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 1jz5_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.105 176.300 -0.325 0.000 0.893 13 R CA 0.000 55.977 56.100 -0.204 0.000 0.921 13 R CB 0.000 30.179 30.300 -0.202 0.000 0.687 14 R N 1.213 121.407 120.500 -0.510 0.000 2.664 14 R HA 0.207 4.555 4.340 0.012 0.000 0.281 14 R C -0.514 175.266 176.300 -0.867 0.000 1.383 14 R CA -0.355 55.028 56.100 -1.195 0.000 1.563 14 R CB 0.544 30.220 30.300 -1.039 0.000 1.131 14 R HN 0.499 nan 8.270 nan 0.000 0.599 15 D N 1.001 121.117 120.400 -0.474 0.000 2.263 15 D HA -0.173 4.475 4.640 0.012 0.000 0.208 15 D C 1.291 177.573 176.300 -0.029 0.000 0.971 15 D CA 1.118 54.946 54.000 -0.288 0.000 0.867 15 D CB 0.206 40.657 40.800 -0.581 0.000 0.929 15 D HN 0.638 nan 8.370 nan 0.000 0.492 16 W N 1.131 122.468 121.300 0.060 0.000 3.292 16 W HA 0.204 4.871 4.660 0.012 0.000 0.263 16 W C 0.415 177.042 176.519 0.180 0.000 1.318 16 W CA -0.253 57.228 57.345 0.226 0.000 1.663 16 W CB -0.153 29.481 29.460 0.290 0.000 1.114 16 W HN -0.205 nan 8.180 nan 0.000 0.706 17 E N 1.295 121.387 120.200 -0.180 0.000 3.575 17 E HA 0.051 4.408 4.350 0.012 0.000 0.201 17 E C -0.827 175.644 176.600 -0.215 0.000 0.999 17 E CA -0.220 56.095 56.400 -0.141 0.000 1.315 17 E CB -0.187 29.404 29.700 -0.181 0.000 1.146 17 E HN 0.037 nan 8.360 nan 0.000 0.453 18 N N 1.047 119.657 118.700 -0.150 0.000 2.629 18 N HA 0.122 4.870 4.740 0.012 0.000 0.277 18 N C -2.433 172.956 175.510 -0.202 0.000 1.188 18 N CA -1.810 51.111 53.050 -0.216 0.000 0.835 18 N CB 1.495 39.871 38.487 -0.186 0.000 1.420 18 N HN -0.164 nan 8.380 nan 0.000 0.542 19 P HA 0.096 nan 4.420 nan 0.000 0.234 19 P C 1.012 178.086 177.300 -0.377 0.000 1.167 19 P CA 0.540 63.340 63.100 -0.500 0.000 0.763 19 P CB 0.112 31.066 31.700 -1.245 0.000 0.835 20 G N -0.480 108.143 108.800 -0.296 0.000 2.880 20 G HA2 0.100 4.067 3.960 0.012 0.000 0.209 20 G HA3 0.100 4.067 3.960 0.012 0.000 0.209 20 G C 0.226 175.055 174.900 -0.118 0.000 1.157 20 G CA 0.146 45.118 45.100 -0.212 0.000 0.779 20 G HN 0.197 nan 8.290 nan 0.000 0.539 21 V N 1.755 121.623 119.914 -0.077 0.000 2.305 21 V HA 0.262 4.389 4.120 0.012 0.000 0.275 21 V C 0.836 177.000 176.094 0.117 0.000 1.020 21 V CA 0.051 62.363 62.300 0.020 0.000 0.811 21 V CB 1.078 32.911 31.823 0.018 0.000 1.031 21 V HN 0.317 nan 8.190 nan 0.000 0.439 22 T N 0.544 115.145 114.554 0.079 0.000 3.023 22 T HA 0.346 4.703 4.350 0.012 0.000 0.253 22 T C 0.298 175.015 174.700 0.027 0.000 1.038 22 T CA 0.095 62.235 62.100 0.066 0.000 0.962 22 T CB 0.288 69.157 68.868 0.001 0.000 1.018 22 T HN 0.674 nan 8.240 nan 0.000 0.521 23 Q N 0.305 120.170 119.800 0.109 0.000 2.702 23 Q HA 0.709 5.056 4.340 0.012 0.000 0.289 23 Q C -2.207 173.920 176.000 0.211 0.000 0.923 23 Q CA -1.108 54.750 55.803 0.091 0.000 0.787 23 Q CB 1.021 29.748 28.738 -0.018 0.000 1.476 23 Q HN 0.222 nan 8.270 nan 0.000 0.402 24 L N 1.423 122.791 121.223 0.241 0.000 2.505 24 L HA 0.588 4.935 4.340 0.012 0.000 0.266 24 L C -0.730 176.254 176.870 0.190 0.000 0.954 24 L CA -0.955 54.034 54.840 0.249 0.000 0.852 24 L CB 2.014 44.330 42.059 0.429 0.000 1.282 24 L HN 0.832 nan 8.230 nan 0.000 0.403 25 N N 0.796 119.580 118.700 0.139 0.000 2.741 25 N HA -0.213 4.534 4.740 0.012 0.000 0.251 25 N C 0.148 175.741 175.510 0.138 0.000 1.112 25 N CA 0.855 53.977 53.050 0.120 0.000 0.750 25 N CB -0.846 37.670 38.487 0.048 0.000 1.119 25 N HN 0.675 nan 8.380 nan 0.000 0.561 26 R N 0.919 121.431 120.500 0.020 0.000 2.441 26 R HA 0.386 4.734 4.340 0.012 0.000 0.284 26 R C 0.484 176.646 176.300 -0.229 0.000 1.070 26 R CA -0.368 55.532 56.100 -0.334 0.000 1.047 26 R CB 0.543 30.620 30.300 -0.372 0.000 1.016 26 R HN 0.133 nan 8.270 nan 0.000 0.477 27 L N 3.062 124.110 121.223 -0.291 0.000 2.453 27 L HA 0.335 4.682 4.340 0.012 0.000 0.261 27 L C 0.697 177.512 176.870 -0.091 0.000 1.179 27 L CA -0.702 54.066 54.840 -0.121 0.000 0.813 27 L CB 0.838 42.856 42.059 -0.067 0.000 1.110 27 L HN 0.782 nan 8.230 nan 0.000 0.466 28 A N 1.340 124.152 122.820 -0.013 0.000 2.520 28 A HA 0.443 4.770 4.320 0.012 0.000 0.235 28 A C 0.369 177.961 177.584 0.014 0.000 1.065 28 A CA 0.078 52.117 52.037 0.004 0.000 0.764 28 A CB 0.112 19.142 19.000 0.050 0.000 1.002 28 A HN 0.810 nan 8.150 nan 0.000 0.502 29 A N 1.420 124.196 122.820 -0.073 0.000 2.332 29 A HA 0.672 4.999 4.320 0.012 0.000 0.258 29 A C 0.137 177.622 177.584 -0.165 0.000 1.087 29 A CA 0.531 52.440 52.037 -0.212 0.000 0.802 29 A CB -0.069 18.809 19.000 -0.202 0.000 1.042 29 A HN 1.905 nan 8.150 nan 0.000 0.489 30 H N -2.303 116.619 119.070 -0.245 0.000 2.917 30 H HA 0.645 5.208 4.556 0.012 0.000 0.299 30 H C -3.399 171.638 175.328 -0.485 0.000 1.418 30 H CA -1.789 54.050 56.048 -0.348 0.000 1.138 30 H CB 0.146 29.615 29.762 -0.489 0.000 1.830 30 H HN 0.381 nan 8.280 nan 0.000 0.514 31 P HA 0.261 nan 4.420 nan 0.000 0.276 31 P C -2.622 174.478 177.300 -0.333 0.000 1.252 31 P CA -1.683 61.199 63.100 -0.363 0.000 0.802 31 P CB -0.128 31.290 31.700 -0.471 0.000 1.035 32 P HA 0.025 nan 4.420 nan 0.000 0.260 32 P C -0.765 176.718 177.300 0.304 0.000 1.185 32 P CA 1.222 64.345 63.100 0.039 0.000 0.763 32 P CB -0.205 31.562 31.700 0.111 0.000 0.776 33 F N 1.509 121.564 119.950 0.175 0.000 2.575 33 F HA 0.624 5.158 4.527 0.012 0.000 0.330 33 F C 1.049 176.799 175.800 -0.083 0.000 1.056 33 F CA -1.044 57.007 58.000 0.086 0.000 0.964 33 F CB 2.092 41.102 39.000 0.016 0.000 1.258 33 F HN 0.197 nan 8.300 nan 0.000 0.484 34 A N 0.121 122.898 122.820 -0.072 0.000 2.664 34 A HA 0.236 4.564 4.320 0.012 0.000 0.222 34 A C 0.571 177.879 177.584 -0.460 0.000 1.320 34 A CA 0.445 52.204 52.037 -0.464 0.000 1.029 34 A CB -0.136 18.139 19.000 -1.209 0.000 1.318 34 A HN 0.759 nan 8.150 nan 0.000 0.589 35 S N 0.533 116.071 115.700 -0.271 0.000 3.524 35 S HA -0.149 4.328 4.470 0.012 0.000 0.377 35 S C 0.004 174.542 174.600 -0.104 0.000 0.949 35 S CA 0.449 58.544 58.200 -0.176 0.000 1.264 35 S CB -1.593 61.500 63.200 -0.178 0.000 0.918 35 S HN 0.463 nan 8.310 nan 0.000 0.517 36 W N 1.894 123.175 121.300 -0.031 0.000 2.158 36 W HA 0.238 4.905 4.660 0.012 0.000 0.339 36 W C 1.413 177.911 176.519 -0.036 0.000 1.294 36 W CA -0.554 56.778 57.345 -0.022 0.000 1.231 36 W CB 0.248 29.695 29.460 -0.021 0.000 1.143 36 W HN 0.363 nan 8.180 nan 0.000 0.571 37 R N 1.841 122.469 120.500 0.215 0.000 2.546 37 R HA 0.082 4.429 4.340 0.012 0.000 0.320 37 R C -0.042 176.312 176.300 0.090 0.000 1.021 37 R CA -0.108 56.057 56.100 0.110 0.000 1.088 37 R CB -0.062 30.271 30.300 0.056 0.000 1.278 37 R HN 0.366 nan 8.270 nan 0.000 0.557 38 N N 0.012 118.777 118.700 0.108 0.000 2.397 38 N HA 0.111 4.858 4.740 0.012 0.000 0.291 38 N C -0.105 175.373 175.510 -0.054 0.000 1.065 38 N CA -0.071 52.993 53.050 0.023 0.000 0.884 38 N CB 1.974 40.475 38.487 0.023 0.000 1.551 38 N HN -0.266 nan 8.380 nan 0.000 0.487 39 S N 2.262 117.908 115.700 -0.089 0.000 2.399 39 S HA -0.153 4.324 4.470 0.012 0.000 0.231 39 S C 1.372 175.796 174.600 -0.293 0.000 1.022 39 S CA 1.103 59.203 58.200 -0.167 0.000 0.983 39 S CB -0.007 63.127 63.200 -0.109 0.000 0.803 39 S HN 0.766 nan 8.310 nan 0.000 0.480 40 E N 1.738 121.786 120.200 -0.253 0.000 2.106 40 E HA -0.140 4.218 4.350 0.012 0.000 0.192 40 E C 1.844 178.227 176.600 -0.362 0.000 0.984 40 E CA 1.127 57.340 56.400 -0.311 0.000 0.806 40 E CB -0.155 29.423 29.700 -0.203 0.000 0.750 40 E HN 0.279 nan 8.360 nan 0.000 0.458 41 E N 0.248 120.247 120.200 -0.335 0.000 2.077 41 E HA -0.135 4.222 4.350 0.012 0.000 0.193 41 E C 2.005 178.033 176.600 -0.954 0.000 0.989 41 E CA 1.165 57.327 56.400 -0.397 0.000 0.800 41 E CB -0.541 29.061 29.700 -0.165 0.000 0.746 41 E HN 0.394 nan 8.360 nan 0.000 0.452 42 A N 1.535 123.550 122.820 -1.341 0.000 1.898 42 A HA -0.181 4.146 4.320 0.012 0.000 0.216 42 A C 2.243 179.225 177.584 -1.003 0.000 1.181 42 A CA 1.619 52.512 52.037 -1.907 0.000 0.620 42 A CB -0.493 17.941 19.000 -0.944 0.000 0.819 42 A HN 0.136 nan 8.150 nan 0.000 0.442 43 R N -0.166 119.931 120.500 -0.672 0.000 2.081 43 R HA -0.140 4.207 4.340 0.012 0.000 0.235 43 R C 2.074 178.117 176.300 -0.427 0.000 1.131 43 R CA 2.125 57.892 56.100 -0.554 0.000 0.960 43 R CB -0.498 29.372 30.300 -0.718 0.000 0.856 43 R HN 0.641 nan 8.270 nan 0.000 0.436 44 T N -2.566 111.751 114.554 -0.395 0.000 3.118 44 T HA -0.006 4.352 4.350 0.012 0.000 0.260 44 T C 0.459 175.069 174.700 -0.150 0.000 1.139 44 T CA 0.720 62.678 62.100 -0.235 0.000 1.085 44 T CB -0.003 68.753 68.868 -0.187 0.000 0.934 44 T HN 0.375 nan 8.240 nan 0.000 0.518 45 D N 0.488 120.755 120.400 -0.222 0.000 3.041 45 D HA -0.155 4.492 4.640 0.012 0.000 0.220 45 D C 0.145 176.552 176.300 0.178 0.000 1.157 45 D CA 0.445 54.459 54.000 0.023 0.000 0.876 45 D CB -1.170 39.692 40.800 0.103 0.000 1.107 45 D HN 0.575 nan 8.370 nan 0.000 0.422 46 R N 0.007 120.570 120.500 0.105 0.000 2.649 46 R HA 0.459 4.806 4.340 0.012 0.000 0.270 46 R C -2.096 174.462 176.300 0.430 0.000 1.105 46 R CA -1.171 55.049 56.100 0.201 0.000 1.193 46 R CB 0.105 30.465 30.300 0.099 0.000 1.120 46 R HN 0.068 nan 8.270 nan 0.000 0.561 47 P HA -0.019 nan 4.420 nan 0.000 0.269 47 P C -0.866 176.608 177.300 0.289 0.000 1.215 47 P CA 0.080 63.328 63.100 0.247 0.000 0.780 47 P CB 0.781 32.571 31.700 0.149 0.000 0.898 48 S N 1.109 116.849 115.700 0.068 0.000 2.449 48 S HA 0.127 4.604 4.470 0.012 0.000 0.310 48 S C 0.895 175.502 174.600 0.012 0.000 1.096 48 S CA -0.518 57.632 58.200 -0.082 0.000 1.095 48 S CB 0.424 63.240 63.200 -0.640 0.000 1.007 48 S HN 0.237 nan 8.310 nan 0.000 0.474 49 Q N 2.599 122.448 119.800 0.082 0.000 2.364 49 Q HA -0.048 4.299 4.340 0.012 0.000 0.207 49 Q C 0.792 176.914 176.000 0.203 0.000 0.970 49 Q CA 1.187 57.073 55.803 0.139 0.000 0.888 49 Q CB -0.003 28.821 28.738 0.142 0.000 0.951 49 Q HN 0.705 nan 8.270 nan 0.000 0.469 50 Q N -0.475 119.359 119.800 0.056 0.000 2.360 50 Q HA 0.106 4.453 4.340 0.012 0.000 0.202 50 Q C -0.286 175.756 176.000 0.070 0.000 0.915 50 Q CA 0.132 55.917 55.803 -0.031 0.000 0.943 50 Q CB 0.409 29.045 28.738 -0.171 0.000 1.064 50 Q HN 0.016 nan 8.270 nan 0.000 0.511 51 L N 0.849 122.130 121.223 0.098 0.000 2.345 51 L HA 0.455 4.802 4.340 0.012 0.000 0.274 51 L C -1.120 175.842 176.870 0.153 0.000 0.999 51 L CA -0.427 54.474 54.840 0.101 0.000 0.849 51 L CB 0.983 43.009 42.059 -0.055 0.000 1.220 51 L HN -0.094 nan 8.230 nan 0.000 0.422 52 R N 2.138 122.762 120.500 0.207 0.000 2.668 52 R HA 0.655 5.003 4.340 0.012 0.000 0.279 52 R C -0.527 175.801 176.300 0.047 0.000 0.976 52 R CA -0.747 55.416 56.100 0.106 0.000 0.978 52 R CB 1.937 32.261 30.300 0.039 0.000 1.133 52 R HN 0.636 nan 8.270 nan 0.000 0.484 53 S N 1.426 117.142 115.700 0.028 0.000 2.508 53 S HA 0.275 4.752 4.470 0.012 0.000 0.284 53 S C 0.519 175.120 174.600 0.002 0.000 1.192 53 S CA -0.673 57.535 58.200 0.013 0.000 1.070 53 S CB 0.534 63.752 63.200 0.030 0.000 1.004 53 S HN 0.559 nan 8.310 nan 0.000 0.493 54 L N 3.616 124.835 121.223 -0.008 0.000 2.700 54 L HA 0.279 4.626 4.340 0.012 0.000 0.234 54 L C 0.191 177.191 176.870 0.216 0.000 1.156 54 L CA -0.294 54.552 54.840 0.010 0.000 0.946 54 L CB -0.270 41.721 42.059 -0.113 0.000 1.216 54 L HN 0.551 nan 8.230 nan 0.000 0.493 55 N N 1.146 119.934 118.700 0.147 0.000 2.479 55 N HA 0.447 5.194 4.740 0.012 0.000 0.257 55 N C 0.604 176.253 175.510 0.230 0.000 1.232 55 N CA 0.940 54.094 53.050 0.172 0.000 0.920 55 N CB 1.374 39.895 38.487 0.057 0.000 1.105 55 N HN 0.290 nan 8.380 nan 0.000 0.444 56 G N 0.500 109.463 108.800 0.272 0.000 2.347 56 G HA2 -0.050 3.917 3.960 0.012 0.000 0.224 56 G HA3 -0.050 3.917 3.960 0.012 0.000 0.224 56 G C -1.567 173.561 174.900 0.380 0.000 1.318 56 G CA -0.778 44.472 45.100 0.249 0.000 1.016 56 G HN 0.455 nan 8.290 nan 0.000 0.469 57 E N 0.042 120.431 120.200 0.315 0.000 2.229 57 E HA 0.475 4.832 4.350 0.012 0.000 0.283 57 E C -0.969 175.894 176.600 0.438 0.000 1.030 57 E CA -0.179 56.416 56.400 0.326 0.000 0.836 57 E CB 1.077 30.882 29.700 0.176 0.000 1.068 57 E HN 0.358 nan 8.360 nan 0.000 0.401 58 W N 1.550 122.934 121.300 0.139 0.000 2.958 58 W HA 0.431 5.098 4.660 0.012 0.000 0.339 58 W C 0.061 176.695 176.519 0.192 0.000 1.174 58 W CA -0.761 56.695 57.345 0.185 0.000 1.064 58 W CB 0.737 30.359 29.460 0.270 0.000 1.471 58 W HN 0.173 nan 8.180 nan 0.000 0.599 59 R N 1.400 122.170 120.500 0.450 0.000 2.460 59 R HA 0.596 4.943 4.340 0.012 0.000 0.303 59 R C -1.479 175.055 176.300 0.390 0.000 0.968 59 R CA -0.890 55.411 56.100 0.335 0.000 0.889 59 R CB 1.273 31.721 30.300 0.246 0.000 1.123 59 R HN 0.486 nan 8.270 nan 0.000 0.455 60 F N 0.484 120.467 119.950 0.055 0.000 2.591 60 F HA 0.669 5.204 4.527 0.012 0.000 0.309 60 F C -1.603 174.052 175.800 -0.241 0.000 1.098 60 F CA -0.625 57.282 58.000 -0.155 0.000 0.937 60 F CB 2.035 40.816 39.000 -0.365 0.000 1.250 60 F HN 0.606 nan 8.300 nan 0.000 0.447 61 A N 4.309 126.328 122.820 -1.334 0.000 2.455 61 A HA 0.554 4.881 4.320 0.012 0.000 0.300 61 A C -2.402 174.324 177.584 -1.429 0.000 1.040 61 A CA -0.540 50.839 52.037 -1.096 0.000 0.697 61 A CB 0.724 19.411 19.000 -0.522 0.000 1.265 61 A HN 1.000 nan 8.150 nan 0.000 0.407 62 W N 3.039 123.562 121.300 -1.295 0.000 2.417 62 W HA 0.731 5.398 4.660 0.012 0.000 0.317 62 W C -1.826 174.165 176.519 -0.881 0.000 1.121 62 W CA -0.360 56.399 57.345 -0.977 0.000 1.208 62 W CB 0.878 29.986 29.460 -0.587 0.000 1.253 62 W HN 0.499 nan 8.180 nan 0.000 0.533 63 F N 5.924 125.265 119.950 -1.015 0.000 2.593 63 F HA 0.425 4.959 4.527 0.012 0.000 0.320 63 F C -1.369 173.507 175.800 -1.539 0.000 1.060 63 F CA -2.466 55.000 58.000 -0.890 0.000 0.940 63 F CB 1.688 40.316 39.000 -0.620 0.000 1.268 63 F HN 0.202 nan 8.300 nan 0.000 0.475 64 P HA 0.248 nan 4.420 nan 0.000 0.251 64 P C -0.606 176.552 177.300 -0.237 0.000 1.223 64 P CA 0.568 63.330 63.100 -0.565 0.000 0.796 64 P CB 0.878 32.564 31.700 -0.024 0.000 1.068 65 A N 0.140 122.836 122.820 -0.207 0.000 2.590 65 A HA 0.496 4.823 4.320 0.012 0.000 0.294 65 A C -2.485 174.995 177.584 -0.173 0.000 1.046 65 A CA -0.882 51.092 52.037 -0.106 0.000 0.684 65 A CB 0.381 19.384 19.000 0.003 0.000 1.279 65 A HN -0.310 nan 8.150 nan 0.000 0.415 66 P HA -0.117 nan 4.420 nan 0.000 0.220 66 P C 0.673 177.862 177.300 -0.185 0.000 1.148 66 P CA 1.502 64.452 63.100 -0.251 0.000 0.803 66 P CB 0.212 31.717 31.700 -0.325 0.000 0.782 67 E N -0.071 120.085 120.200 -0.073 0.000 2.409 67 E HA -0.008 4.349 4.350 0.012 0.000 0.198 67 E C 1.866 178.408 176.600 -0.097 0.000 1.024 67 E CA 0.952 57.324 56.400 -0.047 0.000 0.861 67 E CB -0.663 29.050 29.700 0.023 0.000 0.788 67 E HN 0.251 nan 8.360 nan 0.000 0.521 68 A N 0.310 123.043 122.820 -0.145 0.000 2.308 68 A HA 0.143 4.471 4.320 0.012 0.000 0.217 68 A C 0.565 177.938 177.584 -0.352 0.000 1.216 68 A CA -0.247 51.729 52.037 -0.101 0.000 0.864 68 A CB 0.406 19.453 19.000 0.077 0.000 0.902 68 A HN 0.038 nan 8.150 nan 0.000 0.499 69 V N 3.381 122.915 119.914 -0.634 0.000 2.470 69 V HA 0.209 4.337 4.120 0.012 0.000 0.276 69 V C -2.040 173.762 176.094 -0.486 0.000 1.040 69 V CA -1.358 60.333 62.300 -1.016 0.000 1.008 69 V CB 0.582 31.822 31.823 -0.972 0.000 0.990 69 V HN 0.371 nan 8.190 nan 0.000 0.477 70 P HA 0.164 nan 4.420 nan 0.000 0.275 70 P C 0.717 177.972 177.300 -0.075 0.000 1.227 70 P CA -0.340 62.680 63.100 -0.134 0.000 0.781 70 P CB 1.056 32.733 31.700 -0.038 0.000 0.906 71 E N 2.529 122.694 120.200 -0.058 0.000 2.097 71 E HA -0.262 4.095 4.350 0.012 0.000 0.196 71 E C 1.663 178.241 176.600 -0.036 0.000 1.000 71 E CA 2.104 58.471 56.400 -0.055 0.000 0.804 71 E CB -0.361 29.312 29.700 -0.045 0.000 0.740 71 E HN 0.460 nan 8.360 nan 0.000 0.454 72 S N -0.120 115.577 115.700 -0.004 0.000 2.420 72 S HA -0.238 4.239 4.470 0.012 0.000 0.237 72 S C 1.736 176.349 174.600 0.021 0.000 1.023 72 S CA 1.185 59.388 58.200 0.004 0.000 0.991 72 S CB -0.955 62.261 63.200 0.026 0.000 0.792 72 S HN 0.668 nan 8.310 nan 0.000 0.488 73 W N 2.097 123.300 121.300 -0.161 0.000 2.331 73 W HA -0.029 4.638 4.660 0.012 0.000 0.291 73 W C 1.758 178.154 176.519 -0.204 0.000 1.214 73 W CA 1.216 58.458 57.345 -0.172 0.000 1.228 73 W CB -0.466 28.853 29.460 -0.236 0.000 1.135 73 W HN 0.318 nan 8.180 nan 0.000 0.537 74 L N 0.149 121.140 121.223 -0.386 0.000 2.141 74 L HA -0.166 4.181 4.340 0.012 0.000 0.209 74 L C 2.478 179.099 176.870 -0.414 0.000 1.094 74 L CA 1.296 55.740 54.840 -0.661 0.000 0.763 74 L CB -0.671 41.039 42.059 -0.582 0.000 0.908 74 L HN -0.055 nan 8.230 nan 0.000 0.437 75 E N -0.695 119.359 120.200 -0.243 0.000 2.166 75 E HA 0.010 4.367 4.350 0.012 0.000 0.192 75 E C 0.564 177.090 176.600 -0.124 0.000 0.967 75 E CA 0.663 56.976 56.400 -0.146 0.000 0.840 75 E CB 0.452 30.104 29.700 -0.081 0.000 0.795 75 E HN 0.515 nan 8.360 nan 0.000 0.470 76 C N -0.568 118.669 119.300 -0.106 0.000 3.173 76 C HA 0.470 4.937 4.460 0.012 0.000 0.310 76 C C -0.030 174.956 174.990 -0.006 0.000 1.306 76 C CA -1.559 57.424 59.018 -0.058 0.000 1.426 76 C CB 1.610 29.336 27.740 -0.023 0.000 1.800 76 C HN 0.127 nan 8.230 nan 0.000 0.470 77 D N 0.708 121.122 120.400 0.023 0.000 2.472 77 D HA 0.199 4.846 4.640 0.012 0.000 0.237 77 D C -0.487 175.883 176.300 0.118 0.000 1.141 77 D CA 0.427 54.485 54.000 0.096 0.000 0.875 77 D CB 0.671 41.516 40.800 0.074 0.000 1.192 77 D HN 0.600 nan 8.370 nan 0.000 0.450 78 L N 5.749 127.075 121.223 0.173 0.000 2.290 78 L HA 0.180 4.527 4.340 0.012 0.000 0.284 78 L C -1.264 175.655 176.870 0.082 0.000 1.078 78 L CA -1.519 53.398 54.840 0.129 0.000 0.815 78 L CB 1.186 43.325 42.059 0.133 0.000 1.162 78 L HN 0.342 nan 8.230 nan 0.000 0.435 79 P HA -0.242 nan 4.420 nan 0.000 0.216 79 P C 0.989 178.309 177.300 0.033 0.000 1.154 79 P CA 1.234 64.359 63.100 0.041 0.000 0.865 79 P CB 0.087 31.806 31.700 0.032 0.000 0.789 80 E N -0.545 119.668 120.200 0.022 0.000 2.502 80 E HA 0.101 4.458 4.350 0.012 0.000 0.194 80 E C 0.558 177.158 176.600 0.001 0.000 1.062 80 E CA -0.054 56.349 56.400 0.004 0.000 0.867 80 E CB -0.487 29.199 29.700 -0.022 0.000 0.888 80 E HN 0.048 nan 8.360 nan 0.000 0.510 81 A N 1.213 124.045 122.820 0.020 0.000 2.386 81 A HA 0.207 4.534 4.320 0.012 0.000 0.246 81 A C -0.192 177.436 177.584 0.073 0.000 1.089 81 A CA -0.200 51.848 52.037 0.018 0.000 0.790 81 A CB 0.346 19.383 19.000 0.061 0.000 1.042 81 A HN 0.143 nan 8.150 nan 0.000 0.497 82 D N -0.432 120.042 120.400 0.123 0.000 2.340 82 D HA 0.533 5.180 4.640 0.012 0.000 0.243 82 D C -0.663 175.746 176.300 0.182 0.000 0.988 82 D CA -0.021 54.077 54.000 0.163 0.000 0.959 82 D CB 1.354 42.299 40.800 0.243 0.000 1.226 82 D HN 0.366 nan 8.370 nan 0.000 0.509 83 T N 0.469 115.111 114.554 0.147 0.000 2.767 83 T HA 0.532 4.889 4.350 0.012 0.000 0.284 83 T C 0.046 174.828 174.700 0.137 0.000 0.973 83 T CA -0.541 61.654 62.100 0.158 0.000 0.996 83 T CB 0.789 69.728 68.868 0.118 0.000 0.927 83 T HN 0.276 nan 8.240 nan 0.000 0.456 84 V N 1.287 121.310 119.914 0.182 0.000 3.141 84 V HA 0.820 4.947 4.120 0.012 0.000 0.312 84 V C -0.472 175.731 176.094 0.181 0.000 1.157 84 V CA -1.013 61.349 62.300 0.105 0.000 1.041 84 V CB 1.692 33.570 31.823 0.092 0.000 1.071 84 V HN 0.514 nan 8.190 nan 0.000 0.441 85 V N 1.685 121.683 119.914 0.139 0.000 2.546 85 V HA 0.575 4.702 4.120 0.012 0.000 0.284 85 V C -0.007 176.150 176.094 0.106 0.000 1.050 85 V CA -0.163 62.218 62.300 0.135 0.000 0.981 85 V CB 1.369 33.240 31.823 0.080 0.000 0.990 85 V HN 0.753 nan 8.190 nan 0.000 0.474 86 V N 6.816 126.710 119.914 -0.033 0.000 2.656 86 V HA 0.479 4.606 4.120 0.012 0.000 0.307 86 V C -2.305 173.665 176.094 -0.207 0.000 1.051 86 V CA -1.762 60.371 62.300 -0.280 0.000 0.893 86 V CB 2.630 33.872 31.823 -0.968 0.000 0.999 86 V HN 0.761 nan 8.190 nan 0.000 0.426 87 P HA 0.428 nan 4.420 nan 0.000 0.277 87 P C -0.861 176.369 177.300 -0.118 0.000 1.240 87 P CA -0.090 62.885 63.100 -0.210 0.000 0.798 87 P CB 1.330 32.923 31.700 -0.178 0.000 0.979 88 S N 0.373 116.019 115.700 -0.090 0.000 2.595 88 S HA 0.398 4.875 4.470 0.012 0.000 0.270 88 S C -1.293 173.248 174.600 -0.097 0.000 1.145 88 S CA -1.026 57.105 58.200 -0.115 0.000 0.825 88 S CB 0.469 63.565 63.200 -0.174 0.000 1.107 88 S HN 0.348 nan 8.310 nan 0.000 0.461 89 N N 1.103 119.675 118.700 -0.214 0.000 2.424 89 N HA 0.412 5.159 4.740 0.012 0.000 0.271 89 N C 0.552 175.892 175.510 -0.283 0.000 0.985 89 N CA -0.826 52.074 53.050 -0.250 0.000 0.921 89 N CB 0.699 39.009 38.487 -0.295 0.000 1.149 89 N HN 0.846 nan 8.380 nan 0.000 0.492 90 W N 2.784 123.952 121.300 -0.221 0.000 2.392 90 W HA -0.101 4.566 4.660 0.012 0.000 0.279 90 W C 1.099 177.580 176.519 -0.063 0.000 1.225 90 W CA 0.781 57.981 57.345 -0.241 0.000 1.233 90 W CB -0.363 28.928 29.460 -0.281 0.000 1.122 90 W HN 0.503 nan 8.180 nan 0.000 0.561 91 Q N 0.496 120.249 119.800 -0.078 0.000 2.181 91 Q HA -0.167 4.180 4.340 0.012 0.000 0.205 91 Q C 2.162 178.110 176.000 -0.086 0.000 0.980 91 Q CA 2.153 57.930 55.803 -0.043 0.000 0.862 91 Q CB -0.582 28.007 28.738 -0.249 0.000 0.905 91 Q HN 0.277 nan 8.270 nan 0.000 0.429 92 M N -0.962 118.540 119.600 -0.162 0.000 2.460 92 M HA -0.081 4.406 4.480 0.012 0.000 0.263 92 M C 0.668 177.014 176.300 0.077 0.000 1.071 92 M CA 1.444 56.674 55.300 -0.117 0.000 1.096 92 M CB -0.610 31.896 32.600 -0.157 0.000 1.408 92 M HN 0.367 nan 8.290 nan 0.000 0.463 93 H N -0.973 118.123 119.070 0.043 0.000 2.549 93 H HA 0.303 4.867 4.556 0.012 0.000 0.279 93 H C 1.331 176.549 175.328 -0.183 0.000 1.018 93 H CA 0.079 56.126 56.048 -0.001 0.000 1.175 93 H CB 0.388 30.254 29.762 0.173 0.000 1.485 93 H HN 0.556 nan 8.280 nan 0.000 0.543 94 G N 0.590 109.389 108.800 -0.002 0.000 2.176 94 G HA2 -0.400 3.568 3.960 0.012 0.000 0.253 94 G HA3 -0.400 3.568 3.960 0.012 0.000 0.253 94 G C 0.566 175.339 174.900 -0.212 0.000 0.979 94 G CA 0.455 45.480 45.100 -0.126 0.000 0.641 94 G HN 0.480 nan 8.290 nan 0.000 0.530 95 Y N 1.894 122.226 120.300 0.054 0.000 2.256 95 Y HA 0.177 4.734 4.550 0.012 0.000 0.288 95 Y C 1.764 177.482 175.900 -0.304 0.000 1.155 95 Y CA 1.860 59.898 58.100 -0.103 0.000 1.203 95 Y CB 0.013 38.478 38.460 0.008 0.000 0.980 95 Y HN 0.716 nan 8.280 nan 0.000 0.530 96 D N -2.405 118.062 120.400 0.112 0.000 2.713 96 D HA 0.480 5.127 4.640 0.012 0.000 0.306 96 D C -1.310 175.073 176.300 0.138 0.000 1.299 96 D CA -0.698 53.364 54.000 0.104 0.000 0.823 96 D CB 0.659 41.628 40.800 0.282 0.000 1.353 96 D HN -0.039 nan 8.370 nan 0.000 0.447 97 A N 0.035 122.945 122.820 0.150 0.000 2.309 97 A HA 0.698 5.025 4.320 0.012 0.000 0.298 97 A C -2.357 175.257 177.584 0.049 0.000 1.165 97 A CA -1.208 50.892 52.037 0.106 0.000 0.821 97 A CB 0.141 19.270 19.000 0.216 0.000 1.102 97 A HN 0.515 nan 8.150 nan 0.000 0.500 98 P HA 0.410 nan 4.420 nan 0.000 0.278 98 P C -0.824 176.654 177.300 0.297 0.000 1.238 98 P CA 0.095 63.158 63.100 -0.062 0.000 0.794 98 P CB 0.741 32.136 31.700 -0.509 0.000 0.955 99 I N 2.672 123.492 120.570 0.417 0.000 2.441 99 I HA 0.265 4.442 4.170 0.012 0.000 0.295 99 I C -0.373 175.927 176.117 0.306 0.000 0.994 99 I CA -0.965 60.577 61.300 0.404 0.000 1.144 99 I CB 1.355 39.527 38.000 0.286 0.000 1.314 99 I HN 0.302 nan 8.210 nan 0.000 0.445 100 Y N 5.956 126.190 120.300 -0.109 0.000 2.478 100 Y HA 0.496 5.053 4.550 0.012 0.000 0.329 100 Y C -0.378 175.354 175.900 -0.280 0.000 0.967 100 Y CA -0.552 57.190 58.100 -0.598 0.000 1.255 100 Y CB 1.136 38.722 38.460 -1.458 0.000 1.103 100 Y HN 0.533 nan 8.280 nan 0.000 0.497 101 T N 5.002 119.003 114.554 -0.922 0.000 2.876 101 T HA 0.267 4.624 4.350 0.012 0.000 0.289 101 T C 0.187 174.426 174.700 -0.768 0.000 1.014 101 T CA -0.555 61.060 62.100 -0.807 0.000 0.986 101 T CB 1.130 69.771 68.868 -0.378 0.000 1.021 101 T HN 0.779 nan 8.240 nan 0.000 0.458 102 N N 2.879 121.193 118.700 -0.643 0.000 2.272 102 N HA 0.056 4.803 4.740 0.012 0.000 0.195 102 N C 1.534 176.818 175.510 -0.377 0.000 1.048 102 N CA 1.575 54.414 53.050 -0.352 0.000 0.912 102 N CB -0.627 37.715 38.487 -0.241 0.000 1.096 102 N HN 0.375 nan 8.380 nan 0.000 0.471 103 V N 0.206 119.819 119.914 -0.502 0.000 2.492 103 V HA 0.119 4.246 4.120 0.012 0.000 0.241 103 V C 0.350 176.145 176.094 -0.498 0.000 1.041 103 V CA 0.948 62.860 62.300 -0.647 0.000 1.057 103 V CB -0.720 30.618 31.823 -0.809 0.000 0.711 103 V HN 0.350 nan 8.190 nan 0.000 0.468 104 T N 1.154 115.483 114.554 -0.376 0.000 2.867 104 T HA 0.133 4.490 4.350 0.012 0.000 0.297 104 T C -0.339 174.238 174.700 -0.206 0.000 0.989 104 T CA 0.239 62.193 62.100 -0.245 0.000 1.159 104 T CB -0.273 68.481 68.868 -0.189 0.000 0.928 104 T HN 0.180 nan 8.240 nan 0.000 0.538 105 Y N 4.698 124.904 120.300 -0.158 0.000 2.578 105 Y HA 0.099 4.656 4.550 0.012 0.000 0.339 105 Y C -0.768 175.004 175.900 -0.213 0.000 1.231 105 Y CA -1.664 56.333 58.100 -0.172 0.000 1.461 105 Y CB 0.450 38.806 38.460 -0.174 0.000 1.323 105 Y HN 0.522 nan 8.280 nan 0.000 0.590 106 P HA -0.031 nan 4.420 nan 0.000 0.242 106 P C -0.320 176.748 177.300 -0.386 0.000 1.197 106 P CA 1.155 64.137 63.100 -0.196 0.000 0.765 106 P CB -0.044 31.562 31.700 -0.156 0.000 0.936 107 I N -5.459 114.865 120.570 -0.411 0.000 3.002 107 I HA 0.478 4.655 4.170 0.012 0.000 0.310 107 I C -0.536 175.447 176.117 -0.223 0.000 1.087 107 I CA -1.262 59.770 61.300 -0.447 0.000 1.017 107 I CB 1.639 39.245 38.000 -0.656 0.000 1.226 107 I HN -0.478 nan 8.210 nan 0.000 0.443 108 T N 2.864 117.329 114.554 -0.148 0.000 2.908 108 T HA 0.125 4.482 4.350 0.012 0.000 0.301 108 T C 0.221 174.911 174.700 -0.017 0.000 1.019 108 T CA -0.150 61.916 62.100 -0.056 0.000 1.152 108 T CB 0.376 69.233 68.868 -0.019 0.000 0.966 108 T HN 0.370 nan 8.240 nan 0.000 0.540 109 V N 5.420 125.341 119.914 0.012 0.000 2.381 109 V HA 0.214 4.342 4.120 0.012 0.000 0.257 109 V C 0.732 176.880 176.094 0.089 0.000 1.057 109 V CA -0.137 62.196 62.300 0.055 0.000 1.013 109 V CB -0.328 31.519 31.823 0.040 0.000 1.069 109 V HN 0.867 nan 8.190 nan 0.000 0.484 110 N N 5.791 124.596 118.700 0.176 0.000 2.725 110 N HA 0.215 4.963 4.740 0.012 0.000 0.225 110 N C -2.965 172.616 175.510 0.119 0.000 1.465 110 N CA -1.108 52.029 53.050 0.145 0.000 0.830 110 N CB 1.397 40.015 38.487 0.218 0.000 1.460 110 N HN 0.277 nan 8.380 nan 0.000 0.538 111 P HA 0.188 nan 4.420 nan 0.000 0.265 111 P C -2.264 174.812 177.300 -0.374 0.000 1.193 111 P CA -0.615 62.057 63.100 -0.714 0.000 0.765 111 P CB 0.595 31.793 31.700 -0.836 0.000 0.823 112 P HA 0.258 nan 4.420 nan 0.000 0.266 112 P C -0.361 176.814 177.300 -0.208 0.000 1.561 112 P CA -0.351 62.523 63.100 -0.376 0.000 1.089 112 P CB 0.097 31.575 31.700 -0.369 0.000 1.534 113 F N 1.011 121.058 119.950 0.162 0.000 2.380 113 F HA 0.296 4.830 4.527 0.012 0.000 0.325 113 F C 1.413 177.373 175.800 0.268 0.000 1.136 113 F CA -0.681 57.425 58.000 0.178 0.000 1.171 113 F CB 0.793 39.850 39.000 0.095 0.000 1.230 113 F HN -0.212 nan 8.300 nan 0.000 0.554 114 V N -0.952 119.235 119.914 0.455 0.000 3.113 114 V HA 0.691 4.818 4.120 0.012 0.000 0.316 114 V C -2.692 173.555 176.094 0.254 0.000 1.125 114 V CA -2.757 59.730 62.300 0.312 0.000 1.026 114 V CB 1.270 33.329 31.823 0.393 0.000 1.080 114 V HN 0.490 nan 8.190 nan 0.000 0.444 115 P HA 0.176 nan 4.420 nan 0.000 0.269 115 P C 1.024 178.454 177.300 0.217 0.000 1.215 115 P CA 0.574 63.760 63.100 0.143 0.000 0.780 115 P CB 0.542 32.300 31.700 0.096 0.000 0.898 116 T N -1.696 112.956 114.554 0.164 0.000 2.867 116 T HA -0.096 4.261 4.350 0.012 0.000 0.268 116 T C 0.360 175.168 174.700 0.180 0.000 1.057 116 T CA 0.779 62.984 62.100 0.174 0.000 1.136 116 T CB -0.607 68.331 68.868 0.115 0.000 0.874 116 T HN 0.413 nan 8.240 nan 0.000 0.466 117 E N 2.541 122.847 120.200 0.176 0.000 2.052 117 E HA 0.416 4.773 4.350 0.012 0.000 0.283 117 E C -0.707 176.052 176.600 0.265 0.000 1.071 117 E CA -0.420 56.090 56.400 0.183 0.000 0.851 117 E CB 0.401 30.211 29.700 0.184 0.000 1.066 117 E HN 0.253 nan 8.360 nan 0.000 0.396 118 N N 4.221 123.050 118.700 0.216 0.000 2.576 118 N HA 0.255 5.002 4.740 0.012 0.000 0.269 118 N C -2.865 172.673 175.510 0.046 0.000 1.058 118 N CA -2.676 50.537 53.050 0.273 0.000 0.860 118 N CB 1.128 39.801 38.487 0.310 0.000 1.249 118 N HN 0.056 nan 8.380 nan 0.000 0.525 119 P HA 0.020 nan 4.420 nan 0.000 0.260 119 P C -0.821 176.392 177.300 -0.145 0.000 1.172 119 P CA 0.494 63.521 63.100 -0.121 0.000 0.760 119 P CB 0.358 32.290 31.700 0.385 0.000 0.773 120 T N 3.020 117.257 114.554 -0.529 0.000 2.809 120 T HA 0.529 4.886 4.350 0.012 0.000 0.284 120 T C 0.313 174.576 174.700 -0.727 0.000 0.992 120 T CA -0.534 61.307 62.100 -0.432 0.000 0.957 120 T CB 1.371 69.990 68.868 -0.414 0.000 0.942 120 T HN 0.332 nan 8.240 nan 0.000 0.439 121 G N 1.377 109.785 108.800 -0.654 0.000 2.377 121 G HA2 0.444 4.411 3.960 0.012 0.000 0.316 121 G HA3 0.444 4.411 3.960 0.012 0.000 0.316 121 G C -0.060 174.639 174.900 -0.335 0.000 1.115 121 G CA -0.350 44.267 45.100 -0.805 0.000 0.952 121 G HN 0.869 nan 8.290 nan 0.000 0.441 122 C N 3.450 122.318 119.300 -0.721 0.000 2.256 122 C HA 0.432 4.899 4.460 0.012 0.000 0.333 122 C C -0.444 174.528 174.990 -0.030 0.000 1.183 122 C CA -0.844 57.871 59.018 -0.505 0.000 1.692 122 C CB -1.854 25.134 27.740 -1.254 0.000 2.274 122 C HN 0.610 nan 8.230 nan 0.000 0.509 123 Y N 1.925 122.487 120.300 0.437 0.000 2.420 123 Y HA 0.643 5.200 4.550 0.012 0.000 0.334 123 Y C 0.734 177.060 175.900 0.711 0.000 1.094 123 Y CA -0.378 58.083 58.100 0.603 0.000 1.126 123 Y CB 1.499 40.311 38.460 0.587 0.000 1.217 123 Y HN 0.670 nan 8.280 nan 0.000 0.462 124 S N 2.085 118.264 115.700 0.799 0.000 2.579 124 S HA 0.861 5.338 4.470 0.012 0.000 0.272 124 S C -1.887 172.798 174.600 0.142 0.000 1.141 124 S CA -0.782 57.680 58.200 0.436 0.000 0.843 124 S CB 2.295 65.652 63.200 0.261 0.000 1.122 124 S HN 0.632 nan 8.310 nan 0.000 0.468 125 L N 0.599 121.729 121.223 -0.156 0.000 2.549 125 L HA 0.679 5.026 4.340 0.012 0.000 0.259 125 L C -1.282 175.535 176.870 -0.088 0.000 0.934 125 L CA 0.122 54.714 54.840 -0.414 0.000 0.865 125 L CB 2.209 43.491 42.059 -1.296 0.000 1.352 125 L HN 0.918 nan 8.230 nan 0.000 0.410 126 T N 5.552 120.088 114.554 -0.030 0.000 2.758 126 T HA 0.754 5.111 4.350 0.012 0.000 0.285 126 T C -0.786 173.987 174.700 0.121 0.000 0.981 126 T CA -0.024 62.106 62.100 0.049 0.000 0.965 126 T CB 0.210 69.062 68.868 -0.026 0.000 0.927 126 T HN 0.465 nan 8.240 nan 0.000 0.448 127 F N 1.041 120.893 119.950 -0.164 0.000 2.664 127 F HA 0.720 5.254 4.527 0.012 0.000 0.317 127 F C -0.711 175.012 175.800 -0.129 0.000 1.108 127 F CA -1.518 56.387 58.000 -0.159 0.000 0.957 127 F CB 1.417 40.300 39.000 -0.195 0.000 1.365 127 F HN 0.270 nan 8.300 nan 0.000 0.475 128 N N -0.145 118.410 118.700 -0.241 0.000 2.466 128 N HA 0.715 5.462 4.740 0.012 0.000 0.294 128 N C -1.796 173.527 175.510 -0.310 0.000 1.129 128 N CA -0.648 52.205 53.050 -0.328 0.000 0.931 128 N CB 2.156 40.536 38.487 -0.179 0.000 1.193 128 N HN 0.545 nan 8.380 nan 0.000 0.500 129 V N 1.636 121.350 119.914 -0.333 0.000 2.577 129 V HA 0.263 4.390 4.120 0.012 0.000 0.303 129 V C -0.982 174.966 176.094 -0.245 0.000 1.042 129 V CA -0.954 61.162 62.300 -0.306 0.000 0.872 129 V CB 1.731 33.441 31.823 -0.188 0.000 0.998 129 V HN 0.649 nan 8.190 nan 0.000 0.423 130 D N 2.467 122.670 120.400 -0.328 0.000 2.424 130 D HA 0.098 4.745 4.640 0.012 0.000 0.244 130 D C 1.104 177.396 176.300 -0.013 0.000 1.134 130 D CA 0.082 53.990 54.000 -0.153 0.000 0.881 130 D CB 1.210 41.938 40.800 -0.120 0.000 1.191 130 D HN 0.763 nan 8.370 nan 0.000 0.445 131 E N 1.118 121.322 120.200 0.008 0.000 2.171 131 E HA -0.252 4.105 4.350 0.012 0.000 0.197 131 E C 1.575 178.233 176.600 0.097 0.000 0.997 131 E CA 1.792 58.218 56.400 0.043 0.000 0.810 131 E CB 0.142 29.857 29.700 0.024 0.000 0.738 131 E HN 0.486 nan 8.360 nan 0.000 0.467 132 S N -0.599 115.172 115.700 0.119 0.000 2.383 132 S HA -0.199 4.278 4.470 0.012 0.000 0.229 132 S C 1.641 176.325 174.600 0.141 0.000 1.030 132 S CA 1.097 59.371 58.200 0.123 0.000 1.002 132 S CB -0.854 62.422 63.200 0.127 0.000 0.829 132 S HN 0.429 nan 8.310 nan 0.000 0.467 133 W N 1.740 122.964 121.300 -0.125 0.000 2.392 133 W HA 0.248 4.915 4.660 0.012 0.000 0.279 133 W C 1.953 178.522 176.519 0.082 0.000 1.225 133 W CA 0.147 57.408 57.345 -0.141 0.000 1.233 133 W CB -0.555 28.906 29.460 0.001 0.000 1.122 133 W HN 0.302 nan 8.180 nan 0.000 0.561 134 L N -0.227 121.162 121.223 0.277 0.000 2.529 134 L HA -0.012 4.336 4.340 0.012 0.000 0.223 134 L C 2.335 179.287 176.870 0.138 0.000 1.113 134 L CA 0.329 55.291 54.840 0.203 0.000 0.861 134 L CB -0.494 41.652 42.059 0.145 0.000 1.012 134 L HN -0.086 nan 8.230 nan 0.000 0.461 135 Q N 1.105 120.972 119.800 0.112 0.000 2.167 135 Q HA -0.061 4.286 4.340 0.012 0.000 0.202 135 Q C 0.386 176.433 176.000 0.078 0.000 0.970 135 Q CA 0.968 56.816 55.803 0.074 0.000 0.855 135 Q CB 0.210 28.979 28.738 0.051 0.000 0.911 135 Q HN 0.665 nan 8.270 nan 0.000 0.438 136 E N -1.826 118.441 120.200 0.112 0.000 2.433 136 E HA 0.533 4.890 4.350 0.012 0.000 0.278 136 E C -0.077 176.649 176.600 0.210 0.000 0.976 136 E CA -0.463 56.008 56.400 0.118 0.000 0.793 136 E CB 1.841 31.591 29.700 0.084 0.000 1.311 136 E HN 0.071 nan 8.360 nan 0.000 0.460 137 G N 0.791 109.639 108.800 0.082 0.000 2.698 137 G HA2 -0.266 3.701 3.960 0.012 0.000 0.233 137 G HA3 -0.266 3.701 3.960 0.012 0.000 0.233 137 G C -0.800 174.019 174.900 -0.135 0.000 1.352 137 G CA 0.118 45.172 45.100 -0.076 0.000 0.879 137 G HN 0.779 nan 8.290 nan 0.000 0.567 138 Q N -0.517 119.042 119.800 -0.400 0.000 2.340 138 Q HA 0.645 4.992 4.340 0.012 0.000 0.268 138 Q C -1.098 174.751 176.000 -0.252 0.000 1.031 138 Q CA -0.474 55.196 55.803 -0.222 0.000 0.804 138 Q CB 1.693 30.342 28.738 -0.149 0.000 1.286 138 Q HN 0.623 nan 8.270 nan 0.000 0.448 139 T N 4.835 119.414 114.554 0.041 0.000 2.791 139 T HA 0.471 4.828 4.350 0.012 0.000 0.288 139 T C -0.635 174.184 174.700 0.198 0.000 0.999 139 T CA -0.640 61.584 62.100 0.207 0.000 0.952 139 T CB 0.616 69.742 68.868 0.431 0.000 0.938 139 T HN 0.649 nan 8.240 nan 0.000 0.444 140 R N 2.986 123.590 120.500 0.174 0.000 2.832 140 R HA 0.814 5.161 4.340 0.012 0.000 0.271 140 R C -1.168 175.233 176.300 0.168 0.000 0.996 140 R CA -0.959 55.238 56.100 0.162 0.000 0.977 140 R CB 1.496 31.863 30.300 0.111 0.000 1.168 140 R HN 0.576 nan 8.270 nan 0.000 0.482 141 I N 2.213 122.884 120.570 0.169 0.000 2.530 141 I HA 0.482 4.659 4.170 0.012 0.000 0.297 141 I C -1.269 174.897 176.117 0.082 0.000 1.011 141 I CA -1.288 60.064 61.300 0.088 0.000 1.107 141 I CB 1.637 39.687 38.000 0.083 0.000 1.285 141 I HN 0.650 nan 8.210 nan 0.000 0.436 142 I N 7.020 127.536 120.570 -0.089 0.000 2.447 142 I HA 0.307 4.484 4.170 0.012 0.000 0.287 142 I C -1.336 174.641 176.117 -0.233 0.000 1.023 142 I CA -0.346 60.922 61.300 -0.054 0.000 1.083 142 I CB 1.638 39.617 38.000 -0.035 0.000 1.245 142 I HN 0.383 nan 8.210 nan 0.000 0.434 143 F N 4.577 124.529 119.950 0.003 0.000 2.332 143 F HA 0.268 4.802 4.527 0.012 0.000 0.368 143 F C 1.304 177.005 175.800 -0.165 0.000 