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 1jyx_1_B 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 0.000 176.102 176.300 -0.329 0.000 0.893 13 R CA 0.000 55.976 56.100 -0.206 0.000 0.921 13 R CB 0.000 30.178 30.300 -0.203 0.000 0.687 14 R N 1.731 121.930 120.500 -0.501 0.000 3.158 14 R HA -0.176 4.178 4.340 0.023 0.000 0.244 14 R C -0.530 175.230 176.300 -0.899 0.000 0.900 14 R CA 0.838 56.222 56.100 -1.194 0.000 0.618 14 R CB -1.151 28.602 30.300 -0.912 0.000 1.061 14 R HN 0.314 nan 8.270 nan 0.000 0.471 15 D N -0.179 119.895 120.400 -0.543 0.000 2.263 15 D HA -0.165 4.489 4.640 0.023 0.000 0.208 15 D C 1.581 177.793 176.300 -0.147 0.000 0.971 15 D CA 1.522 55.292 54.000 -0.382 0.000 0.867 15 D CB -0.094 40.310 40.800 -0.659 0.000 0.929 15 D HN 0.724 nan 8.370 nan 0.000 0.492 16 W N 1.280 122.593 121.300 0.020 0.000 3.377 16 W HA 0.223 4.896 4.660 0.023 0.000 0.277 16 W C 0.349 176.972 176.519 0.174 0.000 1.311 16 W CA -0.292 57.176 57.345 0.205 0.000 1.703 16 W CB -0.216 29.413 29.460 0.283 0.000 1.095 16 W HN -0.209 nan 8.180 nan 0.000 0.715 17 E N 1.218 121.281 120.200 -0.229 0.000 3.575 17 E HA 0.048 4.412 4.350 0.023 0.000 0.201 17 E C -0.781 175.697 176.600 -0.202 0.000 0.999 17 E CA -0.204 56.112 56.400 -0.141 0.000 1.315 17 E CB -0.181 29.442 29.700 -0.130 0.000 1.146 17 E HN 0.020 nan 8.360 nan 0.000 0.453 18 N N 1.142 119.750 118.700 -0.153 0.000 2.594 18 N HA 0.134 4.888 4.740 0.023 0.000 0.280 18 N C -2.393 172.990 175.510 -0.210 0.000 1.156 18 N CA -1.857 51.067 53.050 -0.210 0.000 0.831 18 N CB 1.528 39.901 38.487 -0.190 0.000 1.379 18 N HN -0.140 nan 8.380 nan 0.000 0.536 19 P HA 0.099 nan 4.420 nan 0.000 0.242 19 P C 1.028 178.101 177.300 -0.379 0.000 1.197 19 P CA 0.431 63.232 63.100 -0.498 0.000 0.765 19 P CB 0.141 31.062 31.700 -1.297 0.000 0.936 20 G N -0.251 108.367 108.800 -0.303 0.000 2.712 20 G HA2 0.051 4.025 3.960 0.023 0.000 0.212 20 G HA3 0.051 4.025 3.960 0.023 0.000 0.212 20 G C 0.338 175.164 174.900 -0.123 0.000 1.142 20 G CA 0.171 45.142 45.100 -0.215 0.000 0.789 20 G HN 0.200 nan 8.290 nan 0.000 0.535 21 V N 1.781 121.642 119.914 -0.088 0.000 2.326 21 V HA 0.287 4.421 4.120 0.023 0.000 0.281 21 V C 0.931 177.090 176.094 0.109 0.000 1.015 21 V CA 0.142 62.443 62.300 0.002 0.000 0.823 21 V CB 1.144 32.956 31.823 -0.017 0.000 1.009 21 V HN 0.326 nan 8.190 nan 0.000 0.436 22 T N 0.796 115.404 114.554 0.090 0.000 3.040 22 T HA 0.356 4.720 4.350 0.023 0.000 0.250 22 T C 0.270 175.020 174.700 0.083 0.000 1.058 22 T CA 0.066 62.225 62.100 0.098 0.000 0.988 22 T CB 0.250 69.129 68.868 0.018 0.000 0.993 22 T HN 0.702 nan 8.240 nan 0.000 0.519 23 Q N 0.099 119.997 119.800 0.164 0.000 2.776 23 Q HA 0.663 5.017 4.340 0.023 0.000 0.289 23 Q C -2.237 173.904 176.000 0.235 0.000 0.912 23 Q CA -1.022 54.870 55.803 0.148 0.000 0.789 23 Q CB 0.798 29.542 28.738 0.010 0.000 1.498 23 Q HN 0.211 nan 8.270 nan 0.000 0.408 24 L N 1.675 123.064 121.223 0.277 0.000 2.438 24 L HA 0.608 4.961 4.340 0.023 0.000 0.270 24 L C -0.491 176.511 176.870 0.219 0.000 0.972 24 L CA -0.874 54.132 54.840 0.277 0.000 0.831 24 L CB 1.878 44.220 42.059 0.472 0.000 1.273 24 L HN 0.843 nan 8.230 nan 0.000 0.405 25 N N 0.789 119.582 118.700 0.155 0.000 2.778 25 N HA -0.220 4.533 4.740 0.023 0.000 0.249 25 N C 0.297 175.865 175.510 0.098 0.000 1.069 25 N CA 0.893 54.021 53.050 0.129 0.000 0.831 25 N CB -0.813 37.722 38.487 0.079 0.000 1.142 25 N HN 0.650 nan 8.380 nan 0.000 0.573 26 R N 1.017 121.492 120.500 -0.041 0.000 2.543 26 R HA 0.310 4.664 4.340 0.023 0.000 0.277 26 R C 0.558 176.696 176.300 -0.270 0.000 1.074 26 R CA -0.222 55.608 56.100 -0.449 0.000 1.076 26 R CB 0.464 30.533 30.300 -0.385 0.000 0.993 26 R HN 0.134 nan 8.270 nan 0.000 0.459 27 L N 3.000 124.034 121.223 -0.314 0.000 2.466 27 L HA 0.292 4.645 4.340 0.023 0.000 0.257 27 L C 0.669 177.481 176.870 -0.096 0.000 1.189 27 L CA -0.553 54.207 54.840 -0.133 0.000 0.813 27 L CB 0.845 42.856 42.059 -0.080 0.000 1.118 27 L HN 0.782 nan 8.230 nan 0.000 0.471 28 A N 1.359 124.166 122.820 -0.022 0.000 2.466 28 A HA 0.496 4.830 4.320 0.023 0.000 0.238 28 A C 0.247 177.846 177.584 0.025 0.000 1.074 28 A CA 0.001 52.036 52.037 -0.003 0.000 0.774 28 A CB 0.223 19.244 19.000 0.035 0.000 1.015 28 A HN 0.788 nan 8.150 nan 0.000 0.498 29 A N 1.222 124.011 122.820 -0.050 0.000 2.304 29 A HA 0.706 5.040 4.320 0.023 0.000 0.271 29 A C 0.055 177.565 177.584 -0.123 0.000 1.091 29 A CA 0.382 52.316 52.037 -0.171 0.000 0.812 29 A CB -0.005 18.880 19.000 -0.193 0.000 1.056 29 A HN 1.844 nan 8.150 nan 0.000 0.489 30 H N -2.162 116.756 119.070 -0.252 0.000 2.950 30 H HA 0.632 5.201 4.556 0.023 0.000 0.307 30 H C -3.390 171.659 175.328 -0.464 0.000 1.403 30 H CA -1.797 54.035 56.048 -0.360 0.000 1.145 30 H CB 0.141 29.568 29.762 -0.559 0.000 1.844 30 H HN 0.384 nan 8.280 nan 0.000 0.515 31 P HA 0.221 nan 4.420 nan 0.000 0.274 31 P C -2.603 174.525 177.300 -0.288 0.000 1.246 31 P CA -1.505 61.382 63.100 -0.354 0.000 0.795 31 P CB -0.227 31.199 31.700 -0.457 0.000 1.006 32 P HA 0.035 nan 4.420 nan 0.000 0.260 32 P C -0.760 176.718 177.300 0.296 0.000 1.185 32 P CA 1.117 64.247 63.100 0.051 0.000 0.763 32 P CB -0.169 31.599 31.700 0.114 0.000 0.776 33 F N 1.362 121.414 119.950 0.170 0.000 2.575 33 F HA 0.626 5.167 4.527 0.023 0.000 0.330 33 F C 1.067 176.788 175.800 -0.132 0.000 1.056 33 F CA -1.058 56.983 58.000 0.068 0.000 0.964 33 F CB 2.073 41.080 39.000 0.012 0.000 1.258 33 F HN 0.206 nan 8.300 nan 0.000 0.484 34 A N 0.052 122.781 122.820 -0.151 0.000 2.664 34 A HA 0.246 4.579 4.320 0.023 0.000 0.222 34 A C 0.562 177.850 177.584 -0.493 0.000 1.320 34 A CA 0.417 52.134 52.037 -0.533 0.000 1.029 34 A CB -0.128 18.040 19.000 -1.386 0.000 1.318 34 A HN 0.737 nan 8.150 nan 0.000 0.589 35 S N 0.406 115.925 115.700 -0.301 0.000 3.550 35 S HA -0.149 4.334 4.470 0.023 0.000 0.372 35 S C 0.042 174.580 174.600 -0.104 0.000 0.966 35 S CA 0.485 58.571 58.200 -0.190 0.000 1.229 35 S CB -1.536 61.556 63.200 -0.179 0.000 0.917 35 S HN 0.480 nan 8.310 nan 0.000 0.496 36 W N 1.424 122.706 121.300 -0.030 0.000 2.137 36 W HA 0.249 4.923 4.660 0.022 0.000 0.344 36 W C 1.386 177.886 176.519 -0.032 0.000 1.286 36 W CA -0.470 56.862 57.345 -0.020 0.000 1.240 36 W CB 0.227 29.675 29.460 -0.021 0.000 1.141 36 W HN 0.324 nan 8.180 nan 0.000 0.579 37 R N 1.864 122.498 120.500 0.223 0.000 2.596 37 R HA 0.082 4.436 4.340 0.023 0.000 0.369 37 R C -0.127 176.227 176.300 0.090 0.000 1.042 37 R CA -0.175 55.994 56.100 0.115 0.000 1.120 37 R CB -0.109 30.231 30.300 0.066 0.000 1.353 37 R HN 0.336 nan 8.270 nan 0.000 0.564 38 N N 0.062 118.823 118.700 0.102 0.000 2.478 38 N HA 0.115 4.869 4.740 0.023 0.000 0.291 38 N C -0.036 175.434 175.510 -0.066 0.000 1.090 38 N CA -0.069 52.992 53.050 0.017 0.000 0.911 38 N CB 1.879 40.380 38.487 0.023 0.000 1.546 38 N HN -0.263 nan 8.380 nan 0.000 0.500 39 S N 2.066 117.714 115.700 -0.087 0.000 2.383 39 S HA -0.100 4.383 4.470 0.023 0.000 0.229 39 S C 1.341 175.774 174.600 -0.278 0.000 1.030 39 S CA 0.839 58.950 58.200 -0.149 0.000 1.002 39 S CB 0.093 63.241 63.200 -0.085 0.000 0.829 39 S HN 0.596 nan 8.310 nan 0.000 0.467 40 E N 1.321 121.373 120.200 -0.246 0.000 2.072 40 E HA -0.102 4.261 4.350 0.023 0.000 0.191 40 E C 2.027 178.397 176.600 -0.384 0.000 0.985 40 E CA 0.873 57.090 56.400 -0.306 0.000 0.801 40 E CB -0.225 29.353 29.700 -0.205 0.000 0.750 40 E HN 0.622 nan 8.360 nan 0.000 0.452 41 E N 0.339 120.318 120.200 -0.368 0.000 2.150 41 E HA -0.120 4.243 4.350 0.023 0.000 0.193 41 E C 1.971 177.934 176.600 -1.062 0.000 0.985 41 E CA 0.796 56.907 56.400 -0.481 0.000 0.814 41 E CB -0.030 29.503 29.700 -0.280 0.000 0.752 41 E HN 0.166 nan 8.360 nan 0.000 0.466 42 A N 1.685 123.742 122.820 -1.272 0.000 1.902 42 A HA -0.202 4.131 4.320 0.023 0.000 0.217 42 A C 2.117 179.115 177.584 -0.977 0.000 1.181 42 A CA 1.459 52.470 52.037 -1.711 0.000 0.623 42 A CB -0.433 18.048 19.000 -0.864 0.000 0.818 42 A HN 0.083 nan 8.150 nan 0.000 0.443 43 R N -0.193 119.895 120.500 -0.686 0.000 2.081 43 R HA -0.127 4.227 4.340 0.023 0.000 0.235 43 R C 1.852 177.864 176.300 -0.480 0.000 1.131 43 R CA 2.057 57.793 56.100 -0.607 0.000 0.960 43 R CB -0.414 29.387 30.300 -0.832 0.000 0.856 43 R HN 0.609 nan 8.270 nan 0.000 0.436 44 T N -2.824 111.471 114.554 -0.432 0.000 3.107 44 T HA 0.086 4.450 4.350 0.023 0.000 0.249 44 T C 0.140 174.737 174.700 -0.171 0.000 1.096 44 T CA 0.377 62.316 62.100 -0.267 0.000 1.012 44 T CB 0.159 68.894 68.868 -0.221 0.000 0.977 44 T HN 0.325 nan 8.240 nan 0.000 0.527 45 D N 0.914 121.176 120.400 -0.230 0.000 2.907 45 D HA -0.149 4.504 4.640 0.023 0.000 0.226 45 D C 0.024 176.421 176.300 0.162 0.000 1.141 45 D CA 0.409 54.422 54.000 0.022 0.000 0.779 45 D CB -1.040 39.822 40.800 0.103 0.000 1.095 45 D HN 0.593 nan 8.370 nan 0.000 0.430 46 R N 0.047 120.606 120.500 0.098 0.000 2.637 46 R HA 0.480 4.833 4.340 0.023 0.000 0.269 46 R C -2.042 174.499 176.300 0.401 0.000 1.089 46 R CA -1.312 54.899 56.100 0.186 0.000 1.177 46 R CB 0.108 30.465 30.300 0.095 0.000 1.091 46 R HN 0.065 nan 8.270 nan 0.000 0.540 47 P HA -0.044 nan 4.420 nan 0.000 0.269 47 P C -0.746 176.724 177.300 0.283 0.000 1.217 47 P CA 0.117 63.361 63.100 0.240 0.000 0.783 47 P CB 0.663 32.453 31.700 0.149 0.000 0.898 48 S N 0.830 116.593 115.700 0.105 0.000 2.502 48 S HA 0.161 4.645 4.470 0.023 0.000 0.304 48 S C 0.822 175.455 174.600 0.054 0.000 1.097 48 S CA -0.521 57.697 58.200 0.030 0.000 1.045 48 S CB 0.810 63.729 63.200 -0.469 0.000 1.019 48 S HN 0.189 nan 8.310 nan 0.000 0.481 49 Q N 2.401 122.266 119.800 0.109 0.000 2.364 49 Q HA -0.058 4.296 4.340 0.023 0.000 0.209 49 Q C 1.180 177.306 176.000 0.210 0.000 0.977 49 Q CA 1.469 57.364 55.803 0.153 0.000 0.885 49 Q CB -0.182 28.648 28.738 0.153 0.000 0.941 49 Q HN 0.729 nan 8.270 nan 0.000 0.464 50 Q N -0.708 119.137 119.800 0.074 0.000 2.451 50 Q HA 0.072 4.426 4.340 0.023 0.000 0.206 50 Q C -0.180 175.865 176.000 0.074 0.000 0.947 50 Q CA 0.183 55.978 55.803 -0.012 0.000 0.937 50 Q CB 0.293 28.947 28.738 -0.141 0.000 1.025 50 Q HN 0.047 nan 8.270 nan 0.000 0.511 51 L N 0.981 122.258 121.223 0.090 0.000 2.324 51 L HA 0.407 4.761 4.340 0.023 0.000 0.274 51 L C -1.108 175.848 176.870 0.143 0.000 1.012 51 L CA -0.333 54.561 54.840 0.089 0.000 0.859 51 L CB 0.825 42.855 42.059 -0.049 0.000 1.224 51 L HN -0.113 nan 8.230 nan 0.000 0.429 52 R N 2.294 122.917 120.500 0.206 0.000 2.604 52 R HA 0.594 4.947 4.340 0.023 0.000 0.287 52 R C -0.426 175.902 176.300 0.047 0.000 0.970 52 R CA -0.688 55.479 56.100 0.112 0.000 0.946 52 R CB 1.936 32.274 30.300 0.062 0.000 1.127 52 R HN 0.632 nan 8.270 nan 0.000 0.473 53 S N 1.982 117.698 115.700 0.027 0.000 2.525 53 S HA 0.260 4.744 4.470 0.023 0.000 0.278 53 S C 0.656 175.253 174.600 -0.004 0.000 1.234 53 S CA -0.669 57.536 58.200 0.008 0.000 1.058 53 S CB 0.529 63.743 63.200 0.024 0.000 0.983 53 S HN 0.562 nan 8.310 nan 0.000 0.495 54 L N 3.483 124.700 121.223 -0.010 0.000 2.700 54 L HA 0.280 4.634 4.340 0.023 0.000 0.234 54 L C 0.285 177.290 176.870 0.225 0.000 1.156 54 L CA -0.379 54.469 54.840 0.013 0.000 0.946 54 L CB -0.425 41.573 42.059 -0.102 0.000 1.216 54 L HN 0.525 nan 8.230 nan 0.000 0.493 55 N N 1.250 120.034 118.700 0.139 0.000 2.415 55 N HA 0.440 5.193 4.740 0.023 0.000 0.248 55 N C 0.705 176.344 175.510 0.216 0.000 1.271 55 N CA 1.069 54.215 53.050 0.160 0.000 0.913 55 N CB 1.125 39.640 38.487 0.048 0.000 1.129 55 N HN 0.288 nan 8.380 nan 0.000 0.444 56 G N 0.105 109.047 108.800 0.237 0.000 2.240 56 G HA2 -0.100 3.874 3.960 0.023 0.000 0.199 56 G HA3 -0.100 3.874 3.960 0.023 0.000 0.199 56 G C -1.466 173.646 174.900 0.353 0.000 1.342 56 G CA -0.769 44.466 45.100 0.226 0.000 1.145 56 G HN 0.462 nan 8.290 nan 0.000 0.477 57 E N 0.258 120.636 120.200 0.298 0.000 2.152 57 E HA 0.445 4.808 4.350 0.023 0.000 0.285 57 E C -0.987 175.847 176.600 0.390 0.000 1.043 57 E CA -0.117 56.463 56.400 0.300 0.000 0.839 57 E CB 0.856 30.654 29.700 0.164 0.000 1.069 57 E HN 0.332 nan 8.360 nan 0.000 0.399 58 W N 1.755 123.135 121.300 0.134 0.000 2.850 58 W HA 0.401 5.075 4.660 0.023 0.000 0.349 58 W C 0.130 176.764 176.519 0.192 0.000 1.133 58 W CA -0.765 56.688 57.345 0.181 0.000 1.117 58 W CB 0.746 30.364 29.460 0.263 0.000 1.442 58 W HN 0.177 nan 8.180 nan 0.000 0.575 59 R N 1.498 122.266 120.500 0.447 0.000 2.368 59 R HA 0.602 4.956 4.340 0.023 0.000 0.302 59 R C -1.469 175.081 176.300 0.417 0.000 1.002 59 R CA -0.850 55.455 56.100 0.342 0.000 0.929 59 R CB 1.192 31.645 30.300 0.256 0.000 1.073 59 R HN 0.463 nan 8.270 nan 0.000 0.464 60 F N 0.472 120.464 119.950 0.071 0.000 2.596 60 F HA 0.607 5.148 4.527 0.023 0.000 0.311 60 F C -1.576 174.091 175.800 -0.223 0.000 1.116 60 F CA -0.687 57.211 58.000 -0.169 0.000 0.957 60 F CB 1.953 40.730 39.000 -0.372 0.000 1.250 60 F HN 0.617 nan 8.300 nan 0.000 0.444 61 A N 4.727 126.868 122.820 -1.130 0.000 2.398 61 A HA 0.575 4.909 4.320 0.023 0.000 0.301 61 A C -2.301 174.459 177.584 -1.374 0.000 1.041 61 A CA -0.531 50.937 52.037 -0.949 0.000 0.711 61 A CB 0.714 19.446 19.000 -0.446 0.000 1.240 61 A HN 0.946 nan 8.150 nan 0.000 0.420 62 W N 2.827 123.334 121.300 -1.322 0.000 2.417 62 W HA 0.726 5.400 4.660 0.023 0.000 0.317 62 W C -1.710 174.186 176.519 -1.038 0.000 1.121 62 W CA -0.260 56.432 57.345 -1.089 0.000 1.208 62 W CB 0.951 30.032 29.460 -0.631 0.000 1.253 62 W HN 0.503 nan 8.180 nan 0.000 0.533 63 F N 6.217 125.526 119.950 -1.069 0.000 2.588 63 F HA 0.369 4.910 4.527 0.023 0.000 0.314 63 F C -1.273 173.586 175.800 -1.568 0.000 1.069 63 F CA -2.156 55.298 58.000 -0.909 0.000 0.931 63 F CB 2.025 40.629 39.000 -0.661 0.000 1.260 63 F HN 0.217 nan 8.300 nan 0.000 0.465 64 P HA 0.139 nan 4.420 nan 0.000 0.231 64 P C -0.422 176.761 177.300 -0.194 0.000 1.168 64 P CA 0.742 63.604 63.100 -0.396 0.000 0.779 64 P CB 0.835 32.609 31.700 0.123 0.000 0.844 65 A N -0.334 122.380 122.820 -0.178 0.000 2.605 65 A HA 0.528 4.862 4.320 0.023 0.000 0.294 65 A C -2.401 175.081 177.584 -0.169 0.000 1.062 65 A CA -1.084 50.892 52.037 -0.101 0.000 0.682 65 A CB 0.578 19.588 19.000 0.015 0.000 1.278 65 A HN -0.299 nan 8.150 nan 0.000 0.410 66 P HA -0.151 nan 4.420 nan 0.000 0.218 66 P C 0.755 177.958 177.300 -0.162 0.000 1.148 66 P CA 1.607 64.569 63.100 -0.230 0.000 0.822 66 P CB 0.224 31.755 31.700 -0.282 0.000 0.784 67 E N 0.014 120.184 120.200 -0.051 0.000 2.265 67 E HA -0.076 4.288 4.350 0.023 0.000 0.196 67 E C 1.974 178.514 176.600 -0.100 0.000 0.996 67 E CA 1.249 57.630 56.400 -0.032 0.000 0.832 67 E CB -0.965 28.750 29.700 0.026 0.000 0.756 67 E HN 0.257 nan 8.360 nan 0.000 0.491 68 A N 0.345 123.074 122.820 -0.151 0.000 2.251 68 A HA 0.110 4.443 4.320 0.023 0.000 0.209 68 A C 0.600 177.904 177.584 -0.467 0.000 1.187 68 A CA -0.121 51.817 52.037 -0.165 0.000 0.823 68 A CB 0.244 19.252 19.000 0.014 0.000 0.846 68 A HN 0.036 nan 8.150 nan 0.000 0.486 69 V N 2.717 122.237 119.914 -0.656 0.000 2.461 69 V HA 0.230 4.364 4.120 0.023 0.000 0.275 69 V C -2.236 173.549 176.094 -0.516 0.000 1.047 69 V CA -1.602 60.096 62.300 -1.003 0.000 0.955 69 V CB 0.808 32.051 31.823 -0.967 0.000 0.988 69 V HN 0.284 nan 8.190 nan 0.000 0.471 70 P HA 0.223 nan 4.420 nan 0.000 0.271 70 P C 0.317 177.552 177.300 -0.108 0.000 1.220 70 P CA -0.317 62.674 63.100 -0.182 0.000 0.768 70 P CB 0.929 32.573 31.700 -0.094 0.000 0.848 71 E N 1.236 121.389 120.200 -0.078 0.000 2.171 71 E HA -0.202 4.162 4.350 0.023 0.000 0.197 71 E C 1.901 178.473 176.600 -0.046 0.000 0.997 71 E CA 1.801 58.161 56.400 -0.067 0.000 0.810 71 E CB -0.944 28.725 29.700 -0.051 0.000 0.738 71 E HN 0.574 nan 8.360 nan 0.000 0.467 72 S N -0.245 115.447 115.700 -0.014 0.000 2.400 72 S HA -0.227 4.257 4.470 0.023 0.000 0.232 72 S C 1.845 176.464 174.600 0.031 0.000 1.025 72 S CA 1.143 59.347 58.200 0.006 0.000 0.993 72 S CB -0.603 62.614 63.200 0.028 0.000 0.808 72 S HN 0.575 nan 8.310 nan 0.000 0.478 73 W N 