.000 1.009 420 K CA -0.619 55.374 56.287 -0.490 0.000 0.888 420 K CB 1.458 33.465 32.500 -0.821 0.000 1.078 420 K HN 0.441 nan 8.250 nan 0.000 0.459 421 L N 2.507 123.651 121.223 -0.131 0.000 2.343 421 L HA 0.438 4.778 4.340 0.001 0.000 0.275 421 L C 0.133 177.055 176.870 0.086 0.000 1.056 421 L CA -0.822 54.018 54.840 -0.001 0.000 0.804 421 L CB 0.881 42.950 42.059 0.017 0.000 1.203 421 L HN 0.361 nan 8.230 nan 0.000 0.440 422 K N 2.507 122.976 120.400 0.115 0.000 2.507 422 K HA 0.388 4.709 4.320 0.001 0.000 0.252 422 K C -1.215 175.436 176.600 0.084 0.000 0.943 422 K CA -0.850 55.505 56.287 0.113 0.000 0.808 422 K CB 1.978 34.557 32.500 0.130 0.000 1.142 422 K HN 0.365 nan 8.250 nan 0.000 0.426 423 R N 2.301 122.847 120.500 0.076 0.000 2.294 423 R HA 0.337 4.677 4.340 0.001 0.000 0.319 423 R C -0.753 175.577 176.300 0.050 0.000 0.984 423 R CA -0.343 55.797 56.100 0.066 0.000 0.861 423 R CB 0.258 30.602 30.300 0.073 0.000 1.104 423 R HN 0.668 nan 8.270 nan 0.000 0.451 424 N N 2.594 121.319 118.700 0.042 0.000 2.697 424 N HA 0.405 5.146 4.740 0.001 0.000 0.253 424 N C -0.080 175.447 175.510 0.029 0.000 1.604 424 N CA -0.122 52.947 53.050 0.032 0.000 0.772 424 N CB 1.381 39.883 38.487 0.026 0.000 1.267 424 N HN 0.774 nan 8.380 nan 0.000 0.510 425 G N 1.913 110.731 108.800 0.030 0.000 2.601 425 G HA2 -0.300 3.660 3.960 0.001 0.000 0.224 425 G HA3 -0.300 3.660 3.960 0.001 0.000 0.224 425 G C 0.148 175.066 174.900 0.031 0.000 1.171 425 G CA -0.156 44.960 45.100 0.027 0.000 1.009 425 G HN 0.652 nan 8.290 nan 0.000 0.589 426 R N 0.823 121.339 120.500 0.028 0.000 2.359 426 R HA 0.390 4.731 4.340 0.001 0.000 0.231 426 R C 0.815 177.135 176.300 0.033 0.000 0.913 426 R CA 0.645 56.763 56.100 0.030 0.000 1.075 426 R CB 0.139 30.454 30.300 0.025 0.000 1.087 426 R HN 0.411 nan 8.270 nan 0.000 0.515 427 K N 1.833 122.253 120.400 0.033 0.000 2.262 427 K HA 0.257 4.578 4.320 0.001 0.000 0.282 427 K C -0.985 175.641 176.600 0.044 0.000 1.066 427 K CA -0.452 55.855 56.287 0.034 0.000 0.901 427 K CB 0.774 33.291 32.500 0.029 0.000 1.089 427 K HN 0.136 nan 8.250 nan 0.000 0.476 428 I N 4.704 125.302 120.570 0.047 0.000 2.328 428 I HA 0.119 4.290 4.170 0.001 0.000 0.287 428 I C 0.233 176.383 176.117 0.055 0.000 1.012 428 I CA -0.612 60.723 61.300 0.058 0.000 1.195 428 I CB 1.685 39.724 38.000 0.065 0.000 1.350 428 I HN 0.658 nan 8.210 nan 0.000 0.464 429 T N 5.152 119.745 114.554 0.065 0.000 2.895 429 T HA 0.822 5.172 4.350 0.001 0.000 0.283 429 T C -0.419 174.343 174.700 0.103 0.000 1.014 429 T CA -0.843 61.300 62.100 0.072 0.000 1.037 429 T CB 1.721 70.629 68.868 0.065 0.000 1.006 429 T HN 0.579 nan 8.240 nan 0.000 0.468 430 M N 1.849 121.513 119.600 0.106 0.000 2.501 430 M HA 0.746 5.226 4.480 0.001 0.000 0.293 430 M C -1.845 174.565 176.300 0.184 0.000 1.192 430 M CA -1.294 54.072 55.300 0.109 0.000 0.886 430 M CB 2.165 34.760 32.600 -0.008 0.000 1.710 430 M HN 0.837 nan 8.290 nan 0.000 0.457 431 Y N -0.374 119.908 120.300 -0.029 0.000 2.638 431 Y HA 0.774 5.324 4.550 0.001 0.000 0.339 431 Y C -1.287 174.599 175.900 -0.023 0.000 1.084 431 Y CA -1.055 57.032 58.100 -0.021 0.000 1.068 431 Y CB 1.076 39.531 38.460 -0.009 0.000 1.294 431 Y HN 0.921 nan 8.280 nan 0.000 0.480 432 Q N 0.617 120.447 119.800 0.050 0.000 2.378 432 Q HA 0.884 5.224 4.340 0.001 0.000 0.276 432 Q C -1.281 174.756 176.000 0.062 0.000 1.083 432 Q CA -0.790 54.988 55.803 -0.042 0.000 0.856 432 Q CB 2.824 31.577 28.738 0.024 0.000 1.383 432 Q HN 0.987 nan 8.270 nan 0.000 0.458 433 T N -2.269 112.311 114.554 0.044 0.000 2.802 433 T HA 0.417 4.768 4.350 0.001 0.000 0.311 433 T C -1.142 173.629 174.700 0.118 0.000 1.405 433 T CA -1.106 61.065 62.100 0.118 0.000 1.016 433 T CB 1.450 70.385 68.868 0.112 0.000 1.352 433 T HN 0.811 nan 8.240 nan 0.000 0.498 434 R N 0.933 121.540 120.500 0.178 0.000 2.340 434 R HA 0.507 4.848 4.340 0.001 0.000 0.300 434 R C -0.905 175.387 176.300 -0.012 0.000 1.069 434 R CA -0.721 55.459 56.100 0.132 0.000 0.984 434 R CB 0.191 30.646 30.300 0.258 0.000 1.003 434 R HN 0.626 nan 8.270 nan 0.000 0.459 435 F N 6.188 125.940 119.950 -0.330 0.000 2.427 435 F HA 0.386 4.913 4.527 0.001 0.000 0.352 435 F C -1.153 174.468 175.800 -0.299 0.000 1.100 435 F CA -0.199 57.605 58.000 -0.327 0.000 1.191 435 F CB 0.495 39.217 39.000 -0.464 0.000 1.128 435 F HN 0.360 nan 8.300 nan 0.000 0.533 436 L N 7.201 127.809 121.223 -1.026 0.000 2.472 436 L HA 0.276 4.617 4.340 0.001 0.000 0.260 436 L C 0.507 176.899 176.870 -0.796 0.000 0.963 436 L CA -0.780 53.616 54.840 -0.739 0.000 0.829 436 L CB 2.369 44.228 42.059 -0.334 0.000 1.348 436 L HN 0.652 nan 8.230 nan 0.000 0.408 437 L N 0.927 121.835 121.223 -0.524 0.000 2.275 437 L HA -0.001 4.339 4.340 0.001 0.000 0.215 437 L C 0.762 177.509 176.870 -0.205 0.000 1.119 437 L CA 1.145 55.800 54.840 -0.309 0.000 0.790 437 L CB -0.118 41.843 42.059 -0.162 0.000 0.919 437 L HN 0.632 nan 8.230 nan 0.000 0.443 438 N N -0.086 118.498 118.700 -0.193 0.000 2.609 438 N HA 0.388 5.129 4.740 0.001 0.000 0.268 438 N C -0.393 175.038 175.510 -0.131 0.000 1.106 438 N CA 0.533 53.502 53.050 -0.135 0.000 0.823 438 N CB 1.216 39.645 38.487 -0.096 0.000 1.263 438 N HN 0.190 nan 8.380 nan 0.000 0.533 439 G N 1.923 110.645 108.800 -0.131 0.000 2.434 439 G HA2 -0.053 3.908 3.960 0.001 0.000 0.671 439 G HA3 -0.053 3.908 3.960 0.001 0.000 0.671 439 G C -1.512 173.328 174.900 -0.100 0.000 1.280 439 G CA -0.700 44.338 45.100 -0.104 0.000 0.975 439 G HN 0.646 nan 8.290 nan 0.000 0.510 440 E N -0.942 119.223 120.200 -0.058 0.000 2.407 440 E HA 0.600 4.950 4.350 0.001 0.000 0.279 440 E C -1.365 175.238 176.600 0.005 0.000 1.012 440 E CA -0.758 55.632 56.400 -0.016 0.000 0.800 440 E CB 1.668 31.375 29.700 0.012 0.000 1.276 440 E HN 0.523 nan 8.360 nan 0.000 0.452 441 E N 1.220 121.443 120.200 0.037 0.000 2.433 441 E HA 0.250 4.600 4.350 0.001 0.000 0.278 441 E C -1.023 175.626 176.600 0.081 0.000 0.976 441 E CA -0.865 55.562 56.400 0.044 0.000 0.793 441 E CB 1.371 31.093 29.700 0.038 0.000 1.311 441 E HN 0.437 nan 8.360 nan 0.000 0.460 442 E N 0.490 120.727 120.200 0.061 0.000 2.404 442 E HA 0.421 4.771 4.350 0.001 0.000 0.261 442 E C 0.028 176.688 176.600 0.099 0.000 1.074 442 E CA -0.030 56.415 56.400 0.075 0.000 0.917 442 E CB 0.940 30.660 29.700 0.034 0.000 0.965 442 E HN 0.557 nan 8.360 nan 0.000 0.433 443 G N 0.818 109.703 108.800 0.142 0.000 2.495 443 G HA2 0.502 4.463 3.960 0.001 0.000 0.318 443 G HA3 0.502 4.463 3.960 0.001 0.000 0.318 443 G C -0.155 174.786 174.900 0.068 0.000 1.257 443 G CA -0.612 44.621 45.100 0.222 0.000 0.962 443 G HN 0.325 nan 8.290 nan 0.000 0.483 444 R N 1.119 121.545 120.500 -0.123 0.000 2.734 444 R HA 0.116 4.456 4.340 0.001 0.000 0.395 444 R C -0.680 175.286 176.300 -0.557 0.000 1.096 444 R CA -0.544 55.414 56.100 -0.237 0.000 1.071 444 R CB 0.710 30.878 30.300 -0.222 0.000 1.348 444 R HN 0.501 nan 8.270 nan 0.000 0.600 445 W N 2.903 123.951 121.300 -0.421 0.000 2.272 445 W HA 0.228 4.889 4.660 0.001 0.000 0.318 445 W C -2.180 174.093 176.519 -0.411 0.000 1.255 445 W CA -1.977 55.001 57.345 -0.612 0.000 1.200 445 W CB 1.140 30.285 29.460 -0.525 0.000 1.170 445 W HN -0.096 nan 8.180 nan 0.000 0.549 446 P HA 0.085 nan 4.420 nan 0.000 0.258 446 P C -0.596 176.859 177.300 0.258 0.000 1.647 446 P CA -0.023 63.076 63.100 -0.002 0.000 1.099 446 P CB 1.288 32.957 31.700 -0.052 0.000 1.604 447 V N 5.617 125.653 119.914 0.203 0.000 2.364 447 V HA 0.400 4.520 4.120 0.001 0.000 0.272 447 V C -2.567 173.521 176.094 -0.010 0.000 1.036 447 V CA -2.919 59.523 62.300 0.237 0.000 0.880 447 V CB 1.132 33.035 31.823 0.133 0.000 0.991 447 V HN 0.218 nan 8.190 nan 0.000 0.460 448 P HA 0.239 nan 4.420 nan 0.000 0.270 448 P C -1.044 176.278 177.300 0.038 0.000 1.242 448 P CA 0.171 63.197 63.100 -0.123 0.000 0.768 448 P CB 0.840 32.347 31.700 -0.323 0.000 0.820 449 V N 4.619 124.570 119.914 0.063 0.000 2.444 449 V HA 0.402 4.522 4.120 0.001 0.000 0.294 449 V C -0.069 176.092 176.094 0.112 0.000 1.022 449 V CA -0.702 61.650 62.300 0.087 0.000 0.850 449 V CB 1.595 33.410 31.823 -0.014 0.000 0.992 449 V HN 0.560 nan 8.190 nan 0.000 0.426 450 N N 5.308 124.085 118.700 0.128 0.000 2.342 450 N HA 0.606 5.346 4.740 0.001 0.000 0.293 450 N C -1.195 174.356 175.510 0.068 0.000 1.026 450 N CA -0.591 52.512 53.050 0.088 0.000 0.857 450 N CB 2.441 40.974 38.487 0.076 0.000 1.256 450 N HN 0.535 nan 8.380 nan 0.000 0.484 451 I N 0.922 121.520 120.570 0.046 0.000 2.362 451 I HA 0.260 4.430 4.170 0.001 0.000 0.289 451 I C 0.385 176.501 176.117 -0.001 0.000 0.994 451 I CA -0.775 60.544 61.300 0.032 0.000 1.158 451 I CB 1.517 39.538 38.000 0.034 0.000 1.315 451 I HN 0.224 nan 8.210 nan 0.000 0.451 452 K N 6.759 127.147 120.400 -0.021 0.000 2.349 452 K HA 0.336 4.657 4.320 0.001 0.000 0.288 452 K C -0.551 175.996 176.600 -0.087 0.000 1.058 452 K CA -0.096 56.158 56.287 -0.056 0.000 0.953 452 K CB 0.691 33.146 32.500 -0.075 0.000 0.997 452 K HN 0.482 nan 8.250 nan 0.000 0.477 453 K N 1.993 122.346 120.400 -0.077 0.000 2.395 453 K HA 0.233 4.553 4.320 0.001 0.000 0.247 453 K C 0.507 177.059 176.600 -0.079 0.000 0.973 453 K CA -0.853 55.380 56.287 -0.090 0.000 0.828 453 K CB 1.829 34.299 32.500 -0.049 0.000 1.272 453 K HN 0.273 nan 8.250 nan 0.000 0.439 454 K N 0.516 120.872 120.400 -0.074 0.000 2.063 454 K HA -0.152 4.168 4.320 0.001 0.000 0.208 454 K C 0.510 177.099 176.600 -0.018 0.000 1.048 454 K CA 1.565 57.833 56.287 -0.031 0.000 0.928 454 K CB 0.012 32.517 32.500 0.009 0.000 0.713 454 K HN 0.451 nan 8.250 nan 0.000 0.442 455 D N -0.159 120.232 120.400 -0.016 0.000 2.349 455 D HA 0.095 4.736 4.640 0.001 0.000 0.224 455 D C 0.767 177.059 176.300 -0.015 0.000 1.029 455 D CA 0.603 54.597 54.000 -0.010 0.000 0.879 455 D CB 0.680 41.477 40.800 -0.005 0.000 0.906 455 D HN 0.384 nan 8.370 nan 0.000 0.528 456 G N -1.214 107.572 108.800 -0.022 0.000 2.369 456 G HA2 0.080 4.040 3.960 0.001 0.000 0.295 456 G HA3 0.080 4.040 3.960 0.001 0.000 0.295 456 G C -1.462 173.423 174.900 -0.026 0.000 1.298 456 G CA -0.832 44.254 45.100 -0.024 0.000 0.940 456 G HN -0.044 nan 8.290 nan 0.000 0.536 457 V N 0.717 120.617 119.914 -0.023 0.000 2.465 457 V HA 0.568 4.688 4.120 0.001 0.000 0.279 457 V C 0.486 176.578 176.094 -0.003 0.000 1.045 457 V CA -0.249 62.041 62.300 -0.017 0.000 0.938 457 V CB 1.419 33.229 31.823 -0.021 0.000 0.986 457 V HN 0.805 nan 8.190 nan 0.000 0.467 458 E N 4.794 124.998 120.200 0.006 0.000 2.156 458 E HA 0.508 4.859 4.350 0.001 0.000 0.279 458 E C -0.471 176.150 176.600 0.035 0.000 0.965 458 E CA -0.773 55.638 56.400 0.018 0.000 0.789 458 E CB 1.082 30.793 29.700 0.017 0.000 1.098 458 E HN 0.590 nan 8.360 nan 0.000 0.397 459 R N 4.356 124.882 120.500 0.042 0.000 2.437 459 R HA 0.478 4.819 4.340 0.001 0.000 0.310 459 R C -0.953 175.397 176.300 0.084 0.000 0.955 459 R CA -0.535 55.608 56.100 0.071 0.000 0.851 459 R CB 0.774 31.112 30.300 0.063 0.000 1.161 459 R HN 0.614 nan 8.270 nan 0.000 0.446 460 I N 0.509 121.143 120.570 0.106 0.000 3.095 460 I HA 0.487 4.657 4.170 0.001 0.000 0.310 460 I C -1.816 174.378 176.117 0.129 0.000 1.196 460 I CA -1.182 60.179 61.300 0.102 0.000 0.985 460 I CB 1.817 39.854 38.000 0.061 0.000 1.250 460 I HN 0.411 nan 8.210 nan 0.000 0.446 461 L N 4.296 125.592 121.223 0.122 0.000 2.301 461 L HA 0.536 4.876 4.340 0.001 0.000 0.278 461 L C -1.053 175.842 176.870 0.041 0.000 1.022 461 L CA -0.385 54.511 54.840 0.094 0.000 0.854 461 L CB 0.809 42.951 42.059 0.138 0.000 1.226 461 L HN 0.723 nan 8.230 nan 0.000 0.429 462 L N 5.307 126.535 121.223 0.008 0.000 2.361 462 L HA 0.235 4.576 4.340 0.001 0.000 0.278 462 L C 0.444 177.311 176.870 -0.004 0.000 1.113 462 L CA 0.383 55.219 54.840 -0.007 0.000 0.849 462 L CB 0.617 42.646 42.059 -0.051 0.000 1.155 462 L HN 0.786 nan 8.230 nan 0.000 0.452 463 E N 2.351 122.551 120.200 -0.001 0.000 2.872 463 E HA 0.142 4.492 4.350 0.001 0.000 0.221 463 E C -0.509 176.090 176.600 -0.002 0.000 1.119 463 E CA -0.508 55.881 56.400 -0.018 0.000 1.048 463 E CB 0.202 29.886 29.700 -0.027 0.000 2.574 463 E HN 0.644 nan 8.360 nan 0.000 0.568 464 D N 1.456 121.858 120.400 0.003 0.000 2.423 464 D HA 0.048 4.689 4.640 0.001 0.000 0.255 464 D C -0.204 176.116 176.300 0.033 0.000 1.174 464 D CA -0.235 53.774 54.000 0.016 0.000 1.008 464 D CB 0.710 41.513 40.800 0.005 0.000 1.101 464 D HN 0.040 nan 8.370 nan 0.000 0.516 465 E N -0.021 120.207 120.200 0.046 0.000 3.056 465 E HA 0.039 4.389 4.350 0.001 0.000 0.264 465 E C -1.338 175.287 176.600 0.042 0.000 0.899 465 E CA 0.003 56.439 56.400 0.060 0.000 0.966 465 E CB 0.240 29.954 29.700 0.022 0.000 0.913 465 E HN 0.378 nan 8.360 