1.110 143 F CA -0.427 57.505 58.000 -0.112 0.000 1.087 143 F CB 0.783 39.690 39.000 -0.154 0.000 1.235 143 F HN 0.460 nan 8.300 nan 0.000 0.470 144 D N 2.303 122.623 120.400 -0.134 0.000 2.218 144 D HA 0.036 4.684 4.640 0.012 0.000 0.204 144 D C 0.995 177.128 176.300 -0.278 0.000 0.976 144 D CA 1.033 54.906 54.000 -0.212 0.000 0.853 144 D CB 0.331 40.952 40.800 -0.298 0.000 0.939 144 D HN 0.629 nan 8.370 nan 0.000 0.481 145 G N -0.694 107.880 108.800 -0.377 0.000 2.635 145 G HA2 0.439 4.407 3.960 0.012 0.000 0.295 145 G HA3 0.439 4.407 3.960 0.012 0.000 0.295 145 G C -1.560 173.089 174.900 -0.418 0.000 1.359 145 G CA -0.453 44.329 45.100 -0.530 0.000 1.232 145 G HN -0.053 nan 8.290 nan 0.000 0.597 146 V N 2.541 122.417 119.914 -0.063 0.000 2.525 146 V HA 0.550 4.678 4.120 0.012 0.000 0.299 146 V C -0.854 175.326 176.094 0.143 0.000 1.034 146 V CA -1.159 61.108 62.300 -0.055 0.000 0.863 146 V CB 1.979 33.531 31.823 -0.453 0.000 0.999 146 V HN 0.710 nan 8.190 nan 0.000 0.423 147 N N 2.364 121.140 118.700 0.127 0.000 2.443 147 N HA 0.339 5.087 4.740 0.012 0.000 0.269 147 N C 0.625 176.085 175.510 -0.084 0.000 0.985 147 N CA 0.171 53.212 53.050 -0.015 0.000 0.921 147 N CB 2.276 40.606 38.487 -0.262 0.000 1.195 147 N HN 0.675 nan 8.380 nan 0.000 0.492 148 S N 1.996 117.680 115.700 -0.027 0.000 2.505 148 S HA 0.554 5.031 4.470 0.012 0.000 0.216 148 S C 0.377 175.044 174.600 0.112 0.000 1.018 148 S CA 0.137 58.367 58.200 0.050 0.000 0.911 148 S CB 0.327 63.571 63.200 0.073 0.000 0.818 148 S HN 0.661 nan 8.310 nan 0.000 0.497 149 A N 0.786 123.688 122.820 0.137 0.000 2.612 149 A HA 0.774 5.101 4.320 0.012 0.000 0.293 149 A C -1.319 176.384 177.584 0.199 0.000 1.075 149 A CA -0.983 51.111 52.037 0.095 0.000 0.680 149 A CB 0.904 20.001 19.000 0.162 0.000 1.279 149 A HN 1.118 nan 8.150 nan 0.000 0.411 150 F N -0.456 119.343 119.950 -0.252 0.000 2.703 150 F HA 0.719 5.253 4.527 0.012 0.000 0.308 150 F C -1.184 174.534 175.800 -0.136 0.000 1.126 150 F CA -0.762 57.171 58.000 -0.112 0.000 0.959 150 F CB 1.123 40.034 39.000 -0.148 0.000 1.297 150 F HN 0.648 nan 8.300 nan 0.000 0.441 151 H N 2.110 121.347 119.070 0.278 0.000 2.533 151 H HA 0.763 5.327 4.556 0.012 0.000 0.343 151 H C -1.420 173.884 175.328 -0.040 0.000 1.160 151 H CA -0.750 55.320 56.048 0.037 0.000 1.218 151 H CB 2.523 32.264 29.762 -0.035 0.000 1.566 151 H HN 0.822 nan 8.280 nan 0.000 0.522 152 L N 2.284 123.282 121.223 -0.374 0.000 2.431 152 L HA 0.411 4.758 4.340 0.012 0.000 0.266 152 L C -1.814 174.753 176.870 -0.505 0.000 0.978 152 L CA -0.477 54.205 54.840 -0.263 0.000 0.822 152 L CB 1.811 43.615 42.059 -0.424 0.000 1.310 152 L HN 0.518 nan 8.230 nan 0.000 0.409 153 W N 4.060 125.302 121.300 -0.097 0.000 2.864 153 W HA 0.625 5.292 4.660 0.012 0.000 0.343 153 W C -1.185 175.263 176.519 -0.118 0.000 1.109 153 W CA -0.826 56.456 57.345 -0.105 0.000 1.192 153 W CB 2.090 31.534 29.460 -0.027 0.000 1.426 153 W HN 0.631 nan 8.180 nan 0.000 0.529 154 C N 4.219 123.597 119.300 0.129 0.000 2.431 154 C HA 0.299 4.766 4.460 0.012 0.000 0.321 154 C C 0.324 175.443 174.990 0.214 0.000 1.202 154 C CA -0.341 58.755 59.018 0.129 0.000 1.398 154 C CB -0.351 27.406 27.740 0.029 0.000 2.047 154 C HN 0.807 nan 8.230 nan 0.000 0.465 155 N N 3.445 122.229 118.700 0.140 0.000 2.710 155 N HA -0.197 4.550 4.740 0.012 0.000 0.249 155 N C 0.968 176.543 175.510 0.109 0.000 1.059 155 N CA 1.994 55.104 53.050 0.100 0.000 0.720 155 N CB -1.261 37.290 38.487 0.108 0.000 0.983 155 N HN 1.797 nan 8.380 nan 0.000 0.544 156 G N -1.240 107.615 108.800 0.090 0.000 2.179 156 G HA2 -0.358 3.609 3.960 0.012 0.000 0.260 156 G HA3 -0.358 3.609 3.960 0.012 0.000 0.260 156 G C 0.097 175.150 174.900 0.254 0.000 0.977 156 G CA 0.586 45.727 45.100 0.068 0.000 0.641 156 G HN 0.552 nan 8.290 nan 0.000 0.533 157 R N -1.045 119.681 120.500 0.377 0.000 2.460 157 R HA 0.423 4.770 4.340 0.012 0.000 0.303 157 R C -0.342 176.300 176.300 0.570 0.000 0.968 157 R CA -0.905 55.500 56.100 0.508 0.000 0.889 157 R CB 1.166 31.787 30.300 0.536 0.000 1.123 157 R HN 0.175 nan 8.270 nan 0.000 0.455 158 W N 3.816 125.310 121.300 0.324 0.000 2.308 158 W HA 0.063 4.730 4.660 0.012 0.000 0.324 158 W C 0.126 176.562 176.519 -0.138 0.000 1.387 158 W CA 0.063 57.281 57.345 -0.213 0.000 1.250 158 W CB 0.605 29.928 29.460 -0.228 0.000 1.257 158 W HN 0.357 nan 8.180 nan 0.000 0.554 159 V N 5.574 124.745 119.914 -1.238 0.000 2.484 159 V HA 0.546 4.673 4.120 0.012 0.000 0.236 159 V C 1.129 176.205 176.094 -1.697 0.000 1.062 159 V CA 1.163 62.686 62.300 -1.295 0.000 1.081 159 V CB -0.624 30.490 31.823 -1.181 0.000 0.751 159 V HN 0.775 nan 8.190 nan 0.000 0.484 160 G N -1.983 105.636 108.800 -1.970 0.000 2.427 160 G HA2 0.473 4.440 3.960 0.012 0.000 0.306 160 G HA3 0.473 4.440 3.960 0.012 0.000 0.306 160 G C -2.432 171.980 174.900 -0.812 0.000 1.280 160 G CA -0.270 43.974 45.100 -1.426 0.000 0.837 160 G HN 0.031 nan 8.290 nan 0.000 0.482 161 Y N -0.476 119.518 120.300 -0.510 0.000 2.562 161 Y HA 0.706 5.263 4.550 0.012 0.000 0.345 161 Y C -0.066 175.593 175.900 -0.401 0.000 1.045 161 Y CA -0.144 57.616 58.100 -0.567 0.000 1.028 161 Y CB 2.320 40.609 38.460 -0.284 0.000 1.297 161 Y HN 1.153 nan 8.280 nan 0.000 0.463 162 G N 3.775 111.748 108.800 -1.380 0.000 2.706 162 G HA2 0.581 4.548 3.960 0.012 0.000 0.297 162 G HA3 0.581 4.548 3.960 0.012 0.000 0.297 162 G C -2.092 172.354 174.900 -0.758 0.000 1.403 162 G CA -0.864 43.720 45.100 -0.860 0.000 0.954 162 G HN 0.607 nan 8.290 nan 0.000 0.500 163 Q N 0.005 119.596 119.800 -0.349 0.000 2.496 163 Q HA 0.599 4.946 4.340 0.012 0.000 0.286 163 Q C -1.306 174.694 176.000 0.000 0.000 1.103 163 Q CA -0.852 54.876 55.803 -0.124 0.000 0.813 163 Q CB 2.669 31.378 28.738 -0.047 0.000 1.444 163 Q HN 0.627 nan 8.270 nan 0.000 0.443 164 D N -0.110 120.329 120.400 0.065 0.000 4.303 164 D HA -0.094 4.553 4.640 0.012 0.000 0.230 164 D C -0.456 175.910 176.300 0.110 0.000 1.172 164 D CA 0.433 54.486 54.000 0.089 0.000 1.001 164 D CB -0.600 40.237 40.800 0.061 0.000 0.641 164 D HN 0.563 nan 8.370 nan 0.000 0.296 165 S N 3.136 118.914 115.700 0.130 0.000 2.500 165 S HA -0.094 4.384 4.470 0.012 0.000 0.239 165 S C 1.573 176.311 174.600 0.229 0.000 0.989 165 S CA 0.591 58.898 58.200 0.179 0.000 0.951 165 S CB 0.254 63.519 63.200 0.107 0.000 0.759 165 S HN 0.464 nan 8.310 nan 0.000 0.523 166 R N 0.165 120.761 120.500 0.161 0.000 2.509 166 R HA 0.438 4.786 4.340 0.012 0.000 0.300 166 R C -0.327 176.036 176.300 0.106 0.000 0.985 166 R CA 0.069 56.267 56.100 0.163 0.000 1.092 166 R CB 0.113 30.532 30.300 0.198 0.000 1.237 166 R HN 0.340 nan 8.270 nan 0.000 0.546 167 L N 1.413 122.669 121.223 0.055 0.000 2.350 167 L HA 0.503 4.851 4.340 0.012 0.000 0.260 167 L C -2.377 174.473 176.870 -0.033 0.000 1.015 167 L CA -2.308 52.533 54.840 0.002 0.000 0.821 167 L CB 2.987 45.040 42.059 -0.010 0.000 1.370 167 L HN -0.194 nan 8.230 nan 0.000 0.416 168 P HA 0.102 nan 4.420 nan 0.000 0.271 168 P C -0.990 176.271 177.300 -0.065 0.000 1.216 168 P CA -0.188 62.867 63.100 -0.075 0.000 0.776 168 P CB 1.161 32.781 31.700 -0.134 0.000 0.881 169 S N 2.006 117.723 115.700 0.028 0.000 2.449 169 S HA 0.329 4.806 4.470 0.012 0.000 0.310 169 S C -0.395 174.161 174.600 -0.074 0.000 1.096 169 S CA -0.615 57.564 58.200 -0.035 0.000 1.095 169 S CB 0.936 64.296 63.200 0.267 0.000 1.007 169 S HN 0.387 nan 8.310 nan 0.000 0.474 170 E N 2.057 122.009 120.200 -0.413 0.000 2.222 170 E HA 0.551 4.908 4.350 0.012 0.000 0.267 170 E C -1.468 174.764 176.600 -0.613 0.000 0.884 170 E CA -0.561 55.680 56.400 -0.264 0.000 0.764 170 E CB 1.755 31.398 29.700 -0.094 0.000 1.169 170 E HN 0.406 nan 8.360 nan 0.000 0.413 171 F N 0.622 120.627 119.950 0.091 0.000 2.565 171 F HA 0.201 4.735 4.527 0.012 0.000 0.313 171 F C 0.036 175.860 175.800 0.039 0.000 1.091 171 F CA -1.095 56.920 58.000 0.025 0.000 0.915 171 F CB 1.613 40.590 39.000 -0.039 0.000 1.208 171 F HN 0.282 nan 8.300 nan 0.000 0.453 172 D N 2.960 123.488 120.400 0.212 0.000 2.325 172 D HA 0.226 4.873 4.640 0.012 0.000 0.251 172 D C 0.294 176.737 176.300 0.237 0.000 1.196 172 D CA 0.260 54.371 54.000 0.185 0.000 0.866 172 D CB 0.942 41.833 40.800 0.152 0.000 1.101 172 D HN 0.565 nan 8.370 nan 0.000 0.476 173 L N 2.846 124.214 121.223 0.240 0.000 2.667 173 L HA 0.037 4.384 4.340 0.012 0.000 0.232 173 L C 2.094 179.195 176.870 0.385 0.000 1.138 173 L CA -0.190 54.835 54.840 0.308 0.000 0.921 173 L CB 0.030 42.234 42.059 0.242 0.000 1.180 173 L HN 0.280 nan 8.230 nan 0.000 0.487 174 S N 1.410 117.281 115.700 0.286 0.000 2.378 174 S HA -0.297 4.180 4.470 0.012 0.000 0.229 174 S C 2.062 176.773 174.600 0.184 0.000 1.052 174 S CA 1.993 60.320 58.200 0.212 0.000 1.084 174 S CB -0.131 63.152 63.200 0.139 0.000 0.950 174 S HN 0.589 nan 8.310 nan 0.000 0.440 175 A N -0.642 122.275 122.820 0.161 0.000 2.208 175 A HA 0.291 4.618 4.320 0.012 0.000 0.209 175 A C 1.463 178.973 177.584 -0.123 0.000 1.161 175 A CA 0.403 52.421 52.037 -0.032 0.000 0.782 175 A CB -0.424 18.459 19.000 -0.196 0.000 0.816 175 A HN 0.485 nan 8.150 nan 0.000 0.477 176 F N -0.399 119.594 119.950 0.072 0.000 2.714 176 F HA 0.334 4.868 4.527 0.012 0.000 0.294 176 F C 0.791 176.630 175.800 0.065 0.000 1.120 176 F CA 0.031 58.073 58.000 0.070 0.000 1.398 176 F CB 0.049 39.097 39.000 0.081 0.000 1.120 176 F HN -0.002 nan 8.300 nan 0.000 0.589 177 L N 0.528 121.903 121.223 0.254 0.000 2.431 177 L HA 0.528 4.875 4.340 0.012 0.000 0.260 177 L C 0.099 177.010 176.870 0.069 0.000 1.098 177 L CA -0.809 54.118 54.840 0.145 0.000 0.800 177 L CB 1.103 43.257 42.059 0.158 0.000 1.210 177 L HN 0.001 nan 8.230 nan 0.000 0.465 178 R N 0.377 120.880 120.500 0.005 0.000 2.799 178 R HA 0.779 5.126 4.340 0.012 0.000 0.270 178 R C -1.190 175.082 176.300 -0.046 0.000 1.010 178 R CA -0.907 55.186 56.100 -0.010 0.000 0.916 178 R CB 1.422 31.711 30.300 -0.018 0.000 1.228 178 R HN 0.548 nan 8.270 nan 0.000 0.469 179 A N 1.256 124.057 122.820 -0.031 0.000 2.540 179 A HA 0.458 4.785 4.320 0.012 0.000 0.239 179 A C 1.137 178.669 177.584 -0.087 0.000 1.061 179 A CA 1.178 53.186 52.037 -0.049 0.000 0.758 179 A CB -0.927 18.056 19.000 -0.028 0.000 0.991 179 A HN 1.460 nan 8.150 nan 0.000 0.502 180 G N 1.758 110.487 108.800 -0.118 0.000 2.496 180 G HA2 -0.188 3.779 3.960 0.012 0.000 0.243 180 G HA3 -0.188 3.779 3.960 0.012 0.000 0.243 180 G C -0.109 174.659 174.900 -0.221 0.000 1.176 180 G CA 0.201 45.215 45.100 -0.142 0.000 0.940 180 G HN 1.023 nan 8.290 nan 0.000 0.573 181 E N 1.885 121.967 120.200 -0.197 0.000 2.366 181 E HA 0.333 4.690 4.350 0.012 0.000 0.266 181 E C 0.082 176.495 176.600 -0.312 0.000 1.015 181 E CA 0.145 56.395 56.400 -0.250 0.000 0.906 181 E CB 0.249 29.852 29.700 -0.160 0.000 0.979 181 E HN 0.412 nan 8.360 nan 0.000 0.443 182 N N 2.619 120.996 118.700 -0.538 0.000 2.321 182 N HA 0.394 5.141 4.740 0.012 0.000 0.290 182 N C -0.972 174.341 175.510 -0.328 0.000 1.212 182 N CA -0.751 51.989 53.050 -0.516 0.000 0.767 182 N CB 2.319 40.380 38.487 -0.710 0.000 1.494 182 N HN 0.288 nan 8.380 nan 0.000 0.479 183 R N 1.732 122.207 120.500 -0.041 0.000 2.502 183 R HA 0.457 4.805 4.340 0.012 0.000 0.300 183 R C -1.261 175.129 176.300 0.151 0.000 0.984 183 R CA -0.474 55.677 56.100 0.086 0.000 0.882 183 R CB 0.811 31.102 30.300 -0.016 0.000 1.180 183 R HN 0.480 nan 8.270 nan 0.000 0.444 184 L N 3.039 124.373 121.223 0.184 0.000 2.379 184 L HA 0.764 5.111 4.340 0.012 0.000 0.269 184 L C -0.129 176.780 176.870 0.066 0.000 1.084 184 L CA -0.971 53.956 54.840 0.146 0.000 0.802 184 L CB 1.844 43.986 42.059 0.138 0.000 1.175 184 L HN 0.773 nan 8.230 nan 0.000 0.448 185 A N 2.410 125.266 122.820 0.061 0.000 2.375 185 A HA 0.707 5.034 4.320 0.012 0.000 0.295 185 A C -1.034 176.741 177.584 0.318 0.000 1.066 185 A CA -0.442 51.497 52.037 -0.163 0.000 0.722 185 A CB 1.461 19.880 19.000 -0.969 0.000 1.206 185 A HN 0.364 nan 8.150 nan 0.000 0.435 186 V N 3.405 123.690 119.914 0.618 0.000 2.378 186 V HA 0.446 4.573 4.120 0.012 0.000 0.288 186 V C 0.047 176.639 176.094 0.830 0.000 1.016 186 V CA -0.283 62.400 62.300 0.639 0.000 0.840 186 V CB 1.385 33.404 31.823 0.327 0.000 0.994 186 V HN 0.953 nan 8.190 nan 0.000 0.431 187 M N 6.166 126.289 119.600 0.872 0.000 2.069 187 M HA 0.509 4.997 4.480 0.012 0.000 0.349 187 M C -1.331 175.213 176.300 0.406 0.000 1.194 187 M CA -0.311 55.343 55.300 0.591 0.000 1.081 187 M CB 0.922 33.923 32.600 0.669 0.000 1.500 187 M HN 0.483 nan 8.290 nan 0.000 0.438 188 V N 6.757 126.865 119.914 0.324 0.000 2.394 188 V HA 0.375 4.502 4.120 0.012 0.000 0.282 188 V C -0.122 176.122 176.094 0.251 0.000 1.031 188 V CA -0.695 61.799 62.300 0.325 0.000 0.881 188 V CB 1.412 33.506 31.823 0.453 0.000 0.982 188 V HN 0.780 nan 8.190 nan 0.000 0.451 189 L N 5.051 126.365 121.223 0.151 0.000 2.292 189 L HA 0.513 4.860 4.340 0.012 0.000 0.284 189 L C 1.589 178.487 176.870 0.047 0.000 1.065 189 L CA -0.266 54.595 54.840 0.036 0.000 0.806 189 L CB 0.881 42.860 42.059 -0.133 0.000 1.175 189 L HN 0.659 nan 8.230 nan 0.000 0.431 190 R N 2.915 123.391 120.500 -0.039 0.000 2.073 190 R HA -0.030 4.317 4.340 0.012 0.000 0.229 190 R C -0.375 175.585 176.300 -0.565 0.000 1.120 190 R CA 0.937 56.781 56.100 -0.427 0.000 0.967 190 R CB 0.223 30.149 30.300 -0.622 0.000 0.862 190 R HN 0.584 nan 8.270 nan 0.000 0.436 191 W N 0.593 121.972 121.300 0.130 0.000 2.606 191 W HA 0.429 5.096 4.660 0.012 0.000 0.332 191 W C -0.352 176.298 176.519 0.218 0.000 1.052 191 W CA -0.833 56.594 57.345 0.136 0.000 1.223 191 W CB 1.810 31.351 29.460 0.135 0.000 1.383 191 W HN 0.026 nan 8.180 nan 0.000 0.524 192 S N -1.073 114.919 115.700 0.488 0.000 2.672 192 S HA 0.211 4.688 4.470 0.012 0.000 0.271 192 S C 0.074 174.932 174.600 0.430 0.000 1.171 192 S CA -0.464 58.033 58.200 0.496 0.000 0.817 192 S CB 1.168 64.631 63.200 0.438 0.000 1.150 192 S HN 0.621 nan 8.310 nan 0.000 0.478 193 D N 0.333 120.989 120.400 0.427 0.000 2.263 193 D HA 0.077 4.724 4.640 0.012 0.000 0.208 193 D C 1.765 178.378 176.300 0.522 0.000 0.971 193 D CA 1.126 55.423 54.000 0.496 0.000 0.867 193 D CB -0.689 40.275 40.800 0.275 0.000 0.929 193 D HN 0.695 nan 8.370 nan 0.000 0.492 194 G N 0.230 109.254 108.800 0.374 0.000 2.448 194 G HA2 -0.272 3.695 3.960 0.012 0.000 0.219 194 G HA3 -0.272 3.695 3.960 0.012 0.000 0.219 194 G C 1.707 176.794 174.900 0.311 0.000 1.127 194 G CA 0.753 46.046 45.100 0.321 0.000 0.766 194 G HN 0.319 nan 8.290 nan 0.000 0.552 195 S N 0.018 115.886 115.700 0.280 0.000 2.419 195 S HA -0.125 4.352 4.470 0.012 0.000 0.235 195 S C 1.910 176.600 174.600 0.150 0.000 1.019 195 S CA 0.854 59.185 58.200 0.219 0.000 0.982 195 S CB -0.420 62.924 63.200 0.240 0.000 0.789 195 S HN 0.557 nan 8.310 nan 0.000 0.490 196 Y N 1.206 121.624 120.300 0.197 0.000 2.403 196 Y HA 0.057 4.614 4.550 0.012 0.000 0.291 196 Y C 1.606 177.611 175.900 0.174 0.000 1.143 196 Y CA 0.660 58.785 58.100 0.042 0.000 1.257 196 Y CB -0.233 38.120 38.460 -0.179 0.000 0.984 196 Y HN 0.199 nan 8.280 nan 0.000 0.550 197 L N -0.215 121.205 121.223 0.328 0.000 2.700 197 L HA 0.132 4.479 4.340 0.012 0.000 0.234 197 L C -0.062 176.956 176.870 0.246 0.000 1.156 197 L CA 0.381 55.374 54.840 0.256 0.000 0.946 197 L CB 0.027 42.236 42.059 0.249 0.000 1.216 197 L HN 0.134 nan 8.230 nan 0.000 0.493 198 E N -0.171 120.189 120.200 0.267 0.000 3.846 198 E HA 0.042 4.399 4.350 0.012 0.000 0.216 198 E C -0.430 176.290 176.600 0.201 0.000 1.092 198 E CA -0.074 56.464 56.400 0.230 0.000 1.370 198 E CB 0.503 30.325 29.700 0.203 0.000 1.227 198 E HN 0.031 nan 8.360 nan 0.000 0.442 199 D N 0.995 121.479 120.400 0.140 0.000 2.434 199 D HA 0.021 4.668 4.640 0.012 0.000 0.232 199 D C -0.114 176.198 176.300 0.020 0.000 1.166 199 D CA -0.033 53.941 54.000 -0.042 0.000 0.830 199 D CB 0.211 40.732 40.800 -0.465 0.000 0.960 199 D HN 0.095 nan 8.370 nan 0.000 0.497 200 Q N 0.382 120.282 119.800 0.167 0.000 2.432 200 Q HA 0.087 4.434 4.340 0.012 0.000 0.264 200 Q C -0.060 176.068 176.000 0.213 0.000 1.035 200 Q CA 0.216 56.181 55.803 0.269 0.000 0.908 200 Q CB 0.514 29.555 28.738 0.505 0.000 1.280 200 Q HN 0.045 nan 8.270 nan 0.000 0.455 201 D N 2.537 123.095 120.400 0.264 0.000 2.498 201 D HA 0.195 4.842 4.640 0.012 0.000 0.229 201 D C -0.815 175.646 176.300 0.268 0.000 1.188 201 D CA 0.105 54.243 54.000 0.232 0.000 1.028 201 D CB -0.481 40.467 40.800 0.247 0.000 1.087 201 D HN 0.477 nan 8.370 nan 0.000 0.510 202 M N 0.002 119.721 119.600 0.198 0.000 3.084 202 M HA 0.409 4.896 4.480 0.012 0.000 0.273 202 M C -1.336 175.033 176.300 0.115 0.000 1.242 202 M CA -1.173 54.162 55.300 0.059 0.000 0.819 202 M CB 1.069 33.610 32.600 -0.099 0.000 1.625 202 M HN -0.106 nan 8.290 nan 0.000 0.493 203 W N 1.895 123.263 121.300 0.115 0.000 2.223 203 W HA 0.333 5.000 4.660 0.012 0.000 0.334 203 W C 0.226 176.756 176.519 0.017 0.000 1.334 203 W CA -0.014 57.394 57.345 0.104 0.000 1.246 203 W CB 0.367 29.820 29.460 -0.011 0.000 1.184 203 W HN 0.291 nan 8.180 nan 0.000 0.563 204 R N 4.803 125.476 120.500 0.289 0.000 2.235 204 R HA 0.347 4.694 4.340 0.012 0.000 0.338 204 R C -0.052 176.259 176.300 0.018 0.000 1.087 204 R CA -0.112 56.082 56.100 0.157 0.000 0.948 204 R CB -0.200 30.267 30.300 0.279 0.000 1.099 204 R HN 0.549 nan 8.270 nan 0.000 0.483 205 M N 0.112 119.613 119.600 -0.165 0.000 2.758 205 M HA 0.520 5.007 4.480 0.012 0.000 0.281 205 M C 0.059 176.012 176.300 -0.579 0.000 1.082 205 M CA -0.751 54.329 55.300 -0.367 0.000 0.866 205 M CB 1.999 34.383 32.600 -0.361 0.000 1.662 205 M HN 0.594 nan 8.290 nan 0.000 0.515 206 S N -1.311 113.917 115.700 -0.786 0.000 2.615 206 S HA 0.891 5.368 4.470 0.012 0.000 0.268 206 S C -0.642 173.450 174.600 -0.848 0.000 1.146 206 S CA -0.222 57.428 58.200 -0.917 0.000 0.818 206 S CB 1.569 64.031 63.200 -1.230 0.000 1.111 206 S HN 1.452 nan 8.310 nan 0.000 0.465 207 G N 0.024 108.597 108.800 -0.379 0.000 2.343 207 G HA2 0.169 4.136 3.960 0.012 0.000 0.562 207 G HA3 0.169 4.136 3.960 0.012 0.000 0.562 207 G C -1.367 173.540 174.900 0.012 0.000 1.269 207 G CA -0.590 44.602 45.100 0.153 0.000 1.011 207 G HN 1.231 nan 8.290 nan 0.000 0.498 208 I N 2.011 122.411 120.570 -0.283 0.000 2.241 208 I HA 0.270 4.447 4.170 0.012 0.000 0.294 208 I C 1.185 177.168 176.117 -0.224 0.000 1.145 208 I CA -0.204 60.851 61.300 -0.408 0.000 1.261 208 I CB -0.160 37.359 38.000 -0.802 0.000 1.475 208 I HN 0.511 nan 8.210 nan 0.000 0.533 209 F N 4.428 124.230 119.950 -0.246 0.000 2.727 209 F HA 0.445 4.979 4.527 0.012 0.000 0.302 209 F C 0.686 176.409 175.800 -0.129 0.000 1.097 209 F CA -0.481 57.408 58.000 -0.184 0.000 1.330 209 F CB 0.062 38.955 39.000 -0.179 0.000 1.084 209 F HN 0.148 nan 8.300 nan 0.000 0.578 210 R N 0.246 120.296 120.500 -0.751 0.000 2.930 210 R HA 0.251 4.598 4.340 0.012 0.000 0.257 210 R C -0.760 175.334 176.300 -0.345 0.000 1.107 210 R CA -1.158 54.617 56.100 -0.542 0.000 0.999 210 R CB 0.701 30.607 30.300 -0.656 0.000 1.209 210 R HN -0.039 nan 8.270 nan 0.000 0.486 211 D N 0.698 120.943 120.400 -0.258 0.000 2.419 211 D HA 0.106 4.753 4.640 0.012 0.000 0.236 211 D C -0.515 175.646 176.300 -0.232 0.000 1.165 211 D CA 0.378 54.264 54.000 -0.190 0.000 0.882 211 D CB 0.724 41.450 40.800 -0.124 0.000 1.201 211 D HN -0.011 nan 8.370 nan 0.000 0.443 212 V N 1.171 120.958 119.914 -0.213 0.000 2.495 212 V HA 0.560 4.687 4.120 0.012 0.000 0.298 212 V C 0.098 176.075 176.094 -0.196 0.000 1.031 212 V CA -0.554 61.562 62.300 -0.305 0.000 0.871 212 V CB 1.578 33.216 31.823 -0.309 0.000 0.988 212 V HN 0.747 nan 8.190 nan 0.000 0.432 213 S N 4.587 120.154 115.700 -0.221 0.000 2.618 213 S HA 0.868 5.345 4.470 0.012 0.000 0.277 213 S C -1.472 173.083 174.600 -0.076 0.000 1.138 213 S CA -0.843 57.294 58.200 -0.104 0.000 0.844 213 S CB 2.178 65.349 63.200 -0.048 0.000 1.127 213 S HN 0.427 nan 8.310 nan 0.000 0.474 214 L N 1.512 122.752 121.223 0.029 0.000 2.356 214 L HA 0.763 5.110 4.340 0.012 0.000 0.277 214 L C -1.404 175.653 176.870 0.312 0.000 0.996 214 L CA -0.766 54.167 54.840 0.154 0.000 0.822 214 L CB 1.520 43.666 42.059 0.145 0.000 1.256 214 L HN 0.854 nan 8.230 nan 0.000 0.413 215 L N 4.318 125.712 121.223 0.284 0.000 2.381 215 L HA 0.489 4.836 4.340 0.012 0.000 0.274 215 L C -1.054 175.854 176.870 0.063 0.000 0.988 215 L CA -0.202 54.746 54.840 0.182 0.000 0.824 215 L CB 1.289 43.405 42.059 0.095 0.000 1.263 215 L HN 0.608 nan 8.230 nan 0.000 0.410 216 H N 5.368 124.232 119.070 -0.343 0.000 2.517 216 H HA 0.462 5.025 4.556 0.012 0.000 0.317 216 H C -1.172 173.944 175.328 -0.354 0.000 1.080 216 H CA -0.495 55.197 56.048 -0.594 0.000 1.301 216 H CB 1.046 29.947 29.762 -1.436 0.000 1.425 216 H HN 0.522 nan 8.280 nan 0.000 0.471 217 K N 5.286 125.298 120.400 -0.647 0.000 2.395 217 K HA 0.390 4.717 4.320 0.012 0.000 0.247 217 K C -2.679 173.645 176.600 -0.460 0.000 0.973 217 K CA -2.041 54.005 56.287 -0.402 0.000 0.828 217 K CB 2.175 34.509 32.500 -0.277 0.000 1.272 217 K HN 0.491 nan 8.250 nan 0.000 0.439 218 P HA 0.165 nan 4.420 nan 0.000 0.276 218 P C 0.477 177.695 177.300 -0.136 0.000 1.252 218 P CA -0.181 62.835 63.100 -0.140 0.000 0.802 218 P CB 0.470 32.131 31.700 -0.065 0.000 1.035 219 T N -0.755 113.747 114.554 -0.086 0.000 2.746 219 T HA -0.057 4.300 4.350 0.012 0.000 0.267 219 T C 0.628 175.288 174.700 -0.067 0.000 1.039 219 T CA 1.651 63.711 62.100 -0.067 0.000 1.142 219 T CB -0.656 68.193 68.868 -0.033 0.000 0.866 219 T HN 0.436 nan 8.240 nan 0.000 0.444 220 T N 3.886 118.407 114.554 -0.055 0.000 2.794 220 T HA 0.403 4.761 4.350 0.012 0.000 0.304 220 T C -0.155 174.500 174.700 -0.075 0.000 0.973 220 T CA -0.531 61.530 62.100 -0.065 0.000 0.972 220 T CB 0.309 69.157 68.868 -0.032 0.000 0.952 220 T HN 0.487 nan 8.240 nan 0.000 0.509 221 Q N 2.512 122.251 119.800 -0.102 0.000 2.553 221 Q HA 0.596 4.943 4.340 0.012 0.000 0.293 221 Q C -1.127 174.806 176.000 -0.111 0.000 1.038 221 Q CA -1.180 54.552 55.803 -0.117 0.000 0.777 221 Q CB 1.352 29.998 28.738 -0.153 0.000 1.487 221 Q HN 0.430 nan 8.270 nan 0.000 0.426 222 I N 2.835 123.315 120.570 -0.151 0.000 2.421 222 I HA -0.000 4.177 4.170 0.012 0.000 0.291 222 I C 0.757 176.778 176.117 -0.160 0.000 1.089 222 I CA 0.040 61.267 61.300 -0.122 0.000 1.354 222 I CB 0.904 38.785 38.000 -0.199 0.000 1.413 222 I HN 0.846 nan 8.210 nan 0.000 0.513 223 S N 2.809 118.518 115.700 0.015 0.000 2.535 223 S HA 0.172 4.649 4.470 0.012 0.000 0.214 223 S C 0.182 174.984 174.600 0.338 0.000 0.980 223 S CA -0.256 58.019 58.200 0.126 0.000 0.907 223 S CB 0.185 63.428 63.200 0.072 0.000 0.790 223 S HN 0.725 nan 8.310 nan 0.000 0.510 224 D N -0.342 120.269 120.400 0.351 0.000 2.783 224 D HA 0.467 5.114 4.640 0.012 0.000 0.253 224 D C -1.911 174.583 176.300 0.323 0.000 1.206 224 D CA -0.737 53.479 54.000 0.360 0.000 0.740 224 D CB 1.133 42.013 40.800 0.132 0.000 1.313 224 D HN 0.216 nan 8.370 nan 0.000 0.427 225 F N -0.719 119.275 119.950 0.074 0.000 2.654 225 F HA 0.584 5.118 4.527 0.012 0.000 0.314 225 F C -1.624 174.222 175.800 0.077 0.000 1.116 225 F CA -0.828 57.157 58.000 -0.025 0.000 1.017 225 F CB 1.122 40.158 39.000 0.060 0.000 1.285 225 F HN 0.254 nan 8.300 nan 0.000 0.448 226 H N 2.036 121.171 119.070 0.109 0.000 2.529 226 H HA 0.735 5.298 4.556 0.012 0.000 0.348 226 H C -1.270 174.088 175.328 0.050 0.000 1.079 226 H CA -1.511 54.531 56.048 -0.009 0.000 1.198 226 H CB 2.648 32.389 29.762 -0.034 0.000 1.521 226 H HN 0.603 nan 8.280 nan 0.000 0.514 227 V N 2.383 122.379 119.914 0.136 0.000 2.459 227 V HA 0.662 4.789 4.120 0.012 0.000 0.295 227 V C -0.165 175.916 176.094 -0.022 0.000 1.029 227 V CA -0.515 61.825 62.300 0.066 0.000 0.874 227 V CB 1.270 33.136 31.823 0.072 0.000 0.985 227 V HN 0.934 nan 8.190 nan 0.000 0.438 228 A N 3.356 126.141 122.820 -0.058 0.000 2.413 228 A HA 0.960 5.287 4.320 0.012 0.000 0.307 228 A C -0.186 177.286 177.584 -0.187 0.000 1.087 228 A CA -0.519 51.460 52.037 -0.097 0.000 0.750 228 A CB 2.050 21.017 19.000 -0.055 0.000 1.296 228 A HN 0.916 nan 8.150 nan 0.000 0.423 229 T N -0.198 114.223 114.554 -0.222 0.000 2.881 229 T HA 0.739 5.096 4.350 0.012 0.000 0.291 229 T C -0.596 173.878 174.700 -0.378 0.000 0.990 229 T CA -0.657 61.221 62.100 -0.371 0.000 0.976 229 T CB 0.993 69.533 68.868 -0.547 0.000 0.970 229 T HN 0.698 nan 8.240 nan 0.000 0.438 230 R N 1.855 122.046 120.500 -0.515 0.000 2.740 230 R HA 0.796 5.143 4.340 0.012 0.000 0.282 230 R C -1.191 174.653 176.300 -0.760 0.000 0.969 230 R CA -0.756 55.103 56.100 -0.401 0.000 0.918 230 R CB 1.687 31.882 30.300 -0.175 0.000 1.175 230 R HN 0.553 nan 8.270 nan 0.000 0.464 231 F N 0.476 120.411 119.950 -0.025 0.000 2.598 231 F HA 0.380 4.914 4.527 0.011 0.000 0.327 231 F C 0.578 176.239 175.800 -0.233 0.000 1.057 231 F CA -1.069 56.852 58.000 -0.132 0.000 0.957 231 F CB 1.075 39.859 39.000 -0.360 0.000 1.278 231 F HN 0.534 nan 8.300 nan 0.000 0.484 232 N N -0.007 118.672 118.700 -0.036 0.000 2.364 232 N HA 0.048 4.796 4.740 0.012 0.000 0.264 232 N C 0.438 175.807 175.510 -0.236 0.000 1.263 232 N CA -0.186 52.808 53.050 -0.094 0.000 0.959 232 N CB 0.109 38.570 38.487 -0.043 0.000 1.204 232 N HN 0.665 nan 8.380 nan 0.000 0.550 233 D N -1.264 119.043 120.400 -0.156 0.000 2.182 233 D HA -0.239 4.408 4.640 0.012 0.000 0.201 233 D C 0.280 176.491 176.300 -0.149 0.000 0.986 233 D CA 1.573 55.481 54.000 -0.152 0.000 0.847 233 D CB -0.522 40.249 40.800 -0.048 0.000 0.942 233 D HN 0.739 nan 8.370 nan 0.000 0.467 234 D N -1.509 118.851 120.400 -0.067 0.000 2.501 234 D HA 0.030 4.677 4.640 0.012 0.000 0.226 234 D C 0.041 176.485 176.300 0.241 0.000 1.198 234 D CA -1.014 53.053 54.000 0.111 0.000 0.830 234 D CB -1.052 39.815 40.800 0.112 0.000 1.014 234 D HN 0.191 nan 8.370 nan 0.000 0.496 235 F N 0.441 120.453 119.950 0.103 0.000 3.034 235 F HA -0.296 4.238 4.527 0.011 0.000 0.286 235 F C 1.647 177.530 175.800 0.138 0.000 0.804 235 F CA 0.872 58.944 58.000 0.120 0.000 1.161 235 F CB -2.523 36.435 39.000 -0.070 0.000 1.317 235 F HN 0.220 nan 8.300 nan 0.000 0.453 236 S N -1.439 114.372 115.700 0.185 0.000 2.528 236 S HA 0.290 4.768 4.470 0.012 0.000 0.219 236 S C 0.658 175.322 174.600 0.105 0.000 0.985 236 S CA -0.012 58.269 58.200 0.135 0.000 0.914 236 S CB 0.432 63.683 63.200 0.084 0.000 0.776 236 S HN 0.464 nan 8.310 nan 0.000 0.526 237 R N 0.077 120.646 120.500 0.116 0.000 2.725 237 R HA 0.821 5.168 4.340 0.012 0.000 0.277 237 R C -1.237 175.105 176.300 0.069 0.000 0.987 237 R CA -0.278 55.856 56.100 0.057 0.000 0.901 237 R CB 2.261 32.568 30.300 0.010 0.000 1.207 237 R HN 0.261 nan 8.270 nan 0.000 0.463 238 A N 1.371 124.174 122.820 -0.029 0.000 2.566 238 A HA 0.778 5.105 4.320 0.012 0.000 0.292 238 A C -1.467 176.041 177.584 -0.128 0.000 1.112 238 A CA -0.651 51.279 52.037 -0.179 0.000 0.707 238 A CB 2.066 20.980 19.000 -0.142 0.000 1.302 238 A HN 0.339 nan 8.150 nan 0.000 0.409 239 V N 1.110 120.920 119.914 -0.173 0.000 2.577 239 V HA 0.450 4.578 4.120 0.012 0.000 0.303 239 V C -0.731 175.308 176.094 -0.091 0.000 1.042 239 V CA -0.348 61.893 62.300 -0.097 0.000 0.872 239 V CB 1.489 33.252 31.823 -0.099 0.000 0.998 239 V HN 0.827 nan 8.190 nan 0.000 0.423 240 L N 5.082 126.293 121.223 -0.021 0.000 2.264 240 L HA 0.590 4.937 4.340 0.012 0.000 0.289 240 L C -0.082 176.749 176.870 -0.065 0.000 1.044 240 L CA 0.169 54.972 54.840 -0.062 0.000 0.807 240 L CB 0.798 42.863 42.059 0.010 0.000 1.192 240 L HN 0.642 nan 8.230 nan 0.000 0.425 241 E N 4.929 125.082 120.200 -0.079 0.000 2.176 241 E HA 0.610 4.968 4.350 0.012 0.000 0.267 241 E C -1.115 175.473 176.600 -0.021 0.000 0.893 241 E CA -0.812 55.560 56.400 -0.047 0.000 0.761 241 E CB 2.048 31.721 29.700 -0.045 0.000 1.133 241 E HN 0.684 nan 8.360 nan 0.000 0.409 242 A N 3.465 126.282 122.820 -0.005 0.000 2.335 242 A HA 0.302 4.629 4.320 0.012 0.000 0.304 242 A C -0.544 177.049 177.584 0.014 0.000 1.118 242 A CA -0.662 51.397 52.037 0.037 0.000 0.757 242 A CB 1.000 20.025 19.000 0.041 0.000 1.188 242 A HN 0.665 nan 8.150 nan 0.000 0.460 243 E N 2.640 122.855 120.200 0.025 0.000 2.174 243 E HA 0.550 4.907 4.350 0.012 0.000 0.282 243 E C -1.363 175.211 176.600 -0.044 0.000 0.992 243 E CA -0.363 56.015 56.400 -0.036 0.000 0.803 243 E CB 1.174 30.833 29.700 -0.067 0.000 1.090 243 E HN 0.381 nan 8.360 nan 0.000 0.396 244 V N 4.828 124.722 119.914 -0.033 0.000 2.604 244 V HA 0.299 4.426 4.120 0.012 0.000 0.305 244 V C -0.469 175.690 176.094 0.107 0.000 1.043 244 V CA -0.796 61.526 62.300 0.036 0.000 0.888 244 V CB 1.736 33.552 31.823 -0.011 0.000 0.995 244 V HN 0.728 nan 8.190 nan 0.000 0.429 245 Q N 4.337 124.216 119.800 0.130 0.000 2.377 245 Q HA 0.835 5.182 4.340 0.012 0.000 0.271 245 Q C -0.963 175.125 176.000 0.146 0.000 1.077 245 Q CA -0.937 54.955 55.803 0.149 0.000 0.820 245 Q CB 2.771 31.520 28.738 0.018 0.000 1.347 245 Q HN 0.797 nan 8.270 nan 0.000 0.444 246 M N -0.851 118.763 119.600 0.022 0.000 2.716 246 M HA 0.763 5.251 4.480 0.012 0.000 0.307 246 M C -1.248 174.968 176.300 -0.140 0.000 1.223 246 M CA -0.496 54.732 55.300 -0.121 0.000 0.871 246 M CB 1.680 34.004 32.600 -0.460 0.000 1.739 246 M HN 0.542 nan 8.290 nan 0.000 0.475 247 C N 0.792 120.018 119.300 -0.124 0.000 2.614 247 C HA 1.021 5.488 4.460 0.012 0.000 0.320 247 C C 0.747 175.666 174.990 -0.119 0.000 1.200 247 C CA 0.703 59.662 59.018 -0.098 0.000 1.700 247 C CB 0.888 28.596 27.740 -0.053 0.000 2.275 247 C HN 1.362 nan 8.230 nan 0.000 0.492 248 G N 1.575 110.315 108.800 -0.101 0.000 2.378 248 G HA2 -0.087 3.880 3.960 0.012 0.000 0.198 248 G HA3 -0.087 3.880 3.960 0.012 0.000 0.198 248 G C -0.543 174.293 174.900 -0.106 0.000 1.223 248 G CA -0.449 44.597 45.100 -0.091 0.000 1.088 248 G HN 0.860 nan 8.290 nan 0.000 0.530 249 E N 0.859 121.005 120.200 -0.089 0.000 1.939 249 E HA 0.243 4.600 4.350 0.012 0.000 0.259 249 E C 0.388 176.894 176.600 -0.158 0.000 1.259 249 E CA -0.202 56.148 56.400 -0.083 0.000 0.971 249 E CB -0.346 29.344 29.700 -0.017 0.000 1.055 249 E HN 0.376 nan 8.360 nan 0.000 0.420 250 L N 5.408 126.520 121.223 -0.185 0.000 2.369 250 L HA 0.213 4.560 4.340 0.012 0.000 0.279 250 L C 0.053 176.763 176.870 -0.266 0.000 1.108 250 L CA 0.155 54.842 54.840 -0.254 0.000 0.852 250 L CB 0.123 42.057 42.059 -0.209 0.000 1.169 250 L HN 0.412 nan 8.230 nan 0.000 0.452 251 R N 2.339 122.596 120.500 -0.406 0.000 2.740 251 R HA 0.192 4.539 4.340 0.012 0.000 0.273 251 R C -0.091 175.902 176.300 -0.511 0.000 0.998 251 R CA -0.816 54.965 56.100 -0.533 0.000 0.900 251 R CB 1.350 30.963 30.300 -1.145 0.000 1.223 251 R HN 0.464 nan 8.270 nan 0.000 0.466 252 D N 0.784 120.986 120.400 -0.330 0.000 2.218 252 D HA -0.141 4.506 4.640 0.012 0.000 0.204 252 D C 1.547 177.777 176.300 -0.117 0.000 0.976 252 D CA 1.545 55.448 54.000 -0.161 0.000 0.853 252 D CB 0.070 40.836 40.800 -0.058 0.000 0.939 252 D HN 0.555 nan 8.370 nan 0.000 0.481 253 Y N -0.195 120.115 120.300 0.017 0.000 2.561 253 Y HA 0.216 4.773 4.550 0.012 0.000 0.291 253 Y C 0.806 176.716 175.900 0.016 0.000 1.141 253 Y CA -0.363 57.748 58.100 0.017 0.000 1.303 253 Y CB -0.958 37.511 38.460 0.015 0.000 1.015 253 Y HN -0.184 nan 8.280 nan 0.000 0.547 254 L N 2.443 123.605 121.223 -0.102 0.000 2.439 254 L HA 0.296 4.643 4.340 0.012 0.000 0.269 254 L C 0.231 177.132 176.870 0.052 0.000 1.179 254 L CA -0.108 54.775 54.840 0.072 0.000 0.828 254 L CB 0.434 42.517 42.059 0.040 0.000 1.106 254 L HN 0.155 nan 8.230 nan 0.000 0.467 255 R N 1.522 121.946 120.500 -0.126 0.000 2.799 255 R HA 0.693 5.040 4.340 0.012 0.000 0.270 255 R C -1.500 174.491 176.300 -0.516 0.000 1.010 255 R CA -0.828 55.057 56.100 -0.357 0.000 0.916 255 R CB 2.069 32.049 30.300 -0.533 0.000 1.228 255 R HN 0.264 nan 8.270 nan 0.000 0.469 256 V N 0.738 120.383 119.914 -0.449 0.000 2.656 256 V HA 0.528 4.655 4.120 0.012 0.000 0.307 256 V C -0.410 175.643 176.094 -0.068 0.000 1.051 256 V CA -0.535 61.593 62.300 -0.286 0.000 0.893 256 V CB 2.322 33.917 31.823 -0.381 0.000 0.999 256 V HN 0.714 nan 8.190 nan 0.000 0.426 257 T N 3.954 118.587 114.554 0.131 0.000 2.812 257 T HA 0.588 4.945 4.350 0.012 0.000 0.282 257 T C -0.672 174.055 174.700 0.045 0.000 0.990 257 T CA -0.341 61.843 62.100 0.139 0.000 0.960 257 T CB 1.573 70.559 68.868 0.198 0.000 0.948 257 T HN 0.340 nan 8.240 nan 0.000 0.438 258 V N 4.039 123.958 119.914 0.009 0.000 2.409 258 V HA 0.667 4.794 4.120 0.012 0.000 0.291 258 V C 0.006 176.112 176.094 0.020 0.000 1.020 258 V CA -0.782 61.520 62.300 0.004 0.000 0.848 258 V CB 1.618 33.430 31.823 -0.018 0.000 0.990 258 V HN 1.034 nan 8.190 nan 0.000 0.430 259 S N 5.290 121.032 115.700 0.071 0.000 2.513 259 S HA 0.857 5.334 4.470 0.012 0.000 0.299 259 S C -1.077 173.586 174.600 0.105 0.000 1.087 259 S CA -0.764 57.464 58.200 0.047 0.000 1.012 259 S CB 2.129 65.395 63.200 0.109 0.000 1.044 259 S HN 0.560 nan 8.310 nan 0.000 0.485 260 L N 2.564 123.749 121.223 -0.064 0.000 2.333 260 L HA 0.815 5.162 4.340 0.012 0.000 0.280 260 L C -1.969 174.845 176.870 -0.094 0.000 1.004 260 L CA -0.248 54.636 54.840 0.073 0.000 0.820 260 L CB 0.878 42.974 42.059 0.061 0.000 1.247 260 L HN 0.889 nan 8.230 nan 0.000 0.416 261 W N 3.571 124.978 121.300 0.178 0.000 2.844 261 W HA 0.581 5.248 4.660 0.012 0.000 0.340 261 W C -0.669 175.952 176.519 0.170 0.000 1.093 261 W CA -0.476 56.954 57.345 0.141 0.000 1.212 261 W CB 1.441 30.935 29.460 0.058 0.000 1.422 261 W HN 0.419 nan 8.180 nan 0.000 0.515 262 Q N 2.566 122.528 119.800 0.270 0.000 2.401 262 Q HA 0.493 4.841 4.340 0.012 0.000 0.260 262 Q C 0.661 176.704 176.000 0.072 0.000 1.034 262 Q CA 0.456 56.269 55.803 0.015 0.000 0.737 262 Q CB 0.814 29.448 28.738 -0.174 0.000 1.227 262 Q HN 0.805 nan 8.270 nan 0.000 0.488 263 G N 3.529 112.368 108.800 0.064 0.000 2.550 263 G HA2 -0.355 3.612 3.960 0.012 0.000 0.277 263 G HA3 -0.355 3.612 3.960 0.012 0.000 0.277 263 G C 0.211 175.202 174.900 0.151 0.000 1.190 263 G CA 0.360 45.498 45.100 0.064 0.000 0.971 263 G HN 0.733 nan 8.290 nan 0.000 0.559 264 E N 0.702 120.982 120.200 0.134 0.000 2.476 264 E HA 0.208 4.565 4.350 0.012 0.000 0.191 264 E C 0.312 177.149 176.600 0.396 0.000 1.064 264 E CA 0.527 57.046 56.400 0.198 0.000 0.866 264 E CB 0.165 29.916 29.700 0.084 0.000 0.952 264 E HN 0.320 nan 8.360 nan 0.000 0.492 265 T N 1.407 116.148 114.554 0.312 0.000 2.767 265 T HA 0.098 4.455 4.350 0.012 0.000 0.284 265 T C -0.270 174.437 174.700 0.010 0.000 0.973 265 T CA -0.461 61.740 62.100 0.168 0.000 0.996 265 T CB 1.446 70.349 68.868 0.058 0.000 0.927 265 T HN 0.066 nan 8.240 nan 0.000 0.456 266 Q N 3.153 122.667 119.800 -0.477 0.000 2.293 266 Q HA 0.259 4.607 4.340 0.012 0.000 0.263 266 Q C 0.933 176.648 176.000 -0.476 0.000 1.002 266 Q CA -0.489 54.647 55.803 -1.112 0.000 0.910 266 Q CB 0.706 28.414 28.738 -1.716 0.000 1.185 266 Q HN 0.678 nan 8.270 nan 0.000 0.401 267 V N 1.088 120.818 119.914 -0.306 0.000 3.174 267 V HA 0.552 4.679 4.120 0.012 0.000 0.254 267 V C 0.403 176.402 176.094 -0.159 0.000 1.120 267 V CA 0.727 62.943 62.300 -0.140 0.000 1.114 267 V CB -0.152 31.677 