2.090 123.293 121.300 -0.163 0.000 2.392 73 W HA 0.048 4.722 4.660 0.023 0.000 0.279 73 W C 1.648 178.052 176.519 -0.192 0.000 1.225 73 W CA 1.107 58.355 57.345 -0.162 0.000 1.233 73 W CB -0.331 29.005 29.460 -0.205 0.000 1.122 73 W HN 0.305 nan 8.180 nan 0.000 0.561 74 L N 0.294 121.324 121.223 -0.322 0.000 2.127 74 L HA -0.185 4.169 4.340 0.023 0.000 0.211 74 L C 2.315 178.960 176.870 -0.375 0.000 1.089 74 L CA 1.432 55.926 54.840 -0.576 0.000 0.757 74 L CB -0.715 41.039 42.059 -0.508 0.000 0.899 74 L HN -0.005 nan 8.230 nan 0.000 0.434 75 E N -1.419 118.650 120.200 -0.219 0.000 2.447 75 E HA 0.135 4.499 4.350 0.023 0.000 0.204 75 E C -0.095 176.439 176.600 -0.109 0.000 0.977 75 E CA 0.165 56.483 56.400 -0.135 0.000 0.950 75 E CB 0.907 30.562 29.700 -0.076 0.000 0.975 75 E HN 0.421 nan 8.360 nan 0.000 0.496 76 C N 0.133 119.371 119.300 -0.103 0.000 3.082 76 C HA 0.350 4.824 4.460 0.023 0.000 0.324 76 C C -0.105 174.878 174.990 -0.012 0.000 1.210 76 C CA -1.714 57.273 59.018 -0.050 0.000 1.366 76 C CB 1.234 28.965 27.740 -0.016 0.000 1.756 76 C HN 0.169 nan 8.230 nan 0.000 0.485 77 D N 0.493 120.901 120.400 0.013 0.000 2.419 77 D HA 0.300 4.954 4.640 0.023 0.000 0.236 77 D C -0.586 175.782 176.300 0.114 0.000 1.165 77 D CA 0.236 54.284 54.000 0.080 0.000 0.882 77 D CB 0.568 41.407 40.800 0.066 0.000 1.201 77 D HN 0.454 nan 8.370 nan 0.000 0.443 78 L N 5.096 126.423 121.223 0.173 0.000 2.281 78 L HA 0.263 4.617 4.340 0.023 0.000 0.285 78 L C -1.354 175.572 176.870 0.094 0.000 1.074 78 L CA -1.510 53.416 54.840 0.143 0.000 0.817 78 L CB 1.353 43.511 42.059 0.164 0.000 1.168 78 L HN 0.503 nan 8.230 nan 0.000 0.434 79 P HA -0.141 nan 4.420 nan 0.000 0.220 79 P C 0.645 177.971 177.300 0.044 0.000 1.148 79 P CA 1.031 64.161 63.100 0.050 0.000 0.803 79 P CB 0.287 32.010 31.700 0.039 0.000 0.782 80 E N -0.436 119.787 120.200 0.039 0.000 2.435 80 E HA 0.160 4.524 4.350 0.023 0.000 0.195 80 E C 1.054 177.664 176.600 0.017 0.000 1.029 80 E CA 0.042 56.452 56.400 0.017 0.000 0.865 80 E CB -0.568 29.125 29.700 -0.011 0.000 0.833 80 E HN 0.173 nan 8.360 nan 0.000 0.510 81 A N 1.236 124.079 122.820 0.039 0.000 2.429 81 A HA 0.117 4.451 4.320 0.023 0.000 0.242 81 A C 0.027 177.666 177.584 0.092 0.000 1.088 81 A CA -0.148 51.916 52.037 0.045 0.000 0.784 81 A CB 0.303 19.359 19.000 0.093 0.000 1.038 81 A HN -0.047 nan 8.150 nan 0.000 0.501 82 D N -0.644 119.842 120.400 0.144 0.000 2.442 82 D HA 0.559 5.213 4.640 0.023 0.000 0.254 82 D C -0.636 175.781 176.300 0.195 0.000 1.069 82 D CA 0.057 54.165 54.000 0.180 0.000 1.017 82 D CB 1.446 42.411 40.800 0.275 0.000 1.172 82 D HN 0.392 nan 8.370 nan 0.000 0.561 83 T N 0.459 115.112 114.554 0.164 0.000 2.779 83 T HA 0.536 4.900 4.350 0.023 0.000 0.280 83 T C -0.153 174.639 174.700 0.154 0.000 0.987 83 T CA -0.562 61.640 62.100 0.170 0.000 0.966 83 T CB 0.836 69.777 68.868 0.122 0.000 0.933 83 T HN 0.262 nan 8.240 nan 0.000 0.442 84 V N 1.286 121.317 119.914 0.195 0.000 3.130 84 V HA 0.813 4.947 4.120 0.023 0.000 0.310 84 V C -0.456 175.751 176.094 0.189 0.000 1.158 84 V CA -1.034 61.341 62.300 0.125 0.000 1.029 84 V CB 1.666 33.569 31.823 0.135 0.000 1.057 84 V HN 0.518 nan 8.190 nan 0.000 0.436 85 V N 2.030 122.027 119.914 0.139 0.000 2.583 85 V HA 0.525 4.659 4.120 0.023 0.000 0.287 85 V C 0.026 176.191 176.094 0.119 0.000 1.051 85 V CA -0.120 62.264 62.300 0.138 0.000 1.010 85 V CB 1.292 33.168 31.823 0.090 0.000 0.988 85 V HN 0.750 nan 8.190 nan 0.000 0.478 86 V N 7.024 126.931 119.914 -0.011 0.000 2.531 86 V HA 0.442 4.576 4.120 0.023 0.000 0.301 86 V C -2.355 173.628 176.094 -0.185 0.000 1.034 86 V CA -1.653 60.494 62.300 -0.255 0.000 0.865 86 V CB 2.391 33.688 31.823 -0.876 0.000 0.995 86 V HN 0.761 nan 8.190 nan 0.000 0.424 87 P HA 0.520 nan 4.420 nan 0.000 0.281 87 P C -0.818 176.414 177.300 -0.113 0.000 1.249 87 P CA -0.198 62.782 63.100 -0.199 0.000 0.810 87 P CB 1.481 33.068 31.700 -0.189 0.000 1.008 88 S N 0.597 116.231 115.700 -0.110 0.000 2.615 88 S HA 0.471 4.954 4.470 0.023 0.000 0.268 88 S C -1.316 173.209 174.600 -0.126 0.000 1.146 88 S CA -1.005 57.115 58.200 -0.133 0.000 0.818 88 S CB 0.598 63.658 63.200 -0.233 0.000 1.111 88 S HN 0.349 nan 8.310 nan 0.000 0.465 89 N N 0.890 119.453 118.700 -0.230 0.000 2.407 89 N HA 0.433 5.187 4.740 0.023 0.000 0.277 89 N C 0.421 175.749 175.510 -0.304 0.000 0.995 89 N CA -0.915 51.979 53.050 -0.260 0.000 0.903 89 N CB 0.828 39.134 38.487 -0.301 0.000 1.218 89 N HN 0.876 nan 8.380 nan 0.000 0.487 90 W N 2.391 123.532 121.300 -0.265 0.000 2.364 90 W HA -0.115 4.559 4.660 0.023 0.000 0.281 90 W C 0.971 177.462 176.519 -0.048 0.000 1.219 90 W CA 0.851 58.048 57.345 -0.248 0.000 1.220 90 W CB -0.362 28.969 29.460 -0.215 0.000 1.127 90 W HN 0.505 nan 8.180 nan 0.000 0.556 91 Q N 0.454 120.238 119.800 -0.028 0.000 2.224 91 Q HA -0.079 4.274 4.340 0.023 0.000 0.203 91 Q C 2.153 178.099 176.000 -0.089 0.000 0.970 91 Q CA 1.647 57.437 55.803 -0.023 0.000 0.865 91 Q CB -0.497 28.106 28.738 -0.225 0.000 0.922 91 Q HN 0.295 nan 8.270 nan 0.000 0.445 92 M N -0.841 118.667 119.600 -0.153 0.000 2.630 92 M HA -0.036 4.458 4.480 0.023 0.000 0.254 92 M C 0.573 176.934 176.300 0.101 0.000 1.092 92 M CA 1.310 56.547 55.300 -0.105 0.000 1.087 92 M CB -0.513 32.012 32.600 -0.124 0.000 1.453 92 M HN 0.380 nan 8.290 nan 0.000 0.509 93 H N -0.792 118.320 119.070 0.070 0.000 2.586 93 H HA 0.290 4.860 4.556 0.023 0.000 0.273 93 H C 1.296 176.571 175.328 -0.088 0.000 0.997 93 H CA 0.107 56.200 56.048 0.076 0.000 1.177 93 H CB 0.505 30.432 29.762 0.275 0.000 1.471 93 H HN 0.552 nan 8.280 nan 0.000 0.538 94 G N 0.647 109.483 108.800 0.060 0.000 2.157 94 G HA2 -0.365 3.609 3.960 0.023 0.000 0.248 94 G HA3 -0.365 3.609 3.960 0.023 0.000 0.248 94 G C 0.382 175.174 174.900 -0.179 0.000 0.979 94 G CA 0.322 45.372 45.100 -0.082 0.000 0.650 94 G HN 0.465 nan 8.290 nan 0.000 0.529 95 Y N 1.573 121.906 120.300 0.054 0.000 2.293 95 Y HA 0.246 4.809 4.550 0.023 0.000 0.291 95 Y C 1.669 177.379 175.900 -0.317 0.000 1.137 95 Y CA 1.665 59.694 58.100 -0.117 0.000 1.202 95 Y CB 0.212 38.693 38.460 0.035 0.000 0.990 95 Y HN 0.665 nan 8.280 nan 0.000 0.537 96 D N -2.003 118.478 120.400 0.136 0.000 2.665 96 D HA 0.495 5.149 4.640 0.023 0.000 0.287 96 D C -1.273 175.114 176.300 0.146 0.000 1.266 96 D CA -0.837 53.236 54.000 0.123 0.000 0.830 96 D CB 0.782 41.776 40.800 0.324 0.000 1.356 96 D HN -0.062 nan 8.370 nan 0.000 0.437 97 A N 0.037 122.943 122.820 0.144 0.000 2.306 97 A HA 0.739 5.073 4.320 0.023 0.000 0.314 97 A C -2.397 175.223 177.584 0.060 0.000 1.164 97 A CA -1.290 50.801 52.037 0.090 0.000 0.822 97 A CB 0.343 19.463 19.000 0.199 0.000 1.130 97 A HN 0.548 nan 8.150 nan 0.000 0.496 98 P HA 0.434 nan 4.420 nan 0.000 0.278 98 P C -0.912 176.564 177.300 0.294 0.000 1.238 98 P CA 0.082 63.146 63.100 -0.060 0.000 0.794 98 P CB 0.743 32.157 31.700 -0.475 0.000 0.955 99 I N 2.316 123.154 120.570 0.447 0.000 2.433 99 I HA 0.247 4.431 4.170 0.023 0.000 0.292 99 I C -0.448 175.902 176.117 0.388 0.000 1.001 99 I CA -1.007 60.560 61.300 0.446 0.000 1.119 99 I CB 1.603 39.791 38.000 0.313 0.000 1.289 99 I HN 0.286 nan 8.210 nan 0.000 0.438 100 Y N 5.981 126.282 120.300 0.001 0.000 2.595 100 Y HA 0.442 5.005 4.550 0.023 0.000 0.336 100 Y C -0.156 175.601 175.900 -0.239 0.000 0.996 100 Y CA -0.407 57.392 58.100 -0.503 0.000 1.260 100 Y CB 0.855 38.525 38.460 -1.317 0.000 1.108 100 Y HN 0.542 nan 8.280 nan 0.000 0.509 101 T N 4.731 118.768 114.554 -0.861 0.000 2.861 101 T HA 0.263 4.627 4.350 0.023 0.000 0.287 101 T C 0.347 174.550 174.700 -0.827 0.000 1.003 101 T CA -0.527 61.104 62.100 -0.782 0.000 0.977 101 T CB 1.143 69.795 68.868 -0.361 0.000 0.996 101 T HN 0.884 nan 8.240 nan 0.000 0.448 102 N N 2.598 120.856 118.700 -0.735 0.000 2.272 102 N HA 0.001 4.754 4.740 0.023 0.000 0.195 102 N C 1.457 176.698 175.510 -0.448 0.000 1.048 102 N CA 0.598 53.356 53.050 -0.487 0.000 0.912 102 N CB 0.183 38.390 38.487 -0.467 0.000 1.096 102 N HN 0.378 nan 8.380 nan 0.000 0.471 103 V N 0.610 120.193 119.914 -0.553 0.000 2.492 103 V HA 0.037 4.171 4.120 0.023 0.000 0.241 103 V C 0.619 176.410 176.094 -0.506 0.000 1.041 103 V CA 0.839 62.745 62.300 -0.655 0.000 1.057 103 V CB -0.200 31.125 31.823 -0.829 0.000 0.711 103 V HN 0.345 nan 8.190 nan 0.000 0.468 104 T N 0.797 115.117 114.554 -0.391 0.000 2.888 104 T HA 0.188 4.552 4.350 0.023 0.000 0.301 104 T C -0.349 174.219 174.700 -0.221 0.000 1.001 104 T CA 0.140 62.084 62.100 -0.259 0.000 1.147 104 T CB -0.105 68.647 68.868 -0.193 0.000 0.931 104 T HN 0.184 nan 8.240 nan 0.000 0.541 105 Y N 4.352 124.558 120.300 -0.157 0.000 2.683 105 Y HA 0.094 4.657 4.550 0.023 0.000 0.340 105 Y C -0.812 174.967 175.900 -0.201 0.000 1.245 105 Y CA -1.581 56.419 58.100 -0.167 0.000 1.485 105 Y CB 0.427 38.789 38.460 -0.163 0.000 1.328 105 Y HN 0.527 nan 8.280 nan 0.000 0.603 106 P HA 0.007 nan 4.420 nan 0.000 0.241 106 P C -0.335 176.756 177.300 -0.350 0.000 1.191 106 P CA 1.001 64.003 63.100 -0.163 0.000 0.771 106 P CB 0.057 31.701 31.700 -0.094 0.000 0.929 107 I N -5.212 115.115 120.570 -0.406 0.000 3.002 107 I HA 0.504 4.688 4.170 0.023 0.000 0.310 107 I C -0.505 175.474 176.117 -0.230 0.000 1.087 107 I CA -1.198 59.825 61.300 -0.461 0.000 1.017 107 I CB 1.734 39.276 38.000 -0.763 0.000 1.226 107 I HN -0.464 nan 8.210 nan 0.000 0.443 108 T N 2.893 117.358 114.554 -0.149 0.000 2.934 108 T HA 0.117 4.481 4.350 0.023 0.000 0.306 108 T C 0.185 174.865 174.700 -0.034 0.000 1.042 108 T CA -0.156 61.908 62.100 -0.060 0.000 1.145 108 T CB 0.561 69.417 68.868 -0.019 0.000 0.982 108 T HN 0.382 nan 8.240 nan 0.000 0.544 109 V N 5.094 125.003 119.914 -0.009 0.000 2.381 109 V HA 0.206 4.340 4.120 0.023 0.000 0.257 109 V C 0.696 176.826 176.094 0.060 0.000 1.057 109 V CA -0.028 62.281 62.300 0.016 0.000 1.013 109 V CB -0.136 31.683 31.823 -0.006 0.000 1.069 109 V HN 0.877 nan 8.190 nan 0.000 0.484 110 N N 6.145 124.938 118.700 0.155 0.000 2.679 110 N HA 0.228 4.982 4.740 0.023 0.000 0.240 110 N C -2.921 172.645 175.510 0.093 0.000 1.537 110 N CA -1.130 51.996 53.050 0.127 0.000 0.793 110 N CB 1.375 39.980 38.487 0.197 0.000 1.391 110 N HN 0.274 nan 8.380 nan 0.000 0.524 111 P HA 0.191 nan 4.420 nan 0.000 0.266 111 P C -2.189 174.871 177.300 -0.400 0.000 1.195 111 P CA -0.659 62.037 63.100 -0.674 0.000 0.768 111 P CB 0.541 31.617 31.700 -1.039 0.000 0.838 112 P HA 0.202 nan 4.420 nan 0.000 0.263 112 P C -0.277 176.916 177.300 -0.178 0.000 1.448 112 P CA -0.239 62.666 63.100 -0.326 0.000 0.983 112 P CB -0.014 31.477 31.700 -0.347 0.000 1.481 113 F N 1.018 121.088 119.950 0.201 0.000 2.406 113 F HA 0.275 4.816 4.527 0.024 0.000 0.327 113 F C 1.423 177.385 175.800 0.269 0.000 1.153 113 F CA -0.696 57.423 58.000 0.199 0.000 1.218 113 F CB 0.722 39.785 39.000 0.106 0.000 1.215 113 F HN -0.206 nan 8.300 nan 0.000 0.570 114 V N -1.030 119.146 119.914 0.437 0.000 3.155 114 V HA 0.681 4.814 4.120 0.023 0.000 0.313 114 V C -2.794 173.446 176.094 0.243 0.000 1.162 114 V CA -2.932 59.538 62.300 0.284 0.000 1.048 114 V CB 1.318 33.368 31.823 0.378 0.000 1.092 114 V HN 0.462 nan 8.190 nan 0.000 0.447 115 P HA 0.176 nan 4.420 nan 0.000 0.267 115 P C 1.061 178.497 177.300 0.226 0.000 1.200 115 P CA 0.649 63.834 63.100 0.141 0.000 0.772 115 P CB 0.609 32.367 31.700 0.096 0.000 0.855 116 T N -1.229 113.432 114.554 0.178 0.000 2.904 116 T HA -0.097 4.267 4.350 0.023 0.000 0.267 116 T C 0.497 175.309 174.700 0.187 0.000 1.059 116 T CA 0.788 63.001 62.100 0.188 0.000 1.137 116 T CB -0.604 68.341 68.868 0.127 0.000 0.879 116 T HN 0.398 nan 8.240 nan 0.000 0.467 117 E N 2.707 123.015 120.200 0.180 0.000 1.944 117 E HA 0.217 4.580 4.350 0.023 0.000 0.272 117 E C -0.679 176.080 176.600 0.265 0.000 1.195 117 E CA -0.345 56.171 56.400 0.193 0.000 0.926 117 E CB 0.048 29.868 29.700 0.201 0.000 1.051 117 E HN 0.290 nan 8.360 nan 0.000 0.404 118 N N 4.371 123.202 118.700 0.219 0.000 2.623 118 N HA 0.219 4.973 4.740 0.023 0.000 0.256 118 N C -2.835 172.712 175.510 0.061 0.000 1.045 118 N CA -2.575 50.640 53.050 0.274 0.000 0.863 118 N CB 1.066 39.710 38.487 0.261 0.000 1.182 118 N HN 0.028 nan 8.380 nan 0.000 0.523 119 P HA -0.003 nan 4.420 nan 0.000 0.260 119 P C -0.778 176.396 177.300 -0.209 0.000 1.172 119 P CA 0.577 63.600 63.100 -0.127 0.000 0.760 119 P CB 0.350 32.303 31.700 0.421 0.000 0.773 120 T N 2.862 117.015 114.554 -0.669 0.000 2.807 120 T HA 0.575 4.939 4.350 0.023 0.000 0.279 120 T C 0.288 174.466 174.700 -0.869 0.000 0.993 120 T CA -0.541 61.257 62.100 -0.504 0.000 0.970 120 T CB 1.586 70.184 68.868 -0.450 0.000 0.950 120 T HN 0.327 nan 8.240 nan 0.000 0.441 121 G N 1.082 109.452 108.800 -0.716 0.000 2.384 121 G HA2 0.476 4.450 3.960 0.023 0.000 0.316 121 G HA3 0.476 4.450 3.960 0.023 0.000 0.316 121 G C -0.253 174.410 174.900 -0.396 0.000 1.160 121 G CA -0.369 44.162 45.100 -0.949 0.000 0.936 121 G HN 0.877 nan 8.290 nan 0.000 0.455 122 C N 3.197 122.062 119.300 -0.724 0.000 2.225 122 C HA 0.469 4.943 4.460 0.023 0.000 0.328 122 C C -0.426 174.561 174.990 -0.005 0.000 1.187 122 C CA -0.848 57.905 59.018 -0.442 0.000 1.665 122 C CB -1.739 25.269 27.740 -1.221 0.000 2.253 122 C HN 0.626 nan 8.230 nan 0.000 0.497 123 Y N 1.892 122.494 120.300 0.504 0.000 2.457 123 Y HA 0.642 5.206 4.550 0.023 0.000 0.333 123 Y C 0.788 177.133 175.900 0.742 0.000 1.119 123 Y CA -0.122 58.364 58.100 0.644 0.000 1.143 123 Y CB 1.586 40.393 38.460 0.579 0.000 1.230 123 Y HN 0.688 nan 8.280 nan 0.000 0.469 124 S N 2.108 118.291 115.700 0.805 0.000 2.579 124 S HA 0.825 5.309 4.470 0.023 0.000 0.272 124 S C -1.953 172.729 174.600 0.137 0.000 1.141 124 S CA -0.799 57.648 58.200 0.412 0.000 0.843 124 S CB 2.204 65.507 63.200 0.172 0.000 1.122 124 S HN 0.618 nan 8.310 nan 0.000 0.468 125 L N 0.634 121.751 121.223 -0.177 0.000 2.513 125 L HA 0.736 5.089 4.340 0.023 0.000 0.261 125 L C -1.262 175.545 176.870 -0.105 0.000 0.945 125 L CA 0.114 54.681 54.840 -0.455 0.000 0.848 125 L CB 2.259 43.515 42.059 -1.338 0.000 1.334 125 L HN 0.903 nan 8.230 nan 0.000 0.407 126 T N 5.760 120.290 114.554 -0.039 0.000 2.772 126 T HA 0.727 5.091 4.350 0.023 0.000 0.288 126 T C -0.823 173.945 174.700 0.114 0.000 0.994 126 T CA -0.038 62.091 62.100 0.048 0.000 0.951 126 T CB 0.126 68.983 68.868 -0.018 0.000 0.933 126 T HN 0.470 nan 8.240 nan 0.000 0.447 127 F N 1.329 121.180 119.950 -0.165 0.000 2.664 127 F HA 0.754 5.295 4.527 0.023 0.000 0.317 127 F C -0.662 175.061 175.800 -0.129 0.000 1.108 127 F CA -1.544 56.362 58.000 -0.157 0.000 0.957 127 F CB 1.461 40.344 39.000 -0.195 0.000 1.365 127 F HN 0.354 nan 8.300 nan 0.000 0.475 128 N N 0.087 118.667 118.700 -0.199 0.000 2.456 128 N HA 0.677 5.431 4.740 0.023 0.000 0.296 128 N C -1.976 173.362 175.510 -0.287 0.000 1.102 128 N CA -0.528 52.350 53.050 -0.285 0.000 0.924 128 N CB 2.004 40.396 38.487 -0.158 0.000 1.186 128 N HN 0.628 nan 8.380 nan 0.000 0.492 129 V N 2.010 121.735 119.914 -0.314 0.000 2.577 129 V HA 0.242 4.375 4.120 0.023 0.000 0.303 129 V C -0.584 175.372 176.094 -0.230 0.000 1.042 129 V CA -0.972 61.157 62.300 -0.284 0.000 0.872 129 V CB 1.640 33.345 31.823 -0.197 0.000 0.998 129 V HN 0.747 nan 8.190 nan 0.000 0.423 130 D N 2.537 122.749 120.400 -0.313 0.000 2.425 130 D HA 0.029 4.683 4.640 0.023 0.000 0.247 130 D C 1.014 177.299 176.300 -0.024 0.000 1.147 130 D CA 0.104 54.001 54.000 -0.172 0.000 0.879 130 D CB 1.712 42.400 40.800 -0.188 0.000 1.179 130 D HN 0.821 nan 8.370 nan 0.000 0.456 131 E N 1.850 122.053 120.200 0.004 0.000 2.209 131 E HA -0.207 4.157 4.350 0.023 0.000 0.196 131 E C 1.615 178.278 176.600 0.104 0.000 0.993 131 E CA 1.673 58.103 56.400 0.050 0.000 0.819 131 E CB 0.006 29.721 29.700 0.026 0.000 0.745 131 E HN 0.404 nan 8.360 nan 0.000 0.477 132 S N -0.924 114.848 115.700 0.120 0.000 2.442 132 S HA -0.158 4.326 4.470 0.023 0.000 0.236 132 S C 1.512 176.220 174.600 0.179 0.000 1.007 132 S CA 0.860 59.141 58.200 0.136 0.000 