nan 0.000 0.522 466 A N 3.736 126.586 122.820 0.049 0.000 2.469 466 A HA 0.658 4.979 4.320 0.001 0.000 0.299 466 A C -1.068 176.538 177.584 0.038 0.000 1.098 466 A CA -0.627 51.431 52.037 0.035 0.000 0.737 466 A CB 2.336 21.353 19.000 0.027 0.000 1.312 466 A HN 0.485 nan 8.150 nan 0.000 0.414 467 S N -0.246 115.473 115.700 0.032 0.000 2.536 467 S HA 0.760 5.230 4.470 0.001 0.000 0.287 467 S C -0.644 173.974 174.600 0.030 0.000 1.101 467 S CA -0.360 57.859 58.200 0.033 0.000 0.950 467 S CB 1.247 64.465 63.200 0.029 0.000 1.056 467 S HN 1.031 nan 8.310 nan 0.000 0.481 468 I N -0.886 119.703 120.570 0.032 0.000 3.074 468 I HA 0.700 4.870 4.170 0.001 0.000 0.310 468 I C -0.588 175.548 176.117 0.031 0.000 1.153 468 I CA -1.052 60.267 61.300 0.030 0.000 0.993 468 I CB 1.813 39.832 38.000 0.031 0.000 1.237 468 I HN 0.523 nan 8.210 nan 0.000 0.443 469 E N 1.850 122.066 120.200 0.027 0.000 2.331 469 E HA 0.509 4.860 4.350 0.001 0.000 0.272 469 E C 0.548 177.165 176.600 0.028 0.000 1.036 469 E CA -0.105 56.310 56.400 0.026 0.000 0.864 469 E CB 1.801 31.513 29.700 0.020 0.000 1.035 469 E HN 0.780 nan 8.360 nan 0.000 0.408 470 A N 3.952 126.791 122.820 0.032 0.000 2.072 470 A HA -0.002 4.319 4.320 0.001 0.000 0.216 470 A C 0.138 177.738 177.584 0.027 0.000 1.156 470 A CA 0.295 52.354 52.037 0.036 0.000 0.701 470 A CB -0.179 18.848 19.000 0.045 0.000 0.816 470 A HN 0.730 nan 8.150 nan 0.000 0.458 471 D N -0.224 120.190 120.400 0.023 0.000 2.487 471 D HA 0.376 5.016 4.640 0.001 0.000 0.243 471 D C 1.330 177.636 176.300 0.010 0.000 1.154 471 D CA 1.694 55.706 54.000 0.021 0.000 0.876 471 D CB 0.242 41.053 40.800 0.018 0.000 1.161 471 D HN 0.425 nan 8.370 nan 0.000 0.478 472 G N 2.017 110.825 108.800 0.014 0.000 2.184 472 G HA2 -0.328 3.633 3.960 0.001 0.000 0.264 472 G HA3 -0.328 3.633 3.960 0.001 0.000 0.264 472 G C 0.421 175.265 174.900 -0.094 0.000 0.975 472 G CA 0.068 45.159 45.100 -0.014 0.000 0.642 472 G HN 0.576 nan 8.290 nan 0.000 0.536 473 L N 0.625 121.805 121.223 -0.071 0.000 2.559 473 L HA 0.420 4.761 4.340 0.001 0.000 0.274 473 L C 1.568 178.281 176.870 -0.262 0.000 1.205 473 L CA 0.126 54.905 54.840 -0.102 0.000 0.907 473 L CB 0.323 42.370 42.059 -0.019 0.000 1.153 473 L HN 0.228 nan 8.230 nan 0.000 0.490 474 I N 3.594 123.980 120.570 -0.307 0.000 3.445 474 I HA 0.198 4.369 4.170 0.001 0.000 0.288 474 I C 0.240 176.225 176.117 -0.220 0.000 1.198 474 I CA 0.034 61.055 61.300 -0.465 0.000 1.417 474 I CB 0.265 37.999 38.000 -0.443 0.000 1.205 474 I HN 0.589 nan 8.210 nan 0.000 0.448 475 K N 0.691 121.027 120.400 -0.105 0.000 2.774 475 K HA 0.377 4.697 4.320 0.001 0.000 0.283 475 K C -1.883 174.766 176.600 0.081 0.000 1.050 475 K CA -0.568 55.716 56.287 -0.004 0.000 0.872 475 K CB 1.433 33.901 32.500 -0.054 0.000 1.434 475 K HN -0.069 nan 8.250 nan 0.000 0.372 476 I N 2.920 123.622 120.570 0.220 0.000 2.428 476 I HA 0.274 4.445 4.170 0.001 0.000 0.296 476 I C 0.216 176.412 176.117 0.132 0.000 0.985 476 I CA -0.441 60.960 61.300 0.168 0.000 1.260 476 I CB 1.395 39.485 38.000 0.149 0.000 1.389 476 I HN 0.891 nan 8.210 nan 0.000 0.484 477 N N 4.428 123.195 118.700 0.112 0.000 2.643 477 N HA -0.150 4.590 4.740 0.001 0.000 0.267 477 N C -0.290 175.198 175.510 -0.037 0.000 1.158 477 N CA -0.027 53.044 53.050 0.035 0.000 0.684 477 N CB -0.016 38.399 38.487 -0.121 0.000 0.879 477 N HN 0.842 nan 8.380 nan 0.000 0.553 478 A N 2.745 125.552 122.820 -0.022 0.000 2.561 478 A HA 0.085 4.406 4.320 0.001 0.000 0.251 478 A C 1.069 178.601 177.584 -0.087 0.000 1.062 478 A CA 1.129 53.134 52.037 -0.053 0.000 0.761 478 A CB 0.148 19.122 19.000 -0.042 0.000 0.986 478 A HN 0.709 nan 8.150 nan 0.000 0.510 479 D N 1.427 121.762 120.400 -0.108 0.000 2.983 479 D HA -0.193 4.448 4.640 0.001 0.000 0.225 479 D C 0.443 176.649 176.300 -0.156 0.000 1.174 479 D CA 1.459 55.380 54.000 -0.133 0.000 0.831 479 D CB -1.865 38.862 40.800 -0.122 0.000 1.104 479 D HN 1.041 nan 8.370 nan 0.000 0.421 480 S N -2.267 113.330 115.700 -0.173 0.000 3.521 480 S HA -0.283 4.188 4.470 0.001 0.000 0.362 480 S C 1.523 176.067 174.600 -0.093 0.000 1.044 480 S CA 0.932 59.022 58.200 -0.184 0.000 1.091 480 S CB -1.271 61.752 63.200 -0.295 0.000 0.908 480 S HN 0.806 nan 8.310 nan 0.000 0.473 481 A N 0.731 123.475 122.820 -0.127 0.000 1.930 481 A HA 0.429 4.749 4.320 0.001 0.000 0.215 481 A C 1.438 178.943 177.584 -0.131 0.000 1.176 481 A CA 0.947 52.917 52.037 -0.112 0.000 0.632 481 A CB -0.477 18.446 19.000 -0.128 0.000 0.819 481 A HN 1.045 nan 8.150 nan 0.000 0.445 482 G N -1.451 107.213 108.800 -0.225 0.000 2.406 482 G HA2 0.356 4.316 3.960 0.001 0.000 0.251 482 G HA3 0.356 4.316 3.960 0.001 0.000 0.251 482 G C -0.380 174.279 174.900 -0.401 0.000 1.271 482 G CA -0.420 44.516 45.100 -0.274 0.000 0.859 482 G HN 0.237 nan 8.290 nan 0.000 0.540 483 F N 4.938 124.680 119.950 -0.346 0.000 2.659 483 F HA 0.452 4.979 4.527 0.001 0.000 0.360 483 F C -0.312 175.436 175.800 -0.087 0.000 1.218 483 F CA -0.914 56.909 58.000 -0.295 0.000 1.317 483 F CB -0.877 37.962 39.000 -0.268 0.000 1.697 483 F HN 0.503 nan 8.300 nan 0.000 0.637 484 Y N 0.340 120.447 120.300 -0.321 0.000 2.689 484 Y HA 0.669 5.220 4.550 0.001 0.000 0.333 484 Y C -1.323 174.436 175.900 -0.235 0.000 1.208 484 Y CA -2.136 55.836 58.100 -0.212 0.000 1.055 484 Y CB 0.864 39.316 38.460 -0.013 0.000 1.304 484 Y HN 0.004 nan 8.280 nan 0.000 0.455 485 R N 0.752 121.275 120.500 0.037 0.000 2.720 485 R HA 0.810 5.150 4.340 0.001 0.000 0.272 485 R C -1.610 174.763 176.300 0.121 0.000 0.991 485 R CA -1.379 54.663 56.100 -0.097 0.000 1.010 485 R CB 2.490 32.559 30.300 -0.384 0.000 1.141 485 R HN 0.517 nan 8.270 nan 0.000 0.494 486 V N 3.115 123.095 119.914 0.111 0.000 2.349 486 V HA 0.195 4.315 4.120 0.001 0.000 0.284 486 V C -0.044 176.050 176.094 -0.000 0.000 1.014 486 V CA -0.633 61.644 62.300 -0.038 0.000 0.826 486 V CB 1.539 33.194 31.823 -0.279 0.000 1.009 486 V HN 0.571 nan 8.190 nan 0.000 0.431 487 L N 6.351 127.470 121.223 -0.175 0.000 2.401 487 L HA 0.400 4.741 4.340 0.001 0.000 0.283 487 L C -0.596 176.156 176.870 -0.197 0.000 1.151 487 L CA -0.186 54.423 54.840 -0.386 0.000 0.942 487 L CB -0.021 41.669 42.059 -0.615 0.000 1.283 487 L HN 0.570 nan 8.230 nan 0.000 0.442 488 Y N 2.905 123.242 120.300 0.062 0.000 2.411 488 Y HA 0.005 4.555 4.550 0.001 0.000 0.333 488 Y C 1.177 177.116 175.900 0.065 0.000 1.186 488 Y CA -0.381 57.797 58.100 0.130 0.000 1.381 488 Y CB 0.559 39.231 38.460 0.353 0.000 1.273 488 Y HN 0.583 nan 8.280 nan 0.000 0.546 489 D N 1.439 121.984 120.400 0.241 0.000 2.377 489 D HA -0.042 4.598 4.640 0.001 0.000 0.245 489 D C -0.072 176.345 176.300 0.194 0.000 1.196 489 D CA -0.369 53.721 54.000 0.151 0.000 0.962 489 D CB 1.143 42.018 40.800 0.124 0.000 1.127 489 D HN 0.516 nan 8.370 nan 0.000 0.471 490 D N 0.571 121.049 120.400 0.131 0.000 2.104 490 D HA -0.169 4.472 4.640 0.001 0.000 0.194 490 D C 2.006 178.406 176.300 0.165 0.000 0.994 490 D CA 1.958 56.042 54.000 0.141 0.000 0.830 490 D CB -0.551 40.300 40.800 0.085 0.000 0.959 490 D HN 0.603 nan 8.370 nan 0.000 0.452 491 A N 0.492 123.387 122.820 0.126 0.000 1.865 491 A HA -0.182 4.138 4.320 0.001 0.000 0.217 491 A C 2.413 180.066 177.584 0.115 0.000 1.191 491 A CA 2.415 54.514 52.037 0.103 0.000 0.623 491 A CB -0.999 18.050 19.000 0.081 0.000 0.826 491 A HN 0.245 nan 8.150 nan 0.000 0.444 492 T N -1.067 113.583 114.554 0.161 0.000 2.867 492 T HA -0.083 4.267 4.350 0.001 0.000 0.268 492 T C 1.568 176.319 174.700 0.085 0.000 1.057 492 T CA 1.347 63.547 62.100 0.167 0.000 1.136 492 T CB -0.350 68.691 68.868 0.289 0.000 0.874 492 T HN 0.425 nan 8.240 nan 0.000 0.466 493 F N 2.211 122.155 119.950 -0.009 0.000 2.134 493 F HA -0.110 4.417 4.527 0.001 0.000 0.299 493 F C 2.504 178.226 175.800 -0.130 0.000 1.097 493 F CA 0.971 58.866 58.000 -0.176 0.000 1.264 493 F CB -0.416 38.563 39.000 -0.035 0.000 1.001 493 F HN 0.037 nan 8.300 nan 0.000 0.479 494 S N 0.067 115.781 115.700 0.023 0.000 2.382 494 S HA -0.204 4.266 4.470 0.001 0.000 0.228 494 S C 1.567 176.096 174.600 -0.119 0.000 1.027 494 S CA 1.406 59.577 58.200 -0.049 0.000 0.991 494 S CB -0.462 62.754 63.200 0.027 0.000 0.823 494 S HN 0.425 nan 8.310 nan 0.000 0.469 495 D N 1.128 121.479 120.400 -0.080 0.000 2.117 495 D HA -0.063 4.577 4.640 0.001 0.000 0.197 495 D C 2.030 178.294 176.300 -0.060 0.000 0.987 495 D CA 0.769 54.750 54.000 -0.032 0.000 0.829 495 D CB -0.465 40.338 40.800 0.005 0.000 0.961 495 D HN 0.215 nan 8.370 nan 0.000 0.460 496 V N 1.054 120.810 119.914 -0.263 0.000 2.307 496 V HA -0.223 3.898 4.120 0.001 0.000 0.245 496 V C 2.440 178.345 176.094 -0.314 0.000 1.045 496 V CA 1.159 63.251 62.300 -0.348 0.000 1.024 496 V CB -0.344 31.072 31.823 -0.679 0.000 0.651 496 V HN 0.206 nan 8.190 nan 0.000 0.449 497 M N 0.591 119.921 119.600 -0.450 0.000 2.267 497 M HA -0.096 4.385 4.480 0.001 0.000 0.263 497 M C 2.290 178.502 176.300 -0.147 0.000 1.063 497 M CA 1.861 56.978 55.300 -0.306 0.000 1.090 497 M CB -1.830 30.568 32.600 -0.337 0.000 1.392 497 M HN 0.468 nan 8.290 nan 0.000 0.422 498 G N -1.061 107.660 108.800 -0.132 0.000 2.432 498 G HA2 -0.203 3.757 3.960 0.001 0.000 0.219 498 G HA3 -0.203 3.757 3.960 0.001 0.000 0.219 498 G C 0.683 175.446 174.900 -0.228 0.000 1.135 498 G CA 0.736 45.744 45.100 -0.153 0.000 0.767 498 G HN 0.553 nan 8.290 nan 0.000 0.550 499 H N -1.896 117.110 119.070 -0.107 0.000 2.503 499 H HA 0.273 4.830 4.556 0.001 0.000 0.296 499 H C 1.062 176.340 175.328 -0.083 0.000 1.097 499 H CA -0.881 55.116 56.048 -0.086 0.000 1.055 499 H CB 0.019 29.722 29.762 -0.097 0.000 1.580 499 H HN 0.298 nan 8.280 nan 0.000 0.546 500 Y N 1.554 121.777 120.300 -0.128 0.000 2.151 500 Y HA -0.288 4.262 4.550 0.001 0.000 0.284 500 Y C 2.101 177.935 175.900 -0.111 0.000 1.166 500 Y CA 1.681 59.680 58.100 -0.169 0.000 1.163 500 Y CB 0.091 38.403 38.460 -0.248 0.000 0.974 500 Y HN 0.133 nan 8.280 nan 0.000 0.511 501 R N -0.240 120.340 120.500 0.134 0.000 2.127 501 R HA -0.176 4.164 4.340 0.001 0.000 0.238 501 R C 1.332 177.645 176.300 0.023 0.000 1.134 501 R CA 1.575 57.720 56.100 0.074 0.000 0.975 501 R CB -0.278 30.036 30.300 0.022 0.000 0.865 501 R HN 0.403 nan 8.270 nan 0.000 0.447 502 D N 0.170 120.580 120.400 0.017 0.000 2.348 502 D HA 0.035 4.675 4.640 0.001 0.000 0.211 502 D C 0.351 176.618 176.300 -0.054 0.000 0.998 502 D CA 0.413 54.414 54.000 0.003 0.000 0.873 502 D CB 0.143 40.978 40.800 0.058 0.000 0.925 502 D HN 0.122 nan 8.370 nan 0.000 0.524 503 L N 1.600 122.751 121.223 -0.120 0.000 2.410 503 L HA 0.089 4.430 4.340 0.001 0.000 0.273 503 L C 1.111 177.888 176.870 -0.155 0.000 1.152 503 L CA -0.364 54.364 54.840 -0.187 0.000 0.855 503 L CB 0.739 42.586 42.059 -0.354 0.000 1.129 503 L HN -0.070 nan 8.230 nan 0.000 0.463 504 S N 3.713 119.339 115.700 -0.123 0.000 2.614 504 S HA 0.295 4.766 4.470 0.001 0.000 0.265 504 S C -1.542 172.994 174.600 -0.107 0.000 1.303 504 S CA -1.178 56.968 58.200 -0.089 0.000 1.000 504 S CB 1.022 64.181 63.200 -0.068 0.000 0.935 504 S HN 0.509 nan 8.310 nan 0.000 0.551 505 P HA -0.076 nan 4.420 nan 0.000 0.219 505 P C 1.460 178.682 177.300 -0.130 0.000 1.146 505 P CA 0.878 63.930 63.100 -0.080 0.000 0.808 505 P CB -0.025 31.654 31.700 -0.034 0.000 0.779 506 L N -0.360 120.788 121.223 -0.125 0.000 2.156 506 L HA -0.093 4.248 4.340 0.001 0.000 0.208 506 L C 2.236 178.936 176.870 -0.284 0.000 1.095 506 L CA 1.304 56.021 54.840 -0.204 0.000 0.770 506 L CB -0.701 41.283 42.059 -0.125 0.000 0.914 506 L HN -0.098 nan 8.230 nan 0.000 0.439 507 D N 0.040 120.318 120.400 -0.204 0.000 2.117 507 D HA -0.155 4.486 4.640 0.001 0.000 0.198 507 D C 2.313 178.498 176.300 -0.191 0.000 0.982 507 D CA 1.150 55.035 54.000 -0.191 0.000 0.828 507 D CB 0.022 40.727 40.800 -0.157 0.000 0.967 507 D HN 0.181 nan 8.370 nan 0.000 0.464 508 R N 0.294 120.690 120.500 -0.173 0.000 2.075 508 R HA 0.002 4.343 4.340 0.001 0.000 0.232 508 R C 2.285 178.455 176.300 -0.217 0.000 1.126 508 R CA 0.281 56.332 56.100 -0.082 0.000 0.963 508 R CB -0.265 30.021 30.300 -0.022 0.000 0.858 508 R HN 0.136 nan 8.270 nan 0.000 0.435 509 I N 0.509 120.900 120.570 -0.297 0.000 2.286 509 I HA -0.126 4.044 4.170 0.001 0.000 0.248 509 I C 1.851 177.652 176.117 -0.526 0.000 1.115 509 I CA 1.653 62.717 61.300 -0.393 0.000 1.392 509 I CB -1.070 36.673 38.000 -0.429 0.000 1.065 509 I HN 0.282 nan 8.210 nan 0.000 0.418 510 G N 0.568 108.991 108.800 -0.628 0.000 2.394 510 G HA2 -0.176 3.784 3.960 0.001 0.000 0.215 510 G HA3 -0.176 3.784 3.960 0.001 0.000 0.215 510 G C 1.760 176.499 174.900 -0.269 0.000 1.165 510 G CA 0.393 45.177 45.100 -0.526 0.000 0.784 510 G HN 0.407 nan 8.290 