31.823 0.010 0.000 0.756 267 V HN 0.678 nan 8.190 nan 0.000 0.467 268 A N -1.006 121.691 122.820 -0.205 0.000 2.601 268 A HA 0.835 5.162 4.320 0.012 0.000 0.291 268 A C -0.667 176.820 177.584 -0.162 0.000 1.075 268 A CA 0.198 52.146 52.037 -0.149 0.000 0.671 268 A CB 1.568 20.511 19.000 -0.095 0.000 1.277 268 A HN 0.589 nan 8.150 nan 0.000 0.417 269 S N -1.473 114.160 115.700 -0.111 0.000 2.552 269 S HA 0.767 5.245 4.470 0.012 0.000 0.272 269 S C -0.707 173.860 174.600 -0.055 0.000 1.150 269 S CA 0.196 58.345 58.200 -0.085 0.000 0.849 269 S CB 1.670 64.809 63.200 -0.101 0.000 1.113 269 S HN 2.364 nan 8.310 nan 0.000 0.458 270 G N 1.433 110.211 108.800 -0.036 0.000 2.746 270 G HA2 0.623 4.590 3.960 0.012 0.000 0.297 270 G HA3 0.623 4.590 3.960 0.012 0.000 0.297 270 G C -1.442 173.448 174.900 -0.015 0.000 1.426 270 G CA -0.357 44.725 45.100 -0.030 0.000 0.989 270 G HN 0.684 nan 8.290 nan 0.000 0.520 271 T N -0.005 114.543 114.554 -0.011 0.000 2.876 271 T HA 0.859 5.216 4.350 0.012 0.000 0.289 271 T C -0.260 174.417 174.700 -0.038 0.000 1.014 271 T CA -0.026 62.078 62.100 0.007 0.000 0.986 271 T CB 1.801 70.708 68.868 0.066 0.000 1.021 271 T HN 1.531 nan 8.240 nan 0.000 0.458 272 A N 3.558 126.323 122.820 -0.092 0.000 2.612 272 A HA 0.905 5.232 4.320 0.012 0.000 0.293 272 A C -3.087 174.390 177.584 -0.178 0.000 1.075 272 A CA -1.593 50.374 52.037 -0.116 0.000 0.680 272 A CB 1.332 20.259 19.000 -0.121 0.000 1.279 272 A HN 0.532 nan 8.150 nan 0.000 0.411 273 P HA 0.544 nan 4.420 nan 0.000 0.278 273 P C -0.646 176.577 177.300 -0.129 0.000 1.266 273 P CA -0.272 62.770 63.100 -0.097 0.000 0.807 273 P CB 0.404 32.092 31.700 -0.020 0.000 1.094 274 F N -0.219 119.688 119.950 -0.072 0.000 2.406 274 F HA 0.503 5.037 4.527 0.012 0.000 0.327 274 F C 1.397 177.175 175.800 -0.037 0.000 1.153 274 F CA 1.350 59.317 58.000 -0.055 0.000 1.218 274 F CB 0.458 39.418 39.000 -0.067 0.000 1.215 274 F HN 0.578 nan 8.300 nan 0.000 0.570 275 G N 1.504 110.422 108.800 0.195 0.000 2.781 275 G HA2 0.342 4.310 3.960 0.012 0.000 0.468 275 G HA3 0.342 4.310 3.960 0.012 0.000 0.468 275 G C -0.432 174.519 174.900 0.084 0.000 1.186 275 G CA -0.733 44.438 45.100 0.119 0.000 1.220 275 G HN 1.037 nan 8.290 nan 0.000 0.564 276 G N 1.004 109.875 108.800 0.118 0.000 2.621 276 G HA2 0.647 4.614 3.960 0.012 0.000 0.271 276 G HA3 0.647 4.614 3.960 0.012 0.000 0.271 276 G C 0.527 175.467 174.900 0.067 0.000 1.236 276 G CA 0.017 45.172 45.100 0.091 0.000 0.958 276 G HN 0.977 nan 8.290 nan 0.000 0.512 277 E N -0.517 119.715 120.200 0.053 0.000 2.409 277 E HA 0.056 4.413 4.350 0.012 0.000 0.257 277 E C 0.097 176.722 176.600 0.041 0.000 1.150 277 E CA -0.353 56.068 56.400 0.036 0.000 0.942 277 E CB 0.902 30.619 29.700 0.028 0.000 0.979 277 E HN 0.306 nan 8.360 nan 0.000 0.447 278 I N 1.616 122.199 120.570 0.020 0.000 2.710 278 I HA -0.099 4.078 4.170 0.012 0.000 0.286 278 I C 1.351 177.479 176.117 0.018 0.000 1.181 278 I CA 0.370 61.675 61.300 0.009 0.000 1.430 278 I CB 0.241 38.242 38.000 0.001 0.000 1.367 278 I HN 0.559 nan 8.210 nan 0.000 0.577 279 I N 1.119 121.696 120.570 0.013 0.000 4.471 279 I HA 0.326 4.503 4.170 0.012 0.000 0.326 279 I C -0.263 175.860 176.117 0.009 0.000 1.300 279 I CA -0.154 61.163 61.300 0.028 0.000 1.237 279 I CB 0.512 38.556 38.000 0.073 0.000 1.195 279 I HN 0.572 nan 8.210 nan 0.000 0.427 280 D N -0.354 120.038 120.400 -0.013 0.000 2.825 280 D HA 0.204 4.851 4.640 0.012 0.000 0.327 280 D C 0.162 176.448 176.300 -0.023 0.000 1.277 280 D CA -0.563 53.429 54.000 -0.015 0.000 0.950 280 D CB 0.632 41.423 40.800 -0.016 0.000 1.438 280 D HN -0.134 nan 8.370 nan 0.000 0.526 281 E N -1.113 119.076 120.200 -0.020 0.000 2.333 281 E HA -0.029 4.328 4.350 0.012 0.000 0.198 281 E C 1.176 177.758 176.600 -0.030 0.000 1.007 281 E CA 0.834 57.221 56.400 -0.020 0.000 0.845 281 E CB 0.012 29.703 29.700 -0.016 0.000 0.766 281 E HN 0.197 nan 8.360 nan 0.000 0.507 282 R N -0.456 120.018 120.500 -0.043 0.000 2.334 282 R HA 0.295 4.642 4.340 0.012 0.000 0.216 282 R C 0.756 177.015 176.300 -0.069 0.000 0.905 282 R CA 0.668 56.736 56.100 -0.055 0.000 1.064 282 R CB 0.669 30.930 30.300 -0.065 0.000 1.046 282 R HN 0.213 nan 8.270 nan 0.000 0.508 283 G N -0.646 108.116 108.800 -0.064 0.000 2.408 283 G HA2 -0.119 3.848 3.960 0.012 0.000 0.204 283 G HA3 -0.119 3.848 3.960 0.012 0.000 0.204 283 G C -0.189 174.660 174.900 -0.085 0.000 1.186 283 G CA -0.592 44.469 45.100 -0.065 0.000 1.139 283 G HN 0.468 nan 8.290 nan 0.000 0.563 284 G N -1.993 106.748 108.800 -0.098 0.000 3.176 284 G HA2 0.634 4.601 3.960 0.012 0.000 0.272 284 G HA3 0.634 4.601 3.960 0.012 0.000 0.272 284 G C -1.577 173.197 174.900 -0.209 0.000 1.349 284 G CA -0.692 44.350 45.100 -0.097 0.000 0.953 284 G HN 0.772 nan 8.290 nan 0.000 0.559 285 Y N 1.046 121.356 120.300 0.017 0.000 2.556 285 Y HA 0.429 4.986 4.550 0.011 0.000 0.352 285 Y C 1.373 177.295 175.900 0.037 0.000 1.006 285 Y CA 0.153 58.267 58.100 0.024 0.000 1.277 285 Y CB 1.604 40.085 38.460 0.034 0.000 1.136 285 Y HN 0.523 nan 8.280 nan 0.000 0.523 286 A N 1.650 124.522 122.820 0.086 0.000 2.206 286 A HA -0.075 4.252 4.320 0.012 0.000 0.211 286 A C 1.153 178.792 177.584 0.091 0.000 1.158 286 A CA 0.914 52.995 52.037 0.075 0.000 0.761 286 A CB -0.244 18.759 19.000 0.005 0.000 0.801 286 A HN 0.759 nan 8.150 nan 0.000 0.473 287 D N -0.719 119.749 120.400 0.113 0.000 2.424 287 D HA 0.148 4.795 4.640 0.012 0.000 0.220 287 D C 0.389 176.816 176.300 0.211 0.000 1.150 287 D CA -0.067 53.932 54.000 -0.002 0.000 0.831 287 D CB 0.022 40.798 40.800 -0.039 0.000 0.981 287 D HN 0.358 nan 8.370 nan 0.000 0.500 288 R N -0.562 120.166 120.500 0.380 0.000 2.837 288 R HA 0.744 5.091 4.340 0.012 0.000 0.271 288 R C -1.560 174.886 176.300 0.244 0.000 0.993 288 R CA -1.136 55.165 56.100 0.335 0.000 0.931 288 R CB 3.199 33.567 30.300 0.114 0.000 1.206 288 R HN -0.022 nan 8.270 nan 0.000 0.474 289 V N 0.591 120.514 119.914 0.016 0.000 2.932 289 V HA 0.490 4.617 4.120 0.012 0.000 0.307 289 V C -1.453 174.567 176.094 -0.124 0.000 1.147 289 V CA -0.279 61.931 62.300 -0.150 0.000 0.951 289 V CB 2.695 34.248 31.823 -0.450 0.000 1.031 289 V HN 0.806 nan 8.190 nan 0.000 0.426 290 T N 7.677 122.177 114.554 -0.090 0.000 2.786 290 T HA 0.579 4.936 4.350 0.012 0.000 0.283 290 T C -0.884 173.773 174.700 -0.072 0.000 0.992 290 T CA -0.378 61.682 62.100 -0.066 0.000 0.954 290 T CB 1.001 69.847 68.868 -0.037 0.000 0.934 290 T HN 0.417 nan 8.240 nan 0.000 0.440 291 L N 3.546 124.728 121.223 -0.069 0.000 2.322 291 L HA 0.578 4.926 4.340 0.012 0.000 0.279 291 L C 0.406 177.248 176.870 -0.046 0.000 1.036 291 L CA -0.417 54.384 54.840 -0.064 0.000 0.807 291 L CB 1.491 43.512 42.059 -0.064 0.000 1.226 291 L HN 0.552 nan 8.230 nan 0.000 0.433 292 R N 3.232 123.706 120.500 -0.044 0.000 2.409 292 R HA 0.605 4.952 4.340 0.012 0.000 0.313 292 R C -1.383 174.893 176.300 -0.039 0.000 0.953 292 R CA -0.883 55.192 56.100 -0.041 0.000 0.849 292 R CB 1.882 32.158 30.300 -0.040 0.000 1.171 292 R HN 0.236 nan 8.270 nan 0.000 0.458 293 L N 2.919 124.121 121.223 -0.035 0.000 2.333 293 L HA 0.365 4.713 4.340 0.012 0.000 0.280 293 L C -0.248 176.602 176.870 -0.034 0.000 1.004 293 L CA -0.572 54.248 54.840 -0.033 0.000 0.820 293 L CB 1.601 43.646 42.059 -0.022 0.000 1.247 293 L HN 0.459 nan 8.230 nan 0.000 0.416 294 N N 2.580 121.254 118.700 -0.044 0.000 2.472 294 N HA 0.442 5.189 4.740 0.012 0.000 0.277 294 N C -1.033 174.437 175.510 -0.067 0.000 1.081 294 N CA -0.202 52.817 53.050 -0.051 0.000 0.973 294 N CB 2.235 40.694 38.487 -0.048 0.000 1.105 294 N HN 0.208 nan 8.380 nan 0.000 0.470 295 V N 2.285 122.146 119.914 -0.088 0.000 2.443 295 V HA 0.205 4.332 4.120 0.012 0.000 0.293 295 V C -0.045 175.974 176.094 -0.125 0.000 1.021 295 V CA -0.879 61.331 62.300 -0.150 0.000 0.848 295 V CB 1.989 33.627 31.823 -0.308 0.000 0.998 295 V HN 0.462 nan 8.190 nan 0.000 0.424 296 E N 2.817 122.966 120.200 -0.085 0.000 2.283 296 E HA 0.299 4.656 4.350 0.012 0.000 0.278 296 E C 0.210 176.790 176.600 -0.033 0.000 1.027 296 E CA -0.376 55.998 56.400 -0.044 0.000 0.843 296 E CB 0.676 30.359 29.700 -0.028 0.000 1.062 296 E HN 0.743 nan 8.360 nan 0.000 0.401 297 N N 1.354 120.057 118.700 0.005 0.000 2.688 297 N HA -0.148 4.599 4.740 0.012 0.000 0.258 297 N C -2.490 173.029 175.510 0.015 0.000 1.016 297 N CA -0.001 53.067 53.050 0.030 0.000 0.747 297 N CB -0.815 37.687 38.487 0.025 0.000 0.895 297 N HN 0.293 nan 8.380 nan 0.000 0.543 298 P HA 0.026 nan 4.420 nan 0.000 0.272 298 P C -0.473 176.868 177.300 0.068 0.000 1.223 298 P CA 0.293 63.322 63.100 -0.118 0.000 0.784 298 P CB 0.736 32.196 31.700 -0.401 0.000 0.923 299 K N 2.461 122.980 120.400 0.198 0.000 2.312 299 K HA 0.315 4.642 4.320 0.012 0.000 0.287 299 K C 0.189 176.940 176.600 0.253 0.000 1.062 299 K CA -0.444 55.946 56.287 0.172 0.000 0.934 299 K CB 0.346 32.915 32.500 0.114 0.000 1.027 299 K HN 0.434 nan 8.250 nan 0.000 0.478 300 L N 2.184 123.479 121.223 0.120 0.000 2.418 300 L HA 0.329 4.676 4.340 0.012 0.000 0.265 300 L C -0.018 176.908 176.870 0.092 0.000 1.143 300 L CA -0.856 54.048 54.840 0.108 0.000 0.809 300 L CB 0.420 42.382 42.059 -0.161 0.000 1.124 300 L HN 0.594 nan 8.230 nan 0.000 0.456 301 W N 2.484 123.789 121.300 0.008 0.000 2.438 301 W HA 0.515 5.182 4.660 0.011 0.000 0.324 301 W C -0.088 176.363 176.519 -0.114 0.000 1.119 301 W CA 0.065 57.410 57.345 -0.001 0.000 1.221 301 W CB 1.419 30.936 29.460 0.095 0.000 1.253 301 W HN 0.609 nan 8.180 nan 0.000 0.555 302 S N 2.917 118.004 115.700 -1.021 0.000 2.611 302 S HA 0.610 5.087 4.470 0.012 0.000 0.268 302 S C 0.047 173.821 174.600 -1.377 0.000 1.156 302 S CA -0.350 57.302 58.200 -0.913 0.000 0.817 302 S CB 1.038 63.993 63.200 -0.409 0.000 1.122 302 S HN 1.046 nan 8.310 nan 0.000 0.466 303 A N 0.527 122.713 122.820 -1.056 0.000 2.015 303 A HA 0.066 4.393 4.320 0.012 0.000 0.219 303 A C 1.776 179.037 177.584 -0.540 0.000 1.163 303 A CA 1.508 52.969 52.037 -0.961 0.000 0.646 303 A CB -0.957 17.366 19.000 -1.128 0.000 0.806 303 A HN 0.876 nan 8.150 nan 0.000 0.448 304 E N -0.971 119.047 120.200 -0.304 0.000 2.072 304 E HA 0.014 4.372 4.350 0.012 0.000 0.191 304 E C -0.371 176.085 176.600 -0.239 0.000 0.985 304 E CA 0.758 57.042 56.400 -0.193 0.000 0.801 304 E CB 0.012 29.744 29.700 0.055 0.000 0.750 304 E HN 0.621 nan 8.360 nan 0.000 0.452 305 I N 1.205 121.601 120.570 -0.289 0.000 2.560 305 I HA 0.143 4.320 4.170 0.012 0.000 0.278 305 I C -2.528 173.355 176.117 -0.391 0.000 1.089 305 I CA -1.809 59.343 61.300 -0.247 0.000 1.086 305 I CB 2.363 40.268 38.000 -0.159 0.000 1.202 305 I HN -0.206 nan 8.210 nan 0.000 0.471 306 P HA 0.109 nan 4.420 nan 0.000 0.225 306 P C -0.681 176.601 177.300 -0.030 0.000 1.813 306 P CA -0.264 62.543 63.100 -0.489 0.000 1.013 306 P CB -0.197 31.373 31.700 -0.217 0.000 1.961 307 N N 1.915 120.614 118.700 -0.002 0.000 2.454 307 N HA 0.152 4.900 4.740 0.012 0.000 0.260 307 N C 0.117 175.843 175.510 0.361 0.000 1.218 307 N CA 0.424 53.550 53.050 0.126 0.000 0.904 307 N CB 0.799 39.353 38.487 0.112 0.000 1.065 307 N HN 0.316 nan 8.380 nan 0.000 0.462 308 L N 1.934 123.306 121.223 0.248 0.000 2.371 308 L HA 0.487 4.834 4.340 0.012 0.000 0.262 308 L C -0.907 176.090 176.870 0.212 0.000 1.006 308 L CA -0.841 54.203 54.840 0.339 0.000 0.818 308 L CB 1.394 43.605 42.059 0.253 0.000 1.354 308 L HN 0.395 nan 8.230 nan 0.000 0.415 309 Y N -0.001 120.453 120.300 0.256 0.000 2.650 309 Y HA 0.672 5.230 4.550 0.012 0.000 0.331 309 Y C -0.278 175.747 175.900 0.210 0.000 1.082 309 Y CA -0.843 57.404 58.100 0.245 0.000 1.171 309 Y CB 1.683 40.342 38.460 0.332 0.000 1.326 309 Y HN 0.374 nan 8.280 nan 0.000 0.513 310 R N 0.887 121.632 120.500 0.408 0.000 2.480 310 R HA 0.809 5.156 4.340 0.012 0.000 0.306 310 R C -1.682 174.809 176.300 0.319 0.000 0.958 310 R CA -0.514 55.752 56.100 0.278 0.000 0.861 310 R CB 1.198 31.589 30.300 0.153 0.000 1.171 310 R HN 0.737 nan 8.270 nan 0.000 0.445 311 A N 3.888 126.842 122.820 0.222 0.000 2.288 311 A HA 0.606 4.933 4.320 0.012 0.000 0.320 311 A C -1.048 176.603 177.584 0.112 0.000 1.217 311 A CA -0.643 51.506 52.037 0.187 0.000 0.840 311 A CB 1.272 20.354 19.000 0.135 0.000 1.179 311 A HN 0.490 nan 8.150 nan 0.000 0.504 312 V N 3.456 123.444 119.914 0.123 0.000 2.417 312 V HA 0.361 4.488 4.120 0.012 0.000 0.291 312 V C -0.338 175.737 176.094 -0.031 0.000 1.024 312 V CA -0.453 61.854 62.300 0.013 0.000 0.861 312 V CB 1.706 33.539 31.823 0.017 0.000 0.985 312 V HN 0.617 nan 8.190 nan 0.000 0.436 313 V N 4.984 124.813 119.914 -0.141 0.000 2.294 313 V HA 0.389 4.516 4.120 0.012 0.000 0.272 313 V C 0.032 176.066 176.094 -0.099 0.000 1.027 313 V CA -0.607 61.584 62.300 -0.183 0.000 0.823 313 V CB 0.831 32.381 31.823 -0.455 0.000 1.030 313 V HN 0.913 nan 8.190 nan 0.000 0.457 314 E N 3.642 123.841 120.200 -0.000 0.000 2.216 314 E HA 0.524 4.881 4.350 0.012 0.000 0.279 314 E C -0.838 175.854 176.600 0.154 0.000 0.997 314 E CA -0.831 55.616 56.400 0.077 0.000 0.817 314 E CB 2.426 32.194 29.700 0.113 0.000 1.096 314 E HN 0.484 nan 8.360 nan 0.000 0.393 315 L N 4.541 125.837 121.223 0.121 0.000 2.265 315 L HA 0.375 4.722 4.340 0.012 0.000 0.289 315 L C -1.050 175.924 176.870 0.173 0.000 1.033 315 L CA 0.093 54.995 54.840 0.104 0.000 0.814 315 L CB -0.010 42.095 42.059 0.076 0.000 1.203 315 L HN 0.677 nan 8.230 nan 0.000 0.423 316 H N 0.202 119.323 119.070 0.084 0.000 2.933 316 H HA 0.743 5.306 4.556 0.012 0.000 0.310 316 H C -0.639 174.767 175.328 0.131 0.000 1.351 316 H CA -0.538 55.560 56.048 0.083 0.000 1.137 316 H CB 0.562 30.351 29.762 0.046 0.000 1.853 316 H HN 0.477 nan 8.280 nan 0.000 0.539 317 T N -1.902 112.799 114.554 0.244 0.000 2.882 317 T HA 0.471 4.828 4.350 0.012 0.000 0.287 317 T C 1.436 176.302 174.700 0.276 0.000 1.014 317 T CA -0.293 61.941 62.100 0.224 0.000 1.049 317 T CB 1.370 70.287 68.868 0.081 0.000 1.001 317 T HN 0.917 nan 8.240 nan 0.000 0.525 318 A N 1.229 124.171 122.820 0.203 0.000 1.940 318 A HA -0.068 4.260 4.320 0.012 0.000 0.219 318 A C 1.854 179.538 177.584 0.166 0.000 1.176 318 A CA 1.475 53.623 52.037 0.185 0.000 0.631 318 A CB -0.865 18.213 19.000 0.130 0.000 0.814 318 A HN 0.873 nan 8.150 nan 0.000 0.446 319 D N -1.392 119.076 120.400 0.114 0.000 2.378 319 D HA 0.232 4.879 4.640 0.012 0.000 0.227 319 D C 1.322 177.653 176.300 0.053 0.000 1.012 319 D CA 1.229 55.265 54.000 0.061 0.000 0.905 319 D CB 0.077 40.889 40.800 0.021 0.000 0.895 319 D HN 0.647 nan 8.370 nan 0.000 0.532 320 G N -0.291 108.564 108.800 0.092 0.000 2.192 320 G HA2 -0.205 3.762 3.960 0.012 0.000 0.193 320 G HA3 -0.205 3.762 3.960 0.012 0.000 0.193 320 G C 0.369 175.285 174.900 0.026 0.000 0.999 320 G CA -0.157 44.962 45.100 0.031 0.000 0.659 320 G HN 0.241 nan 8.290 nan 0.000 0.503 321 T N 1.896 116.489 114.554 0.065 0.000 2.729 321 T HA 0.506 4.863 4.350 0.012 0.000 0.296 321 T C 0.287 175.044 174.700 0.094 0.000 0.928 321 T CA -0.207 61.921 62.100 0.048 0.000 1.045 321 T CB 1.746 70.626 68.868 0.020 0.000 0.902 321 T HN 0.555 nan 8.240 nan 0.000 0.500 322 L N 5.432 126.690 121.223 0.059 0.000 2.410 322 L HA 0.298 4.646 4.340 0.012 0.000 0.273 322 L C 0.944 177.859 176.870 0.075 0.000 1.144 322 L CA 0.387 55.278 54.840 0.085 0.000 0.863 322 L CB 0.011 42.093 42.059 0.038 0.000 1.140 322 L HN 0.682 nan 8.230 nan 0.000 0.463 323 I N 3.056 123.683 120.570 0.096 0.000 2.270 323 I HA 0.035 4.212 4.170 0.012 0.000 0.239 323 I C 0.443 176.582 176.117 0.036 0.000 1.080 323 I CA 0.759 62.096 61.300 0.061 0.000 1.383 323 I CB 0.029 38.069 38.000 0.067 0.000 1.097 323 I HN 0.809 nan 8.210 nan 0.000 0.420 324 E N 0.068 120.290 120.200 0.037 0.000 2.416 324 E HA 0.709 5.067 4.350 0.012 0.000 0.280 324 E C -1.486 175.133 176.600 0.030 0.000 1.055 324 E CA -1.091 55.322 56.400 0.021 0.000 0.825 324 E CB 1.842 31.522 29.700 -0.034 0.000 1.312 324 E HN 0.023 nan 8.360 nan 0.000 0.452 325 A N 1.280 124.142 122.820 0.069 0.000 2.393 325 A HA 0.658 4.985 4.320 0.012 0.000 0.306 325 A C -0.948 176.727 177.584 0.150 0.000 1.050 325 A CA -0.752 51.325 52.037 0.068 0.000 0.724 325 A CB 1.547 20.586 19.000 0.064 0.000 1.248 325 A HN 0.512 nan 8.150 nan 0.000 0.424 326 E N -0.108 120.100 120.200 0.014 0.000 2.299 326 E HA 0.843 5.200 4.350 0.012 0.000 0.260 326 E C -0.414 176.198 176.600 0.019 0.000 0.944 326 E CA -0.546 55.903 56.400 0.081 0.000 0.815 326 E CB 2.377 32.003 29.700 -0.124 0.000 1.252 326 E HN 1.134 nan 8.360 nan 0.000 0.418 327 A N -0.088 122.870 122.820 0.230 0.000 2.586 327 A HA 0.703 5.030 4.320 0.012 0.000 0.290 327 A C -1.217 176.567 177.584 0.334 0.000 1.086 327 A CA -0.419 51.703 52.037 0.141 0.000 0.665 327 A CB 0.814 19.817 19.000 0.005 0.000 1.279 327 A HN 0.864 nan 8.150 nan 0.000 0.423 328 C N -0.471 118.977 119.300 0.247 0.000 3.285 328 C HA 0.789 5.256 4.460 0.012 0.000 0.325 328 C C -1.452 173.637 174.990 0.165 0.000 1.304 328 C CA -0.915 58.246 59.018 0.238 0.000 1.319 328 C CB 1.064 28.962 27.740 0.262 0.000 1.640 328 C HN 0.823 nan 8.230 nan 0.000 0.477 329 D N 1.219 121.699 120.400 0.133 0.000 2.304 329 D HA 0.550 5.197 4.640 0.012 0.000 0.250 329 D C -0.299 176.062 176.300 0.102 0.000 1.107 329 D CA 0.196 54.278 54.000 0.136 0.000 0.885 329 D CB 1.840 42.719 40.800 0.131 0.000 1.192 329 D HN 0.569 nan 8.370 nan 0.000 0.436 330 V N 1.138 121.145 119.914 0.154 0.000 2.540 330 V HA 0.646 4.774 4.120 0.012 0.000 0.302 330 V C 0.595 176.783 176.094 0.157 0.000 1.035 330 V CA -0.920 61.422 62.300 0.070 0.000 0.873 330 V CB 2.053 33.899 31.823 0.038 0.000 0.992 330 V HN 0.599 nan 8.190 nan 0.000 0.428 331 G N 2.998 111.785 108.800 -0.022 0.000 2.437 331 G HA2 0.585 4.552 3.960 0.012 0.000 0.315 331 G HA3 0.585 4.552 3.960 0.012 0.000 0.315 331 G C -0.905 174.086 174.900 0.152 0.000 1.210 331 G CA -0.368 44.796 45.100 0.106 0.000 0.943 331 G HN 0.440 nan 8.290 nan 0.000 0.471 332 F N 4.213 124.353 119.950 0.317 0.000 2.462 332 F HA 0.394 4.928 4.527 0.011 0.000 0.360 332 F C 1.176 177.209 175.800 0.389 0.000 1.134 332 F CA 0.054 58.289 58.000 0.391 0.000 1.148 332 F CB 0.554 39.795 39.000 0.402 0.000 1.147 332 F HN 0.459 nan 8.300 nan 0.000 0.550 333 R N 3.202 123.973 120.500 0.451 0.000 2.664 333 R HA 0.396 4.743 4.340 0.012 0.000 0.266 333 R C -1.866 174.590 176.300 0.261 0.000 1.046 333 R CA -0.818 55.401 56.100 0.198 0.000 0.885 333 R CB 1.565 32.010 30.300 0.242 0.000 1.254 333 R HN 0.582 nan 8.270 nan 0.000 0.465 334 E N 2.148 122.419 120.200 0.119 0.000 2.199 334 E HA 0.490 4.848 4.350 0.012 0.000 0.269 334 E C -1.289 175.391 176.600 0.133 0.000 0.899 334 E CA -0.921 55.632 56.400 0.255 0.000 0.772 334 E CB 2.239 32.193 29.700 0.422 0.000 1.155 334 E HN 0.384 nan 8.360 nan 0.000 0.408 335 V N 5.380 125.363 119.914 0.115 0.000 2.409 335 V HA 0.558 4.685 4.120 0.012 0.000 0.291 335 V C -0.227 175.909 176.094 0.070 0.000 1.020 335 V CA -0.599 61.737 62.300 0.061 0.000 0.848 335 V CB 1.163 32.997 31.823 0.020 0.000 0.990 335 V HN 0.743 nan 8.190 nan 0.000 0.430 336 R N 4.536 125.074 120.500 0.064 0.000 2.680 336 R HA 0.714 5.061 4.340 0.012 0.000 0.269 336 R C -2.150 174.179 176.300 0.048 0.000 1.026 336 R CA -0.891 55.248 56.100 0.066 0.000 0.889 336 R CB 1.963 32.318 30.300 0.090 0.000 1.241 336 R HN 0.529 nan 8.270 nan 0.000 0.463 337 I N 1.521 122.118 120.570 0.046 0.000 2.378 337 I HA 0.355 4.532 4.170 0.012 0.000 0.291 337 I C -0.695 175.446 176.117 0.039 0.000 0.992 337 I CA -0.508 60.813 61.300 0.035 0.000 1.154 337 I CB 1.963 39.984 38.000 0.034 0.000 1.315 337 I HN 0.741 nan 8.210 nan 0.000 0.448 338 E N 5.866 126.086 120.200 0.034 0.000 2.290 338 E HA 0.261 4.618 4.350 0.012 0.000 0.274 338 E C -0.226 176.390 176.600 0.026 0.000 0.889 338 E CA -0.532 55.889 56.400 0.035 0.000 0.760 338 E CB 1.084 30.811 29.700 0.045 0.000 1.206 338 E HN 0.526 nan 8.360 nan 0.000 0.419 339 N N 3.149 121.864 118.700 0.025 0.000 2.725 339 N HA -0.237 4.510 4.740 0.012 0.000 0.249 339 N C 0.499 176.017 175.510 0.014 0.000 1.103 339 N CA 2.265 55.326 53.050 0.019 0.000 0.707 339 N CB -1.157 37.340 38.487 0.017 0.000 1.043 339 N HN 1.042 nan 8.380 nan 0.000 0.553 340 G N -2.452 106.357 108.800 0.014 0.000 2.175 340 G HA2 -0.266 3.701 3.960 0.012 0.000 0.244 340 G HA3 -0.266 3.701 3.960 0.012 0.000 0.244 340 G C -0.114 174.783 174.900 -0.005 0.000 0.982 340 G CA 0.368 45.472 45.100 0.007 0.000 0.641 340 G HN 0.431 nan 8.290 nan 0.000 0.527 341 L N 0.331 121.552 121.223 -0.003 0.000 2.346 341 L HA 0.708 5.055 4.340 0.012 0.000 0.274 341 L C 0.042 176.904 176.870 -0.014 0.000 1.007 341 L CA -1.308 53.522 54.840 -0.017 0.000 0.818 341 L CB 1.856 43.906 42.059 -0.015 0.000 1.284 341 L HN 0.106 nan 8.230 nan 0.000 0.424 342 L N 4.677 125.880 121.223 -0.035 0.000 2.283 342 L HA 0.438 4.785 4.340 0.012 0.000 0.287 342 L C -0.833 176.014 176.870 -0.038 0.000 1.073 342 L CA 0.370 55.189 54.840 -0.035 0.000 0.822 342 L CB 0.277 42.300 42.059 -0.061 0.000 1.186 342 L HN 0.380 nan 8.230 nan 0.000 0.436 343 L N 5.887 127.106 121.223 -0.008 0.000 2.334 343 L HA 0.550 4.898 4.340 0.012 0.000 0.276 343 L C -0.797 176.082 176.870 0.015 0.000 1.014 343 L CA -0.839 54.006 54.840 0.009 0.000 0.815 343 L CB 1.941 44.028 42.059 0.048 0.000 1.268 343 L HN 0.546 nan 8.230 nan 0.000 0.428 344 L N 3.705 124.947 121.223 0.032 0.000 2.349 344 L HA 0.485 4.832 4.340 0.012 0.000 0.278 344 L C -0.193 176.689 176.870 0.020 0.000 0.996 344 L CA -0.047 54.818 54.840 0.041 0.000 0.825 344 L CB 1.001 43.103 42.059 0.072 0.000 1.243 344 L HN 0.598 nan 8.230 nan 0.000 0.412 345 N N 4.047 122.615 118.700 -0.220 0.000 2.721 345 N HA -0.217 4.531 4.740 0.012 0.000 0.249 345 N C 0.911 176.078 175.510 -0.570 0.000 1.072 345 N CA 1.362 53.935 53.050 -0.794 0.000 0.710 345 N CB -1.322 36.611 38.487 -0.924 0.000 0.993 345 N HN 1.179 nan 8.380 nan 0.000 0.547 346 G N -2.222 106.543 108.800 -0.058 0.000 2.184 346 G HA2 -0.357 3.610 3.960 0.012 0.000 0.264 346 G HA3 -0.357 3.610 3.960 0.012 0.000 0.264 346 G C -0.022 174.925 174.900 0.078 0.000 0.975 346 G CA 0.960 46.139 45.100 0.133 0.000 0.642 346 G HN 0.412 nan 8.290 nan 0.000 0.536 347 K N 0.408 120.842 120.400 0.057 0.000 2.259 347 K HA 0.587 4.914 4.320 0.012 0.000 0.249 347 K C -2.838 173.747 176.600 -0.024 0.000 0.942 347 K CA -2.367 53.917 56.287 -0.005 0.000 0.816 347 K CB 2.291 34.724 32.500 -0.110 0.000 1.155 347 K HN -0.003 nan 8.250 nan 0.000 0.428 348 P HA 0.251 nan 4.420 nan 0.000 0.282 348 P C -0.155 177.087 177.300 -0.097 0.000 1.274 348 P CA -0.275 62.786 63.100 -0.066 0.000 0.770 348 P CB 0.475 32.137 31.700 -0.063 0.000 0.867 349 L N 3.274 124.434 121.223 -0.105 0.000 2.466 349 L HA 0.333 4.680 4.340 0.012 0.000 0.257 349 L C 0.551 177.337 176.870 -0.139 0.000 1.189 349 L CA -0.620 54.145 54.840 -0.125 0.000 0.813 349 L CB 0.321 42.264 42.059 -0.194 0.000 1.118 349 L HN 0.240 nan 8.230 nan 0.000 0.471 350 L N 3.251 124.407 121.223 -0.113 0.000 2.427 350 L HA 0.415 4.762 4.340 0.012 0.000 0.264 350 L C -0.564 176.248 176.870 -0.096 0.000 0.989 350 L CA -0.233 54.521 54.840 -0.144 0.000 0.865 350 L CB 0.867 42.868 42.059 -0.096 0.000 1.209 350 L HN 0.246 nan 8.230 nan 0.000 0.430 351 I N 4.925 125.368 120.570 -0.211 0.000 2.421 351 I HA 0.171 4.349 4.170 0.012 0.000 0.291 351 I C 0.611 176.685 176.117 -0.072 0.000 1.089 351 I CA 0.207 61.400 61.300 -0.179 0.000 1.354 351 I CB 0.268 38.037 38.000 -0.385 0.000 1.413 351 I HN 0.548 nan 8.210 nan 0.000 0.513 352 R N 4.855 125.399 120.500 0.073 0.000 2.825 352 R HA 0.408 4.755 4.340 0.012 0.000 0.261 352 R C 0.563 176.978 176.300 0.191 0.000 1.341 352 R CA -0.256 55.930 56.100 0.143 0.000 1.353 352 R CB 0.732 30.935 30.300 -0.162 0.000 1.191 352 R HN 0.763 nan 8.270 nan 0.000 0.590 353 G N 0.218 109.095 108.800 0.128 0.000 2.552 353 G HA2 0.580 4.547 3.960 0.012 0.000 0.324 353 G HA3 0.580 4.547 3.960 0.012 0.000 0.324 353 G C -1.254 173.956 174.900 0.515 0.000 1.217 353 G CA -0.429 44.741 45.100 0.116 0.000 0.989 353 G HN 0.255 nan 8.290 nan 0.000 0.490 354 V N -0.139 120.036 119.914 0.436 0.000 3.012 354 V HA 0.467 4.594 4.120 0.012 0.000 0.307 354 V C -1.211 174.983 176.094 0.167 0.000 1.166 354 V CA -1.210 61.206 62.300 0.194 0.000 0.974 354 V CB 2.250 33.863 31.823 -0.350 0.000 1.040 354 V HN 0.761 nan 8.190 nan 0.000 0.428 355 N N 4.241 122.951 118.700 0.017 0.000 2.499 355 N HA 0.444 5.191 4.740 0.012 0.000 0.281 355 N C -0.786 174.481 175.510 -0.405 0.000 1.098 355 N CA -0.323 52.600 53.050 -0.211 0.000 0.979 355 N CB 1.535 39.858 38.487 -0.274 0.000 1.121 355 N HN 0.634 nan 8.380 nan 0.000 0.466 356 R N 2.368 122.604 120.500 -0.441 0.000 2.483 356 R HA 0.220 4.567 4.340 0.012 0.000 0.303 356 R C -0.924 175.090 176.300 -0.477 0.000 0.987 356 R CA -0.555 55.299 56.100 -0.410 0.000 0.881 356 R CB 0.802 30.857 30.300 -0.408 0.000 1.177 356 R HN 0.581 nan 8.270 nan 0.000 0.451 357 H N 2.183 121.081 119.070 -0.285 0.000 2.546 357 H HA 0.137 4.701 4.556 0.012 0.000 0.365 357 H C -0.487 174.825 175.328 -0.026 0.000 1.220 357 H CA 0.117 56.103 56.048 -0.103 0.000 1.386 357 H CB 1.412 31.172 29.762 -0.003 0.000 1.510 357 H HN 0.568 nan 8.280 nan 0.000 0.591 358 E N 1.772 122.160 120.200 0.312 0.000 2.014 358 E HA 0.118 4.475 4.350 0.012 0.000 0.275 358 E C -0.770 175.962 176.600 0.221 0.000 0.997 358 E CA -0.143 56.348 56.400 0.153 0.000 0.804 358 E CB 0.447 30.253 29.700 0.178 0.000 1.090 358 E HN 0.374 nan 8.360 nan 0.000 0.401 359 H N 1.781 120.901 119.070 0.083 0.000 2.771 359 H HA 0.287 4.850 4.556 0.012 0.000 0.361 359 H C -1.652 173.718 175.328 0.070 0.000 1.108 359 H CA -0.631 55.459 56.048 0.069 0.000 1.201 359 H CB 1.097 30.884 29.762 0.042 0.000 1.681 359 H HN 0.413 nan 8.280 nan 0.000 0.534 360 H N 6.076 124.739 119.070 -0.678 0.000 2.782 360 H HA 0.208 4.771 4.556 0.012 0.000 0.347 360 H C -2.322 172.623 175.328 -0.638 0.000 1.038 360 H CA -2.317 53.470 56.048 -0.436 0.000 1.255 360 H CB 2.739 32.386 29.762 -0.191 0.000 1.623 360 H HN 0.537 nan 8.280 nan 0.000 0.525 361 P HA -0.070 nan 4.420 nan 0.000 0.222 361 P C 1.143 178.306 177.300 -0.229 0.000 1.147 361 P CA 0.799 63.691 63.100 -0.347 0.000 0.790 361 P CB 0.789 32.335 31.700 -0.256 0.000 0.780 362 L N -1.869 119.321 121.223 -0.055 0.000 2.445 362 L HA 0.128 4.475 4.340 0.012 0.000 0.207 362 L C 2.237 178.972 176.870 -0.225 0.000 1.053 362 L CA 0.543 55.278 54.840 -0.176 0.000 0.841 362 L CB -0.652 41.128 42.059 -0.464 0.000 1.074 362 L HN -0.022 nan 8.230 nan 0.000 0.479 363 H N 0.084 119.207 119.070 0.088 0.000 2.551 363 H HA 0.297 4.860 4.556 0.012 0.000 0.271 363 H C 1.390 176.627 175.328 -0.151 0.000 0.984 363 H CA 0.534 56.488 56.048 -0.156 0.000 1.164 363 H CB 0.256 29.793 29.762 -0.375 0.000 1.437 363 H HN 0.379 nan 8.280 nan 0.000 0.550 364 G N 1.506 110.239 108.800 -0.113 0.000 2.557 364 G HA2 -0.370 3.597 3.960 0.012 0.000 0.292 364 G HA3 -0.370 3.597 3.960 0.012 0.000 0.292 364 G C 0.758 175.587 174.900 -0.118 0.000 1.162 364 G CA 0.398 45.377 45.100 -0.202 0.000 0.964 364 G HN 0.445 nan 8.290 nan 0.000 0.541 365 Q N -0.006 119.740 119.800 -0.089 0.000 2.220 365 Q HA 0.484 4.831 4.340 0.012 0.000 0.205 365 Q C 0.369 176.460 176.000 0.151 0.000 0.865 365 Q CA -0.172 55.621 55.803 -0.016 0.000 0.960 365 Q CB 1.121 29.734 28.738 -0.207 0.000 1.097 365 Q HN 0.361 nan 8.270 nan 0.000 0.493 366 V N 1.951 121.935 119.914 0.116 0.000 2.530 366 V HA 0.166 4.293 4.120 0.012 0.000 0.282 366 V C 0.189 176.332 176.094 0.082 0.000 1.048 366 V CA 0.168 62.545 62.300 0.129 0.000 0.997 366 V CB 1.034 32.870 31.823 0.022 0.000 0.987 366 V HN 0.328 nan 8.190 nan 0.000 0.477 367 M N 4.564 124.213 119.600 0.081 0.000 2.537 367 M HA 0.508 4.995 4.480 0.012 0.000 0.324 367 M C -0.575 175.672 176.300 -0.087 0.000 1.187 367 M CA -0.627 54.673 55.300 0.001 0.000 0.993 367 M CB 1.674 34.239 32.600 -0.060 0.000 1.666 367 M HN 0.938 nan 8.290 nan 0.000 0.461 368 D N -1.497 118.859 120.400 -0.072 0.000 2.645 368 D HA 0.249 4.896 4.640 0.012 0.000 0.228 368 D C 0.335 176.612 176.300 -0.038 0.000 1.148 368 D CA -0.690 53.270 54.000 -0.067 0.000 0.860 368 D CB 1.479 42.265 40.800 -0.023 0.000 1.548 368 D HN 0.696 nan 8.370 nan 0.000 0.460 369 E N 0.319 120.507 120.200 -0.020 0.000 2.085 369 E HA -0.337 4.021 4.350 0.012 0.000 0.194 369 E C 1.580 178.221 176.600 0.068 0.000 0.994 369 E CA 1.383 57.800 56.400 0.030 0.000 0.801 369 E CB 0.130 29.863 29.700 0.055 0.000 0.743 369 E HN 0.625 nan 8.360 nan 0.000 0.453 370 Q N -0.504 119.338 119.800 0.070 0.000 2.084 370 Q HA -0.134 4.213 4.340 0.012 0.000 0.202 370 Q C 2.054 178.115 176.000 0.101 0.000 0.978 370 Q CA 2.030 57.885 55.803 0.087 0.000 0.844 370 Q CB 0.067 28.858 28.738 0.088 0.000 0.898 370 Q HN 0.311 nan 8.270 nan 0.000 0.426 371 T N 0.720 115.343 114.554 0.115 0.000 2.708 371 T HA -0.152 4.205 4.350 0.012 0.000 0.266 371 T C 1.786 176.568 174.700 0.136 0.000 1.037 371 T CA 1.485 63.668 62.100 0.139 0.000 1.146 371 T CB -0.146 68.831 68.868 0.181 0.000 0.865 371 T HN 0.295 nan 8.240 nan 0.000 0.435 372 M N 0.567 120.249 119.600 0.136 0.000 2.117 372 M HA -0.088 4.399 4.480 0.012 0.000 0.262 372 M C 2.467 178.870 176.300 0.172 0.000 1.065 372 M CA 1.225 56.671 55.300 0.244 0.000 1.114 372 M CB -0.660 32.126 32.600 0.309 0.000 1.361 372 M HN 0.085 nan 8.290 nan 0.000 0.408 373 V N 0.410 120.371 119.914 0.078 0.000 2.343 373 V HA -0.298 3.829 4.120 0.012 0.000 0.247 373 V C 2.388 178.457 176.094 -0.040 0.000 1.051 373 V CA 2.154 64.433 62.300 -0.036 0.000 1.036 373 V CB -0.833 31.008 31.823 0.030 0.000 0.654 373 V HN 0.571 nan 8.190 nan 0.000 0.451 374 Q N -0.322 119.511 119.800 0.055 0.000 2.096 374 Q HA -0.272 4.075 4.340 0.012 0.000 0.204 374 Q C 1.924 177.999 176.000 0.126 0.000 0.982 374 Q CA 2.163 58.019 55.803 0.088 0.000 0.850 374 Q CB -0.151 28.655 28.738 0.114 0.000 0.901 374 Q HN 0.605 nan 8.270 nan 0.000 0.422 375 D N 0.364 120.856 120.400 0.153 0.000 2.117 375 D HA -0.126 4.521 4.640 0.012 0.000 0.197 375 D C 1.912 178.186 176.300 -0.044 0.000 0.987 375 D CA 1.092 55.194 54.000 0.171 0.000 0.829 375 D CB -0.144 40.732 40.800 0.126 0.000 0.961 375 D HN 0.361 nan 8.370 nan 0.000 0.460 376 I N 0.586 121.105 120.570 -0.085 0.000 2.226 376 I HA -0.223 3.954 4.170 0.012 0.000 0.245 376 I C 2.401 178.390 176.117 -0.213 0.000 1.100 376 I CA 0.529 61.675 61.300 -0.257 0.000 1.374 376 I CB -0.063 37.646 38.000 -0.485 0.000 1.057 376 I HN 0.002 nan 8.210 nan 0.000 0.413 377 L N 0.089 121.227 121.223 -0.142 0.000 1.989 377 L HA -0.256 4.091 4.340 0.012 0.000 0.211 377 L C 2.572 179.519 176.870 0.127 0.000 1.071 377 L CA 1.560 56.408 54.840 0.013 0.000 0.749 377 L CB -0.624 41.467 42.059 0.053 0.000 0.890 377 L HN 0.280 nan 8.230 nan 0.000 0.431 378 L N -1.026 120.300 121.223 0.171 0.000 2.079 378 L HA -0.261 4.087 4.340 0.012 0.000 0.210 378 L C 2.686 179.750 176.870 0.323 0.000 1.081 378 L CA 1.353 56.381 54.840 0.314 0.000 0.752 378 L CB -0.299 42.056 42.059 0.494 0.000 0.896 378 L HN 0.301 nan 8.230 nan 0.000 0.433 379 M N -0.615 119.002 119.600 0.028 0.000 2.067 379 M HA -0.246 4.241 4.480 0.012 0.000 0.260 379 M C 2.280 178.676 176.300 0.159 0.000 1.069 379 M CA 1.916 57.168 55.300 -0.081 0.000 1.117 379 M CB -0.346 31.964 32.600 -0.484 0.000 1.334 379 M HN 0.053 nan 8.290 nan 0.000 0.407 380 K N -0.083 120.310 120.400 -0.011 0.000 2.097 380 K HA -0.166 4.161 4.320 0.012 0.000 0.205 380 K C 1.988 178.589 176.600 0.003 0.000 1.050 380 K CA 1.251 57.441 56.287 -0.162 0.000 0.938 380 K CB -0.220 31.978 32.500 -0.503 0.000 0.718 380 K HN 0.429 nan 8.250 nan 0.000 0.442 381 Q N 0.460 120.422 119.800 0.271 0.000 2.291 381 Q HA -0.052 4.295 4.340 0.012 0.000 0.206 381 Q C 0.797 177.098 176.000 0.501 0.000 0.976 381 Q CA 0.810 56.884 55.803 0.452 0.000 0.875 381 Q CB 0.120 29.096 28.738 0.397 0.000 0.927 381 Q HN 0.267 nan 8.270 nan 0.000 0.450 382 N N 0.634 119.576 118.700 0.403 0.000 2.320 382 N HA 0.052 4.799 4.740 0.012 0.000 0.237 382 N C -0.645 174.960 175.510 0.158 0.000 1.129 382 N CA 0.044 53.317 53.050 0.371 0.000 0.854 382 N CB 0.672 39.452 38.487 0.488 0.000 1.083 382 N HN 0.175 nan 8.380 nan 0.000 0.504 383 N N 0.075 118.874 118.700 0.165 0.000 2.782 383 N HA -0.189 4.558 4.740 0.012 0.000 0.251 383 N C -0.774 174.633 175.510 -0.172 0.000 1.101 383 N CA 0.756 53.847 53.050 0.069 0.000 0.764 383 N CB -1.769 36.692 38.487 -0.043 0.000 1.122 383 N HN 0.252 nan 8.380 nan 0.000 0.561 384 F N 1.269 121.242 119.950 0.039 0.000 2.399 384 F HA 0.261 4.795 4.527 0.012 0.000 0.342 384 F C 1.807 177.606 175.800 -0.001 0.000 1.106 384 F CA -0.421 57.581 58.000 0.005 0.000 1.196 384 F CB 0.740 39.713 39.000 -0.045 0.000 1.163 384 F HN 0.060 nan 8.300 nan 0.000 0.547 385 N N 0.633 119.442 118.700 0.182 0.000 2.159 385 N HA 0.422 5.170 4.740 0.012 0.000 0.217 385 N C -0.797 174.771 175.510 0.097 0.000 1.223 385 N CA -0.013 53.084 53.050 0.078 0.000 0.896 385 N CB 0.722 39.300 38.487 0.151 0.000 1.064 385 N HN 0.453 nan 8.380 nan 0.000 0.518 386 A N -0.466 122.488 122.820 0.223 0.000 2.572 386 A HA 0.771 5.098 4.320 0.012 0.000 0.295 386 A C -1.697 176.121 177.584 0.390 0.000 1.072 386 A CA -0.732 51.501 52.037 0.328 0.000 0.691 386 A CB 1.882 21.107 19.000 0.376 0.000 1.291 386 A HN 0.202 nan 8.150 nan 0.000 0.404 387 V N 1.081 121.269 119.914 0.456 0.000 2.841 387 V HA 0.814 4.941 4.120 0.012 0.000 0.310 387 V C -0.663 175.539 176.094 0.181 0.000 1.090 387 V CA -0.723 61.785 62.300 0.346 0.000 0.930 387 V CB 1.921 33.872 31.823 0.214 0.000 1.014 387 V HN 1.127 nan 8.190 nan 0.000 0.425 388 R N 4.593 125.010 120.500 -0.138 0.000 2.445 388 R HA 0.496 4.843 4.340 0.012 0.000 0.308 388 R C -0.681 175.439 176.300 -0.300 0.000 0.961 388 R CA -0.473 55.369 56.100 -0.430 0.000 0.862 388 R CB 1.274 31.129 30.300 -0.741 0.000 1.144 388 R HN 0.811 nan 8.270 nan 0.000 0.447 389 C N 4.301 123.458 119.300 -0.238 0.000 3.424 389 C HA 0.110 4.577 4.460 0.012 0.000 0.577 389 C C 0.493 175.171 174.990 -0.519 0.000 1.086 389 C CA -0.406 58.423 59.018 -0.315 0.000 1.153 389 C CB -2.205 25.470 27.740 -0.108 0.000 1.411 389 C HN 0.726 nan 8.230 nan 0.000 0.636 390 S N 1.150 116.432 115.700 -0.697 0.000 2.498 390 S HA 0.129 4.606 4.470 0.012 0.000 0.281 390 S C -0.107 173.594 174.600 -1.499 0.000 1.265 390 S CA 0.251 57.796 58.200 -1.092 0.000 1.071 390 S CB 0.142 62.620 63.200 -1.203 0.000 0.894 390 S HN 0.718 nan 8.310 nan 0.000 0.491 391 H N 3.810 122.292 119.070 -0.981 0.000 2.379 391 H HA 0.342 4.905 4.556 0.012 0.000 0.229 391 H C -1.118 174.124 175.328 -0.144 0.000 1.423 391 H CA -0.338 55.521 56.048 -0.315 0.000 1.375 391 H CB -0.171 29.613 29.762 0.036 0.000 1.592 391 H HN 0.898 nan 8.280 nan 0.000 0.507 392 Y N -2.737 117.665 120.300 0.170 0.000 2.765 392 Y HA 0.357 4.915 4.550 0.012 0.000 0.350 392 Y C -3.340 172.663 175.900 0.172 0.000 1.196 392 Y CA -2.900 55.308 58.100 0.180 0.000 1.119 392 Y CB 0.005 38.578 38.460 0.188 0.000 1.368 392 Y HN -0.063 nan 8.280 nan 0.000 0.463 393 P HA 0.169 nan 4.420 nan 0.000 0.268 393 P C -0.638 176.949 177.300 0.479 0.000 1.205 393 P CA 0.139 63.484 63.100 0.409 0.000 0.771 393 P CB 0.587 32.464 31.700 0.294 0.000 0.858 394 N N 0.408 119.391 118.700 0.471 0.000 2.448 394 N HA 0.097 4.844 4.740 0.012 0.000 0.274 394 N C 0.113 175.859 175.510 0.394 0.000 1.239 394 N CA -0.614 52.636 53.050 0.333 0.000 0.982 394 N CB 0.340 38.816 38.487 -0.018 0.000 1.199 394 N HN 0.596 nan 8.380 nan 0.000 0.576 395 H N 2.100 121.277 119.070 0.178 0.000 3.038 395 H HA -0.011 4.553 4.556 0.012 0.000 0.338 395 H C -1.622 173.879 175.328 0.288 0.000 1.041 395 H CA -0.636 55.507 56.048 0.159 0.000 1.394 395 H CB 1.010 30.832 29.762 0.101 0.000 1.357 395 H HN 0.430 nan 8.280 nan 0.000 0.600 396 P HA -0.190 nan 4.420 nan 0.000 0.218 396 P C 1.800 179.408 177.300 0.514 0.000 1.148 396 P CA 0.598 63.932 63.100 0.390 0.000 0.822 396 P CB 0.252 32.034 31.700 0.137 0.000 0.784 397 L N -0.823 120.780 121.223 0.633 0.000 2.191 397 L HA -0.047 4.301 4.340 0.012 0.000 0.212 397 L C 2.386 179.442 176.870 0.311 0.000 1.103 397 L CA 1.305 56.399 54.840 0.423 0.000 0.769 397 L CB -1.517 40.751 42.059 0.348 0.000 0.908 397 L HN 0.028 nan 8.230 nan 0.000 0.438 398 W N -0.456 120.891 121.300 0.078 0.000 2.321 398 W HA -0.356 4.311 4.660 0.011 0.000 0.306 398 W C 2.049 178.425 176.519 -0.239 0.000 1.217 398 W CA 2.027 59.271 57.345 -0.169 0.000 1.257 398 W CB -0.359 28.887 29.460 -0.356 0.000 1.145 398 W HN 0.283 nan 8.180 nan 0.000 0.509 399 Y N 0.744 120.979 120.300 -0.108 0.000 2.200 399 Y HA -0.207 4.350 4.550 0.012 0.000 0.290 399 Y C 2.862 178.565 175.900 -0.329 0.000 1.137 399 Y CA 2.155 59.983 58.100 -0.454 0.000 1.163 399 Y CB -1.325 36.525 38.460 -1.016 0.000 0.988 399 Y HN -0.225 nan 8.280 nan 0.000 0.518 400 T N 0.837 115.435 114.554 0.073 0.000 2.720 400 T HA -0.177 4.180 4.350 0.012 0.000 0.268 400 T C 1.986 176.739 174.700 0.087 0.000 1.037 400 T CA 1.548 63.759 62.100 0.186 0.000 1.144 400 T CB -0.581 68.432 68.868 0.243 0.000 0.864 400 T HN 0.239 nan 8.240 nan 0.000 0.444 401 L N 0.281 121.506 121.223 0.003 0.000 2.056 401 L HA -0.076 4.272 4.340 0.012 0.000 0.207 401 L C 2.884 179.724 176.870 -0.050 0.000 1.078 401 L CA 0.873 55.727 54.840 0.023 0.000 0.749 401 L CB -0.731 41.290 42.059 -0.063 0.000 0.901 401 L HN 0.361 nan 8.230 nan 0.000 0.433 402 C N -0.159 118.938 119.300 -0.338 0.000 2.435 402 C HA -0.133 4.334 4.460 0.012 0.000 0.279 402 C C 2.398 177.423 174.990 0.058 0.000 1.321 402 C CA 0.402 59.259 59.018 -0.269 0.000 1.752 402 C CB -0.795 26.677 27.740 -0.446 0.000 1.959 402 C HN 0.536 nan 8.230 nan 0.000 0.500 403 D N 0.493 120.937 120.400 0.073 0.000 2.117 403 D HA -0.092 4.555 4.640 0.012 0.000 0.197 403 D C 2.393 178.898 176.300 0.342 0.000 0.987 403 D CA 1.161 55.278 54.000 0.195 0.000 0.829 403 D CB -0.329 40.550 40.800 0.132 0.000 0.961 403 D HN 0.521 nan 8.370 nan 0.000 0.460 404 R N -1.004 119.603 120.500 0.178 0.000 2.100 404 R HA 0.013 4.360 4.340 0.012 0.000 0.220 404 R C 2.047 178.340 176.300 -0.011 0.000 1.091 404 R CA 0.594 56.740 56.100 0.077 0.000 0.986 404 R CB -0.132 30.137 30.300 -0.051 0.000 0.888 404 R HN 0.277 nan 8.270 nan 0.000 0.444 405 Y N -0.199 120.116 120.300 0.025 0.000 2.448 405 Y HA 0.190 4.747 4.550 0.012 0.000 0.289 405 Y C 0.986 176.824 175.900 -0.104 0.000 1.114 405 Y CA 0.743 58.829 58.100 -0.023 0.000 1.235 405 Y CB 0.665 39.084 38.460 -0.068 0.000 1.045 405 Y HN 0.215 nan 8.280 nan 0.000 0.554 406 G N 1.166 110.018 108.800 0.086 0.000 2.830 406 G HA2 -0.132 3.835 3.960 0.012 0.000 0.298 406 G HA3 -0.132 3.835 3.960 0.012 0.000 0.298 406 G C -1.217 173.546 174.900 -0.228 0.000 1.031 406 G CA -0.592 44.443 45.100 -0.110 0.000 1.179 406 G HN 0.163 nan 8.290 nan 0.000 0.527 407 L N 1.058 122.219 121.223 -0.104 0.000 2.472 407 L HA 0.511 4.859 4.340 0.012 0.000 0.260 407 L C -0.044 176.844 176.870 0.030 0.000 0.963 407 L CA -1.265 53.471 54.840 -0.174 0.000 0.829 407 L CB 2.081 44.064 42.059 -0.127 0.000 1.348 407 L HN 0.494 nan 8.230 nan 0.000 0.408 408 Y N 1.648 122.091 120.300 0.239 0.000 2.319 408 Y HA 0.442 5.000 4.550 0.014 0.000 0.328 408 Y C 0.137 176.166 175.900 0.215 0.000 1.133 408 Y CA -0.762 57.506 58.100 0.280 0.000 1.265 408 Y CB 1.522 40.122 38.460 0.234 0.000 1.218 408 Y HN 0.157 nan 8.280 nan 0.000 0.508 409 V N 4.017 124.119 119.914 0.314 0.000 2.680 409 V HA 0.334 4.461 4.120 0.012 0.000 0.309 409 V C -0.681 175.489 176.094 0.127 0.000 1.052 409 V CA -1.000 61.425 62.300 0.208 0.000 0.908 409 V CB 2.060 33.973 31.823 0.150 0.000 1.001 409 V HN 0.433 nan 8.190 nan 0.000 0.431 410 V N 2.892 122.842 119.914 0.060 0.000 2.328 410 V HA 0.344 4.471 4.120 0.012 0.000 0.278 410 V C -0.386 175.730 176.094 0.037 0.000 1.021 410 V CA -0.403 61.885 62.300 -0.019 0.000 0.838 410 V CB 1.470 33.180 31.823 -0.189 0.000 0.999 410 V HN 0.862 nan 8.190 nan 0.000 0.447 411 D N 4.210 124.673 120.400 0.104 0.000 2.280 411 D HA 0.286 4.933 4.640 0.012 0.000 0.243 411 D C -0.197 176.287 176.300 0.306 0.000 1.129 411 D CA -0.011 54.149 54.000 0.267 0.000 0.848 411 D CB 1.230 42.235 40.800 0.342 0.000 1.107 411 D HN 0.681 nan 8.370 nan 0.000 0.471 412 E N 1.858 122.199 120.200 0.236 0.000 2.187 412 E HA 0.604 4.961 4.350 0.012 0.000 0.268 412 E C -0.945 175.788 176.600 0.221 0.000 0.896 412 E CA -1.046 55.480 56.400 0.210 0.000 0.766 412 E CB 1.310 31.085 29.700 0.125 0.000 1.142 412 E HN 0.462 nan 8.360 nan 0.000 0.408 413 A N 3.951 126.896 122.820 0.209 0.000 2.498 413 A HA 0.028 4.355 4.320 0.012 0.000 0.239 413 A C 0.305 178.012 177.584 0.206 0.000 1.068 413 A CA -0.156 51.985 52.037 0.173 0.000 0.766 413 A CB 0.099 19.165 19.000 0.109 0.000 1.003 413 A HN 0.700 nan 8.150 nan 0.000 0.497 414 N N 1.471 120.301 118.700 0.217 0.000 3.050 414 N HA 0.290 5.037 4.740 0.012 0.000 0.289 414 N C -1.027 174.614 175.510 0.218 0.000 1.209 414 N CA 0.153 53.368 53.050 0.274 0.000 1.154 414 N CB -0.784 37.866 38.487 0.272 0.000 1.444 414 N HN 0.472 nan 8.380 nan 0.000 0.529 415 I N 0.921 121.614 120.570 0.206 0.000 2.497 415 I HA 0.284 4.461 4.170 0.012 0.000 0.284 415 I C -0.601 175.620 176.117 0.173 0.000 1.060 415 I CA -0.634 60.769 61.300 0.172 0.000 1.071 415 I CB 1.730 39.804 38.000 0.122 0.000 1.216 415 I HN 0.257 nan 8.210 nan 0.000 0.442 416 E N 4.390 124.687 120.200 0.163 0.000 2.287 416 E HA 0.381 4.738 4.350 0.012 0.000 0.274 416 E C -0.588 176.078 176.600 0.110 0.000 0.896 416 E CA -0.482 55.984 56.400 0.111 0.000 0.788 416 E CB 1.716 31.460 29.700 0.072 0.000 1.244 416 E HN 0.611 nan 8.360 nan 0.000 0.408 417 T N 0.712 115.322 114.554 0.092 0.000 3.448 417 T HA 0.164 4.521 4.350 0.012 0.000 0.271 417 T C 0.863 175.607 174.700 0.073 0.000 1.002 417 T CA -0.325 61.853 62.100 0.131 0.000 0.995 417 T CB -0.273 68.662 68.868 0.111 0.000 1.153 417 T HN 0.668 nan 8.240 nan 0.000 0.510 418 H N 1.258 120.241 119.070 -0.145 0.000 2.357 418 H HA -0.077 4.487 4.556 0.013 0.000 0.296 418 H C 2.311 177.513 175.328 -0.210 0.000 1.108 418 H CA 1.460 57.395 56.048 -0.187 0.000 1.273 418 H CB -0.199 29.418 29.762 -0.241 0.000 1.367 418 H HN 0.587 nan 8.280 nan 0.000 0.498 419 G N 0.206 108.848 108.800 -0.263 0.000 2.776 419 G HA2 -0.048 3.919 3.960 0.012 0.000 0.209 419 G HA3 -0.048 3.919 3.960 0.012 0.000 0.209 419 G C 0.476 175.462 174.900 0.143 0.000 1.145 419 G CA -0.122 44.862 45.100 -0.192 0.000 0.791 419 G HN 0.153 nan 8.290 nan 0.000 0.530 420 M N 0.241 119.978 119.600 0.227 0.000 2.198 420 M HA 0.333 4.820 4.480 0.012 0.000 0.315 420 M C -0.351 175.988 176.300 0.065 0.000 1.134 420 M CA -0.249 55.152 55.300 0.169 0.000 1.171 420 M CB 1.409 34.068 32.600 0.099 0.000 1.413 420 M HN -0.205 nan 8.290 nan 0.000 0.467 421 V N 3.545 123.477 119.914 0.031 0.000 2.482 421 V HA 0.357 4.484 4.120 0.012 0.000 0.295 421 V C -1.959 174.131 176.094 -0.006 0.000 1.026 421 V CA -1.315 60.988 62.300 0.006 0.000 0.856 421 V CB 1.864 33.685 31.823 -0.002 0.000 1.001 421 V HN 0.738 nan 8.190 nan 0.000 0.424 422 P HA 0.199 nan 4.420 nan 0.000 0.275 422 P C 0.990 178.295 177.300 0.008 0.000 1.270 422 P CA -0.426 62.672 63.100 -0.003 0.000 0.791 422 P CB 0.949 32.648 31.700 -0.002 0.000 1.089 423 M N 0.473 120.083 119.600 0.015 0.000 2.358 423 M HA -0.155 4.332 4.480 0.012 0.000 0.264 423 M C 1.164 177.489 176.300 0.042 0.000 1.064 423 M CA 1.686 57.005 55.300 0.031 0.000 1.093 423 M CB -0.454 32.152 32.600 0.010 0.000 1.401 423 M HN 0.366 nan 8.290 nan 0.000 0.440 424 N N -0.097 118.628 118.700 0.042 0.000 2.314 424 N HA -0.075 4.672 4.740 0.012 0.000 0.200 424 N C 1.158 176.660 175.510 -0.014 0.000 1.135 424 N CA 0.132 53.212 53.050 0.051 0.000 0.835 424 N CB -0.707 37.829 38.487 0.082 0.000 0.989 424 N HN 0.366 nan 8.380 nan 0.000 0.478 425 R N 0.570 121.048 120.500 -0.037 0.000 2.103 425 R HA -0.037 4.311 4.340 0.012 0.000 0.242 425 R C 1.467 177.683 176.300 -0.141 0.000 1.142 425 R CA 1.465 57.520 56.100 -0.075 0.000 0.960 425 R CB -0.102 30.151 30.300 -0.078 0.000 0.858 425 R HN 0.286 nan 8.270 nan 0.000 0.439 426 L N -0.454 120.625 121.223 -0.241 0.000 2.127 426 L HA -0.014 4.333 4.340 0.012 0.000 0.203 426 L C 2.530 179.273 176.870 -0.211 0.000 1.080 426 L CA 1.361 55.942 54.840 -0.432 0.000 0.768 426 L CB -0.626 40.927 42.059 -0.844 0.000 0.924 426 L HN 0.379 nan 8.230 nan 0.000 0.444 427 T N -4.178 110.289 114.554 -0.146 0.000 3.007 427 T HA -0.174 4.183 4.350 0.012 0.000 0.270 427 T C 1.303 175.927 174.700 -0.126 0.000 1.107 427 T CA 1.259 63.258 62.100 -0.167 0.000 1.118 427 T CB -0.256 68.482 68.868 -0.216 0.000 0.889 427 T HN 0.124 nan 8.240 nan 0.000 0.506 428 D N 1.094 121.455 120.400 -0.066 0.000 2.339 428 D HA 0.085 4.732 4.640 0.012 0.000 0.217 428 D C -0.109 176.178 176.300 -0.023 0.000 1.050 428 D CA -0.119 53.852 54.000 -0.050 0.000 0.856 428 D CB -0.110 40.666 40.800 -0.039 0.000 0.922 428 D HN 0.321 nan 8.370 nan 0.000 0.518 429 D N -0.204 120.200 120.400 0.006 0.000 2.274 429 D HA 0.107 4.755 4.640 0.012 0.000 0.239 429 D C -1.658 174.696 176.300 0.090 0.000 1.104 429 D CA -2.160 51.880 54.000 0.067 0.000 0.840 429 D CB 2.001 42.887 40.800 0.143 0.000 1.100 429 D HN -0.020 nan 8.370 nan 0.000 0.477 430 P HA -0.103 nan 4.420 nan 0.000 0.222 430 P C 0.983 178.287 177.300 0.007 0.000 1.147 430 P CA 0.633 63.744 63.100 0.018 0.000 0.790 430 P CB 0.326 32.025 31.700 -0.002 0.000 0.780 431 R N -1.475 119.035 120.500 0.016 0.000 2.189 431 R HA -0.076 4.271 4.340 0.012 0.000 0.223 431 R C 1.498 177.672 176.300 -0.211 0.000 1.092 431 R CA 0.993 57.031 56.100 -0.103 0.000 0.989 431 R CB -0.877 29.339 30.300 -0.140 0.000 0.876 431 R HN 0.363 nan 8.270 nan 0.000 0.457 432 W N 0.336 121.586 121.300 -0.084 0.000 3.278 432 W HA 0.156 4.823 4.660 0.011 0.000 0.308 432 W C 1.619 178.084 176.519 -0.091 0.000 1.253 432 W CA -0.585 56.709 57.345 -0.084 0.000 1.759 432 W CB -0.078 29.331 29.460 -0.084 0.000 1.093 432 W HN -0.022 nan 8.180 nan 0.000 0.648 433 L N 2.194 123.447 121.223 0.051 0.000 2.042 433 L HA -0.075 4.272 4.340 0.012 0.000 0.210 433 L C -0.697 176.142 176.870 -0.052 0.000 1.076 433 L CA 2.261 57.093 54.840 -0.012 0.000 0.749 433 L CB -1.583 40.457 42.059 -0.032 0.000 0.893 433 L HN -0.233 nan 8.230 nan 0.000 0.432 434 P HA -0.115 nan 4.420 nan 0.000 0.216 434 P C 1.555 178.804 177.300 -0.086 0.000 1.153 434 P CA 2.011 65.052 63.100 -0.098 0.000 0.848 434 P CB -0.193 31.438 31.700 -0.115 0.000 0.787 435 A N -1.058 121.725 122.820 -0.061 0.000 1.898 435 A HA -0.153 4.175 4.320 0.012 0.000 0.216 435 A C 2.218 179.818 177.584 0.027 0.000 1.181 435 A CA 1.712 53.745 52.037 -0.005 0.000 0.620 435 A CB -1.402 17.617 19.000 0.032 0.000 0.819 435 A HN 0.090 nan 8.150 nan 0.000 0.442 436 M N 0.320 119.944 119.600 0.041 0.000 2.132 436 M HA -0.144 4.343 4.480 0.012 0.000 0.263 436 M C 2.533 178.778 176.300 -0.092 0.000 1.065 436 M CA 1.739 57.035 55.300 -0.007 0.000 1.122 436 M CB -0.353 32.220 32.600 -0.045 0.000 1.365 436 M HN 0.648 nan 8.290 nan 0.000 0.411 437 S N 0.293 115.912 115.700 -0.135 0.000 2.383 437 S HA -0.185 4.292 4.470 0.012 0.000 0.229 437 S C 1.613 176.043 174.600 -0.283 0.000 1.030 437 S CA 1.463 59.515 58.200 -0.247 0.000 1.002 437 S CB -0.606 62.422 63.200 -0.286 0.000 0.829 437 S HN 0.524 nan 8.310 nan 0.000 0.467 438 E N 1.013 121.100 120.200 -0.188 0.000 2.153 438 E HA -0.079 4.278 4.350 0.012 0.000 0.194 438 E C 2.426 178.937 176.600 -0.148 0.000 0.988 438 E CA 0.852 57.146 56.400 -0.176 0.000 0.811 438 E CB -0.122 29.511 29.700 -0.111 0.000 0.746 438 E HN 0.579 nan 8.360 nan 0.000 0.466 439 R N 0.131 120.574 120.500 -0.096 0.000 2.092 439 R HA -0.087 4.260 4.340 0.012 0.000 0.231 439 R C 2.330 178.583 176.300 -0.078 0.000 1.119 439 R CA 0.857 56.931 56.100 -0.044 0.000 0.970 439 R CB -0.076 30.239 30.300 0.025 0.000 0.864 439 R HN 0.019 nan 8.270 nan 0.000 0.440 440 V N 0.316 120.139 119.914 -0.153 0.000 2.331 440 V HA -0.201 3.926 4.120 0.012 0.000 0.242 440 V C 2.537 178.437 176.094 -0.323 0.000 1.034 440 V CA 2.181 64.365 62.300 -0.194 0.000 1.027 440 V CB -0.488 31.207 31.823 -0.213 0.000 0.667 440 V HN 0.545 nan 8.190 nan 0.000 0.457 441 T N -0.566 113.665 114.554 -0.537 0.000 2.746 441 T HA -0.255 4.102 4.350 0.012 0.000 0.267 441 T C 1.915 176.444 174.700 -0.284 0.000 1.039 441 T CA 1.524 63.220 62.100 -0.673 0.000 1.142 441 T CB -0.417 67.866 68.868 -0.975 0.000 0.866 441 T HN 0.423 nan 8.240 nan 0.000 0.444 442 R N 0.154 120.522 120.500 -0.221 0.000 2.189 442 R HA 0.282 4.629 4.340 0.012 0.000 0.218 442 R C 2.601 178.818 176.300 -0.138 0.000 1.074 442 R CA 1.082 57.088 56.100 -0.157 0.000 0.991 442 R CB -0.410 29.806 30.300 -0.140 0.000 0.883 442 R HN 0.497 nan 8.270 nan 0.000 0.457 443 M N 0.482 120.005 119.600 -0.128 0.000 2.099 443 M HA -0.125 4.362 4.480 0.012 0.000 0.262 443 M C 1.785 178.000 176.300 -0.142 0.000 1.067 443 M CA 1.640 56.895 55.300 -0.075 0.000 1.124 443 M CB 0.120 32.717 32.600 -0.006 0.000 1.353 443 M HN -0.025 nan 8.290 nan 0.000 0.410 444 V N 1.116 120.835 119.914 -0.325 0.000 2.343 444 V HA -0.277 3.850 4.120 0.012 0.000 0.247 444 V C 2.264 178.225 176.094 -0.221 0.000 1.051 444 V CA 1.968 63.929 62.300 -0.564 0.000 1.036 444 V CB -0.931 30.523 31.823 -0.615 0.000 0.654 444 V HN 0.590 nan 8.190 nan 0.000 0.451 445 Q N -0.546 119.175 119.800 -0.131 0.000 2.226 445 Q HA -0.226 4.121 4.340 0.012 0.000 0.204 445 Q C 2.409 178.324 176.000 -0.141 0.000 0.975 445 Q CA 1.501 57.241 55.803 -0.104 0.000 0.866 445 Q CB -0.183 28.517 28.738 -0.064 0.000 0.915 445 Q HN 0.561 nan 8.270 nan 0.000 0.440 446 R N 0.215 120.624 120.500 -0.151 0.000 2.140 446 R HA -0.062 4.285 4.340 0.012 0.000 0.213 446 R C 0.343 176.569 176.300 -0.122 0.000 1.059 446 R CA 1.042 57.030 56.100 -0.187 0.000 1.000 446 R CB 0.543 30.730 30.300 -0.188 0.000 0.910 446 R HN 0.093 nan 8.270 nan 0.000 0.455 447 D N -0.024 120.365 120.400 -0.019 0.000 2.433 447 D HA 0.014 4.662 4.640 0.012 0.000 0.211 447 D C 1.206 177.634 176.300 0.213 0.000 1.114 447 D CA 0.030 54.077 54.000 0.077 0.000 0.837 447 D CB 0.357 41.150 40.800 -0.012 0.000 0.984 447 D HN 0.339 nan 8.370 nan 0.000 0.505 448 R N 0.509 121.130 120.500 0.202 0.000 2.241 448 R HA -0.010 4.338 4.340 0.012 0.000 0.224 448 R C 0.669 176.979 176.300 0.016 0.000 1.101 448 R CA 0.933 57.159 56.100 0.210 0.000 0.995 448 R CB -0.251 30.093 30.300 0.073 0.000 0.870 448 R HN -0.099 nan 8.270 nan 0.000 0.463 449 N N 0.171 118.808 118.700 -0.104 0.000 2.280 449 N HA 0.022 4.769 4.740 0.012 0.000 0.192 449 N C -0.633 174.760 175.510 -0.194 0.000 1.109 449 N CA 0.172 53.129 53.050 -0.155 0.000 0.855 449 N CB 0.168 38.521 38.487 -0.223 0.000 0.974 449 N HN 0.272 nan 8.380 nan 0.000 0.482 450 H N 1.186 120.190 119.070 -0.110 0.000 2.668 450 H HA 0.120 4.683 4.556 0.012 0.000 0.303 450 H C -1.226 173.949 175.328 -0.255 0.000 1.074 450 H CA -1.307 54.658 56.048 -0.138 0.000 1.406 450 H CB 1.615 31.323 29.762 -0.090 0.000 1.442 450 H HN 0.044 nan 8.280 nan 0.000 0.482 451 P HA -0.167 nan 4.420 nan 0.000 0.218 451 P C 1.462 178.272 177.300 -0.816 0.000 1.149 451 P CA 1.212 63.939 63.100 -0.622 0.000 0.817 451 P CB 0.275 31.341 31.700 -1.057 0.000 0.785 452 S N -0.676 114.660 115.700 -0.606 0.000 2.399 452 S HA -0.062 4.416 4.470 0.012 0.000 0.231 452 S C 1.133 175.689 174.600 -0.074 0.000 1.022 452 S CA 0.517 58.531 58.200 -0.310 0.000 0.983 452 S CB -1.571 61.600 63.200 -0.048 0.000 0.803 452 S HN -0.047 nan 8.310 nan 0.000 0.480 453 V N 3.675 123.521 119.914 -0.112 0.000 2.439 453 V HA 0.233 4.360 4.120 0.012 0.000 0.271 453 V C 1.115 177.064 176.094 -0.241 0.000 1.040 453 V CA 0.024 62.226 62.300 -0.163 0.000 1.002 453 V CB 0.428 32.050 31.823 -0.335 0.000 1.000 453 V HN 0.626 nan 8.190 nan 0.000 0.477 454 I N 2.532 123.015 120.570 -0.145 0.000 4.187 454 I HA 0.505 4.682 4.170 0.012 0.000 0.326 454 I C 0.350 176.343 176.117 -0.207 0.000 1.302 454 I CA 0.441 61.663 61.300 -0.130 0.000 1.196 454 I CB 0.457 38.458 38.000 0.002 0.000 1.095 454 I HN 0.320 nan 8.210 nan 0.000 0.411 455 I N 0.066 120.488 120.570 -0.248 0.000 2.722 455 I HA 0.367 4.544 4.170 0.012 0.000 0.295 455 I C -1.577 174.414 176.117 -0.210 0.000 1.161 455 I CA -0.404 60.788 61.300 -0.181 0.000 1.032 455 I CB 2.195 40.189 38.000 -0.010 0.000 1.244 455 I HN 0.008 nan 8.210 nan 0.000 0.421 456 W N 3.675 125.020 121.300 0.074 0.000 2.496 456 W HA 0.650 5.316 4.660 0.010 0.000 0.327 456 W C 0.351 176.931 176.519 0.102 0.000 1.086 456 W CA -0.634 56.761 57.345 0.083 0.000 1.222 456 W CB 1.735 31.241 29.460 0.077 0.000 1.304 456 W HN 0.308 nan 8.180 nan 0.000 0.547 457 S N 2.468 118.398 115.700 0.382 0.000 2.513 457 S HA 0.430 4.907 4.470 0.012 0.000 0.299 457 S C 0.168 174.934 174.600 0.276 0.000 1.087 457 S CA -0.706 57.667 58.200 0.289 0.000 1.012 457 S CB 0.891 64.214 63.200 0.205 0.000 1.044 457 S HN 0.579 nan 8.310 nan 0.000 0.485 458 L N 3.852 125.232 121.223 0.262 0.000 2.599 458 L HA 0.363 4.710 4.340 0.012 0.000 0.230 458 L C 1.359 178.290 176.870 0.103 0.000 1.141 458 L CA 0.480 55.391 54.840 0.118 0.000 0.877 458 L CB -1.069 40.948 42.059 -0.071 0.000 1.009 458 L HN 0.998 nan 8.230 nan 0.000 0.447 459 G N 0.105 109.052 108.800 0.244 0.000 2.280 459 G HA2 -0.134 3.833 3.960 0.012 0.000 0.277 459 G HA3 -0.134 3.833 3.960 0.012 0.000 0.277 459 G C -1.605 173.500 174.900 0.341 0.000 1.288 459 G CA -0.518 44.734 45.100 0.253 0.000 1.075 459 G HN 0.190 nan 8.290 nan 0.000 0.480 460 N N -0.089 118.751 118.700 0.233 0.000 2.484 460 N HA 0.476 5.223 4.740 0.012 0.000 0.269 460 N C -0.455 175.015 175.510 -0.066 0.000 1.237 460 N CA 0.153 53.205 53.050 0.003 0.000 0.838 460 N CB 1.611 39.838 38.487 -0.434 0.000 1.593 460 N HN 0.930 nan 8.380 nan 0.000 0.485 461 E N 0.434 120.502 120.200 -0.221 0.000 2.160 461 E HA -0.175 4.182 4.350 0.012 0.000 0.180 461 E C -0.837 175.691 176.600 -0.120 0.000 1.452 461 E CA 0.812 57.010 56.400 -0.337 0.000 0.683 461 E CB -1.273 28.017 29.700 -0.685 0.000 1.072 461 E HN 0.437 nan 8.360 nan 0.000 0.332 462 S N 0.012 115.774 115.700 0.104 0.000 2.941 462 S HA 0.403 4.880 4.470 0.012 0.000 0.251 462 S C 0.596 175.362 174.600 0.277 0.000 1.029 462 S CA -0.172 58.153 58.200 0.209 0.000 1.062 462 S CB 1.400 64.778 63.200 0.296 0.000 0.977 462 S HN 0.840 nan 8.310 nan 0.000 0.552 463 G N 2.012 110.904 108.800 0.153 0.000 2.641 463 G HA2 -0.266 3.701 3.960 0.012 0.000 0.254 463 G HA3 -0.266 3.701 3.960 0.012 0.000 0.254 463 G C -0.515 174.576 174.900 0.318 0.000 1.315 463 G CA -0.145 45.051 45.100 0.159 0.000 0.907 463 G HN 0.666 nan 8.290 nan 0.000 0.572 464 H N 0.376 119.560 119.070 0.191 0.000 2.800 464 H HA 0.573 5.136 4.556 0.011 0.000 0.322 464 H C 0.406 175.911 175.328 0.295 0.000 0.979 464 H CA -0.173 56.029 56.048 0.257 0.000 1.277 464 H CB 0.502 30.349 29.762 0.142 0.000 1.484 464 H HN 0.989 nan 8.280 nan 0.000 0.512 465 G N 1.631 110.651 108.800 0.366 0.000 2.489 465 G HA2 0.439 4.406 3.960 0.012 0.000 0.327 465 G HA3 0.439 4.406 3.960 0.012 0.000 0.327 465 G C 0.676 175.499 174.900 -0.129 0.000 1.189 465 G CA -0.166 44.923 45.100 -0.018 0.000 0.962 465 G HN 0.702 nan 8.290 nan 0.000 0.486 466 A N 0.634 123.375 122.820 -0.132 0.000 2.024 466 A HA -0.108 4.220 4.320 0.012 0.000 0.220 466 A C 2.143 179.711 177.584 -0.028 0.000 1.164 466 A CA 1.788 53.782 52.037 -0.072 0.000 0.643 466 A CB -0.399 18.574 19.000 -0.045 0.000 0.806 466 A HN 0.551 nan 8.150 nan 0.000 0.451 467 N N -0.191 118.455 118.700 -0.089 0.000 2.223 467 N HA -0.154 4.593 4.740 0.012 0.000 0.185 467 N C 1.364 176.812 175.510 -0.104 0.000 1.016 467 N CA 1.730 54.711 53.050 -0.115 0.000 0.863 467 N CB -0.686 37.695 38.487 -0.177 0.000 0.983 467 N HN 0.788 nan 8.380 nan 0.000 0.429 468 H N 0.368 119.440 119.070 0.004 0.000 2.353 468 H HA -0.026 4.537 4.556 0.012 0.000 0.300 468 H C 1.225 176.633 175.328 0.135 0.000 1.090 468 H CA 1.306 57.366 56.048 0.020 0.000 1.327 468 H CB 0.170 29.974 29.762 0.069 0.000 1.383 468 H HN 0.206 nan 8.280 nan 0.000 0.508 469 D N 0.338 120.906 120.400 0.281 0.000 2.117 469 D HA -0.104 4.543 4.640 0.012 0.000 0.198 469 D C 2.303 178.759 176.300 0.260 0.000 0.982 469 D CA 1.096 55.255 54.000 0.265 0.000 0.828 469 D CB -0.396 40.527 40.800 0.206 0.000 0.967 469 D HN 0.419 nan 8.370 nan 0.000 0.464 470 A N 0.965 123.886 122.820 0.169 0.000 1.902 470 A HA -0.127 4.200 4.320 0.012 0.000 0.217 470 A C 2.396 180.091 177.584 0.186 0.000 1.181 470 A CA 0.975 53.102 52.037 0.149 0.000 0.623 470 A CB -0.783 18.261 19.000 0.074 0.000 0.818 470 A HN 0.194 nan 8.150 nan 0.000 0.443 471 L N -2.136 119.180 121.223 0.155 0.000 2.156 471 L HA -0.133 4.214 4.340 0.012 0.000 0.208 471 L C 2.553 179.567 176.870 0.241 0.000 1.095 471 L CA 1.403 56.332 54.840 0.149 0.000 0.770 471 L CB -0.614 41.460 42.059 0.024 0.000 0.914 471 L HN 0.621 nan 8.230 nan 0.000 0.439 472 Y N 1.271 121.657 120.300 0.144 0.000 2.128 472 Y HA -0.332 4.224 4.550 0.009 0.000 0.284 472 Y C 2.809 178.794 175.900 0.142 0.000 1.154 472 Y CA 1.832 60.020 58.100 0.146 0.000 1.149 472 Y CB -0.161 38.386 38.460 0.144 0.000 0.976 472 Y HN -0.029 nan 8.280 nan 0.000 0.505 473 R N -0.194 120.424 120.500 0.196 0.000 2.081 473 R HA -0.208 4.139 4.340 0.012 0.000 0.235 473 R C 2.087 178.398 176.300 0.019 0.000 1.131 473 R CA 2.009 58.153 56.100 0.072 0.000 0.960 473 R CB -1.449 28.970 30.300 0.198 0.000 0.856 473 R HN 0.641 nan 8.270 nan 0.000 0.436 474 W N 0.580 121.840 121.300 -0.067 0.000 2.335 474 W HA -0.163 4.505 4.660 0.013 0.000 0.311 474 W C 1.647 178.074 176.519 -0.152 0.000 1.213 474 W CA 2.112 59.401 57.345 -0.093 0.000 1.274 474 W CB -0.262 29.148 29.460 -0.084 0.000 1.148 474 W HN 0.094 nan 8.180 nan 0.000 0.498 475 I N 0.786 121.384 120.570 0.046 0.000 2.226 475 I HA -0.343 3.834 4.170 0.012 0.000 0.245 475 I C 2.429 178.336 176.117 -0.350 0.000 1.100 475 I CA 1.310 62.452 61.300 -0.264 0.000 1.374 475 I CB -0.771 37.160 38.000 -0.116 0.000 1.057 475 I HN -0.114 nan 8.210 nan 0.000 0.413 476 K N 0.422 120.630 120.400 -0.320 0.000 2.160 476 K HA -0.182 4.145 4.320 0.012 0.000 0.206 476 K C 2.284 178.743 176.600 -0.235 0.000 1.047 476 K CA 1.570 57.689 56.287 -0.279 0.000 0.930 476 K CB -0.521 31.775 32.500 -0.340 0.000 0.720 476 K HN 0.297 nan 8.250 nan 0.000 0.450 477 S N 0.801 116.324 115.700 -0.295 0.000 2.362 477 S HA -0.084 4.393 4.470 0.012 0.000 0.221 477 S C 2.026 176.396 174.600 -0.383 0.000 1.032 477 S CA 1.213 59.237 58.200 -0.294 0.000 0.973 477 S CB -0.115 62.936 63.200 -0.250 0.000 0.849 477 S HN 0.152 nan 8.310 nan 0.000 0.465 478 V N -0.709 118.824 119.914 -0.636 0.000 2.788 478 V HA 0.280 4.408 4.120 0.012 0.000 0.251 478 V C 0.339 176.200 176.094 -0.388 0.000 1.068 478 V CA 1.361 63.303 62.300 -0.596 0.000 1.090 478 V CB -0.473 30.787 31.823 -0.939 0.000 0.710 478 V HN 0.470 nan 8.190 nan 0.000 0.467 479 D N 0.662 120.874 120.400 -0.313 0.000 2.363 479 D HA 0.394 5.042 4.640 0.012 0.000 0.258 479 D C -2.146 174.131 176.300 -0.039 0.000 1.259 479 D CA -1.827 52.097 54.000 -0.127 0.000 0.921 479 D CB 1.715 42.517 40.800 0.003 0.000 1.201 479 D HN 0.161 nan 8.370 nan 0.000 0.524 480 P HA -0.026 nan 4.420 nan 0.000 0.237 480 P C 0.978 178.291 177.300 0.021 0.000 1.178 480 P CA 0.422 63.510 63.100 -0.021 0.000 0.766 480 P CB 0.079 31.761 31.700 -0.029 0.000 0.876 481 S N -1.486 114.236 115.700 0.036 0.000 2.603 481 S HA 0.115 4.592 4.470 0.012 0.000 0.220 481 S C 0.783 175.406 174.600 0.039 0.000 0.967 481 S CA -0.223 58.003 58.200 0.044 0.000 0.920 481 S CB -0.356 62.864 63.200 0.034 0.000 0.773 481 S HN 0.069 nan 8.310 nan 0.000 0.529 482 R N 0.860 121.394 120.500 0.056 0.000 2.651 482 R HA 0.543 4.890 4.340 0.012 0.000 0.278 482 R C -3.263 173.074 176.300 0.062 0.000 1.010 482 R CA -2.107 53.992 56.100 -0.002 0.000 0.896 482 R CB 1.439 31.629 30.300 -0.184 0.000 1.211 482 R HN 0.112 nan 8.270 nan 0.000 0.456 483 P HA 0.112 nan 4.420 nan 0.000 0.272 483 P C -0.855 176.540 177.300 0.158 0.000 1.240 483 P CA -0.431 62.726 63.100 0.095 0.000 0.791 483 P CB 0.661 32.405 31.700 0.073 0.000 0.978 484 V N 2.049 122.090 119.914 0.212 0.000 2.495 484 V HA 0.396 4.523 4.120 0.012 0.000 0.298 484 V C 0.234 176.509 176.094 0.302 0.000 1.031 484 V CA -0.314 62.161 62.300 0.292 0.000 0.871 484 V CB 1.078 33.060 31.823 0.265 0.000 0.988 484 V HN 0.616 nan 8.190 nan 0.000 0.432 485 Q N 3.735 123.693 119.800 0.263 0.000 2.496 485 Q HA 0.823 5.170 4.340 0.012 0.000 0.286 485 Q C -1.816 174.343 176.000 0.264 0.000 1.103 485 Q CA -0.974 54.952 55.803 0.205 0.000 0.813 485 Q CB 2.983 31.788 28.738 0.113 0.000 1.444 485 Q HN 0.604 nan 8.270 nan 0.000 0.443 486 Y N -0.044 120.263 120.300 0.012 0.000 2.357 486 Y HA 0.129 4.685 4.550 0.011 0.000 0.319 486 Y C -0.584 175.253 175.900 -0.104 0.000 1.225 486 Y CA -0.784 57.290 58.100 -0.043 0.000 1.095 486 Y CB 1.932 40.353 38.460 -0.065 0.000 1.302 486 Y HN 0.962 nan 8.280 nan 0.000 0.429 487 E N 3.329 123.054 120.200 -0.791 0.000 2.318 487 E HA 0.129 4.486 4.350 0.012 0.000 0.193 487 E C 0.694 176.852 176.600 -0.737 0.000 0.998 487 E CA 0.730 56.766 56.400 -0.607 0.000 0.859 487 E CB 0.277 29.740 29.700 -0.394 0.000 0.812 487 E HN 0.882 nan 8.360 nan 0.000 0.492 488 G N -0.181 107.778 108.800 -1.403 0.000 2.559 488 G HA2 0.228 4.195 3.960 0.012 0.000 0.235 488 G HA3 0.228 4.195 3.960 0.012 0.000 0.235 488 G C 0.798 175.527 174.900 -0.285 0.000 1.266 488 G CA 0.281 44.942 45.100 -0.730 0.000 0.847 488 G HN 0.332 nan 8.290 nan 0.000 0.583 489 G N -0.684 108.064 108.800 -0.086 0.000 2.160 489 G HA2 0.228 4.195 3.960 0.012 0.000 0.251 489 G HA3 0.228 4.195 3.960 0.012 0.000 0.251 489 G C 1.263 176.173 174.900 0.016 0.000 1.008 489 G CA 1.026 46.147 45.100 0.035 0.000 0.724 489 G HN 2.618 nan 8.290 nan 0.000 0.514 490 G N -1.641 107.159 108.800 -0.001 0.000 2.205 490 G HA2 0.436 4.403 3.960 0.012 0.000 0.180 490 G HA3 0.436 4.403 3.960 0.012 0.000 0.180 490 G C 1.034 176.054 174.900 0.200 0.000 1.004 490 G CA 1.286 46.451 45.100 0.108 0.000 0.670 490 G HN 2.336 nan 8.290 nan 0.000 0.496 491 A N -0.216 122.607 122.820 0.004 0.000 3.661 491 A HA -0.142 4.185 4.320 0.012 0.000 0.269 491 A C 1.113 178.648 177.584 -0.082 0.000 1.056 491 A CA 2.655 54.641 52.037 -0.084 0.000 1.159 491 A CB -1.762 17.177 19.000 -0.101 0.000 1.105 491 A HN 2.094 nan 8.150 nan 0.000 0.907 492 D N -0.799 119.636 120.400 0.057 0.000 2.760 492 D HA 0.318 4.965 4.640 0.012 0.000 0.314 492 D C 0.420 176.726 176.300 0.010 0.000 1.464 492 D CA 0.824 54.856 54.000 0.054 0.000 0.797 492 D CB -1.179 39.794 40.800 0.288 0.000 1.149 492 D HN 0.828 nan 8.370 nan 0.000 0.455 493 T N -2.309 112.182 114.554 -0.105 0.000 2.667 493 T HA 0.173 4.531 4.350 0.012 0.000 0.305 493 T C 1.572 176.141 174.700 -0.218 0.000 1.022 493 T CA 0.487 62.455 62.100 -0.220 0.000 0.995 493 T CB 0.733 69.220 68.868 -0.636 0.000 1.026 493 T HN 0.094 nan 8.240 nan 0.000 0.527 494 T N -2.583 111.842 114.554 -0.214 0.000 3.160 494 T HA 0.259 4.616 4.350 0.012 0.000 0.257 494 T C 1.518 175.972 174.700 -0.409 0.000 1.147 494 T CA 0.203 62.184 62.100 -0.197 0.000 1.064 494 T CB -0.452 68.385 68.868 -0.052 0.000 0.949 494 T HN 0.824 nan 8.240 nan 0.000 0.526 495 A N 0.511 123.094 122.820 -0.396 0.000 2.415 495 A HA 0.498 4.825 4.320 0.012 0.000 0.248 495 A C 0.848 178.259 177.584 -0.288 0.000 1.299 495 A CA -0.280 51.505 52.037 -0.420 0.000 0.899 495 A CB 0.049 19.043 19.000 -0.011 0.000 0.997 495 A HN 0.421 nan 8.150 nan 0.000 0.506 496 T N -1.300 113.104 114.554 -0.249 0.000 2.971 496 T HA 0.358 4.715 4.350 0.012 0.000 0.304 496 T C -0.573 174.145 174.700 0.031 0.000 1.038 496 T CA -0.462 61.639 62.100 0.002 0.000 1.007 496 T CB 1.185 70.046 68.868 -0.011 0.000 1.055 496 T HN 0.097 nan 8.240 nan 0.000 0.451 497 D N 2.992 123.493 120.400 0.168 0.000 2.347 497 D HA 0.239 4.886 4.640 0.012 0.000 0.213 497 D C 0.389 176.720 176.300 0.052 0.000 0.985 497 D CA 0.762 54.846 54.000 0.139 0.000 0.879 497 D CB 0.395 41.307 40.800 0.186 0.000 0.919 497 D HN 0.546 nan 8.370 nan 0.000 0.526 498 I N 0.815 121.397 120.570 0.020 0.000 2.545 498 I HA 0.254 4.431 4.170 0.012 0.000 0.292 498 I C -0.199 175.853 176.117 -0.108 0.000 1.040 498 I CA -0.934 60.343 61.300 -0.038 0.000 1.068 498 I CB 2.823 40.811 38.000 -0.020 0.000 1.251 498 I HN -0.353 nan 8.210 nan 0.000 0.424 499 I N 5.489 125.949 120.570 -0.183 0.000 2.505 499 I HA 0.054 4.231 4.170 0.012 0.000 0.287 499 I C 0.217 176.126 176.117 -0.347 0.000 1.104 499 I CA -0.003 61.091 61.300 -0.343 0.000 1.387 499 I CB 0.152 37.831 38.000 -0.535 0.000 1.404 499 I HN 0.678 nan 8.210 nan 0.000 0.528 500 C N 5.653 124.765 119.300 -0.312 0.000 3.276 500 C HA 0.467 4.934 4.460 0.012 0.000 0.226 500 C C -2.088 172.765 174.990 -0.228 0.000 1.502 500 C CA -2.315 56.571 59.018 -0.221 0.000 1.488 500 C CB -1.009 26.662 27.740 -0.116 0.000 2.014 500 C HN 0.426 nan 8.230 nan 0.000 0.492 501 P HA 0.254 nan 4.420 nan 0.000 0.271 501 P C -0.398 176.844 177.300 -0.095 0.000 1.233 501 P CA 0.416 63.406 63.100 -0.183 0.000 0.789 501 P CB 0.707 32.296 31.700 -0.185 0.000 0.951 502 M N 0.310 119.884 119.600 -0.045 0.000 2.125 502 M HA 0.426 4.913 4.480 0.012 0.000 0.321 502 M C -0.866 175.437 176.300 0.004 0.000 0.983 502 M CA -0.681 54.494 55.300 -0.209 0.000 0.934 502 M CB 1.023 33.501 32.600 -0.203 0.000 1.542 502 M HN 0.330 nan 8.290 nan 0.000 0.424 503 Y N -0.032 120.435 120.300 0.277 0.000 4.177 503 Y HA -0.219 4.338 4.550 0.013 0.000 0.227 503 Y C 0.483 176.555 175.900 0.286 0.000 1.154 503 Y CA 0.416 58.681 58.100 0.275 0.000 1.887 503 Y CB -2.229 36.356 38.460 0.209 0.000 1.594 503 Y HN 0.966 nan 8.280 nan 0.000 0.668 504 A N 1.010 124.047 122.820 0.362 0.000 2.425 504 A HA 0.603 4.931 4.320 0.012 0.000 0.249 504 A C 0.712 178.523 177.584 0.379 0.000 1.084 504 A CA -0.477 51.782 52.037 0.369 0.000 0.781 504 A CB 0.434 19.702 19.000 0.447 0.000 1.019 504 A HN 0.434 nan 8.150 nan 0.000 0.490 505 R N 1.276 121.926 120.500 0.250 0.000 2.546 505 R HA 0.340 4.687 4.340 0.012 0.000 0.266 505 R C 1.026 177.300 176.300 -0.043 0.000 1.086 505 R CA -0.704 55.469 56.100 0.121 0.000 1.160 505 R CB 0.559 30.892 30.300 0.056 0.000 1.138 505 R HN 0.478 nan 8.270 nan 0.000 0.567 506 V N 0.586 120.299 119.914 -0.334 0.000 2.323 506 V HA -0.191 3.937 4.120 0.012 0.000 0.244 506 V C 0.921 176.903 176.094 -0.187 0.000 1.041 506 V CA 1.866 63.949 62.300 -0.361 0.000 1.025 506 V CB -0.265 31.219 31.823 -0.565 0.000 0.656 506 V HN 0.749 nan 8.190 nan 0.000 0.451 507 D N -1.442 118.876 120.400 -0.135 0.000 2.473 507 D HA 0.095 4.742 4.640 0.012 0.000 0.230 507 D C 0.889 177.173 176.300 -0.027 0.000 1.097 507 D CA 0.033 53.989 54.000 -0.073 0.000 0.861 507 D CB 0.760 41.520 40.800 -0.066 0.000 1.114 507 D HN 0.484 nan 8.370 nan 0.000 0.500 508 E N 2.052 122.238 120.200 -0.023 0.000 2.167 508 E HA 0.103 4.461 4.350 0.012 0.000 0.284 508 E C -0.806 175.792 176.600 -0.003 0.000 1.016 508 E CA -0.574 55.820 56.400 -0.010 0.000 0.817 508 E CB 0.872 30.565 29.700 -0.012 0.000 1.080 508 E HN -0.189 nan 8.360 nan 0.000 0.397 509 D N 3.768 124.169 120.400 0.001 0.000 2.339 509 D HA 0.110 4.758 4.640 0.012 0.000 0.245 509 D C -0.567 175.627 176.300 -0.177 0.000 1.115 509 D CA 0.259 54.251 54.000 -0.013 0.000 0.917 509 D CB 1.142 42.001 40.800 0.098 0.000 1.192 509 D HN 0.436 nan 8.370 nan 0.000 0.428 510 Q N 1.397 120.969 119.800 -0.380 0.000 3.090 510 Q HA 0.235 4.582 4.340 0.012 0.000 0.241 510 Q C -2.238 173.160 176.000 -1.004 0.000 0.958 510 Q CA -1.445 53.938 55.803 -0.700 0.000 0.715 510 Q CB 2.330 30.641 28.738 -0.712 0.000 1.298 510 Q HN 0.179 nan 8.270 nan 0.000 0.468 511 P HA -0.028 nan 4.420 nan 0.000 0.228 511 P C -0.582 176.427 177.300 -0.485 0.000 1.748 511 P CA 0.006 62.693 63.100 -0.689 0.000 0.909 511 P CB -0.544 30.953 31.700 -0.339 0.000 1.882 512 F N 1.886 121.661 119.950 -0.292 0.000 2.589 512 F HA 0.098 4.632 4.527 0.011 0.000 0.352 512 F C -1.078 174.618 175.800 -0.173 0.000 1.168 512 F CA -2.043 55.846 58.000 -0.185 0.000 1.353 512 F CB -0.567 38.335 39.000 -0.162 0.000 1.116 512 F HN 0.058 nan 8.300 nan 0.000 0.608 513 P HA 0.146 nan 4.420 nan 0.000 0.271 513 P C 0.184 177.502 177.300 0.031 0.000 1.216 513 P CA 0.829 63.952 63.100 0.038 0.000 0.776 513 P CB 1.219 32.938 31.700 0.032 0.000 0.881 514 A N 2.710 125.540 122.820 0.018 0.000 3.292 514 A HA -0.247 4.081 4.320 0.012 0.000 0.241 514 A C 0.738 178.332 177.584 0.017 0.000 0.569 514 A CA 2.110 54.161 52.037 0.023 0.000 1.149 514 A CB -2.707 16.307 19.000 0.023 0.000 1.321 514 A HN 0.688 nan 8.150 nan 0.000 0.679 515 V N -2.931 116.985 119.914 0.003 0.000 2.454 515 V HA 0.567 4.695 4.120 0.012 0.000 0.255 515 V C -2.409 173.673 176.094 -0.020 0.000 1.009 515 V CA -1.341 60.959 62.300 0.001 0.000 1.149 515 V CB 0.606 32.429 31.823 0.000 0.000 1.418 515 V HN 0.446 nan 8.190 nan 0.000 0.567 516 P HA 0.290 nan 4.420 nan 0.000 0.272 516 P C -0.634 176.267 177.300 -0.664 0.000 1.230 516 P CA 0.046 62.796 63.100 -0.584 0.000 0.788 516 P CB 1.008 31.875 31.700 -1.388 0.000 0.949 517 K N 2.071 122.148 120.400 -0.538 0.000 2.419 517 K HA 0.213 4.541 4.320 0.012 0.000 0.244 517 K C -0.427 175.914 176.600 -0.433 0.000 1.045 517 K CA -0.294 55.852 56.287 -0.235 0.000 1.004 517 K CB 0.346 32.968 32.500 0.203 0.000 1.376 517 K HN 0.455 nan 8.250 nan 0.000 0.460 518 W N 1.404 122.403 121.300 -0.501 0.000 2.112 518 W HA 0.032 4.700 4.660 0.014 0.000 0.349 518 W C 1.366 177.908 176.519 0.038 0.000 1.289 518 W CA -0.439 56.714 57.345 -0.319 0.000 1.256 518 W CB 0.376 29.488 29.460 -0.579 0.000 1.148 518 W HN 0.371 nan 8.180 nan 0.000 0.590 519 S N 2.832 118.691 115.700 0.265 0.000 2.558 519 S HA -0.095 4.382 4.470 0.012 0.000 0.291 519 S C 1.172 175.930 174.600 0.262 0.000 1.306 519 S CA -0.031 58.273 58.200 0.173 0.000 1.056 519 S CB 0.196 63.446 63.200 0.084 0.000 0.836 519 S HN 0.501 nan 8.310 nan 0.000 0.504 520 I N 2.037 122.719 120.570 0.188 0.000 2.286 520 I HA -0.120 4.058 4.170 0.012 0.000 0.248 520 I C 2.144 178.291 176.117 0.050 0.000 1.115 520 I CA 1.193 62.603 61.300 0.184 0.000 1.392 520 I