0.965 132 S CB -0.708 62.578 63.200 0.144 0.000 0.773 132 S HN 0.437 nan 8.310 nan 0.000 0.504 133 W N 1.579 122.812 121.300 -0.112 0.000 2.584 133 W HA 0.402 5.076 4.660 0.023 0.000 0.264 133 W C 1.821 178.390 176.519 0.083 0.000 1.264 133 W CA -0.265 56.989 57.345 -0.151 0.000 1.306 133 W CB -0.408 29.032 29.460 -0.032 0.000 1.110 133 W HN 0.306 nan 8.180 nan 0.000 0.606 134 L N 0.041 121.436 121.223 0.286 0.000 2.416 134 L HA -0.025 4.328 4.340 0.023 0.000 0.216 134 L C 2.531 179.489 176.870 0.147 0.000 1.098 134 L CA 0.613 55.580 54.840 0.211 0.000 0.840 134 L CB -0.815 41.335 42.059 0.151 0.000 0.981 134 L HN 0.044 nan 8.230 nan 0.000 0.462 135 Q N 1.860 121.733 119.800 0.122 0.000 2.224 135 Q HA -0.079 4.274 4.340 0.023 0.000 0.203 135 Q C 0.173 176.224 176.000 0.085 0.000 0.970 135 Q CA 0.852 56.705 55.803 0.084 0.000 0.865 135 Q CB 0.020 28.794 28.738 0.059 0.000 0.922 135 Q HN 0.661 nan 8.270 nan 0.000 0.445 136 E N -1.344 118.927 120.200 0.118 0.000 2.445 136 E HA 0.546 4.910 4.350 0.023 0.000 0.279 136 E C -0.212 176.496 176.600 0.180 0.000 1.018 136 E CA -0.850 55.617 56.400 0.112 0.000 0.816 136 E CB 1.124 30.874 29.700 0.084 0.000 1.356 136 E HN 0.167 nan 8.360 nan 0.000 0.462 137 G N 0.495 109.337 108.800 0.069 0.000 2.698 137 G HA2 -0.272 3.702 3.960 0.023 0.000 0.233 137 G HA3 -0.272 3.702 3.960 0.023 0.000 0.233 137 G C -0.776 174.038 174.900 -0.143 0.000 1.352 137 G CA 0.181 45.227 45.100 -0.090 0.000 0.879 137 G HN 0.725 nan 8.290 nan 0.000 0.567 138 Q N -0.686 118.879 119.800 -0.392 0.000 2.337 138 Q HA 0.629 4.982 4.340 0.023 0.000 0.270 138 Q C -0.981 174.859 176.000 -0.268 0.000 1.043 138 Q CA -0.496 55.176 55.803 -0.218 0.000 0.794 138 Q CB 1.587 30.224 28.738 -0.168 0.000 1.281 138 Q HN 0.622 nan 8.270 nan 0.000 0.446 139 T N 4.925 119.499 114.554 0.033 0.000 2.788 139 T HA 0.451 4.815 4.350 0.023 0.000 0.296 139 T C -0.597 174.213 174.700 0.184 0.000 1.009 139 T CA -0.607 61.609 62.100 0.195 0.000 0.949 139 T CB 0.381 69.506 68.868 0.428 0.000 0.946 139 T HN 0.596 nan 8.240 nan 0.000 0.453 140 R N 2.885 123.477 120.500 0.153 0.000 2.832 140 R HA 0.796 5.150 4.340 0.023 0.000 0.271 140 R C -1.024 175.369 176.300 0.155 0.000 0.996 140 R CA -1.002 55.188 56.100 0.150 0.000 0.977 140 R CB 1.553 31.916 30.300 0.104 0.000 1.168 140 R HN 0.552 nan 8.270 nan 0.000 0.482 141 I N 1.955 122.618 120.570 0.155 0.000 2.562 141 I HA 0.464 4.648 4.170 0.023 0.000 0.301 141 I C -1.127 175.012 176.117 0.037 0.000 1.003 141 I CA -1.333 60.000 61.300 0.055 0.000 1.127 141 I CB 1.508 39.534 38.000 0.044 0.000 1.304 141 I HN 0.634 nan 8.210 nan 0.000 0.446 142 I N 7.101 127.583 120.570 -0.148 0.000 2.439 142 I HA 0.275 4.459 4.170 0.023 0.000 0.285 142 I C -1.290 174.632 176.117 -0.326 0.000 1.021 142 I CA -0.324 60.908 61.300 -0.113 0.000 1.091 142 I CB 1.430 39.389 38.000 -0.069 0.000 1.242 142 I HN 0.396 nan 8.210 nan 0.000 0.439 143 F N 4.788 124.735 119.950 -0.004 0.000 2.313 143 F HA 0.245 4.785 4.527 0.023 0.000 0.369 143 F C 1.376 177.065 175.800 -0.184 0.000 1.109 143 F CA -0.410 57.511 58.000 -0.131 0.000 1.132 143 F CB 0.559 39.440 39.000 -0.198 0.000 1.291 143 F HN 0.467 nan 8.300 nan 0.000 0.496 144 D N 2.354 122.667 120.400 -0.145 0.000 2.264 144 D HA 0.014 4.668 4.640 0.023 0.000 0.208 144 D C 1.050 177.181 176.300 -0.283 0.000 0.966 144 D CA 0.914 54.786 54.000 -0.213 0.000 0.864 144 D CB 0.374 40.992 40.800 -0.302 0.000 0.933 144 D HN 0.620 nan 8.370 nan 0.000 0.499 145 G N -0.324 108.241 108.800 -0.391 0.000 2.505 145 G HA2 0.434 4.408 3.960 0.023 0.000 0.292 145 G HA3 0.434 4.408 3.960 0.023 0.000 0.292 145 G C -1.429 173.169 174.900 -0.504 0.000 1.332 145 G CA -0.406 44.335 45.100 -0.598 0.000 1.286 145 G HN -0.051 nan 8.290 nan 0.000 0.606 146 V N 2.533 122.371 119.914 -0.128 0.000 2.577 146 V HA 0.548 4.681 4.120 0.023 0.000 0.303 146 V C -0.862 175.304 176.094 0.120 0.000 1.042 146 V CA -1.162 61.068 62.300 -0.116 0.000 0.872 146 V CB 2.017 33.531 31.823 -0.515 0.000 0.998 146 V HN 0.717 nan 8.190 nan 0.000 0.423 147 N N 2.432 121.210 118.700 0.131 0.000 2.407 147 N HA 0.340 5.094 4.740 0.023 0.000 0.277 147 N C 0.576 176.019 175.510 -0.111 0.000 0.995 147 N CA 0.136 53.181 53.050 -0.008 0.000 0.903 147 N CB 2.250 40.599 38.487 -0.230 0.000 1.218 147 N HN 0.666 nan 8.380 nan 0.000 0.487 148 S N 1.978 117.646 115.700 -0.055 0.000 2.520 148 S HA 0.580 5.064 4.470 0.023 0.000 0.219 148 S C 0.364 175.017 174.600 0.089 0.000 1.028 148 S CA 0.154 58.372 58.200 0.030 0.000 0.921 148 S CB 0.289 63.523 63.200 0.057 0.000 0.844 148 S HN 0.696 nan 8.310 nan 0.000 0.495 149 A N 0.786 123.668 122.820 0.103 0.000 2.610 149 A HA 0.795 5.129 4.320 0.023 0.000 0.291 149 A C -1.332 176.347 177.584 0.157 0.000 1.086 149 A CA -0.968 51.107 52.037 0.062 0.000 0.677 149 A CB 0.839 19.893 19.000 0.091 0.000 1.278 149 A HN 1.163 nan 8.150 nan 0.000 0.414 150 F N -0.818 118.945 119.950 -0.311 0.000 2.744 150 F HA 0.717 5.258 4.527 0.023 0.000 0.311 150 F C -1.357 174.313 175.800 -0.217 0.000 1.144 150 F CA -0.819 57.086 58.000 -0.158 0.000 0.938 150 F CB 1.050 39.952 39.000 -0.163 0.000 1.292 150 F HN 0.654 nan 8.300 nan 0.000 0.444 151 H N 1.884 121.035 119.070 0.136 0.000 2.529 151 H HA 0.736 5.306 4.556 0.023 0.000 0.348 151 H C -1.500 173.740 175.328 -0.147 0.000 1.152 151 H CA -0.753 55.240 56.048 -0.092 0.000 1.202 151 H CB 2.506 32.218 29.762 -0.083 0.000 1.562 151 H HN 0.764 nan 8.280 nan 0.000 0.515 152 L N 2.700 123.646 121.223 -0.463 0.000 2.386 152 L HA 0.416 4.770 4.340 0.023 0.000 0.271 152 L C -1.622 174.918 176.870 -0.551 0.000 0.993 152 L CA -0.512 54.126 54.840 -0.336 0.000 0.819 152 L CB 1.480 43.190 42.059 -0.582 0.000 1.294 152 L HN 0.522 nan 8.230 nan 0.000 0.414 153 W N 4.134 125.375 121.300 -0.097 0.000 2.950 153 W HA 0.629 5.303 4.660 0.023 0.000 0.340 153 W C -1.203 175.252 176.519 -0.106 0.000 1.139 153 W CA -0.766 56.520 57.345 -0.098 0.000 1.188 153 W CB 2.110 31.555 29.460 -0.026 0.000 1.426 153 W HN 0.641 nan 8.180 nan 0.000 0.531 154 C N 4.189 123.585 119.300 0.160 0.000 2.551 154 C HA 0.307 4.781 4.460 0.023 0.000 0.332 154 C C 0.155 175.267 174.990 0.203 0.000 1.139 154 C CA -0.382 58.723 59.018 0.144 0.000 1.328 154 C CB -0.253 27.526 27.740 0.065 0.000 1.903 154 C HN 0.819 nan 8.230 nan 0.000 0.459 155 N N 3.540 122.316 118.700 0.127 0.000 2.721 155 N HA -0.193 4.561 4.740 0.023 0.000 0.249 155 N C 1.002 176.574 175.510 0.103 0.000 1.072 155 N CA 2.084 55.186 53.050 0.087 0.000 0.710 155 N CB -1.358 37.184 38.487 0.091 0.000 0.993 155 N HN 1.966 nan 8.380 nan 0.000 0.547 156 G N -1.307 107.549 108.800 0.093 0.000 2.205 156 G HA2 -0.381 3.593 3.960 0.023 0.000 0.261 156 G HA3 -0.381 3.593 3.960 0.023 0.000 0.261 156 G C 0.158 175.220 174.900 0.271 0.000 0.980 156 G CA 0.762 45.914 45.100 0.088 0.000 0.632 156 G HN 0.592 nan 8.290 nan 0.000 0.533 157 R N -1.158 119.569 120.500 0.380 0.000 2.474 157 R HA 0.501 4.855 4.340 0.023 0.000 0.295 157 R C -0.212 176.427 176.300 0.565 0.000 0.980 157 R CA -0.856 55.543 56.100 0.498 0.000 0.934 157 R CB 1.063 31.657 30.300 0.490 0.000 1.101 157 R HN 0.219 nan 8.270 nan 0.000 0.469 158 W N 3.147 124.637 121.300 0.317 0.000 2.253 158 W HA 0.130 4.803 4.660 0.023 0.000 0.322 158 W C 0.069 176.503 176.519 -0.141 0.000 1.342 158 W CA -0.054 57.193 57.345 -0.162 0.000 1.218 158 W CB 0.693 30.006 29.460 -0.245 0.000 1.205 158 W HN 0.338 nan 8.180 nan 0.000 0.551 159 V N 5.376 124.593 119.914 -1.161 0.000 2.627 159 V HA 0.528 4.662 4.120 0.023 0.000 0.239 159 V C 1.086 176.208 176.094 -1.620 0.000 1.077 159 V CA 1.084 62.622 62.300 -1.271 0.000 1.103 159 V CB -0.540 30.563 31.823 -1.200 0.000 0.802 159 V HN 0.819 nan 8.190 nan 0.000 0.482 160 G N -1.800 105.772 108.800 -2.047 0.000 2.341 160 G HA2 0.460 4.434 3.960 0.023 0.000 0.299 160 G HA3 0.460 4.434 3.960 0.023 0.000 0.299 160 G C -2.422 171.981 174.900 -0.827 0.000 1.274 160 G CA -0.237 44.017 45.100 -1.409 0.000 0.853 160 G HN 0.032 nan 8.290 nan 0.000 0.493 161 Y N -0.488 119.535 120.300 -0.462 0.000 2.571 161 Y HA 0.711 5.274 4.550 0.023 0.000 0.341 161 Y C -0.096 175.588 175.900 -0.360 0.000 1.076 161 Y CA -0.078 57.699 58.100 -0.537 0.000 1.029 161 Y CB 2.214 40.539 38.460 -0.225 0.000 1.308 161 Y HN 1.259 nan 8.280 nan 0.000 0.461 162 G N 3.702 111.706 108.800 -1.327 0.000 2.718 162 G HA2 0.589 4.563 3.960 0.023 0.000 0.295 162 G HA3 0.589 4.563 3.960 0.023 0.000 0.295 162 G C -2.110 172.384 174.900 -0.678 0.000 1.421 162 G CA -0.889 43.763 45.100 -0.747 0.000 0.902 162 G HN 0.624 nan 8.290 nan 0.000 0.501 163 Q N -0.249 119.373 119.800 -0.295 0.000 2.633 163 Q HA 0.594 4.948 4.340 0.023 0.000 0.292 163 Q C -1.350 174.654 176.000 0.006 0.000 1.089 163 Q CA -0.883 54.858 55.803 -0.103 0.000 0.811 163 Q CB 2.595 31.322 28.738 -0.020 0.000 1.472 163 Q HN 0.630 nan 8.270 nan 0.000 0.464 164 D N -0.118 120.320 120.400 0.063 0.000 4.303 164 D HA -0.096 4.557 4.640 0.023 0.000 0.230 164 D C -0.509 175.853 176.300 0.103 0.000 1.172 164 D CA 0.422 54.474 54.000 0.086 0.000 1.001 164 D CB -0.620 40.216 40.800 0.059 0.000 0.641 164 D HN 0.541 nan 8.370 nan 0.000 0.296 165 S N 3.183 118.958 115.700 0.124 0.000 2.547 165 S HA -0.064 4.419 4.470 0.023 0.000 0.235 165 S C 1.526 176.259 174.600 0.223 0.000 0.980 165 S CA 0.561 58.864 58.200 0.172 0.000 0.941 165 S CB 0.234 63.506 63.200 0.119 0.000 0.763 165 S HN 0.458 nan 8.310 nan 0.000 0.532 166 R N 0.138 120.733 120.500 0.159 0.000 2.596 166 R HA 0.422 4.776 4.340 0.023 0.000 0.369 166 R C -0.421 175.944 176.300 0.107 0.000 1.042 166 R CA 0.036 56.234 56.100 0.165 0.000 1.120 166 R CB 0.248 30.668 30.300 0.199 0.000 1.353 166 R HN 0.317 nan 8.270 nan 0.000 0.564 167 L N 1.639 122.897 121.223 0.057 0.000 2.333 167 L HA 0.531 4.885 4.340 0.023 0.000 0.263 167 L C -2.367 174.484 176.870 -0.030 0.000 1.014 167 L CA -2.275 52.569 54.840 0.008 0.000 0.820 167 L CB 2.947 45.004 42.059 -0.003 0.000 1.352 167 L HN -0.210 nan 8.230 nan 0.000 0.421 168 P HA 0.119 nan 4.420 nan 0.000 0.275 168 P C -1.039 176.238 177.300 -0.038 0.000 1.227 168 P CA -0.256 62.802 63.100 -0.069 0.000 0.781 168 P CB 1.197 32.820 31.700 -0.128 0.000 0.906 169 S N 1.880 117.626 115.700 0.077 0.000 2.456 169 S HA 0.309 4.793 4.470 0.023 0.000 0.316 169 S C -0.356 174.271 174.600 0.045 0.000 1.089 169 S CA -0.567 57.671 58.200 0.064 0.000 1.101 169 S CB 0.738 64.154 63.200 0.360 0.000 0.995 169 S HN 0.357 nan 8.310 nan 0.000 0.468 170 E N 2.021 122.031 120.200 -0.316 0.000 2.227 170 E HA 0.616 4.980 4.350 0.023 0.000 0.268 170 E C -1.439 174.758 176.600 -0.672 0.000 0.907 170 E CA -0.625 55.635 56.400 -0.233 0.000 0.786 170 E CB 1.744 31.395 29.700 -0.082 0.000 1.191 170 E HN 0.410 nan 8.360 nan 0.000 0.411 171 F N 0.496 120.500 119.950 0.091 0.000 2.591 171 F HA 0.178 4.719 4.527 0.023 0.000 0.309 171 F C -0.249 175.574 175.800 0.037 0.000 1.098 171 F CA -1.098 56.918 58.000 0.028 0.000 0.937 171 F CB 1.713 40.697 39.000 -0.027 0.000 1.250 171 F HN 0.287 nan 8.300 nan 0.000 0.447 172 D N 3.015 123.540 120.400 0.208 0.000 2.317 172 D HA 0.245 4.899 4.640 0.023 0.000 0.252 172 D C 0.273 176.711 176.300 0.230 0.000 1.174 172 D CA 0.260 54.369 54.000 0.181 0.000 0.866 172 D CB 1.059 41.947 40.800 0.147 0.000 1.127 172 D HN 0.589 nan 8.370 nan 0.000 0.467 173 L N 2.803 124.169 121.223 0.238 0.000 2.667 173 L HA 0.045 4.399 4.340 0.023 0.000 0.232 173 L C 2.098 179.196 176.870 0.380 0.000 1.138 173 L CA -0.191 54.829 54.840 0.299 0.000 0.921 173 L CB 0.076 42.278 42.059 0.239 0.000 1.180 173 L HN 0.269 nan 8.230 nan 0.000 0.487 174 S N 1.389 117.260 115.700 0.285 0.000 2.380 174 S HA -0.259 4.224 4.470 0.023 0.000 0.229 174 S C 1.960 176.669 174.600 0.183 0.000 1.043 174 S CA 1.839 60.168 58.200 0.214 0.000 1.038 174 S CB -0.117 63.168 63.200 0.140 0.000 0.872 174 S HN 0.567 nan 8.310 nan 0.000 0.456 175 A N -0.825 122.099 122.820 0.172 0.000 2.275 175 A HA 0.428 4.761 4.320 0.023 0.000 0.212 175 A C 1.200 178.702 177.584 -0.136 0.000 1.201 175 A CA 0.023 52.045 52.037 -0.026 0.000 0.843 175 A CB -0.298 18.596 19.000 -0.178 0.000 0.873 175 A HN 0.461 nan 8.150 nan 0.000 0.492 176 F N -0.586 119.409 119.950 0.075 0.000 2.717 176 F HA 0.360 4.901 4.527 0.023 0.000 0.297 176 F C 0.690 176.528 175.800 0.064 0.000 1.113 176 F CA -0.141 57.902 58.000 0.071 0.000 1.319 176 F CB 0.098 39.145 39.000 0.080 0.000 1.097 176 F HN -0.020 nan 8.300 nan 0.000 0.595 177 L N 1.180 122.554 121.223 0.252 0.000 2.439 177 L HA 0.413 4.767 4.340 0.023 0.000 0.261 177 L C 0.417 177.329 176.870 0.070 0.000 1.153 177 L CA -0.512 54.414 54.840 0.144 0.000 0.808 177 L CB 0.763 42.915 42.059 0.155 0.000 1.126 177 L HN 0.050 nan 8.230 nan 0.000 0.460 178 R N 1.215 121.718 120.500 0.005 0.000 2.867 178 R HA 0.815 5.169 4.340 0.023 0.000 0.268 178 R C -1.095 175.180 176.300 -0.043 0.000 1.014 178 R CA -0.873 55.219 56.100 -0.013 0.000 0.946 178 R CB 1.576 31.858 30.300 -0.031 0.000 1.208 178 R HN 0.574 nan 8.270 nan 0.000 0.477 179 A N 1.106 123.907 122.820 -0.031 0.000 2.477 179 A HA 0.529 4.863 4.320 0.023 0.000 0.246 179 A C 0.940 178.474 177.584 -0.083 0.000 1.078 179 A CA 0.891 52.900 52.037 -0.047 0.000 0.770 179 A CB -0.479 18.507 19.000 -0.023 0.000 1.011 179 A HN 1.358 nan 8.150 nan 0.000 0.494 180 G N 1.542 110.272 108.800 -0.118 0.000 2.513 180 G HA2 -0.082 3.892 3.960 0.023 0.000 0.227 180 G HA3 -0.082 3.892 3.960 0.023 0.000 0.227 180 G C -0.472 174.304 174.900 -0.207 0.000 1.176 180 G CA -0.103 44.916 45.100 -0.135 0.000 0.967 180 G HN 0.858 nan 8.290 nan 0.000 0.587 181 E N 2.216 122.303 120.200 -0.188 0.000 2.289 181 E HA 0.519 4.882 4.350 0.023 0.000 0.278 181 E C 0.191 176.619 176.600 -0.288 0.000 1.032 181 E CA -0.192 56.064 56.400 -0.241 0.000 0.854 181 E CB 0.755 30.361 29.700 -0.157 0.000 1.046 181 E HN 0.477 nan 8.360 nan 0.000 0.409 182 N N 2.074 120.489 118.700 -0.475 0.000 2.284 182 N HA 0.411 5.165 4.740 0.023 0.000 0.289 182 N C -0.770 174.574 175.510 -0.278 0.000 1.179 182 N CA -0.646 52.141 53.050 -0.438 0.000 0.774 182 N CB 2.830 40.898 38.487 -0.699 0.000 1.548 182 N HN 0.226 nan 8.380 nan 0.000 0.473 183 R N 1.635 122.107 120.500 -0.046 0.000 2.532 183 R HA 0.482 4.836 4.340 0.023 0.000 0.297 183 R C -1.335 175.040 176.300 0.126 0.000 0.984 183 R CA -0.498 55.636 56.100 0.057 0.000 0.884 183 R CB 1.122 31.402 30.300 -0.034 0.000 1.182 183 R HN 0.485 nan 8.270 nan 0.000 0.442 184 L N 3.062 124.385 121.223 0.166 0.000 2.343 184 L HA 0.733 5.087 4.340 0.023 0.000 0.275 184 L C -0.255 176.650 176.870 0.058 0.000 1.056 184 L CA -0.837 54.086 54.840 0.138 0.000 0.804 184 L CB 1.907 44.029 42.059 0.105 0.000 1.203 184 L HN 0.775 nan 8.230 nan 0.000 0.440 185 A N 3.130 125.996 122.820 0.077 0.000 2.353 185 A HA 0.755 5.089 4.320 0.023 0.000 0.299 185 A C -1.100 176.717 177.584 0.389 0.000 1.089 185 A CA -0.449 51.517 52.037 -0.118 0.000 0.736 185 A CB 1.539 19.963 19.000 -0.960 0.000 1.195 185 A HN 0.371 nan 8.150 nan 0.000 0.447 186 V N 3.333 123.652 119.914 0.676 0.000 2.443 186 V HA 0.468 4.601 4.120 0.023 0.000 0.293 186 V C -0.147 176.482 176.094 0.892 0.000 1.021 186 V CA -0.291 62.439 62.300 0.716 0.000 0.848 186 V CB 1.560 33.627 31.823 0.408 0.000 0.998 186 V HN 0.965 nan 8.190 nan 0.000 0.424 187 M N 5.894 126.038 119.600 0.907 0.000 2.055 187 M HA 0.550 5.044 4.480 0.023 0.000 0.347 187 M C -1.428 175.134 176.300 0.437 0.000 1.123 187 M CA -0.395 55.271 55.300 0.610 0.000 1.035 187 M CB 1.107 34.111 32.600 0.673 0.000 1.484 187 M HN 0.483 nan 8.290 nan 0.000 0.428 188 V N 6.840 126.967 119.914 0.356 0.000 2.370 188 V HA 0.370 4.504 4.120 0.023 0.000 0.279 188 V C -0.044 176.213 176.094 0.271 0.000 1.029 188 V CA -0.629 61.881 62.300 0.350 0.000 0.870 188 V CB 1.358 33.478 31.823 0.495 0.000 0.984 188 V HN 0.791 nan 8.190 nan 0.000 0.451 189 L N 5.124 126.432 121.223 0.142 0.000 2.276 189 L HA 0.494 4.847 4.340 0.023 0.000 0.286 189 L C 1.537 178.414 176.870 