nan 0.000 0.535 511 L N 0.207 121.306 121.223 -0.206 0.000 2.083 511 L HA -0.065 4.275 4.340 0.001 0.000 0.209 511 L C 2.929 179.640 176.870 -0.264 0.000 1.083 511 L CA 0.391 55.178 54.840 -0.088 0.000 0.752 511 L CB -0.397 41.718 42.059 0.093 0.000 0.899 511 L HN 0.082 nan 8.230 nan 0.000 0.433 512 V N -0.460 119.165 119.914 -0.481 0.000 2.453 512 V HA -0.276 3.845 4.120 0.001 0.000 0.247 512 V C 2.262 178.207 176.094 -0.248 0.000 1.048 512 V CA 1.860 63.857 62.300 -0.505 0.000 1.049 512 V CB -0.390 31.098 31.823 -0.559 0.000 0.672 512 V HN 0.511 nan 8.190 nan 0.000 0.457 513 D N -0.277 120.000 120.400 -0.204 0.000 2.144 513 D HA -0.183 4.457 4.640 0.001 0.000 0.200 513 D C 1.700 177.887 176.300 -0.188 0.000 0.978 513 D CA 1.292 55.228 54.000 -0.107 0.000 0.833 513 D CB 0.102 40.928 40.800 0.045 0.000 0.961 513 D HN 0.394 nan 8.370 nan 0.000 0.470 514 D N 0.364 120.571 120.400 -0.322 0.000 2.084 514 D HA -0.092 4.549 4.640 0.001 0.000 0.196 514 D C 2.405 178.267 176.300 -0.730 0.000 0.985 514 D CA 0.400 53.977 54.000 -0.704 0.000 0.826 514 D CB -0.442 39.963 40.800 -0.658 0.000 0.978 514 D HN 0.254 nan 8.370 nan 0.000 0.456 515 L N -0.169 120.900 121.223 -0.258 0.000 1.997 515 L HA -0.241 4.099 4.340 0.001 0.000 0.216 515 L C 2.408 179.402 176.870 0.207 0.000 1.074 515 L CA 1.216 56.100 54.840 0.074 0.000 0.763 515 L CB -0.561 41.571 42.059 0.121 0.000 0.890 515 L HN 0.032 nan 8.230 nan 0.000 0.434 516 F N 0.610 120.557 119.950 -0.004 0.000 2.102 516 F HA -0.232 4.295 4.527 0.001 0.000 0.298 516 F C 2.454 178.186 175.800 -0.114 0.000 1.105 516 F CA 1.249 59.186 58.000 -0.104 0.000 1.239 516 F CB -0.392 38.537 39.000 -0.118 0.000 0.991 516 F HN 0.011 nan 8.300 nan 0.000 0.474 517 A N -0.067 122.694 122.820 -0.097 0.000 1.908 517 A HA -0.193 4.128 4.320 0.001 0.000 0.218 517 A C 2.323 180.000 177.584 0.155 0.000 1.181 517 A CA 1.784 53.784 52.037 -0.063 0.000 0.627 517 A CB -1.583 17.297 19.000 -0.199 0.000 0.818 517 A HN 0.508 nan 8.150 nan 0.000 0.445 518 F N -0.718 119.274 119.950 0.070 0.000 2.186 518 F HA -0.118 4.410 4.527 0.001 0.000 0.299 518 F C 2.306 178.144 175.800 0.063 0.000 1.090 518 F CA 0.472 58.558 58.000 0.143 0.000 1.307 518 F CB -0.105 38.950 39.000 0.091 0.000 1.019 518 F HN 0.184 nan 8.300 nan 0.000 0.489 519 L N 0.757 122.047 121.223 0.110 0.000 2.012 519 L HA -0.228 4.112 4.340 0.001 0.000 0.210 519 L C 2.096 178.869 176.870 -0.161 0.000 1.073 519 L CA 1.982 56.757 54.840 -0.109 0.000 0.748 519 L CB -0.693 41.045 42.059 -0.535 0.000 0.891 519 L HN 0.237 nan 8.230 nan 0.000 0.431 520 L N -0.363 120.706 121.223 -0.256 0.000 2.131 520 L HA -0.143 4.198 4.340 0.001 0.000 0.206 520 L C 2.813 179.645 176.870 -0.063 0.000 1.087 520 L CA 1.205 55.917 54.840 -0.213 0.000 0.767 520 L CB -0.452 41.412 42.059 -0.325 0.000 0.917 520 L HN 0.377 nan 8.230 nan 0.000 0.441 521 S N -0.530 115.209 115.700 0.065 0.000 2.406 521 S HA -0.006 4.465 4.470 0.001 0.000 0.228 521 S C 1.661 176.276 174.600 0.025 0.000 1.020 521 S CA 0.831 59.078 58.200 0.077 0.000 0.965 521 S CB 0.067 63.459 63.200 0.320 0.000 0.798 521 S HN 0.541 nan 8.310 nan 0.000 0.488 522 G N 0.231 109.068 108.800 0.061 0.000 2.179 522 G HA2 -0.218 3.742 3.960 0.001 0.000 0.220 522 G HA3 -0.218 3.742 3.960 0.001 0.000 0.220 522 G C 0.577 175.457 174.900 -0.034 0.000 0.990 522 G CA 0.341 45.433 45.100 -0.013 0.000 0.646 522 G HN 0.567 nan 8.290 nan 0.000 0.517 523 H N 0.066 119.163 119.070 0.045 0.000 2.456 523 H HA 0.101 4.657 4.556 0.001 0.000 0.296 523 H C 1.603 176.880 175.328 -0.086 0.000 1.079 523 H CA 1.624 57.642 56.048 -0.050 0.000 1.322 523 H CB 0.252 29.929 29.762 -0.141 0.000 1.388 523 H HN 0.771 nan 8.280 nan 0.000 0.538 524 I N -0.661 119.971 120.570 0.103 0.000 2.828 524 I HA 0.298 4.468 4.170 0.001 0.000 0.302 524 I C -0.759 175.415 176.117 0.094 0.000 1.101 524 I CA -1.349 59.997 61.300 0.078 0.000 1.031 524 I CB 2.571 40.645 38.000 0.122 0.000 1.231 524 I HN -0.207 nan 8.210 nan 0.000 0.427 525 D N 3.569 124.018 120.400 0.081 0.000 2.387 525 D HA 0.446 5.087 4.640 0.001 0.000 0.251 525 D C -2.218 174.174 176.300 0.154 0.000 1.141 525 D CA -2.225 51.828 54.000 0.088 0.000 0.987 525 D CB 0.404 41.238 40.800 0.058 0.000 1.116 525 D HN 0.284 nan 8.370 nan 0.000 0.491 526 P HA -0.215 nan 4.420 nan 0.000 0.216 526 P C 1.249 178.741 177.300 0.319 0.000 1.157 526 P CA 1.806 65.083 63.100 0.296 0.000 0.880 526 P CB 0.122 31.962 31.700 0.232 0.000 0.791 527 E N -1.016 119.291 120.200 0.178 0.000 2.038 527 E HA -0.189 4.161 4.350 0.001 0.000 0.195 527 E C 1.682 178.359 176.600 0.129 0.000 1.000 527 E CA 1.994 58.473 56.400 0.132 0.000 0.803 527 E CB -0.566 29.177 29.700 0.071 0.000 0.750 527 E HN 0.112 nan 8.360 nan 0.000 0.448 528 T N -0.046 114.575 114.554 0.111 0.000 2.788 528 T HA -0.205 4.145 4.350 0.001 0.000 0.268 528 T C 1.443 176.187 174.700 0.074 0.000 1.044 528 T CA 1.428 63.567 62.100 0.064 0.000 1.139 528 T CB -0.526 68.367 68.868 0.042 0.000 0.867 528 T HN 0.382 nan 8.240 nan 0.000 0.454 529 Y N 2.042 122.385 120.300 0.072 0.000 2.181 529 Y HA -0.126 4.425 4.550 0.001 0.000 0.288 529 Y C 2.522 178.488 175.900 0.110 0.000 1.146 529 Y CA 1.233 59.382 58.100 0.081 0.000 1.164 529 Y CB -0.211 38.312 38.460 0.105 0.000 0.982 529 Y HN -0.021 nan 8.280 nan 0.000 0.515 530 R N -0.200 120.381 120.500 0.136 0.000 2.080 530 R HA -0.239 4.101 4.340 0.001 0.000 0.236 530 R C 2.279 178.533 176.300 -0.077 0.000 1.137 530 R CA 2.153 58.306 56.100 0.088 0.000 0.943 530 R CB -0.356 30.088 30.300 0.240 0.000 0.846 530 R HN 0.383 nan 8.270 nan 0.000 0.431 531 Q N -0.084 119.692 119.800 -0.040 0.000 2.061 531 Q HA -0.128 4.212 4.340 0.001 0.000 0.204 531 Q C 2.143 178.093 176.000 -0.084 0.000 0.984 531 Q CA 1.731 57.501 55.803 -0.056 0.000 0.846 531 Q CB -0.038 28.690 28.738 -0.017 0.000 0.902 531 Q HN 0.245 nan 8.270 nan 0.000 0.421 532 R N -0.434 120.000 120.500 -0.108 0.000 2.066 532 R HA -0.080 4.260 4.340 0.001 0.000 0.232 532 R C 2.198 178.538 176.300 0.067 0.000 1.131 532 R CA 1.235 57.318 56.100 -0.028 0.000 0.955 532 R CB -0.524 29.582 30.300 -0.323 0.000 0.851 532 R HN 0.215 nan 8.270 nan 0.000 0.432 533 I N 1.529 121.976 120.570 -0.205 0.000 2.567 533 I HA -0.219 3.952 4.170 0.001 0.000 0.257 533 I C 1.935 177.866 176.117 -0.309 0.000 1.184 533 I CA 1.318 62.506 61.300 -0.187 0.000 1.451 533 I CB -0.084 37.589 38.000 -0.545 0.000 1.089 533 I HN 0.026 nan 8.210 nan 0.000 0.441 534 R N -0.112 120.035 120.500 -0.589 0.000 2.189 534 R HA -0.116 4.224 4.340 0.001 0.000 0.223 534 R C 1.713 177.639 176.300 -0.624 0.000 1.092 534 R CA 1.360 56.781 56.100 -1.131 0.000 0.989 534 R CB -0.511 29.395 30.300 -0.656 0.000 0.876 534 R HN 0.437 nan 8.270 nan 0.000 0.457 535 N N -0.204 118.328 118.700 -0.279 0.000 2.381 535 N HA -0.105 4.635 4.740 0.001 0.000 0.182 535 N C 0.426 175.672 175.510 -0.441 0.000 1.025 535 N CA 0.969 53.797 53.050 -0.369 0.000 0.888 535 N CB 0.040 38.279 38.487 -0.414 0.000 0.965 535 N HN 0.149 nan 8.380 nan 0.000 0.438 536 F N -1.220 118.722 119.950 -0.014 0.000 2.727 536 F HA 0.295 4.822 4.527 0.001 0.000 0.302 536 F C 0.986 176.978 175.800 0.321 0.000 1.097 536 F CA -0.307 57.803 58.000 0.184 0.000 1.330 536 F CB -0.477 38.643 39.000 0.200 0.000 1.084 536 F HN 0.035 nan 8.300 nan 0.000 0.578 537 F N 0.576 120.661 119.950 0.225 0.000 2.408 537 F HA -0.170 4.357 4.527 0.001 0.000 0.300 537 F C 1.179 177.047 175.800 0.113 0.000 1.090 537 F CA 0.352 58.540 58.000 0.313 0.000 1.427 537 F CB 0.020 39.163 39.000 0.238 0.000 1.070 537 F HN 0.003 nan 8.300 nan 0.000 0.549 538 D N -0.204 120.287 120.400 0.153 0.000 2.368 538 D HA 0.025 4.666 4.640 0.001 0.000 0.218 538 D C -0.151 176.084 176.300 -0.108 0.000 1.112 538 D CA 0.134 54.107 54.000 -0.046 0.000 0.834 538 D CB -0.345 40.372 40.800 -0.138 0.000 0.953 538 D HN 0.208 nan 8.370 nan 0.000 0.505 539 D N 0.819 121.248 120.400 0.048 0.000 2.443 539 D HA 0.001 4.642 4.640 0.001 0.000 0.239 539 D C 1.076 177.287 176.300 -0.148 0.000 1.136 539 D CA 0.447 54.480 54.000 0.054 0.000 0.879 539 D CB 1.072 42.017 40.800 0.241 0.000 1.195 539 D HN -0.041 nan 8.370 nan 0.000 0.443 540 E N 1.132 121.202 120.200 -0.217 0.000 2.476 540 E HA 0.015 4.366 4.350 0.001 0.000 0.199 540 E C -0.354 176.240 176.600 -0.011 0.000 1.021 540 E CA -0.087 56.088 56.400 -0.375 0.000 0.907 540 E CB 0.397 29.803 29.700 -0.489 0.000 0.974 540 E HN 0.503 nan 8.360 nan 0.000 0.489 541 D N 1.061 121.475 120.400 0.024 0.000 2.383 541 D HA -0.067 4.574 4.640 0.001 0.000 0.252 541 D C 1.569 177.908 176.300 0.065 0.000 1.166 541 D CA -0.058 53.977 54.000 0.058 0.000 0.879 541 D CB 0.644 41.443 40.800 -0.001 0.000 1.164 541 D HN 0.137 nan 8.370 nan 0.000 0.462 542 H N 3.688 122.754 119.070 -0.006 0.000 2.456 542 H HA -0.125 4.432 4.556 0.001 0.000 0.296 542 H C 0.675 175.989 175.328 -0.023 0.000 1.079 542 H CA 1.105 57.145 56.048 -0.013 0.000 1.322 542 H CB 0.050 29.770 29.762 -0.070 0.000 1.388 542 H HN 0.396 nan 8.280 nan 0.000 0.538 543 N N 0.884 119.177 118.700 -0.680 0.000 2.171 543 N HA -0.074 4.667 4.740 0.001 0.000 0.184 543 N C 2.271 177.661 175.510 -0.200 0.000 1.021 543 N CA 1.233 53.997 53.050 -0.477 0.000 0.854 543 N CB -0.191 38.014 38.487 -0.471 0.000 0.994 543 N HN 0.213 nan 8.380 nan 0.000 0.426 544 V N 2.211 122.043 119.914 -0.135 0.000 2.343 544 V HA -0.168 3.952 4.120 0.001 0.000 0.247 544 V C 2.328 178.431 176.094 0.015 0.000 1.051 544 V CA 1.025 63.290 62.300 -0.059 0.000 1.036 544 V CB -0.308 31.527 31.823 0.019 0.000 0.654 544 V HN 0.206 nan 8.190 nan 0.000 0.451 545 I N 0.264 120.884 120.570 0.083 0.000 2.179 545 I HA -0.194 3.976 4.170 0.001 0.000 0.242 545 I C 2.530 178.750 176.117 0.172 0.000 1.088 545 I CA 1.958 63.398 61.300 0.233 0.000 1.357 545 I CB -1.673 36.446 38.000 0.198 0.000 1.051 545 I HN 0.327 nan 8.210 nan 0.000 0.409 546 T N 1.286 115.874 114.554 0.057 0.000 2.867 546 T HA -0.061 4.289 4.350 0.001 0.000 0.268 546 T C 2.003 176.673 174.700 -0.050 0.000 1.057 546 T CA 1.331 63.443 62.100 0.020 0.000 1.136 546 T CB -0.197 68.670 68.868 -0.001 0.000 0.874 546 T HN 0.443 nan 8.240 nan 0.000 0.466 547 A N 0.965 123.728 122.820 -0.095 0.000 1.930 547 A HA 0.070 4.390 4.320 0.001 0.000 0.217 547 A C 2.221 179.665 177.584 -0.234 0.000 1.175 547 A CA 0.919 52.858 52.037 -0.164 0.000 0.627 547 A CB -0.604 18.298 19.000 -0.163 0.000 0.815 547 A HN 0.518 nan 8.150 nan 0.000 0.443 548 I N -0.667 119.760 120.570 -0.240 0.000 2.286 548 I HA -0.171 4.000 4.170 0.001 0.000 0.245 548 I C 2.285 178.148 176.117 -0.423 0.000 1.104 548 I CA 0.771 61.811 61.300 -0.434 0.000 1.397 548 I CB -0.262 37.275 38.000 -0.771 0.000 1.072 548 I HN 0.123 nan 8.210 nan 0.000 0.417 549 V N 1.183 120.974 119.914 -0.206 0.000 2.392 549 V HA -0.256 3.865 4.120 0.001 0.000 0.249 549 V C 2.549 178.590 176.094 -0.087 0.000 1.059 549 V CA 2.284 64.558 62.300 -0.042 0.000 1.051 549 V CB -1.320 30.559 31.823 0.093 0.000 0.658 549 V HN 0.595 nan 8.190 nan 0.000 0.455 550 G N -1.550 107.168 108.800 -0.136 0.000 2.408 550 G HA2 -0.230 3.730 3.960 0.001 0.000 0.217 550 G HA3 -0.230 3.730 3.960 0.001 0.000 0.217 550 G C 1.487 176.238 174.900 -0.249 0.000 1.150 550 G CA 0.604 45.609 45.100 -0.158 0.000 0.776 550 G HN 0.536 nan 8.290 nan 0.000 0.542 551 Q N -0.678 118.885 119.800 -0.394 0.000 2.046 551 Q HA -0.006 4.335 4.340 0.001 0.000 0.200 551 Q C 2.720 178.626 176.000 -0.157 0.000 0.975 551 Q CA 1.006 56.495 55.803 -0.524 0.000 0.836 551 Q CB -0.188 28.247 28.738 -0.505 0.000 0.896 551 Q HN 0.307 nan 8.270 nan 0.000 0.428 552 M N 0.515 120.040 119.600 -0.125 0.000 2.175 552 M HA -0.135 4.346 4.480 0.001 0.000 0.264 552 M C 1.720 178.034 176.300 0.023 0.000 1.063 552 M CA 1.533 56.816 55.300 -0.029 0.000 1.119 552 M CB -0.792 31.786 32.600 -0.036 0.000 1.377 552 M HN 0.217 nan 8.290 nan 0.000 0.415 553 E N -1.013 119.197 120.200 0.018 0.000 2.110 553 E HA -0.230 4.120 4.350 0.001 0.000 0.193 553 E C 1.908 178.554 176.600 0.077 0.000 0.988 553 E CA 1.189 57.619 56.400 0.051 0.000 0.804 553 E CB -0.285 29.448 29.700 0.054 0.000 0.745 553 E HN 0.446 nan 8.360 nan 0.000 0.458 554 Y N 1.031 121.317 120.300 -0.023 0.000 2.184 554 Y HA -0.178 4.373 4.550 0.001 0.000 0.290 554 Y C 1.976 177.907 175.900 0.051 0.000 1.129 554 Y CA 0.948 59.066 58.100 0.030 0.000 1.144 554 Y CB -0.091 38.422 38.460 0.088 0.000 0.995 554 Y HN -0.020 nan 8.280 nan 0.000 0.513 555 L N 0.510 121.780 121.223 0.079 0.000 2.042 555 L HA -0.220 4.121 4.340 0.001 0.000 0.210 555 L C 2.420 179.291 176.870 0.002 0.000 1.076 555 L CA 1.617 56.471 54.840 0.024 0.000 0.749 555 L CB -1.391 40.668 42.059 -0.000 0.000 0.893 555 L HN 0.241 nan 