CB -0.456 37.599 38.000 0.092 0.000 1.065 520 I HN 0.601 nan 8.210 nan 0.000 0.418 521 K N 1.509 121.830 120.400 -0.131 0.000 2.057 521 K HA -0.178 4.149 4.320 0.012 0.000 0.207 521 K C 2.317 178.906 176.600 -0.018 0.000 1.049 521 K CA 1.738 57.854 56.287 -0.284 0.000 0.931 521 K CB -0.194 32.048 32.500 -0.430 0.000 0.714 521 K HN 0.375 nan 8.250 nan 0.000 0.440 522 K N 0.156 120.578 120.400 0.037 0.000 2.103 522 K HA -0.172 4.155 4.320 0.012 0.000 0.204 522 K C 1.935 178.575 176.600 0.067 0.000 1.052 522 K CA 0.856 57.157 56.287 0.024 0.000 0.945 522 K CB -0.085 32.404 32.500 -0.019 0.000 0.722 522 K HN 0.213 nan 8.250 nan 0.000 0.443 523 W N 2.216 123.512 121.300 -0.007 0.000 2.318 523 W HA -0.208 4.458 4.660 0.009 0.000 0.313 523 W C 1.652 178.162 176.519 -0.016 0.000 1.221 523 W CA 1.197 58.553 57.345 0.019 0.000 1.266 523 W CB -0.685 28.862 29.460 0.145 0.000 1.150 523 W HN 0.089 nan 8.180 nan 0.000 0.496 524 L N 0.792 122.174 121.223 0.264 0.000 2.081 524 L HA -0.251 4.096 4.340 0.012 0.000 0.212 524 L C 2.179 179.119 176.870 0.117 0.000 1.080 524 L CA 2.019 56.948 54.840 0.148 0.000 0.754 524 L CB -1.085 41.047 42.059 0.122 0.000 0.893 524 L HN 0.005 nan 8.230 nan 0.000 0.433 525 S N -1.307 114.447 115.700 0.089 0.000 2.582 525 S HA 0.276 4.753 4.470 0.012 0.000 0.234 525 S C 0.515 175.108 174.600 -0.012 0.000 0.961 525 S CA -0.562 57.662 58.200 0.039 0.000 0.953 525 S CB -0.474 62.748 63.200 0.037 0.000 0.800 525 S HN 0.154 nan 8.310 nan 0.000 0.471 526 L N 1.886 123.094 121.223 -0.026 0.000 2.506 526 L HA 0.236 4.583 4.340 0.012 0.000 0.281 526 L C -2.271 174.573 176.870 -0.044 0.000 1.228 526 L CA -1.727 53.050 54.840 -0.105 0.000 0.850 526 L CB -0.423 41.540 42.059 -0.159 0.000 1.110 526 L HN 0.009 nan 8.230 nan 0.000 0.496 527 P HA -0.029 nan 4.420 nan 0.000 0.260 527 P C 0.755 178.050 177.300 -0.009 0.000 1.172 527 P CA 1.084 64.163 63.100 -0.035 0.000 0.760 527 P CB 0.545 32.218 31.700 -0.045 0.000 0.773 528 G N 1.794 110.595 108.800 0.003 0.000 2.205 528 G HA2 -0.272 3.696 3.960 0.012 0.000 0.261 528 G HA3 -0.272 3.696 3.960 0.012 0.000 0.261 528 G C 0.242 175.160 174.900 0.030 0.000 0.980 528 G CA 0.070 45.179 45.100 0.016 0.000 0.632 528 G HN 0.601 nan 8.290 nan 0.000 0.533 529 E N 0.975 121.198 120.200 0.038 0.000 2.289 529 E HA 0.612 4.970 4.350 0.012 0.000 0.278 529 E C 1.353 177.980 176.600 0.045 0.000 1.032 529 E CA 0.578 57.014 56.400 0.059 0.000 0.854 529 E CB 0.809 30.572 29.700 0.104 0.000 1.046 529 E HN 0.485 nan 8.360 nan 0.000 0.409 530 T N 0.653 115.230 114.554 0.038 0.000 3.041 530 T HA 0.324 4.681 4.350 0.012 0.000 0.276 530 T C 0.572 175.283 174.700 0.019 0.000 0.948 530 T CA -0.453 61.664 62.100 0.028 0.000 0.885 530 T CB 0.103 68.986 68.868 0.026 0.000 1.175 530 T HN 0.241 nan 8.240 nan 0.000 0.529 531 R N 2.513 123.020 120.500 0.012 0.000 2.679 531 R HA 0.417 4.764 4.340 0.012 0.000 0.269 531 R C -2.464 173.817 176.300 -0.032 0.000 1.076 531 R CA -1.736 54.359 56.100 -0.008 0.000 1.160 531 R CB 0.087 30.376 30.300 -0.019 0.000 1.054 531 R HN 0.255 nan 8.270 nan 0.000 0.507 532 P HA 0.083 nan 4.420 nan 0.000 0.276 532 P C -1.024 176.208 177.300 -0.114 0.000 1.252 532 P CA -0.167 62.893 63.100 -0.066 0.000 0.802 532 P CB 0.747 32.408 31.700 -0.065 0.000 1.035 533 L N 2.315 123.452 121.223 -0.144 0.000 2.349 533 L HA 0.566 4.913 4.340 0.012 0.000 0.278 533 L C -0.977 175.754 176.870 -0.232 0.000 0.996 533 L CA -0.662 54.053 54.840 -0.208 0.000 0.825 533 L CB 0.514 42.444 42.059 -0.214 0.000 1.243 533 L HN 0.233 nan 8.230 nan 0.000 0.412 534 I N 5.666 126.104 120.570 -0.220 0.000 2.500 534 I HA 0.263 4.440 4.170 0.012 0.000 0.286 534 I C -0.742 175.280 176.117 -0.158 0.000 1.063 534 I CA -0.549 60.608 61.300 -0.239 0.000 1.062 534 I CB 2.013 39.922 38.000 -0.151 0.000 1.223 534 I HN 0.481 nan 8.210 nan 0.000 0.435 535 L N 5.576 126.682 121.223 -0.195 0.000 2.455 535 L HA 0.042 4.389 4.340 0.012 0.000 0.272 535 L C 1.440 178.380 176.870 0.116 0.000 1.174 535 L CA -0.144 54.648 54.840 -0.080 0.000 0.869 535 L CB 0.636 42.629 42.059 -0.109 0.000 1.130 535 L HN 0.857 nan 8.230 nan 0.000 0.474 536 C N -0.000 119.351 119.300 0.084 0.000 2.481 536 C HA 0.195 4.662 4.460 0.012 0.000 0.275 536 C C 0.576 175.699 174.990 0.221 0.000 1.419 536 C CA -0.287 58.829 59.018 0.164 0.000 1.773 536 C CB -1.097 26.653 27.740 0.017 0.000 1.862 536 C HN 0.822 nan 8.230 nan 0.000 0.530 537 E N -0.648 119.607 120.200 0.091 0.000 2.321 537 E HA 0.595 4.952 4.350 0.012 0.000 0.281 537 E C -1.409 175.114 176.600 -0.128 0.000 0.910 537 E CA -0.384 56.043 56.400 0.044 0.000 0.770 537 E CB 1.948 31.503 29.700 -0.241 0.000 1.225 537 E HN 0.667 nan 8.360 nan 0.000 0.417 538 Y N -1.040 119.243 120.300 -0.029 0.000 2.656 538 Y HA 0.623 5.181 4.550 0.013 0.000 0.334 538 Y C -0.668 175.391 175.900 0.266 0.000 1.179 538 Y CA -0.819 57.283 58.100 0.002 0.000 1.050 538 Y CB 1.033 39.333 38.460 -0.266 0.000 1.308 538 Y HN 0.674 nan 8.280 nan 0.000 0.456 539 A N 2.003 124.864 122.820 0.068 0.000 2.475 539 A HA -0.263 4.064 4.320 0.012 0.000 0.295 539 A C -0.418 177.256 177.584 0.151 0.000 1.457 539 A CA 1.033 53.094 52.037 0.040 0.000 0.734 539 A CB -2.531 16.331 19.000 -0.229 0.000 1.118 539 A HN 1.111 nan 8.150 nan 0.000 0.400 540 H N 0.580 119.783 119.070 0.222 0.000 3.191 540 H HA 0.278 4.841 4.556 0.012 0.000 0.261 540 H C 1.051 176.422 175.328 0.072 0.000 1.013 540 H CA 0.889 57.073 56.048 0.226 0.000 1.457 540 H CB 0.472 30.263 29.762 0.049 0.000 1.535 540 H HN 0.805 nan 8.280 nan 0.000 0.518 541 A N 6.602 129.276 122.820 -0.242 0.000 2.929 541 A HA 0.078 4.406 4.320 0.012 0.000 0.279 541 A C 0.872 178.291 177.584 -0.276 0.000 1.418 541 A CA -0.469 51.426 52.037 -0.237 0.000 1.035 541 A CB -0.559 18.287 19.000 -0.256 0.000 1.047 541 A HN 0.806 nan 8.150 nan 0.000 0.609 542 M N 1.550 120.975 119.600 -0.292 0.000 2.266 542 M HA 0.424 4.911 4.480 0.012 0.000 0.340 542 M C 1.024 177.199 176.300 -0.209 0.000 1.486 542 M CA 1.297 56.463 55.300 -0.224 0.000 1.209 542 M CB -0.399 32.163 32.600 -0.063 0.000 1.714 542 M HN 0.819 nan 8.290 nan 0.000 0.459 543 G N 4.262 112.911 108.800 -0.252 0.000 2.550 543 G HA2 -0.344 3.623 3.960 0.012 0.000 0.277 543 G HA3 -0.344 3.623 3.960 0.012 0.000 0.277 543 G C -0.186 174.225 174.900 -0.815 0.000 1.190 543 G CA 0.060 44.816 45.100 -0.573 0.000 0.971 543 G HN 0.823 nan 8.290 nan 0.000 0.559 544 N N 1.376 119.478 118.700 -0.996 0.000 2.466 544 N HA 0.492 5.240 4.740 0.012 0.000 0.263 544 N C 0.020 175.314 175.510 -0.359 0.000 1.178 544 N CA 1.140 53.800 53.050 -0.651 0.000 0.983 544 N CB 0.381 38.525 38.487 -0.572 0.000 1.331 544 N HN 0.835 nan 8.380 nan 0.000 0.500 545 S N 2.027 117.590 115.700 -0.229 0.000 2.973 545 S HA 0.607 5.085 4.470 0.012 0.000 0.317 545 S C -0.237 174.305 174.600 -0.096 0.000 1.196 545 S CA -0.361 57.751 58.200 -0.146 0.000 0.894 545 S CB 0.117 63.245 63.200 -0.121 0.000 1.292 545 S HN 0.342 nan 8.310 nan 0.000 0.614 546 L N 0.099 121.290 121.223 -0.052 0.000 4.639 546 L HA -0.043 4.304 4.340 0.012 0.000 0.402 546 L C 0.483 177.396 176.870 0.071 0.000 1.069 546 L CA 0.963 55.791 54.840 -0.020 0.000 1.105 546 L CB -1.755 40.215 42.059 -0.149 0.000 2.122 546 L HN 0.746 nan 8.230 nan 0.000 0.662 547 G N -0.828 107.987 108.800 0.026 0.000 2.365 547 G HA2 0.487 4.454 3.960 0.012 0.000 0.249 547 G HA3 0.487 4.454 3.960 0.012 0.000 0.249 547 G C 1.226 176.181 174.900 0.092 0.000 1.288 547 G CA 0.183 45.281 45.100 -0.004 0.000 0.887 547 G HN 1.417 nan 8.290 nan 0.000 0.524 548 G N 1.553 110.405 108.800 0.087 0.000 2.176 548 G HA2 -0.312 3.655 3.960 0.012 0.000 0.253 548 G HA3 -0.312 3.655 3.960 0.012 0.000 0.253 548 G C 1.011 176.106 174.900 0.325 0.000 0.979 548 G CA 0.747 45.950 45.100 0.173 0.000 0.641 548 G HN 0.776 nan 8.290 nan 0.000 0.530 549 F N 1.911 121.988 119.950 0.212 0.000 2.091 549 F HA 0.075 4.610 4.527 0.012 0.000 0.299 549 F C 2.695 178.716 175.800 0.368 0.000 1.103 549 F CA 2.572 60.771 58.000 0.332 0.000 1.228 549 F CB -0.584 38.553 39.000 0.227 0.000 0.984 549 F HN 0.371 nan 8.300 nan 0.000 0.477 550 A N -0.404 122.572 122.820 0.261 0.000 2.024 550 A HA -0.254 4.073 4.320 0.012 0.000 0.220 550 A C 2.299 179.905 177.584 0.037 0.000 1.164 550 A CA 1.793 53.911 52.037 0.136 0.000 0.643 550 A CB -0.843 18.247 19.000 0.149 0.000 0.806 550 A HN 0.467 nan 8.150 nan 0.000 0.451 551 K N -1.640 118.771 120.400 0.018 0.000 2.097 551 K HA -0.175 4.152 4.320 0.012 0.000 0.206 551 K C 1.685 178.085 176.600 -0.333 0.000 1.049 551 K CA 1.610 57.824 56.287 -0.122 0.000 0.933 551 K CB -0.302 32.118 32.500 -0.134 0.000 0.717 551 K HN 0.610 nan 8.250 nan 0.000 0.442 552 Y N -0.985 119.065 120.300 -0.416 0.000 2.163 552 Y HA -0.234 4.323 4.550 0.011 0.000 0.288 552 Y C 1.950 176.958 175.900 -1.487 0.000 1.136 552 Y CA 1.461 58.983 58.100 -0.963 0.000 1.147 552 Y CB -0.255 37.644 38.460 -0.934 0.000 0.987 552 Y HN 0.166 nan 8.280 nan 0.000 0.509 553 W N 0.133 121.028 121.300 -0.674 0.000 2.374 553 W HA -0.203 4.465 4.660 0.013 0.000 0.288 553 W C 2.598 178.947 176.519 -0.283 0.000 1.218 553 W CA 1.462 58.526 57.345 -0.468 0.000 1.245 553 W CB -0.376 28.876 29.460 -0.348 0.000 1.126 553 W HN 0.086 nan 8.180 nan 0.000 0.545 554 Q N 0.692 120.406 119.800 -0.142 0.000 2.119 554 Q HA -0.140 4.207 4.340 0.012 0.000 0.201 554 Q C 2.161 178.108 176.000 -0.088 0.000 0.972 554 Q CA 1.910 57.671 55.803 -0.070 0.000 0.847 554 Q CB -0.474 28.233 28.738 -0.051 0.000 0.903 554 Q HN 0.270 nan 8.270 nan 0.000 0.433 555 A N 0.006 122.685 122.820 -0.236 0.000 1.897 555 A HA -0.077 4.251 4.320 0.012 0.000 0.215 555 A C 2.034 179.606 177.584 -0.020 0.000 1.181 555 A CA 0.914 52.851 52.037 -0.167 0.000 0.620 555 A CB -1.035 17.738 19.000 -0.380 0.000 0.821 555 A HN 0.459 nan 8.150 nan 0.000 0.443 556 F N -0.330 119.453 119.950 -0.279 0.000 2.126 556 F HA -0.224 4.311 4.527 0.012 0.000 0.299 556 F C 2.752 178.457 175.800 -0.157 0.000 1.096 556 F CA 1.189 58.992 58.000 -0.328 0.000 1.255 556 F CB -0.157 38.423 39.000 -0.700 0.000 0.997 556 F HN 0.152 nan 8.300 nan 0.000 0.479 557 R N -0.030 120.527 120.500 0.095 0.000 2.115 557 R HA -0.150 4.197 4.340 0.012 0.000 0.226 557 R C 2.104 178.437 176.300 0.056 0.000 1.100 557 R CA 1.028 57.166 56.100 0.063 0.000 0.980 557 R CB -0.326 30.007 30.300 0.054 0.000 0.875 557 R HN 0.371 nan 8.270 nan 0.000 0.445 558 Q N -0.378 119.483 119.800 0.103 0.000 2.212 558 Q HA -0.051 4.296 4.340 0.012 0.000 0.199 558 Q C -0.502 175.526 176.000 0.046 0.000 0.950 558 Q CA 0.869 56.722 55.803 0.083 0.000 0.863 558 Q CB 0.402 29.220 28.738 0.134 0.000 0.944 558 Q HN 0.180 nan 8.270 nan 0.000 0.465 559 Y N 0.105 120.388 120.300 -0.028 0.000 2.342 559 Y HA 0.281 4.838 4.550 0.011 0.000 0.338 559 Y C -1.809 174.067 175.900 -0.041 0.000 0.965 559 Y CA -2.872 55.211 58.100 -0.028 0.000 1.159 559 Y CB 1.481 39.930 38.460 -0.018 0.000 1.157 559 Y HN 0.105 nan 8.280 nan 0.000 0.486 560 P HA -0.150 nan 4.420 nan 0.000 0.215 560 P C 1.023 178.324 177.300 0.003 0.000 1.157 560 P CA 1.843 64.944 63.100 0.001 0.000 0.868 560 P CB 0.312 31.998 31.700 -0.024 0.000 0.788 561 R N -1.085 119.436 120.500 0.035 0.000 2.316 561 R HA 0.061 4.408 4.340 0.012 0.000 0.202 561 R C 0.493 176.776 176.300 -0.028 0.000 1.029 561 R CA 0.244 56.348 56.100 0.006 0.000 1.018 561 R CB -0.585 29.725 30.300 0.017 0.000 0.888 561 R HN 0.250 nan 8.270 nan 0.000 0.471 562 L N 2.069 123.293 121.223 0.002 0.000 2.302 562 L HA 0.126 4.473 4.340 0.012 0.000 0.285 562 L C 0.522 177.242 176.870 -0.250 0.000 1.090 562 L CA 0.120 54.913 54.840 -0.078 0.000 0.866 562 L CB 1.049 43.142 42.059 0.058 0.000 1.244 562 L HN 0.098 nan 8.230 nan 0.000 0.435 563 Q N 2.808 122.388 119.800 -0.367 0.000 2.211 563 Q HA 0.329 4.677 4.340 0.012 0.000 0.231 563 Q C 0.779 176.355 176.000 -0.708 0.000 0.865 563 Q CA 0.035 55.579 55.803 -0.433 0.000 0.997 563 Q CB 1.052 29.634 28.738 -0.261 0.000 1.101 563 Q HN 0.930 nan 8.270 nan 0.000 0.468 564 G N -0.374 107.627 108.800 -1.331 0.000 2.428 564 G HA2 0.134 4.101 3.960 0.012 0.000 0.202 564 G HA3 0.134 4.101 3.960 0.012 0.000 0.202 564 G C -0.419 173.652 174.900 -1.382 0.000 1.247 564 G CA -0.755 43.219 45.100 -1.877 0.000 1.020 564 G HN 0.536 nan 8.290 nan 0.000 0.529 565 G N -2.140 106.109 108.800 -0.919 0.000 2.451 565 G HA2 0.658 4.625 3.960 0.012 0.000 0.292 565 G HA3 0.658 4.625 3.960 0.012 0.000 0.292 565 G C -1.837 172.990 174.900 -0.122 0.000 1.427 565 G CA -0.420 44.371 45.100 -0.514 0.000 0.792 565 G HN 1.086 nan 8.290 nan 0.000 0.498 566 F N 0.730 120.915 119.950 0.393 0.000 2.403 566 F HA 0.505 5.038 4.527 0.011 0.000 0.355 566 F C 0.795 176.869 175.800 0.456 0.000 1.119 566 F CA -0.729 57.514 58.000 0.405 0.000 1.007 566 F CB 2.080 41.215 39.000 0.224 0.000 1.194 566 F HN 0.250 nan 8.300 nan 0.000 0.443 567 V N 3.416 123.624 119.914 0.490 0.000 2.872 567 V HA -0.138 3.989 4.120 0.012 0.000 0.307 567 V C -0.254 175.962 176.094 0.202 0.000 1.072 567 V CA -0.226 62.144 62.300 0.117 0.000 1.148 567 V CB 0.802 32.688 31.823 0.105 0.000 0.954 567 V HN 0.748 nan 8.190 nan 0.000 0.490 568 W N 6.451 127.801 121.300 0.083 0.000 2.278 568 W HA 0.470 5.137 4.660 0.011 0.000 0.317 568 W C -0.866 175.612 176.519 -0.067 0.000 1.030 568 W CA -0.659 56.762 57.345 0.127 0.000 1.334 568 W CB 1.233 30.942 29.460 0.416 0.000 1.215 568 W HN 0.910 nan 8.180 nan 0.000 0.405 569 D N 2.823 122.888 120.400 -0.557 0.000 2.759 569 D HA 0.079 4.726 4.640 0.012 0.000 0.321 569 D C 0.637 176.674 176.300 -0.439 0.000 1.267 569 D CA -0.595 52.951 54.000 -0.756 0.000 0.933 569 D CB 0.200 40.005 40.800 -1.658 0.000 1.431 569 D HN 0.423 nan 8.370 nan 0.000 0.504 570 W N 0.507 121.461 121.300 -0.577 0.000 2.380 570 W HA 0.086 4.753 4.660 0.012 0.000 0.317 570 W C -0.100 176.166 176.519 -0.422 0.000 1.196 570 W CA 1.153 58.215 57.345 -0.473 0.000 1.307 570 W CB 0.312 29.525 29.460 -0.411 0.000 1.157 570 W HN 0.162 nan 8.180 nan 0.000 0.483 571 V N 2.862 122.514 119.914 -0.436 0.000 2.531 571 V HA 0.227 4.354 4.120 0.012 0.000 0.301 571 V C -0.785 175.090 176.094 -0.364 0.000 1.034 571 V CA -0.817 61.190 62.300 -0.490 0.000 0.865 571 V CB 1.334 32.984 31.823 -0.287 0.000 0.995 571 V HN -0.091 nan 8.190 nan 0.000 0.424 572 D N 4.259 124.441 120.400 -0.362 0.000 2.506 572 D HA 0.069 4.716 4.640 0.012 0.000 0.234 572 D C 0.429 176.556 176.300 -0.289 0.000 1.143 572 D CA 0.651 54.500 54.000 -0.253 0.000 0.871 572 D CB 0.906 41.663 40.800 -0.072 0.000 1.190 572 D HN 0.634 nan 8.370 nan 0.000 0.459 573 Q N 0.890 120.443 119.800 -0.411 0.000 2.620 573 Q HA 0.103 4.450 4.340 0.012 0.000 0.333 573 Q C -0.049 175.902 176.000 -0.083 0.000 1.017 573 Q CA -0.301 55.016 55.803 -0.810 0.000 0.962 573 Q CB 0.061 28.476 28.738 -0.539 0.000 1.297 573 Q HN 0.352 nan 8.270 nan 0.000 0.419 574 S N -0.304 115.466 115.700 0.117 0.000 2.586 574 S HA 0.544 5.021 4.470 0.012 0.000 0.274 574 S C -0.062 174.710 174.600 0.286 0.000 1.281 574 S CA -0.706 57.668 58.200 0.289 0.000 1.035 574 S CB 1.257 64.614 63.200 0.262 0.000 0.962 574 S HN 0.310 nan 8.310 nan 0.000 0.512 575 L N 2.150 123.462 121.223 0.149 0.000 2.330 575 L HA 0.525 4.872 4.340 0.012 0.000 0.271 575 L C -0.304 176.475 176.870 -0.152 0.000 1.013 575 L CA -1.268 53.537 54.840 -0.059 0.000 0.816 575 L CB 1.372 43.302 42.059 -0.216 0.000 1.287 575 L HN 0.551 nan 8.230 nan 0.000 0.435 576 I N 2.324 122.748 120.570 -0.243 0.000 2.441 576 I HA 0.251 4.428 4.170 0.012 0.000 0.287 576 I C 0.170 175.916 176.117 -0.618 0.000 1.049 576 I CA -0.015 61.012 61.300 -0.454 0.000 1.381 576 I CB 1.022 38.763 38.000 -0.432 0.000 1.409 576 I HN 0.573 nan 8.210 nan 0.000 0.523 577 K N 5.625 125.371 120.400 -1.089 0.000 2.350 577 K HA 0.578 4.905 4.320 0.012 0.000 0.241 577 K C -1.577 174.251 176.600 -1.288 0.000 0.994 577 K CA -0.715 54.832 56.287 -1.233 0.000 0.839 577 K CB 2.297 33.817 32.500 -1.633 0.000 1.244 577 K HN 0.258 nan 8.250 nan 0.000 0.443 578 Y N 0.975 121.016 120.300 -0.433 0.000 2.361 578 Y HA 0.100 4.658 4.550 0.012 0.000 0.337 578 Y C 0.006 176.008 175.900 0.171 0.000 0.965 578 Y CA -1.106 56.946 58.100 -0.080 0.000 1.091 578 Y CB 1.445 39.863 38.460 -0.069 0.000 1.182 578 Y HN 0.711 nan 8.280 nan 0.000 0.450 579 D N 0.639 121.307 120.400 0.447 0.000 2.393 579 D HA -0.021 4.626 4.640 0.012 0.000 0.246 579 D C 0.991 177.396 176.300 0.175 0.000 1.275 579 D CA -0.106 54.074 54.000 0.301 0.000 0.979 579 D CB 0.792 41.704 40.800 0.187 0.000 1.101 579 D HN 0.416 nan 8.370 nan 0.000 0.505 580 E N -0.602 119.661 120.200 0.104 0.000 2.171 580 E HA -0.161 4.196 4.350 0.012 0.000 0.197 580 E C 0.998 177.632 176.600 0.057 0.000 0.997 580 E CA 0.888 57.326 56.400 0.063 0.000 0.810 580 E CB -0.262 29.458 29.700 0.033 0.000 0.738 580 E HN 0.443 nan 8.360 nan 0.000 0.467 581 N N -0.580 118.162 118.700 0.070 0.000 2.398 581 N HA 0.028 4.775 4.740 0.012 0.000 0.188 581 N C 0.884 176.441 175.510 0.078 0.000 1.122 581 N CA 0.838 53.925 53.050 0.061 0.000 0.866 581 N CB 0.769 39.289 38.487 0.057 0.000 0.970 581 N HN 0.201 nan 8.380 nan 0.000 0.462 582 G N 1.194 110.063 108.800 0.116 0.000 2.160 582 G HA2 -0.250 3.717 3.960 0.012 0.000 0.251 582 G HA3 -0.250 3.717 3.960 0.012 0.000 0.251 582 G C -0.338 174.715 174.900 0.255 0.000 1.008 582 G CA -0.291 44.890 45.100 0.134 0.000 0.724 582 G HN 0.301 nan 8.290 nan 0.000 0.514 583 N N 1.405 120.262 118.700 0.263 0.000 2.456 583 N HA 0.460 5.207 4.740 0.012 0.000 0.288 583 N C -2.552 173.111 175.510 0.256 0.000 1.059 583 N CA -1.312 51.887 53.050 0.248 0.000 0.946 583 N CB 2.000 40.583 38.487 0.160 0.000 1.150 583 N HN 0.156 nan 8.380 nan 0.000 0.479 584 P HA 0.213 nan 4.420 nan 0.000 0.275 584 P C -0.540 176.665 177.300 -0.157 0.000 1.228 584 P CA -0.159 62.694 63.100 -0.413 0.000 0.786 584 P CB 0.560 32.069 31.700 -0.318 0.000 0.927 585 W N -0.589 120.437 121.300 -0.457 0.000 3.213 585 W HA 0.355 5.022 4.660 0.012 0.000 0.318 585 W C -1.411 174.906 176.519 -0.337 0.000 1.248 585 W CA -1.004 56.096 57.345 -0.409 0.000 1.187 585 W CB 0.236 29.219 29.460 -0.795 0.000 1.403 585 W HN 0.112 nan 8.180 nan 0.000 0.556 586 S N 1.754 117.504 115.700 0.082 0.000 2.455 586 S HA 0.524 5.002 4.470 0.012 0.000 0.278 586 S C 0.269 174.986 174.600 0.194 0.000 1.216 586 S CA -0.091 58.155 58.200 0.077 0.000 1.055 586 S CB 0.651 63.958 63.200 0.178 0.000 0.939 586 S HN 0.603 nan 8.310 nan 0.000 0.494 587 A N 3.062 125.866 122.820 -0.025 0.000 2.330 587 A HA 0.894 5.221 4.320 0.012 0.000 0.329 587 A C -0.667 177.155 177.584 0.396 0.000 1.135 587 A CA -0.753 51.321 52.037 0.063 0.000 0.817 587 A CB 0.732 19.473 19.000 -0.433 0.000 1.269 587 A HN 0.835 nan 8.150 nan 0.000 0.469 588 Y N -1.048 119.567 120.300 0.525 0.000 2.965 588 Y HA 0.759 5.317 4.550 0.012 0.000 0.310 588 Y C 0.607 176.869 175.900 0.603 0.000 1.480 588 Y CA -1.474 56.940 58.100 0.523 0.000 1.094 588 Y CB -0.071 38.536 38.460 0.245 0.000 1.377 588 Y HN 0.987 nan 8.280 nan 0.000 0.514 589 G N 0.018 109.217 108.800 0.664 0.000 2.187 589 G HA2 0.356 4.323 3.960 0.012 0.000 0.239 589 G HA3 0.356 4.323 3.960 0.012 0.000 0.239 589 G C 1.015 176.245 174.900 0.549 0.000 1.200 589 G CA 0.559 45.989 45.100 0.550 0.000 0.888 589 G HN 2.028 nan 8.290 nan 0.000 0.482 590 G N 2.158 111.246 108.800 0.480 0.000 2.267 590 G HA2 -0.299 3.668 3.960 0.012 0.000 0.257 590 G HA3 -0.299 3.668 3.960 0.012 0.000 0.257 590 G C 0.920 176.022 174.900 0.336 0.000 0.998 590 G CA 0.726 46.045 45.100 0.365 0.000 0.620 590 G HN 0.671 nan 8.290 nan 0.000 0.529 591 D N -0.206 120.409 120.400 0.358 0.000 2.392 591 D HA 0.108 4.755 4.640 0.012 0.000 0.228 591 D C 1.133 177.292 176.300 -0.236 0.000 1.003 591 D CA 0.586 54.626 54.000 0.067 0.000 0.917 591 D CB -0.219 40.559 40.800 -0.036 0.000 0.890 591 D HN 0.494 nan 8.370 nan 0.000 0.532 592 F N -1.013 119.058 119.950 0.201 0.000 2.764 592 F HA 0.323 4.857 4.527 0.012 0.000 0.310 592 F C 1.743 177.627 175.800 0.140 0.000 1.124 592 F CA -0.289 57.790 58.000 0.131 0.000 1.252 592 F CB 0.832 39.901 39.000 0.116 0.000 1.010 592 F HN -0.049 nan 8.300 nan 0.000 0.518 593 G N 0.223 109.177 108.800 0.256 0.000 2.179 593 G HA2 -0.284 3.684 3.960 0.012 0.000 0.260 593 G HA3 -0.284 3.684 3.960 0.012 0.000 0.260 593 G C -0.117 174.917 174.900 0.223 0.000 0.977 593 G CA 0.160 45.381 45.100 0.201 0.000 0.641 593 G HN 0.407 nan 8.290 nan 0.000 0.533 594 D N 0.637 121.219 120.400 0.303 0.000 2.425 594 D HA 0.486 5.133 4.640 0.012 0.000 0.247 594 D C 0.243 176.664 176.300 0.201 0.000 1.147 594 D CA 1.089 55.255 54.000 0.278 0.000 0.879 594 D CB 1.478 42.504 40.800 0.377 0.000 1.179 594 D HN 0.667 nan 8.370 nan 0.000 0.456 595 T N 0.528 115.169 114.554 0.145 0.000 3.087 595 T HA 0.394 4.751 4.350 0.012 0.000 0.351 595 T C -2.866 171.870 174.700 0.060 0.000 1.520 595 T CA -1.125 61.031 62.100 0.093 0.000 1.111 595 T CB 1.071 69.994 68.868 0.093 0.000 1.353 595 T HN 0.275 nan 8.240 nan 0.000 0.481 596 P HA 0.519 nan 4.420 nan 0.000 0.273 596 P C -0.871 176.414 177.300 -0.025 0.000 1.250 596 P CA -0.237 62.860 63.100 -0.006 0.000 0.793 596 P CB 0.253 31.924 31.700 -0.048 0.000 1.011 597 N N -2.078 116.597 118.700 -0.041 0.000 2.927 597 N HA 0.258 5.005 4.740 0.012 0.000 0.248 597 N C -1.196 174.246 175.510 -0.114 0.000 1.443 597 N CA -0.750 52.247 53.050 -0.088 0.000 0.870 597 N CB 0.596 39.129 38.487 0.076 0.000 1.444 597 N HN 0.094 nan 8.380 nan 0.000 0.519 598 D N -0.143 120.142 120.400 -0.192 0.000 2.670 598 D HA 0.219 4.866 4.640 0.012 0.000 0.255 598 D C 0.143 176.590 176.300 0.246 0.000 1.286 598 D CA -0.221 53.740 54.000 -0.065 0.000 0.830 598 D CB 0.140 40.791 40.800 -0.248 0.000 1.065 598 D HN 0.390 nan 8.370 nan 0.000 0.486 599 R N 1.067 121.747 120.500 0.300 0.000 3.750 599 R HA -0.248 4.100 4.340 0.012 0.000 0.495 599 R C 1.561 177.946 176.300 0.141 0.000 0.241 599 R CA 1.431 57.729 56.100 0.330 0.000 1.551 599 R CB -1.648 28.726 30.300 0.124 0.000 0.956 599 R HN 0.329 nan 8.270 nan 0.000 0.584 600 Q N 1.312 120.890 119.800 -0.371 0.000 2.482 600 Q HA -0.034 4.313 4.340 0.012 0.000 0.209 600 Q C 1.720 177.558 176.000 -0.270 0.000 0.961 600 Q CA 1.226 56.621 55.803 -0.679 0.000 0.945 600 Q CB -0.236 27.905 28.738 -0.995 0.000 1.012 600 Q HN 0.519 nan 8.270 nan 0.000 0.515 601 F N 2.382 122.239 119.950 -0.155 0.000 2.449 601 F HA -0.145 4.389 4.527 0.012 0.000 0.299 601 F C 1.930 177.680 175.800 -0.083 0.000 1.092 601 F CA 0.857 58.835 58.000 -0.037 0.000 1.446 601 F CB -0.122 38.918 39.000 0.067 0.000 1.084 601 F HN 0.438 nan 8.300 nan 0.000 0.567 602 C N -0.964 118.016 119.300 -0.532 0.000 2.576 602 C HA 0.262 4.729 4.460 0.012 0.000 0.267 602 C C 0.989 175.719 174.990 -0.433 0.000 1.364 602 C CA -0.527 58.017 59.018 -0.791 0.000 1.723 602 C CB -1.872 24.846 27.740 -1.705 0.000 1.778 602 C HN 0.212 nan 8.230 nan 0.000 0.572 603 M N 2.612 122.011 119.600 -0.334 0.000 2.055 603 M HA 0.286 4.773 4.480 0.012 0.000 0.346 603 M C -0.452 175.698 176.300 -0.249 0.000 1.074 603 M CA 0.363 55.527 55.300 -0.226 0.000 1.009 603 M CB 0.169 32.707 32.600 -0.104 0.000 1.423 603 M HN 0.355 nan 8.290 nan 0.000 0.410 604 N N 0.960 119.490 118.700 -0.283 0.000 2.232 604 N HA 0.191 4.938 4.740 0.012 0.000 0.240 604 N C 0.348 175.611 175.510 -0.411 0.000 1.307 604 N CA -0.519 52.321 53.050 -0.350 0.000 0.859 604 N CB 1.229 39.541 38.487 -0.292 0.000 1.260 604 N HN 0.678 nan 8.380 nan 0.000 0.501 605 G N -0.036 108.493 108.800 -0.451 0.000 2.528 605 G HA2 0.353 4.320 3.960 0.012 0.000 0.289 605 G HA3 0.353 4.320 3.960 0.012 0.000 0.289 605 G C 0.683 175.104 174.900 -0.798 0.000 1.192 605 G CA -0.525 44.209 45.100 -0.610 0.000 0.921 605 G HN 0.094 nan 8.290 nan 0.000 0.512 606 L N -0.392 120.367 121.223 -0.773 0.000 2.341 606 L HA 0.143 4.491 4.340 0.012 0.000 0.214 606 L C 0.855 177.132 176.870 -0.989 0.000 1.115 606 L CA 0.308 54.715 54.840 -0.720 0.000 0.820 606 L CB -0.219 41.559 42.059 -0.468 0.000 0.944 606 L HN 0.379 nan 8.230 nan 0.000 0.452 607 V N -4.890 114.306 119.914 -1.197 0.000 2.914 607 V HA 0.475 4.602 4.120 0.012 0.000 0.314 607 V C -0.278 175.316 176.094 -0.835 0.000 1.084 607 V CA -1.251 60.475 62.300 -0.956 0.000 0.963 607 V CB 1.647 32.947 31.823 -0.873 0.000 1.025 607 V HN -0.133 nan 8.190 nan 0.000 0.432 608 F N 1.604 121.403 119.950 -0.251 0.000 2.440 608 F HA 0.552 5.086 4.527 0.012 0.000 0.323 608 F C 1.950 177.670 175.800 -0.134 0.000 1.192 608 F CA 0.523 58.502 58.000 -0.035 0.000 1.252 608 F CB 1.002 40.030 39.000 0.047 0.000 1.214 608 F HN 0.783 nan 8.300 nan 0.000 0.578 609 A N 0.766 123.674 122.820 0.146 0.000 2.024 609 A HA -0.222 4.105 4.320 0.012 0.000 0.220 609 A C 1.611 179.170 177.584 -0.042 0.000 1.164 609 A CA 1.883 53.952 52.037 0.053 0.000 0.643 609 A CB -0.914 18.156 19.000 0.116 0.000 0.806 609 A HN 0.789 nan 8.150 nan 0.000 0.451 610 D N -2.801 117.592 120.400 -0.011 0.000 2.319 610 D HA 0.135 4.783 4.640 0.012 0.000 0.230 610 D C 0.589 176.876 176.300 -0.022 0.000 1.094 610 D CA -0.052 53.912 54.000 -0.060 0.000 0.856 610 D CB -0.115 40.652 40.800 -0.055 0.000 0.915 610 D HN 0.185 nan 8.370 nan 0.000 0.517 611 R N -1.802 118.685 120.500 -0.021 0.000 3.892 611 R HA -0.119 4.228 4.340 0.012 0.000 0.441 611 R C -0.314 175.985 176.300 -0.002 0.000 1.052 611 R CA 1.078 57.155 56.100 -0.038 0.000 1.190 611 R CB -3.202 27.110 30.300 0.020 0.000 1.808 611 R HN 0.263 nan 8.270 nan 0.000 0.538 612 T N 2.290 116.895 114.554 0.084 0.000 2.884 612 T HA 0.404 4.761 4.350 0.012 0.000 0.298 612 T C -2.308 172.508 174.700 0.192 0.000 0.998 612 T CA -0.914 61.270 62.100 0.141 0.000 1.124 612 T CB 1.226 70.197 68.868 0.170 0.000 0.931 612 T HN -0.111 nan 8.240 nan 0.000 0.531 613 P HA 0.229 nan 4.420 nan 0.000 0.278 613 P C -0.203 177.146 177.300 0.082 0.000 1.238 613 P CA -0.352 62.747 63.100 -0.001 0.000 0.794 613 P CB 0.478 32.177 31.700 -0.002 0.000 0.955 614 H N 2.302 121.188 119.070 -0.307 0.000 2.488 614 H HA 0.146 4.710 4.556 0.012 0.000 0.347 614 H C -1.321 173.902 175.328 -0.175 0.000 1.174 614 H CA -2.004 53.832 56.048 -0.353 0.000 1.307 614 H CB 0.599 30.105 29.762 -0.427 0.000 1.517 614 H HN 0.317 nan 8.280 nan 0.000 0.554 615 P HA -0.126 nan 4.420 nan 0.000 0.220 615 P C 1.103 178.404 177.300 0.003 0.000 1.148 615 P CA 1.194 64.281 63.100 -0.021 0.000 0.803 615 P CB 0.064 31.744 31.700 -0.033 0.000 0.782 616 A N -0.430 122.394 122.820 0.006 0.000 2.070 616 A HA -0.158 4.169 4.320 0.012 0.000 0.220 616 A C 2.044 179.591 177.584 -0.062 0.000 1.159 616 A CA 1.030 53.041 52.037 -0.043 0.000 0.656 616 A CB -1.567 17.376 19.000 -0.095 0.000 0.800 616 A HN 0.143 nan 8.150 nan 0.000 0.453 617 L N -0.281 120.915 121.223 -0.045 0.000 2.043 617 L HA -0.172 4.175 4.340 0.012 0.000 0.212 617 L C 2.535 179.454 176.870 0.082 0.000 1.075 617 L CA 2.823 57.669 54.840 0.011 0.000 0.752 617 L CB -1.133 40.927 42.059 0.001 0.000 0.891 617 L HN 0.399 nan 8.230 nan 0.000 0.432 618 T N -1.782 112.826 114.554 0.091 0.000 2.833 618 T HA -0.213 4.145 4.350 0.012 0.000 0.269 618 T C 1.821 176.642 174.700 0.203 0.000 1.054 618 T CA 1.501 63.710 62.100 0.181 0.000 1.135 618 T CB -0.154 68.797 68.868 0.138 0.000 0.869 618 T HN 0.507 nan 8.240 nan 0.000 0.466 619 E N 0.606 120.872 120.200 0.111 0.000 2.106 619 E HA 0.086 4.443 4.350 0.012 0.000 0.192 619 E C 2.174 178.830 176.600 0.093 0.000 0.984 619 E CA 1.297 57.775 56.400 0.129 0.000 0.806 619 E CB -0.594 29.158 29.700 0.087 0.000 0.750 619 E HN 0.545 nan 8.360 nan 0.000 0.458 620 A N 0.909 123.689 122.820 -0.067 0.000 1.898 620 A HA -0.190 4.137 4.320 0.012 0.000 0.216 620 A C 2.143 179.655 177.584 -0.119 0.000 1.181 620 A CA 1.753 53.717 52.037 -0.120 0.000 0.620 620 A CB -0.567 18.334 19.000 -0.165 0.000 0.819 620 A HN 0.245 nan 8.150 nan 0.000 0.442 621 K N -1.125 119.263 120.400 -0.019 0.000 2.063 621 K HA -0.284 4.043 4.320 0.012 0.000 0.208 621 K C 2.038 178.549 176.600 -0.149 0.000 1.048 621 K CA 2.021 58.297 56.287 -0.018 0.000 0.928 621 K CB -0.325 32.310 32.500 0.224 0.000 0.713 621 K HN 0.670 nan 8.250 nan 0.000 0.442 622 H N 0.251 119.162 119.070 -0.265 0.000 2.333 622 H HA 0.004 4.568 4.556 0.012 0.000 0.302 622 H C 1.927 176.987 175.328 -0.446 0.000 1.075 622 H CA 1.657 57.361 56.048 -0.573 0.000 1.348 622 H CB 0.119 29.521 29.762 -0.600 0.000 1.393 622 H HN 0.217 nan 8.280 nan 0.000 0.509 623 Q N 0.271 119.846 119.800 -0.375 0.000 2.226 623 Q HA -0.106 4.242 4.340 0.012 0.000 0.204 623 Q C 1.419 176.861 176.000 -0.930 0.000 0.975 623 Q CA 1.172 56.641 55.803 -0.556 0.000 0.866 623 Q CB 0.028 28.566 28.738 -0.334 0.000 0.915 623 Q HN 0.718 nan 8.270 nan 0.000 0.440 624 Q N 0.216 119.446 119.800 -0.951 0.000 2.280 624 Q HA 0.082 4.429 4.340 0.012 0.000 0.202 624 Q C -0.099 175.359 176.000 -0.904 0.000 0.903 624 Q CA -0.217 54.878 55.803 -1.180 0.000 0.948 624 Q CB 0.313 28.401 28.738 -1.084 0.000 1.058 624 Q HN 0.364 nan 8.270 nan 0.000 0.493 625 Q N -0.486 118.924 119.800 -0.650 0.000 2.428 625 Q HA -0.028 4.319 4.340 0.012 0.000 0.276 625 Q C -0.134 175.526 176.000 -0.567 0.000 1.059 625 Q CA 0.398 55.954 55.803 -0.412 0.000 0.923 625 Q CB 0.475 29.046 28.738 -0.277 0.000 1.283 625 Q HN 0.307 nan 8.270 nan 0.000 0.447 626 F N 0.367 120.084 119.950 -0.388 0.000 2.727 626 F HA 0.214 4.748 4.527 0.012 0.000 0.302 626 F C -0.261 174.905 175.800 -1.056 0.000 1.097 626 F CA -0.033 57.486 58.000 -0.802 0.000 1.330 626 F CB 0.540 38.776 39.000 -1.274 0.000 1.084 626 F HN 0.291 nan 8.300 nan 0.000 0.578 627 F N 0.401 120.259 119.950 -0.152 0.000 2.529 627 F HA 0.488 5.023 4.527 0.013 0.000 0.320 627 F C -0.174 175.270 175.800 -0.593 0.000 1.118 627 F CA -1.155 56.642 58.000 -0.338 0.000 0.915 627 F CB 1.281 40.073 39.000 -0.346 0.000 1.161 627 F HN -0.306 nan 8.300 nan 0.000 0.445 628 Q N 2.929 122.441 119.800 -0.480 0.000 2.301 628 Q HA 0.625 4.972 4.340 0.012 0.000 0.267 628 Q C -1.381 174.316 176.000 -0.506 0.000 1.035 628 Q CA -0.707 54.865 55.803 -0.385 0.000 0.856 628 Q CB 3.011 31.655 28.738 -0.155 0.000 1.337 628 Q HN 0.562 nan 8.270 nan 0.000 0.450 629 F N -0.105 119.969 119.950 0.207 0.000 2.576 629 F HA 0.598 5.133 4.527 0.013 0.000 0.313 629 F C 0.288 176.332 175.800 0.407 0.000 1.078 629 F CA -0.862 57.339 58.000 0.335 0.000 0.921 629 F CB 2.031 41.362 39.000 0.551 0.000 1.232 629 F HN 0.153 nan 8.300 nan 0.000 0.459 630 R N 1.307 122.111 120.500 0.507 0.000 2.795 630 R HA 0.788 5.135 4.340 0.012 0.000 0.275 630 R C -1.968 174.396 176.300 0.107 0.000 0.981 630 R CA -1.281 55.045 56.100 0.376 0.000 0.917 630 R CB 2.931 33.345 30.300 0.191 0.000 1.202 630 R HN 0.585 nan 8.270 nan 0.000 0.469 631 L N 0.157 121.302 121.223 -0.130 0.000 2.385 631 L HA 0.529 4.876 4.340 0.012 0.000 0.273 631 L C -1.113 175.592 176.870 -0.276 0.000 0.990 631 L CA 0.048 54.570 54.840 -0.530 0.000 0.821 631 L CB 2.306 43.519 42.059 -1.410 0.000 1.279 631 L HN 0.528 nan 8.230 nan 0.000 0.412 632 S N 3.457 119.019 115.700 -0.230 0.000 2.620 632 S HA 0.633 5.110 4.470 0.012 0.000 0.244 632 S C 0.404 174.911 174.600 -0.154 0.000 1.192 632 S CA 0.175 58.288 58.200 -0.145 0.000 1.148 632 S CB 0.219 63.369 63.200 -0.082 0.000 1.106 632 S HN 1.456 nan 8.310 nan 0.000 0.474 633 G N 4.298 113.004 108.800 -0.157 0.000 2.686 633 G HA2 -0.354 3.614 3.960 0.012 0.000 0.329 633 G HA3 -0.354 3.614 3.960 0.012 0.000 0.329 633 G C 0.539 175.332 174.900 -0.178 0.000 1.187 633 G CA 0.962 45.976 45.100 -0.143 0.000 0.965 633 G HN 0.669 nan 8.290 nan 0.000 0.549 634 Q N 0.816 120.521 119.800 -0.158 0.000 2.320 634 Q HA 0.279 4.626 4.340 0.012 0.000 0.201 634 Q C 0.144 176.023 176.000 -0.202 0.000 0.910 634 Q CA 0.622 56.314 55.803 -0.185 0.000 0.946 634 Q CB 0.572 29.221 28.738 -0.148 0.000 1.062 634 Q HN 0.382 nan 8.270 nan 0.000 0.503 635 T N 0.815 115.257 114.554 -0.187 0.000 2.792 635 T HA 0.485 4.842 4.350 0.012 0.000 0.280 635 T C -0.347 174.239 174.700 -0.189 0.000 0.990 635 T CA -0.442 61.559 62.100 -0.165 0.000 0.960 635 T CB 1.120 69.923 68.868 -0.109 0.000 0.939 635 T HN 0.035 nan 8.240 nan 0.000 0.439 636 I N 2.937 123.408 120.570 -0.165 0.000 2.321 636 I HA 0.319 4.496 4.170 0.012 0.000 0.291 636 I C 0.522 176.648 176.117 0.016 0.000 0.998 636 I CA -0.505 60.727 61.300 -0.114 0.000 1.227 636 I CB 1.136 39.090 38.000 -0.078 0.000 1.368 636 I HN 0.544 nan 8.210 nan 0.000 0.466 637 E N 6.865 127.110 120.200 0.074 0.000 2.113 637 E HA 0.405 4.762 4.350 0.012 0.000 0.273 637 E C -1.475 175.230 176.600 0.175 0.000 0.924 637 E CA -0.608 55.850 56.400 0.097 0.000 0.764 637 E CB 1.536 31.274 29.700 0.065 0.000 1.104 637 E HN 0.353 nan 8.360 nan 0.000 0.406 638 V N 4.226 124.225 119.914 0.142 0.000 2.407 638 V HA 0.312 4.439 4.120 0.012 0.000 0.278 638 V C 0.035 176.144 176.094 0.025 0.000 1.037 638 V CA -0.425 61.924 62.300 0.082 0.000 0.900 638 V CB 1.643 33.544 31.823 0.129 0.000 0.983 638 V HN 0.708 nan 8.190 nan 0.000 0.459 639 T N 3.309 117.831 114.554 -0.054 0.000 2.807 639 T HA 0.345 4.702 4.350 0.012 0.000 0.279 639 T C -0.076 174.596 174.700 -0.047 0.000 0.993 639 T CA -0.306 61.776 62.100 -0.029 0.000 0.970 639 T CB 1.586 70.424 68.868 -0.051 0.000 0.950 639 T HN 0.693 nan 8.240 nan 0.000 0.441 640 S N 1.673 117.357 115.700 -0.027 0.000 2.537 640 S HA 0.214 4.691 4.470 0.012 0.000 0.275 640 S C 0.780 175.230 174.600 -0.249 0.000 1.272 640 S CA -0.527 57.568 58.200 -0.175 0.000 1.050 640 S CB 0.604 63.791 63.200 -0.021 0.000 0.961 640 S HN 0.721 nan 8.310 nan 0.000 0.496 641 E N 2.737 122.683 120.200 -0.422 0.000 2.481 641 E HA 0.093 4.450 4.350 0.012 0.000 0.198 641 E C -0.712 175.712 176.600 -0.294 0.000 1.027 641 E CA -0.097 56.107 56.400 -0.326 0.000 0.900 641 E CB 0.260 29.752 29.700 -0.346 0.000 0.993 641 E HN 0.700 nan 8.360 nan 0.000 0.482 642 Y N 0.589 120.764 120.300 -0.207 0.000 2.497 642 Y HA -0.021 4.536 4.550 0.012 0.000 0.334 642 Y C 1.433 177.178 175.900 -0.258 0.000 1.199 642 Y CA 0.011 57.998 58.100 -0.189 0.000 1.425 642 Y CB 0.733 39.070 38.460 -0.205 0.000 1.291 642 Y HN -0.029 nan 8.280 nan 0.000 0.562 643 L N 1.543 122.628 121.223 -0.230 0.000 2.408 643 L HA 0.036 4.383 4.340 0.012 0.000 0.215 643 L C 0.686 177.130 176.870 -0.710 0.000 1.081 643 L CA 0.689 55.145 54.840 -0.641 0.000 0.840 643 L CB 0.002 41.270 42.059 -1.318 0.000 1.002 643 L HN 0.644 nan 8.230 nan 0.000 0.468 644 F N -0.472 119.500 119.950 0.037 0.000 2.778 644 F HA 0.222 4.755 4.527 0.011 0.000 0.314 644 F C 1.169 176.954 175.800 -0.026 0.000 1.073 644 F CA -0.758 57.233 58.000 -0.015 0.000 1.218 644 F CB 0.382 39.349 39.000 -0.056 0.000 1.037 644 F HN -0.114 nan 8.300 nan 0.000 0.594 645 R N -0.284 120.256 120.500 0.066 0.000 2.732 645 R HA 0.512 4.859 4.340 0.012 0.000 0.278 645 R C -1.160 175.141 176.300 0.002 0.000 0.976 645 R CA -0.742 55.348 56.100 -0.017 0.000 0.963 645 R CB 1.078 31.261 30.300 -0.195 0.000 1.150 645 R HN 0.018 nan 8.270 nan 0.000 0.478 646 H N 0.303 119.358 119.070 -0.026 0.000 2.546 646 H HA 0.127 4.691 4.556 0.012 0.000 0.365 646 H C -0.003 175.343 175.328 0.031 0.000 