0.010 0.000 1.061 189 L CA -0.354 54.495 54.840 0.016 0.000 0.807 189 L CB 1.225 43.198 42.059 -0.143 0.000 1.177 189 L HN 0.640 nan 8.230 nan 0.000 0.429 190 R N 2.914 123.372 120.500 -0.070 0.000 2.066 190 R HA -0.060 4.293 4.340 0.023 0.000 0.232 190 R C -0.323 175.632 176.300 -0.574 0.000 1.131 190 R CA 1.367 57.180 56.100 -0.479 0.000 0.955 190 R CB 0.191 30.054 30.300 -0.729 0.000 0.851 190 R HN 0.552 nan 8.270 nan 0.000 0.432 191 W N 0.077 121.440 121.300 0.105 0.000 2.627 191 W HA 0.436 5.110 4.660 0.022 0.000 0.339 191 W C -0.297 176.335 176.519 0.188 0.000 1.058 191 W CA -0.716 56.698 57.345 0.114 0.000 1.223 191 W CB 1.702 31.230 29.460 0.113 0.000 1.389 191 W HN 0.033 nan 8.180 nan 0.000 0.541 192 S N -1.111 114.869 115.700 0.466 0.000 2.672 192 S HA 0.215 4.698 4.470 0.023 0.000 0.271 192 S C 0.058 174.907 174.600 0.414 0.000 1.171 192 S CA -0.469 58.019 58.200 0.480 0.000 0.817 192 S CB 1.173 64.629 63.200 0.427 0.000 1.150 192 S HN 0.623 nan 8.310 nan 0.000 0.478 193 D N 0.334 120.990 120.400 0.427 0.000 2.263 193 D HA 0.077 4.730 4.640 0.023 0.000 0.208 193 D C 1.728 178.337 176.300 0.515 0.000 0.971 193 D CA 1.112 55.411 54.000 0.499 0.000 0.867 193 D CB -0.644 40.350 40.800 0.323 0.000 0.929 193 D HN 0.697 nan 8.370 nan 0.000 0.492 194 G N 0.100 109.123 108.800 0.371 0.000 2.471 194 G HA2 -0.225 3.749 3.960 0.023 0.000 0.219 194 G HA3 -0.225 3.749 3.960 0.023 0.000 0.219 194 G C 1.655 176.738 174.900 0.304 0.000 1.125 194 G CA 0.583 45.879 45.100 0.326 0.000 0.775 194 G HN 0.297 nan 8.290 nan 0.000 0.548 195 S N -0.035 115.828 115.700 0.270 0.000 2.419 195 S HA -0.113 4.371 4.470 0.023 0.000 0.233 195 S C 1.835 176.534 174.600 0.165 0.000 1.016 195 S CA 0.675 59.005 58.200 0.217 0.000 0.974 195 S CB -0.399 62.946 63.200 0.243 0.000 0.786 195 S HN 0.561 nan 8.310 nan 0.000 0.492 196 Y N 1.085 121.509 120.300 0.206 0.000 2.497 196 Y HA 0.114 4.678 4.550 0.023 0.000 0.292 196 Y C 1.551 177.553 175.900 0.170 0.000 1.137 196 Y CA 0.572 58.716 58.100 0.074 0.000 1.285 196 Y CB -0.188 38.142 38.460 -0.218 0.000 0.991 196 Y HN 0.202 nan 8.280 nan 0.000 0.556 197 L N -0.400 121.011 121.223 0.314 0.000 2.667 197 L HA 0.131 4.485 4.340 0.023 0.000 0.232 197 L C 0.135 177.142 176.870 0.228 0.000 1.138 197 L CA 0.416 55.400 54.840 0.240 0.000 0.921 197 L CB 0.114 42.315 42.059 0.236 0.000 1.180 197 L HN 0.129 nan 8.230 nan 0.000 0.487 198 E N -0.140 120.209 120.200 0.248 0.000 3.646 198 E HA 0.032 4.396 4.350 0.023 0.000 0.211 198 E C -0.425 176.285 176.600 0.184 0.000 1.034 198 E CA -0.072 56.458 56.400 0.217 0.000 1.341 198 E CB 0.480 30.299 29.700 0.199 0.000 1.202 198 E HN 0.045 nan 8.360 nan 0.000 0.447 199 D N 1.147 121.616 120.400 0.114 0.000 2.690 199 D HA 0.020 4.673 4.640 0.023 0.000 0.236 199 D C -0.174 176.127 176.300 0.002 0.000 1.218 199 D CA -0.046 53.914 54.000 -0.067 0.000 0.829 199 D CB 0.099 40.588 40.800 -0.518 0.000 1.009 199 D HN 0.055 nan 8.370 nan 0.000 0.482 200 Q N 0.447 120.340 119.800 0.156 0.000 2.395 200 Q HA 0.093 4.447 4.340 0.023 0.000 0.271 200 Q C -0.078 176.052 176.000 0.216 0.000 1.026 200 Q CA 0.150 56.117 55.803 0.273 0.000 0.900 200 Q CB 0.564 29.613 28.738 0.519 0.000 1.266 200 Q HN 0.070 nan 8.270 nan 0.000 0.430 201 D N 3.100 123.654 120.400 0.258 0.000 2.455 201 D HA 0.180 4.833 4.640 0.023 0.000 0.234 201 D C -0.763 175.682 176.300 0.241 0.000 1.224 201 D CA 0.127 54.240 54.000 0.189 0.000 0.999 201 D CB -0.429 40.474 40.800 0.172 0.000 1.072 201 D HN 0.502 nan 8.370 nan 0.000 0.514 202 M N 0.381 120.094 119.600 0.187 0.000 3.012 202 M HA 0.370 4.863 4.480 0.023 0.000 0.272 202 M C -1.339 175.048 176.300 0.144 0.000 1.187 202 M CA -1.141 54.203 55.300 0.074 0.000 0.813 202 M CB 0.984 33.566 32.600 -0.032 0.000 1.626 202 M HN -0.093 nan 8.290 nan 0.000 0.507 203 W N 1.993 123.389 121.300 0.159 0.000 2.193 203 W HA 0.317 4.991 4.660 0.023 0.000 0.338 203 W C 0.301 176.853 176.519 0.055 0.000 1.310 203 W CA 0.051 57.484 57.345 0.147 0.000 1.243 203 W CB 0.317 29.803 29.460 0.043 0.000 1.165 203 W HN 0.299 nan 8.180 nan 0.000 0.566 204 R N 4.616 125.308 120.500 0.320 0.000 2.204 204 R HA 0.436 4.789 4.340 0.023 0.000 0.341 204 R C -0.196 176.124 176.300 0.033 0.000 1.035 204 R CA -0.267 55.936 56.100 0.171 0.000 0.887 204 R CB 0.240 30.710 30.300 0.284 0.000 1.114 204 R HN 0.564 nan 8.270 nan 0.000 0.473 205 M N 0.291 119.797 119.600 -0.156 0.000 2.752 205 M HA 0.530 5.023 4.480 0.023 0.000 0.285 205 M C 0.006 175.968 176.300 -0.562 0.000 1.140 205 M CA -0.836 54.255 55.300 -0.349 0.000 0.767 205 M CB 2.196 34.587 32.600 -0.348 0.000 1.736 205 M HN 0.652 nan 8.290 nan 0.000 0.452 206 S N -1.310 113.929 115.700 -0.768 0.000 2.636 206 S HA 0.932 5.416 4.470 0.023 0.000 0.266 206 S C -0.615 173.493 174.600 -0.821 0.000 1.147 206 S CA -0.203 57.472 58.200 -0.875 0.000 0.815 206 S CB 1.581 64.097 63.200 -1.140 0.000 1.119 206 S HN 1.551 nan 8.310 nan 0.000 0.470 207 G N -0.111 108.422 108.800 -0.445 0.000 2.353 207 G HA2 0.163 4.136 3.960 0.023 0.000 0.615 207 G HA3 0.163 4.136 3.960 0.023 0.000 0.615 207 G C -1.301 173.580 174.900 -0.033 0.000 1.280 207 G CA -0.611 44.508 45.100 0.032 0.000 1.000 207 G HN 1.225 nan 8.290 nan 0.000 0.516 208 I N 2.031 122.407 120.570 -0.323 0.000 2.260 208 I HA 0.263 4.447 4.170 0.023 0.000 0.297 208 I C 1.284 177.233 176.117 -0.280 0.000 1.143 208 I CA -0.127 60.884 61.300 -0.481 0.000 1.271 208 I CB -0.265 37.190 38.000 -0.909 0.000 1.461 208 I HN 0.524 nan 8.210 nan 0.000 0.530 209 F N 4.438 124.223 119.950 -0.276 0.000 2.721 209 F HA 0.438 4.978 4.527 0.022 0.000 0.301 209 F C 0.803 176.511 175.800 -0.153 0.000 1.096 209 F CA -0.522 57.354 58.000 -0.206 0.000 1.308 209 F CB 0.118 39.004 39.000 -0.191 0.000 1.086 209 F HN 0.145 nan 8.300 nan 0.000 0.587 210 R N 0.665 120.676 120.500 -0.816 0.000 2.960 210 R HA 0.245 4.599 4.340 0.023 0.000 0.249 210 R C -0.627 175.445 176.300 -0.379 0.000 1.192 210 R CA -1.102 54.657 56.100 -0.568 0.000 1.035 210 R CB 0.716 30.605 30.300 -0.685 0.000 1.234 210 R HN -0.002 nan 8.270 nan 0.000 0.493 211 D N 0.727 120.952 120.400 -0.292 0.000 2.400 211 D HA 0.104 4.758 4.640 0.023 0.000 0.238 211 D C -0.424 175.729 176.300 -0.244 0.000 1.157 211 D CA 0.318 54.190 54.000 -0.213 0.000 0.889 211 D CB 0.785 41.506 40.800 -0.132 0.000 1.199 211 D HN -0.022 nan 8.370 nan 0.000 0.436 212 V N 0.948 120.733 119.914 -0.214 0.000 2.540 212 V HA 0.490 4.623 4.120 0.023 0.000 0.302 212 V C 0.129 176.103 176.094 -0.201 0.000 1.035 212 V CA -0.553 61.566 62.300 -0.301 0.000 0.873 212 V CB 1.560 33.225 31.823 -0.264 0.000 0.992 212 V HN 0.757 nan 8.190 nan 0.000 0.428 213 S N 4.789 120.351 115.700 -0.230 0.000 2.651 213 S HA 0.839 5.323 4.470 0.023 0.000 0.279 213 S C -1.242 173.307 174.600 -0.084 0.000 1.148 213 S CA -0.922 57.210 58.200 -0.113 0.000 0.837 213 S CB 1.966 65.135 63.200 -0.053 0.000 1.138 213 S HN 0.464 nan 8.310 nan 0.000 0.478 214 L N 1.525 122.764 121.223 0.027 0.000 2.341 214 L HA 0.660 5.013 4.340 0.023 0.000 0.278 214 L C -1.416 175.620 176.870 0.276 0.000 1.005 214 L CA -0.897 54.038 54.840 0.158 0.000 0.818 214 L CB 1.711 43.901 42.059 0.218 0.000 1.259 214 L HN 0.714 nan 8.230 nan 0.000 0.418 215 L N 3.545 124.904 121.223 0.228 0.000 2.356 215 L HA 0.449 4.803 4.340 0.023 0.000 0.277 215 L C -0.715 176.165 176.870 0.016 0.000 0.996 215 L CA -0.127 54.788 54.840 0.125 0.000 0.822 215 L CB 1.416 43.519 42.059 0.072 0.000 1.256 215 L HN 0.476 nan 8.230 nan 0.000 0.413 216 H N 5.482 124.355 119.070 -0.329 0.000 2.552 216 H HA 0.460 5.030 4.556 0.023 0.000 0.311 216 H C -1.198 173.923 175.328 -0.344 0.000 1.071 216 H CA -0.484 55.234 56.048 -0.550 0.000 1.307 216 H CB 0.987 29.929 29.762 -1.366 0.000 1.416 216 H HN 0.552 nan 8.280 nan 0.000 0.464 217 K N 5.509 125.509 120.400 -0.668 0.000 2.328 217 K HA 0.381 4.714 4.320 0.023 0.000 0.246 217 K C -2.674 173.650 176.600 -0.460 0.000 0.955 217 K CA -2.015 54.027 56.287 -0.409 0.000 0.817 217 K CB 2.156 34.489 32.500 -0.278 0.000 1.208 217 K HN 0.473 nan 8.250 nan 0.000 0.432 218 P HA 0.165 nan 4.420 nan 0.000 0.274 218 P C 0.539 177.753 177.300 -0.144 0.000 1.256 218 P CA -0.193 62.818 63.100 -0.150 0.000 0.795 218 P CB 0.468 32.130 31.700 -0.064 0.000 1.038 219 T N -1.472 113.029 114.554 -0.089 0.000 2.777 219 T HA -0.038 4.326 4.350 0.023 0.000 0.266 219 T C 0.599 175.257 174.700 -0.070 0.000 1.040 219 T CA 1.552 63.609 62.100 -0.072 0.000 1.141 219 T CB -0.575 68.271 68.868 -0.037 0.000 0.868 219 T HN 0.402 nan 8.240 nan 0.000 0.444 220 T N 3.754 118.275 114.554 -0.055 0.000 2.738 220 T HA 0.451 4.815 4.350 0.023 0.000 0.298 220 T C -0.248 174.412 174.700 -0.067 0.000 0.962 220 T CA -0.580 61.483 62.100 -0.060 0.000 0.972 220 T CB 0.549 69.401 68.868 -0.027 0.000 0.928 220 T HN 0.470 nan 8.240 nan 0.000 0.474 221 Q N 2.415 122.160 119.800 -0.093 0.000 2.565 221 Q HA 0.578 4.932 4.340 0.023 0.000 0.294 221 Q C -1.245 174.694 176.000 -0.102 0.000 1.005 221 Q CA -1.179 54.559 55.803 -0.109 0.000 0.771 221 Q CB 1.224 29.870 28.738 -0.154 0.000 1.486 221 Q HN 0.447 nan 8.270 nan 0.000 0.422 222 I N 2.652 123.136 120.570 -0.144 0.000 2.421 222 I HA 0.001 4.184 4.170 0.023 0.000 0.291 222 I C 0.783 176.798 176.117 -0.170 0.000 1.089 222 I CA 0.139 61.364 61.300 -0.124 0.000 1.354 222 I CB 0.896 38.777 38.000 -0.199 0.000 1.413 222 I HN 0.839 nan 8.210 nan 0.000 0.513 223 S N 2.631 118.346 115.700 0.024 0.000 2.503 223 S HA 0.196 4.680 4.470 0.023 0.000 0.215 223 S C 0.215 175.047 174.600 0.388 0.000 1.003 223 S CA -0.244 58.040 58.200 0.140 0.000 0.910 223 S CB 0.250 63.490 63.200 0.067 0.000 0.790 223 S HN 0.703 nan 8.310 nan 0.000 0.514 224 D N -0.297 120.334 120.400 0.385 0.000 2.720 224 D HA 0.511 5.165 4.640 0.023 0.000 0.239 224 D C -1.917 174.581 176.300 0.329 0.000 1.218 224 D CA -0.747 53.468 54.000 0.358 0.000 0.748 224 D CB 1.487 42.383 40.800 0.160 0.000 1.387 224 D HN 0.200 nan 8.370 nan 0.000 0.438 225 F N -0.584 119.441 119.950 0.124 0.000 2.628 225 F HA 0.631 5.172 4.527 0.023 0.000 0.309 225 F C -1.434 174.434 175.800 0.114 0.000 1.108 225 F CA -0.815 57.186 58.000 0.003 0.000 0.971 225 F CB 1.321 40.371 39.000 0.084 0.000 1.279 225 F HN 0.241 nan 8.300 nan 0.000 0.441 226 H N 1.693 120.833 119.070 0.117 0.000 2.589 226 H HA 0.738 5.307 4.556 0.023 0.000 0.351 226 H C -1.301 174.064 175.328 0.062 0.000 1.074 226 H CA -1.497 54.550 56.048 -0.003 0.000 1.203 226 H CB 2.644 32.391 29.762 -0.025 0.000 1.558 226 H HN 0.606 nan 8.280 nan 0.000 0.522 227 V N 2.261 122.264 119.914 0.150 0.000 2.459 227 V HA 0.679 4.813 4.120 0.023 0.000 0.295 227 V C -0.134 175.956 176.094 -0.007 0.000 1.029 227 V CA -0.552 61.793 62.300 0.075 0.000 0.874 227 V CB 1.240 33.103 31.823 0.067 0.000 0.985 227 V HN 0.932 nan 8.190 nan 0.000 0.438 228 A N 3.312 126.108 122.820 -0.039 0.000 2.423 228 A HA 0.983 5.317 4.320 0.023 0.000 0.304 228 A C -0.176 177.317 177.584 -0.153 0.000 1.104 228 A CA -0.521 51.474 52.037 -0.071 0.000 0.757 228 A CB 2.108 21.089 19.000 -0.032 0.000 1.313 228 A HN 0.937 nan 8.150 nan 0.000 0.423 229 T N -0.632 113.821 114.554 -0.169 0.000 2.937 229 T HA 0.682 5.046 4.350 0.023 0.000 0.297 229 T C -0.529 174.002 174.700 -0.282 0.000 0.991 229 T CA -0.810 61.108 62.100 -0.304 0.000 0.990 229 T CB 1.000 69.590 68.868 -0.463 0.000 0.991 229 T HN 1.019 nan 8.240 nan 0.000 0.440 230 R N 2.005 122.264 120.500 -0.402 0.000 2.711 230 R HA 0.845 5.199 4.340 0.023 0.000 0.284 230 R C -1.629 174.331 176.300 -0.565 0.000 0.968 230 R CA -0.897 55.042 56.100 -0.269 0.000 0.924 230 R CB 1.246 31.501 30.300 -0.075 0.000 1.162 230 R HN 0.474 nan 8.270 nan 0.000 0.465 231 F N 0.277 120.226 119.950 -0.002 0.000 2.654 231 F HA 0.367 4.907 4.527 0.021 0.000 0.334 231 F C 0.207 175.887 175.800 -0.200 0.000 1.078 231 F CA -1.034 56.915 58.000 -0.085 0.000 0.986 231 F CB 1.261 40.142 39.000 -0.199 0.000 1.362 231 F HN 0.703 nan 8.300 nan 0.000 0.498 232 N N -0.125 118.569 118.700 -0.010 0.000 2.405 232 N HA 0.080 4.833 4.740 0.023 0.000 0.269 232 N C 0.391 175.739 175.510 -0.269 0.000 1.249 232 N CA -0.224 52.769 53.050 -0.096 0.000 0.974 232 N CB 0.063 38.522 38.487 -0.048 0.000 1.204 232 N HN 0.645 nan 8.380 nan 0.000 0.565 233 D N -1.249 119.042 120.400 -0.182 0.000 2.182 233 D HA -0.238 4.416 4.640 0.023 0.000 0.201 233 D C 0.302 176.474 176.300 -0.214 0.000 0.986 233 D CA 1.498 55.376 54.000 -0.203 0.000 0.847 233 D CB -0.535 40.223 40.800 -0.069 0.000 0.942 233 D HN 0.749 nan 8.370 nan 0.000 0.467 234 D N -1.477 118.861 120.400 -0.103 0.000 2.462 234 D HA 0.017 4.671 4.640 0.023 0.000 0.221 234 D C 0.108 176.558 176.300 0.249 0.000 1.173 234 D CA -0.945 53.119 54.000 0.108 0.000 0.831 234 D CB -1.042 39.828 40.800 0.116 0.000 1.001 234 D HN 0.175 nan 8.370 nan 0.000 0.499 235 F N 0.295 120.305 119.950 0.100 0.000 3.034 235 F HA -0.291 4.249 4.527 0.022 0.000 0.286 235 F C 1.584 177.473 175.800 0.149 0.000 0.804 235 F CA 0.841 58.916 58.000 0.126 0.000 1.161 235 F CB -2.501 36.471 39.000 -0.047 0.000 1.317 235 F HN 0.209 nan 8.300 nan 0.000 0.453 236 S N -1.450 114.364 115.700 0.189 0.000 2.558 236 S HA 0.278 4.761 4.470 0.023 0.000 0.217 236 S C 0.684 175.344 174.600 0.099 0.000 0.975 236 S CA -0.048 58.234 58.200 0.136 0.000 0.912 236 S CB 0.455 63.709 63.200 0.089 0.000 0.776 236 S HN 0.447 nan 8.310 nan 0.000 0.526 237 R N 0.032 120.597 120.500 0.109 0.000 2.771 237 R HA 0.824 5.178 4.340 0.023 0.000 0.274 237 R C -1.300 175.026 176.300 0.043 0.000 0.987 237 R CA -0.368 55.759 56.100 0.045 0.000 0.908 237 R CB 2.286 32.588 30.300 0.004 0.000 1.213 237 R HN 0.260 nan 8.270 nan 0.000 0.468 238 A N 1.189 123.969 122.820 -0.067 0.000 2.594 238 A HA 0.720 5.054 4.320 0.023 0.000 0.291 238 A C -1.522 175.973 177.584 -0.148 0.000 1.105 238 A CA -0.600 51.310 52.037 -0.211 0.000 0.694 238 A CB 2.068 20.905 19.000 -0.272 0.000 1.291 238 A HN 0.321 nan 8.150 nan 0.000 0.410 239 V N 1.156 120.958 119.914 -0.188 0.000 2.483 239 V HA 0.460 4.593 4.120 0.023 0.000 0.297 239 V C -0.606 175.429 176.094 -0.098 0.000 1.027 239 V CA -0.354 61.883 62.300 -0.104 0.000 0.855 239 V CB 1.432 33.197 31.823 -0.096 0.000 0.995 239 V HN 0.808 nan 8.190 nan 0.000 0.424 240 L N 4.591 125.795 121.223 -0.031 0.000 2.264 240 L HA 0.603 4.957 4.340 0.023 0.000 0.289 240 L C -0.032 176.803 176.870 -0.059 0.000 1.044 240 L CA 0.054 54.852 54.840 -0.069 0.000 0.807 240 L CB 1.050 43.096 42.059 -0.022 0.000 1.192 240 L HN 0.704 nan 8.230 nan 0.000 0.425 241 E N 3.940 124.101 120.200 -0.065 0.000 2.158 241 E HA 0.626 4.990 4.350 0.023 0.000 0.271 241 E C -1.179 175.417 176.600 -0.006 0.000 0.911 241 E CA -0.694 55.686 56.400 -0.033 0.000 0.767 241 E CB 1.760 31.444 29.700 -0.027 0.000 1.120 241 E HN 0.713 nan 8.360 nan 0.000 0.405 242 A N 4.353 127.178 122.820 0.009 0.000 2.291 242 A HA 0.285 4.618 4.320 0.023 0.000 0.311 242 A C -0.579 177.023 177.584 0.030 0.000 1.224 242 A CA -0.599 51.467 52.037 0.049 0.000 0.821 242 A CB 0.872 19.901 19.000 0.049 0.000 1.172 242 A HN 0.684 nan 8.150 nan 0.000 0.494 243 E N 2.645 122.864 120.200 0.032 0.000 2.174 243 E HA 0.539 4.903 4.350 0.023 0.000 0.282 243 E C -1.341 175.230 176.600 -0.048 0.000 0.992 243 E CA -0.327 56.051 56.400 -0.036 0.000 0.803 243 E CB 1.140 30.790 29.700 -0.084 0.000 1.090 243 E HN 0.381 nan 8.360 nan 0.000 0.396 244 V N 4.646 124.552 119.914 -0.013 0.000 2.604 244 V HA 0.297 4.431 4.120 0.023 0.000 0.305 244 V C -0.522 175.640 176.094 0.114 0.000 1.043 244 V CA -0.811 61.525 62.300 0.059 0.000 0.888 244 V CB 1.817 33.670 31.823 0.049 0.000 0.995 244 V HN 0.735 nan 8.190 nan 0.000 0.429 245 Q N 4.078 123.945 119.800 0.111 0.000 2.345 245 Q HA 0.832 5.185 4.340 0.023 0.000 0.268 245 Q C -0.835 175.217 176.000 0.087 0.000 1.054 245 Q CA -0.853 55.005 55.803 0.091 0.000 0.835 245 Q CB 2.721 31.454 28.738 -0.009 0.000 1.339 245 Q HN 0.823 nan 8.270 nan 0.000 0.447 246 M N -0.921 118.645 119.600 -0.057 0.000 2.727 