8.230 nan 0.000 0.432 556 R N -0.996 119.506 120.500 0.003 0.000 2.139 556 R HA -0.174 4.166 4.340 0.001 0.000 0.243 556 R C 2.077 178.292 176.300 -0.140 0.000 1.145 556 R CA 1.354 57.427 56.100 -0.044 0.000 0.976 556 R CB -0.191 30.102 30.300 -0.012 0.000 0.866 556 R HN 0.368 nan 8.270 nan 0.000 0.449 557 M N -0.407 119.096 119.600 -0.161 0.000 2.619 557 M HA -0.061 4.419 4.480 0.001 0.000 0.251 557 M C 0.867 177.049 176.300 -0.196 0.000 1.106 557 M CA 0.701 55.890 55.300 -0.185 0.000 1.086 557 M CB 0.343 32.813 32.600 -0.217 0.000 1.465 557 M HN 0.065 nan 8.290 nan 0.000 0.506 558 L N -1.576 119.536 121.223 -0.185 0.000 2.537 558 L HA 0.253 4.593 4.340 0.001 0.000 0.224 558 L C 0.972 177.796 176.870 -0.076 0.000 1.065 558 L CA 0.802 55.563 54.840 -0.132 0.000 0.860 558 L CB 0.559 42.546 42.059 -0.121 0.000 1.086 558 L HN 0.120 nan 8.230 nan 0.000 0.482 559 T N -3.390 111.120 114.554 -0.073 0.000 2.718 559 T HA 0.264 4.615 4.350 0.001 0.000 0.306 559 T C -0.215 174.414 174.700 -0.119 0.000 1.485 559 T CA -0.460 61.612 62.100 -0.046 0.000 0.997 559 T CB 0.625 69.521 68.868 0.047 0.000 1.504 559 T HN 0.107 nan 8.240 nan 0.000 0.497 560 H N 0.822 119.908 119.070 0.028 0.000 2.652 560 H HA 0.355 4.911 4.556 0.001 0.000 0.274 560 H C 1.989 177.313 175.328 -0.006 0.000 1.021 560 H CA 0.734 56.803 56.048 0.033 0.000 1.187 560 H CB 0.448 30.219 29.762 0.014 0.000 1.505 560 H HN 0.645 nan 8.280 nan 0.000 0.530 561 A N 0.484 123.296 122.820 -0.013 0.000 2.186 561 A HA -0.125 4.195 4.320 0.001 0.000 0.219 561 A C 1.211 178.526 177.584 -0.449 0.000 1.159 561 A CA 1.115 52.989 52.037 -0.272 0.000 0.680 561 A CB -0.785 17.934 19.000 -0.469 0.000 0.787 561 A HN 0.221 nan 8.150 nan 0.000 0.467 562 F N -1.226 118.798 119.950 0.123 0.000 2.682 562 F HA 0.143 4.670 4.527 0.001 0.000 0.308 562 F C 1.265 177.149 175.800 0.139 0.000 1.093 562 F CA -0.310 57.781 58.000 0.151 0.000 1.244 562 F CB 0.301 39.408 39.000 0.178 0.000 1.052 562 F HN 0.041 nan 8.300 nan 0.000 0.573 563 D N 0.999 121.544 120.400 0.241 0.000 2.133 563 D HA -0.204 4.437 4.640 0.001 0.000 0.192 563 D C 1.717 178.127 176.300 0.184 0.000 1.001 563 D CA 1.714 55.836 54.000 0.204 0.000 0.844 563 D CB -0.182 40.737 40.800 0.198 0.000 0.944 563 D HN 0.175 nan 8.370 nan 0.000 0.447 564 D N 0.345 120.844 120.400 0.164 0.000 2.117 564 D HA -0.106 4.534 4.640 0.001 0.000 0.198 564 D C 1.567 177.976 176.300 0.183 0.000 0.982 564 D CA 0.774 54.864 54.000 0.150 0.000 0.828 564 D CB -0.220 40.651 40.800 0.118 0.000 0.967 564 D HN 0.249 nan 8.370 nan 0.000 0.464 565 D N 0.606 121.152 120.400 0.244 0.000 2.117 565 D HA -0.093 4.547 4.640 0.001 0.000 0.197 565 D C 2.005 178.419 176.300 0.190 0.000 0.987 565 D CA 1.031 55.236 54.000 0.341 0.000 0.829 565 D CB -0.092 40.995 40.800 0.479 0.000 0.961 565 D HN 0.111 nan 8.370 nan 0.000 0.460 566 A N 1.245 124.163 122.820 0.163 0.000 1.933 566 A HA -0.193 4.127 4.320 0.001 0.000 0.218 566 A C 2.207 179.810 177.584 0.032 0.000 1.175 566 A CA 1.147 53.229 52.037 0.075 0.000 0.628 566 A CB -0.400 18.677 19.000 0.129 0.000 0.814 566 A HN 0.111 nan 8.150 nan 0.000 0.444 567 R N -0.757 119.790 120.500 0.078 0.000 2.066 567 R HA -0.045 4.296 4.340 0.001 0.000 0.232 567 R C 2.537 178.798 176.300 -0.066 0.000 1.131 567 R CA 1.171 57.308 56.100 0.062 0.000 0.955 567 R CB -0.434 29.967 30.300 0.168 0.000 0.851 567 R HN 0.507 nan 8.270 nan 0.000 0.432 568 A N 0.794 123.622 122.820 0.013 0.000 1.902 568 A HA -0.207 4.114 4.320 0.001 0.000 0.217 568 A C 1.939 179.439 177.584 -0.140 0.000 1.181 568 A CA 1.197 53.246 52.037 0.020 0.000 0.623 568 A CB -0.640 18.484 19.000 0.206 0.000 0.818 568 A HN 0.392 nan 8.150 nan 0.000 0.443 569 F N 0.623 120.227 119.950 -0.576 0.000 2.075 569 F HA -0.235 4.292 4.527 0.001 0.000 0.297 569 F C 2.446 177.933 175.800 -0.522 0.000 1.113 569 F CA 1.591 59.060 58.000 -0.885 0.000 1.218 569 F CB -0.877 37.349 39.000 -1.291 0.000 0.984 569 F HN 0.304 nan 8.300 nan 0.000 0.472 570 C N 0.971 119.862 119.300 -0.681 0.000 2.413 570 C HA -0.170 4.290 4.460 0.001 0.000 0.277 570 C C 2.873 177.267 174.990 -0.993 0.000 1.228 570 C CA 1.448 59.894 59.018 -0.954 0.000 1.731 570 C CB -1.377 25.686 27.740 -1.128 0.000 2.042 570 C HN 0.540 nan 8.230 nan 0.000 0.468 571 R N 0.701 120.674 120.500 -0.879 0.000 2.117 571 R HA -0.168 4.172 4.340 0.001 0.000 0.243 571 R C 2.399 178.514 176.300 -0.308 0.000 1.143 571 R CA 1.911 57.724 56.100 -0.478 0.000 0.968 571 R CB -0.446 29.755 30.300 -0.166 0.000 0.863 571 R HN 0.532 nan 8.270 nan 0.000 0.444 572 S N -0.180 115.332 115.700 -0.314 0.000 2.348 572 S HA -0.090 4.381 4.470 0.001 0.000 0.221 572 S C 1.839 176.300 174.600 -0.232 0.000 1.033 572 S CA 1.006 59.078 58.200 -0.213 0.000 1.010 572 S CB -0.047 63.059 63.200 -0.157 0.000 0.891 572 S HN 0.315 nan 8.310 nan 0.000 0.442 573 R N 0.332 120.580 120.500 -0.421 0.000 2.189 573 R HA 0.208 4.549 4.340 0.001 0.000 0.218 573 R C 1.991 178.189 176.300 -0.170 0.000 1.074 573 R CA 0.630 56.548 56.100 -0.304 0.000 0.991 573 R CB -1.198 28.765 30.300 -0.562 0.000 0.883 573 R HN 0.411 nan 8.270 nan 0.000 0.457 574 M N 0.857 120.298 119.600 -0.265 0.000 2.159 574 M HA -0.087 4.393 4.480 0.001 0.000 0.263 574 M C 2.051 178.312 176.300 -0.064 0.000 1.063 574 M CA 1.601 56.799 55.300 -0.170 0.000 1.110 574 M CB -0.319 32.138 32.600 -0.239 0.000 1.374 574 M HN 0.134 nan 8.290 nan 0.000 0.411 575 Q N -1.650 118.122 119.800 -0.047 0.000 2.230 575 Q HA -0.157 4.183 4.340 0.001 0.000 0.202 575 Q C 1.854 177.879 176.000 0.041 0.000 0.963 575 Q CA 1.143 56.948 55.803 0.003 0.000 0.866 575 Q CB -0.064 28.679 28.738 0.008 0.000 0.931 575 Q HN 0.538 nan 8.270 nan 0.000 0.452 576 F N 0.142 120.040 119.950 -0.087 0.000 2.220 576 F HA 0.035 4.562 4.527 0.001 0.000 0.290 576 F C 1.571 177.338 175.800 -0.055 0.000 1.080 576 F CA 0.690 58.651 58.000 -0.066 0.000 1.318 576 F CB -0.062 38.895 39.000 -0.072 0.000 1.063 576 F HN -0.033 nan 8.300 nan 0.000 0.498 577 L N 0.090 121.253 121.223 -0.099 0.000 2.141 577 L HA -0.073 4.267 4.340 0.001 0.000 0.209 577 L C 0.773 177.532 176.870 -0.186 0.000 1.094 577 L CA 0.621 55.350 54.840 -0.185 0.000 0.763 577 L CB -1.211 40.837 42.059 -0.019 0.000 0.908 577 L HN -0.034 nan 8.230 nan 0.000 0.437 578 T N 0.474 114.955 114.554 -0.121 0.000 2.867 578 T HA 0.280 4.631 4.350 0.001 0.000 0.297 578 T C 1.145 175.775 174.700 -0.117 0.000 0.989 578 T CA 0.882 62.932 62.100 -0.082 0.000 1.159 578 T CB 0.920 69.769 68.868 -0.032 0.000 0.928 578 T HN 0.595 nan 8.240 nan 0.000 0.538 579 G N 3.016 111.759 108.800 -0.096 0.000 2.268 579 G HA2 -0.229 3.732 3.960 0.001 0.000 0.240 579 G HA3 -0.229 3.732 3.960 0.001 0.000 0.240 579 G C 0.230 175.057 174.900 -0.122 0.000 1.010 579 G CA -0.432 44.611 45.100 -0.097 0.000 0.618 579 G HN 0.595 nan 8.290 nan 0.000 0.516 580 K N 0.453 120.748 120.400 -0.175 0.000 2.489 580 K HA 0.249 4.569 4.320 0.001 0.000 0.278 580 K C 1.078 177.608 176.600 -0.116 0.000 1.000 580 K CA 0.093 56.269 56.287 -0.185 0.000 1.012 580 K CB 1.184 33.523 32.500 -0.269 0.000 0.903 580 K HN 0.322 nan 8.250 nan 0.000 0.485 581 Q N 0.971 120.715 119.800 -0.094 0.000 2.376 581 Q HA -0.027 4.314 4.340 0.001 0.000 0.206 581 Q C -0.146 175.819 176.000 -0.057 0.000 0.921 581 Q CA 0.594 56.358 55.803 -0.064 0.000 0.911 581 Q CB 0.160 28.868 28.738 -0.049 0.000 1.032 581 Q HN 0.580 nan 8.270 nan 0.000 0.510 582 D N 0.783 121.143 120.400 -0.067 0.000 2.531 582 D HA -0.133 4.507 4.640 0.001 0.000 0.239 582 D C 0.711 176.965 176.300 -0.078 0.000 1.144 582 D CA 0.307 54.267 54.000 -0.066 0.000 0.869 582 D CB 0.789 41.540 40.800 -0.083 0.000 1.160 582 D HN 0.339 nan 8.370 nan 0.000 0.484 583 E N 3.813 123.980 120.200 -0.055 0.000 2.097 583 E HA -0.265 4.086 4.350 0.001 0.000 0.196 583 E C 1.037 177.575 176.600 -0.103 0.000 1.000 583 E CA 1.062 57.435 56.400 -0.045 0.000 0.804 583 E CB 0.153 29.866 29.700 0.022 0.000 0.740 583 E HN 0.496 nan 8.360 nan 0.000 0.454 584 N N 0.578 119.135 118.700 -0.238 0.000 2.188 584 N HA -0.121 4.619 4.740 0.001 0.000 0.184 584 N C 2.092 177.477 175.510 -0.208 0.000 1.018 584 N CA 0.808 53.620 53.050 -0.397 0.000 0.858 584 N CB -0.267 37.563 38.487 -1.094 0.000 0.989 584 N HN 0.269 nan 8.380 nan 0.000 0.426 585 L N 1.120 122.252 121.223 -0.152 0.000 2.056 585 L HA -0.102 4.239 4.340 0.001 0.000 0.207 585 L C 2.226 179.074 176.870 -0.037 0.000 1.078 585 L CA 1.072 55.884 54.840 -0.047 0.000 0.749 585 L CB -0.292 41.730 42.059 -0.061 0.000 0.901 585 L HN 0.110 nan 8.230 nan 0.000 0.433 586 K N 0.015 120.383 120.400 -0.055 0.000 2.057 586 K HA -0.160 4.160 4.320 0.001 0.000 0.207 586 K C 2.074 178.667 176.600 -0.012 0.000 1.049 586 K CA 1.111 57.376 56.287 -0.036 0.000 0.931 586 K CB -0.075 32.402 32.500 -0.039 0.000 0.714 586 K HN 0.164 nan 8.250 nan 0.000 0.440 587 I N 1.231 121.794 120.570 -0.012 0.000 2.179 587 I HA -0.235 3.936 4.170 0.001 0.000 0.242 587 I C 2.514 178.654 176.117 0.037 0.000 1.088 587 I CA 1.320 62.629 61.300 0.015 0.000 1.357 587 I CB -1.452 36.559 38.000 0.019 0.000 1.051 587 I HN 0.105 nan 8.210 nan 0.000 0.409 588 A N 0.882 123.729 122.820 0.046 0.000 1.902 588 A HA -0.220 4.101 4.320 0.001 0.000 0.217 588 A C 2.346 179.960 177.584 0.050 0.000 1.181 588 A CA 1.606 53.685 52.037 0.070 0.000 0.623 588 A CB -0.987 18.076 19.000 0.105 0.000 0.818 588 A HN 0.411 nan 8.150 nan 0.000 0.443 589 L N 0.215 121.456 121.223 0.030 0.000 2.081 589 L HA -0.090 4.250 4.340 0.001 0.000 0.212 589 L C 2.290 179.185 176.870 0.043 0.000 1.080 589 L CA 2.473 57.325 54.840 0.019 0.000 0.754 589 L CB -0.938 41.122 42.059 0.002 0.000 0.893 589 L HN 0.281 nan 8.230 nan 0.000 0.433 590 G N -0.940 107.888 108.800 0.047 0.000 2.402 590 G HA2 -0.208 3.753 3.960 0.001 0.000 0.216 590 G HA3 -0.208 3.753 3.960 0.001 0.000 0.216 590 G C 1.630 176.580 174.900 0.082 0.000 1.162 590 G CA 0.452 45.591 45.100 0.065 0.000 0.777 590 G HN 0.283 nan 8.290 nan 0.000 0.539 591 R N 0.151 120.696 120.500 0.075 0.000 2.092 591 R HA 0.033 4.374 4.340 0.001 0.000 0.231 591 R C 2.686 179.042 176.300 0.093 0.000 1.119 591 R CA 0.706 56.856 56.100 0.084 0.000 0.970 591 R CB -1.134 29.213 30.300 0.078 0.000 0.864 591 R HN 0.350 nan 8.270 nan 0.000 0.440 592 V N 0.635 120.591 119.914 0.069 0.000 2.358 592 V HA -0.198 3.922 4.120 0.001 0.000 0.246 592 V C 2.520 178.646 176.094 0.052 0.000 1.047 592 V CA 2.005 64.319 62.300 0.024 0.000 1.035 592 V CB -0.541 31.224 31.823 -0.096 0.000 0.658 592 V HN 0.333 nan 8.190 nan 0.000 0.452 593 S N -0.593 115.173 115.700 0.111 0.000 2.382 593 S HA -0.226 4.245 4.470 0.001 0.000 0.228 593 S C 2.217 177.005 174.600 0.313 0.000 1.027 593 S CA 1.655 60.008 58.200 0.256 0.000 0.991 593 S CB -0.307 63.055 63.200 0.270 0.000 0.823 593 S HN 0.531 nan 8.310 nan 0.000 0.469 594 R N 0.207 120.831 120.500 0.208 0.000 2.148 594 R HA 0.105 4.445 4.340 0.001 0.000 0.223 594 R C 2.358 178.771 176.300 0.188 0.000 1.088 594 R CA 0.898 57.111 56.100 0.188 0.000 0.985 594 R CB -0.274 30.110 30.300 0.141 0.000 0.880 594 R HN 0.454 nan 8.270 nan 0.000 0.451 595 L N -0.181 121.148 121.223 0.177 0.000 2.044 595 L HA -0.183 4.157 4.340 0.001 0.000 0.205 595 L C 2.078 179.090 176.870 0.236 0.000 1.075 595 L CA 1.261 56.201 54.840 0.167 0.000 0.747 595 L CB -0.488 41.654 42.059 0.139 0.000 0.903 595 L HN 0.234 nan 8.230 nan 0.000 0.435 596 Y N 0.498 120.837 120.300 0.066 0.000 2.114 596 Y HA -0.262 4.289 4.550 0.001 0.000 0.282 596 Y C 2.573 178.589 175.900 0.194 0.000 1.165 596 Y CA 1.669 59.787 58.100 0.029 0.000 1.148 596 Y CB -0.853 37.447 38.460 -0.268 0.000 0.972 596 Y HN -0.025 nan 8.280 nan 0.000 0.504 597 V N 0.299 120.458 119.914 0.409 0.000 2.380 597 V HA -0.377 3.744 4.120 0.001 0.000 0.251 597 V C 2.406 178.596 176.094 0.160 0.000 1.063 597 V CA 2.315 64.766 62.300 0.252 0.000 1.055 597 V CB -0.661 31.278 31.823 0.193 0.000 0.657 597 V HN 0.386 nan 8.190 nan 0.000 0.455 598 M N -0.311 119.388 119.600 0.166 0.000 2.562 598 M HA 0.005 4.485 4.480 0.001 0.000 0.257 598 M C 1.493 177.876 176.300 0.137 0.000 1.099 598 M CA 0.987 56.364 55.300 0.128 0.000 1.099 598 M CB 0.088 32.756 32.600 0.113 0.000 1.427 598 M HN 0.473 nan 8.290 nan 0.000 0.489 599 V N -4.613 115.405 119.914 0.174 0.000 3.432 599 V HA 0.329 4.449 4.120 0.001 0.000 0.298 599 V C -0.746 175.452 176.094 0.173 0.000 1.464 599 V CA -0.329 62.078 62.300 0.178 0.000 1.046 599 V CB 0.004 31.945 31.823 0.196 0.000 0.887 599 V HN 0.193 nan 8.190 nan 0.000 0.441 600 D N 0.049 120.530 120.400 0.137 0.000 2.375 600 D HA 0.276 4.917 4.640 0.001 0.000 0.241 600 D C 1.064 177.371 176.300 0.012 0.000 1.361 600 D CA -0.260 53.780 54.000 0.067 0.000 