1.220 646 H CA 0.307 56.372 56.048 0.028 0.000 1.386 646 H CB 1.231 31.012 29.762 0.032 0.000 1.510 646 H HN 0.743 nan 8.280 nan 0.000 0.591 647 S N 1.408 117.108 115.700 -0.001 0.000 4.183 647 S HA 0.002 4.479 4.470 0.012 0.000 0.195 647 S C -0.031 174.670 174.600 0.169 0.000 1.421 647 S CA -0.264 58.020 58.200 0.140 0.000 0.920 647 S CB -0.780 62.508 63.200 0.148 0.000 1.525 647 S HN 0.695 nan 8.310 nan 0.000 0.447 648 D N 0.503 120.997 120.400 0.158 0.000 2.324 648 D HA 0.037 4.684 4.640 0.012 0.000 0.235 648 D C 0.374 176.723 176.300 0.081 0.000 1.095 648 D CA -0.089 53.990 54.000 0.131 0.000 0.871 648 D CB -0.277 40.584 40.800 0.102 0.000 0.906 648 D HN 0.495 nan 8.370 nan 0.000 0.522 649 N N 0.002 118.753 118.700 0.084 0.000 2.639 649 N HA 0.171 4.918 4.740 0.012 0.000 0.265 649 N C -1.679 173.883 175.510 0.085 0.000 1.689 649 N CA -0.228 52.862 53.050 0.068 0.000 0.813 649 N CB 0.264 38.780 38.487 0.049 0.000 1.353 649 N HN -0.030 nan 8.380 nan 0.000 0.510 650 E N -0.120 120.124 120.200 0.072 0.000 2.363 650 E HA 0.494 4.852 4.350 0.012 0.000 0.281 650 E C -1.584 175.038 176.600 0.036 0.000 0.953 650 E CA -0.724 55.708 56.400 0.053 0.000 0.778 650 E CB 1.872 31.567 29.700 -0.009 0.000 1.220 650 E HN 0.289 nan 8.360 nan 0.000 0.431 651 L N -0.054 121.199 121.223 0.050 0.000 2.371 651 L HA 0.767 5.114 4.340 0.012 0.000 0.262 651 L C -1.536 175.388 176.870 0.090 0.000 1.006 651 L CA -1.047 53.832 54.840 0.065 0.000 0.818 651 L CB 1.048 43.154 42.059 0.078 0.000 1.354 651 L HN 0.483 nan 8.230 nan 0.000 0.415 652 L N 2.418 123.705 121.223 0.107 0.000 2.272 652 L HA 0.505 4.852 4.340 0.012 0.000 0.289 652 L C -0.674 176.307 176.870 0.186 0.000 1.032 652 L CA 0.120 55.058 54.840 0.164 0.000 0.810 652 L CB 0.411 42.579 42.059 0.182 0.000 1.205 652 L HN 0.710 nan 8.230 nan 0.000 0.422 653 H N 5.981 125.137 119.070 0.143 0.000 2.467 653 H HA 0.351 4.914 4.556 0.012 0.000 0.326 653 H C -1.461 173.969 175.328 0.169 0.000 1.094 653 H CA -0.370 55.732 56.048 0.089 0.000 1.253 653 H CB 0.962 30.733 29.762 0.015 0.000 1.439 653 H HN 0.739 nan 8.280 nan 0.000 0.479 654 W N 5.471 126.748 121.300 -0.039 0.000 2.844 654 W HA 0.522 5.189 4.660 0.012 0.000 0.340 654 W C -1.782 174.808 176.519 0.118 0.000 1.093 654 W CA -1.390 56.002 57.345 0.079 0.000 1.212 654 W CB 1.186 30.662 29.460 0.026 0.000 1.422 654 W HN 0.556 nan 8.180 nan 0.000 0.515 655 M N 3.641 123.433 119.600 0.320 0.000 2.371 655 M HA 0.636 5.123 4.480 0.012 0.000 0.287 655 M C -2.592 173.901 176.300 0.322 0.000 1.149 655 M CA -0.401 54.978 55.300 0.133 0.000 0.929 655 M CB 2.211 34.847 32.600 0.060 0.000 1.683 655 M HN 0.158 nan 8.290 nan 0.000 0.470 656 V N 3.533 123.619 119.914 0.286 0.000 2.495 656 V HA 1.028 5.155 4.120 0.012 0.000 0.298 656 V C -0.461 175.743 176.094 0.182 0.000 1.031 656 V CA -0.125 62.347 62.300 0.288 0.000 0.871 656 V CB 1.451 33.471 31.823 0.328 0.000 0.988 656 V HN 1.106 nan 8.190 nan 0.000 0.432 657 A N 4.231 127.165 122.820 0.191 0.000 2.515 657 A HA 0.870 5.197 4.320 0.012 0.000 0.298 657 A C -1.554 176.135 177.584 0.175 0.000 1.059 657 A CA -0.607 51.509 52.037 0.132 0.000 0.698 657 A CB 1.740 20.780 19.000 0.066 0.000 1.289 657 A HN 0.865 nan 8.150 nan 0.000 0.404 658 L N 1.461 122.759 121.223 0.124 0.000 2.262 658 L HA 0.523 4.870 4.340 0.012 0.000 0.288 658 L C -0.499 176.459 176.870 0.146 0.000 1.035 658 L CA 0.252 55.176 54.840 0.141 0.000 0.820 658 L CB 0.307 42.421 42.059 0.092 0.000 1.204 658 L HN 0.742 nan 8.230 nan 0.000 0.424 659 D N 4.990 125.538 120.400 0.246 0.000 2.720 659 D HA -0.214 4.433 4.640 0.012 0.000 0.229 659 D C 1.200 177.558 176.300 0.097 0.000 1.198 659 D CA 1.520 55.679 54.000 0.264 0.000 0.639 659 D CB -0.962 39.959 40.800 0.202 0.000 1.003 659 D HN 1.180 nan 8.370 nan 0.000 0.411 660 G N -0.614 108.204 108.800 0.030 0.000 2.199 660 G HA2 -0.365 3.603 3.960 0.012 0.000 0.254 660 G HA3 -0.365 3.603 3.960 0.012 0.000 0.254 660 G C 0.213 175.050 174.900 -0.106 0.000 0.982 660 G CA 0.518 45.533 45.100 -0.143 0.000 0.632 660 G HN 0.500 nan 8.290 nan 0.000 0.529 661 K N 1.933 122.316 120.400 -0.029 0.000 2.253 661 K HA 0.471 4.798 4.320 0.012 0.000 0.277 661 K C -2.658 173.937 176.600 -0.009 0.000 1.053 661 K CA -1.977 54.293 56.287 -0.029 0.000 0.892 661 K CB 1.940 34.437 32.500 -0.005 0.000 1.102 661 K HN 0.050 nan 8.250 nan 0.000 0.469 662 P HA -0.016 nan 4.420 nan 0.000 0.267 662 P C -0.033 177.269 177.300 0.002 0.000 1.209 662 P CA 0.185 63.273 63.100 -0.021 0.000 0.763 662 P CB 0.718 32.387 31.700 -0.053 0.000 0.816 663 L N 1.730 122.970 121.223 0.030 0.000 2.445 663 L HA 0.441 4.788 4.340 0.012 0.000 0.207 663 L C 1.000 177.898 176.870 0.047 0.000 1.053 663 L CA 0.506 55.373 54.840 0.046 0.000 0.841 663 L CB 0.085 42.189 42.059 0.075 0.000 1.074 663 L HN 0.396 nan 8.230 nan 0.000 0.479 664 A N -0.513 122.338 122.820 0.052 0.000 2.608 664 A HA 0.679 5.006 4.320 0.012 0.000 0.292 664 A C -0.966 176.470 177.584 -0.247 0.000 1.066 664 A CA 0.095 52.145 52.037 0.021 0.000 0.676 664 A CB 1.706 20.849 19.000 0.237 0.000 1.277 664 A HN 0.122 nan 8.150 nan 0.000 0.413 665 S N -0.888 114.413 115.700 -0.665 0.000 2.636 665 S HA 0.940 5.417 4.470 0.012 0.000 0.266 665 S C -0.282 173.410 174.600 -1.514 0.000 1.147 665 S CA 0.044 57.372 58.200 -1.453 0.000 0.815 665 S CB 0.821 63.652 63.200 -0.615 0.000 1.119 665 S HN 2.714 nan 8.310 nan 0.000 0.470 666 G N -0.317 107.327 108.800 -1.927 0.000 2.430 666 G HA2 0.580 4.548 3.960 0.012 0.000 0.300 666 G HA3 0.580 4.548 3.960 0.012 0.000 0.300 666 G C -2.331 171.967 174.900 -1.004 0.000 1.330 666 G CA -0.684 43.824 45.100 -0.988 0.000 0.813 666 G HN 0.809 nan 8.290 nan 0.000 0.487 667 E N -1.449 118.534 120.200 -0.361 0.000 2.340 667 E HA 0.658 5.015 4.350 0.012 0.000 0.273 667 E C -1.440 175.185 176.600 0.042 0.000 0.891 667 E CA -0.739 55.530 56.400 -0.219 0.000 0.757 667 E CB 3.228 32.841 29.700 -0.145 0.000 1.231 667 E HN 0.355 nan 8.360 nan 0.000 0.439 668 V N 3.358 123.327 119.914 0.092 0.000 2.808 668 V HA 0.377 4.504 4.120 0.012 0.000 0.308 668 V C -2.438 173.704 176.094 0.080 0.000 1.099 668 V CA -1.846 60.513 62.300 0.097 0.000 0.920 668 V CB 2.195 34.091 31.823 0.122 0.000 1.014 668 V HN 0.595 nan 8.190 nan 0.000 0.425 669 P HA 0.170 nan 4.420 nan 0.000 0.268 669 P C -0.862 176.476 177.300 0.062 0.000 1.204 669 P CA 0.067 63.205 63.100 0.063 0.000 0.768 669 P CB 0.820 32.556 31.700 0.060 0.000 0.842 670 L N 3.246 124.499 121.223 0.050 0.000 2.282 670 L HA 0.325 4.672 4.340 0.012 0.000 0.288 670 L C 0.088 176.995 176.870 0.062 0.000 1.033 670 L CA 0.057 54.915 54.840 0.030 0.000 0.807 670 L CB 0.970 42.995 42.059 -0.058 0.000 1.209 670 L HN 0.340 nan 8.230 nan 0.000 0.423 671 D N 2.741 123.185 120.400 0.073 0.000 2.405 671 D HA 0.347 4.994 4.640 0.012 0.000 0.264 671 D C -1.235 175.063 176.300 -0.004 0.000 1.240 671 D CA -0.043 54.044 54.000 0.144 0.000 0.893 671 D CB 1.267 42.203 40.800 0.225 0.000 1.198 671 D HN 0.012 nan 8.370 nan 0.000 0.514 672 V N 1.495 121.253 119.914 -0.260 0.000 2.604 672 V HA 0.820 4.948 4.120 0.012 0.000 0.305 672 V C 0.581 176.356 176.094 -0.531 0.000 1.043 672 V CA -1.089 61.087 62.300 -0.208 0.000 0.888 672 V CB 1.642 33.483 31.823 0.030 0.000 0.995 672 V HN 0.498 nan 8.190 nan 0.000 0.429 673 A N 6.528 129.183 122.820 -0.276 0.000 2.313 673 A HA 0.701 5.029 4.320 0.012 0.000 0.261 673 A C -2.296 175.263 177.584 -0.043 0.000 1.090 673 A CA -1.427 50.538 52.037 -0.120 0.000 0.807 673 A CB -0.173 18.892 19.000 0.109 0.000 1.055 673 A HN 0.666 nan 8.150 nan 0.000 0.492 674 P HA -0.019 nan 4.420 nan 0.000 0.264 674 P C -0.362 176.924 177.300 -0.022 0.000 1.183 674 P CA 0.603 63.707 63.100 0.006 0.000 0.763 674 P CB 0.482 32.179 31.700 -0.005 0.000 0.807 675 Q N -1.245 118.525 119.800 -0.050 0.000 2.284 675 Q HA -0.193 4.154 4.340 0.012 0.000 0.205 675 Q C 0.817 176.798 176.000 -0.031 0.000 0.682 675 Q CA 1.813 57.580 55.803 -0.059 0.000 1.401 675 Q CB -2.316 26.385 28.738 -0.062 0.000 1.643 675 Q HN 0.786 nan 8.270 nan 0.000 0.717 676 G N 0.163 108.955 108.800 -0.013 0.000 2.537 676 G HA2 0.548 4.516 3.960 0.012 0.000 0.297 676 G HA3 0.548 4.516 3.960 0.012 0.000 0.297 676 G C -0.206 174.699 174.900 0.009 0.000 1.310 676 G CA -0.527 44.575 45.100 0.003 0.000 1.027 676 G HN 0.003 nan 8.290 nan 0.000 0.505 677 K N -0.911 119.501 120.400 0.020 0.000 2.444 677 K HA 0.538 4.865 4.320 0.012 0.000 0.252 677 K C -1.013 175.611 176.600 0.039 0.000 0.993 677 K CA -0.677 55.627 56.287 0.030 0.000 0.847 677 K CB 2.544 35.059 32.500 0.023 0.000 1.340 677 K HN 0.536 nan 8.250 nan 0.000 0.446 678 Q N 1.886 121.715 119.800 0.049 0.000 2.309 678 Q HA 0.389 4.736 4.340 0.012 0.000 0.273 678 Q C -1.766 174.263 176.000 0.048 0.000 1.040 678 Q CA -0.627 55.206 55.803 0.049 0.000 0.834 678 Q CB 1.602 30.374 28.738 0.057 0.000 1.345 678 Q HN 0.525 nan 8.270 nan 0.000 0.414 679 L N 4.583 125.825 121.223 0.031 0.000 2.309 679 L HA 0.596 4.943 4.340 0.012 0.000 0.282 679 L C -0.493 176.380 176.870 0.005 0.000 1.036 679 L CA -0.786 54.063 54.840 0.015 0.000 0.806 679 L CB 1.421 43.480 42.059 -0.000 0.000 1.220 679 L HN 0.611 nan 8.230 nan 0.000 0.429 680 I N 2.468 123.030 120.570 -0.013 0.000 2.439 680 I HA 0.224 4.401 4.170 0.012 0.000 0.285 680 I C -0.659 175.397 176.117 -0.101 0.000 1.021 680 I CA -0.561 60.716 61.300 -0.039 0.000 1.091 680 I CB 2.215 40.206 38.000 -0.014 0.000 1.242 680 I HN 0.539 nan 8.210 nan 0.000 0.439 681 E N 6.272 126.409 120.200 -0.104 0.000 2.167 681 E HA 0.442 4.800 4.350 0.012 0.000 0.284 681 E C -0.732 175.746 176.600 -0.202 0.000 1.016 681 E CA -0.287 56.028 56.400 -0.140 0.000 0.817 681 E CB 1.230 30.872 29.700 -0.098 0.000 1.080 681 E HN 0.409 nan 8.360 nan 0.000 0.397 682 L N 5.105 126.146 121.223 -0.303 0.000 2.418 682 L HA 0.385 4.733 4.340 0.012 0.000 0.265 682 L C -1.726 174.965 176.870 -0.299 0.000 1.143 682 L CA -2.000 52.560 54.840 -0.467 0.000 0.809 682 L CB 0.371 42.036 42.059 -0.656 0.000 1.124 682 L HN 0.394 nan 8.230 nan 0.000 0.456 683 P HA -0.013 nan 4.420 nan 0.000 0.272 683 P C -0.704 176.534 177.300 -0.102 0.000 1.254 683 P CA -0.452 62.581 63.100 -0.111 0.000 0.795 683 P CB 0.332 32.037 31.700 0.009 0.000 1.022 684 E N 0.930 121.108 120.200 -0.038 0.000 2.324 684 E HA 0.098 4.455 4.350 0.012 0.000 0.271 684 E C -0.733 175.873 176.600 0.010 0.000 1.028 684 E CA -0.065 56.321 56.400 -0.024 0.000 0.890 684 E CB 0.014 29.706 29.700 -0.012 0.000 1.004 684 E HN 0.254 nan 8.360 nan 0.000 0.431 685 L N 4.924 126.148 121.223 0.001 0.000 2.440 685 L HA 0.506 4.853 4.340 0.012 0.000 0.262 685 L C -1.787 175.108 176.870 0.043 0.000 1.072 685 L CA -2.340 52.525 54.840 0.043 0.000 0.798 685 L CB 0.478 42.550 42.059 0.022 0.000 1.307 685 L HN 0.557 nan 8.230 nan 0.000 0.475 686 P HA 0.079 nan 4.420 nan 0.000 0.272 686 P C -0.969 176.349 177.300 0.030 0.000 1.240 686 P CA -0.179 62.949 63.100 0.047 0.000 0.791 686 P CB 0.743 32.477 31.700 0.057 0.000 0.978 687 Q N -0.544 119.271 119.800 0.024 0.000 2.084 687 Q HA 0.214 4.561 4.340 0.012 0.000 0.230 687 Q C -2.064 173.947 176.000 0.017 0.000 0.806 687 Q CA -1.034 54.778 55.803 0.015 0.000 1.083 687 Q CB -0.216 28.527 28.738 0.009 0.000 1.208 687 Q HN 0.447 nan 8.270 nan 0.000 0.462 688 P HA -0.196 nan 4.420 nan 0.000 0.264 688 P C -0.224 177.088 177.300 0.020 0.000 1.139 688 P CA 1.008 64.123 63.100 0.024 0.000 0.754 688 P CB 0.796 32.515 31.700 0.032 0.000 0.737 689 E N 0.549 120.761 120.200 0.019 0.000 2.452 689 E HA -0.005 4.352 4.350 0.012 0.000 0.197 689 E C 0.820 177.432 176.600 0.020 0.000 1.022 689 E CA 0.014 56.423 56.400 0.016 0.000 0.890 689 E CB -0.092 29.616 29.700 0.014 0.000 0.918 689 E HN 0.465 nan 8.360 nan 0.000 0.496 690 S N 1.379 117.093 115.700 0.023 0.000 2.546 690 S HA 0.238 4.715 4.470 0.012 0.000 0.290 690 S C 0.348 174.967 174.600 0.033 0.000 1.290 690 S CA -0.169 58.048 58.200 0.028 0.000 1.069 690 S CB 0.315 63.533 63.200 0.029 0.000 0.846 690 S HN 0.283 nan 8.310 nan 0.000 0.495 691 A N 4.111 126.952 122.820 0.035 0.000 2.520 691 A HA 0.609 4.936 4.320 0.012 0.000 0.235 691 A C 1.040 178.655 177.584 0.052 0.000 1.065 691 A CA 0.430 52.491 52.037 0.040 0.000 0.764 691 A CB -0.710 18.315 19.000 0.041 0.000 1.002 691 A HN 1.997 nan 8.150 nan 0.000 0.502 692 G N -0.156 108.674 108.800 0.051 0.000 2.361 692 G HA2 0.448 4.415 3.960 0.012 0.000 0.331 692 G HA3 0.448 4.415 3.960 0.012 0.000 0.331 692 G C -1.114 173.815 174.900 0.049 0.000 1.324 692 G CA -0.170 44.973 45.100 0.071 0.000 0.984 692 G HN 1.203 nan 8.290 nan 0.000 0.586 693 Q N -0.384 119.457 119.800 0.070 0.000 2.293 693 Q HA 0.742 5.089 4.340 0.012 0.000 0.261 693 Q C -0.432 175.598 176.000 0.050 0.000 0.960 693 Q CA -0.602 55.194 55.803 -0.012 0.000 0.882 693 Q CB 1.354 30.032 28.738 -0.102 0.000 1.275 693 Q HN 0.587 nan 8.270 nan 0.000 0.445 694 L N 4.134 125.338 121.223 -0.031 0.000 2.326 694 L HA 0.490 4.837 4.340 0.012 0.000 0.278 694 L C -0.850 176.002 176.870 -0.029 0.000 1.092 694 L CA -0.384 54.487 54.840 0.051 0.000 0.810 694 L CB 0.731 42.811 42.059 0.036 0.000 1.153 694 L HN 0.668 nan 8.230 nan 0.000 0.439 695 W N 4.365 125.696 121.300 0.053 0.000 2.739 695 W HA 0.515 5.182 4.660 0.012 0.000 0.331 695 W C -0.767 175.842 176.519 0.151 0.000 1.049 695 W CA -0.520 56.879 57.345 0.089 0.000 1.234 695 W CB 1.697 31.211 29.460 0.090 0.000 1.404 695 W HN 0.145 nan 8.180 nan 0.000 0.477 696 L N 3.607 125.101 121.223 0.452 0.000 2.295 696 L HA 0.779 5.126 4.340 0.012 0.000 0.285 696 L C -0.291 176.874 176.870 0.492 0.000 1.035 696 L CA 0.352 55.450 54.840 0.430 0.000 0.806 696 L CB 1.280 43.559 42.059 0.368 0.000 1.214 696 L HN 0.308 nan 8.230 nan 0.000 0.426 697 T N 5.127 119.923 114.554 0.403 0.000 2.848 697 T HA 0.650 5.007 4.350 0.012 0.000 0.285 697 T C -0.812 174.083 174.700 0.325 0.000 0.995 697 T CA -0.379 61.919 62.100 0.329 0.000 0.970 697 T CB 1.552 70.548 68.868 0.212 0.000 0.976 697 T HN 0.633 nan 8.240 nan 0.000 0.441 698 V N 1.755 121.830 119.914 0.269 0.000 2.864 698 V HA 0.865 4.992 4.120 0.012 0.000 0.314 698 V C -0.794 175.397 176.094 0.162 0.000 1.073 698 V CA -1.164 61.271 62.300 0.225 0.000 0.956 698 V CB 2.032 33.944 31.823 0.150 0.000 1.023 698 V HN 0.809 nan 8.190 nan 0.000 0.435 699 R N 1.875 122.500 120.500 0.208 0.000 2.673 699 R HA 0.780 5.127 4.340 0.012 0.000 0.281 699 R C -1.599 174.848 176.300 0.245 0.000 0.991 699 R CA -0.724 55.524 56.100 0.246 0.000 0.896 699 R CB 2.660 33.068 30.300 0.181 0.000 1.201 699 R HN 0.704 nan 8.270 nan 0.000 0.457 700 V N 3.539 123.621 119.914 0.280 0.000 2.407 700 V HA 0.376 4.503 4.120 0.012 0.000 0.278 700 V C -0.364 175.839 176.094 0.183 0.000 1.037 700 V CA -0.517 61.908 62.300 0.207 0.000 0.900 700 V CB 1.630 33.569 31.823 0.194 0.000 0.983 700 V HN 0.429 nan 8.190 nan 0.000 0.459 701 V N 5.158 125.156 119.914 0.141 0.000 2.555 701 V HA 0.412 4.539 4.120 0.012 0.000 0.302 701 V C -0.257 175.908 176.094 0.118 0.000 1.038 701 V CA -0.789 61.583 62.300 0.119 0.000 0.887 701 V CB 1.977 33.861 31.823 0.101 0.000 0.991 701 V HN 0.865 nan 8.190 nan 0.000 0.434 702 Q N 5.388 125.268 119.800 0.134 0.000 2.390 702 Q HA 0.263 4.610 4.340 0.012 0.000 0.249 702 Q C -1.693 174.347 176.000 0.066 0.000 0.996 702 Q CA -1.782 54.090 55.803 0.115 0.000 0.899 702 Q CB 1.887 30.710 28.738 0.143 0.000 1.216 702 Q HN 0.492 nan 8.270 nan 0.000 0.465 703 P HA -0.158 nan 4.420 nan 0.000 0.219 703 P C -0.508 176.799 177.300 0.011 0.000 1.150 703 P CA 1.116 64.237 63.100 0.035 0.000 0.814 703 P CB 0.384 32.107 31.700 0.037 0.000 0.787 704 N N -0.626 118.072 118.700 -0.003 0.000 2.456 704 N HA 0.450 5.197 4.740 0.012 0.000 0.296 704 N C -0.228 175.238 175.510 -0.073 0.000 1.102 704 N CA -0.711 52.321 53.050 -0.029 0.000 0.924 704 N CB 1.040 39.511 38.487 -0.026 0.000 1.186 704 N HN -0.047 nan 8.380 nan 0.000 0.492 705 A N 0.471 123.240 122.820 -0.084 0.000 2.296 705 A HA 0.572 4.899 4.320 0.012 0.000 0.264 705 A C 0.478 177.945 177.584 -0.195 0.000 1.097 705 A CA -0.121 51.830 52.037 -0.143 0.000 0.811 705 A CB 0.161 19.101 19.000 -0.100 0.000 1.072 705 A HN 0.705 nan 8.150 nan 0.000 0.495 706 T N -3.859 110.503 114.554 -0.319 0.000 2.742 706 T HA 0.612 4.969 4.350 0.012 0.000 0.282 706 T C 1.004 175.559 174.700 -0.241 0.000 1.025 706 T CA 0.106 62.001 62.100 -0.341 0.000 1.020 706 T CB 0.986 69.400 68.868 -0.757 0.000 1.317 706 T HN 1.438 nan 8.240 nan 0.000 0.538 707 A N 0.080 122.840 122.820 -0.100 0.000 1.978 707 A HA 0.053 4.381 4.320 0.012 0.000 0.220 707 A C 1.687 179.395 177.584 0.207 0.000 1.170 707 A CA 1.497 53.576 52.037 0.071 0.000 0.636 707 A CB -0.915 18.167 19.000 0.137 0.000 0.810 707 A HN 0.939 nan 8.150 nan 0.000 0.448 708 W N -0.807 120.556 121.300 0.105 0.000 2.702 708 W HA 0.459 5.127 4.660 0.013 0.000 0.369 708 W C -0.243 176.255 176.519 -0.036 0.000 0.987 708 W CA 0.418 57.808 57.345 0.076 0.000 1.702 708 W CB -1.113 28.381 29.460 0.056 0.000 1.138 708 W HN 0.436 nan 8.180 nan 0.000 0.552 709 S N -0.112 115.206 115.700 -0.637 0.000 2.565 709 S HA 0.467 4.944 4.470 0.012 0.000 0.269 709 S C -1.045 173.320 174.600 -0.391 0.000 1.153 709 S CA -0.771 57.043 58.200 -0.643 0.000 0.835 709 S CB 2.727 65.144 63.200 -1.304 0.000 1.122 709 S HN 0.125 nan 8.310 nan 0.000 0.462 710 E N 0.576 120.660 120.200 -0.194 0.000 2.250 710 E HA 0.619 4.976 4.350 0.012 0.000 0.269 710 E C 0.176 176.746 176.600 -0.050 0.000 1.018 710 E CA -1.053 55.293 56.400 -0.089 0.000 0.873 710 E CB 1.545 31.237 29.700 -0.012 0.000 1.134 710 E HN 0.901 nan 8.360 nan 0.000 0.403 711 A N 0.702 123.499 122.820 -0.038 0.000 2.561 711 A HA 0.316 4.643 4.320 0.012 0.000 0.234 711 A C 1.231 178.828 177.584 0.021 0.000 1.055 711 A CA 0.973 53.001 52.037 -0.014 0.000 0.756 711 A CB -0.621 18.371 19.000 -0.013 0.000 0.986 711 A HN 0.852 nan 8.150 nan 0.000 0.505 712 G N 0.560 109.382 108.800 0.037 0.000 2.205 712 G HA2 -0.289 3.678 3.960 0.012 0.000 0.261 712 G HA3 -0.289 3.678 3.960 0.012 0.000 0.261 712 G C 0.325 175.271 174.900 0.078 0.000 0.980 712 G CA 0.917 46.044 45.100 0.044 0.000 0.632 712 G HN 1.911 nan 8.290 nan 0.000 0.533 713 H N 0.840 119.916 119.070 0.009 0.000 3.115 713 H HA 0.364 4.927 4.556 0.012 0.000 0.324 713 H C 0.768 176.165 175.328 0.116 0.000 1.007 713 H CA 0.571 56.651 56.048 0.053 0.000 1.385 713 H CB 0.134 29.906 29.762 0.017 0.000 1.351 713 H HN 0.332 nan 8.280 nan 0.000 0.592 714 I N 4.576 124.909 120.570 -0.395 0.000 2.331 714 I HA 0.038 4.215 4.170 0.012 0.000 0.292 714 I C 0.816 176.789 176.117 -0.239 0.000 0.998 714 I CA 0.067 61.261 61.300 -0.177 0.000 1.267 714 I CB 1.522 39.481 38.000 -0.068 0.000 1.386 714 I HN 0.793 nan 8.210 nan 0.000 0.476 715 S N 3.997 119.778 115.700 0.135 0.000 2.512 715 S HA 0.587 5.064 4.470 0.012 0.000 0.216 715 S C 0.344 175.198 174.600 0.425 0.000 1.006 715 S CA -0.158 58.255 58.200 0.354 0.000 0.915 715 S CB 0.655 64.192 63.200 0.561 0.000 0.824 715 S HN 0.713 nan 8.310 nan 0.000 0.497 716 A N 0.634 123.736 122.820 0.471 0.000 2.608 716 A HA 0.684 5.011 4.320 0.012 0.000 0.292 716 A C -1.872 176.065 177.584 0.588 0.000 1.066 716 A CA -0.875 51.417 52.037 0.424 0.000 0.676 716 A CB 0.419 19.718 19.000 0.498 0.000 1.277 716 A HN 0.944 nan 8.150 nan 0.000 0.413 717 W N -0.161 121.322 121.300 0.306 0.000 3.066 717 W HA 0.789 5.456 4.660 0.013 0.000 0.330 717 W C -1.259 175.306 176.519 0.077 0.000 1.253 717 W CA -0.550 56.860 57.345 0.109 0.000 1.187 717 W CB 1.118 30.609 29.460 0.051 0.000 1.434 717 W HN 1.083 nan 8.180 nan 0.000 0.572 718 Q N 1.083 120.938 119.800 0.092 0.000 2.527 718 Q HA 0.442 4.789 4.340 0.012 0.000 0.280 718 Q C -1.645 174.226 176.000 -0.215 0.000 0.977 718 Q CA -0.444 55.265 55.803 -0.156 0.000 0.837 718 Q CB 2.360 30.816 28.738 -0.471 0.000 1.454 718 Q HN 0.608 nan 8.270 nan 0.000 0.387 719 Q N 1.520 121.158 119.800 -0.270 0.000 2.413 719 Q HA 0.633 4.980 4.340 0.012 0.000 0.276 719 Q C -1.104 174.801 176.000 -0.160 0.000 1.099 719 Q CA -0.700 55.113 55.803 0.016 0.000 0.814 719 Q CB 2.500 31.438 28.738 0.333 0.000 1.379 719 Q HN 0.600 nan 8.270 nan 0.000 0.436 720 W N 0.835 122.285 121.300 0.249 0.000 3.127 720 W HA 0.442 5.109 4.660 0.012 0.000 0.330 720 W C -0.373 176.085 176.519 -0.102 0.000 1.187 720 W CA -0.730 56.663 57.345 0.081 0.000 1.198 720 W CB 1.780 31.255 29.460 0.025 0.000 1.408 720 W HN 0.401 nan 8.180 nan 0.000 0.529 721 R N 1.861 122.256 120.500 -0.175 0.000 2.340 721 R HA 0.398 4.745 4.340 0.012 0.000 0.300 721 R C 0.538 176.704 176.300 -0.224 0.000 1.069 721 R CA -0.055 55.685 56.100 -0.600 0.000 0.984 721 R CB 0.987 30.864 30.300 -0.705 0.000 1.003 721 R HN 0.306 nan 8.270 nan 0.000 0.459 722 L N 1.389 122.492 121.223 -0.200 0.000 2.719 722 L HA 0.539 4.887 4.340 0.012 0.000 0.182 722 L C 0.658 177.450 176.870 -0.130 0.000 1.940 722 L CA -0.944 53.831 54.840 -0.108 0.000 2.839 722 L CB -0.174 41.856 42.059 -0.048 0.000 2.949 722 L HN 0.569 nan 8.230 nan 0.000 0.669 723 A N 0.080 122.849 122.820 -0.085 0.000 2.332 723 A HA 0.327 4.654 4.320 0.012 0.000 0.258 723 A C -0.444 177.089 177.584 -0.085 0.000 1.087 723 A CA -0.014 51.976 52.037 -0.078 0.000 0.802 723 A CB 0.525 19.497 19.000 -0.047 0.000 1.042 723 A HN 0.599 nan 8.150 nan 0.000 0.489 724 E N 0.628 120.782 120.200 -0.076 0.000 2.238 724 E HA 0.339 4.696 4.350 0.012 0.000 0.267 724 E C -1.402 175.182 176.600 -0.027 0.000 0.887 724 E CA -0.727 55.636 56.400 -0.062 0.000 0.769 724 E CB 0.923 30.575 29.700 -0.079 0.000 1.187 724 E HN 0.653 nan 8.360 nan 0.000 0.416 725 N N 4.759 123.455 118.700 -0.008 0.000 2.626 725 N HA 0.257 5.004 4.740 0.012 0.000 0.242 725 N C -0.611 174.908 175.510 0.014 0.000 1.005 725 N CA -0.329 52.724 53.050 0.004 0.000 0.905 725 N CB 1.030 39.525 38.487 0.012 0.000 1.128 725 N HN 0.473 nan 8.380 nan 0.000 0.512 726 L N 0.668 121.899 121.223 0.013 0.000 2.485 726 L HA 0.056 4.403 4.340 0.012 0.000 0.275 726 L C 1.306 178.194 176.870 0.029 0.000 1.207 726 L CA 0.320 55.174 54.840 0.023 0.000 0.855 726 L CB 0.331 42.403 42.059 0.022 0.000 1.114 726 L HN 0.330 nan 8.230 nan 0.000 0.485 727 S N 1.287 117.010 115.700 0.038 0.000 2.499 727 S HA 0.256 4.733 4.470 0.012 0.000 0.275 727 S C 0.676 175.297 174.600 0.035 0.000 1.257 727 S CA -0.820 57.403 58.200 0.038 0.000 1.050 727 S CB 0.927 64.155 63.200 0.047 0.000 0.937 727 S HN 0.461 nan 8.310 nan 0.000 0.490 728 V N 2.197 122.128 119.914 0.029 0.000 3.528 728 V HA 0.282 4.409 4.120 0.012 0.000 0.294 728 V C 0.643 176.752 176.094 0.024 0.000 1.404 728 V CA -0.003 62.312 62.300 0.025 0.000 1.065 728 V CB -0.749 31.086 31.823 0.020 0.000 0.904 728 V HN 0.826 nan 8.190 nan 0.000 0.435 729 T N 1.905 116.475 114.554 0.027 0.000 2.784 729 T HA 0.575 4.932 4.350 0.012 0.000 0.291 729 T C -0.262 174.454 174.700 0.027 0.000 0.942 729 T CA -0.123 61.992 62.100 0.026 0.000 1.161 729 T CB 0.563 69.448 68.868 0.028 0.000 0.885 729 T HN 0.245 nan 8.240 nan 0.000 0.534 730 L N 6.073 127.309 121.223 0.022 0.000 2.319 730 L HA 0.357 4.705 4.340 0.012 0.000 0.280 730 L C -1.343 175.539 176.870 0.020 0.000 1.099 730 L CA -1.547 53.305 54.840 0.020 0.000 0.828 730 L CB -0.224 41.843 42.059 0.014 0.000 1.150 730 L HN 0.559 nan 8.230 nan 0.000 0.442 731 P HA 0.262 nan 4.420 nan 0.000 0.275 731 P C -0.582 176.724 177.300 0.010 0.000 1.228 731 P CA -0.572 62.542 63.100 0.024 0.000 0.786 731 P CB 0.876 32.593 31.700 0.030 0.000 0.927 732 A N 2.384 125.209 122.820 0.009 0.000 2.483 732 A HA 0.455 4.782 4.320 0.012 0.000 0.238 732 A C 0.713 178.261 177.584 -0.060 0.000 1.070 732 A CA -0.003 52.025 52.037 -0.015 0.000 0.770 732 A CB -0.421 18.580 19.000 0.002 0.000 1.008 732 A HN 0.746 nan 8.150 nan 0.000 0.497 733 A N 1.920 124.682 122.820 -0.097 0.000 2.483 733 A HA 0.496 4.823 4.320 0.012 0.000 0.238 733 A C 0.912 178.316 177.584 -0.299 0.000 1.070 733 A CA 0.402 52.354 52.037 -0.142 0.000 0.770 733 A CB -0.292 18.637 19.000 -0.118 0.000 1.008 733 A HN 1.939 nan 8.150 nan 0.000 0.497 734 S N 0.868 116.425 115.700 -0.238 0.000 2.585 734 S HA 0.434 4.911 4.470 0.012 0.000 0.277 734 S C -0.242 174.170 174.600 -0.314 0.000 1.241 734 S CA -0.595 57.425 58.200 -0.299 0.000 1.041 734 S CB 0.404 63.580 63.200 -0.040 0.000 0.987 734 S HN 0.669 nan 8.310 nan 0.000 0.512 735 H N 1.219 120.306 119.070 0.028 0.000 2.794 735 H HA 0.730 5.293 4.556 0.012 0.000 0.256 735 H C 0.269 175.617 175.328 0.035 0.000 1.637 735 H CA 0.213 56.277 56.048 0.027 0.000 1.222 735 H CB -0.947 28.829 29.762 0.023 0.000 1.545 735 H HN 0.921 nan 8.280 nan 0.000 0.518 736 A N 1.182 124.060 122.820 0.097 0.000 2.569 736 A HA 0.530 4.857 4.320 0.012 0.000 0.292 736 A C -1.788 175.839 177.584 0.070 0.000 1.032 736 A CA -0.767 51.331 52.037 0.102 0.000 0.669 736 A CB 1.406 20.485 19.000 0.132 0.000 1.290 736 A HN 0.281 nan 8.150 nan 0.000 0.422 737 I N 1.607 122.233 120.570 0.093 0.000 2.586 737 I HA 0.562 4.739 4.170 0.012 0.000 0.288 737 I C -2.959 173.232 176.117 0.124 0.000 1.147 737 I CA -2.085 59.255 61.300 0.066 0.000 1.047 737 I CB 2.012 40.020 38.000 0.014 0.000 1.244 737 I HN 0.399 nan 8.210 nan 0.000 0.429 738 P HA 0.211 nan 4.420 nan 0.000 0.267 738 P C -0.975 176.421 177.300 0.160 0.000 1.200 738 P CA 0.420 63.605 63.100 0.141 0.000 0.772 738 P CB 0.346 32.070 31.700 0.041 0.000 0.855 739 H N 0.719 119.821 119.070 0.054 0.000 2.529 739 H HA 0.440 5.004 4.556 0.012 0.000 0.348 739 H C -0.589 174.768 175.328 0.048 0.000 1.152 739 H CA -0.877 55.193 56.048 0.036 0.000 1.202 739 H CB 2.099 31.884 29.762 0.039 0.000 1.562 739 H HN 0.257 nan 8.280 nan 0.000 0.515 740 L N 1.894 123.184 121.223 0.112 0.000 2.307 740 L HA 0.339 4.687 4.340 0.012 0.000 0.284 740 L C -0.550 176.391 176.870 0.117 0.000 1.023 740 L CA -0.076 54.820 54.840 0.093 0.000 0.810 740 L CB 1.725 43.783 42.059 -0.002 0.000 1.231 740 L HN 0.483 nan 8.230 nan 0.000 0.423 741 T N 3.510 118.153 114.554 0.148 0.000 2.812 741 T HA 0.602 4.959 4.350 0.012 0.000 0.282 741 T C -0.494 174.313 174.700 0.178 0.000 0.990 741 T CA -0.332 61.849 62.100 0.133 0.000 0.960 741 T CB 1.288 70.219 68.868 0.105 0.000 0.948 741 T HN 0.720 nan 8.240 nan 0.000 0.438 742 T N 2.547 117.202 114.554 0.168 0.000 2.912 742 T HA 0.802 5.159 4.350 0.012 0.000 0.288 742 T C -0.260 174.495 174.700 0.092 0.000 1.030 742 T CA -0.753 61.474 62.100 0.212 0.000 1.020 742 T CB 1.532 70.552 68.868 0.253 0.000 1.056 742 T HN 0.722 nan 8.240 nan 0.000 0.480 743 S N 0.227 115.939 115.700 0.019 0.000 2.671 743 S HA 0.444 4.921 4.470 0.012 0.000 0.277 743 S C 0.819 175.374 174.600 -0.076 0.000 1.165 743 S CA -0.858 57.334 58.200 -0.013 0.000 0.822 743 S CB 1.665 64.860 63.200 -0.009 0.000 1.150 743 S HN 0.741 nan 8.310 nan 0.000 0.479 744 E N -0.394 119.770 120.200 -0.060 0.000 2.118 744 E HA -0.150 4.208 4.350 0.012 0.000 0.195 744 E C 1.145 177.668 176.600 -0.130 0.000 0.992 744 E CA 1.373 57.723 56.400 -0.083 0.000 0.804 744 E CB -0.114 29.557 29.700 -0.048 0.000 0.741 744 E HN 0.585 nan 8.360 nan 0.000 0.458 745 M N 0.369 119.906 119.600 -0.105 0.000 2.501 745 M HA 0.146 4.634 4.480 0.012 0.000 0.261 745 M C -0.002 176.222 176.300 -0.127 0.000 1.129 745 M CA 0.690 55.933 55.300 -0.096 0.000 1.126 745 M CB 0.199 32.775 32.600 -0.039 0.000 1.359 745 M HN -0.082 nan 8.290 nan 0.000 0.471 746 D N -1.280 119.029 120.400 -0.152 0.000 2.570 746 D HA 0.425 5.072 4.640 0.012 0.000 0.244 746 D C -1.446 174.752 176.300 -0.171 0.000 1.178 746 D CA -0.352 53.575 54.000 -0.121 0.000 0.881 746 D CB 2.391 43.208 40.800 0.029 0.000 1.453 746 D HN -0.065 nan 8.370 nan 0.000 0.447 747 F N 0.885 120.919 119.950 0.140 0.000 2.460 747 F HA 0.374 4.909 4.527 0.012 0.000 0.341 747 F C -0.085 175.848 175.800 0.220 0.000 1.130 747 F CA -0.770 57.311 58.000 0.136 0.000 0.962 747 F CB 1.386 40.433 39.000 0.079 0.000 1.171 747 F HN 0.052 nan 8.300 nan 0.000 0.436 748 C N 4.759 124.280 119.300 0.367 0.000 2.455 748 C HA 0.761 5.228 4.460 0.012 0.000 0.320 748 C C -0.263 174.903 174.990 0.293 0.000 1.226 748 C CA -0.897 58.309 59.018 0.313 0.000 1.569 748 C CB 0.794 28.647 27.740 0.188 0.000 2.200 748 C HN 0.580 nan 8.230 nan 0.000 0.491 749 I N 2.175 122.972 120.570 0.378 0.000 2.569 749 I HA 0.538 4.715 4.170 0.012 0.000 0.296 749 I C -0.180 176.209 176.117 0.453 0.000 1.028 749 I CA -0.186 61.328 61.300 0.356 0.000 1.082 749 I CB 1.531 39.715 38.000 0.307 0.000 1.264 749 I HN 0.652 nan 8.210 nan 0.000 0.429 750 E N 5.269 125.669 120.200 0.333 0.000 2.266 750 E HA 0.742 5.099 4.350 0.012 0.000 0.268 750 E C -1.860 174.920 176.600 0.299 0.000 0.879 750 E CA -0.848 55.722 56.400 0.283 0.000 0.762 750 E CB 2.449 32.206 29.700 0.095 0.000 1.199 750 E HN 0.547 nan 8.360 nan 0.000 0.422 751 L N 4.870 126.285 121.223 0.319 0.000 2.620 751 L HA 0.493 4.840 4.340 0.012 0.000 0.261 751 L C 0.082 177.052 176.870 0.168 0.000 0.978 751 L CA 0.682 55.681 54.840 0.265 0.000 0.897 751 L CB 1.150 43.416 42.059 0.345 0.000 1.207 751 L HN 0.810 nan 8.230 nan 0.000 0.425 752 G N 4.385 113.237 108.800 0.086 0.000 2.611 752 G HA2 -0.439 3.529 3.960 0.012 0.000 0.301 752 G HA3 -0.439 3.529 3.960 0.012 0.000 0.301 752 G C 0.548 175.448 174.900 -0.000 0.000 1.233 752 G CA 0.642 45.765 45.100 0.038 0.000 0.993 752 G HN 1.285 nan 8.290 nan 0.000 0.553 753 N N 1.608 120.301 118.700 -0.011 0.000 2.449 753 N HA 0.089 4.836 4.740 0.012 0.000 0.191 753 N C 0.423 175.885 175.510 -0.079 0.000 1.161 753 N CA 1.045 54.068 53.050 -0.045 0.000 0.863 753 N CB 0.080 38.543 38.487 -0.040 0.000 0.980 753 N HN 0.773 nan 8.380 nan 0.000 0.458 754 K N 0.391 120.744 120.400 -0.078 0.000 2.203 754 K HA 0.535 4.863 4.320 0.012 0.000 0.251 754 K C -0.395 176.030 176.600 -0.292 0.000 0.944 754 K CA -0.644 55.485 56.287 -0.263 0.000 0.829 754 K CB 1.952 34.255 32.500 -0.329 0.000 1.125 754 K HN 0.041 nan 8.250 nan 0.000 0.430 755 R N 1.338 121.540 120.500 -0.497 0.000 2.626 755 R HA 0.422 4.770 4.340 0.012 0.000 0.274 755 R C -1.299 174.875 176.300 -0.210 0.000 1.031 755 R CA -0.901 55.107 56.100 -0.153 0.000 0.898 755 R CB 1.897 32.158 30.300 -0.065 0.000 1.222 755 R HN 0.560 nan 8.270 nan 0.000 0.455 756 W N 2.102 123.529 121.300 0.212 0.000 2.839 756 W HA 0.340 5.007 4.660 0.012 0.000 0.334 756 W C -0.616 176.013 176.519 0.183 0.000 1.064 756 W CA -0.606 56.818 57.345 0.131 0.000 1.236 756 W CB 2.372 31.901 29.460 0.115 0.000 1.405 756 W HN 0.451 nan 8.180 nan 0.000 0.478 757 Q N 2.639 122.604 119.800 0.275 0.000 2.333 757 Q HA 0.451 4.798 4.340 0.012 0.000 0.268 757 Q C -1.835 174.152 176.000 -0.023 0.000 1.007 757 Q CA -0.446 55.501 55.803 0.241 0.000 0.810 757 Q CB 1.231 30.160 28.738 0.318 0.000 1.264 757 Q HN 0.320 nan 8.270 nan 0.000 0.452 758 F N 2.803 122.850 119.950 0.162 0.000 2.411 758 F HA 0.314 4.848 4.527 0.012 0.000 0.352 758 F C 0.527 176.363 175.800 0.059 0.000 1.123 758 F CA -0.891 57.169 58.000 0.099 0.000 1.044 758 F CB 1.300 40.369 39.000 0.115 0.000 1.135 758 F HN 0.518 nan 8.300 nan 0.000 0.461 759 N N 3.850 122.648 118.700 0.163 0.000 2.420 759 N HA 0.075 4.822 4.740 0.012 0.000 0.262 759 N C 0.942 176.468 175.510 0.026 0.000 1.144 759 N CA 0.023 53.121 53.050 0.080 0.000 0.952 759 N CB 0.678 39.219 38.487 0.091 0.000 1.081 759 N HN 0.687 nan 8.380 nan 0.000 0.480 760 R N 2.325 122.768 120.500 -0.095 0.000 2.235 760 R HA -0.119 4.228 4.340 0.012 0.000 0.213 760 R C 1.649 177.888 176.300 -0.101 0.000 1.059 760 R CA 0.839 56.836 56.100 -0.172 0.000 0.997 760 R CB 0.179 30.257 30.300 -0.370 0.000 0.884 760 R HN 0.684 nan 8.270 nan 0.000 0.462 761 Q N 0.556 120.324 119.800 -0.055 0.000 2.134 761 Q HA -0.078 4.269 4.340 0.012 0.000 0.195 761 Q C 1.986 177.974 176.000 -0.020 0.000 0.958 761 Q CA 1.555 57.337 55.803 -0.034 0.000 0.840 761 Q CB 0.216 28.949 28.738 -0.009 0.000 0.918 761 Q HN 0.288 nan 8.270 nan 0.000 0.467 762 S N -1.399 114.315 115.700 0.024 0.000 2.446 762 S HA 0.145 4.622 4.470 0.012 0.000 0.225 762 S C 1.490 176.011 174.600 -0.130 0.000 1.016 762 S CA 0.751 58.983 58.200 0.053 0.000 0.943 762 S CB 0.164 63.512 63.200 0.247 0.000 0.786 762 S HN 0.722 nan 8.310 nan 0.000 0.508 763 G N 0.231 108.977 108.800 -0.091 0.000 2.143 763 G HA2 -0.211 3.756 3.960 0.012 0.000 0.249 763 G HA3 -0.211 3.756 3.960 0.012 0.000 0.249 763 G C -0.061 174.763 174.900 -0.128 0.000 0.981 763 G CA 0.295 45.307 45.100 -0.145 0.000 0.665 763 G HN 0.546 nan 8.290 nan 0.000 0.528 764 F N -1.388 118.733 119.950 0.286 0.000 2.618 764 F HA 0.684 5.218 4.527 0.012 0.000 0.332 764 F C 0.435 176.244 175.800 0.015 0.000 1.061 764 F CA -1.489 56.637 58.000 0.212 0.000 0.974 764 F CB 1.389 40.470 39.000 0.136 0.000 1.310 764 F HN 0.013 nan 8.300 nan 0.000 0.491 765 L N 1.741 122.986 121.223 0.036 0.000 2.565 765 L HA 0.157 4.504 4.340 0.012 0.000 0.275 765 L C 0.940 177.700 176.870 -0.184 0.000 1.137 765 L CA 0.480 55.025 54.840 -0.491 0.000 0.915 765 L CB 0.366 42.084 42.059 -0.568 0.000 1.232 765 L HN 0.704 nan 8.230 nan 0.000 0.473 766 S N 2.543 118.134 115.700 -0.182 0.000 2.492 766 S HA 0.243 4.720 4.470 0.012 0.000 0.218 766 S C 0.550 175.037 174.600 -0.189 0.000 1.016 766 S CA -0.024 58.117 58.200 -0.098 0.000 0.916 766 S CB 0.105 63.300 63.200 -0.007 0.000 0.791 766 S HN 0.679 nan 8.310 nan 0.000 0.513 767 Q N -0.286 119.350 119.800 -0.273 0.000 2.527 767 Q HA 0.683 5.030 4.340 0.012 0.000 0.280 767 Q C -1.975 173.710 176.000 -0.525 0.000 0.977 767 Q CA -0.320 55.194 55.803 -0.482 0.000 0.837 767 Q CB 1.677 30.017 28.738 -0.663 0.000 1.454 767 Q HN 0.407 nan 8.270 nan 0.000 0.387 768 M N 1.571 120.730 119.600 -0.735 0.000 2.484 768 M HA 0.603 5.090 4.480 0.012 0.000 0.289 768 M C -1.579 174.310 176.300 -0.687 0.000 1.206 768 M CA -0.407 54.533 55.300 -0.600 0.000 0.892 768 M CB 2.198 34.414 32.600 -0.640 0.000 1.712 768 M HN 0.537 nan 8.290 nan 0.000 0.462 769 W N 3.180 124.233 121.300 -0.411 0.000 2.819 769 W HA 0.627 5.294 4.660 0.012 0.000 0.337 769 W C -1.413 174.895 176.519 -0.350 0.000 1.077 769 W CA -0.653 56.513 57.345 -0.298 0.000 1.226 769 W CB 1.670 30.997 29.460 -0.223 0.000 1.419 769 W HN 0.457 nan 8.180 nan 0.000 0.502 770 I N 2.715 123.262 120.570 -0.040 0.000 2.411 770 I HA 0.464 4.641 4.170 0.012 0.000 0.284 770 I C 0.753 176.848 176.117 -0.037 0.000 1.012 770 I CA 0.242 61.480 61.300 -0.103 0.000 1.119 770 I CB 1.126 39.042 38.000 -0.140 0.000 1.261 770 I HN 0.720 nan 8.210 nan 0.000 0.448 771 G N 5.401 114.178 108.800 -0.039 0.000 2.514 771 G HA2 -0.251 3.716 3.960 0.012 0.000 0.265 771 G HA3 -0.251 3.716 3.960 0.012 0.000 0.265 771 G C 0.249 175.157 174.900 0.013 0.000 1.150 771 G CA 0.335 45.420 45.100 -0.026 0.000 0.959 771 G HN 0.577 nan 8.290 nan 0.000 0.556 772 D N 1.072 121.489 120.400 0.030 0.000 2.369 772 D HA 0.214 4.861 4.640 0.012 0.000 0.211 772 D C 0.813 177.234 176.300 0.202 0.000 1.077 772 D CA 0.334 54.379 54.000 0.075 0.000 0.842 772 D CB 0.631 41.437 40.800 0.009 0.000 0.947 772 D HN 0.219 nan 8.370 nan 0.000 0.509 773 K N 1.376 121.855 120.400 0.133 0.000 2.227 773 K HA 0.219 4.546 4.320 0.012 0.000 0.280 773 K C 