246 M HA 0.789 5.283 4.480 0.023 0.000 0.300 246 M C -1.285 174.920 176.300 -0.159 0.000 1.246 246 M CA -0.509 54.698 55.300 -0.155 0.000 0.835 246 M CB 1.715 34.047 32.600 -0.447 0.000 1.755 246 M HN 0.518 nan 8.290 nan 0.000 0.473 247 C N 0.567 119.783 119.300 -0.139 0.000 2.712 247 C HA 1.028 5.502 4.460 0.023 0.000 0.308 247 C C 0.412 175.327 174.990 -0.125 0.000 1.201 247 C CA 0.589 59.542 59.018 -0.107 0.000 1.554 247 C CB 1.087 28.792 27.740 -0.059 0.000 2.117 247 C HN 1.397 nan 8.230 nan 0.000 0.480 248 G N 2.011 110.746 108.800 -0.108 0.000 2.373 248 G HA2 0.113 4.087 3.960 0.023 0.000 0.634 248 G HA3 0.113 4.087 3.960 0.023 0.000 0.634 248 G C -1.164 173.667 174.900 -0.115 0.000 1.267 248 G CA -0.408 44.632 45.100 -0.100 0.000 1.008 248 G HN 0.966 nan 8.290 nan 0.000 0.497 249 E N -0.100 120.042 120.200 -0.097 0.000 2.194 249 E HA 0.527 4.891 4.350 0.023 0.000 0.284 249 E C 0.366 176.877 176.600 -0.148 0.000 1.035 249 E CA -0.687 55.653 56.400 -0.100 0.000 0.836 249 E CB 0.471 30.134 29.700 -0.061 0.000 1.070 249 E HN 0.521 nan 8.360 nan 0.000 0.401 250 L N 4.773 125.895 121.223 -0.167 0.000 2.426 250 L HA 0.305 4.659 4.340 0.023 0.000 0.271 250 L C 0.343 177.084 176.870 -0.215 0.000 1.169 250 L CA -0.160 54.554 54.840 -0.211 0.000 0.836 250 L CB 0.405 42.352 42.059 -0.187 0.000 1.112 250 L HN 0.542 nan 8.230 nan 0.000 0.465 251 R N 1.337 121.650 120.500 -0.313 0.000 2.725 251 R HA 0.225 4.579 4.340 0.023 0.000 0.277 251 R C -0.223 175.820 176.300 -0.427 0.000 0.987 251 R CA -0.862 54.951 56.100 -0.478 0.000 0.901 251 R CB 1.260 30.941 30.300 -1.032 0.000 1.207 251 R HN 0.477 nan 8.270 nan 0.000 0.463 252 D N 0.935 121.161 120.400 -0.289 0.000 2.309 252 D HA -0.129 4.525 4.640 0.023 0.000 0.212 252 D C 1.430 177.667 176.300 -0.105 0.000 0.968 252 D CA 1.380 55.299 54.000 -0.135 0.000 0.882 252 D CB 0.024 40.798 40.800 -0.043 0.000 0.918 252 D HN 0.585 nan 8.370 nan 0.000 0.503 253 Y N -0.206 120.106 120.300 0.020 0.000 2.546 253 Y HA 0.256 4.820 4.550 0.023 0.000 0.287 253 Y C 0.710 176.610 175.900 -0.000 0.000 1.158 253 Y CA -0.536 57.570 58.100 0.011 0.000 1.307 253 Y CB -1.009 37.459 38.460 0.013 0.000 1.036 253 Y HN -0.191 nan 8.280 nan 0.000 0.532 254 L N 2.485 123.660 121.223 -0.079 0.000 2.461 254 L HA 0.283 4.637 4.340 0.023 0.000 0.272 254 L C 0.155 177.001 176.870 -0.040 0.000 1.197 254 L CA 0.013 54.877 54.840 0.040 0.000 0.836 254 L CB 0.356 42.485 42.059 0.117 0.000 1.105 254 L HN 0.142 nan 8.230 nan 0.000 0.477 255 R N 1.620 121.983 120.500 -0.229 0.000 2.739 255 R HA 0.686 5.039 4.340 0.023 0.000 0.271 255 R C -1.518 174.419 176.300 -0.604 0.000 1.010 255 R CA -0.815 54.985 56.100 -0.500 0.000 0.897 255 R CB 2.126 31.953 30.300 -0.789 0.000 1.236 255 R HN 0.272 nan 8.270 nan 0.000 0.466 256 V N 0.866 120.481 119.914 -0.498 0.000 2.588 256 V HA 0.564 4.698 4.120 0.023 0.000 0.304 256 V C -0.397 175.642 176.094 -0.092 0.000 1.042 256 V CA -0.580 61.533 62.300 -0.311 0.000 0.877 256 V CB 2.402 33.971 31.823 -0.422 0.000 0.996 256 V HN 0.715 nan 8.190 nan 0.000 0.425 257 T N 3.915 118.520 114.554 0.085 0.000 2.812 257 T HA 0.618 4.982 4.350 0.023 0.000 0.282 257 T C -0.697 174.014 174.700 0.018 0.000 0.990 257 T CA -0.352 61.803 62.100 0.090 0.000 0.960 257 T CB 1.617 70.568 68.868 0.138 0.000 0.948 257 T HN 0.350 nan 8.240 nan 0.000 0.438 258 V N 3.969 123.877 119.914 -0.009 0.000 2.409 258 V HA 0.670 4.804 4.120 0.023 0.000 0.291 258 V C -0.044 176.047 176.094 -0.004 0.000 1.020 258 V CA -0.780 61.513 62.300 -0.010 0.000 0.848 258 V CB 1.686 33.496 31.823 -0.022 0.000 0.990 258 V HN 1.035 nan 8.190 nan 0.000 0.430 259 S N 5.316 121.037 115.700 0.035 0.000 2.536 259 S HA 0.865 5.349 4.470 0.023 0.000 0.298 259 S C -1.123 173.500 174.600 0.037 0.000 1.083 259 S CA -0.775 57.412 58.200 -0.022 0.000 0.995 259 S CB 2.177 65.352 63.200 -0.043 0.000 1.058 259 S HN 0.540 nan 8.310 nan 0.000 0.488 260 L N 2.417 123.577 121.223 -0.105 0.000 2.333 260 L HA 0.785 5.139 4.340 0.023 0.000 0.280 260 L C -1.931 174.926 176.870 -0.022 0.000 1.004 260 L CA -0.359 54.526 54.840 0.075 0.000 0.820 260 L CB 0.888 43.003 42.059 0.093 0.000 1.247 260 L HN 0.904 nan 8.230 nan 0.000 0.416 261 W N 3.563 124.972 121.300 0.181 0.000 2.761 261 W HA 0.583 5.257 4.660 0.023 0.000 0.340 261 W C -0.549 176.054 176.519 0.141 0.000 1.072 261 W CA -0.468 56.955 57.345 0.130 0.000 1.215 261 W CB 1.418 30.907 29.460 0.049 0.000 1.420 261 W HN 0.422 nan 8.180 nan 0.000 0.519 262 Q N 2.603 122.545 119.800 0.238 0.000 2.381 262 Q HA 0.474 4.828 4.340 0.023 0.000 0.263 262 Q C 0.765 176.779 176.000 0.022 0.000 1.030 262 Q CA 0.495 56.243 55.803 -0.092 0.000 0.772 262 Q CB 0.879 29.472 28.738 -0.243 0.000 1.232 262 Q HN 0.805 nan 8.270 nan 0.000 0.476 263 G N 4.458 113.265 108.800 0.012 0.000 2.622 263 G HA2 -0.430 3.544 3.960 0.023 0.000 0.307 263 G HA3 -0.430 3.544 3.960 0.023 0.000 0.307 263 G C 0.320 175.281 174.900 0.101 0.000 1.226 263 G CA 0.698 45.814 45.100 0.026 0.000 0.997 263 G HN 0.860 nan 8.290 nan 0.000 0.551 264 E N -0.225 120.033 120.200 0.097 0.000 2.437 264 E HA 0.389 4.753 4.350 0.023 0.000 0.189 264 E C 0.420 177.216 176.600 0.326 0.000 1.054 264 E CA 0.675 57.168 56.400 0.155 0.000 0.874 264 E CB 0.124 29.864 29.700 0.067 0.000 1.011 264 E HN 0.364 nan 8.360 nan 0.000 0.474 265 T N 1.098 115.825 114.554 0.290 0.000 2.824 265 T HA 0.143 4.507 4.350 0.023 0.000 0.280 265 T C -0.788 173.961 174.700 0.082 0.000 0.995 265 T CA -0.635 61.579 62.100 0.190 0.000 1.009 265 T CB 1.760 70.670 68.868 0.071 0.000 0.955 265 T HN 0.164 nan 8.240 nan 0.000 0.452 266 Q N 2.303 121.884 119.800 -0.365 0.000 2.294 266 Q HA 0.345 4.698 4.340 0.023 0.000 0.257 266 Q C 0.903 176.671 176.000 -0.386 0.000 0.955 266 Q CA -0.497 54.764 55.803 -0.903 0.000 0.936 266 Q CB 0.756 28.769 28.738 -1.207 0.000 1.188 266 Q HN 0.665 nan 8.270 nan 0.000 0.420 267 V N 0.932 120.700 119.914 -0.244 0.000 3.471 267 V HA 0.616 4.749 4.120 0.023 0.000 0.258 267 V C 0.248 176.267 176.094 -0.126 0.000 1.192 267 V CA 0.685 62.922 62.300 -0.105 0.000 1.116 267 V CB -0.091 31.754 31.823 0.037 0.000 0.792 267 V HN 0.659 nan 8.190 nan 0.000 0.459 268 A N -0.785 121.923 122.820 -0.186 0.000 2.597 268 A HA 0.786 5.120 4.320 0.023 0.000 0.292 268 A C -0.699 176.782 177.584 -0.171 0.000 1.057 268 A CA 0.273 52.223 52.037 -0.144 0.000 0.674 268 A CB 1.326 20.275 19.000 -0.084 0.000 1.278 268 A HN 0.781 nan 8.150 nan 0.000 0.416 269 S N -0.734 114.891 115.700 -0.125 0.000 2.547 269 S HA 0.829 5.312 4.470 0.023 0.000 0.270 269 S C -0.553 174.007 174.600 -0.066 0.000 1.150 269 S CA 0.234 58.370 58.200 -0.106 0.000 0.850 269 S CB 1.695 64.816 63.200 -0.132 0.000 1.118 269 S HN 2.375 nan 8.310 nan 0.000 0.461 270 G N 1.471 110.243 108.800 -0.047 0.000 2.719 270 G HA2 0.646 4.620 3.960 0.023 0.000 0.298 270 G HA3 0.646 4.620 3.960 0.023 0.000 0.298 270 G C -1.423 173.462 174.900 -0.026 0.000 1.411 270 G CA -0.412 44.665 45.100 -0.038 0.000 0.991 270 G HN 0.715 nan 8.290 nan 0.000 0.509 271 T N -0.119 114.424 114.554 -0.020 0.000 2.893 271 T HA 0.849 5.213 4.350 0.023 0.000 0.293 271 T C -0.336 174.337 174.700 -0.046 0.000 1.027 271 T CA -0.005 62.092 62.100 -0.004 0.000 0.988 271 T CB 1.807 70.707 68.868 0.055 0.000 1.043 271 T HN 1.542 nan 8.240 nan 0.000 0.461 272 A N 3.522 126.281 122.820 -0.103 0.000 2.612 272 A HA 0.923 5.257 4.320 0.023 0.000 0.293 272 A C -3.110 174.343 177.584 -0.217 0.000 1.075 272 A CA -1.562 50.397 52.037 -0.130 0.000 0.680 272 A CB 1.266 20.187 19.000 -0.131 0.000 1.279 272 A HN 0.528 nan 8.150 nan 0.000 0.411 273 P HA 0.537 nan 4.420 nan 0.000 0.278 273 P C -0.620 176.551 177.300 -0.215 0.000 1.266 273 P CA -0.285 62.716 63.100 -0.165 0.000 0.807 273 P CB 0.364 32.033 31.700 -0.051 0.000 1.094 274 F N -0.207 119.705 119.950 -0.063 0.000 2.450 274 F HA 0.484 5.024 4.527 0.022 0.000 0.339 274 F C 1.422 177.206 175.800 -0.028 0.000 1.146 274 F CA 1.389 59.362 58.000 -0.045 0.000 1.267 274 F CB 0.380 39.349 39.000 -0.053 0.000 1.178 274 F HN 0.560 nan 8.300 nan 0.000 0.585 275 G N 1.567 110.493 108.800 0.210 0.000 2.789 275 G HA2 0.348 4.322 3.960 0.023 0.000 0.353 275 G HA3 0.348 4.322 3.960 0.023 0.000 0.353 275 G C -0.505 174.451 174.900 0.093 0.000 1.220 275 G CA -0.732 44.443 45.100 0.125 0.000 1.204 275 G HN 1.035 nan 8.290 nan 0.000 0.574 276 G N 0.688 109.563 108.800 0.124 0.000 2.588 276 G HA2 0.698 4.672 3.960 0.023 0.000 0.281 276 G HA3 0.698 4.672 3.960 0.023 0.000 0.281 276 G C 0.461 175.406 174.900 0.076 0.000 1.236 276 G CA 0.030 45.194 45.100 0.106 0.000 0.969 276 G HN 1.097 nan 8.290 nan 0.000 0.504 277 E N -0.697 119.541 120.200 0.064 0.000 2.392 277 E HA 0.106 4.470 4.350 0.023 0.000 0.256 277 E C -0.124 176.502 176.600 0.043 0.000 1.145 277 E CA -0.654 55.772 56.400 0.043 0.000 0.929 277 E CB 0.653 30.374 29.700 0.035 0.000 0.998 277 E HN 0.108 nan 8.360 nan 0.000 0.442 278 I N 2.339 122.921 120.570 0.022 0.000 2.683 278 I HA -0.129 4.054 4.170 0.023 0.000 0.286 278 I C 1.218 177.344 176.117 0.016 0.000 1.175 278 I CA 0.167 61.471 61.300 0.007 0.000 1.429 278 I CB 0.110 38.109 38.000 -0.001 0.000 1.371 278 I HN 0.681 nan 8.210 nan 0.000 0.569 279 I N 4.030 124.603 120.570 0.004 0.000 3.172 279 I HA 0.032 4.216 4.170 0.023 0.000 0.278 279 I C 0.595 176.713 176.117 0.002 0.000 1.174 279 I CA 0.899 62.212 61.300 0.021 0.000 1.445 279 I CB -0.416 37.601 38.000 0.028 0.000 1.175 279 I HN 0.639 nan 8.210 nan 0.000 0.447 280 D N -1.475 118.911 120.400 -0.023 0.000 2.946 280 D HA 0.109 4.762 4.640 0.023 0.000 0.337 280 D C 0.365 176.649 176.300 -0.027 0.000 1.332 280 D CA -0.441 53.547 54.000 -0.020 0.000 0.935 280 D CB 0.546 41.334 40.800 -0.020 0.000 1.440 280 D HN -0.288 nan 8.370 nan 0.000 0.540 281 E N -0.996 119.190 120.200 -0.023 0.000 2.267 281 E HA -0.052 4.312 4.350 0.023 0.000 0.197 281 E C 1.420 178.001 176.600 -0.031 0.000 0.998 281 E CA 0.987 57.374 56.400 -0.022 0.000 0.830 281 E CB -0.013 29.677 29.700 -0.017 0.000 0.751 281 E HN 0.208 nan 8.360 nan 0.000 0.491 282 R N -0.380 120.093 120.500 -0.045 0.000 2.310 282 R HA 0.253 4.607 4.340 0.023 0.000 0.202 282 R C 0.905 177.163 176.300 -0.071 0.000 0.933 282 R CA 0.760 56.826 56.100 -0.057 0.000 1.054 282 R CB 0.458 30.718 30.300 -0.067 0.000 0.985 282 R HN 0.223 nan 8.270 nan 0.000 0.489 283 G N -0.769 107.990 108.800 -0.068 0.000 2.358 283 G HA2 -0.066 3.908 3.960 0.023 0.000 0.198 283 G HA3 -0.066 3.908 3.960 0.023 0.000 0.198 283 G C -0.293 174.550 174.900 -0.094 0.000 1.220 283 G CA -0.611 44.448 45.100 -0.069 0.000 1.187 283 G HN 0.488 nan 8.290 nan 0.000 0.544 284 G N -2.027 106.709 108.800 -0.106 0.000 3.022 284 G HA2 0.645 4.618 3.960 0.023 0.000 0.284 284 G HA3 0.645 4.618 3.960 0.023 0.000 0.284 284 G C -1.527 173.251 174.900 -0.203 0.000 1.375 284 G CA -0.712 44.318 45.100 -0.117 0.000 0.902 284 G HN 0.795 nan 8.290 nan 0.000 0.538 285 Y N 1.179 121.489 120.300 0.017 0.000 2.539 285 Y HA 0.393 4.956 4.550 0.022 0.000 0.352 285 Y C 1.534 177.451 175.900 0.029 0.000 1.004 285 Y CA 0.280 58.392 58.100 0.019 0.000 1.278 285 Y CB 1.538 40.015 38.460 0.028 0.000 1.136 285 Y HN 0.550 nan 8.280 nan 0.000 0.528 286 A N 1.945 124.824 122.820 0.098 0.000 2.066 286 A HA -0.149 4.185 4.320 0.023 0.000 0.218 286 A C 1.447 179.074 177.584 0.072 0.000 1.157 286 A CA 1.403 53.481 52.037 0.068 0.000 0.670 286 A CB -0.267 18.735 19.000 0.004 0.000 0.804 286 A HN 0.795 nan 8.150 nan 0.000 0.453 287 D N -0.750 119.687 120.400 0.061 0.000 2.358 287 D HA 0.136 4.790 4.640 0.023 0.000 0.224 287 D C 0.445 176.764 176.300 0.032 0.000 1.123 287 D CA -0.056 53.888 54.000 -0.094 0.000 0.833 287 D CB -0.062 40.682 40.800 -0.092 0.000 0.946 287 D HN 0.448 nan 8.370 nan 0.000 0.505 288 R N -1.100 119.572 120.500 0.287 0.000 2.764 288 R HA 0.749 5.103 4.340 0.023 0.000 0.270 288 R C -1.675 174.813 176.300 0.314 0.000 1.014 288 R CA -1.152 55.140 56.100 0.320 0.000 0.904 288 R CB 2.784 33.141 30.300 0.094 0.000 1.236 288 R HN -0.032 nan 8.270 nan 0.000 0.466 289 V N 0.135 120.128 119.914 0.131 0.000 3.077 289 V HA 0.533 4.667 4.120 0.023 0.000 0.299 289 V C -1.626 174.444 176.094 -0.040 0.000 1.276 289 V CA -0.278 62.014 62.300 -0.013 0.000 0.993 289 V CB 2.812 34.512 31.823 -0.205 0.000 1.076 289 V HN 0.830 nan 8.190 nan 0.000 0.434 290 T N 7.011 121.544 114.554 -0.036 0.000 2.812 290 T HA 0.595 4.959 4.350 0.023 0.000 0.282 290 T C -0.975 173.700 174.700 -0.042 0.000 0.990 290 T CA -0.408 61.674 62.100 -0.031 0.000 0.960 290 T CB 1.103 69.964 68.868 -0.012 0.000 0.948 290 T HN 0.472 nan 8.240 nan 0.000 0.438 291 L N 3.488 124.685 121.223 -0.043 0.000 2.325 291 L HA 0.584 4.937 4.340 0.023 0.000 0.279 291 L C 0.477 177.328 176.870 -0.032 0.000 1.054 291 L CA -0.424 54.389 54.840 -0.044 0.000 0.804 291 L CB 1.316 43.347 42.059 -0.047 0.000 1.200 291 L HN 0.529 nan 8.230 nan 0.000 0.436 292 R N 3.838 124.318 120.500 -0.033 0.000 2.480 292 R HA 0.720 5.074 4.340 0.023 0.000 0.306 292 R C -1.178 175.102 176.300 -0.034 0.000 0.958 292 R CA -0.656 55.424 56.100 -0.032 0.000 0.861 292 R CB 2.115 32.396 30.300 -0.031 0.000 1.171 292 R HN 0.477 nan 8.270 nan 0.000 0.445 293 L N 2.820 124.025 121.223 -0.031 0.000 2.362 293 L HA 0.476 4.830 4.340 0.023 0.000 0.275 293 L C -0.478 176.372 176.870 -0.033 0.000 0.998 293 L CA -1.239 53.582 54.840 -0.032 0.000 0.820 293 L CB 1.857 43.902 42.059 -0.023 0.000 1.270 293 L HN 0.459 nan 8.230 nan 0.000 0.415 294 N N 1.950 120.624 118.700 -0.043 0.000 2.518 294 N HA 0.500 5.254 4.740 0.023 0.000 0.283 294 N C -0.799 174.671 175.510 -0.068 0.000 1.119 294 N CA -0.304 52.714 53.050 -0.052 0.000 0.983 294 N CB 2.472 40.930 38.487 -0.048 0.000 1.139 294 N HN 0.210 nan 8.380 nan 0.000 0.465 295 V N 1.767 121.622 119.914 -0.097 0.000 2.482 295 V HA 0.228 4.362 4.120 0.023 0.000 0.295 295 V C -0.255 175.754 176.094 -0.142 0.000 1.026 295 V CA -0.863 61.340 62.300 -0.162 0.000 0.856 295 V CB 1.823 33.438 31.823 -0.346 0.000 1.001 295 V HN 0.468 nan 8.190 nan 0.000 0.424 296 E N 3.776 123.920 120.200 -0.093 0.000 2.266 296 E HA 0.352 4.716 4.350 0.023 0.000 0.277 296 E C 0.048 176.622 176.600 -0.044 0.000 1.018 296 E CA -0.404 55.965 56.400 -0.052 0.000 0.840 296 E CB 0.779 30.462 29.700 -0.029 0.000 1.082 296 E HN 0.677 nan 8.360 nan 0.000 0.395 297 N N 1.171 119.867 118.700 -0.007 0.000 2.714 297 N HA -0.111 4.643 4.740 0.023 0.000 0.253 297 N C -2.319 173.190 175.510 -0.002 0.000 1.024 297 N CA 0.368 53.429 53.050 0.019 0.000 0.726 297 N CB -1.285 37.217 38.487 0.025 0.000 0.908 297 N HN 0.365 nan 8.380 nan 0.000 0.542 298 P HA 0.067 nan 4.420 nan 0.000 0.272 298 P C 0.078 177.409 177.300 0.051 0.000 1.223 298 P CA 0.211 63.209 63.100 -0.170 0.000 0.784 298 P CB 0.926 32.321 31.700 -0.508 0.000 0.923 299 K N 2.258 122.782 120.400 0.206 0.000 2.316 299 K HA 0.299 4.633 4.320 0.023 0.000 0.289 299 K C 0.193 176.966 176.600 0.289 0.000 1.070 299 K CA -0.380 56.035 56.287 0.214 0.000 0.928 299 K CB 0.248 32.860 32.500 0.187 0.000 1.039 299 K HN 0.425 nan 8.250 nan 0.000 0.480 300 L N 2.375 123.699 121.223 0.167 0.000 2.418 300 L HA 0.314 4.668 4.340 0.023 0.000 0.265 300 L C -0.036 176.928 176.870 0.157 0.000 1.143 300 L CA -0.836 54.105 54.840 0.169 0.000 0.809 300 L CB 0.446 42.457 42.059 -0.080 0.000 1.124 300 L HN 0.600 nan 8.230 nan 0.000 0.456 301 W N 2.704 124.037 121.300 0.055 0.000 2.417 301 W HA 0.503 5.176 4.660 0.022 0.000 0.317 301 W C -0.112 176.355 176.519 -0.086 0.000 1.121 301 W CA 0.052 57.413 57.345 0.027 0.000 1.208 301 W CB 1.351 30.879 29.460 0.113 0.000 1.253 301 W HN 0.611 nan 8.180 nan 0.000 0.533 302 S N 2.782 117.900 115.700 -0.970 0.000 2.643 302 S HA 0.637 5.121 4.470 0.023 0.000 0.270 302 S C 0.035 173.834 174.600 -1.336 0.000 1.166 302 S CA -0.372 57.293 58.200 -0.892 0.000 0.815 302 S CB 1.091 64.027 63.200 -0.440 0.000 1.139 302 S HN 0.983 nan 8.310 nan 0.000 0.472 303 A N 0.154 122.363 122.820 -1.018 0.000 2.119 303 