0.995 600 D CB 1.488 42.288 40.800 -0.001 0.000 1.312 600 D HN 0.025 nan 8.370 nan 0.000 0.576 601 E N 1.144 121.357 120.200 0.021 0.000 2.086 601 E HA -0.243 4.107 4.350 0.001 0.000 0.200 601 E C 1.486 178.073 176.600 -0.021 0.000 1.012 601 E CA 1.084 57.485 56.400 0.002 0.000 0.812 601 E CB -0.089 29.615 29.700 0.006 0.000 0.743 601 E HN 0.466 nan 8.360 nan 0.000 0.453 602 S N -0.061 115.628 115.700 -0.019 0.000 2.351 602 S HA -0.225 4.245 4.470 0.001 0.000 0.220 602 S C 2.012 176.581 174.600 -0.053 0.000 1.035 602 S CA 1.481 59.666 58.200 -0.026 0.000 1.031 602 S CB -0.452 62.745 63.200 -0.006 0.000 0.928 602 S HN 0.357 nan 8.310 nan 0.000 0.433 603 Y N 2.059 122.199 120.300 -0.266 0.000 2.181 603 Y HA -0.008 4.542 4.550 0.001 0.000 0.288 603 Y C 2.456 178.241 175.900 -0.190 0.000 1.146 603 Y CA 1.155 59.047 58.100 -0.346 0.000 1.164 603 Y CB -1.027 36.912 38.460 -0.867 0.000 0.982 603 Y HN 0.328 nan 8.280 nan 0.000 0.515 604 A N 0.312 123.061 122.820 -0.117 0.000 1.883 604 A HA -0.243 4.077 4.320 0.001 0.000 0.217 604 A C 2.084 179.594 177.584 -0.124 0.000 1.186 604 A CA 2.101 54.075 52.037 -0.104 0.000 0.624 604 A CB -0.749 18.237 19.000 -0.023 0.000 0.822 604 A HN 0.639 nan 8.150 nan 0.000 0.444 605 E N -0.693 119.450 120.200 -0.095 0.000 2.150 605 E HA -0.202 4.149 4.350 0.001 0.000 0.193 605 E C 2.035 178.583 176.600 -0.088 0.000 0.985 605 E CA 1.058 57.415 56.400 -0.072 0.000 0.814 605 E CB -0.165 29.506 29.700 -0.048 0.000 0.752 605 E HN 0.856 nan 8.360 nan 0.000 0.466 606 E N 0.731 120.843 120.200 -0.147 0.000 2.051 606 E HA -0.225 4.125 4.350 0.001 0.000 0.192 606 E C 2.008 178.497 176.600 -0.185 0.000 0.991 606 E CA 1.016 57.321 56.400 -0.159 0.000 0.799 606 E CB 0.047 29.628 29.700 -0.199 0.000 0.748 606 E HN 0.072 nan 8.360 nan 0.000 0.449 607 M N 0.514 119.922 119.600 -0.321 0.000 2.229 607 M HA -0.089 4.391 4.480 0.001 0.000 0.264 607 M C 2.309 178.587 176.300 -0.036 0.000 1.063 607 M CA 1.153 56.310 55.300 -0.238 0.000 1.114 607 M CB -0.350 32.038 32.600 -0.354 0.000 1.387 607 M HN 0.058 nan 8.290 nan 0.000 0.420 608 S N 0.448 116.139 115.700 -0.014 0.000 2.382 608 S HA -0.174 4.296 4.470 0.001 0.000 0.228 608 S C 1.777 176.489 174.600 0.187 0.000 1.027 608 S CA 1.562 59.827 58.200 0.107 0.000 0.991 608 S CB -0.287 62.938 63.200 0.041 0.000 0.823 608 S HN 0.654 nan 8.310 nan 0.000 0.469 609 K N 0.567 121.025 120.400 0.097 0.000 2.504 609 K HA 0.093 4.413 4.320 0.001 0.000 0.195 609 K C 1.424 178.088 176.600 0.107 0.000 1.036 609 K CA 0.689 57.041 56.287 0.110 0.000 0.984 609 K CB -0.279 32.253 32.500 0.053 0.000 0.788 609 K HN 0.388 nan 8.250 nan 0.000 0.488 610 L N 0.494 121.776 121.223 0.099 0.000 2.591 610 L HA 0.109 4.450 4.340 0.001 0.000 0.228 610 L C 1.623 178.565 176.870 0.121 0.000 1.133 610 L CA -0.241 54.644 54.840 0.074 0.000 0.880 610 L CB -0.249 41.828 42.059 0.030 0.000 1.033 610 L HN 0.089 nan 8.230 nan 0.000 0.450 611 F N 2.054 122.010 119.950 0.010 0.000 2.171 611 F HA -0.245 4.283 4.527 0.001 0.000 0.300 611 F C 2.481 178.236 175.800 -0.074 0.000 1.090 611 F CA 1.723 59.690 58.000 -0.054 0.000 1.293 611 F CB -0.050 38.751 39.000 -0.332 0.000 1.013 611 F HN 0.083 nan 8.300 nan 0.000 0.486 612 K N -0.749 119.618 120.400 -0.056 0.000 2.218 612 K HA -0.201 4.120 4.320 0.001 0.000 0.205 612 K C 0.391 176.903 176.600 -0.146 0.000 1.046 612 K CA 2.051 58.266 56.287 -0.119 0.000 0.933 612 K CB -0.560 31.935 32.500 -0.009 0.000 0.728 612 K HN 0.276 nan 8.250 nan 0.000 0.454 613 D N 0.097 120.437 120.400 -0.099 0.000 2.643 613 D HA 0.060 4.700 4.640 0.001 0.000 0.244 613 D C 0.477 176.724 176.300 -0.089 0.000 1.257 613 D CA -0.319 53.631 54.000 -0.083 0.000 0.831 613 D CB 0.028 40.794 40.800 -0.055 0.000 1.043 613 D HN 0.091 nan 8.370 nan 0.000 0.488 614 F N 2.491 122.246 119.950 -0.324 0.000 2.063 614 F HA -0.285 4.243 4.527 0.001 0.000 0.298 614 F C 1.674 177.364 175.800 -0.183 0.000 1.105 614 F CA 1.798 59.615 58.000 -0.305 0.000 1.215 614 F CB 0.218 38.895 39.000 -0.538 0.000 0.972 614 F HN -0.043 nan 8.300 nan 0.000 0.483 615 D N -1.172 119.186 120.400 -0.070 0.000 2.269 615 D HA -0.131 4.509 4.640 0.001 0.000 0.208 615 D C 2.325 178.543 176.300 -0.137 0.000 0.963 615 D CA 1.273 55.206 54.000 -0.110 0.000 0.864 615 D CB -0.200 40.584 40.800 -0.027 0.000 0.936 615 D HN 0.323 nan 8.370 nan 0.000 0.505 616 S N -0.318 115.309 115.700 -0.122 0.000 2.470 616 S HA 0.152 4.622 4.470 0.001 0.000 0.225 616 S C 0.855 175.385 174.600 -0.116 0.000 1.006 616 S CA -0.049 58.091 58.200 -0.100 0.000 0.934 616 S CB 0.161 63.317 63.200 -0.073 0.000 0.778 616 S HN 0.226 nan 8.310 nan 0.000 0.517 617 A N 1.564 124.286 122.820 -0.163 0.000 2.322 617 A HA 0.509 4.829 4.320 0.001 0.000 0.269 617 A C 0.039 177.519 177.584 -0.173 0.000 1.094 617 A CA -0.557 51.388 52.037 -0.155 0.000 0.807 617 A CB 0.244 19.145 19.000 -0.165 0.000 1.047 617 A HN 0.415 nan 8.150 nan 0.000 0.487 618 E N 2.102 122.229 120.200 -0.122 0.000 2.442 618 E HA 0.036 4.386 4.350 0.001 0.000 0.262 618 E C -1.369 175.149 176.600 -0.135 0.000 1.004 618 E CA -1.481 54.855 56.400 -0.108 0.000 0.928 618 E CB 0.199 29.857 29.700 -0.070 0.000 0.937 618 E HN 0.435 nan 8.360 nan 0.000 0.446 619 P HA -0.251 nan 4.420 nan 0.000 0.216 619 P C 1.038 178.289 177.300 -0.081 0.000 1.157 619 P CA 1.595 64.621 63.100 -0.123 0.000 0.880 619 P CB 0.146 31.799 31.700 -0.078 0.000 0.791 620 E N -0.632 119.541 120.200 -0.046 0.000 2.331 620 E HA -0.161 4.190 4.350 0.001 0.000 0.199 620 E C 1.632 178.232 176.600 0.000 0.000 1.008 620 E CA 1.157 57.549 56.400 -0.012 0.000 0.843 620 E CB -0.709 28.987 29.700 -0.006 0.000 0.761 620 E HN 0.260 nan 8.360 nan 0.000 0.507 621 M N 0.191 119.774 119.600 -0.029 0.000 2.514 621 M HA 0.176 4.656 4.480 0.001 0.000 0.258 621 M C 2.063 178.349 176.300 -0.023 0.000 1.159 621 M CA 0.314 55.611 55.300 -0.005 0.000 1.116 621 M CB -0.269 32.322 32.600 -0.016 0.000 1.333 621 M HN 0.050 nan 8.290 nan 0.000 0.487 622 R N -0.137 120.284 120.500 -0.133 0.000 2.117 622 R HA -0.148 4.193 4.340 0.001 0.000 0.243 622 R C 2.507 178.888 176.300 0.135 0.000 1.143 622 R CA 1.824 57.783 56.100 -0.234 0.000 0.968 622 R CB -0.534 29.365 30.300 -0.668 0.000 0.863 622 R HN 0.266 nan 8.270 nan 0.000 0.444 623 S N 0.484 116.258 115.700 0.123 0.000 2.351 623 S HA -0.180 4.291 4.470 0.001 0.000 0.220 623 S C 2.084 176.792 174.600 0.181 0.000 1.035 623 S CA 1.903 60.210 58.200 0.178 0.000 1.031 623 S CB -0.237 63.040 63.200 0.128 0.000 0.928 623 S HN 0.531 nan 8.310 nan 0.000 0.433 624 S N 1.026 116.817 115.700 0.152 0.000 2.399 624 S HA -0.027 4.443 4.470 0.001 0.000 0.231 624 S C 1.831 176.521 174.600 0.150 0.000 1.022 624 S CA 1.248 59.542 58.200 0.157 0.000 0.983 624 S CB -0.803 62.509 63.200 0.186 0.000 0.803 624 S HN 0.591 nan 8.310 nan 0.000 0.480 625 I N 2.169 122.845 120.570 0.177 0.000 2.202 625 I HA -0.112 4.058 4.170 0.001 0.000 0.242 625 I C 3.097 179.414 176.117 0.334 0.000 1.091 625 I CA 1.181 62.619 61.300 0.230 0.000 1.368 625 I CB -0.670 37.479 38.000 0.249 0.000 1.058 625 I HN 0.423 nan 8.210 nan 0.000 0.410 626 A N 0.171 123.244 122.820 0.422 0.000 1.902 626 A HA -0.193 4.127 4.320 0.001 0.000 0.217 626 A C 2.381 180.031 177.584 0.110 0.000 1.181 626 A CA 2.387 54.604 52.037 0.299 0.000 0.623 626 A CB -1.104 18.059 19.000 0.272 0.000 0.818 626 A HN 0.371 nan 8.150 nan 0.000 0.443 627 T N 0.224 114.850 114.554 0.120 0.000 2.788 627 T HA -0.021 4.329 4.350 0.001 0.000 0.268 627 T C 2.192 176.921 174.700 0.050 0.000 1.044 627 T CA 1.534 63.678 62.100 0.072 0.000 1.139 627 T CB -0.398 68.525 68.868 0.091 0.000 0.867 627 T HN 0.593 nan 8.240 nan 0.000 0.454 628 A N 0.472 123.333 122.820 0.069 0.000 1.877 628 A HA -0.087 4.234 4.320 0.001 0.000 0.216 628 A C 2.059 179.644 177.584 0.002 0.000 1.186 628 A CA 1.496 53.551 52.037 0.031 0.000 0.620 628 A CB -1.075 17.935 19.000 0.016 0.000 0.822 628 A HN 0.550 nan 8.150 nan 0.000 0.443 629 Y N 0.773 120.988 120.300 -0.142 0.000 2.081 629 Y HA -0.227 4.324 4.550 0.001 0.000 0.280 629 Y C 2.717 178.465 175.900 -0.253 0.000 1.163 629 Y CA 1.625 59.555 58.100 -0.284 0.000 1.135 629 Y CB -0.683 37.342 38.460 -0.726 0.000 0.970 629 Y HN 0.311 nan 8.280 nan 0.000 0.498 630 A N -0.061 122.657 122.820 -0.171 0.000 1.940 630 A HA -0.168 4.153 4.320 0.001 0.000 0.219 630 A C 2.352 179.847 177.584 -0.147 0.000 1.176 630 A CA 1.901 53.834 52.037 -0.173 0.000 0.631 630 A CB -1.098 17.864 19.000 -0.062 0.000 0.814 630 A HN 0.571 nan 8.150 nan 0.000 0.446 631 L N -0.908 120.258 121.223 -0.096 0.000 2.044 631 L HA -0.115 4.226 4.340 0.001 0.000 0.205 631 L C 2.504 179.316 176.870 -0.097 0.000 1.075 631 L CA 1.000 55.800 54.840 -0.066 0.000 0.747 631 L CB -0.426 41.620 42.059 -0.021 0.000 0.903 631 L HN 0.249 nan 8.230 nan 0.000 0.435 632 V N -0.642 119.195 119.914 -0.128 0.000 2.407 632 V HA -0.194 3.927 4.120 0.001 0.000 0.245 632 V C 2.574 178.551 176.094 -0.194 0.000 1.041 632 V CA 2.194 64.414 62.300 -0.133 0.000 1.040 632 V CB -0.487 31.270 31.823 -0.110 0.000 0.671 632 V HN 0.665 nan 8.190 nan 0.000 0.455 633 T N -3.064 111.285 114.554 -0.342 0.000 3.034 633 T HA 0.243 4.594 4.350 0.001 0.000 0.248 633 T C 1.652 176.162 174.700 -0.316 0.000 1.040 633 T CA 1.072 62.933 62.100 -0.398 0.000 1.107 633 T CB 0.467 68.879 68.868 -0.759 0.000 0.932 633 T HN 0.996 nan 8.240 nan 0.000 0.474 634 G N 1.983 110.596 108.800 -0.312 0.000 2.179 634 G HA2 -0.244 3.716 3.960 0.001 0.000 0.257 634 G HA3 -0.244 3.716 3.960 0.001 0.000 0.257 634 G C -0.161 174.640 174.900 -0.166 0.000 1.010 634 G CA 0.331 45.320 45.100 -0.184 0.000 0.736 634 G HN 0.799 nan 8.290 nan 0.000 0.513 635 D N 0.176 120.414 120.400 -0.270 0.000 2.470 635 D HA 0.327 4.968 4.640 0.001 0.000 0.226 635 D C 1.665 177.983 176.300 0.029 0.000 1.196 635 D CA -0.451 53.474 54.000 -0.125 0.000 0.979 635 D CB -0.083 40.623 40.800 -0.156 0.000 1.059 635 D HN 0.204 nan 8.370 nan 0.000 0.515 636 L N 3.421 124.673 121.223 0.047 0.000 2.012 636 L HA -0.194 4.146 4.340 0.001 0.000 0.210 636 L C 2.314 179.277 176.870 0.155 0.000 1.073 636 L CA 1.378 56.288 54.840 0.117 0.000 0.748 636 L CB -0.147 41.941 42.059 0.048 0.000 0.891 636 L HN 0.415 nan 8.230 nan 0.000 0.431 637 K N -0.489 119.976 120.400 0.108 0.000 2.001 637 K HA -0.222 4.098 4.320 0.001 0.000 0.214 637 K C 1.889 178.588 176.600 0.164 0.000 1.050 637 K CA 1.903 58.259 56.287 0.115 0.000 0.934 637 K CB -0.562 31.989 32.500 0.084 0.000 0.718 637 K HN 0.458 nan 8.250 nan 0.000 0.443 638 G N 1.418 110.339 108.800 0.201 0.000 2.446 638 G HA2 -0.260 3.701 3.960 0.001 0.000 0.217 638 G HA3 -0.260 3.701 3.960 0.001 0.000 0.217 638 G C 1.585 176.642 174.900 0.262 0.000 1.168 638 G CA 1.036 46.292 45.100 0.259 0.000 0.771 638 G HN 0.277 nan 8.290 nan 0.000 0.551 639 L N -0.569 120.803 121.223 0.249 0.000 2.046 639 L HA -0.029 4.311 4.340 0.001 0.000 0.208 639 L C 2.740 179.766 176.870 0.260 0.000 1.077 639 L CA 0.442 55.381 54.840 0.164 0.000 0.747 639 L CB -0.327 41.773 42.059 0.069 0.000 0.896 639 L HN 0.194 nan 8.230 nan 0.000 0.432 640 L N -0.176 121.267 121.223 0.368 0.000 2.131 640 L HA -0.212 4.129 4.340 0.001 0.000 0.210 640 L C 2.369 179.420 176.870 0.303 0.000 1.092 640 L CA 1.691 56.773 54.840 0.403 0.000 0.759 640 L CB -0.398 41.802 42.059 0.235 0.000 0.903 640 L HN 0.235 nan 8.230 nan 0.000 0.435 641 E N -1.064 119.259 120.200 0.205 0.000 2.046 641 E HA -0.249 4.101 4.350 0.001 0.000 0.190 641 E C 2.086 178.743 176.600 0.095 0.000 0.982 641 E CA 0.950 57.428 56.400 0.130 0.000 0.800 641 E CB -0.038 29.720 29.700 0.097 0.000 0.756 641 E HN 0.179 nan 8.360 nan 0.000 0.449 642 K N 0.773 121.222 120.400 0.083 0.000 2.103 642 K HA -0.167 4.154 4.320 0.001 0.000 0.207 642 K C 1.735 178.346 176.600 0.018 0.000 1.048 642 K CA 0.899 57.165 56.287 -0.034 0.000 0.930 642 K CB -0.463 31.945 32.500 -0.154 0.000 0.716 642 K HN 0.050 nan 8.250 nan 0.000 0.444 643 F N 0.932 120.866 119.950 -0.027 0.000 2.161 643 F HA -0.187 4.341 4.527 0.001 0.000 0.300 643 F C 1.693 177.513 175.800 0.033 0.000 1.089 643 F CA 1.707 59.718 58.000 0.018 0.000 1.282 643 F CB 0.016 39.128 39.000 0.188 0.000 1.010 643 F HN -0.031 nan 8.300 nan 0.000 0.485 644 R N -0.448 120.015 120.500 -0.063 0.000 2.105 644 R HA 0.069 4.410 4.340 0.001 0.000 0.214 644 R C 1.443 177.671 176.300 -0.120 0.000 1.091 644 R CA 0.940 56.937 56.100 -0.171 0.000 1.007 644 R CB -0.461 29.819 30.300 -0.034 0.000 0.912 644 R HN 0.283 nan 8.270 nan 0.000 0.450 645 S N 0.813 116.477 115.700 -0.060 0.000 4.069 645 S HA 0.342 4.812 4.470 0.001 0.000 0.192 645 S C -0.185 174.377 174.600 -0.064 0.000 1.441 645 S CA -0.476 57.691 58.200 -0.055 