0.024 176.593 176.600 -0.052 0.000 1.041 773 K CA -0.345 55.978 56.287 0.061 0.000 0.905 773 K CB 1.397 33.889 32.500 -0.014 0.000 1.068 773 K HN -0.228 nan 8.250 nan 0.000 0.470 774 K N 2.351 122.637 120.400 -0.190 0.000 2.401 774 K HA -0.014 4.314 4.320 0.012 0.000 0.278 774 K C 0.734 177.121 176.600 -0.354 0.000 1.018 774 K CA 0.030 55.991 56.287 -0.542 0.000 0.981 774 K CB 0.679 32.931 32.500 -0.413 0.000 0.933 774 K HN 0.450 nan 8.250 nan 0.000 0.477 775 Q N 1.485 121.038 119.800 -0.412 0.000 2.392 775 Q HA 0.183 4.530 4.340 0.012 0.000 0.219 775 Q C 0.131 176.049 176.000 -0.137 0.000 0.895 775 Q CA 0.553 56.252 55.803 -0.172 0.000 0.929 775 Q CB 0.514 29.190 28.738 -0.103 0.000 1.077 775 Q HN 0.507 nan 8.270 nan 0.000 0.532 776 L N 0.574 121.648 121.223 -0.248 0.000 2.342 776 L HA 0.387 4.734 4.340 0.012 0.000 0.271 776 L C 0.926 177.664 176.870 -0.220 0.000 1.008 776 L CA -0.379 54.337 54.840 -0.206 0.000 0.818 776 L CB 1.687 43.606 42.059 -0.234 0.000 1.296 776 L HN -0.052 nan 8.230 nan 0.000 0.427 777 L N 0.389 121.477 121.223 -0.226 0.000 2.537 777 L HA 0.170 4.517 4.340 0.012 0.000 0.224 777 L C 0.635 177.386 176.870 -0.198 0.000 1.065 777 L CA 0.428 55.142 54.840 -0.211 0.000 0.860 777 L CB 0.613 42.530 42.059 -0.237 0.000 1.086 777 L HN 0.746 nan 8.230 nan 0.000 0.482 778 T N -2.894 111.515 114.554 -0.241 0.000 2.909 778 T HA 0.558 4.915 4.350 0.012 0.000 0.299 778 T C -2.879 171.742 174.700 -0.132 0.000 1.073 778 T CA -2.042 59.961 62.100 -0.161 0.000 0.999 778 T CB 2.390 71.180 68.868 -0.129 0.000 1.098 778 T HN -0.308 nan 8.240 nan 0.000 0.477 779 P HA 0.279 nan 4.420 nan 0.000 0.272 779 P C -0.599 176.647 177.300 -0.090 0.000 1.240 779 P CA -0.773 62.282 63.100 -0.074 0.000 0.791 779 P CB 0.294 31.980 31.700 -0.022 0.000 0.978 780 L N 2.785 123.984 121.223 -0.040 0.000 2.315 780 L HA 0.277 4.624 4.340 0.012 0.000 0.283 780 L C 0.144 176.933 176.870 -0.135 0.000 1.089 780 L CA 0.651 55.499 54.840 0.013 0.000 0.833 780 L CB -0.703 41.468 42.059 0.186 0.000 1.170 780 L HN 0.314 nan 8.230 nan 0.000 0.442 781 R N 2.507 122.853 120.500 -0.257 0.000 2.836 781 R HA 0.477 4.825 4.340 0.012 0.000 0.269 781 R C -1.097 175.068 176.300 -0.226 0.000 1.010 781 R CA -1.040 54.730 56.100 -0.549 0.000 0.930 781 R CB 1.121 30.972 30.300 -0.748 0.000 1.218 781 R HN 0.517 nan 8.270 nan 0.000 0.473 782 D N 1.039 121.375 120.400 -0.107 0.000 2.382 782 D HA 0.095 4.743 4.640 0.012 0.000 0.240 782 D C -0.514 175.448 176.300 -0.564 0.000 1.146 782 D CA 0.215 54.017 54.000 -0.330 0.000 0.897 782 D CB 0.656 41.209 40.800 -0.412 0.000 1.197 782 D HN 0.227 nan 8.370 nan 0.000 0.432 783 Q N 0.904 120.158 119.800 -0.910 0.000 2.271 783 Q HA 0.343 4.690 4.340 0.012 0.000 0.268 783 Q C -1.393 173.876 176.000 -1.219 0.000 1.021 783 Q CA -0.586 54.726 55.803 -0.817 0.000 0.802 783 Q CB 0.808 29.279 28.738 -0.444 0.000 1.282 783 Q HN 0.554 nan 8.270 nan 0.000 0.431 784 F N 0.930 120.492 119.950 -0.647 0.000 2.729 784 F HA 0.226 4.760 4.527 0.012 0.000 0.315 784 F C 0.448 175.811 175.800 -0.730 0.000 1.102 784 F CA -0.172 57.331 58.000 -0.829 0.000 1.204 784 F CB 1.603 39.752 39.000 -1.419 0.000 1.052 784 F HN 0.472 nan 8.300 nan 0.000 0.551 785 T N -0.954 113.295 114.554 -0.508 0.000 2.901 785 T HA 0.756 5.113 4.350 0.012 0.000 0.293 785 T C -0.667 173.789 174.700 -0.407 0.000 1.084 785 T CA -1.014 60.724 62.100 -0.605 0.000 1.008 785 T CB 2.824 71.260 68.868 -0.720 0.000 1.170 785 T HN 0.246 nan 8.240 nan 0.000 0.509 786 R N 0.127 120.415 120.500 -0.354 0.000 2.795 786 R HA 0.794 5.141 4.340 0.012 0.000 0.275 786 R C -0.731 175.626 176.300 0.096 0.000 0.981 786 R CA -1.226 54.810 56.100 -0.106 0.000 0.917 786 R CB 1.609 31.861 30.300 -0.080 0.000 1.202 786 R HN 0.823 nan 8.270 nan 0.000 0.469 787 A N 3.589 126.457 122.820 0.080 0.000 2.484 787 A HA 0.285 4.612 4.320 0.012 0.000 0.268 787 A C -1.974 175.700 177.584 0.150 0.000 1.114 787 A CA -1.410 50.682 52.037 0.093 0.000 0.780 787 A CB -0.431 18.568 19.000 -0.002 0.000 1.061 787 A HN 0.588 nan 8.150 nan 0.000 0.505 788 P HA 0.062 nan 4.420 nan 0.000 0.264 788 P C -0.234 177.211 177.300 0.242 0.000 1.183 788 P CA 0.451 63.741 63.100 0.317 0.000 0.763 788 P CB 0.382 32.289 31.700 0.345 0.000 0.807 789 L N 2.513 123.844 121.223 0.180 0.000 2.475 789 L HA 0.150 4.497 4.340 0.012 0.000 0.253 789 L C 1.890 178.805 176.870 0.076 0.000 1.198 789 L CA -0.476 54.412 54.840 0.080 0.000 0.814 789 L CB -0.080 41.955 42.059 -0.040 0.000 1.134 789 L HN 0.302 nan 8.230 nan 0.000 0.478 790 D N 0.384 120.773 120.400 -0.019 0.000 2.133 790 D HA -0.167 4.480 4.640 0.012 0.000 0.195 790 D C 1.615 177.899 176.300 -0.027 0.000 0.997 790 D CA 1.433 55.369 54.000 -0.107 0.000 0.840 790 D CB -0.002 40.704 40.800 -0.158 0.000 0.947 790 D HN 0.477 nan 8.370 nan 0.000 0.452 791 N N 0.998 119.690 118.700 -0.014 0.000 2.309 791 N HA -0.110 4.637 4.740 0.012 0.000 0.182 791 N C 1.159 176.700 175.510 0.051 0.000 1.018 791 N CA 0.695 53.752 53.050 0.013 0.000 0.876 791 N CB -0.179 38.302 38.487 -0.009 0.000 0.972 791 N HN 0.240 nan 8.380 nan 0.000 0.434 792 D N 0.451 120.897 120.400 0.077 0.000 2.224 792 D HA 0.046 4.693 4.640 0.012 0.000 0.205 792 D C 1.989 178.334 176.300 0.075 0.000 0.965 792 D CA 0.316 54.386 54.000 0.116 0.000 0.852 792 D CB 0.098 41.042 40.800 0.241 0.000 0.947 792 D HN 0.306 nan 8.370 nan 0.000 0.494 793 I N 0.028 120.633 120.570 0.058 0.000 2.333 793 I HA -0.013 4.164 4.170 0.012 0.000 0.246 793 I C 1.443 177.552 176.117 -0.013 0.000 1.106 793 I CA 0.794 62.106 61.300 0.019 0.000 1.411 793 I CB -0.116 37.878 38.000 -0.010 0.000 1.082 793 I HN 0.059 nan 8.210 nan 0.000 0.420 794 G N 1.942 110.742 108.800 0.001 0.000 2.225 794 G HA2 -0.186 3.782 3.960 0.012 0.000 0.264 794 G HA3 -0.186 3.782 3.960 0.012 0.000 0.264 794 G C 0.086 174.983 174.900 -0.005 0.000 1.060 794 G CA 0.276 45.383 45.100 0.011 0.000 0.833 794 G HN 0.355 nan 8.290 nan 0.000 0.498 795 V N -2.404 117.491 119.914 -0.031 0.000 2.715 795 V HA 0.923 5.050 4.120 0.012 0.000 0.310 795 V C 0.850 176.770 176.094 -0.290 0.000 1.054 795 V CA 0.242 62.469 62.300 -0.122 0.000 0.928 795 V CB 1.773 33.510 31.823 -0.143 0.000 1.007 795 V HN 1.028 nan 8.190 nan 0.000 0.437 796 S N 0.735 116.070 115.700 -0.607 0.000 2.578 796 S HA 0.371 4.848 4.470 0.012 0.000 0.228 796 S C 0.171 174.071 174.600 -1.165 0.000 1.022 796 S CA -0.234 57.039 58.200 -1.545 0.000 0.967 796 S CB -0.167 61.921 63.200 -1.854 0.000 0.914 796 S HN 0.870 nan 8.310 nan 0.000 0.515 797 E N 0.952 120.775 120.200 -0.629 0.000 2.343 797 E HA 0.543 4.900 4.350 0.012 0.000 0.260 797 E C 0.316 176.755 176.600 -0.268 0.000 0.908 797 E CA -0.295 55.846 56.400 -0.431 0.000 0.814 797 E CB 1.632 31.096 29.700 -0.394 0.000 1.302 797 E HN 0.212 nan 8.360 nan 0.000 0.408 798 A N 2.470 125.172 122.820 -0.197 0.000 2.054 798 A HA -0.265 4.063 4.320 0.012 0.000 0.223 798 A C 1.952 179.476 177.584 -0.100 0.000 1.169 798 A CA 2.519 54.490 52.037 -0.110 0.000 0.655 798 A CB -0.725 18.248 19.000 -0.044 0.000 0.812 798 A HN 0.606 nan 8.150 nan 0.000 0.462 799 T N -0.270 114.208 114.554 -0.128 0.000 2.770 799 T HA -0.015 4.342 4.350 0.012 0.000 0.263 799 T C 1.057 175.694 174.700 -0.105 0.000 1.039 799 T CA 1.036 63.072 62.100 -0.106 0.000 1.142 799 T CB -0.152 68.645 68.868 -0.119 0.000 0.868 799 T HN 0.596 nan 8.240 nan 0.000 0.435 800 R N 0.829 121.247 120.500 -0.137 0.000 2.490 800 R HA 0.594 4.941 4.340 0.012 0.000 0.278 800 R C -0.990 175.245 176.300 -0.108 0.000 1.069 800 R CA -0.367 55.658 56.100 -0.125 0.000 1.080 800 R CB 0.408 30.618 30.300 -0.151 0.000 1.030 800 R HN 0.182 nan 8.270 nan 0.000 0.491 801 I N 0.380 120.898 120.570 -0.087 0.000 2.608 801 I HA 0.226 4.403 4.170 0.012 0.000 0.295 801 I C -0.855 175.217 176.117 -0.075 0.000 1.049 801 I CA -0.598 60.659 61.300 -0.073 0.000 1.063 801 I CB 2.097 40.063 38.000 -0.055 0.000 1.248 801 I HN 0.473 nan 8.210 nan 0.000 0.424 802 D N 6.040 126.394 120.400 -0.077 0.000 2.593 802 D HA 0.449 5.096 4.640 0.012 0.000 0.251 802 D C -2.234 174.006 176.300 -0.100 0.000 1.140 802 D CA -2.254 51.694 54.000 -0.086 0.000 0.855 802 D CB 2.693 43.442 40.800 -0.084 0.000 1.267 802 D HN 0.081 nan 8.370 nan 0.000 0.532 803 P HA 0.008 nan 4.420 nan 0.000 0.233 803 P C 0.803 178.002 177.300 -0.169 0.000 1.167 803 P CA 0.497 63.529 63.100 -0.113 0.000 0.770 803 P CB 0.348 31.993 31.700 -0.092 0.000 0.837 804 N N -0.502 118.087 118.700 -0.186 0.000 2.412 804 N HA 0.067 4.814 4.740 0.012 0.000 0.184 804 N C 0.518 175.808 175.510 -0.366 0.000 1.101 804 N CA -0.074 52.816 53.050 -0.266 0.000 0.881 804 N CB 0.208 38.567 38.487 -0.212 0.000 0.969 804 N HN 0.028 nan 8.380 nan 0.000 0.459 805 A N -0.053 122.600 122.820 -0.278 0.000 2.366 805 A HA 0.069 4.396 4.320 0.012 0.000 0.249 805 A C 0.735 178.070 177.584 -0.416 0.000 1.084 805 A CA -0.393 51.468 52.037 -0.293 0.000 0.794 805 A CB -0.009 18.900 19.000 -0.151 0.000 1.034 805 A HN 0.343 nan 8.150 nan 0.000 0.491 806 W N 1.194 122.230 121.300 -0.440 0.000 2.302 806 W HA -0.205 4.462 4.660 0.012 0.000 0.320 806 W C 2.264 178.164 176.519 -1.031 0.000 1.241 806 W CA 1.890 58.692 57.345 -0.905 0.000 1.264 806 W CB -0.533 28.250 29.460 -1.128 0.000 1.154 806 W HN 0.529 nan 8.180 nan 0.000 0.483 807 V N 0.793 120.555 119.914 -0.252 0.000 2.332 807 V HA -0.281 3.846 4.120 0.012 0.000 0.248 807 V C 2.228 178.383 176.094 0.101 0.000 1.055 807 V CA 2.211 64.587 62.300 0.128 0.000 1.038 807 V CB -0.415 31.534 31.823 0.209 0.000 0.651 807 V HN 0.087 nan 8.190 nan 0.000 0.450 808 E N -0.177 119.997 120.200 -0.044 0.000 2.106 808 E HA -0.173 4.185 4.350 0.012 0.000 0.192 808 E C 2.353 178.918 176.600 -0.058 0.000 0.984 808 E CA 1.098 57.477 56.400 -0.034 0.000 0.806 808 E CB -0.302 29.348 29.700 -0.082 0.000 0.750 808 E HN 0.608 nan 8.360 nan 0.000 0.458 809 R N -0.347 120.039 120.500 -0.190 0.000 2.066 809 R HA -0.111 4.236 4.340 0.012 0.000 0.232 809 R C 2.304 178.543 176.300 -0.101 0.000 1.131 809 R CA 1.297 57.264 56.100 -0.222 0.000 0.955 809 R CB -0.177 29.862 30.300 -0.435 0.000 0.851 809 R HN 0.240 nan 8.270 nan 0.000 0.432 810 W N 1.418 122.677 121.300 -0.069 0.000 2.358 810 W HA -0.070 4.597 4.660 0.012 0.000 0.303 810 W C 1.946 178.420 176.519 -0.075 0.000 1.208 810 W CA 0.687 57.873 57.345 -0.265 0.000 1.274 810 W CB -0.681 28.761 29.460 -0.031 0.000 1.138 810 W HN 0.098 nan 8.180 nan 0.000 0.515 811 K N 0.134 120.765 120.400 0.385 0.000 2.032 811 K HA -0.127 4.200 4.320 0.012 0.000 0.209 811 K C 2.242 178.908 176.600 0.111 0.000 1.048 811 K CA 1.965 58.431 56.287 0.298 0.000 0.927 811 K CB -0.556 32.056 32.500 0.187 0.000 0.712 811 K HN -0.004 nan 8.250 nan 0.000 0.441 812 A N 0.831 123.682 122.820 0.052 0.000 2.014 812 A HA -0.001 4.326 4.320 0.012 0.000 0.218 812 A C 2.134 179.707 177.584 -0.018 0.000 1.163 812 A CA 1.524 53.569 52.037 0.013 0.000 0.652 812 A CB -0.387 18.612 19.000 -0.002 0.000 0.808 812 A HN 0.326 nan 8.150 nan 0.000 0.449 813 A N -1.849 120.944 122.820 -0.044 0.000 2.208 813 A HA 0.407 4.734 4.320 0.012 0.000 0.209 813 A C 1.778 179.281 177.584 -0.136 0.000 1.161 813 A CA 1.226 53.245 52.037 -0.029 0.000 0.782 813 A CB -0.739 18.247 19.000 -0.022 0.000 0.816 813 A HN 1.796 nan 8.150 nan 0.000 0.477 814 G N -1.615 107.014 108.800 -0.286 0.000 2.157 814 G HA2 -0.293 3.674 3.960 0.012 0.000 0.239 814 G HA3 -0.293 3.674 3.960 0.012 0.000 0.239 814 G C 0.609 175.515 174.900 0.011 0.000 0.982 814 G CA 0.627 45.368 45.100 -0.598 0.000 0.650 814 G HN 0.733 nan 8.290 nan 0.000 0.527 815 H N -1.352 117.710 119.070 -0.015 0.000 2.387 815 H HA -0.083 4.480 4.556 0.012 0.000 0.299 815 H C 2.170 177.483 175.328 -0.024 0.000 1.099 815 H CA 1.542 57.598 56.048 0.012 0.000 1.315 815 H CB 0.058 29.747 29.762 -0.122 0.000 1.380 815 H HN 0.583 nan 8.280 nan 0.000 0.513 816 Y N 1.075 121.503 120.300 0.214 0.000 2.561 816 Y HA -0.092 4.466 4.550 0.012 0.000 0.291 816 Y C 2.100 178.093 175.900 0.155 0.000 1.141 816 Y CA 0.447 58.636 58.100 0.149 0.000 1.303 816 Y CB 0.410 38.939 38.460 0.114 0.000 1.015 816 Y HN 0.349 nan 8.280 nan 0.000 0.547 817 Q N -0.185 119.790 119.800 0.291 0.000 2.159 817 Q HA 0.370 4.717 4.340 0.012 0.000 0.217 817 Q C 0.324 176.517 176.000 0.321 0.000 0.818 817 Q CA -0.057 55.912 55.803 0.278 0.000 1.008 817 Q CB 0.040 28.925 28.738 0.246 0.000 1.148 817 Q HN 0.184 nan 8.270 nan 0.000 0.491 818 A N 1.454 124.490 122.820 0.360 0.000 2.498 818 A HA 0.181 4.508 4.320 0.012 0.000 0.239 818 A C -0.213 177.651 177.584 0.468 0.000 1.068 818 A CA 0.162 52.467 52.037 0.446 0.000 0.766 818 A CB 0.272 19.590 19.000 0.529 0.000 1.003 818 A HN 0.332 nan 8.150 nan 0.000 0.497 819 E N 0.713 121.107 120.200 0.324 0.000 2.187 819 E HA 0.474 4.831 4.350 0.012 0.000 0.268 819 E C -0.334 176.198 176.600 -0.113 0.000 0.896 819 E CA -0.647 55.852 56.400 0.166 0.000 0.766 819 E CB 1.929 31.706 29.700 0.130 0.000 1.142 819 E HN 0.816 nan 8.360 nan 0.000 0.408 820 A N 2.401 125.048 122.820 -0.287 0.000 2.492 820 A HA 0.445 4.772 4.320 0.012 0.000 0.254 820 A C -0.112 177.307 177.584 -0.274 0.000 1.091 820 A CA 0.007 51.627 52.037 -0.695 0.000 0.768 820 A CB 0.223 18.951 19.000 -0.454 0.000 1.028 820 A HN 0.558 nan 8.150 nan 0.000 0.498 821 A N 2.864 125.519 122.820 -0.276 0.000 2.288 821 A HA 0.584 4.911 4.320 0.012 0.000 0.320 821 A C -0.371 177.136 177.584 -0.128 0.000 1.217 821 A CA -0.579 51.385 52.037 -0.123 0.000 0.840 821 A CB 0.529 19.480 19.000 -0.080 0.000 1.179 821 A HN 1.276 nan 8.150 nan 0.000 0.504 822 L N 3.196 124.333 121.223 -0.143 0.000 2.360 822 L HA 0.348 4.695 4.340 0.012 0.000 0.276 822 L C 0.374 177.112 176.870 -0.221 0.000 1.121 822 L CA 0.322 54.977 54.840 -0.308 0.000 0.845 822 L CB 0.321 42.205 42.059 -0.292 0.000 1.143 822 L HN 0.756 nan 8.230 nan 0.000 0.452 823 L N 3.563 124.638 121.223 -0.246 0.000 2.575 823 L HA 0.343 4.690 4.340 0.012 0.000 0.228 823 L C 0.416 177.219 176.870 -0.111 0.000 1.075 823 L CA 0.010 54.775 54.840 -0.125 0.000 0.867 823 L CB 0.007 42.028 42.059 -0.064 0.000 1.097 823 L HN 0.744 nan 8.230 nan 0.000 0.485 824 Q N -0.271 119.435 119.800 -0.157 0.000 2.545 824 Q HA 0.322 4.669 4.340 0.012 0.000 0.273 824 Q C -2.142 173.805 176.000 -0.087 0.000 0.975 824 Q CA -0.555 55.197 55.803 -0.086 0.000 0.876 824 Q CB 2.942 31.657 28.738 -0.038 0.000 1.472 824 Q HN 0.040 nan 8.270 nan 0.000 0.389 825 C N 3.005 122.298 119.300 -0.011 0.000 2.727 825 C HA 0.787 5.254 4.460 0.012 0.000 0.369 825 C C -1.019 174.088 174.990 0.194 0.000 1.067 825 C CA 0.514 59.573 59.018 0.069 0.000 1.273 825 C CB 0.657 28.423 27.740 0.043 0.000 1.778 825 C HN 0.826 nan 8.230 nan 0.000 0.467 826 T N 2.536 117.162 114.554 0.121 0.000 2.906 826 T HA 0.891 5.249 4.350 0.012 0.000 0.295 826 T C -0.523 173.982 174.700 -0.325 0.000 1.075 826 T CA -0.312 61.802 62.100 0.022 0.000 1.005 826 T CB 1.898 70.748 68.868 -0.030 0.000 1.136 826 T HN 1.648 nan 8.240 nan 0.000 0.498 827 A N 1.680 124.074 122.820 -0.710 0.000 2.355 827 A HA 0.771 5.098 4.320 0.012 0.000 0.317 827 A C -1.054 176.246 177.584 -0.474 0.000 1.094 827 A CA -0.718 50.759 52.037 -0.933 0.000 0.764 827 A CB 1.073 18.941 19.000 -1.887 0.000 1.230 827 A HN 0.890 nan 8.150 nan 0.000 0.448 828 D N 0.919 121.115 120.400 -0.338 0.000 2.857 828 D HA 0.368 5.015 4.640 0.012 0.000 0.227 828 D C -1.134 175.055 176.300 -0.184 0.000 1.192 828 D CA -0.105 53.769 54.000 -0.210 0.000 0.857 828 D CB 2.325 43.037 40.800 -0.147 0.000 1.645 828 D HN 0.365 nan 8.370 nan 0.000 0.482 829 T N 2.019 116.487 114.554 -0.143 0.000 2.744 829 T HA 0.451 4.808 4.350 0.012 0.000 0.291 829 T C 0.445 175.086 174.700 -0.098 0.000 0.957 829 T CA -0.328 61.699 62.100 -0.122 0.000 1.002 829 T CB 0.431 69.232 68.868 -0.112 0.000 0.919 829 T HN 0.110 nan 8.240 nan 0.000 0.468 830 L N 2.074 123.241 121.223 -0.093 0.000 2.492 830 L HA 0.606 4.954 4.340 0.012 0.000 0.263 830 L C 1.959 178.790 176.870 -0.065 0.000 1.062 830 L CA -1.116 53.681 54.840 -0.073 0.000 0.817 830 L CB 0.286 42.304 42.059 -0.068 0.000 1.441 830 L HN 0.645 nan 8.230 nan 0.000 0.493 831 A N 0.453 123.242 122.820 -0.052 0.000 1.877 831 A HA -0.153 4.174 4.320 0.012 0.000 0.216 831 A C 1.085 178.643 177.584 -0.044 0.000 1.186 831 A CA 1.993 54.003 52.037 -0.045 0.000 0.620 831 A CB -0.443 18.536 19.000 -0.035 0.000 0.822 831 A HN 0.901 nan 8.150 nan 0.000 0.443 832 D N -2.516 117.859 120.400 -0.042 0.000 2.582 832 D HA 0.561 5.208 4.640 0.012 0.000 0.246 832 D C 0.011 176.286 176.300 -0.041 0.000 1.334 832 D CA 0.662 54.640 54.000 -0.036 0.000 0.805 832 D CB -0.185 40.596 40.800 -0.032 0.000 1.087 832 D HN 0.490 nan 8.370 nan 0.000 0.499 833 A N -0.596 122.190 122.820 -0.058 0.000 2.564 833 A HA 0.654 4.981 4.320 0.012 0.000 0.291 833 A C -1.730 175.795 177.584 -0.099 0.000 1.102 833 A CA -0.696 51.295 52.037 -0.077 0.000 0.660 833 A CB 1.485 20.440 19.000 -0.076 0.000 1.283 833 A HN -0.003 nan 8.150 nan 0.000 0.430 834 V N 0.474 120.312 119.914 -0.128 0.000 2.628 834 V HA 0.674 4.801 4.120 0.012 0.000 0.306 834 V C -0.988 174.999 176.094 -0.179 0.000 1.045 834 V CA -0.476 61.732 62.300 -0.154 0.000 0.905 834 V CB 1.487 33.217 31.823 -0.156 0.000 0.997 834 V HN 0.913 nan 8.190 nan 0.000 0.436 835 L N 5.966 127.074 121.223 -0.193 0.000 2.362 835 L HA 0.676 5.023 4.340 0.012 0.000 0.275 835 L C -0.959 175.755 176.870 -0.261 0.000 0.998 835 L CA -0.022 54.710 54.840 -0.181 0.000 0.820 835 L CB 1.491 43.475 42.059 -0.125 0.000 1.270 835 L HN 0.422 nan 8.230 nan 0.000 0.415 836 I N 3.865 124.269 120.570 -0.275 0.000 2.404 836 I HA 0.441 4.618 4.170 0.012 0.000 0.293 836 I C -0.199 175.864 176.117 -0.090 0.000 0.992 836 I CA -0.291 60.794 61.300 -0.358 0.000 1.149 836 I CB 1.675 39.176 38.000 -0.832 0.000 1.315 836 I HN 0.578 nan 8.210 nan 0.000 0.446 837 T N 4.537 119.052 114.554 -0.066 0.000 2.807 837 T HA 0.635 4.992 4.350 0.012 0.000 0.279 837 T C 0.124 174.871 174.700 0.077 0.000 0.993 837 T CA -0.522 61.600 62.100 0.037 0.000 0.970 837 T CB 1.825 70.690 68.868 -0.005 0.000 0.950 837 T HN 0.797 nan 8.240 nan 0.000 0.441 838 T N -0.482 114.165 114.554 0.154 0.000 2.896 838 T HA 0.875 5.232 4.350 0.012 0.000 0.297 838 T C -1.172 173.597 174.700 0.116 0.000 1.108 838 T CA -1.041 61.130 62.100 0.117 0.000 1.004 838 T CB 2.007 71.012 68.868 0.229 0.000 1.159 838 T HN 0.775 nan 8.240 nan 0.000 0.499 839 A N 1.452 124.268 122.820 -0.007 0.000 2.455 839 A HA 0.794 5.121 4.320 0.012 0.000 0.300 839 A C -1.432 176.086 177.584 -0.110 0.000 1.040 839 A CA -0.759 51.311 52.037 0.056 0.000 0.697 839 A CB 0.970 19.997 19.000 0.045 0.000 1.265 839 A HN 1.015 nan 8.150 nan 0.000 0.407 840 H N -0.147 118.990 119.070 0.112 0.000 2.895 840 H HA 0.759 5.322 4.556 0.012 0.000 0.373 840 H C -0.144 175.204 175.328 0.033 0.000 1.174 840 H CA 0.284 56.303 56.048 -0.049 0.000 1.144 840 H CB 2.164 31.796 29.762 -0.218 0.000 1.793 840 H HN 1.001 nan 8.280 nan 0.000 0.551 841 A N 1.877 124.703 122.820 0.010 0.000 2.342 841 A HA 0.437 4.764 4.320 0.012 0.000 0.323 841 A C -1.318 176.233 177.584 -0.054 0.000 1.125 841 A CA -0.694 51.411 52.037 0.113 0.000 0.785 841 A CB 1.088 20.132 19.000 0.074 0.000 1.221 841 A HN 0.577 nan 8.150 nan 0.000 0.463 842 W N 2.024 123.428 121.300 0.173 0.000 2.376 842 W HA 0.439 5.106 4.660 0.012 0.000 0.312 842 W C -0.387 176.162 176.519 0.050 0.000 1.060 842 W CA -0.117 57.328 57.345 0.166 0.000 1.221 842 W CB 1.639 31.259 29.460 0.266 0.000 1.281 842 W HN 0.774 nan 8.180 nan 0.000 0.456 843 Q N 1.412 121.340 119.800 0.214 0.000 2.458 843 Q HA 0.409 4.756 4.340 0.012 0.000 0.282 843 Q C -0.909 175.220 176.000 0.214 0.000 1.106 843 Q CA -0.877 55.015 55.803 0.148 0.000 0.814 843 Q CB 3.537 32.319 28.738 0.072 0.000 1.425 843 Q HN 0.366 nan 8.270 nan 0.000 0.437 844 H N 1.746 120.853 119.070 0.063 0.000 3.108 844 H HA 0.094 4.657 4.556 0.012 0.000 0.329 844 H C -0.849 174.512 175.328 0.055 0.000 0.978 844 H CA -0.091 56.003 56.048 0.076 0.000 1.413 844 H CB 0.944 30.762 29.762 0.093 0.000 1.670 844 H HN 0.780 nan 8.280 nan 0.000 0.512 845 Q N 3.220 122.693 119.800 -0.546 0.000 2.439 845 Q HA -0.231 4.116 4.340 0.012 0.000 0.325 845 Q C 0.913 176.842 176.000 -0.119 0.000 1.372 845 Q CA 1.111 56.709 55.803 -0.341 0.000 0.909 845 Q CB -1.445 27.042 28.738 -0.419 0.000 1.167 845 Q HN 1.195 nan 8.270 nan 0.000 0.418 846 G N -0.404 108.353 108.800 -0.071 0.000 2.225 846 G HA2 -0.357 3.610 3.960 0.012 0.000 0.254 846 G HA3 -0.357 3.610 3.960 0.012 0.000 0.254 846 G C 0.069 174.970 174.900 0.002 0.000 0.988 846 G CA 0.684 45.770 45.100 -0.024 0.000 0.625 846 G HN 0.361 nan 8.290 nan 0.000 0.527 847 K N 1.478 121.890 120.400 0.020 0.000 2.185 847 K HA 0.652 4.979 4.320 0.012 0.000 0.269 847 K C -0.055 176.561 176.600 0.027 0.000 0.987 847 K CA -0.160 56.146 56.287 0.032 0.000 0.865 847 K CB 1.014 33.547 32.500 0.055 0.000 1.090 847 K HN -0.006 nan 8.250 nan 0.000 0.450 848 T N 6.066 120.625 114.554 0.009 0.000 2.729 848 T HA 0.229 4.586 4.350 0.012 0.000 0.296 848 T C 1.057 175.703 174.700 -0.091 0.000 0.928 848 T CA -0.367 61.734 62.100 0.003 0.000 1.045 848 T CB 0.346 69.231 68.868 0.030 0.000 0.902 848 T HN 0.541 nan 8.240 nan 0.000 0.500 849 L N 2.574 123.656 121.223 -0.236 0.000 2.168 849 L HA 0.335 4.682 4.340 0.012 0.000 0.203 849 L C -0.101 176.268 176.870 -0.835 0.000 1.078 849 L CA 0.844 55.272 54.840 -0.687 0.000 0.780 849 L CB 0.046 41.334 42.059 -1.285 0.000 0.939 849 L HN 0.523 nan 8.230 nan 0.000 0.451 850 F N -1.230 118.669 119.950 -0.084 0.000 2.613 850 F HA 0.585 5.119 4.527 0.012 0.000 0.310 850 F C -0.497 175.385 175.800 0.137 0.000 1.085 850 F CA -0.851 57.039 58.000 -0.184 0.000 0.945 850 F CB 1.922 40.389 39.000 -0.889 0.000 1.298 850 F HN -0.351 nan 8.300 nan 0.000 0.455 851 I N 1.397 122.180 120.570 0.355 0.000 2.533 851 I HA 0.378 4.555 4.170 0.012 0.000 0.290 851 I C -0.901 175.486 176.117 0.451 0.000 1.056 851 I CA -0.584 60.962 61.300 0.410 0.000 1.057 851 I CB 2.272 40.425 38.000 0.256 0.000 1.240 851 I HN 0.558 nan 8.210 nan 0.000 0.423 852 S N 6.652 122.729 115.700 0.629 0.000 2.498 852 S HA 0.581 5.059 4.470 0.012 0.000 0.317 852 S C -0.685 174.172 174.600 0.428 0.000 1.090 852 S CA -0.647 57.889 58.200 0.561 0.000 1.089 852 S CB 0.728 64.376 63.200 0.747 0.000 0.997 852 S HN 0.556 nan 8.310 nan 0.000 0.470 853 R N 3.321 123.993 120.500 0.288 0.000 2.445 853 R HA 0.606 4.954 4.340 0.012 0.000 0.308 853 R C -0.712 175.683 176.300 0.158 0.000 0.961 853 R CA -0.775 55.452 56.100 0.211 0.000 0.862 853 R CB 1.806 32.198 30.300 0.153 0.000 1.144 853 R HN 0.577 nan 8.270 nan 0.000 0.447 854 K N 0.565 121.053 120.400 0.148 0.000 2.509 854 K HA 0.479 4.806 4.320 0.012 0.000 0.266 854 K C -0.993 175.623 176.600 0.027 0.000 0.987 854 K CA -0.979 55.326 56.287 0.030 0.000 0.868 854 K CB 2.483 34.973 32.500 -0.016 0.000 1.421 854 K HN 0.640 nan 8.250 nan 0.000 0.444 855 T N -1.391 113.104 114.554 -0.098 0.000 2.916 855 T HA 0.556 4.913 4.350 0.012 0.000 0.298 855 T C -1.333 173.277 174.700 -0.151 0.000 1.031 855 T CA -0.770 61.312 62.100 -0.031 0.000 0.993 855 T CB 0.466 69.326 68.868 -0.013 0.000 1.045 855 T HN 0.389 nan 8.240 nan 0.000 0.454 856 Y N 1.052 121.332 120.300 -0.034 0.000 2.331 856 Y HA 0.620 5.177 4.550 0.012 0.000 0.334 856 Y C 0.470 176.305 175.900 -0.108 0.000 0.960 856 Y CA -1.257 56.836 58.100 -0.011 0.000 1.130 856 Y CB 1.821 40.319 38.460 0.064 0.000 1.164 856 Y HN 0.691 nan 8.280 nan 0.000 0.458 857 R N 4.713 125.242 120.500 0.048 0.000 2.310 857 R HA 0.590 4.938 4.340 0.012 0.000 0.316 857 R C -1.595 174.652 176.300 -0.089 0.000 1.004 857 R CA -0.355 55.723 56.100 -0.037 0.000 0.900 857 R CB 0.266 30.551 30.300 -0.024 0.000 1.152 857 R HN 0.785 nan 8.270 nan 0.000 0.513 858 I N 5.035 125.488 120.570 -0.195 0.000 2.315 858 I HA 0.180 4.357 4.170 0.012 0.000 0.291 858 I C -0.064 175.928 176.117 -0.208 0.000 1.006 858 I CA -0.603 60.498 61.300 -0.332 0.000 1.265 858 I CB 1.251 38.829 38.000 -0.702 0.000 1.387 858 I HN 0.660 nan 8.210 nan 0.000 0.475 859 D N 4.175 124.499 120.400 -0.128 0.000 2.569 859 D HA 0.271 4.918 4.640 0.012 0.000 0.266 859 D C 1.167 177.458 176.300 -0.015 0.000 1.164 859 D CA -0.811 53.154 54.000 -0.058 0.000 1.071 859 D CB 0.888 41.675 40.800 -0.023 0.000 1.183 859 D HN 0.456 nan 8.370 nan 0.000 0.613 860 G N -1.498 107.307 108.800 0.008 0.000 2.776 860 G HA2 -0.071 3.896 3.960 0.012 0.000 0.209 860 G HA3 -0.071 3.896 3.960 0.012 0.000 0.209 860 G C 0.983 175.928 174.900 0.074 0.000 1.145 860 G CA 0.774 45.902 45.100 0.046 0.000 0.791 860 G HN 0.512 nan 8.290 nan 0.000 0.530 861 S N -1.347 114.392 115.700 0.066 0.000 2.556 861 S HA 0.383 4.860 4.470 0.012 0.000 0.216 861 S C 1.792 176.469 174.600 0.129 0.000 0.970 861 S CA 0.902 59.156 58.200 0.091 0.000 0.912 861 S CB 0.150 63.395 63.200 0.074 0.000 0.790 861 S HN 1.336 nan 8.310 nan 0.000 0.504 862 G N 0.663 109.556 108.800 0.154 0.000 2.176 862 G HA2 -0.230 3.737 3.960 0.012 0.000 0.253 862 G HA3 -0.230 3.737 3.960 0.012 0.000 0.253 862 G C -0.191 174.881 174.900 0.287 0.000 0.979 862 G CA 0.067 45.334 45.100 0.278 0.000 0.641 862 G HN 0.606 nan 8.290 nan 0.000 0.530 863 Q N -0.368 119.528 119.800 0.159 0.000 2.259 863 Q HA 0.632 4.979 4.340 0.012 0.000 0.249 863 Q C 0.182 176.233 176.000 0.086 0.000 0.914 863 Q CA -0.186 55.712 55.803 0.158 0.000 0.904 863 Q CB 1.501 30.312 28.738 0.121 0.000 1.213 863 Q HN 0.438 nan 8.270 nan 0.000 0.428 864 M N 2.081 121.781 119.600 0.167 0.000 2.043 864 M HA 0.476 4.963 4.480 0.012 0.000 0.322 864 M C -1.396 175.020 176.300 0.193 0.000 0.962 864 M CA -0.503 54.864 55.300 0.113 0.000 0.927 864 M CB 0.986 33.692 32.600 0.177 0.000 1.466 864 M HN 0.689 nan 8.290 nan 0.000 0.412 865 A N 6.985 129.875 122.820 0.116 0.000 2.269 865 A HA 0.604 4.931 4.320 0.012 0.000 0.302 865 A C -0.620 177.005 177.584 0.069 0.000 1.266 865 A CA -0.529 51.573 52.037 0.109 0.000 0.894 865 A CB -0.047 18.994 19.000 0.068 0.000 1.147 865 A HN 0.915 nan 8.150 nan 0.000 0.537 866 I N 2.976 123.579 120.570 0.054 0.000 2.330 866 I HA 0.252 4.430 4.170 0.012 0.000 0.289 866 I C -0.134 175.885 176.117 -0.165 0.000 1.001 866 I CA -0.134 61.094 61.300 -0.120 0.000 1.193 866 I CB 1.722 39.679 38.000 -0.071 0.000 1.345 866 I HN 0.486 nan 8.210 nan 0.000 0.461 867 T N 6.001 120.431 114.554 -0.205 0.000 2.771 867 T HA 0.527 4.884 4.350 0.012 0.000 0.281 867 T C -0.168 174.362 174.700 -0.284 0.000 0.982 867 T CA -0.438 61.550 62.100 -0.187 0.000 0.978 867 T CB 1.842 70.692 68.868 -0.029 0.000 0.930 867 T HN 0.197 nan 8.240 nan 0.000 0.447 868 V N 3.600 123.216 119.914 -0.495 0.000 2.656 868 V HA 0.486 4.614 4.120 0.012 0.000 0.307 868 V C -0.762 175.179 176.094 -0.254 0.000 1.051 868 V CA -0.906 61.135 62.300 -0.430 0.000 0.893 868 V CB 2.178 33.466 31.823 -0.891 0.000 0.999 868 V HN 0.860 nan 8.190 nan 0.000 0.426 869 D N 3.195 123.607 120.400 0.021 0.000 2.549 869 D HA 0.505 5.152 4.640 0.012 0.000 0.251 869 D C -1.072 175.356 176.300 0.214 0.000 1.153 869 D CA -0.088 54.018 54.000 0.176 0.000 0.861 869 D CB 2.683 43.611 40.800 0.212 0.000 1.207 869 D HN 0.240 nan 8.370 nan 0.000 0.543 870 V N 2.149 122.225 119.914 0.270 0.000 2.628 870 V HA 0.323 4.450 4.120 0.012 0.000 0.306 870 V C 0.134 176.379 176.094 0.252 0.000 1.045 870 V CA -0.724 61.753 62.300 0.295 0.000 0.905 870 V CB 2.567 34.614 31.823 0.374 0.000 0.997 870 V HN 0.360 nan 8.190 nan 0.000 0.436 871 E N 2.140 122.474 120.200 0.224 0.000 2.183 871 E HA 0.636 4.993 4.350 0.012 0.000 0.271 871 E C -1.573 175.148 176.600 0.201 0.000 0.919 871 E CA -0.594 55.915 56.400 0.182 0.000 0.781 871 E CB 2.558 32.348 29.700 0.149 0.000 1.140 871 E HN 0.414 nan 8.360 nan 0.000 0.402 872 V N 2.072 122.106 119.914 0.200 0.000 2.444 872 V HA 0.345 4.472 4.120 0.012 0.000 0.294 872 V C 0.072 176.253 176.094 0.145 0.000 1.022 872 V CA -0.981 61.459 62.300 0.232 0.000 0.850 872 V CB 1.425 33.432 31.823 0.307 0.000 0.992 872 V HN 0.836 nan 8.190 nan 0.000 0.426 873 A N 3.517 126.372 122.820 0.058 0.000 2.567 873 A HA 0.244 4.572 4.320 0.012 0.000 0.240 873 A C 1.647 179.297 177.584 0.110 0.000 1.053 873 A CA 0.695 52.761 52.037 0.049 0.000 0.755 873 A CB 0.231 19.221 19.000 -0.015 0.000 0.978 873 A HN 1.394 nan 8.150 nan 0.000 0.507 874 S N 1.259 117.024 115.700 0.108 0.000 2.447 874 S HA -0.149 4.328 4.470 0.012 0.000 0.233 874 S C 0.918 175.602 174.600 0.140 0.000 1.006 874 S CA 1.287 59.573 58.200 0.143 0.000 0.957 874 S CB -0.266 62.997 63.200 0.105 0.000 0.773 874 S HN 0.826 nan 8.310 nan 0.000 0.507 875 D N 0.327 120.782 120.400 0.091 0.000 2.339 875 D HA 0.136 4.784 4.640 0.012 0.000 0.217 875 D C 0.591 176.929 176.300 0.065 0.000 1.050 875 D CA 0.056 54.094 54.000 0.064 0.000 0.856 875 D CB -0.417 40.407 40.800 0.040 0.000 0.922 875 D HN 0.317 nan 8.370 nan 0.000 0.518 876 T N 1.036 115.651 114.554 0.102 0.000 2.934 876 T HA 0.418 4.775 4.350 0.012 0.000 0.283 876 T C -2.622 172.186 174.700 0.181 0.000 1.005 876 T CA -1.982 60.199 62.100 0.135 0.000 1.041 876 T CB 1.165 70.122 68.868 0.148 0.000 1.042 876 T HN -0.177 nan 8.240 nan 0.000 0.505 877 P HA 0.118 nan 4.420 nan 0.000 0.265 877 P C -0.612 177.006 177.300 0.531 0.000 1.193 877 P CA 0.074 63.284 63.100 0.182 0.000 0.765 877 P CB -0.126 31.671 31.700 0.162 0.000 0.823 878 H N 3.714 123.161 119.070 0.627 0.000 3.094 878 H HA 0.037 4.600 4.556 0.012 0.000 0.320 878 H C -1.627 174.059 175.328 0.597 0.000 1.000 878 H CA -1.148 55.208 56.048 0.512 0.000 1.413 878 H CB -0.440 29.558 29.762 0.392 0.000 1.405 878 H HN 0.389 nan 8.280 nan 0.000 0.586 879 P HA 0.059 nan 4.420 nan 0.000 0.279 879 P C 0.133 177.359 177.300 -0.123 0.000 1.252 879 P CA -0.407 62.800 63.100 0.179 0.000 0.811 879 P CB 1.186 32.845 31.700 -0.067 0.000 1.035 880 A N 2.672 125.159 122.820 -0.555 0.000 1.933 880 A HA -0.111 4.216 4.320 0.012 0.000 0.218 880 A C 0.981 178.196 177.584 -0.616 0.000 1.175 880 A CA 1.448 53.113 52.037 -0.621 0.000 0.628 880 A CB -0.581 17.844 19.000 -0.957 0.000 0.814 880 A HN 0.745 nan 8.150 nan 0.000 0.444 881 R N -2.790 117.379 120.500 -0.552 0.000 2.712 881 R HA 0.723 5.070 4.340 0.012 0.000 0.272 881 R C -1.606 174.442 176.300 -0.421 0.000 1.032 881 R CA -0.773 55.014 56.100 -0.522 0.000 0.874 881 R CB 0.867 30.832 30.300 -0.559 0.000 1.256 881 R HN -0.002 nan 8.270 nan 0.000 0.468 882 I N 1.391 121.747 120.570 -0.356 0.000 2.466 882 I HA 0.660 4.837 4.170 0.012 0.000 0.279 882 I C -0.383 175.486 176.117 -0.414 0.000 1.033 882 I CA -0.387 60.716 61.300 -0.329 0.000 1.123 882 I CB 1.746 39.639 38.000 -0.179 0.000 1.237 882 I HN 0.973 nan 8.210 nan 0.000 0.460 883 G N 6.095 114.578 108.800 -0.527 0.000 2.634 883 G HA2 0.710 4.677 3.960 0.012 0.000 0.309 883 G HA3 0.710 4.677 3.960 0.012 0.000 0.309 883 G C -1.703 173.013 174.900 -0.307 0.000 1.299 883 G CA -0.558 44.285 45.100 -0.428 0.000 0.798 883 G HN 0.275 nan 8.290 nan 0.000 0.490 884 L N 0.769 121.871 121.223 -0.201 0.000 2.333 884 L HA 0.655 5.002 4.340 0.012 0.000 0.263 884 L C -0.729 176.041 176.870 -0.167 0.000 1.014 884 L CA -1.143 53.615 54.840 -0.137 0.000 0.820 884 L CB 2.475 44.531 42.059 -0.005 0.000 1.352 884 L HN 0.811 nan 8.230 nan 0.000 0.421 885 N N 0.617 119.248 118.700 -0.114 0.000 2.610 885 N HA 0.686 5.434 4.740 0.012 0.000 0.264 885 N C -1.309 174.207 175.510 0.010 0.000 1.348 885 N CA -0.468 52.548 53.050 -0.056 0.000 0.819 885 N CB 2.467 40.937 38.487 -0.028 0.000 1.521 885 N HN 0.857 nan 8.380 nan 0.000 0.497 886 C N -1.188 118.139 119.300 0.046 0.000 3.292 886 C HA 0.535 5.002 4.460 0.012 0.000 0.338 886 C C -1.297 173.513 174.990 -0.299 0.000 1.323 886 C CA -0.838 58.147 59.018 -0.054 0.000 1.232 886 C CB 0.902 28.641 27.740 -0.001 0.000 1.517 886 C HN 0.847 nan 8.230 nan 0.000 0.470 887 Q N 1.493 120.908 119.800 -0.642 0.000 2.372 887 Q HA 0.651 4.998 4.340 0.012 0.000 0.259 887 Q C -0.888 174.830 176.000 -0.469 0.000 0.993 887 Q CA -0.424 54.775 55.803 -1.006 0.000 0.854 887 Q CB 0.861 28.692 28.738 -1.511 0.000 1.231 887 Q HN 0.757 nan 8.270 nan 0.000 0.462 888 L N 2.252 123.300 121.223 -0.293 0.000 2.417 888 L HA 0.250 4.598 4.340 0.012 0.000 0.268 888 L C 1.154 177.964 176.870 -0.100 0.000 1.158 888 L CA -0.156 54.632 54.840 -0.086 0.000 0.819 888 L CB 0.760 42.875 42.059 0.094 0.000 1.112 888 L HN 0.788 nan 8.230 nan 0.000 0.458 889 A N 1.794 124.580 122.820 -0.056 0.000 2.016 889 A HA -0.070 4.257 4.320 0.012 0.000 0.217 889 A C 1.036 178.605 177.584 -0.026 0.000 1.162 889 A CA 0.439 52.432 52.037 -0.072 0.000 0.662 889 A CB -0.228 18.720 19.000 -0.088 0.000 0.812 889 A HN 0.797 nan 8.150 nan 0.000 0.450 890 Q N -0.078 119.740 119.800 0.030 0.000 2.340 890 Q HA 0.452 4.799 4.340 0.012 0.000 0.249 890 Q C -1.267 174.764 176.000 0.052 0.000 0.957 890 Q CA -0.004 55.808 55.803 0.015 0.000 0.882 890 Q CB 1.077 29.818 28.738 0.004 0.000 1.235 890 Q HN 0.084 nan 8.270 nan 0.000 0.439 891 V N 3.640 123.549 119.914 -0.008 0.000 2.349 891 V HA 0.684 4.811 4.120 0.012 0.000 0.284 891 V C -0.538 175.523 176.094 -0.054 0.000 1.014 891 V CA -0.368 61.961 62.300 0.048 0.000 0.826 891 V CB 0.859 32.700 31.823 0.030 0.000 1.009 891 V HN 0.911 nan 8.190 nan 0.000 0.431 892 A N 3.276 126.002 122.820 -0.156 0.000 2.294 892 A HA 0.671 4.998 4.320 0.012 0.000 0.330 892 A C 0.806 178.408 177.584 0.029 0.000 1.133 892 A CA -0.424 51.462 52.037 -0.251 0.000 0.836 892 A CB 0.959 19.521 19.000 -0.730 0.000 1.190 892 A HN 0.813 nan 8.150 nan 0.000 0.492 893 E N 0.066 120.273 120.200 0.012 0.000 2.112 893 E HA -0.045 4.312 4.350 0.012 0.000 0.190 893 E C 0.178 176.852 176.600 0.123 0.000 0.979 893 E CA 0.749 57.187 56.400 0.063 0.000 0.814 893 E CB 0.156 29.874 29.700 0.030 0.000 0.762 893 E HN 0.494 nan 8.360 nan 0.000 0.460 894 R N 0.123 120.709 120.500 0.144 0.000 2.888 894 R HA 0.511 4.859 4.340 0.012 0.000 0.266 894 R C -0.806 175.687 176.300 0.322 0.000 1.020 894 R CA -0.827 55.391 56.100 0.198 0.000 0.963 894 R CB 1.737 32.123 30.300 0.144 0.000 1.197 894 R HN -0.181 nan 8.270 nan 0.000 0.481 895 V N 1.849 121.957 119.914 0.322 0.000 2.444 895 V HA 0.352 4.479 4.120 0.012 0.000 0.294 895 V C -0.226 176.131 176.094 0.439 0.000 1.022 895 V CA -0.911 61.614 62.300 0.375 0.000 0.850 895 V CB 1.677 33.669 31.823 0.282 0.000 0.992 895 V HN 0.650 nan 8.190 nan 0.000 0.426 896 N N 4.783 123.711 118.700 0.381 0.000 2.399 896 N HA 0.490 5.237 4.740 0.012 0.000 0.280 896 N C -1.311 174.423 175.510 0.373 0.000 1.008 896 N CA -0.442 52.798 53.050 0.317 0.000 0.894 896 N CB 2.463 41.040 38.487 0.150 0.000 1.273 896 N HN 0.817 nan 8.380 nan 0.000 0.486 897 W N 3.410 124.746 121.300 0.059 0.000 3.083 897 W HA 0.607 5.274 4.660 0.012 0.000 0.333 897 W C -1.915 174.561 176.519 -0.072 0.000 1.217 897 W CA -1.159 56.190 57.345 0.007 0.000 1.170 897 W CB 0.751 30.250 29.460 0.065 0.000 1.437 897 W HN 0.214 nan 8.180 nan 0.000 0.557 898 L N 4.209 125.385 121.223 -0.079 0.000 2.301 898 L HA 0.896 5.243 4.340 0.012 0.000 0.278 898 L C -0.027 176.592 176.870 -0.419 0.000 