A HA 0.115 4.449 4.320 0.023 0.000 0.217 303 A C 1.690 178.964 177.584 -0.516 0.000 1.153 303 A CA 1.175 52.637 52.037 -0.958 0.000 0.692 303 A CB -0.837 17.490 19.000 -1.122 0.000 0.799 303 A HN 0.834 nan 8.150 nan 0.000 0.458 304 E N -0.789 119.236 120.200 -0.290 0.000 2.076 304 E HA 0.094 4.458 4.350 0.023 0.000 0.190 304 E C -0.288 176.189 176.600 -0.205 0.000 0.979 304 E CA 0.659 56.964 56.400 -0.158 0.000 0.807 304 E CB 0.090 29.842 29.700 0.086 0.000 0.761 304 E HN 0.583 nan 8.360 nan 0.000 0.454 305 I N 1.770 122.186 120.570 -0.257 0.000 2.595 305 I HA 0.152 4.336 4.170 0.023 0.000 0.276 305 I C -2.545 173.367 176.117 -0.342 0.000 1.109 305 I CA -1.817 59.355 61.300 -0.214 0.000 1.084 305 I CB 2.286 40.212 38.000 -0.125 0.000 1.206 305 I HN -0.219 nan 8.210 nan 0.000 0.486 306 P HA 0.109 nan 4.420 nan 0.000 0.220 306 P C -0.604 176.721 177.300 0.042 0.000 1.806 306 P CA -0.300 62.529 63.100 -0.452 0.000 0.976 306 P CB -0.248 31.326 31.700 -0.209 0.000 1.952 307 N N 1.893 120.634 118.700 0.069 0.000 2.412 307 N HA 0.078 4.832 4.740 0.023 0.000 0.258 307 N C 0.104 175.860 175.510 0.410 0.000 1.236 307 N CA 0.540 53.704 53.050 0.189 0.000 0.882 307 N CB 0.799 39.390 38.487 0.175 0.000 1.066 307 N HN 0.313 nan 8.380 nan 0.000 0.465 308 L N 2.219 123.605 121.223 0.271 0.000 2.370 308 L HA 0.476 4.830 4.340 0.023 0.000 0.266 308 L C -0.797 176.198 176.870 0.208 0.000 1.002 308 L CA -0.856 54.176 54.840 0.320 0.000 0.818 308 L CB 1.260 43.461 42.059 0.238 0.000 1.325 308 L HN 0.392 nan 8.230 nan 0.000 0.418 309 Y N 0.347 120.797 120.300 0.251 0.000 2.650 309 Y HA 0.656 5.220 4.550 0.024 0.000 0.331 309 Y C -0.187 175.834 175.900 0.203 0.000 1.082 309 Y CA -0.882 57.370 58.100 0.253 0.000 1.171 309 Y CB 1.677 40.355 38.460 0.363 0.000 1.326 309 Y HN 0.391 nan 8.280 nan 0.000 0.513 310 R N 0.919 121.664 120.500 0.408 0.000 2.480 310 R HA 0.805 5.159 4.340 0.023 0.000 0.306 310 R C -1.683 174.811 176.300 0.323 0.000 0.958 310 R CA -0.508 55.757 56.100 0.275 0.000 0.861 310 R CB 1.151 31.538 30.300 0.144 0.000 1.171 310 R HN 0.738 nan 8.270 nan 0.000 0.445 311 A N 3.907 126.858 122.820 0.219 0.000 2.276 311 A HA 0.604 4.938 4.320 0.023 0.000 0.316 311 A C -1.015 176.634 177.584 0.109 0.000 1.229 311 A CA -0.638 51.509 52.037 0.182 0.000 0.851 311 A CB 1.236 20.311 19.000 0.125 0.000 1.165 311 A HN 0.487 nan 8.150 nan 0.000 0.513 312 V N 3.556 123.545 119.914 0.126 0.000 2.417 312 V HA 0.360 4.494 4.120 0.023 0.000 0.291 312 V C -0.325 175.747 176.094 -0.036 0.000 1.024 312 V CA -0.487 61.826 62.300 0.021 0.000 0.861 312 V CB 1.599 33.462 31.823 0.066 0.000 0.985 312 V HN 0.614 nan 8.190 nan 0.000 0.436 313 V N 4.992 124.811 119.914 -0.159 0.000 2.328 313 V HA 0.412 4.546 4.120 0.023 0.000 0.278 313 V C 0.017 176.050 176.094 -0.102 0.000 1.021 313 V CA -0.529 61.655 62.300 -0.193 0.000 0.838 313 V CB 1.143 32.692 31.823 -0.456 0.000 0.999 313 V HN 0.907 nan 8.190 nan 0.000 0.447 314 E N 3.665 123.857 120.200 -0.013 0.000 2.179 314 E HA 0.535 4.899 4.350 0.023 0.000 0.275 314 E C -1.115 175.562 176.600 0.128 0.000 0.945 314 E CA -0.898 55.539 56.400 0.061 0.000 0.792 314 E CB 2.548 32.303 29.700 0.091 0.000 1.125 314 E HN 0.439 nan 8.360 nan 0.000 0.397 315 L N 4.364 125.651 121.223 0.107 0.000 2.296 315 L HA 0.425 4.778 4.340 0.023 0.000 0.286 315 L C -0.928 176.046 176.870 0.173 0.000 1.023 315 L CA 0.097 54.995 54.840 0.096 0.000 0.812 315 L CB 0.267 42.371 42.059 0.076 0.000 1.223 315 L HN 0.719 nan 8.230 nan 0.000 0.421 316 H N 0.084 119.192 119.070 0.063 0.000 2.905 316 H HA 0.756 5.326 4.556 0.023 0.000 0.280 316 H C -0.922 174.473 175.328 0.112 0.000 1.445 316 H CA -0.496 55.592 56.048 0.067 0.000 1.165 316 H CB 0.713 30.495 29.762 0.032 0.000 1.857 316 H HN 0.491 nan 8.280 nan 0.000 0.567 317 T N -2.096 112.605 114.554 0.245 0.000 2.934 317 T HA 0.572 4.935 4.350 0.023 0.000 0.283 317 T C 1.396 176.249 174.700 0.255 0.000 1.005 317 T CA -0.385 61.838 62.100 0.205 0.000 1.041 317 T CB 1.613 70.534 68.868 0.089 0.000 1.042 317 T HN 0.958 nan 8.240 nan 0.000 0.505 318 A N 1.601 124.527 122.820 0.176 0.000 1.948 318 A HA -0.131 4.202 4.320 0.023 0.000 0.220 318 A C 1.831 179.497 177.584 0.136 0.000 1.177 318 A CA 1.954 54.081 52.037 0.150 0.000 0.636 318 A CB -1.107 17.965 19.000 0.121 0.000 0.815 318 A HN 0.995 nan 8.150 nan 0.000 0.449 319 D N -1.986 118.468 120.400 0.090 0.000 2.352 319 D HA 0.274 4.928 4.640 0.023 0.000 0.232 319 D C 1.071 177.401 176.300 0.050 0.000 1.055 319 D CA 0.916 54.944 54.000 0.047 0.000 0.891 319 D CB -0.706 40.096 40.800 0.002 0.000 0.897 319 D HN 0.894 nan 8.370 nan 0.000 0.529 320 G N -0.855 108.008 108.800 0.105 0.000 2.141 320 G HA2 -0.222 3.751 3.960 0.023 0.000 0.231 320 G HA3 -0.222 3.751 3.960 0.023 0.000 0.231 320 G C 0.153 175.067 174.900 0.024 0.000 0.984 320 G CA 0.165 45.284 45.100 0.031 0.000 0.660 320 G HN 0.437 nan 8.290 nan 0.000 0.525 321 T N 1.314 115.908 114.554 0.067 0.000 2.771 321 T HA 0.542 4.906 4.350 0.023 0.000 0.291 321 T C 0.263 175.018 174.700 0.092 0.000 0.954 321 T CA -0.362 61.765 62.100 0.046 0.000 1.045 321 T CB 2.025 70.906 68.868 0.021 0.000 0.917 321 T HN 0.538 nan 8.240 nan 0.000 0.484 322 L N 4.557 125.816 121.223 0.060 0.000 2.410 322 L HA 0.345 4.699 4.340 0.023 0.000 0.273 322 L C 0.650 177.569 176.870 0.081 0.000 1.152 322 L CA 0.429 55.317 54.840 0.080 0.000 0.855 322 L CB 0.039 42.120 42.059 0.037 0.000 1.129 322 L HN 0.714 nan 8.230 nan 0.000 0.463 323 I N 2.411 123.041 120.570 0.100 0.000 2.681 323 I HA 0.157 4.341 4.170 0.023 0.000 0.247 323 I C 0.176 176.320 176.117 0.045 0.000 1.091 323 I CA 0.367 61.708 61.300 0.070 0.000 1.442 323 I CB 0.200 38.247 38.000 0.078 0.000 1.219 323 I HN 0.801 nan 8.210 nan 0.000 0.451 324 E N 0.197 120.424 120.200 0.044 0.000 2.416 324 E HA 0.727 5.091 4.350 0.023 0.000 0.280 324 E C -1.459 175.163 176.600 0.038 0.000 1.055 324 E CA -1.100 55.318 56.400 0.028 0.000 0.825 324 E CB 1.868 31.551 29.700 -0.029 0.000 1.312 324 E HN 0.020 nan 8.360 nan 0.000 0.452 325 A N 1.229 124.098 122.820 0.080 0.000 2.414 325 A HA 0.715 5.049 4.320 0.023 0.000 0.306 325 A C -1.011 176.691 177.584 0.198 0.000 1.054 325 A CA -0.726 51.364 52.037 0.088 0.000 0.724 325 A CB 1.658 20.699 19.000 0.068 0.000 1.267 325 A HN 0.511 nan 8.150 nan 0.000 0.418 326 E N -0.378 119.864 120.200 0.070 0.000 2.378 326 E HA 0.864 5.227 4.350 0.023 0.000 0.265 326 E C -0.489 176.135 176.600 0.040 0.000 0.932 326 E CA -0.415 56.068 56.400 0.138 0.000 0.795 326 E CB 2.375 32.006 29.700 -0.114 0.000 1.296 326 E HN 1.290 nan 8.360 nan 0.000 0.438 327 A N -0.220 122.734 122.820 0.222 0.000 2.544 327 A HA 0.698 5.032 4.320 0.023 0.000 0.291 327 A C -1.239 176.535 177.584 0.316 0.000 1.055 327 A CA -0.315 51.784 52.037 0.105 0.000 0.651 327 A CB 0.534 19.547 19.000 0.021 0.000 1.296 327 A HN 0.891 nan 8.150 nan 0.000 0.431 328 C N -0.806 118.642 119.300 0.246 0.000 3.321 328 C HA 0.818 5.291 4.460 0.023 0.000 0.329 328 C C -1.305 173.781 174.990 0.161 0.000 1.394 328 C CA -0.944 58.222 59.018 0.247 0.000 1.291 328 C CB 1.025 28.924 27.740 0.266 0.000 1.606 328 C HN 0.826 nan 8.230 nan 0.000 0.463 329 D N 0.874 121.347 120.400 0.122 0.000 2.302 329 D HA 0.551 5.205 4.640 0.023 0.000 0.248 329 D C -0.389 175.957 176.300 0.076 0.000 1.094 329 D CA 0.166 54.236 54.000 0.117 0.000 0.897 329 D CB 1.768 42.637 40.800 0.116 0.000 1.200 329 D HN 0.551 nan 8.370 nan 0.000 0.429 330 V N 1.054 121.038 119.914 0.117 0.000 2.487 330 V HA 0.637 4.771 4.120 0.023 0.000 0.298 330 V C 0.562 176.714 176.094 0.098 0.000 1.028 330 V CA -0.901 61.417 62.300 0.029 0.000 0.860 330 V CB 1.998 33.813 31.823 -0.012 0.000 0.991 330 V HN 0.603 nan 8.190 nan 0.000 0.427 331 G N 3.225 111.984 108.800 -0.069 0.000 2.468 331 G HA2 0.585 4.558 3.960 0.023 0.000 0.315 331 G HA3 0.585 4.558 3.960 0.023 0.000 0.315 331 G C -0.867 174.112 174.900 0.131 0.000 1.203 331 G CA -0.382 44.750 45.100 0.054 0.000 0.962 331 G HN 0.447 nan 8.290 nan 0.000 0.476 332 F N 4.102 124.235 119.950 0.306 0.000 2.487 332 F HA 0.361 4.901 4.527 0.022 0.000 0.364 332 F C 1.230 177.285 175.800 0.425 0.000 1.126 332 F CA 0.077 58.316 58.000 0.398 0.000 1.135 332 F CB 0.552 39.786 39.000 0.389 0.000 1.127 332 F HN 0.443 nan 8.300 nan 0.000 0.559 333 R N 3.160 123.950 120.500 0.484 0.000 2.629 333 R HA 0.420 4.774 4.340 0.023 0.000 0.266 333 R C -1.792 174.629 176.300 0.201 0.000 1.051 333 R CA -0.812 55.404 56.100 0.194 0.000 0.895 333 R CB 1.599 32.067 30.300 0.280 0.000 1.246 333 R HN 0.580 nan 8.270 nan 0.000 0.459 334 E N 2.181 122.383 120.200 0.002 0.000 2.183 334 E HA 0.490 4.854 4.350 0.023 0.000 0.271 334 E C -1.223 175.432 176.600 0.091 0.000 0.919 334 E CA -0.948 55.555 56.400 0.172 0.000 0.781 334 E CB 2.121 31.991 29.700 0.282 0.000 1.140 334 E HN 0.399 nan 8.360 nan 0.000 0.402 335 V N 5.030 125.001 119.914 0.095 0.000 2.540 335 V HA 0.607 4.741 4.120 0.023 0.000 0.302 335 V C -0.312 175.820 176.094 0.063 0.000 1.035 335 V CA -0.650 61.679 62.300 0.049 0.000 0.873 335 V CB 1.454 33.288 31.823 0.018 0.000 0.992 335 V HN 0.783 nan 8.190 nan 0.000 0.428 336 R N 3.864 124.397 120.500 0.055 0.000 2.692 336 R HA 0.750 5.104 4.340 0.023 0.000 0.269 336 R C -2.107 174.220 176.300 0.044 0.000 1.030 336 R CA -0.935 55.202 56.100 0.062 0.000 0.882 336 R CB 1.816 32.169 30.300 0.090 0.000 1.250 336 R HN 0.496 nan 8.270 nan 0.000 0.465 337 I N 1.029 121.625 120.570 0.044 0.000 2.378 337 I HA 0.379 4.563 4.170 0.023 0.000 0.291 337 I C -0.748 175.392 176.117 0.038 0.000 0.992 337 I CA -0.445 60.875 61.300 0.033 0.000 1.154 337 I CB 1.955 39.974 38.000 0.033 0.000 1.315 337 I HN 0.710 nan 8.210 nan 0.000 0.448 338 E N 5.671 125.890 120.200 0.031 0.000 2.278 338 E HA 0.276 4.640 4.350 0.023 0.000 0.272 338 E C -0.316 176.298 176.600 0.023 0.000 0.890 338 E CA -0.514 55.907 56.400 0.033 0.000 0.770 338 E CB 0.962 30.688 29.700 0.043 0.000 1.212 338 E HN 0.518 nan 8.360 nan 0.000 0.415 339 N N 3.383 122.096 118.700 0.022 0.000 2.735 339 N HA -0.228 4.526 4.740 0.023 0.000 0.248 339 N C 0.440 175.956 175.510 0.010 0.000 1.083 339 N CA 2.105 55.165 53.050 0.016 0.000 0.703 339 N CB -1.188 37.307 38.487 0.014 0.000 1.005 339 N HN 1.006 nan 8.380 nan 0.000 0.550 340 G N -2.257 106.549 108.800 0.010 0.000 2.176 340 G HA2 -0.273 3.701 3.960 0.023 0.000 0.253 340 G HA3 -0.273 3.701 3.960 0.023 0.000 0.253 340 G C -0.108 174.786 174.900 -0.009 0.000 0.979 340 G CA 0.464 45.566 45.100 0.003 0.000 0.641 340 G HN 0.465 nan 8.290 nan 0.000 0.530 341 L N 0.031 121.249 121.223 -0.008 0.000 2.362 341 L HA 0.691 5.045 4.340 0.023 0.000 0.271 341 L C 0.144 177.002 176.870 -0.020 0.000 1.002 341 L CA -1.337 53.489 54.840 -0.022 0.000 0.818 341 L CB 1.923 43.970 42.059 -0.021 0.000 1.298 341 L HN 0.094 nan 8.230 nan 0.000 0.420 342 L N 4.314 125.513 121.223 -0.041 0.000 2.385 342 L HA 0.368 4.722 4.340 0.023 0.000 0.281 342 L C -0.827 176.017 176.870 -0.044 0.000 1.106 342 L CA 0.541 55.356 54.840 -0.042 0.000 0.856 342 L CB 0.061 42.082 42.059 -0.064 0.000 1.186 342 L HN 0.376 nan 8.230 nan 0.000 0.453 343 L N 6.004 127.217 121.223 -0.016 0.000 2.334 343 L HA 0.533 4.887 4.340 0.023 0.000 0.276 343 L C -0.737 176.128 176.870 -0.010 0.000 1.014 343 L CA -0.810 54.026 54.840 -0.007 0.000 0.815 343 L CB 1.910 43.989 42.059 0.033 0.000 1.268 343 L HN 0.538 nan 8.230 nan 0.000 0.428 344 L N 3.741 124.962 121.223 -0.004 0.000 2.325 344 L HA 0.475 4.829 4.340 0.023 0.000 0.281 344 L C -0.181 176.663 176.870 -0.042 0.000 1.004 344 L CA -0.130 54.708 54.840 -0.003 0.000 0.823 344 L CB 0.941 43.005 42.059 0.009 0.000 1.236 344 L HN 0.600 nan 8.230 nan 0.000 0.415 345 N N 4.200 122.720 118.700 -0.299 0.000 2.716 345 N HA -0.227 4.527 4.740 0.023 0.000 0.250 345 N C 0.919 175.980 175.510 -0.749 0.000 1.033 345 N CA 1.307 53.799 53.050 -0.931 0.000 0.727 345 N CB -1.248 36.646 38.487 -0.988 0.000 0.950 345 N HN 1.154 nan 8.380 nan 0.000 0.541 346 G N -2.088 106.597 108.800 -0.192 0.000 2.179 346 G HA2 -0.353 3.621 3.960 0.023 0.000 0.260 346 G HA3 -0.353 3.621 3.960 0.023 0.000 0.260 346 G C -0.023 174.908 174.900 0.051 0.000 0.977 346 G CA 0.915 46.069 45.100 0.088 0.000 0.641 346 G HN 0.441 nan 8.290 nan 0.000 0.533 347 K N 0.715 121.132 120.400 0.029 0.000 2.259 347 K HA 0.538 4.872 4.320 0.023 0.000 0.249 347 K C -2.878 173.694 176.600 -0.046 0.000 0.942 347 K CA -2.085 54.186 56.287 -0.027 0.000 0.816 347 K CB 2.596 35.016 32.500 -0.133 0.000 1.155 347 K HN 0.012 nan 8.250 nan 0.000 0.428 348 P HA 0.234 nan 4.420 nan 0.000 0.282 348 P C -0.171 177.068 177.300 -0.102 0.000 1.262 348 P CA -0.283 62.772 63.100 -0.075 0.000 0.773 348 P CB 0.468 32.126 31.700 -0.070 0.000 0.879 349 L N 3.273 124.430 121.223 -0.110 0.000 2.464 349 L HA 0.276 4.630 4.340 0.023 0.000 0.264 349 L C 0.638 177.430 176.870 -0.131 0.000 1.199 349 L CA -0.508 54.257 54.840 -0.126 0.000 0.818 349 L CB 0.209 42.146 42.059 -0.203 0.000 1.102 349 L HN 0.249 nan 8.230 nan 0.000 0.473 350 L N 3.760 124.926 121.223 -0.096 0.000 2.401 350 L HA 0.416 4.770 4.340 0.023 0.000 0.263 350 L C -0.528 176.302 176.870 -0.066 0.000 1.004 350 L CA -0.220 54.550 54.840 -0.117 0.000 0.881 350 L CB 0.776 42.793 42.059 -0.069 0.000 1.219 350 L HN 0.255 nan 8.230 nan 0.000 0.441 351 I N 4.669 125.137 120.570 -0.170 0.000 2.421 351 I HA 0.189 4.373 4.170 0.023 0.000 0.291 351 I C 0.609 176.706 176.117 -0.032 0.000 1.089 351 I CA 0.182 61.395 61.300 -0.145 0.000 1.354 351 I CB 0.403 38.176 38.000 -0.379 0.000 1.413 351 I HN 0.545 nan 8.210 nan 0.000 0.513 352 R N 4.678 125.256 120.500 0.131 0.000 3.436 352 R HA 0.415 4.769 4.340 0.023 0.000 0.247 352 R C 0.557 177.034 176.300 0.295 0.000 1.434 352 R CA -0.258 55.977 56.100 0.226 0.000 1.543 352 R CB 0.796 31.044 30.300 -0.087 0.000 1.289 352 R HN 0.778 nan 8.270 nan 0.000 0.664 353 G N 0.031 108.953 108.800 0.203 0.000 2.521 353 G HA2 0.570 4.544 3.960 0.023 0.000 0.323 353 G HA3 0.570 4.544 3.960 0.023 0.000 0.323 353 G C -1.241 173.988 174.900 0.548 0.000 1.211 353 G CA -0.421 44.808 45.100 0.216 0.000 0.979 353 G HN 0.220 nan 8.290 nan 0.000 0.490 354 V N -0.084 120.129 119.914 0.498 0.000 3.012 354 V HA 0.477 4.611 4.120 0.023 0.000 0.307 354 V C -1.139 175.103 176.094 0.246 0.000 1.166 354 V CA -1.233 61.238 62.300 0.284 0.000 0.974 354 V CB 2.253 33.966 31.823 -0.183 0.000 1.040 354 V HN 0.756 nan 8.190 nan 0.000 0.428 355 N N 4.133 122.896 118.700 0.105 0.000 2.499 355 N HA 0.442 5.195 4.740 0.023 0.000 0.281 355 N C -0.771 174.562 175.510 -0.295 0.000 1.098 355 N CA -0.283 52.695 53.050 -0.119 0.000 0.979 355 N CB 1.482 39.856 38.487 -0.189 0.000 1.121 355 N HN 0.619 nan 8.380 nan 0.000 0.466 356 R N 2.198 122.490 120.500 -0.346 0.000 2.502 356 R HA 0.214 4.567 4.340 0.023 0.000 0.298 356 R C -0.917 175.150 176.300 -0.388 0.000 1.018 356 R CA -0.539 55.375 56.100 -0.311 0.000 0.899 356 R CB 0.836 30.933 30.300 -0.339 0.000 1.181 356 R HN 0.602 nan 8.270 nan 0.000 0.444 357 H N 2.089 121.006 119.070 -0.255 0.000 2.547 357 H HA 0.122 4.692 4.556 0.023 0.000 0.362 357 H C -0.480 174.845 175.328 -0.005 0.000 1.181 357 H CA 0.079 56.074 56.048 -0.087 0.000 1.376 357 H CB 1.422 31.199 29.762 0.025 0.000 1.488 357 H HN 0.537 nan 8.280 nan 0.000 0.583 358 E N 1.728 122.109 120.200 0.301 0.000 1.996 358 E HA 0.105 4.469 4.350 0.023 0.000 0.280 358 E C -0.779 175.980 176.600 0.264 0.000 1.092 358 E CA -0.006 56.503 56.400 0.181 0.000 0.862 358 E CB 0.344 30.165 29.700 0.202 0.000 1.066 358 E HN 0.393 nan 8.360 nan 0.000 0.396 359 H N 1.731 120.869 119.070 0.113 0.000 2.954 359 H HA 0.275 4.845 4.556 0.023 0.000 0.361 359 H C -1.692 173.704 175.328 0.112 0.000 1.122 359 H CA -0.670 55.443 56.048 0.108 0.000 1.217 359 H CB 1.173 30.986 29.762 0.086 0.000 1.776 359 H HN 0.399 nan 8.280 nan 0.000 0.533 360 H N 6.149 124.829 119.070 -0.650 0.000 2.840 360 H HA 0.206 4.775 4.556 0.023 0.000 0.340 360 H C -2.339 172.610 175.328 -0.631 0.000 1.004 360 H CA -2.333 53.463 56.048 -0.420 0.000 1.288 360 H CB 2.588 32.266 29.762 -0.141 0.000 1.607 360 H HN 0.541 nan 8.280 nan 0.000 0.522 361 P HA -0.102 nan 4.420 nan 0.000 0.219 361 P C 1.147 178.344 177.300 -0.172 0.000 1.146 361 P CA 0.895 63.852 63.100 -0.240 0.000 0.808 361 P CB 0.740 32.341 31.700 -0.164 0.000 0.779 362 L N -1.951 119.244 121.223 -0.047 0.000 2.362 362 L HA 0.107 4.461 4.340 0.023 0.000 0.204 362 L C 2.034 178.722 176.870 -0.304 0.000 1.060 362 L CA 0.632 55.343 54.840 -0.215 0.000 0.827 362 L CB -0.781 41.053 42.059 -0.375 0.000 1.027 362 L HN 0.003 nan 8.230 nan 0.000 0.474 363 H N -0.309 118.759 119.070 -0.003 0.000 2.526 363 H HA 0.336 4.906 4.556 0.023 0.000 0.274 363 H C 1.420 176.651 175.328 -0.162 0.000 0.999 363 H CA 0.272 56.216 56.048 -0.174 0.000 1.157 363 H CB 0.264 29.826 29.762 -0.333 0.000 1.407 363 H HN 0.357 nan 8.280 nan 0.000 0.568 364 G N 1.511 110.219 108.800 -0.153 0.000 2.557 364 G HA2 -0.397 3.577 3.960 0.023 0.000 0.292 364 G HA3 -0.397 3.577 3.960 0.023 0.000 0.292 364 G C 0.731 175.554 174.900 -0.129 0.000 1.162 364 G CA 0.447 45.419 45.100 -0.212 0.000 0.964 364 G HN 0.472 nan 8.290 nan 0.000 0.541 365 Q N -0.147 119.605 119.800 -0.079 0.000 2.198 365 Q HA 0.491 4.845 4.340 0.023 0.000 0.209 365 Q C 0.265 176.359 176.000 0.158 0.000 0.848 365 Q CA -0.155 55.642 55.803 -0.009 0.000 0.974 365 Q CB 1.485 30.107 28.738 -0.195 0.000 1.115 365 Q HN 0.376 nan 8.270 nan 0.000 0.494 366 V N 1.981 121.970 119.914 0.125 0.000 2.530 366 V HA 0.186 4.320 4.120 0.023 0.000 0.282 366 V C 0.196 176.349 176.094 0.097 0.000 1.048 366 V CA 0.129 62.510 62.300 0.134 0.000 0.997 366 V CB 1.000 32.837 31.823 0.024 0.000 0.987 366 V HN 0.325 nan 8.190 nan 0.000 0.477 367 M N 4.407 124.074 119.600 0.112 0.000 2.537 367 M HA 0.508 5.002 4.480 0.023 0.000 0.324 367 M C -0.551 175.726 176.300 -0.038 0.000 1.187 367 M CA -0.603 54.725 55.300 0.047 0.000 0.993 367 M CB 1.708 34.317 32.600 0.015 0.000 1.666 367 M HN 0.950 nan 8.290 nan 0.000 0.461 368 D N -1.662 118.713 120.400 -0.041 0.000 2.645 368 D HA 0.251 4.905 4.640 0.023 0.000 0.228 368 D C 0.327 176.610 176.300 -0.028 0.000 1.148 368 D CA -0.696 53.274 54.000 -0.051 0.000 0.860 368 D CB 1.558 42.337 40.800 -0.035 0.000 1.548 368 D HN 0.693 nan 8.370 nan 0.000 0.460 369 E N -0.078 120.111 120.200 -0.018 0.000 2.085 369 E HA -0.335 4.029 4.350 0.023 0.000 0.194 369 E C 1.276 177.916 176.600 0.068 0.000 0.994 369 E CA 1.696 58.112 56.400 0.026 0.000 0.801 369 E CB 0.145 29.875 29.700 0.049 0.000 0.743 369 E HN 0.527 nan 8.360 nan 0.000 0.453 370 Q N -0.062 119.781 119.800 0.072 0.000 2.084 370 Q HA -0.109 4.245 4.340 0.023 0.000 0.202 370 Q C 2.217 178.282 176.000 0.108 0.000 0.978 370 Q CA 2.152 58.009 55.803 0.090 0.000 0.844 370 Q CB -0.922 27.869 28.738 0.089 0.000 0.898 370 Q HN 0.212 nan 8.270 nan 0.000 0.426 371 T N 0.831 115.462 114.554 0.129 0.000 2.746 371 T HA -0.079 4.285 4.350 0.023 0.000 0.267 371 T C 1.808 176.594 174.700 0.143 0.000 1.039 371 T CA 1.421 63.614 62.100 0.155 0.000 1.142 371 T CB -0.227 68.769 68.868 0.215 0.000 0.866 371 T HN 0.193 nan 8.240 nan 0.000 0.444 372 M N 0.499 120.181 119.600 0.138 0.000 2.086 372 M HA -0.086 4.408 4.480 0.023 0.000 0.261 372 M C 2.465 178.881 176.300 0.193 0.000 1.067 372 M CA 1.309 56.747 55.300 0.231 0.000 1.116 372 M CB -0.557 32.214 32.600 0.285 0.000 1.348 372 M HN 0.080 nan 8.290 nan 0.000 0.407 373 V N 0.124 120.093 119.914 0.091 0.000 2.427 373 V HA -0.280 3.853 4.120 0.023 0.000 0.248 373 V C 2.304 178.382 176.094 -0.027 0.000 1.051 373 V CA 1.917 64.203 62.300 -0.023 0.000 1.048 373 V CB -0.750 31.098 31.823 0.042 0.000 0.666 373 V HN 0.553 nan 8.190 nan 0.000 0.456 374 Q N -0.335 119.502 119.800 0.062 0.000 2.084 374 Q HA -0.265 4.089 4.340 0.023 0.000 0.202 374 Q C 1.950 178.019 176.000 0.115 0.000 0.978 374 Q CA 2.118 57.975 55.803 0.090 0.000 0.844 374 Q CB -0.095 28.716 28.738 0.123 0.000 0.898 374 Q HN 0.598 nan 8.270 nan 0.000 0.426 375 D N 0.241 120.724 120.400 0.138 0.000 2.097 375 D HA -0.124 4.530 4.640 0.023 0.000 0.195 375 D C 1.871 178.106 176.300 -0.109 0.000 0.989 375 D CA 1.006 55.079 54.000 0.122 0.000 0.827 375 D CB -0.142 40.722 40.800 0.107 0.000 0.966 375 D HN 0.330 nan 8.370 nan 0.000 0.456 376 I N 0.531 121.041 120.570 -0.100 0.000 2.226 376 I HA -0.231 3.953 4.170 0.023 0.000 0.245 376 I C 2.328 178.295 176.117 -0.249 0.000 1.100 376 I CA 0.616 61.755 61.300 -0.269 0.000 1.374 376 I CB -0.033 37.686 38.000 -0.469 0.000 1.057 376 I HN 0.009 nan 8.210 nan 0.000 0.413 377 L N -0.090 121.026 121.223 -0.178 0.000 2.027 377 L HA -0.221 4.133 4.340 0.023 0.000 0.206 377 L C 2.524 179.448 176.870 0.089 0.000 1.074 377 L CA 1.331 56.154 54.840 -0.027 0.000 0.745 377 L CB -0.568 41.506 42.059 0.025 0.000 0.898 377 L HN 0.263 nan 8.230 nan 0.000 0.433 378 L N -0.922 120.376 121.223 0.125 0.000 2.046 378 L HA -0.247 4.106 4.340 0.023 0.000 0.208 378 L C 2.690 179.714 176.870 0.256 0.000 1.077 378 L CA 1.332 56.334 54.840 0.270 0.000 0.747 378 L CB -0.317 42.023 42.059 0.469 0.000 0.896 378 L HN 0.276 nan 8.230 nan 0.000 0.432 379 M N -0.618 118.952 119.600 -0.050 0.000 2.065 379 M HA -0.270 4.224 4.480 0.023 0.000 0.259 379 M C 2.330 178.725 176.300 0.158 0.000 1.071 379 M CA 1.938 57.160 55.300 -0.131 0.000 1.109 379 M CB -0.370 31.935 32.600 -0.492 0.000 1.313 379 M HN 0.064 nan 8.290 nan 0.000 0.408 380 K N -0.095 120.282 120.400 -0.037 0.000 2.057 380 K HA -0.190 4.144 4.320 0.023 0.000 0.207 380 K C 1.974 178.527 176.600 -0.078 0.000 1.049 380 K CA 1.437 57.583 56.287 -0.234 0.000 0.931 380 K CB -0.245 31.903 32.500 -0.587 0.000 0.714 380 K HN 0.458 nan 8.250 nan 0.000 0.440 381 Q N 0.321 120.252 119.800 0.218 0.000 2.291 381 Q HA -0.047 4.306 4.340 0.023 0.000 0.206 381 Q C 0.746 177.039 176.000 0.489 0.000 0.976 381 Q CA 0.733 56.787 55.803 0.418 0.000 0.875 381 Q CB 0.122 29.079 28.738 0.364 0.000 0.927 381 Q HN 0.264 nan 8.270 nan 0.000 0.450 382 N N 0.685 119.632 118.700 0.411 0.000 2.321 382 N HA 0.057 4.810 4.740 0.023 0.000 0.242 382 N C -0.633 174.982 175.510 0.174 0.000 1.141 382 N CA 0.021 53.307 53.050 0.393 0.000 0.864 382 N CB 0.675 39.483 38.487 0.536 0.000 1.100 382 N HN 0.164 nan 8.380 nan 0.000 0.510 383 N N 0.107 118.921 118.700 0.190 0.000 2.782 383 N HA -0.190 4.563 4.740 0.023 0.000 0.251 383 N C -0.804 174.636 175.510 -0.117 0.000 1.101 383 N CA 0.828 53.945 53.050 0.111 0.000 0.764 383 N CB -1.723 36.754 38.487 -0.016 0.000 1.122 383 N HN 0.266 nan 8.380 nan 0.000 0.561 384 F N 1.102 121.088 119.950 0.060 0.000 2.375 384 F HA 0.309 4.849 4.527 0.022 0.000 0.333 384 F C 1.753 177.566 175.800 0.021 0.000 1.104 384 F CA -0.564 57.459 58.000 0.037 0.000 1.149 384 F CB 0.829 39.828 39.000 -0.001 0.000 1.190 384 F HN 0.036 nan 8.300 nan 0.000 0.533 385 N N 0.674 119.517 118.700 0.239 0.000 2.160 385 N HA 0.439 5.193 4.740 0.023 0.000 0.226 385 N C -0.899 174.690 175.510 0.132 0.000 1.256 385 N CA -0.039 53.078 53.050 0.113 0.000 0.890 385 N CB 0.771 39.369 38.487 0.184 0.000 1.116 385 N HN 0.476 nan 8.380 nan 0.000 0.517 386 A N -0.556 122.413 122.820 0.248 0.000 2.594 386 A HA 0.741 5.074 4.320 0.023 0.000 0.295 386 A C -1.793 176.033 177.584 0.402 0.000 1.071 386 A CA -0.710 51.535 52.037 0.347 0.000 0.685 386 A CB 1.818 21.047 19.000 0.382 0.000 1.285 386 A HN 0.171 nan 8.150 nan 0.000 0.405 387 V N 1.348 121.531 119.914 0.449 0.000 2.841 387 V HA 0.809 4.943 4.120 0.023 0.000 0.310 387 V C -0.554 175.666 176.094 0.209 0.000 1.090 387 V CA -0.718 61.791 62.300 0.349 0.000 0.930 387 V CB 1.890 33.868 31.823 0.258 0.000 1.014 387 V HN 1.117 nan 8.190 nan 0.000 0.425 388 R N 4.841 125.315 120.500 -0.043 0.000 2.445 388 R HA 0.462 4.816 4.340 0.023 0.000 0.308 388 R C -0.698 175.459 176.300 -0.238 0.000 0.961 388 R CA -0.480 55.403 56.100 -0.362 0.000 0.862 388 R CB 1.188 30.998 30.300 -0.817 0.000 1.144 388 R HN 0.783 nan 8.270 nan 0.000 0.447 389 C N 4.449 123.640 119.300 -0.182 0.000 3.329 389 C HA 0.095 4.569 4.460 0.023 0.000 0.537 389 C C 0.507 175.228 174.990 -0.448 0.000 1.034 389 C CA -0.325 58.543 59.018 -0.250 0.000 1.086 389 C CB -2.181 25.532 27.740 -0.044 0.000 1.392 389 C HN 0.720 nan 8.230 nan 0.000 0.612 390 S N 1.362 116.682 115.700 -0.634 0.000 2.481 390 S HA 0.158 4.642 4.470 0.023 0.000 0.282 390 S C -0.131 173.568 174.600 -1.500 0.000 1.243 390 S CA 0.188 57.764 58.200 -1.039 0.000 1.078 390 S CB 0.124 62.646 63.200 -1.131 0.000 0.916 390 S HN 0.719 nan 8.310 nan 0.000 0.495 391 H N 3.713 122.159 119.070 -1.040 0.000 2.439 391 H HA 0.324 4.894 4.556 0.023 0.000 0.228 391 H C -1.183 174.011 175.328 -0.224 0.000 1.423 391 H CA -0.375 55.451 56.048 -0.370 0.000 1.386 391 H CB -0.138 29.602 29.762 -0.038 0.000 1.641 391 H HN 0.887 nan 8.280 nan 0.000 0.508 392 Y N -2.638 117.755 120.300 0.155 0.000 2.687 392 Y HA 0.394 4.958 4.550 0.023 0.000 0.338 392 Y C -3.346 172.654 175.900 0.166 0.000 1.189 392 Y CA -3.083 55.117 58.100 0.166 0.000 1.097 392 Y CB 0.061 38.622 38.460 0.168 0.000 1.342 392 Y HN -0.069 nan 8.280 nan 0.000 0.461 393 P HA 0.163 nan 4.420 nan 0.000 0.268 393 P C -0.600 176.978 177.300 0.464 0.000 1.205 393 P CA 0.155 63.500 63.100 0.409 0.000 0.771 393 P CB 0.609 32.491 31.700 0.304 0.000 0.858 394 N N 0.478 119.451 118.700 0.456 0.000 2.447 394 N HA 0.083 4.837 4.740 0.023 0.000 0.271 394 N C 0.198 175.936 175.510 0.379 0.000 1.226 394 N CA -0.602 52.640 53.050 0.320 0.000 0.980 394 N CB 0.294 38.778 38.487 -0.005 0.000 1.206 394 N HN 0.604 nan 8.380 nan 0.000 0.558 395 H N 2.099 121.272 119.070 0.172 0.000 3.038 395 H HA -0.016 4.553 4.556 0.023 0.000 0.338 395 H C -1.645 173.837 175.328 0.258 0.000 1.041 395 H CA -0.696 55.441 56.048 0.148 0.000 1.394 395 H CB 0.955 30.777 29.762 0.100 0.000 1.357 395 H HN 0.436 nan 8.280 nan 0.000 0.600 396 P HA -0.184 nan 4.420 nan 0.000 0.218 396 P C 1.844 179.457 177.300 0.523 0.000 1.148 396 P CA 0.618 63.977 63.100 0.432 0.000 0.822 396 P CB 0.218 32.030 31.700 0.187 0.000 0.784 397 L N -0.932 120.676 121.223 0.642 0.000 2.191 397 L HA -0.056 4.298 4.340 0.023 0.000 0.212 397 L C 2.397 179.420 176.870 0.254 0.000 1.103 397 L CA 1.417 56.479 54.840 0.370 0.000 0.769 397 L CB -1.388 40.814 42.059 0.239 0.000 0.908 397 L HN 0.015 nan 8.230 nan 0.000 0.438 398 W N -0.371 120.953 121.300 0.040 0.000 2.318 398 W HA -0.351 4.322 4.660 0.022 0.000 0.313 398 W C 2.128 178.511 176.519 -0.227 0.000 1.221 398 W CA 2.137 59.374 57.345 -0.179 0.000 1.266 398 W CB -0.436 28.810 29.460 -0.356 0.000 1.150 398 W HN 0.281 nan 8.180 nan 0.000 0.496 399 Y N 0.829 121.050 120.300 -0.131 0.000 2.242 399 Y HA -0.212 4.352 4.550 0.023 0.000 0.291 399 Y C 2.836 178.517 175.900 -0.365 0.000 1.137 399 Y CA 2.136 59.950 58.100 -0.476 0.000 1.181 399 Y CB -1.328 36.534 38.460 -0.997 0.000 0.989 399 Y HN -0.206 nan 8.280 nan 0.000 0.527 400 T N 0.799 115.372 114.554 0.032 0.000 2.708 400 T HA -0.178 4.185 4.350 0.023 0.000 0.266 400 T C 2.021 176.762 174.700 0.068 0.000 1.037 400 T CA 1.528 63.723 62.100 0.158 0.000 1.146 400 T CB -0.627 68.371 68.868 0.218 0.000 0.865 400 T HN 0.237 nan 8.240 nan 0.000 0.435 401 L N 0.387 121.602 121.223 -0.012 0.000 2.046 401 L HA -0.119 4.235 4.340 0.023 0.000 0.208 401 L C 2.941 179.781 176.870 -0.050 0.000 1.077 401 L CA 1.005 55.850 54.840 0.008 0.000 0.747 401 L CB -0.770 41.240 42.059 -0.082 0.000 0.896 401 L HN 0.374 nan 8.230 nan 0.000 0.432 402 C N -0.187 118.914 119.300 -0.331 0.000 2.425 402 C HA -0.148 4.326 4.460 0.023 0.000 0.277 402 C C 2.433 177.470 174.990 0.078 0.000 1.280 402 C CA 0.460 59.328 59.018 -0.250 0.000 1.744 402 C CB -0.830 26.647 27.740 -0.440 0.000 1.989 402 C HN 0.549 nan 8.230 nan 0.000 0.491 403 D N 0.430 120.884 120.400 0.090 0.000 2.123 403 D HA -0.115 4.539 4.640 0.023 0.000 0.196 403 D C 2.362 178.878 176.300 0.360 0.000 0.992 403 D CA 1.282 55.407 54.000 0.209 0.000 0.833 403 D CB -0.341 40.540 40.800 0.135 0.000 0.954 403 D HN 0.546 nan 8.370 nan 0.000 0.455 404 R N -1.098 119.514 120.500 0.186 0.000 2.090 404 R HA 0.043 4.397 4.340 0.023 0.000 0.219 404 R C 2.138 178.437 176.300 -0.002 0.000 1.100 404 R CA 0.443 56.594 56.100 0.085 0.000 0.991 404 R CB -0.163 30.114 30.300 -0.039 0.000 0.893 404 R HN 0.253 nan 8.270 nan 0.000 0.443 405 Y N 0.043 120.362 120.300 0.032 0.000 2.475 405 Y HA 0.151 4.714 4.550 0.022 0.000 0.289 405 Y C 0.927 176.776 175.900 -0.085 0.000 1.121 405 Y CA 0.790 58.885 58.100 -0.009 0.000 1.257 405 Y CB 0.711 39.134 38.460 -0.062 0.000 1.026 405 Y HN 0.245 nan 8.280 nan 0.000 0.555 406 G N 1.282 110.138 108.800 0.094 0.000 2.894 406 G HA2 -0.170 3.804 3.960 0.023 0.000 0.263 406 G HA3 -0.170 3.804 3.960 0.023 0.000 0.263 406 G C -1.135 173.627 174.900 -0.230 0.000 1.013 406 G CA -0.509 44.521 45.100 -0.117 0.000 1.226 406 G HN 0.170 nan 8.290 nan 0.000 0.563 407 L N 0.984 122.142 121.223 -0.108 0.000 2.455 407 L HA 0.503 4.857 4.340 0.023 0.000 0.264 407 L C -0.018 176.866 176.870 0.023 0.000 0.968 407 L CA -1.302 53.440 54.840 -0.163 0.000 0.827 407 L CB 2.016 43.997 42.059 -0.129 0.000 1.317 407 L HN 0.449 nan 8.230 nan 0.000 0.407 408 Y N 1.894 122.334 120.300 0.233 0.000 2.359 408 Y HA 0.380 4.945 4.550 0.025 0.000 0.330 408 Y C 0.208 176.249 175.900 0.235 0.000 1.143 408 Y CA -0.606 57.666 58.100 0.288 0.000 1.318 408 Y CB 1.347 39.952 38.460 0.241 0.000 1.234 408 Y HN 0.158 nan 8.280 nan 0.000 0.522 409 V N 4.240 124.355 119.914 0.336 0.000 2.680 409 V HA 0.329 4.463 4.120 0.023 0.000 0.309 409 V C -0.636 175.551 176.094 0.155 0.000 1.052 409 V CA -1.016 61.422 62.300 0.231 0.000 0.908 409 V CB 2.030 33.955 31.823 0.171 0.000 1.001 409 V HN 0.449 nan 8.190 nan 0.000 0.431 410 V N 3.238 123.212 119.914 0.099 0.000 2.333 410 V HA 0.317 4.450 4.120 0.023 0.000 0.274 410 V C -0.279 175.858 176.094 0.071 0.000 1.028 410 V CA -0.402 61.906 62.300 0.013 0.000 0.851 410 V CB 1.380 33.108 31.823 -0.159 0.000 1.000 410 V HN 0.872 nan 8.190 nan 0.000 0.456 411 D N 4.200 124.681 120.400 0.135 0.000 2.277 411 D HA 0.300 4.954 4.640 0.023 0.000 0.249 411 D C -0.213 176.279 176.300 0.321 0.000 1.134 411 D CA -0.006 54.171 54.000 0.295 0.000 0.863 411 D CB 1.233 42.250 40.800 0.362 0.000 1.143 411 D HN 0.683 nan 8.370 nan 0.000 0.458 412 E N 1.911 122.265 120.200 0.256 0.000 2.210 412 E HA 0.604 4.968 4.350 0.023 0.000 0.266 412 E C -1.013 175.719 176.600 0.220 0.000 0.883 412 E CA -1.066 55.467 56.400 0.221 0.000 0.761 412 E CB 1.367 31.151 29.700 0.141 0.000 1.156 412 E HN 0.480 nan 8.360 nan 0.000 0.412 413 A N 3.802 126.743 122.820 0.202 0.000 2.483 413 A HA 0.036 4.370 4.320 0.023 0.000 0.238 413 A C 0.335 178.035 177.584 0.194 0.000 1.070 413 A CA -0.184 51.951 52.037 0.164 0.000 0.770 413 A CB 0.144 19.206 19.000 0.104 0.000 1.008 413 A HN 0.684 nan 8.150 nan 0.000 0.497 414 N N 1.145 119.967 118.700 0.204 0.000 2.895 414 N HA 0.288 5.042 4.740 0.023 0.000 0.277 414 N C -1.087 174.545 175.510 0.204 0.000 1.185 414 N CA 0.251 53.454 53.050 0.256 0.000 1.106 414 N CB -0.830 37.810 38.487 0.256 0.000 1.422 414 N HN 0.477 nan 8.380 nan 0.000 0.521 415 I N 1.132 121.815 120.570 0.189 0.000 2.534 415 I HA 0.248 4.432 4.170 0.023 0.000 0.286 415 I C -0.722 175.488 176.117 0.156 0.000 1.094 415 I CA -0.549 60.846 61.300 0.158 0.000 1.055 415 I CB 1.904 39.974 38.000 0.116 0.000 1.225 415 I HN 0.253 nan 8.210 nan 0.000 0.435 416 E N 4.186 124.474 120.200 0.147 0.000 2.287 416 E HA 0.366 4.729 4.350 0.023 0.000 0.274 416 E C -0.668 175.990 176.600 0.096 0.000 0.896 416 E CA -0.429 56.029 56.400 0.097 0.000 0.788 416 E CB 1.644 31.386 29.700 0.069 0.000 1.244 416 E HN 0.586 nan 8.360 nan 0.000 0.408 417 T N 0.623 115.223 114.554 0.076 0.000 3.448 417 T HA 0.168 4.532 4.350 0.023 0.000 0.271 417 T C 0.851 175.587 174.700 0.061 0.000 1.002 417 T CA -0.333 61.840 62.100 0.121 0.000 0.995 417 T CB -0.273 68.657 68.868 0.104 0.000 1.153 417 T HN 0.657 nan 