0.000 0.994 645 S CB 0.138 63.317 63.200 -0.036 0.000 1.456 645 S HN 0.032 nan 8.310 nan 0.000 0.458 646 V N 1.645 121.512 119.914 -0.078 0.000 3.108 646 V HA 0.460 4.581 4.120 0.001 0.000 0.287 646 V C -2.045 174.012 176.094 -0.061 0.000 1.436 646 V CA -0.777 61.492 62.300 -0.053 0.000 1.001 646 V CB 2.490 34.293 31.823 -0.034 0.000 1.141 646 V HN 0.807 nan 8.190 nan 0.000 0.443 647 D N 3.805 124.188 120.400 -0.028 0.000 2.525 647 D HA 0.749 5.389 4.640 0.001 0.000 0.249 647 D C -0.382 175.917 176.300 -0.002 0.000 1.072 647 D CA -0.807 53.176 54.000 -0.028 0.000 1.067 647 D CB 0.725 41.509 40.800 -0.027 0.000 1.282 647 D HN 0.817 nan 8.370 nan 0.000 0.587 648 R N -0.122 120.376 120.500 -0.002 0.000 1.654 648 R HA -0.134 4.207 4.340 0.001 0.000 0.396 648 R C -0.472 175.847 176.300 0.033 0.000 1.258 648 R CA 0.105 56.213 56.100 0.013 0.000 1.036 648 R CB -0.824 29.484 30.300 0.014 0.000 3.126 648 R HN 0.633 nan 8.270 nan 0.000 0.490 649 D N 2.527 122.946 120.400 0.033 0.000 2.280 649 D HA -0.230 4.410 4.640 0.001 0.000 0.206 649 D C 1.413 177.761 176.300 0.081 0.000 0.988 649 D CA 1.619 55.653 54.000 0.057 0.000 0.886 649 D CB 0.155 40.987 40.800 0.054 0.000 0.914 649 D HN 0.648 nan 8.370 nan 0.000 0.473 650 E N 0.667 120.908 120.200 0.068 0.000 2.049 650 E HA -0.207 4.144 4.350 0.001 0.000 0.198 650 E C 1.281 177.952 176.600 0.118 0.000 1.007 650 E CA 1.382 57.827 56.400 0.076 0.000 0.809 650 E CB 0.228 29.956 29.700 0.047 0.000 0.749 650 E HN 0.154 nan 8.360 nan 0.000 0.450 651 D N -0.416 120.070 120.400 0.143 0.000 2.149 651 D HA -0.108 4.532 4.640 0.001 0.000 0.201 651 D C 1.978 178.414 176.300 0.226 0.000 0.972 651 D CA 0.570 54.728 54.000 0.263 0.000 0.835 651 D CB -0.305 40.700 40.800 0.343 0.000 0.966 651 D HN 0.109 nan 8.370 nan 0.000 0.476 652 R N 0.617 121.215 120.500 0.162 0.000 2.091 652 R HA -0.112 4.228 4.340 0.001 0.000 0.238 652 R C 2.053 178.496 176.300 0.239 0.000 1.136 652 R CA 0.970 57.188 56.100 0.197 0.000 0.959 652 R CB -0.165 30.217 30.300 0.136 0.000 0.856 652 R HN 0.023 nan 8.270 nan 0.000 0.437 653 V N 0.629 120.654 119.914 0.185 0.000 2.626 653 V HA -0.196 3.925 4.120 0.001 0.000 0.252 653 V C 2.192 178.370 176.094 0.141 0.000 1.067 653 V CA 1.739 64.137 62.300 0.163 0.000 1.081 653 V CB -0.488 31.418 31.823 0.138 0.000 0.686 653 V HN 0.353 nan 8.190 nan 0.000 0.468 654 R N -0.407 120.189 120.500 0.160 0.000 2.092 654 R HA -0.050 4.290 4.340 0.001 0.000 0.231 654 R C 2.138 178.483 176.300 0.076 0.000 1.119 654 R CA 1.254 57.455 56.100 0.168 0.000 0.970 654 R CB -0.350 30.133 30.300 0.304 0.000 0.864 654 R HN 0.367 nan 8.270 nan 0.000 0.440 655 I N 0.617 121.186 120.570 -0.001 0.000 2.353 655 I HA -0.196 3.974 4.170 0.001 0.000 0.248 655 I C 2.051 177.893 176.117 -0.457 0.000 1.119 655 I CA 1.256 62.401 61.300 -0.258 0.000 1.417 655 I CB -0.148 37.708 38.000 -0.240 0.000 1.078 655 I HN 0.081 nan 8.210 nan 0.000 0.421 656 I N -0.655 119.824 120.570 -0.152 0.000 2.163 656 I HA -0.339 3.831 4.170 0.001 0.000 0.243 656 I C 2.665 178.862 176.117 0.134 0.000 1.085 656 I CA 1.636 62.955 61.300 0.032 0.000 1.347 656 I CB -0.502 37.585 38.000 0.144 0.000 1.044 656 I HN 0.199 nan 8.210 nan 0.000 0.408 657 S N 0.497 116.253 115.700 0.093 0.000 2.399 657 S HA -0.166 4.304 4.470 0.001 0.000 0.231 657 S C 2.152 176.799 174.600 0.079 0.000 1.022 657 S CA 1.324 59.590 58.200 0.110 0.000 0.983 657 S CB -0.195 63.064 63.200 0.097 0.000 0.803 657 S HN 0.470 nan 8.310 nan 0.000 0.480 658 A N 0.607 123.417 122.820 -0.017 0.000 1.898 658 A HA 0.092 4.412 4.320 0.001 0.000 0.216 658 A C 1.775 179.374 177.584 0.025 0.000 1.181 658 A CA 1.275 53.285 52.037 -0.047 0.000 0.620 658 A CB -1.004 17.905 19.000 -0.151 0.000 0.819 658 A HN 0.566 nan 8.150 nan 0.000 0.442 659 F N 0.677 120.676 119.950 0.081 0.000 2.147 659 F HA -0.144 4.384 4.527 0.001 0.000 0.301 659 F C 2.551 178.478 175.800 0.212 0.000 1.084 659 F CA 0.860 58.931 58.000 0.119 0.000 1.268 659 F CB -1.193 37.861 39.000 0.091 0.000 1.009 659 F HN 0.276 nan 8.300 nan 0.000 0.486 660 G N -0.866 108.149 108.800 0.359 0.000 2.625 660 G HA2 -0.164 3.797 3.960 0.001 0.000 0.214 660 G HA3 -0.164 3.797 3.960 0.001 0.000 0.214 660 G C 1.653 176.566 174.900 0.023 0.000 1.132 660 G CA 0.305 45.425 45.100 0.033 0.000 0.782 660 G HN 0.166 nan 8.290 nan 0.000 0.538 661 K N -0.041 120.400 120.400 0.069 0.000 2.374 661 K HA 0.245 4.565 4.320 0.001 0.000 0.196 661 K C 0.535 177.150 176.600 0.026 0.000 1.023 661 K CA -0.192 56.116 56.287 0.036 0.000 1.103 661 K CB 0.352 32.870 32.500 0.030 0.000 0.848 661 K HN 0.297 nan 8.250 nan 0.000 0.528 662 L N 1.953 123.205 121.223 0.048 0.000 2.367 662 L HA 0.107 4.448 4.340 0.001 0.000 0.275 662 L C 1.291 178.160 176.870 -0.001 0.000 1.129 662 L CA -0.309 54.543 54.840 0.021 0.000 0.839 662 L CB 0.561 42.649 42.059 0.048 0.000 1.133 662 L HN -0.222 nan 8.230 nan 0.000 0.453 663 K N 0.680 121.073 120.400 -0.011 0.000 2.365 663 K HA 0.033 4.353 4.320 0.001 0.000 0.197 663 K C 0.827 177.420 176.600 -0.012 0.000 1.042 663 K CA 0.199 56.483 56.287 -0.005 0.000 0.987 663 K CB 0.058 32.557 32.500 -0.001 0.000 0.779 663 K HN 0.488 nan 8.250 nan 0.000 0.484 664 S N 2.291 117.976 115.700 -0.026 0.000 2.455 664 S HA 0.026 4.497 4.470 0.001 0.000 0.278 664 S C 1.118 175.683 174.600 -0.059 0.000 1.216 664 S CA -0.429 57.752 58.200 -0.031 0.000 1.055 664 S CB 0.326 63.507 63.200 -0.032 0.000 0.939 664 S HN 0.288 nan 8.310 nan 0.000 0.494 665 N N 4.437 123.120 118.700 -0.027 0.000 2.348 665 N HA -0.127 4.613 4.740 0.001 0.000 0.185 665 N C 1.393 176.869 175.510 -0.055 0.000 1.019 665 N CA 2.309 55.344 53.050 -0.025 0.000 0.880 665 N CB -0.145 38.386 38.487 0.072 0.000 0.965 665 N HN 0.634 nan 8.380 nan 0.000 0.437 666 T N -0.199 114.333 114.554 -0.036 0.000 2.770 666 T HA -0.060 4.291 4.350 0.001 0.000 0.263 666 T C 0.997 175.653 174.700 -0.074 0.000 1.039 666 T CA 1.288 63.370 62.100 -0.031 0.000 1.142 666 T CB -0.354 68.505 68.868 -0.016 0.000 0.868 666 T HN 0.263 nan 8.240 nan 0.000 0.435 667 D N 1.364 121.711 120.400 -0.088 0.000 2.097 667 D HA -0.002 4.638 4.640 0.001 0.000 0.195 667 D C 2.112 178.306 176.300 -0.177 0.000 0.989 667 D CA 0.763 54.700 54.000 -0.105 0.000 0.827 667 D CB -0.490 40.272 40.800 -0.063 0.000 0.966 667 D HN 0.272 nan 8.370 nan 0.000 0.456 668 L N 0.485 121.554 121.223 -0.257 0.000 2.191 668 L HA -0.127 4.213 4.340 0.001 0.000 0.212 668 L C 2.335 178.842 176.870 -0.606 0.000 1.103 668 L CA 0.706 55.271 54.840 -0.458 0.000 0.769 668 L CB -0.177 41.383 42.059 -0.833 0.000 0.908 668 L HN -0.054 nan 8.230 nan 0.000 0.438 669 S N -1.216 114.274 115.700 -0.351 0.000 2.414 669 S HA -0.117 4.353 4.470 0.001 0.000 0.227 669 S C 2.000 176.626 174.600 0.042 0.000 1.022 669 S CA 1.425 59.658 58.200 0.055 0.000 0.958 669 S CB -0.026 63.259 63.200 0.142 0.000 0.797 669 S HN 0.422 nan 8.310 nan 0.000 0.493 670 T N 2.032 116.534 114.554 -0.086 0.000 2.737 670 T HA -0.031 4.319 4.350 0.001 0.000 0.265 670 T C 1.964 176.518 174.700 -0.244 0.000 1.038 670 T CA 1.174 63.197 62.100 -0.130 0.000 1.144 670 T CB -0.351 68.431 68.868 -0.142 0.000 0.866 670 T HN 0.180 nan 8.240 nan 0.000 0.434 671 V N 0.644 120.333 119.914 -0.374 0.000 2.343 671 V HA -0.169 3.951 4.120 0.001 0.000 0.247 671 V C 2.088 177.824 176.094 -0.596 0.000 1.051 671 V CA 1.590 63.488 62.300 -0.669 0.000 1.036 671 V CB -0.770 30.522 31.823 -0.884 0.000 0.654 671 V HN 0.495 nan 8.190 nan 0.000 0.451 672 Y N 2.173 122.216 120.300 -0.429 0.000 2.333 672 Y HA -0.064 4.487 4.550 0.001 0.000 0.290 672 Y C 2.270 178.121 175.900 -0.082 0.000 1.144 672 Y CA 1.170 59.186 58.100 -0.139 0.000 1.228 672 Y CB -0.774 37.957 38.460 0.452 0.000 0.985 672 Y HN 0.191 nan 8.280 nan 0.000 0.542 673 G N 0.023 108.719 108.800 -0.174 0.000 2.432 673 G HA2 -0.235 3.726 3.960 0.001 0.000 0.219 673 G HA3 -0.235 3.726 3.960 0.001 0.000 0.219 673 G C 1.576 176.331 174.900 -0.241 0.000 1.135 673 G CA 1.002 45.982 45.100 -0.201 0.000 0.767 673 G HN 0.445 nan 8.290 nan 0.000 0.550 674 M N 0.210 119.643 119.600 -0.279 0.000 2.229 674 M HA -0.014 4.466 4.480 0.001 0.000 0.264 674 M C 2.519 178.696 176.300 -0.206 0.000 1.063 674 M CA 0.751 55.911 55.300 -0.234 0.000 1.114 674 M CB -0.179 32.231 32.600 -0.316 0.000 1.387 674 M HN 0.108 nan 8.290 nan 0.000 0.420 675 V N 0.133 119.867 119.914 -0.300 0.000 2.407 675 V HA -0.178 3.942 4.120 0.001 0.000 0.245 675 V C 2.017 178.008 176.094 -0.171 0.000 1.041 675 V CA 1.609 63.780 62.300 -0.215 0.000 1.040 675 V CB -0.659 31.007 31.823 -0.261 0.000 0.671 675 V HN 0.447 nan 8.190 nan 0.000 0.455 676 E N 0.150 120.147 120.200 -0.339 0.000 2.153 676 E HA -0.197 4.153 4.350 0.001 0.000 0.194 676 E C 1.820 178.377 176.600 -0.071 0.000 0.988 676 E CA 0.961 57.223 56.400 -0.230 0.000 0.811 676 E CB -0.025 29.486 29.700 -0.315 0.000 0.746 676 E HN 0.537 nan 8.360 nan 0.000 0.466 677 K N 0.011 120.363 120.400 -0.080 0.000 2.417 677 K HA 0.009 4.329 4.320 0.001 0.000 0.196 677 K C 0.314 176.911 176.600 -0.006 0.000 1.023 677 K CA 0.843 57.109 56.287 -0.035 0.000 1.122 677 K CB 0.485 32.957 32.500 -0.047 0.000 0.850 677 K HN 0.152 nan 8.250 nan 0.000 0.521 678 T N -2.407 112.159 114.554 0.020 0.000 4.712 678 T HA -0.266 4.084 4.350 0.001 0.000 0.304 678 T C 0.757 175.476 174.700 0.033 0.000 1.250 678 T CA 1.559 63.683 62.100 0.041 0.000 2.371 678 T CB -2.000 66.873 68.868 0.007 0.000 1.829 678 T HN 0.535 nan 8.240 nan 0.000 0.953 679 E N -0.067 120.151 120.200 0.030 0.000 2.112 679 E HA 0.122 4.473 4.350 0.001 0.000 0.190 679 E C 0.652 177.346 176.600 0.156 0.000 0.979 679 E CA 0.536 56.983 56.400 0.078 0.000 0.814 679 E CB 0.150 29.898 29.700 0.080 0.000 0.762 679 E HN 0.738 nan 8.360 nan 0.000 0.460 680 I N 3.476 124.105 120.570 0.099 0.000 2.281 680 I HA 0.113 4.283 4.170 0.001 0.000 0.293 680 I C -0.117 176.070 176.117 0.116 0.000 1.085 680 I CA -0.158 61.218 61.300 0.128 0.000 1.257 680 I CB 0.650 38.620 38.000 -0.050 0.000 1.430 680 I HN -0.016 nan 8.210 nan 0.000 0.489 681 K N 5.312 125.793 120.400 0.134 0.000 2.561 681 K HA -0.127 4.193 4.320 0.001 0.000 0.280 681 K C 1.404 178.082 176.600 0.131 0.000 0.975 681 K CA 0.271 56.617 56.287 0.098 0.000 1.024 681 K CB 0.744 33.292 32.500 0.079 0.000 0.883 681 K HN 0.522 nan 8.250 nan 0.000 0.496 682 K N 2.166 122.635 120.400 0.116 0.000 2.211 682 K HA -0.296 4.024 4.320 0.001 0.000 0.204 682 K C 1.395 178.128 176.600 0.222 0.000 1.047 682 K CA 1.825 58.234 56.287 0.204 0.000 0.935 682 K CB -0.119 32.352 32.500 -0.048 0.000 0.728 682 K HN 0.658 nan 8.250 nan 0.000 0.452 683 Q N 0.465 120.356 119.800 0.152 0.000 2.369 683 Q HA -0.081 4.260 4.340 0.001 0.000 0.206 683 Q C 0.501 176.615 176.000 0.190 0.000 0.963 683 Q CA 1.202 57.119 55.803 0.189 0.000 0.894 683 Q CB 0.140 28.952 28.738 0.124 0.000 0.965 683 Q HN 0.386 nan 8.270 nan 0.000 0.475 684 D N 0.363 120.864 120.400 0.170 0.000 2.454 684 D HA 0.046 4.686 4.640 0.001 0.000 0.214 684 D C 1.744 178.119 176.300 0.125 0.000 1.088 684 D CA 0.080 54.171 54.000 0.153 0.000 0.855 684 D CB -0.022 40.875 40.800 0.161 0.000 1.025 684 D HN 0.237 nan 8.370 nan 0.000 0.502 685 M N 0.745 120.416 119.600 0.118 0.000 2.113 685 M HA -0.269 4.212 4.480 0.001 0.000 0.255 685 M C 1.869 178.089 176.300 -0.133 0.000 1.073 685 M CA 1.622 56.919 55.300 -0.007 0.000 1.091 685 M CB -0.147 32.522 32.600 0.116 0.000 1.309 685 M HN -0.093 nan 8.290 nan 0.000 0.407 686 I N 0.736 121.358 120.570 0.086 0.000 2.236 686 I HA -0.302 3.869 4.170 0.001 0.000 0.249 686 I C 2.353 178.538 176.117 0.112 0.000 1.102 686 I CA 1.692 63.087 61.300 0.157 0.000 1.365 686 I CB -0.412 37.713 38.000 0.207 0.000 1.051 686 I HN 0.383 nan 8.210 nan 0.000 0.420 687 S N -0.309 115.452 115.700 0.102 0.000 2.382 687 S HA -0.207 4.264 4.470 0.001 0.000 0.228 687 S C 1.883 176.557 174.600 0.124 0.000 1.027 687 S CA 1.365 59.636 58.200 0.118 0.000 0.991 687 S CB -0.541 62.736 63.200 0.129 0.000 0.823 687 S HN 0.532 nan 8.310 nan 0.000 0.469 688 F N 1.681 121.581 119.950 -0.083 0.000 2.146 688 F HA -0.018 4.509 4.527 0.001 0.000 0.298 688 F C 1.651 177.492 175.800 0.068 0.000 1.096 688 F CA 1.131 59.094 58.000 -0.061 0.000 1.275 688 F CB -0.590 38.297 39.000 -0.189 0.000 1.008 688 F HN 0.205 nan 8.300 nan 0.000 0.480 689 F N -0.281 119.709 119.950 0.067 0.000 2.134 689 F HA -0.210 4.317 4.527 0.001 0.000 0.299 689 F C 2.625 178.388 175.800 -0.061 0.000 1.097 689 F CA 0.926 58.898 58.000 -0.046 0.000 1.264 689 F CB -0.916 38.135 39.000 0.085 0.000 1.001 689 F HN -0.126 nan 8.300 nan 0.000 0.479 690 S N -0.311 115.501 115.700 0.187 0.000 2.359 690 S HA -0.243 4.227 4.470 0.001 0.000 0.224 690 S C 