1.022 898 L CA 0.277 54.883 54.840 -0.390 0.000 0.854 898 L CB 0.506 42.441 42.059 -0.206 0.000 1.226 898 L HN 0.976 nan 8.230 nan 0.000 0.429 899 G N 3.577 111.980 108.800 -0.661 0.000 2.335 899 G HA2 0.205 4.173 3.960 0.012 0.000 0.291 899 G HA3 0.205 4.173 3.960 0.012 0.000 0.291 899 G C -1.562 173.280 174.900 -0.096 0.000 1.261 899 G CA -1.070 43.812 45.100 -0.363 0.000 0.871 899 G HN 0.405 nan 8.290 nan 0.000 0.491 900 L N 1.088 122.426 121.223 0.191 0.000 2.455 900 L HA 0.553 4.900 4.340 0.012 0.000 0.272 900 L C 1.111 178.109 176.870 0.213 0.000 1.174 900 L CA 0.979 55.939 54.840 0.200 0.000 0.869 900 L CB 0.426 42.556 42.059 0.119 0.000 1.130 900 L HN 1.179 nan 8.230 nan 0.000 0.474 901 G N 3.085 111.807 108.800 -0.128 0.000 2.341 901 G HA2 0.252 4.219 3.960 0.012 0.000 0.299 901 G HA3 0.252 4.219 3.960 0.012 0.000 0.299 901 G C -2.777 171.293 174.900 -1.383 0.000 1.274 901 G CA -0.290 44.376 45.100 -0.724 0.000 0.853 901 G HN 0.306 nan 8.290 nan 0.000 0.493 902 P HA 0.093 nan 4.420 nan 0.000 0.234 902 P C 0.492 177.600 177.300 -0.319 0.000 1.175 902 P CA 0.558 62.989 63.100 -1.115 0.000 0.801 902 P CB 0.478 31.633 31.700 -0.909 0.000 0.891 903 Q N 0.582 120.190 119.800 -0.321 0.000 2.396 903 Q HA 0.133 4.480 4.340 0.012 0.000 0.221 903 Q C 0.469 176.355 176.000 -0.189 0.000 1.025 903 Q CA -0.505 55.182 55.803 -0.193 0.000 0.946 903 Q CB 0.614 29.262 28.738 -0.152 0.000 1.224 903 Q HN 0.142 nan 8.270 nan 0.000 0.539 904 E N 1.235 121.329 120.200 -0.177 0.000 2.502 904 E HA -0.092 4.265 4.350 0.012 0.000 0.261 904 E C -1.164 175.361 176.600 -0.126 0.000 0.974 904 E CA 0.253 56.537 56.400 -0.193 0.000 0.936 904 E CB 0.273 29.917 29.700 -0.094 0.000 0.926 904 E HN 0.615 nan 8.360 nan 0.000 0.459 905 N N 2.569 121.134 118.700 -0.224 0.000 2.367 905 N HA 0.307 5.055 4.740 0.012 0.000 0.278 905 N C -1.853 173.497 175.510 -0.267 0.000 1.117 905 N CA -0.694 52.287 53.050 -0.115 0.000 0.867 905 N CB 0.705 39.128 38.487 -0.107 0.000 1.649 905 N HN 0.241 nan 8.380 nan 0.000 0.479 906 Y N 0.204 120.418 120.300 -0.143 0.000 2.630 906 Y HA 0.508 5.065 4.550 0.012 0.000 0.337 906 Y C -1.606 174.223 175.900 -0.119 0.000 1.051 906 Y CA -2.072 55.931 58.100 -0.161 0.000 1.121 906 Y CB 1.758 40.121 38.460 -0.163 0.000 1.299 906 Y HN 0.443 nan 8.280 nan 0.000 0.498 907 P HA -0.194 nan 4.420 nan 0.000 0.216 907 P C 0.454 177.616 177.300 -0.230 0.000 1.154 907 P CA 2.232 65.361 63.100 0.047 0.000 0.865 907 P CB 0.202 32.039 31.700 0.229 0.000 0.789 908 D N -2.366 117.692 120.400 -0.571 0.000 2.339 908 D HA -0.015 4.633 4.640 0.012 0.000 0.217 908 D C 0.803 176.949 176.300 -0.257 0.000 1.050 908 D CA 0.192 53.643 54.000 -0.915 0.000 0.856 908 D CB -0.262 39.764 40.800 -1.290 0.000 0.922 908 D HN 0.132 nan 8.370 nan 0.000 0.518 909 R N 0.994 121.442 120.500 -0.087 0.000 2.655 909 R HA 0.209 4.557 4.340 0.012 0.000 0.261 909 R C -0.601 175.736 176.300 0.062 0.000 1.624 909 R CA -0.192 55.928 56.100 0.033 0.000 1.655 909 R CB 0.046 30.371 30.300 0.041 0.000 1.356 909 R HN 0.100 nan 8.270 nan 0.000 0.684 910 L N -1.577 119.691 121.223 0.075 0.000 3.298 910 L HA 0.355 4.702 4.340 0.012 0.000 0.296 910 L C 1.267 178.205 176.870 0.114 0.000 1.237 910 L CA 0.034 54.919 54.840 0.077 0.000 1.038 910 L CB 0.244 42.339 42.059 0.060 0.000 1.423 910 L HN 0.090 nan 8.230 nan 0.000 0.605 911 T N -2.836 111.812 114.554 0.156 0.000 2.867 911 T HA 0.026 4.383 4.350 0.012 0.000 0.268 911 T C 1.804 176.568 174.700 0.108 0.000 1.057 911 T CA 1.242 63.459 62.100 0.195 0.000 1.136 911 T CB -0.312 68.728 68.868 0.287 0.000 0.874 911 T HN 0.381 nan 8.240 nan 0.000 0.466 912 A N 1.766 124.654 122.820 0.114 0.000 2.014 912 A HA 0.622 4.949 4.320 0.012 0.000 0.218 912 A C 1.673 179.352 177.584 0.158 0.000 1.163 912 A CA 0.575 52.639 52.037 0.045 0.000 0.652 912 A CB -1.009 18.141 19.000 0.250 0.000 0.808 912 A HN 0.834 nan 8.150 nan 0.000 0.449 913 A N -1.153 121.709 122.820 0.071 0.000 2.425 913 A HA 0.431 4.758 4.320 0.012 0.000 0.242 913 A C 0.062 177.681 177.584 0.058 0.000 1.077 913 A CA 0.033 52.069 52.037 -0.001 0.000 0.781 913 A CB -0.152 18.839 19.000 -0.015 0.000 1.020 913 A HN 0.500 nan 8.150 nan 0.000 0.494 914 C N 0.370 119.697 119.300 0.045 0.000 2.561 914 C HA 0.556 5.023 4.460 0.012 0.000 0.319 914 C C -0.158 174.936 174.990 0.173 0.000 1.198 914 C CA -0.505 58.587 59.018 0.124 0.000 1.665 914 C CB 0.920 28.746 27.740 0.143 0.000 2.258 914 C HN 0.795 nan 8.230 nan 0.000 0.493 915 F N 3.600 123.359 119.950 -0.318 0.000 2.424 915 F HA 0.494 5.028 4.527 0.012 0.000 0.356 915 F C 0.305 175.717 175.800 -0.646 0.000 1.110 915 F CA 1.081 58.742 58.000 -0.566 0.000 1.161 915 F CB 0.016 38.125 39.000 -1.485 0.000 1.115 915 F HN 0.631 nan 8.300 nan 0.000 0.507 916 D N 3.546 123.347 120.400 -0.998 0.000 2.865 916 D HA 0.185 4.832 4.640 0.012 0.000 0.343 916 D C -1.614 173.821 176.300 -1.441 0.000 1.372 916 D CA -0.729 52.591 54.000 -1.134 0.000 0.862 916 D CB 1.570 41.566 40.800 -1.341 0.000 1.425 916 D HN 0.531 nan 8.370 nan 0.000 0.501 917 R N 0.742 120.511 120.500 -1.218 0.000 2.198 917 R HA 0.496 4.843 4.340 0.012 0.000 0.339 917 R C -1.306 174.314 176.300 -1.134 0.000 1.020 917 R CA -0.298 55.232 56.100 -0.950 0.000 0.864 917 R CB 0.243 30.224 30.300 -0.531 0.000 1.105 917 R HN 0.265 nan 8.270 nan 0.000 0.463 918 W N 2.642 123.440 121.300 -0.837 0.000 2.578 918 W HA 0.405 5.072 4.660 0.012 0.000 0.346 918 W C -0.362 175.796 176.519 -0.602 0.000 1.075 918 W CA -0.651 56.130 57.345 -0.940 0.000 1.233 918 W CB 1.639 29.994 29.460 -1.840 0.000 1.358 918 W HN 0.379 nan 8.180 nan 0.000 0.574 919 D N 2.839 123.203 120.400 -0.059 0.000 2.478 919 D HA 0.371 5.018 4.640 0.012 0.000 0.240 919 D C -1.443 174.949 176.300 0.153 0.000 1.364 919 D CA -0.114 53.934 54.000 0.080 0.000 0.987 919 D CB 0.936 41.746 40.800 0.016 0.000 1.328 919 D HN 0.320 nan 8.370 nan 0.000 0.584 920 L N 2.958 124.345 121.223 0.274 0.000 2.309 920 L HA 0.576 4.923 4.340 0.012 0.000 0.261 920 L C -2.283 174.702 176.870 0.192 0.000 1.021 920 L CA -2.151 52.824 54.840 0.225 0.000 0.823 920 L CB 2.598 44.844 42.059 0.312 0.000 1.366 920 L HN 0.170 nan 8.230 nan 0.000 0.423 921 P HA 0.045 nan 4.420 nan 0.000 0.274 921 P C 0.527 177.902 177.300 0.125 0.000 1.231 921 P CA -0.414 62.756 63.100 0.116 0.000 0.790 921 P CB 0.941 32.690 31.700 0.081 0.000 0.951 922 L N 3.320 124.620 121.223 0.129 0.000 2.013 922 L HA -0.255 4.092 4.340 0.012 0.000 0.212 922 L C 2.200 179.113 176.870 0.071 0.000 1.073 922 L CA 2.807 57.713 54.840 0.110 0.000 0.753 922 L CB -1.649 40.490 42.059 0.133 0.000 0.890 922 L HN 0.457 nan 8.230 nan 0.000 0.432 923 S N -1.950 113.795 115.700 0.074 0.000 2.442 923 S HA -0.147 4.330 4.470 0.012 0.000 0.236 923 S C 1.537 176.201 174.600 0.107 0.000 1.007 923 S CA 1.000 59.258 58.200 0.097 0.000 0.965 923 S CB -0.749 62.507 63.200 0.093 0.000 0.773 923 S HN 0.519 nan 8.310 nan 0.000 0.504 924 D N 1.214 121.657 120.400 0.071 0.000 2.371 924 D HA 0.096 4.743 4.640 0.012 0.000 0.221 924 D C 1.138 177.438 176.300 -0.000 0.000 0.986 924 D CA 0.607 54.628 54.000 0.036 0.000 0.899 924 D CB -0.120 40.709 40.800 0.047 0.000 0.902 924 D HN 0.390 nan 8.370 nan 0.000 0.530 925 M N -0.367 119.240 119.600 0.011 0.000 2.505 925 M HA 0.082 4.570 4.480 0.012 0.000 0.230 925 M C -0.146 176.140 176.300 -0.024 0.000 1.153 925 M CA -0.085 55.172 55.300 -0.073 0.000 0.997 925 M CB -0.731 31.813 32.600 -0.093 0.000 1.606 925 M HN -0.047 nan 8.290 nan 0.000 0.481 926 Y N -0.224 120.024 120.300 -0.085 0.000 2.425 926 Y HA 0.525 5.082 4.550 0.012 0.000 0.344 926 Y C -0.892 174.952 175.900 -0.093 0.000 0.969 926 Y CA -0.925 57.145 58.100 -0.050 0.000 1.052 926 Y CB 1.393 39.888 38.460 0.058 0.000 1.215 926 Y HN -0.108 nan 8.280 nan 0.000 0.451 927 T N 8.620 122.706 114.554 -0.780 0.000 2.756 927 T HA 0.297 4.655 4.350 0.012 0.000 0.290 927 T C -2.718 171.189 174.700 -1.322 0.000 0.985 927 T CA -1.544 59.995 62.100 -0.935 0.000 0.955 927 T CB 1.192 69.528 68.868 -0.887 0.000 0.930 927 T HN 0.466 nan 8.240 nan 0.000 0.451 928 P HA 0.118 nan 4.420 nan 0.000 0.226 928 P C -0.597 176.573 177.300 -0.216 0.000 1.783 928 P CA -0.414 62.285 63.100 -0.667 0.000 0.980 928 P CB -0.683 30.773 31.700 -0.407 0.000 1.967 929 Y N -0.120 120.116 120.300 -0.107 0.000 2.712 929 Y HA -0.110 4.448 4.550 0.012 0.000 0.333 929 Y C 2.302 178.272 175.900 0.116 0.000 1.225 929 Y CA -0.592 57.525 58.100 0.028 0.000 1.499 929 Y CB 0.674 39.087 38.460 -0.079 0.000 1.288 929 Y HN -0.078 nan 8.280 nan 0.000 0.575 930 V N 3.829 123.993 119.914 0.417 0.000 2.282 930 V HA -0.324 3.803 4.120 0.012 0.000 0.249 930 V C 0.542 176.829 176.094 0.322 0.000 1.057 930 V CA 1.586 64.102 62.300 0.359 0.000 1.032 930 V CB -0.530 31.539 31.823 0.410 0.000 0.645 930 V HN 0.593 nan 8.190 nan 0.000 0.447 931 F N 2.977 122.995 119.950 0.114 0.000 2.350 931 F HA 0.505 5.040 4.527 0.012 0.000 0.365 931 F C -2.439 173.378 175.800 0.029 0.000 1.122 931 F CA -3.160 54.851 58.000 0.018 0.000 1.139 931 F CB 0.752 39.659 39.000 -0.156 0.000 1.220 931 F HN 0.006 nan 8.300 nan 0.000 0.499 932 P HA 0.215 nan 4.420 nan 0.000 0.269 932 P C -1.006 176.049 177.300 -0.409 0.000 1.209 932 P CA 0.132 63.032 63.100 -0.333 0.000 0.776 932 P CB 1.202 32.703 31.700 -0.331 0.000 0.876 933 S N -0.039 115.604 115.700 -0.096 0.000 2.703 933 S HA 0.440 4.917 4.470 0.012 0.000 0.273 933 S C -0.837 173.785 174.600 0.038 0.000 1.178 933 S CA -0.979 57.203 58.200 -0.030 0.000 0.838 933 S CB 0.436 63.662 63.200 0.044 0.000 1.178 933 S HN 0.337 nan 8.310 nan 0.000 0.494 934 E N 1.175 121.404 120.200 0.050 0.000 2.502 934 E HA 0.349 4.706 4.350 0.012 0.000 0.261 934 E C -0.189 176.484 176.600 0.122 0.000 0.974 934 E CA 0.858 57.309 56.400 0.085 0.000 0.936 934 E CB -0.270 29.504 29.700 0.124 0.000 0.926 934 E HN 0.794 nan 8.360 nan 0.000 0.459 935 N N 1.500 120.301 118.700 0.169 0.000 3.046 935 N HA 0.495 5.242 4.740 0.012 0.000 0.243 935 N C 0.175 175.748 175.510 0.104 0.000 1.452 935 N CA -0.580 52.602 53.050 0.221 0.000 0.882 935 N CB 0.917 39.520 38.487 0.194 0.000 1.425 935 N HN 0.714 nan 8.380 nan 0.000 0.517 936 G N -1.294 107.521 108.800 0.025 0.000 2.179 936 G HA2 -0.265 3.703 3.960 0.012 0.000 0.260 936 G HA3 -0.265 3.703 3.960 0.012 0.000 0.260 936 G C -0.184 174.448 174.900 -0.446 0.000 0.977 936 G CA 0.348 45.334 45.100 -0.191 0.000 0.641 936 G HN 0.709 nan 8.290 nan 0.000 0.533 937 L N 0.116 121.006 121.223 -0.554 0.000 2.499 937 L HA 0.611 4.959 4.340 0.012 0.000 0.281 937 L C 0.687 176.973 176.870 -0.974 0.000 1.234 937 L CA 0.625 54.883 54.840 -0.971 0.000 0.839 937 L CB 0.489 41.565 42.059 -1.639 0.000 1.104 937 L HN 0.281 nan 8.230 nan 0.000 0.500 938 R N 2.447 122.297 120.500 -1.083 0.000 2.538 938 R HA 0.472 4.819 4.340 0.012 0.000 0.292 938 R C -1.036 174.906 176.300 -0.596 0.000 1.008 938 R CA -0.295 55.292 56.100 -0.855 0.000 0.896 938 R CB 1.399 30.987 30.300 -1.186 0.000 1.187 938 R HN 0.686 nan 8.270 nan 0.000 0.440 939 C N 0.417 119.519 119.300 -0.330 0.000 2.352 939 C HA 0.712 5.179 4.460 0.012 0.000 0.387 939 C C 1.410 176.381 174.990 -0.031 0.000 1.294 939 C CA 0.154 59.065 59.018 -0.179 0.000 2.137 939 C CB 1.251 28.916 27.740 -0.125 0.000 2.146 939 C HN 1.037 nan 8.230 nan 0.000 0.559 940 G N 1.626 110.425 108.800 -0.001 0.000 2.283 940 G HA2 -0.196 3.771 3.960 0.012 0.000 0.280 940 G HA3 -0.196 3.771 3.960 0.012 0.000 0.280 940 G C -0.013 174.938 174.900 0.085 0.000 1.029 940 G CA 0.608 45.763 45.100 0.091 0.000 0.840 940 G HN 0.803 nan 8.290 nan 0.000 0.505 941 T N 0.060 114.545 114.554 -0.116 0.000 2.817 941 T HA 0.498 4.856 4.350 0.012 0.000 0.293 941 T C 1.368 175.740 174.700 -0.546 0.000 0.964 941 T CA -0.458 61.493 62.100 -0.247 0.000 1.085 941 T CB 1.281 70.056 68.868 -0.154 0.000 0.921 941 T HN 0.228 nan 8.240 nan 0.000 0.502 942 R N 1.562 121.943 120.500 -0.199 0.000 2.279 942 R HA 0.296 4.643 4.340 0.012 0.000 0.195 942 R C 0.520 176.815 176.300 -0.008 0.000 0.905 942 R CA 0.186 56.238 56.100 -0.079 0.000 1.044 942 R CB 0.389 30.784 30.300 0.157 0.000 1.056 942 R HN 0.701 nan 8.270 nan 0.000 0.535 943 E N 0.553 120.761 120.200 0.014 0.000 2.335 943 E HA 0.319 4.677 4.350 0.012 0.000 0.280 943 E C -1.829 174.889 176.600 0.195 0.000 0.918 943 E CA -0.681 55.819 56.400 0.165 0.000 0.765 943 E CB 1.608 31.377 29.700 0.115 0.000 1.218 943 E HN -0.077 nan 8.360 nan 0.000 0.425 944 L N 4.314 125.724 121.223 0.311 0.000 2.381 944 L HA 0.583 4.930 4.340 0.012 0.000 0.274 944 L C -1.780 175.281 176.870 0.318 0.000 0.988 944 L CA -0.368 54.603 54.840 0.219 0.000 0.824 944 L CB 1.564 43.590 42.059 -0.056 0.000 1.263 944 L HN 0.445 nan 8.230 nan 0.000 0.410 945 N N 4.666 123.519 118.700 0.255 0.000 2.342 945 N HA 0.409 5.157 4.740 0.012 0.000 0.293 945 N C -1.929 173.799 175.510 0.364 0.000 1.026 945 N CA -0.287 52.905 53.050 0.237 0.000 0.857 945 N CB 2.148 40.724 38.487 0.148 0.000 1.256 945 N HN 0.593 nan 8.380 nan 0.000 0.484 946 Y N 1.044 121.467 120.300 0.204 0.000 2.323 946 Y HA 0.391 4.948 4.550 0.012 0.000 0.322 946 Y C 0.605 176.611 175.900 0.176 0.000 1.133 946 Y CA 0.096 58.327 58.100 0.218 0.000 1.093 946 Y CB 0.607 39.267 38.460 0.333 0.000 1.203 946 Y HN 0.855 nan 8.280 nan 0.000 0.427 947 G N 6.501 115.121 108.800 -0.301 0.000 2.583 947 G HA2 -0.295 3.672 3.960 0.012 0.000 0.292 947 G HA3 -0.295 3.672 3.960 0.012 0.000 0.292 947 G C -1.892 172.896 174.900 -0.186 0.000 1.203 947 G CA 0.163 45.083 45.100 -0.300 0.000 0.987 947 G HN 0.566 nan 8.290 nan 0.000 0.554 948 P HA 0.193 nan 4.420 nan 0.000 0.255 948 P C 0.257 177.318 177.300 -0.399 0.000 1.248 948 P CA 0.574 63.478 63.100 -0.326 0.000 0.807 948 P CB 0.045 31.502 31.700 -0.406 0.000 1.150 949 H N 0.258 119.243 119.070 -0.142 0.000 2.488 949 H HA 0.475 5.038 4.556 0.012 0.000 0.347 949 H C -0.138 174.864 175.328 -0.543 0.000 1.174 949 H CA -0.058 55.761 56.048 -0.381 0.000 1.307 949 H CB 1.627 30.888 29.762 -0.836 0.000 1.517 949 H HN 0.047 nan 8.280 nan 0.000 0.554 950 Q N 1.911 121.385 119.800 -0.543 0.000 2.305 950 Q HA 0.230 4.578 4.340 0.012 0.000 0.271 950 Q C -1.677 173.999 176.000 -0.540 0.000 1.046 950 Q CA -0.694 54.885 55.803 -0.374 0.000 0.798 950 Q CB 2.054 30.735 28.738 -0.094 0.000 1.286 950 Q HN 0.573 nan 8.270 nan 0.000 0.435 951 W N 4.130 125.374 121.300 -0.093 0.000 2.656 951 W HA 0.577 5.244 4.660 0.012 0.000 0.327 951 W C -0.287 176.317 176.519 0.142 0.000 1.041 951 W CA -0.776 56.493 57.345 -0.127 0.000 1.229 951 W CB 1.867 31.049 29.460 -0.463 0.000 1.397 951 W HN 0.500 nan 8.180 nan 0.000 0.479 952 R N 1.012 121.752 120.500 0.401 0.000 2.686 952 R HA 0.801 5.149 4.340 0.012 0.000 0.286 952 R C 0.199 176.772 176.300 0.455 0.000 0.969 952 R CA -0.557 55.791 56.100 0.413 0.000 0.898 952 R CB 2.413 32.862 30.300 0.248 0.000 1.183 952 R HN 0.746 nan 8.270 nan 0.000 0.456 953 G N 0.756 109.829 108.800 0.455 0.000 2.600 953 G HA2 0.023 3.990 3.960 0.012 0.000 0.103 953 G HA3 0.023 3.990 3.960 0.012 0.000 0.103 953 G C -1.725 173.316 174.900 0.236 0.000 1.090 953 G CA -0.257 45.073 45.100 0.383 0.000 1.090 953 G HN 0.493 nan 8.290 nan 0.000 0.500 954 D N -0.013 120.530 120.400 0.239 0.000 2.411 954 D HA 0.561 5.208 4.640 0.012 0.000 0.239 954 D C -0.739 175.580 176.300 0.031 0.000 1.307 954 D CA -0.481 53.538 54.000 0.032 0.000 0.930 954 D CB 0.115 40.968 40.800 0.087 0.000 1.395 954 D HN 0.534 nan 8.370 nan 0.000 0.536 955 F N -0.313 119.631 119.950 -0.010 0.000 2.824 955 F HA 0.737 5.271 4.527 0.012 0.000 0.330 955 F C -1.016 174.738 175.800 -0.077 0.000 1.175 955 F CA -1.023 56.905 58.000 -0.120 0.000 0.974 955 F CB 0.735 39.663 39.000 -0.120 0.000 1.430 955 F HN -0.166 nan 8.300 nan 0.000 0.507 956 Q N 1.510 121.405 119.800 0.157 0.000 2.345 956 Q HA 0.624 4.971 4.340 0.012 0.000 0.268 956 Q C -1.277 174.798 176.000 0.125 0.000 1.054 956 Q CA -0.504 55.302 55.803 0.005 0.000 0.835 956 Q CB 2.688 31.313 28.738 -0.188 0.000 1.339 956 Q HN 0.846 nan 8.270 nan 0.000 0.447 957 F N -1.024 118.810 119.950 -0.194 0.000 2.685 957 F HA 0.772 5.306 4.527 0.012 0.000 0.315 957 F C -1.373 174.206 175.800 -0.369 0.000 1.126 957 F CA -1.127 56.715 58.000 -0.262 0.000 0.950 957 F CB 1.598 40.477 39.000 -0.201 0.000 1.360 957 F HN 0.552 nan 8.300 nan 0.000 0.469 958 N N 1.242 119.773 118.700 -0.282 0.000 2.284 958 N HA 0.734 5.481 4.740 0.012 0.000 0.289 958 N C -2.060 173.375 175.510 -0.124 0.000 1.179 958 N CA -0.729 52.127 53.050 -0.322 0.000 0.774 958 N CB 2.591 40.893 38.487 -0.308 0.000 1.548 958 N HN 1.145 nan 8.380 nan 0.000 0.473 959 I N 0.394 120.883 120.570 -0.135 0.000 2.685 959 I HA 0.634 4.811 4.170 0.012 0.000 0.289 959 I C -1.493 174.538 176.117 -0.143 0.000 1.292 959 I CA 0.094 61.296 61.300 -0.163 0.000 1.050 959 I CB 1.293 39.132 38.000 -0.269 0.000 1.301 959 I HN 1.080 nan 8.210 nan 0.000 0.425 960 S N 6.274 121.907 115.700 -0.112 0.000 2.683 960 S HA 0.513 4.990 4.470 0.012 0.000 0.269 960 S C -0.325 174.182 174.600 -0.156 0.000 1.165 960 S CA -0.974 57.148 58.200 -0.130 0.000 0.840 960 S CB 1.619 64.789 63.200 -0.051 0.000 1.169 960 S HN 0.639 nan 8.310 nan 0.000 0.490 961 R N -0.131 120.116 120.500 -0.423 0.000 2.356 961 R HA 0.276 4.624 4.340 0.012 0.000 0.234 961 R C -0.911 175.129 176.300 -0.433 0.000 0.929 961 R CA 0.278 56.124 56.100 -0.423 0.000 1.084 961 R CB -0.794 29.138 30.300 -0.612 0.000 1.105 961 R HN 0.654 nan 8.270 nan 0.000 0.515 962 Y N 0.189 120.481 120.300 -0.014 0.000 2.361 962 Y HA 0.210 4.767 4.550 0.012 0.000 0.337 962 Y C 0.672 176.363 175.900 -0.348 0.000 0.965 962 Y CA -1.134 56.868 58.100 -0.162 0.000 1.091 962 Y CB 1.530 39.835 38.460 -0.259 0.000 1.182 962 Y HN -0.096 nan 8.280 nan 0.000 0.450 963 S N 1.560 116.922 115.700 -0.564 0.000 2.603 963 S HA 0.071 4.548 4.470 0.012 0.000 0.268 963 S C 0.855 175.125 174.600 -0.550 0.000 1.317 963 S CA -0.755 56.773 58.200 -1.121 0.000 1.012 963 S CB 1.204 63.517 63.200 -1.477 0.000 0.926 963 S HN 0.728 nan 8.310 nan 0.000 0.539 964 Q N 0.716 120.206 119.800 -0.517 0.000 2.124 964 Q HA -0.196 4.151 4.340 0.012 0.000 0.202 964 Q C 2.202 178.066 176.000 -0.226 0.000 0.977 964 Q CA 1.779 57.421 55.803 -0.268 0.000 0.850 964 Q CB -0.562 28.050 28.738 -0.209 0.000 0.901 964 Q HN 0.955 nan 8.270 nan 0.000 0.429 965 Q N 0.594 120.224 119.800 -0.284 0.000 2.096 965 Q HA -0.226 4.122 4.340 0.012 0.000 0.204 965 Q C 2.149 178.039 176.000 -0.184 0.000 0.982 965 Q CA 1.563 57.255 55.803 -0.186 0.000 0.850 965 Q CB 0.042 28.679 28.738 -0.170 0.000 0.901 965 Q HN 0.413 nan 8.270 nan 0.000 0.422 966 Q N 0.072 119.727 119.800 -0.241 0.000 2.020 966 Q HA -0.178 4.169 4.340 0.012 0.000 0.202 966 Q C 2.268 178.130 176.000 -0.229 0.000 0.982 966 Q CA 1.415 57.078 55.803 -0.232 0.000 0.838 966 Q CB -0.142 28.428 28.738 -0.279 0.000 0.899 966 Q HN 0.474 nan 8.270 nan 0.000 0.423 967 L N 0.079 121.170 121.223 -0.220 0.000 2.043 967 L HA -0.263 4.084 4.340 0.012 0.000 0.212 967 L C 2.712 179.453 176.870 -0.216 0.000 1.075 967 L CA 1.321 56.033 54.840 -0.213 0.000 0.752 967 L CB -0.365 41.610 42.059 -0.139 0.000 0.891 967 L HN 0.424 nan 8.230 nan 0.000 0.432 968 M N -0.854 118.649 119.600 -0.162 0.000 2.213 968 M HA -0.199 4.288 4.480 0.012 0.000 0.263 968 M C 1.613 177.833 176.300 -0.134 0.000 1.062 968 M CA 1.673 56.894 55.300 -0.132 0.000 1.105 968 M CB -0.048 32.488 32.600 -0.107 0.000 1.385 968 M HN 0.242 nan 8.290 nan 0.000 0.417 969 E N -1.255 118.862 120.200 -0.137 0.000 2.474 969 E HA 0.055 4.412 4.350 0.012 0.000 0.195 969 E C -0.158 176.375 176.600 -0.111 0.000 1.039 969 E CA 0.063 56.401 56.400 -0.103 0.000 0.881 969 E CB 0.457 30.108 29.700 -0.082 0.000 0.970 969 E HN 0.239 nan 8.360 nan 0.000 0.486 970 T N 0.146 114.597 114.554 -0.171 0.000 2.859 970 T HA 0.119 4.476 4.350 0.012 0.000 0.281 970 T C 1.080 175.669 174.700 -0.184 0.000 1.005 970 T CA -0.465 61.537 62.100 -0.164 0.000 1.025 970 T CB 1.694 70.425 68.868 -0.229 0.000 0.977 970 T HN 0.048 nan 8.240 nan 0.000 0.458 971 S N 1.516 117.198 115.700 -0.030 0.000 2.503 971 S HA 0.116 4.593 4.470 0.012 0.000 0.217 971 S C 0.229 174.869 174.600 0.066 0.000 0.999 971 S CA 0.204 58.453 58.200 0.082 0.000 0.914 971 S CB -0.162 63.238 63.200 0.333 0.000 0.782 971 S HN 0.733 nan 8.310 nan 0.000 0.520 972 H N 0.539 119.596 119.070 -0.022 0.000 2.806 972 H HA 0.498 5.061 4.556 0.012 0.000 0.367 972 H C 0.952 176.251 175.328 -0.049 0.000 1.136 972 H CA -0.778 55.321 56.048 0.084 0.000 1.178 972 H CB 1.463 31.292 29.762 0.112 0.000 1.718 972 H HN 0.078 nan 8.280 nan 0.000 0.540 973 R N 1.800 122.412 120.500 0.186 0.000 2.159 973 R HA -0.175 4.172 4.340 0.012 0.000 0.237 973 R C 1.102 177.415 176.300 0.022 0.000 1.131 973 R CA 1.917 58.061 56.100 0.072 0.000 0.982 973 R CB -0.444 29.938 30.300 0.137 0.000 0.868 973 R HN 0.795 nan 8.270 nan 0.000 0.453 974 H N 0.956 120.033 119.070 0.011 0.000 2.524 974 H HA 0.047 4.610 4.556 0.012 0.000 0.282 974 H C 1.563 176.803 175.328 -0.148 0.000 1.016 974 H CA 0.661 56.668 56.048 -0.069 0.000 1.270 974 H CB -0.213 29.509 29.762 -0.066 0.000 1.394 974 H HN 0.287 nan 8.280 nan 0.000 0.568 975 L N 0.930 121.688 121.223 -0.775 0.000 2.591 975 L HA 0.181 4.528 4.340 0.012 0.000 0.228 975 L C 0.722 177.406 176.870 -0.310 0.000 1.133 975 L CA -0.117 54.382 54.840 -0.570 0.000 0.880 975 L CB 0.035 41.773 42.059 -0.534 0.000 1.033 975 L HN 0.067 nan 8.230 nan 0.000 0.450 976 L N 0.361 121.394 121.223 -0.317 0.000 2.436 976 L HA 0.138 4.485 4.340 0.012 0.000 0.265 976 L C 0.250 177.038 176.870 -0.136 0.000 1.168 976 L CA -0.135 54.474 54.840 -0.385 0.000 0.815 976 L CB 0.432 42.012 42.059 -0.799 0.000 1.109 976 L HN 0.206 nan 8.230 nan 0.000 0.462 977 H N 1.128 120.200 119.070 0.004 0.000 2.689 977 H HA 0.599 5.163 4.556 0.012 0.000 0.346 977 H C -0.780 174.688 175.328 0.235 0.000 1.037 977 H CA -1.211 54.896 56.048 0.100 0.000 1.234 977 H CB 1.246 31.022 29.762 0.023 0.000 1.572 977 H HN 0.697 nan 8.280 nan 0.000 0.524 978 A N 3.772 126.772 122.820 0.299 0.000 2.531 978 A HA 0.081 4.408 4.320 0.012 0.000 0.236 978 A C 0.329 178.011 177.584 0.163 0.000 1.062 978 A CA -0.125 51.935 52.037 0.038 0.000 0.760 978 A CB 0.126 19.080 19.000 -0.076 0.000 0.995 978 A HN 0.876 nan 8.150 nan 0.000 0.501 979 E N 0.523 120.797 120.200 0.122 0.000 2.292 979 E HA 0.246 4.603 4.350 0.012 0.000 0.258 979 E C -0.110 176.541 176.600 0.085 0.000 1.115 979 E CA -0.727 55.798 56.400 0.208 0.000 0.929 979 E CB 0.785 30.691 29.700 0.344 0.000 1.161 979 E HN 0.790 nan 8.360 nan 0.000 0.453 980 E N 0.207 120.444 120.200 0.062 0.000 2.383 980 E HA 0.229 4.586 4.350 0.012 0.000 0.264 980 E C 0.317 176.878 176.600 -0.066 0.000 1.050 980 E CA 0.521 56.916 56.400 -0.008 0.000 0.896 980 E CB 0.459 30.148 29.700 -0.019 0.000 0.982 980 E HN 0.668 nan 8.360 nan 0.000 0.424 981 G N 2.593 111.354 108.800 -0.064 0.000 2.645 981 G HA2 -0.234 3.733 3.960 0.012 0.000 0.246 981 G HA3 -0.234 3.733 3.960 0.012 0.000 0.246 981 G C -0.634 174.211 174.900 -0.091 0.000 1.322 981 G CA -0.095 44.953 45.100 -0.087 0.000 0.898 981 G HN 0.620 nan 8.290 nan 0.000 0.573 982 T N 0.191 114.676 114.554 -0.115 0.000 2.841 982 T HA 0.507 4.864 4.350 0.012 0.000 0.285 982 T C -0.709 173.866 174.700 -0.207 0.000 0.991 982 T CA -0.153 61.894 62.100 -0.088 0.000 0.966 982 T CB 1.369 70.276 68.868 0.064 0.000 0.962 982 T HN 0.558 nan 8.240 nan 0.000 0.438 983 W N 3.212 124.429 121.300 -0.138 0.000 2.316 983 W HA 0.606 5.274 4.660 0.012 0.000 0.311 983 W C -0.244 176.151 176.519 -0.206 0.000 1.217 983 W CA -0.718 56.541 57.345 -0.143 0.000 1.199 983 W CB 0.789 30.175 29.460 -0.124 0.000 1.202 983 W HN 0.433 nan 8.180 nan 0.000 0.528 984 L N 5.281 126.517 121.223 0.022 0.000 2.356 984 L HA 0.544 4.891 4.340 0.012 0.000 0.277 984 L C -1.062 175.718 176.870 -0.149 0.000 0.996 984 L CA -0.436 54.295 54.840 -0.182 0.000 0.822 984 L CB 1.048 42.845 42.059 -0.437 0.000 1.256 984 L HN 0.301 nan 8.230 nan 0.000 0.413 985 N N 6.907 125.504 118.700 -0.172 0.000 2.443 985 N HA 0.490 5.238 4.740 0.012 0.000 0.269 985 N C -1.260 174.104 175.510 -0.243 0.000 0.985 985 N CA -0.206 52.738 53.050 -0.177 0.000 0.921 985 N CB 2.184 40.593 38.487 -0.129 0.000 1.195 985 N HN 0.576 nan 8.380 nan 0.000 0.492 986 I N 1.890 122.270 120.570 -0.317 0.000 2.411 986 I HA 0.248 4.425 4.170 0.012 0.000 0.284 986 I C -0.698 175.213 176.117 -0.343 0.000 1.012 986 I CA -0.609 60.457 61.300 -0.391 0.000 1.119 986 I CB 1.652 39.251 38.000 -0.670 0.000 1.261 986 I HN 0.146 nan 8.210 nan 0.000 0.448 987 D N 4.327 124.562 120.400 -0.275 0.000 2.185 987 D HA 0.307 4.954 4.640 0.012 0.000 0.247 987 D C 0.981 176.970 176.300 -0.519 0.000 1.027 987 D CA -0.247 53.526 54.000 -0.379 0.000 0.861 987 D CB 2.558 43.237 40.800 -0.202 0.000 1.202 987 D HN 0.683 nan 8.370 nan 0.000 0.453 988 G N 0.859 109.049 108.800 -1.017 0.000 2.430 988 G HA2 0.019 3.986 3.960 0.012 0.000 0.216 988 G HA3 0.019 3.986 3.960 0.012 0.000 0.216 988 G C 0.077 174.159 174.900 -1.363 0.000 1.146 988 G CA 0.505 44.895 45.100 -1.183 0.000 0.793 988 G HN 0.375 nan 8.290 nan 0.000 0.537 989 F N -2.106 117.657 119.950 -0.311 0.000 2.619 989 F HA 0.596 5.131 4.527 0.012 0.000 0.308 989 F C -0.592 175.103 175.800 -0.175 0.000 1.097 989 F CA -1.132 56.757 58.000 -0.185 0.000 0.953 989 F CB 2.207 41.008 39.000 -0.331 0.000 1.287 989 F HN 0.038 nan 8.300 nan 0.000 0.446 990 H N 1.865 120.938 119.070 0.005 0.000 2.954 990 H HA 0.509 5.072 4.556 0.012 0.000 0.361 990 H C -0.938 174.413 175.328 0.038 0.000 1.122 990 H CA -0.830 55.196 56.048 -0.037 0.000 1.217 990 H CB 1.836 31.559 29.762 -0.064 0.000 1.776 990 H HN 0.775 nan 8.280 nan 0.000 0.533 991 M N 3.300 122.830 119.600 -0.116 0.000 2.245 991 M HA 0.298 4.785 4.480 0.012 0.000 0.330 991 M C 0.542 176.954 176.300 0.187 0.000 1.098 991 M CA 0.382 55.698 55.300 0.026 0.000 1.172 991 M CB 0.370 32.889 32.600 -0.135 0.000 1.467 991 M HN 0.844 nan 8.290 nan 0.000 0.454 992 G N 2.588 111.477 108.800 0.149 0.000 2.664 992 G HA2 0.241 4.208 3.960 0.012 0.000 0.242 992 G HA3 0.241 4.208 3.960 0.012 0.000 0.242 992 G C 0.637 175.534 174.900 -0.006 0.000 1.225 992 G CA -0.325 44.801 45.100 0.042 0.000 0.849 992 G HN 0.979 nan 8.290 nan 0.000 0.581 993 I N -1.204 119.317 120.570 -0.080 0.000 3.427 993 I HA 0.393 4.570 4.170 0.012 0.000 0.288 993 I C 1.198 177.264 176.117 -0.085 0.000 1.249 993 I CA 0.543 61.762 61.300 -0.136 0.000 1.421 993 I CB -0.572 37.247 38.000 -0.302 0.000 1.086 993 I HN 0.949 nan 8.210 nan 0.000 0.448 994 G N 1.469 110.239 108.800 -0.050 0.000 2.645 994 G HA2 0.037 4.004 3.960 0.012 0.000 0.239 994 G HA3 0.037 4.004 3.960 0.012 0.000 0.239 994 G C 0.561 175.467 174.900 0.010 0.000 1.331 994 G CA 0.048 45.152 45.100 0.007 0.000 0.890 994 G HN 1.384 nan 8.290 nan 0.000 0.572 995 G N -2.305 106.512 108.800 0.028 0.000 2.370 995 G HA2 -0.018 3.949 3.960 0.012 0.000 0.174 995 G HA3 -0.018 3.949 3.960 0.012 0.000 0.174 995 G C 0.685 175.638 174.900 0.089 0.000 1.002 995 G CA 0.915 46.040 45.100 0.041 0.000 0.730 995 G HN 1.010 nan 8.290 nan 0.000 0.497 996 D N 1.237 121.708 120.400 0.119 0.000 2.158 996 D HA 0.077 4.724 4.640 0.012 0.000 0.197 996 D C 1.033 177.355 176.300 0.038 0.000 0.995 996 D CA 2.116 56.248 54.000 0.220 0.000 0.846 996 D CB 0.108 41.042 40.800 0.222 0.000 0.941 996 D HN 0.828 nan 8.370 nan 0.000 0.456 997 D N -3.418 116.802 120.400 -0.300 0.000 2.615 997 D HA 0.335 4.982 4.640 0.012 0.000 0.267 997 D C -0.708 175.123 176.300 -0.781 0.000 1.236 997 D CA -0.723 52.674 54.000 -1.005 0.000 0.839 997 D CB 1.017 40.587 40.800 -2.050 0.000 1.380 997 D HN -0.323 nan 8.370 nan 0.000 0.433 998 S N -0.499 114.654 115.700 -0.912 0.000 2.601 998 S HA 0.227 4.704 4.470 0.012 0.000 0.244 998 S C -0.579 174.070 174.600 0.082 0.000 1.001 998 S CA -0.665 57.458 58.200 -0.129 0.000 0.984 998 S CB -0.441 62.925 63.200 0.276 0.000 0.842 998 S HN 0.611 nan 8.310 nan 0.000 0.474 999 W N 1.134 122.353 121.300 -0.135 0.000 2.252 999 W HA 0.557 5.223 4.660 0.011 0.000 0.338 999 W C -0.045 176.402 176.519 -0.120 0.000 0.914 999 W CA -0.631 56.620 57.345 -0.157 0.000 1.754 999 W CB -0.561 28.750 29.460 -0.248 0.000 1.135 999 W HN 0.149 nan 8.180 nan 0.000 0.531 1000 S N -1.390 114.215 115.700 -0.159 0.000 2.588 1000 S HA 0.634 5.112 4.470 0.012 0.000 0.269 1000 S C -3.183 171.354 174.600 -0.105 0.000 1.157 1000 S CA -1.640 56.495 58.200 -0.109 0.000 0.824 1000 S CB 1.778 64.920 63.200 -0.098 0.000 1.126 1000 S HN -0.236 nan 8.310 nan 0.000 0.464 1001 P HA 0.236 nan 4.420 nan 0.000 0.267 1001 P C 0.339 177.672 177.300 0.054 0.000 1.205 1001 P CA -0.039 63.060 63.100 -0.001 0.000 0.765 1001 P CB 0.787 32.391 31.700 -0.159 0.000 0.828 1002 S N 0.554 116.332 115.700 0.131 0.000 2.847 1002 S HA 0.133 4.610 4.470 0.012 0.000 0.254 1002 S C 0.154 174.837 174.600 0.139 0.000 1.039 1002 S CA -0.287 57.962 58.200 0.082 0.000 1.113 1002 S CB -0.288 62.908 63.200 -0.007 0.000 1.092 1002 S HN 0.098 nan 8.310 nan 0.000 0.620 1003 V N 2.877 122.922 119.914 0.219 0.000 2.470 1003 V HA 0.376 4.503 4.120 0.012 0.000 0.276 1003 V C 0.842 177.086 176.094 0.250 0.000 1.040 1003 V CA -0.272 62.145 62.300 0.194 0.000 1.008 1003 V CB 0.951 32.844 31.823 0.116 0.000 0.990 1003 V HN 0.508 nan 8.190 nan 0.000 0.477 1004 S N 3.897 119.757 115.700 0.266 0.000 2.568 1004 S HA 0.274 4.751 4.470 0.012 0.000 0.282 1004 S C 1.548 176.293 174.600 0.242 0.000 1.338 1004 S CA 0.065 58.417 58.200 0.254 0.000 1.045 1004 S CB 1.075 64.455 63.200 0.300 0.000 0.873 1004 S HN 1.003 nan 8.310 nan 0.000 0.516 1005 A N 3.527 126.446 122.820 0.165 0.000 1.948 1005 A HA -0.157 4.170 4.320 0.012 0.000 0.220 1005 A C 2.013 179.638 177.584 0.068 0.000 1.177 1005 A CA 1.870 53.993 52.037 0.143 0.000 0.636 1005 A CB -0.628 18.434 19.000 0.103 0.000 0.815 1005 A HN 0.960 nan 8.150 nan 0.000 0.449 1006 E N -1.073 119.105 120.200 -0.036 0.000 2.418 1006 E HA -0.110 4.248 4.350 0.012 0.000 0.197 1006 E C 0.723 177.118 176.600 -0.341 0.000 1.026 1006 E CA 0.707 56.974 56.400 -0.222 0.000 0.862 1006 E CB -0.382 29.105 29.700 -0.354 0.000 0.799 1006 E HN 0.690 nan 8.360 nan 0.000 0.518 1007 F N 1.188 121.191 119.950 0.090 0.000 2.639 1007 F HA 0.260 4.794 4.527 0.012 0.000 0.302 1007 F C 0.691 176.532 175.800 0.068 0.000 1.097 1007 F CA -0.577 57.476 58.000 0.089 0.000 1.294 1007 F CB 0.607 39.660 39.000 0.089 0.000 1.027 1007 F HN -0.190 nan 8.300 nan 0.000 0.550 1008 Q N 1.445 121.358 119.800 0.189 0.000 2.261 1008 Q HA 0.370 4.718 4.340 0.012 0.000 0.252 1008 Q C -0.247 175.787 176.000 0.056 0.000 0.915 1008 Q CA -0.368 55.522 55.803 0.145 0.000 0.915 1008 Q CB 1.607 30.534 28.738 0.314 0.000 1.204 1008 Q HN 0.280 nan 8.270 nan 0.000 0.421 1009 L N 2.491 123.733 121.223 0.032 0.000 2.387 1009 L HA 0.130 4.477 4.340 0.012 0.000 0.267 1009 L C 0.476 177.317 176.870 -0.048 0.000 1.197 1009 L CA -0.123 54.728 54.840 0.019 0.000 1.070 1009 L CB -0.339 41.607 42.059 -0.188 0.000 1.349 1009 L HN 0.698 nan 8.230 nan 0.000 0.422 1010 S N -0.979 114.606 115.700 -0.192 0.000 2.593 1010 S HA 0.175 4.652 4.470 0.012 0.000 0.236 1010 S C 1.604 176.128 174.600 -0.127 0.000 0.991 1010 S CA 0.136 58.040 58.200 -0.494 0.000 0.963 1010 S CB 0.804 63.575 63.200 -0.716 0.000 0.865 1010 S HN 0.533 nan 8.310 nan 0.000 0.488 1011 A N 1.575 124.356 122.820 -0.065 0.000 2.125 1011 A HA 0.420 4.747 4.320 0.012 0.000 0.219 1011 A C 2.129 179.565 177.584 -0.247 0.000 1.156 1011 A CA 1.315 53.178 52.037 -0.289 0.000 0.671 1011 A CB -1.256 17.346 19.000 -0.663 0.000 0.794 1011 A HN 1.469 nan 8.150 nan 0.000 0.459 1012 G N -1.389 107.358 108.800 -0.088 0.000 2.640 1012 G HA2 -0.301 3.666 3.960 0.012 0.000 0.226 1012 G HA3 -0.301 3.666 3.960 0.012 0.000 0.226 1012 G C 0.467 175.354 174.900 -0.023 0.000 1.222 1012 G CA 0.455 45.556 45.100 0.001 0.000 0.729 1012 G HN 0.692 nan 8.290 nan 0.000 0.516 1013 R N -0.414 119.953 120.500 -0.222 0.000 2.534 1013 R HA 0.685 5.033 4.340 0.012 0.000 0.301 1013 R C -1.517 174.522 176.300 -0.436 0.000 0.961 1013 R CA -0.582 55.424 56.100 -0.157 0.000 0.871 1013 R CB 1.457 31.710 30.300 -0.078 0.000 1.170 1013 R HN 0.257 nan 8.270 nan 0.000 0.446 1014 Y N 0.566 120.862 120.300 -0.005 0.000 2.425 1014 Y HA 0.317 4.874 4.550 0.012 0.000 0.344 1014 Y C -0.412 175.626 175.900 0.229 0.000 0.969 1014 Y CA -0.803 57.253 58.100 -0.073 0.000 1.052 1014 Y CB 2.048 40.345 38.460 -0.273 0.000 1.215 1014 Y HN 0.573 nan 8.280 nan 0.000 0.451 1015 H N 3.456 122.773 119.070 0.411 0.000 2.589 1015 H HA 0.585 5.148 4.556 0.012 0.000 0.351 1015 H C -1.677 174.029 175.328 0.631 0.000 1.074 1015 H CA -0.918 55.370 56.048 0.401 0.000 1.203 1015 H CB 0.946 30.844 29.762 0.227 0.000 1.558 1015 H HN 0.587 nan 8.280 nan 0.000 0.522 1016 Y N 1.258 121.333 120.300 -0.375 0.000 2.625 1016 Y HA 0.570 5.128 4.550 0.012 0.000 0.338 1016 Y C -1.836 173.872 175.900 -0.319 0.000 1.123 1016 Y CA -1.170 56.812 58.100 -0.197 0.000 1.046 1016 Y CB 1.519 39.965 38.460 -0.023 0.000 1.299 1016 Y HN 0.623 nan 8.280 nan 0.000 0.464 1017 Q N 2.672 122.481 119.800 0.016 0.000 2.315 1017 Q HA 0.756 5.104 4.340 0.012 0.000 0.273 1017 Q C -1.862 174.227 176.000 0.149 0.000 1.053 1017 Q CA -0.924 54.877 55.803 -0.004 0.000 0.817 1017 Q CB 3.348 32.121 28.738 0.059 0.000 1.326 1017 Q HN 0.733 nan 8.270 nan 0.000 0.423 1018 L N 1.029 122.328 121.223 0.126 0.000 2.393 1018 L HA 0.765 5.112 4.340 0.012 0.000 0.260 1018 L C -0.931 176.062 176.870 0.206 0.000 1.002 1018 L CA -1.284 53.670 54.840 0.191 0.000 0.818 1018 L CB 2.447 44.595 42.059 0.149 0.000 1.369 1018 L HN 0.369 nan 8.230 nan 0.000 0.412 1019 V N 0.736 120.796 119.914 0.243 0.000 2.495 1019 V HA 0.421 4.548 4.120 0.012 0.000 0.298 1019 V C -1.253 175.019 176.094 0.297 0.000 1.031 1019 V CA -0.431 62.016 62.300 0.245 0.000 0.871 1019 V CB 2.186 34.127 31.823 0.197 0.000 0.988 1019 V HN 0.614 nan 8.190 nan 0.000 0.432 1020 W N 6.770 128.149 121.300 0.132 0.000 2.417 1020 W HA 0.708 5.375 4.660 0.012 0.000 0.315 1020 W C -0.322 176.220 176.519 0.038 0.000 1.045 1020 W CA -1.105 56.251 57.345 0.018 0.000 1.221 1020 W CB 1.389 30.931 29.460 0.137 0.000 1.309 1020 W HN 0.889 nan 8.180 nan 0.000 0.453 1021 C N 4.377 123.927 119.300 0.416 0.000 3.340 1021 C HA 0.692 5.159 4.460 0.012 0.000 0.333 1021 C C -0.638 174.472 174.990 0.200 0.000 1.464 1021 C CA -0.777 58.422 59.018 0.302 0.000 1.337 1021 C CB 1.735 29.588 27.740 0.188 0.000 1.740 1021 C HN 0.719 nan 8.230 nan 0.000 0.450 1022 Q N 1.274 121.143 119.800 0.115 0.000 2.248 1022 Q HA 0.762 5.109 4.340 0.012 0.000 0.263 1022 Q C -0.930 175.062 176.000 -0.014 0.000 1.007 1022 Q CA -0.217 55.589 55.803 0.006 0.000 0.877 1022 Q CB 1.863 30.581 28.738 -0.034 0.000 1.315 1022 Q HN 0.924 nan 8.270 nan 0.000 0.454 1023 K N 0.000 120.363 120.400 -0.062 0.000 2.780 1023 K HA 0.000 4.327 4.320 0.012 0.000 0.191 1023 K CA 0.000 56.260 56.287 -0.046 0.000 0.838 1023 K CB 0.000 32.480 32.500 -0.033 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543