2.179 176.813 174.600 0.058 0.000 1.035 690 S CA 1.479 59.750 58.200 0.118 0.000 1.018 690 S CB -0.586 62.684 63.200 0.117 0.000 0.876 690 S HN 0.361 nan 8.310 nan 0.000 0.448 691 S N 1.632 117.348 115.700 0.025 0.000 2.359 691 S HA -0.106 4.364 4.470 0.001 0.000 0.224 691 S C 2.083 176.656 174.600 -0.045 0.000 1.035 691 S CA 1.297 59.498 58.200 0.001 0.000 1.018 691 S CB -0.587 62.619 63.200 0.010 0.000 0.876 691 S HN 0.530 nan 8.310 nan 0.000 0.448 692 A N 1.148 123.881 122.820 -0.146 0.000 2.076 692 A HA 0.026 4.347 4.320 0.001 0.000 0.220 692 A C 2.124 179.691 177.584 -0.028 0.000 1.160 692 A CA 1.308 53.263 52.037 -0.136 0.000 0.653 692 A CB -0.744 18.107 19.000 -0.248 0.000 0.801 692 A HN 0.613 nan 8.150 nan 0.000 0.455 693 L N -0.720 120.500 121.223 -0.004 0.000 2.362 693 L HA -0.119 4.221 4.340 0.001 0.000 0.219 693 L C 1.775 178.647 176.870 0.003 0.000 1.134 693 L CA 0.917 55.766 54.840 0.014 0.000 0.807 693 L CB -0.330 41.747 42.059 0.029 0.000 0.927 693 L HN 0.481 nan 8.230 nan 0.000 0.447 694 E N -0.494 119.709 120.200 0.005 0.000 2.476 694 E HA -0.004 4.347 4.350 0.001 0.000 0.191 694 E C 0.537 177.141 176.600 0.008 0.000 1.064 694 E CA 0.146 56.549 56.400 0.004 0.000 0.866 694 E CB 0.207 29.921 29.700 0.022 0.000 0.952 694 E HN 0.409 nan 8.360 nan 0.000 0.492 695 T N -3.378 111.184 114.554 0.013 0.000 2.906 695 T HA 0.292 4.642 4.350 0.001 0.000 0.295 695 T C 0.688 175.411 174.700 0.038 0.000 1.075 695 T CA -0.860 61.257 62.100 0.027 0.000 1.005 695 T CB 1.639 70.525 68.868 0.030 0.000 1.136 695 T HN -0.032 nan 8.240 nan 0.000 0.498 696 L N 1.454 122.708 121.223 0.052 0.000 2.027 696 L HA 0.108 4.449 4.340 0.001 0.000 0.206 696 L C -0.405 176.515 176.870 0.083 0.000 1.074 696 L CA 1.063 55.942 54.840 0.064 0.000 0.745 696 L CB -0.700 41.403 42.059 0.074 0.000 0.898 696 L HN 0.631 nan 8.230 nan 0.000 0.433 697 P HA -0.095 nan 4.420 nan 0.000 0.221 697 P C 1.514 178.881 177.300 0.110 0.000 1.150 697 P CA 1.685 64.837 63.100 0.087 0.000 0.800 697 P CB -0.183 31.551 31.700 0.058 0.000 0.787 698 G N 0.685 109.534 108.800 0.081 0.000 2.418 698 G HA2 -0.219 3.742 3.960 0.001 0.000 0.217 698 G HA3 -0.219 3.742 3.960 0.001 0.000 0.217 698 G C 1.863 176.836 174.900 0.121 0.000 1.158 698 G CA 0.347 45.498 45.100 0.085 0.000 0.771 698 G HN 0.214 nan 8.290 nan 0.000 0.545 699 R N 0.046 120.608 120.500 0.103 0.000 2.120 699 R HA -0.000 4.340 4.340 0.001 0.000 0.234 699 R C 2.504 178.894 176.300 0.151 0.000 1.123 699 R CA 1.002 57.172 56.100 0.118 0.000 0.975 699 R CB -0.072 30.301 30.300 0.121 0.000 0.866 699 R HN 0.304 nan 8.270 nan 0.000 0.446 700 E N -0.016 120.290 120.200 0.178 0.000 2.051 700 E HA -0.203 4.147 4.350 0.001 0.000 0.192 700 E C 1.701 178.373 176.600 0.120 0.000 0.991 700 E CA 1.029 57.519 56.400 0.150 0.000 0.799 700 E CB -0.213 29.592 29.700 0.176 0.000 0.748 700 E HN 0.221 nan 8.360 nan 0.000 0.449 701 F N 1.877 121.828 119.950 0.003 0.000 2.102 701 F HA -0.209 4.318 4.527 0.001 0.000 0.298 701 F C 2.137 177.882 175.800 -0.092 0.000 1.105 701 F CA 0.985 58.967 58.000 -0.030 0.000 1.239 701 F CB -0.202 38.798 39.000 0.001 0.000 0.991 701 F HN -0.084 nan 8.300 nan 0.000 0.474 702 I N -0.125 120.370 120.570 -0.125 0.000 2.163 702 I HA -0.325 3.846 4.170 0.001 0.000 0.243 702 I C 2.517 178.459 176.117 -0.291 0.000 1.085 702 I CA 1.651 62.788 61.300 -0.271 0.000 1.347 702 I CB -1.788 36.150 38.000 -0.104 0.000 1.044 702 I HN 0.244 nan 8.210 nan 0.000 0.408 703 F N 1.902 121.659 119.950 -0.322 0.000 2.134 703 F HA -0.145 4.382 4.527 0.001 0.000 0.299 703 F C 2.486 178.079 175.800 -0.346 0.000 1.097 703 F CA 1.633 59.416 58.000 -0.362 0.000 1.264 703 F CB -0.056 38.577 39.000 -0.612 0.000 1.001 703 F HN 0.017 nan 8.300 nan 0.000 0.479 704 A N 0.068 122.611 122.820 -0.462 0.000 2.015 704 A HA -0.157 4.163 4.320 0.001 0.000 0.219 704 A C 1.216 178.486 177.584 -0.523 0.000 1.163 704 A CA 1.794 53.541 52.037 -0.482 0.000 0.646 704 A CB -0.709 18.155 19.000 -0.227 0.000 0.806 704 A HN 0.569 nan 8.150 nan 0.000 0.448 705 N N -1.025 117.303 118.700 -0.619 0.000 2.282 705 N HA 0.209 4.950 4.740 0.001 0.000 0.240 705 N C 0.745 175.940 175.510 -0.526 0.000 1.182 705 N CA -0.263 52.426 53.050 -0.603 0.000 0.874 705 N CB 0.587 38.535 38.487 -0.899 0.000 1.126 705 N HN 0.255 nan 8.380 nan 0.000 0.516 706 L N 0.910 121.842 121.223 -0.485 0.000 2.042 706 L HA -0.142 4.198 4.340 0.001 0.000 0.210 706 L C 1.610 178.310 176.870 -0.283 0.000 1.076 706 L CA 1.875 56.493 54.840 -0.369 0.000 0.749 706 L CB -0.486 41.386 42.059 -0.312 0.000 0.893 706 L HN 0.218 nan 8.230 nan 0.000 0.432 707 D N -1.372 118.871 120.400 -0.263 0.000 2.144 707 D HA -0.170 4.471 4.640 0.001 0.000 0.200 707 D C 2.235 178.453 176.300 -0.136 0.000 0.978 707 D CA 1.117 55.012 54.000 -0.174 0.000 0.833 707 D CB 0.080 40.787 40.800 -0.156 0.000 0.961 707 D HN 0.309 nan 8.370 nan 0.000 0.470 708 R N -0.334 120.076 120.500 -0.151 0.000 2.073 708 R HA -0.044 4.297 4.340 0.001 0.000 0.229 708 R C 2.062 178.339 176.300 -0.039 0.000 1.120 708 R CA 0.764 56.827 56.100 -0.061 0.000 0.967 708 R CB -0.234 30.058 30.300 -0.012 0.000 0.862 708 R HN 0.253 nan 8.270 nan 0.000 0.436 709 I N 1.177 121.641 120.570 -0.177 0.000 2.142 709 I HA -0.230 3.940 4.170 0.001 0.000 0.240 709 I C 2.303 178.312 176.117 -0.180 0.000 1.078 709 I CA 1.246 62.404 61.300 -0.236 0.000 1.343 709 I CB -0.573 37.071 38.000 -0.593 0.000 1.046 709 I HN 0.081 nan 8.210 nan 0.000 0.405 710 I N -0.183 120.282 120.570 -0.174 0.000 2.202 710 I HA -0.253 3.918 4.170 0.001 0.000 0.242 710 I C 2.604 178.704 176.117 -0.027 0.000 1.091 710 I CA 1.120 62.362 61.300 -0.097 0.000 1.368 710 I CB -0.421 37.525 38.000 -0.091 0.000 1.058 710 I HN 0.143 nan 8.210 nan 0.000 0.410 711 R N 0.442 120.925 120.500 -0.028 0.000 2.159 711 R HA -0.167 4.174 4.340 0.001 0.000 0.237 711 R C 2.316 178.639 176.300 0.038 0.000 1.131 711 R CA 1.205 57.311 56.100 0.009 0.000 0.982 711 R CB -0.313 29.987 30.300 0.000 0.000 0.868 711 R HN 0.404 nan 8.270 nan 0.000 0.453 712 L N 0.267 121.500 121.223 0.016 0.000 2.131 712 L HA -0.079 4.261 4.340 0.001 0.000 0.206 712 L C 1.897 178.770 176.870 0.006 0.000 1.087 712 L CA 0.816 55.639 54.840 -0.027 0.000 0.767 712 L CB 0.114 42.116 42.059 -0.095 0.000 0.917 712 L HN -0.073 nan 8.230 nan 0.000 0.441 713 V N 0.214 120.186 119.914 0.097 0.000 2.626 713 V HA -0.258 3.862 4.120 0.001 0.000 0.252 713 V C 2.336 178.648 176.094 0.363 0.000 1.067 713 V CA 1.716 64.192 62.300 0.293 0.000 1.081 713 V CB -0.335 31.613 31.823 0.207 0.000 0.686 713 V HN 0.386 nan 8.190 nan 0.000 0.468 714 I N 0.714 121.407 120.570 0.206 0.000 2.252 714 I HA -0.224 3.947 4.170 0.001 0.000 0.245 714 I C 2.707 178.954 176.117 0.216 0.000 1.102 714 I CA 1.878 63.289 61.300 0.186 0.000 1.385 714 I CB -0.344 37.718 38.000 0.104 0.000 1.064 714 I HN 0.348 nan 8.210 nan 0.000 0.414 715 R N -0.490 120.138 120.500 0.213 0.000 2.240 715 R HA -0.113 4.228 4.340 0.001 0.000 0.203 715 R C 1.919 178.372 176.300 0.255 0.000 1.011 715 R CA 0.934 57.156 56.100 0.202 0.000 1.007 715 R CB -0.445 29.959 30.300 0.174 0.000 0.911 715 R HN 0.206 nan 8.270 nan 0.000 0.468 716 Y N -0.169 120.175 120.300 0.073 0.000 2.337 716 Y HA 0.087 4.638 4.550 0.001 0.000 0.293 716 Y C 1.010 176.737 175.900 -0.288 0.000 1.123 716 Y CA 0.747 58.789 58.100 -0.097 0.000 1.201 716 Y CB 0.183 38.593 38.460 -0.083 0.000 1.011 716 Y HN -0.011 nan 8.280 nan 0.000 0.545 717 F N -1.994 118.079 119.950 0.205 0.000 2.549 717 F HA 0.214 4.741 4.527 0.001 0.000 0.275 717 F C 0.503 176.355 175.800 0.087 0.000 0.990 717 F CA 0.610 58.685 58.000 0.125 0.000 1.274 717 F CB -0.413 38.665 39.000 0.131 0.000 1.064 717 F HN -0.422 nan 8.300 nan 0.000 0.715 718 T N 0.721 115.457 114.554 0.304 0.000 0.561 718 T HA 0.331 4.682 4.350 0.001 0.000 0.771 718 T C 0.062 174.849 174.700 0.146 0.000 0.992 718 T CA 0.470 62.677 62.100 0.177 0.000 4.065 718 T CB -1.254 67.685 68.868 0.119 0.000 2.296 718 T HN 1.124 nan 8.240 nan 0.000 0.396 719 G N 2.840 111.704 108.800 0.107 0.000 2.350 719 G HA2 0.382 4.342 3.960 0.001 0.000 0.085 719 G HA3 0.382 4.342 3.960 0.001 0.000 0.085 719 G C -0.909 174.027 174.900 0.059 0.000 1.159 719 G CA 0.424 45.571 45.100 0.077 0.000 1.146 719 G HN 1.794 nan 8.290 nan 0.000 0.449 720 N N -0.762 117.966 118.700 0.048 0.000 2.528 720 N HA 0.351 5.092 4.740 0.001 0.000 0.266 720 N C 0.172 175.696 175.510 0.023 0.000 1.528 720 N CA 0.212 53.282 53.050 0.033 0.000 0.959 720 N CB 1.086 39.592 38.487 0.031 0.000 1.430 720 N HN 0.682 nan 8.380 nan 0.000 0.511 721 R N -0.286 120.220 120.500 0.011 0.000 3.069 721 R HA 0.288 4.629 4.340 0.001 0.000 0.141 721 R C 0.822 177.085 176.300 -0.061 0.000 1.845 721 R CA 0.664 56.758 56.100 -0.011 0.000 1.419 721 R CB -0.432 29.867 30.300 -0.002 0.000 1.346 721 R HN 0.034 nan 8.270 nan 0.000 0.467 722 T N 1.532 115.993 114.554 -0.155 0.000 2.635 722 T HA -0.162 4.189 4.350 0.001 0.000 0.267 722 T C 1.829 176.428 174.700 -0.168 0.000 1.040 722 T CA 1.853 63.777 62.100 -0.293 0.000 1.156 722 T CB -0.568 67.783 68.868 -0.861 0.000 0.863 722 T HN 0.504 nan 8.240 nan 0.000 0.430 723 A N 0.840 123.600 122.820 -0.099 0.000 1.917 723 A HA -0.140 4.181 4.320 0.001 0.000 0.219 723 A C 2.572 180.145 177.584 -0.017 0.000 1.182 723 A CA 2.297 54.322 52.037 -0.021 0.000 0.633 723 A CB -1.066 17.954 19.000 0.033 0.000 0.819 723 A HN 0.462 nan 8.150 nan 0.000 0.448 724 S N -0.888 114.804 115.700 -0.014 0.000 2.383 724 S HA -0.136 4.334 4.470 0.001 0.000 0.227 724 S C 2.159 176.757 174.600 -0.003 0.000 1.026 724 S CA 1.272 59.470 58.200 -0.003 0.000 0.981 724 S CB -0.290 62.914 63.200 0.006 0.000 0.818 724 S HN 0.639 nan 8.310 nan 0.000 0.472 725 R N 0.055 120.548 120.500 -0.012 0.000 2.092 725 R HA -0.008 4.332 4.340 0.001 0.000 0.231 725 R C 2.438 178.742 176.300 0.007 0.000 1.119 725 R CA 1.763 57.862 56.100 -0.001 0.000 0.970 725 R CB -0.854 29.440 30.300 -0.010 0.000 0.864 725 R HN 0.362 nan 8.270 nan 0.000 0.440 726 T N 1.076 115.628 114.554 -0.004 0.000 2.708 726 T HA -0.134 4.216 4.350 0.001 0.000 0.266 726 T C 2.085 176.783 174.700 -0.004 0.000 1.037 726 T CA 1.734 63.839 62.100 0.008 0.000 1.146 726 T CB -0.291 68.576 68.868 -0.001 0.000 0.865 726 T HN 0.264 nan 8.240 nan 0.000 0.435 727 V N 0.705 120.612 119.914 -0.012 0.000 2.358 727 V HA -0.094 4.027 4.120 0.001 0.000 0.246 727 V C 2.289 178.389 176.094 0.010 0.000 1.047 727 V CA 2.065 64.359 62.300 -0.010 0.000 1.035 727 V CB -0.868 30.949 31.823 -0.011 0.000 0.658 727 V HN 0.477 nan 8.190 nan 0.000 0.452 728 E N 0.011 120.221 120.200 0.016 0.000 2.118 728 E HA -0.285 4.065 4.350 0.001 0.000 0.195 728 E C 2.177 178.803 176.600 0.044 0.000 0.992 728 E CA 2.116 58.532 56.400 0.027 0.000 0.804 728 E CB -0.204 29.510 29.700 0.024 0.000 0.741 728 E HN 0.763 nan 8.360 nan 0.000 0.458 729 M N -0.193 119.435 119.600 0.047 0.000 2.098 729 M HA -0.149 4.331 4.480 0.001 0.000 0.262 729 M C 2.126 178.470 176.300 0.073 0.000 1.072 729 M CA 1.435 56.778 55.300 0.073 0.000 1.133 729 M CB -0.028 32.616 32.600 0.074 0.000 1.344 729 M HN 0.158 nan 8.290 nan 0.000 0.414 730 M N 0.538 120.163 119.600 0.042 0.000 2.099 730 M HA -0.182 4.299 4.480 0.001 0.000 0.262 730 M C 2.078 178.399 176.300 0.035 0.000 1.067 730 M CA 1.162 56.479 55.300 0.029 0.000 1.124 730 M CB -0.564 32.030 32.600 -0.010 0.000 1.353 730 M HN 0.285 nan 8.290 nan 0.000 0.410 731 I N 0.807 121.396 120.570 0.033 0.000 2.118 731 I HA -0.211 3.959 4.170 0.001 0.000 0.241 731 I C -0.460 175.678 176.117 0.035 0.000 1.070 731 I CA 1.915 63.236 61.300 0.034 0.000 1.327 731 I CB -2.828 35.189 38.000 0.029 0.000 1.034 731 I HN 0.174 nan 8.210 nan 0.000 0.405 732 P HA -0.054 nan 4.420 nan 0.000 0.228 732 P C 1.915 179.230 177.300 0.025 0.000 1.151 732 P CA 1.050 64.184 63.100 0.056 0.000 0.770 732 P CB 0.176 31.944 31.700 0.114 0.000 0.786 733 V N 0.655 120.578 119.914 0.015 0.000 2.490 733 V HA -0.049 4.072 4.120 0.001 0.000 0.238 733 V C 2.503 178.584 176.094 -0.022 0.000 1.056 733 V CA 0.978 63.258 62.300 -0.033 0.000 1.075 733 V CB -0.742 31.063 31.823 -0.031 0.000 0.746 733 V HN -0.011 nan 8.190 nan 0.000 0.479 734 I N -0.537 120.046 120.570 0.022 0.000 3.111 734 I HA 0.158 4.328 4.170 0.001 0.000 0.272 734 I C 1.968 178.105 176.117 0.033 0.000 1.268 734 I CA 1.390 62.734 61.300 0.074 0.000 1.467 734 I CB -0.710 37.372 38.000 0.137 0.000 1.087 734 I HN 0.213 nan 8.210 nan 0.000 0.467 735 G N 1.567 110.366 108.800 -0.001 0.000 2.650 735 G HA2 0.050 4.010 3.960 0.001 0.000 0.214 735 G HA3 0.050 4.010 3.960 0.001 0.000 0.214 735 G C 1.528 176.380 174.900 -0.081 0.000 1.136 735 G CA 0.201 45.285 45.100 -0.027 0.000 0.789 735 G HN 0.392 nan 8.290 nan 0.000 0.536 736 L N 0.224 121.387 121.223 -0.099 0.000 2.005 736 L HA 0.013 4.354 4.340 0.001 0.000 0.207 736 L C 2.120 178.871 176.870 -0.198 0.000 1.072 736 L CA 1.190 55.957 54.840 -0.122 0.000 0.744 736 L CB -0.180 41.814 42.059 -0.109 0.000 0.895 736 L HN 0.024 nan 8.230 nan 0.000 0.433 737 D N -1.886 118.323 120.400 -0.318 0.000 2.333 737 D HA -0.008 4.633 4.640 0.001 0.000 0.208 737 D C 0.202 176.008 176.300 -0.823 0.000 0.984 737 D CA 0.782 54.456 54.000 -0.544 0.000 0.873 737 D CB 0.121 40.528 40.800 -0.656 0.000 0.935 737 D HN 0.420 nan 8.370 nan 0.000 0.521 738 H N -1.163 117.705 119.070 -0.336 0.000 2.380 738 H HA 0.227 4.784 4.556 0.001 0.000 0.231 738 H C -1.864 173.253 175.328 -0.353 0.000 1.415 738 H CA -1.386 54.311 56.048 -0.586 0.000 1.433 738 H CB 1.426 30.431 29.762 -1.261 0.000 1.544 738 H HN -0.111 nan 8.280 nan 0.000 0.503 739 P HA -0.206 nan 4.420 nan 0.000 0.217 739 P C 0.905 178.207 177.300 0.003 0.000 1.148 739 P CA 1.230 64.296 63.100 -0.057 0.000 0.834 739 P CB 0.352 32.019 31.700 -0.054 0.000 0.783 740 D N -1.109 119.309 120.400 0.031 0.000 2.378 740 D HA -0.040 4.600 4.640 0.001 0.000 0.222 740 D C 1.851 178.294 176.300 0.238 0.000 0.980 740 D CA 0.817 54.901 54.000 0.140 0.000 0.907 740 D CB -0.369 40.563 40.800 0.220 0.000 0.899 740 D HN 0.114 nan 8.370 nan 0.000 0.527 741 A N 1.845 124.813 122.820 0.247 0.000 1.892 741 A HA -0.267 4.054 4.320 0.001 0.000 0.218 741 A C 2.145 179.806 177.584 0.128 0.000 1.188 741 A CA 1.933 54.138 52.037 0.280 0.000 0.631 741 A CB -0.629 18.494 19.000 0.207 0.000 0.822 741 A HN 0.451 nan 8.150 nan 0.000 0.447 742 E N -0.611 119.636 120.200 0.078 0.000 2.204 742 E HA -0.227 4.123 4.350 0.001 0.000 0.195 742 E C 0.951 177.572 176.600 0.036 0.000 0.990 742 E CA 1.303 57.729 56.400 0.043 0.000 0.821 742 E CB -0.409 29.308 29.700 0.029 0.000 0.750 742 E HN 0.537 nan 8.360 nan 0.000 0.477 743 D N 1.235 121.664 120.400 0.048 0.000 2.123 743 D HA -0.086 4.555 4.640 0.001 0.000 0.200 743 D C 2.094 178.405 176.300 0.019 0.000 0.976 743 D CA 0.684 54.704 54.000 0.033 0.000 0.831 743 D CB -0.067 40.757 40.800 0.041 0.000 0.974 743 D HN 0.208 nan 8.370 nan 0.000 0.469 744 I N 1.150 121.735 120.570 0.025 0.000 2.194 744 I HA -0.204 3.967 4.170 0.001 0.000 0.246 744 I C 2.515 178.612 176.117 -0.033 0.000 1.093 744 I CA 0.805 62.090 61.300 -0.025 0.000 1.355 744 I CB -1.092 36.865 38.000 -0.072 0.000 1.046 744 I HN -0.083 nan 8.210 nan 0.000 0.413 745 V N 0.622 120.526 119.914 -0.017 0.000 2.427 745 V HA -0.205 3.916 4.120 0.001 0.000 0.248 745 V C 2.701 178.787 176.094 -0.013 0.000 1.051 745 V CA 1.582 63.869 62.300 -0.022 0.000 1.048 745 V CB -0.823 30.992 31.823 -0.013 0.000 0.666 745 V HN 0.375 nan 8.190 nan 0.000 0.456 746 R N 0.660 121.158 120.500 -0.003 0.000 2.096 746 R HA -0.199 4.142 4.340 0.001 0.000 0.235 746 R C 2.150 178.447 176.300 -0.004 0.000 1.127 746 R CA 1.861 57.961 56.100 -0.001 0.000 0.968 746 R CB -0.357 29.945 30.300 0.004 0.000 0.861 746 R HN 0.587 nan 8.270 nan 0.000 0.440 747 N N 0.501 119.195 118.700 -0.009 0.000 2.364 747 N HA -0.119 4.622 4.740 0.001 0.000 0.183 747 N C 1.457 176.959 175.510 -0.014 0.000 1.022 747 N CA 0.947 53.990 53.050 -0.012 0.000 0.883 747 N CB -0.059 38.417 38.487 -0.019 0.000 0.965 747 N HN 0.292 nan 8.380 nan 0.000 0.438 748 I N -0.594 119.967 120.570 -0.016 0.000 2.493 748 I HA -0.047 4.124 4.170 0.001 0.000 0.254 748 I C 1.357 177.472 176.117 -0.004 0.000 1.160 748 I CA 0.789 62.081 61.300 -0.013 0.000 1.445 748 I CB -0.554 37.437 38.000 -0.016 0.000 1.086 748 I HN 0.292 nan 8.210 nan 0.000 0.433 749 G N 1.500 110.299 108.800 -0.002 0.000 2.246 749 G HA2 -0.285 3.675 3.960 0.001 0.000 0.273 749 G HA3 -0.285 3.675 3.960 0.001 0.000 0.273 749 G C 0.337 175.241 174.900 0.007 0.000 1.055 749 G CA 0.514 45.615 45.100 0.003 0.000 0.851 749 G HN 0.405 nan 8.290 nan 0.000 0.500 750 S N -0.657 115.048 115.700 0.008 0.000 2.434 750 S HA 0.489 4.960 4.470 0.001 0.000 0.318 750 S C 1.532 176.140 174.600 0.014 0.000 1.062 750 S CA -0.268 57.940 58.200 0.013 0.000 1.116 750 S CB 0.459 63.669 63.200 0.016 0.000 0.977 750 S HN 0.398 nan 8.310 nan 0.000 0.480 751 K N 3.341 123.750 120.400 0.014 0.000 2.442 751 K HA -0.034 4.287 4.320 0.001 0.000 0.198 751 K C 0.967 177.577 176.600 0.017 0.000 1.042 751 K CA 0.915 57.211 56.287 0.014 0.000 0.958 751 K CB -0.104 32.404 32.500 0.014 0.000 0.766 751 K HN 0.519 nan 8.250 nan 0.000 0.474 752 N N 0.975 119.687 118.700 0.021 0.000 2.550 752 N HA -0.049 4.691 4.740 0.001 0.000 0.186 752 N C 1.344 176.867 175.510 0.022 0.000 1.110 752 N CA 0.748 53.812 53.050 0.024 0.000 0.912 752 N CB 0.089 38.595 38.487 0.031 0.000 0.968 752 N HN 0.395 nan 8.380 nan 0.000 0.448 753 I N -5.140 115.441 120.570 0.018 0.000 4.240 753 I HA 0.357 4.527 4.170 0.001 0.000 0.331 753 I C 0.940 177.065 176.117 0.013 0.000 1.381 753 I CA -0.101 61.208 61.300 0.015 0.000 1.136 753 I CB 0.468 38.474 38.000 0.011 0.000 1.137 753 I HN -0.223 nan 8.210 nan 0.000 0.411 754 S N 1.883 117.590 115.700 0.013 0.000 2.387 754 S HA -0.145 4.326 4.470 0.001 0.000 0.230 754 S C 1.911 176.519 174.600 0.013 0.000 1.035 754 S CA 2.189 60.396 58.200 0.012 0.000 1.014 754 S CB -0.351 62.856 63.200 0.012 0.000 0.836 754 S HN 0.496 nan 8.310 nan 0.000 0.466 755 M N 0.833 120.443 119.600 0.016 0.000 2.086 755 M HA -0.048 4.433 4.480 0.001 0.000 0.261 755 M C 2.603 178.913 176.300 0.017 0.000 1.067 755 M CA 1.595 56.906 55.300 0.019 0.000 1.116 755 M CB -1.032 31.582 32.600 0.024 0.000 1.348 755 M HN 0.457 nan 8.290 nan 0.000 0.407 756 G N 0.522 109.331 108.800 0.016 0.000 2.422 756 G HA2 -0.202 3.758 3.960 0.001 0.000 0.218 756 G HA3 -0.202 3.758 3.960 0.001 0.000 0.218 756 G C 1.454 176.362 174.900 0.013 0.000 1.146 756 G CA 0.596 45.705 45.100 0.015 0.000 0.769 756 G HN 0.324 nan 8.290 nan 0.000 0.547 757 L N 1.197 122.427 121.223 0.011 0.000 2.083 757 L HA 0.178 4.518 4.340 0.001 0.000 0.209 757 L C 2.997 179.874 176.870 0.011 0.000 1.083 757 L CA 2.057 56.903 54.840 0.010 0.000 0.752 757 L CB -0.530 41.534 42.059 0.008 0.000 0.899 757 L HN 0.216 nan 8.230 nan 0.000 0.433 758 A N -0.716 122.111 122.820 0.011 0.000 1.898 758 A HA -0.184 4.137 4.320 0.001 0.000 0.216 758 A C 2.325 179.915 177.584 0.010 0.000 1.181 758 A CA 1.714 53.756 52.037 0.010 0.000 0.620 758 A CB -0.436 18.570 19.000 0.010 0.000 0.819 758 A HN 0.474 nan 8.150 nan 0.000 0.442 759 K N -0.718 119.689 120.400 0.013 0.000 2.057 759 K HA -0.086 4.234 4.320 0.001 0.000 0.207 759 K C 2.145 178.755 176.600 0.017 0.000 1.049 759 K CA 1.073 57.368 56.287 0.013 0.000 0.931 759 K CB -0.424 32.086 32.500 0.016 0.000 0.714 759 K HN 0.461 nan 8.250 nan 0.000 0.440 760 G N 1.604 110.415 108.800 0.020 0.000 2.421 760 G HA2 -0.228 3.733 3.960 0.001 0.000 0.216 760 G HA3 -0.228 3.733 3.960 0.001 0.000 0.216 760 G C 1.508 176.422 174.900 0.023 0.000 1.171 760 G CA 0.634 45.750 45.100 0.027 0.000 0.775 760 G HN 0.140 nan 8.290 nan 0.000 0.543 761 I N 0.455 121.034 120.570 0.015 0.000 2.361 761 I HA -0.131 4.039 4.170 0.001 0.000 0.251 761 I C 2.623 178.742 176.117 0.004 0.000 1.133 761 I CA 1.255 62.560 61.300 0.009 0.000 1.413 761 I CB -0.125 37.879 38.000 0.006 0.000 1.073 761 I HN 0.320 nan 8.210 nan 0.000 0.424 762 E N 0.916 121.118 120.200 0.004 0.000 2.028 762 E HA -0.232 4.119 4.350 0.001 0.000 0.191 762 E C 2.294 178.892 176.600 -0.003 0.000 0.988 762 E CA 1.208 57.605 56.400 -0.004 0.000 0.799 762 E CB 0.093 29.790 29.700 -0.006 0.000 0.755 762 E HN 0.256 nan 8.360 nan 0.000 0.447 763 M N 0.736 120.343 119.600 0.011 0.000 2.374 763 M HA -0.066 4.414 4.480 0.001 0.000 0.264 763 M C 2.260 178.580 176.300 0.033 0.000 1.067 763 M CA 0.755 56.070 55.300 0.025 0.000 1.103 763 M CB -0.592 32.039 32.600 0.052 0.000 1.402 763 M HN 0.299 nan 8.290 nan 0.000 0.444 764 L N -0.169 121.068 121.223 0.022 0.000 2.093 764 L HA -0.154 4.186 4.340 0.001 0.000 0.208 764 L C 2.389 179.257 176.870 -0.004 0.000 1.085 764 L CA 1.196 56.043 54.840 0.011 0.000 0.755 764 L CB -0.316 41.746 42.059 0.005 0.000 0.904 764 L HN 0.250 nan 8.230 nan 0.000 0.435 765 A N -0.754 122.061 122.820 -0.009 0.000 1.898 765 A HA -0.152 4.168 4.320 0.001 0.000 0.216 765 A C 2.187 179.757 177.584 -0.024 0.000 1.181 765 A CA 1.664 53.690 52.037 -0.020 0.000 0.620 765 A CB -0.799 18.188 19.000 -0.023 0.000 0.819 765 A HN 0.274 nan 8.150 nan 0.000 0.442 766 V N 1.112 121.013 119.914 -0.022 0.000 2.255 766 V HA -0.284 3.836 4.120 0.001 0.000 0.247 766 V C 2.306 178.388 176.094 -0.020 0.000 1.051 766 V CA 2.269 64.551 62.300 -0.030 0.000 1.018 766 V CB -0.974 30.829 31.823 -0.033 0.000 0.641 766 V HN 0.556 nan 8.190 nan 0.000 0.445 767 N N -0.091 118.612 118.700 0.004 0.000 2.223 767 N HA -0.121 4.619 4.740 0.001 0.000 0.185 767 N C 1.970 177.469 175.510 -0.018 0.000 1.016 767 N CA 1.208 54.261 53.050 0.005 0.000 0.863 767 N CB -0.346 38.152 38.487 0.019 0.000 0.983 767 N HN 0.464 nan 8.380 nan 0.000 0.429 768 R N 0.936 121.422 120.500 -0.023 0.000 2.075 768 R HA 0.047 4.387 4.340 0.001 0.000 0.232 768 R C 2.000 178.283 176.300 -0.028 0.000 1.126 768 R CA 1.063 57.145 56.100 -0.030 0.000 0.963 768 R CB 0.000 30.281 30.300 -0.032 0.000 0.858 768 R HN 0.231 nan 8.270 nan 0.000 0.435 769 K N 0.622 121.004 120.400 -0.029 0.000 2.097 769 K HA -0.108 4.212 4.320 0.001 0.000 0.206 769 K C 2.101 178.687 176.600 -0.024 0.000 1.049 769 K CA 0.898 57.167 56.287 -0.030 0.000 0.933 769 K CB -0.132 32.345 32.500 -0.038 0.000 0.717 769 K HN 0.178 nan 8.250 nan 0.000 0.442 770 L N 1.063 122.271 121.223 -0.024 0.000 2.027 770 L HA -0.164 4.176 4.340 0.001 0.000 0.206 770 L C 2.153 179.027 176.870 0.006 0.000 1.074 770 L CA 1.326 56.158 54.840 -0.013 0.000 0.745 770 L CB -0.241 41.802 42.059 -0.027 0.000 0.898 770 L HN 0.002 nan 8.230 nan 0.000 0.433 771 V N 0.389 120.302 119.914 -0.002 0.000 2.392 771 V HA -0.285 3.836 4.120 0.001 0.000 0.249 771 V C 2.516 178.607 176.094 -0.005 0.000 1.059 771 V CA 2.056 64.356 62.300 0.000 0.000 1.051 771 V CB -0.505 31.307 31.823 -0.019 0.000 0.658 771 V HN 0.513 nan 8.190 nan 0.000 0.455 772 E N 0.534 120.726 120.200 -0.012 0.000 2.107 772 E HA -0.177 4.174 4.350 0.001 0.000 0.191 772 E C 2.318 178.913 176.600 -0.008 0.000 0.982 772 E CA 1.297 57.689 56.400 -0.014 0.000 0.809 772 E CB -0.277 29.411 29.700 -0.020 0.000 0.756 772 E HN 0.441 nan 8.360 nan 0.000 0.459 773 R N -0.088 120.410 120.500 -0.003 0.000 2.120 773 R HA -0.057 4.284 4.340 0.001 0.000 0.234 773 R C 2.370 178.678 176.300 0.014 0.000 1.123 773 R CA 1.433 57.535 56.100 0.004 0.000 0.975 773 R CB -0.334 29.971 30.300 0.008 0.000 0.866 773 R HN 0.337 nan 8.270 nan 0.000 0.446 774 I N -0.018 120.563 120.570 0.018 0.000 2.286 774 I HA -0.234 3.937 4.170 0.001 0.000 0.245 774 I C 2.732 178.842 176.117 -0.012 0.000 1.104 774 I CA 0.898 62.204 61.300 0.010 0.000 1.397 774 I CB -0.216 37.794 38.000 0.016 0.000 1.072 774 I HN 0.114 nan 8.210 nan 0.000 0.417 775 R N 1.184 121.678 120.500 -0.011 0.000 2.096 775 R HA -0.192 4.148 4.340 0.001 0.000 0.235 775 R C 1.951 178.243 176.300 -0.013 0.000 1.127 775 R CA 1.484 57.575 56.100 -0.015 0.000 0.968 775 R CB -0.105 30.186 30.300 -0.015 0.000 0.861 775 R HN 0.434 nan 8.270 nan 0.000 0.440 776 Q N -0.654 119.141 119.800 -0.009 0.000 2.482 776 Q HA -0.041 4.300 4.340 0.001 0.000 0.209 776 Q C 0.269 176.265 176.000 -0.005 0.000 0.961 776 Q CA 0.939 56.738 55.803 -0.008 0.000 0.945 776 Q CB 0.578 29.312 28.738 -0.007 0.000 1.012 776 Q HN 0.107 nan 8.270 nan 0.000 0.515 777 T N -1.436 113.115 114.554 -0.006 0.000 3.532 777 T HA 0.616 4.967 4.350 0.001 0.000 0.241 777 T C -0.175 174.516 174.700 -0.014 0.000 1.238 777 T CA 0.343 62.441 62.100 -0.003 0.000 1.405 777 T CB 0.271 69.145 68.868 0.010 0.000 0.971 777 T HN 0.199 nan 8.240 nan 0.000 0.640 778 A N 0.801 123.611 122.820 -0.016 0.000 1.547 778 A HA 0.329 4.650 4.320 0.001 0.000 0.206 778 A C 0.985 178.559 177.584 -0.017 0.000 1.773 778 A CA 0.621 52.645 52.037 -0.022 0.000 1.530 778 A CB -0.025 18.953 19.000 -0.036 0.000 1.435 778 A HN 0.438 nan 8.150 nan 0.000 0.420 779 V N 1.014 120.919 119.914 -0.016 0.000 3.523 779 V HA 0.228 4.349 4.120 0.001 0.000 0.255 779 V C 1.012 177.099 176.094 -0.011 0.000 1.226 779 V CA 1.001 63.293 62.300 -0.014 0.000 1.092 779 V CB 0.359 32.173 31.823 -0.015 0.000 0.817 779 V HN 0.441 nan 8.190 nan 0.000 0.458 780 K N 0.000 120.394 120.400 -0.011 0.000 2.780 780 K HA 0.000 4.320 4.320 0.001 0.000 0.191 780 K CA 0.000 56.282 56.287 -0.009 0.000 0.838 780 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 780 K HN 0.000 nan 8.250 nan 0.000 0.543