8.240 nan 0.000 0.510 418 H N 1.096 120.069 119.070 -0.162 0.000 2.394 418 H HA -0.072 4.498 4.556 0.024 0.000 0.297 418 H C 2.317 177.515 175.328 -0.218 0.000 1.113 418 H CA 1.401 57.327 56.048 -0.203 0.000 1.277 418 H CB -0.143 29.461 29.762 -0.263 0.000 1.370 418 H HN 0.594 nan 8.280 nan 0.000 0.506 419 G N 0.109 108.766 108.800 -0.239 0.000 2.598 419 G HA2 -0.066 3.908 3.960 0.023 0.000 0.215 419 G HA3 -0.066 3.908 3.960 0.023 0.000 0.215 419 G C 0.547 175.545 174.900 0.162 0.000 1.131 419 G CA -0.128 44.866 45.100 -0.177 0.000 0.785 419 G HN 0.138 nan 8.290 nan 0.000 0.539 420 M N 0.366 120.112 119.600 0.244 0.000 2.219 420 M HA 0.265 4.758 4.480 0.023 0.000 0.307 420 M C -0.301 176.034 176.300 0.058 0.000 1.116 420 M CA -0.076 55.319 55.300 0.158 0.000 1.181 420 M CB 1.243 33.889 32.600 0.076 0.000 1.410 420 M HN -0.186 nan 8.290 nan 0.000 0.454 421 V N 3.775 123.701 119.914 0.020 0.000 2.447 421 V HA 0.346 4.480 4.120 0.023 0.000 0.292 421 V C -1.997 174.088 176.094 -0.015 0.000 1.021 421 V CA -1.302 60.996 62.300 -0.003 0.000 0.850 421 V CB 1.723 33.539 31.823 -0.011 0.000 1.005 421 V HN 0.724 nan 8.190 nan 0.000 0.426 422 P HA 0.254 nan 4.420 nan 0.000 0.277 422 P C 0.997 178.299 177.300 0.003 0.000 1.276 422 P CA -0.511 62.585 63.100 -0.008 0.000 0.788 422 P CB 1.058 32.755 31.700 -0.005 0.000 1.114 423 M N 0.449 120.056 119.600 0.012 0.000 2.358 423 M HA -0.152 4.342 4.480 0.023 0.000 0.264 423 M C 1.177 177.498 176.300 0.035 0.000 1.064 423 M CA 1.627 56.943 55.300 0.027 0.000 1.093 423 M CB -0.453 32.155 32.600 0.013 0.000 1.401 423 M HN 0.350 nan 8.290 nan 0.000 0.440 424 N N -0.133 118.587 118.700 0.034 0.000 2.276 424 N HA -0.069 4.685 4.740 0.023 0.000 0.212 424 N C 1.143 176.637 175.510 -0.028 0.000 1.127 424 N CA 0.106 53.178 53.050 0.037 0.000 0.834 424 N CB -0.684 37.843 38.487 0.065 0.000 1.014 424 N HN 0.364 nan 8.380 nan 0.000 0.491 425 R N 0.564 121.035 120.500 -0.049 0.000 2.103 425 R HA -0.035 4.319 4.340 0.023 0.000 0.242 425 R C 1.446 177.653 176.300 -0.154 0.000 1.142 425 R CA 1.432 57.479 56.100 -0.087 0.000 0.960 425 R CB -0.078 30.170 30.300 -0.087 0.000 0.858 425 R HN 0.280 nan 8.270 nan 0.000 0.439 426 L N -0.404 120.671 121.223 -0.247 0.000 2.168 426 L HA -0.015 4.339 4.340 0.023 0.000 0.203 426 L C 2.554 179.299 176.870 -0.208 0.000 1.078 426 L CA 1.334 55.917 54.840 -0.429 0.000 0.780 426 L CB -0.650 40.921 42.059 -0.812 0.000 0.939 426 L HN 0.381 nan 8.230 nan 0.000 0.451 427 T N -4.003 110.454 114.554 -0.162 0.000 2.977 427 T HA -0.195 4.169 4.350 0.023 0.000 0.271 427 T C 1.313 175.914 174.700 -0.165 0.000 1.105 427 T CA 1.442 63.419 62.100 -0.205 0.000 1.116 427 T CB -0.249 68.450 68.868 -0.282 0.000 0.878 427 T HN 0.139 nan 8.240 nan 0.000 0.509 428 D N 0.953 121.297 120.400 -0.093 0.000 2.349 428 D HA 0.094 4.748 4.640 0.023 0.000 0.214 428 D C -0.129 176.149 176.300 -0.035 0.000 1.063 428 D CA -0.191 53.766 54.000 -0.072 0.000 0.847 428 D CB -0.100 40.665 40.800 -0.057 0.000 0.933 428 D HN 0.307 nan 8.370 nan 0.000 0.513 429 D N 0.077 120.475 120.400 -0.004 0.000 2.313 429 D HA 0.096 4.750 4.640 0.023 0.000 0.239 429 D C -1.660 174.688 176.300 0.079 0.000 1.142 429 D CA -2.112 51.923 54.000 0.059 0.000 0.847 429 D CB 1.897 42.780 40.800 0.137 0.000 1.082 429 D HN 0.008 nan 8.370 nan 0.000 0.480 430 P HA -0.079 nan 4.420 nan 0.000 0.225 430 P C 0.952 178.245 177.300 -0.012 0.000 1.148 430 P CA 0.596 63.699 63.100 0.004 0.000 0.779 430 P CB 0.336 32.029 31.700 -0.012 0.000 0.780 431 R N -1.541 118.957 120.500 -0.002 0.000 2.189 431 R HA -0.067 4.287 4.340 0.023 0.000 0.223 431 R C 1.500 177.632 176.300 -0.279 0.000 1.092 431 R CA 1.149 57.170 56.100 -0.132 0.000 0.989 431 R CB -0.508 29.699 30.300 -0.154 0.000 0.876 431 R HN 0.322 nan 8.270 nan 0.000 0.457 432 W N -0.043 121.201 121.300 -0.094 0.000 3.278 432 W HA 0.139 4.812 4.660 0.022 0.000 0.308 432 W C 1.493 177.953 176.519 -0.098 0.000 1.253 432 W CA -0.519 56.771 57.345 -0.092 0.000 1.759 432 W CB -0.011 29.393 29.460 -0.094 0.000 1.093 432 W HN 0.009 nan 8.180 nan 0.000 0.648 433 L N 2.122 123.365 121.223 0.032 0.000 2.083 433 L HA -0.043 4.311 4.340 0.023 0.000 0.209 433 L C -0.727 176.106 176.870 -0.062 0.000 1.083 433 L CA 2.198 57.023 54.840 -0.026 0.000 0.752 433 L CB -1.597 40.436 42.059 -0.044 0.000 0.899 433 L HN -0.236 nan 8.230 nan 0.000 0.433 434 P HA -0.100 nan 4.420 nan 0.000 0.215 434 P C 1.627 178.873 177.300 -0.089 0.000 1.157 434 P CA 2.027 65.064 63.100 -0.104 0.000 0.863 434 P CB -0.196 31.433 31.700 -0.119 0.000 0.787 435 A N -0.862 121.919 122.820 -0.065 0.000 1.902 435 A HA -0.194 4.140 4.320 0.023 0.000 0.217 435 A C 2.219 179.816 177.584 0.023 0.000 1.181 435 A CA 1.949 53.983 52.037 -0.006 0.000 0.623 435 A CB -1.488 17.532 19.000 0.033 0.000 0.818 435 A HN 0.103 nan 8.150 nan 0.000 0.443 436 M N 0.235 119.856 119.600 0.035 0.000 2.175 436 M HA -0.137 4.357 4.480 0.023 0.000 0.264 436 M C 2.513 178.763 176.300 -0.083 0.000 1.063 436 M CA 1.660 56.958 55.300 -0.004 0.000 1.119 436 M CB -0.345 32.231 32.600 -0.040 0.000 1.377 436 M HN 0.660 nan 8.290 nan 0.000 0.415 437 S N 0.462 116.086 115.700 -0.126 0.000 2.382 437 S HA -0.180 4.304 4.470 0.023 0.000 0.228 437 S C 1.595 176.030 174.600 -0.275 0.000 1.027 437 S CA 1.463 59.523 58.200 -0.232 0.000 0.991 437 S CB -0.560 62.477 63.200 -0.271 0.000 0.823 437 S HN 0.536 nan 8.310 nan 0.000 0.469 438 E N 0.989 121.075 120.200 -0.191 0.000 2.204 438 E HA -0.058 4.306 4.350 0.023 0.000 0.194 438 E C 2.382 178.895 176.600 -0.144 0.000 0.989 438 E CA 0.805 57.097 56.400 -0.181 0.000 0.824 438 E CB -0.136 29.494 29.700 -0.116 0.000 0.756 438 E HN 0.579 nan 8.360 nan 0.000 0.477 439 R N 0.148 120.595 120.500 -0.088 0.000 2.148 439 R HA -0.062 4.292 4.340 0.023 0.000 0.227 439 R C 2.175 178.435 176.300 -0.067 0.000 1.103 439 R CA 0.624 56.703 56.100 -0.036 0.000 0.983 439 R CB 0.080 30.397 30.300 0.028 0.000 0.874 439 R HN 0.027 nan 8.270 nan 0.000 0.451 440 V N 0.086 119.915 119.914 -0.141 0.000 2.374 440 V HA -0.168 3.966 4.120 0.023 0.000 0.241 440 V C 2.470 178.385 176.094 -0.298 0.000 1.034 440 V CA 2.083 64.276 62.300 -0.178 0.000 1.037 440 V CB -0.315 31.396 31.823 -0.188 0.000 0.682 440 V HN 0.484 nan 8.190 nan 0.000 0.463 441 T N -0.626 113.629 114.554 -0.500 0.000 2.746 441 T HA -0.244 4.120 4.350 0.023 0.000 0.267 441 T C 1.930 176.461 174.700 -0.281 0.000 1.039 441 T CA 1.422 63.132 62.100 -0.650 0.000 1.142 441 T CB -0.426 67.843 68.868 -0.997 0.000 0.866 441 T HN 0.388 nan 8.240 nan 0.000 0.444 442 R N 0.273 120.637 120.500 -0.227 0.000 2.148 442 R HA 0.186 4.540 4.340 0.023 0.000 0.227 442 R C 2.616 178.833 176.300 -0.138 0.000 1.103 442 R CA 1.328 57.332 56.100 -0.159 0.000 0.983 442 R CB -0.441 29.777 30.300 -0.138 0.000 0.874 442 R HN 0.511 nan 8.270 nan 0.000 0.451 443 M N 0.535 120.059 119.600 -0.127 0.000 2.123 443 M HA -0.113 4.381 4.480 0.023 0.000 0.263 443 M C 1.842 178.056 176.300 -0.142 0.000 1.069 443 M CA 1.545 56.800 55.300 -0.076 0.000 1.133 443 M CB 0.133 32.728 32.600 -0.009 0.000 1.356 443 M HN -0.052 nan 8.290 nan 0.000 0.415 444 V N 1.244 120.970 119.914 -0.314 0.000 2.332 444 V HA -0.300 3.834 4.120 0.023 0.000 0.248 444 V C 2.277 178.256 176.094 -0.192 0.000 1.055 444 V CA 2.071 64.077 62.300 -0.490 0.000 1.038 444 V CB -0.990 30.523 31.823 -0.517 0.000 0.651 444 V HN 0.595 nan 8.190 nan 0.000 0.450 445 Q N -0.747 118.972 119.800 -0.135 0.000 2.226 445 Q HA -0.226 4.127 4.340 0.023 0.000 0.204 445 Q C 2.440 178.346 176.000 -0.156 0.000 0.975 445 Q CA 1.511 57.242 55.803 -0.121 0.000 0.866 445 Q CB -0.157 28.529 28.738 -0.087 0.000 0.915 445 Q HN 0.547 nan 8.270 nan 0.000 0.440 446 R N 0.228 120.634 120.500 -0.157 0.000 2.090 446 R HA -0.071 4.283 4.340 0.023 0.000 0.219 446 R C 0.593 176.819 176.300 -0.124 0.000 1.100 446 R CA 1.180 57.167 56.100 -0.187 0.000 0.991 446 R CB 0.462 30.658 30.300 -0.174 0.000 0.893 446 R HN 0.132 nan 8.270 nan 0.000 0.443 447 D N 0.040 120.423 120.400 -0.029 0.000 2.369 447 D HA -0.012 4.642 4.640 0.023 0.000 0.211 447 D C 1.288 177.686 176.300 0.163 0.000 1.077 447 D CA 0.117 54.144 54.000 0.044 0.000 0.842 447 D CB 0.240 41.002 40.800 -0.063 0.000 0.947 447 D HN 0.361 nan 8.370 nan 0.000 0.509 448 R N 0.673 121.276 120.500 0.171 0.000 2.249 448 R HA -0.015 4.339 4.340 0.023 0.000 0.230 448 R C 0.590 176.897 176.300 0.011 0.000 1.121 448 R CA 0.898 57.119 56.100 0.202 0.000 0.997 448 R CB -0.276 30.079 30.300 0.091 0.000 0.867 448 R HN -0.073 nan 8.270 nan 0.000 0.465 449 N N 0.335 118.971 118.700 -0.108 0.000 2.270 449 N HA 0.023 4.777 4.740 0.023 0.000 0.198 449 N C -0.643 174.740 175.510 -0.212 0.000 1.117 449 N CA 0.109 53.066 53.050 -0.156 0.000 0.845 449 N CB 0.185 38.562 38.487 -0.184 0.000 0.980 449 N HN 0.282 nan 8.380 nan 0.000 0.486 450 H N 1.262 120.262 119.070 -0.117 0.000 2.668 450 H HA 0.128 4.697 4.556 0.022 0.000 0.303 450 H C -1.224 173.948 175.328 -0.260 0.000 1.074 450 H CA -1.242 54.718 56.048 -0.146 0.000 1.406 450 H CB 1.793 31.497 29.762 -0.097 0.000 1.442 450 H HN 0.016 nan 8.280 nan 0.000 0.482 451 P HA -0.155 nan 4.420 nan 0.000 0.218 451 P C 1.496 178.310 177.300 -0.810 0.000 1.149 451 P CA 1.163 63.893 63.100 -0.617 0.000 0.817 451 P CB 0.258 31.338 31.700 -1.034 0.000 0.785 452 S N -0.612 114.707 115.700 -0.635 0.000 2.400 452 S HA -0.068 4.415 4.470 0.023 0.000 0.232 452 S C 1.136 175.717 174.600 -0.032 0.000 1.025 452 S CA 0.538 58.581 58.200 -0.262 0.000 0.993 452 S CB -1.654 61.540 63.200 -0.009 0.000 0.808 452 S HN -0.051 nan 8.310 nan 0.000 0.478 453 V N 3.768 123.628 119.914 -0.090 0.000 2.421 453 V HA 0.189 4.323 4.120 0.023 0.000 0.271 453 V C 1.151 177.109 176.094 -0.226 0.000 1.031 453 V CA 0.205 62.417 62.300 -0.147 0.000 1.032 453 V CB 0.192 31.826 31.823 -0.315 0.000 1.009 453 V HN 0.644 nan 8.190 nan 0.000 0.477 454 I N 2.703 123.196 120.570 -0.128 0.000 4.187 454 I HA 0.497 4.681 4.170 0.023 0.000 0.326 454 I C 0.390 176.396 176.117 -0.186 0.000 1.302 454 I CA 0.495 61.729 61.300 -0.110 0.000 1.196 454 I CB 0.509 38.532 38.000 0.039 0.000 1.095 454 I HN 0.315 nan 8.210 nan 0.000 0.411 455 I N 0.232 120.672 120.570 -0.218 0.000 2.656 455 I HA 0.365 4.549 4.170 0.023 0.000 0.292 455 I C -1.526 174.490 176.117 -0.167 0.000 1.144 455 I CA -0.396 60.816 61.300 -0.146 0.000 1.038 455 I CB 2.022 40.032 38.000 0.017 0.000 1.244 455 I HN 0.031 nan 8.210 nan 0.000 0.420 456 W N 3.793 125.142 121.300 0.082 0.000 2.512 456 W HA 0.618 5.289 4.660 0.019 0.000 0.335 456 W C 0.387 176.969 176.519 0.106 0.000 1.088 456 W CA -0.647 56.751 57.345 0.088 0.000 1.236 456 W CB 1.743 31.249 29.460 0.078 0.000 1.307 456 W HN 0.315 nan 8.180 nan 0.000 0.567 457 S N 2.724 118.661 115.700 0.394 0.000 2.502 457 S HA 0.375 4.859 4.470 0.023 0.000 0.304 457 S C 0.273 175.034 174.600 0.268 0.000 1.097 457 S CA -0.709 57.665 58.200 0.291 0.000 1.045 457 S CB 0.776 64.104 63.200 0.212 0.000 1.019 457 S HN 0.577 nan 8.310 nan 0.000 0.481 458 L N 4.217 125.587 121.223 0.246 0.000 2.622 458 L HA 0.314 4.668 4.340 0.023 0.000 0.233 458 L C 1.421 178.348 176.870 0.095 0.000 1.156 458 L CA 0.545 55.455 54.840 0.117 0.000 0.866 458 L CB -1.217 40.819 42.059 -0.038 0.000 0.980 458 L HN 0.992 nan 8.230 nan 0.000 0.448 459 G N -0.030 108.904 108.800 0.224 0.000 2.280 459 G HA2 -0.123 3.850 3.960 0.023 0.000 0.277 459 G HA3 -0.123 3.850 3.960 0.023 0.000 0.277 459 G C -1.622 173.462 174.900 0.306 0.000 1.288 459 G CA -0.546 44.689 45.100 0.226 0.000 1.075 459 G HN 0.176 nan 8.290 nan 0.000 0.480 460 N N 0.005 118.831 118.700 0.211 0.000 2.367 460 N HA 0.477 5.231 4.740 0.023 0.000 0.278 460 N C -0.474 174.981 175.510 -0.092 0.000 1.117 460 N CA 0.140 53.170 53.050 -0.034 0.000 0.867 460 N CB 1.636 39.826 38.487 -0.496 0.000 1.649 460 N HN 0.914 nan 8.380 nan 0.000 0.479 461 E N 0.573 120.624 120.200 -0.249 0.000 2.183 461 E HA -0.174 4.190 4.350 0.023 0.000 0.196 461 E C -0.888 175.614 176.600 -0.162 0.000 1.364 461 E CA 0.807 56.975 56.400 -0.387 0.000 0.700 461 E CB -1.279 27.921 29.700 -0.832 0.000 1.106 461 E HN 0.423 nan 8.360 nan 0.000 0.347 462 S N 0.179 115.938 115.700 0.099 0.000 2.835 462 S HA 0.417 4.901 4.470 0.023 0.000 0.248 462 S C 0.637 175.406 174.600 0.281 0.000 1.070 462 S CA -0.219 58.098 58.200 0.194 0.000 1.090 462 S CB 1.320 64.698 63.200 0.296 0.000 0.978 462 S HN 0.826 nan 8.310 nan 0.000 0.510 463 G N 2.003 110.893 108.800 0.150 0.000 2.591 463 G HA2 -0.271 3.703 3.960 0.023 0.000 0.278 463 G HA3 -0.271 3.703 3.960 0.023 0.000 0.278 463 G C -0.471 174.642 174.900 0.354 0.000 1.293 463 G CA -0.039 45.159 45.100 0.164 0.000 0.930 463 G HN 0.673 nan 8.290 nan 0.000 0.562 464 H N 0.378 119.579 119.070 0.217 0.000 2.727 464 H HA 0.579 5.148 4.556 0.022 0.000 0.330 464 H C 0.284 175.794 175.328 0.303 0.000 0.986 464 H CA -0.092 56.141 56.048 0.308 0.000 1.251 464 H CB 0.795 30.661 29.762 0.173 0.000 1.493 464 H HN 1.050 nan 8.280 nan 0.000 0.515 465 G N 1.491 110.400 108.800 0.182 0.000 2.630 465 G HA2 0.451 4.424 3.960 0.023 0.000 0.296 465 G HA3 0.451 4.424 3.960 0.023 0.000 0.296 465 G C 0.545 175.309 174.900 -0.226 0.000 1.285 465 G CA -0.170 44.850 45.100 -0.133 0.000 0.958 465 G HN 0.677 nan 8.290 nan 0.000 0.479 466 A N 0.313 123.028 122.820 -0.175 0.000 2.024 466 A HA -0.098 4.235 4.320 0.023 0.000 0.220 466 A C 2.127 179.673 177.584 -0.062 0.000 1.164 466 A CA 1.899 53.874 52.037 -0.104 0.000 0.643 466 A CB -0.428 18.537 19.000 -0.058 0.000 0.806 466 A HN 0.535 nan 8.150 nan 0.000 0.451 467 N N -0.153 118.472 118.700 -0.126 0.000 2.166 467 N HA -0.149 4.605 4.740 0.023 0.000 0.186 467 N C 1.385 176.822 175.510 -0.122 0.000 1.019 467 N CA 1.793 54.758 53.050 -0.143 0.000 0.856 467 N CB -0.684 37.678 38.487 -0.208 0.000 0.993 467 N HN 0.792 nan 8.380 nan 0.000 0.426 468 H N 0.193 119.245 119.070 -0.032 0.000 2.387 468 H HA -0.019 4.550 4.556 0.022 0.000 0.299 468 H C 1.245 176.647 175.328 0.124 0.000 1.090 468 H CA 1.188 57.231 56.048 -0.008 0.000 1.332 468 H CB 0.144 29.908 29.762 0.003 0.000 1.386 468 H HN 0.188 nan 8.280 nan 0.000 0.516 469 D N 0.414 120.971 120.400 0.261 0.000 2.117 469 D HA -0.118 4.536 4.640 0.023 0.000 0.197 469 D C 2.329 178.778 176.300 0.247 0.000 0.987 469 D CA 1.195 55.346 54.000 0.251 0.000 0.829 469 D CB -0.389 40.521 40.800 0.184 0.000 0.961 469 D HN 0.424 nan 8.370 nan 0.000 0.460 470 A N 0.800 123.714 122.820 0.157 0.000 1.902 470 A HA -0.117 4.217 4.320 0.023 0.000 0.217 470 A C 2.418 180.111 177.584 0.182 0.000 1.181 470 A CA 0.943 53.066 52.037 0.142 0.000 0.623 470 A CB -0.749 18.294 19.000 0.071 0.000 0.818 470 A HN 0.201 nan 8.150 nan 0.000 0.443 471 L N -2.110 119.207 121.223 0.156 0.000 2.109 471 L HA -0.143 4.211 4.340 0.023 0.000 0.207 471 L C 2.567 179.582 176.870 0.241 0.000 1.086 471 L CA 1.527 56.462 54.840 0.158 0.000 0.760 471 L CB -0.712 41.371 42.059 0.041 0.000 0.910 471 L HN 0.613 nan 8.230 nan 0.000 0.437 472 Y N 1.331 121.717 120.300 0.144 0.000 2.097 472 Y HA -0.344 4.216 4.550 0.016 0.000 0.282 472 Y C 2.840 178.822 175.900 0.137 0.000 1.152 472 Y CA 1.834 60.020 58.100 0.143 0.000 1.136 472 Y CB -0.173 38.374 38.460 0.145 0.000 0.975 472 Y HN -0.046 nan 8.280 nan 0.000 0.498 473 R N -0.091 120.528 120.500 0.199 0.000 2.096 473 R HA -0.209 4.145 4.340 0.023 0.000 0.235 473 R C 2.040 178.344 176.300 0.006 0.000 1.127 473 R CA 1.919 58.057 56.100 0.065 0.000 0.968 473 R CB -1.427 28.985 30.300 0.187 0.000 0.861 473 R HN 0.681 nan 8.270 nan 0.000 0.440 474 W N 0.301 121.561 121.300 -0.066 0.000 2.335 474 W HA -0.134 4.540 4.660 0.025 0.000 0.311 474 W C 1.617 178.047 176.519 -0.149 0.000 1.213 474 W CA 1.864 59.155 57.345 -0.090 0.000 1.274 474 W CB -0.220 29.192 29.460 -0.080 0.000 1.148 474 W HN 0.072 nan 8.180 nan 0.000 0.498 475 I N 0.785 121.343 120.570 -0.020 0.000 2.252 475 I HA -0.321 3.863 4.170 0.023 0.000 0.245 475 I C 2.409 178.326 176.117 -0.334 0.000 1.102 475 I CA 1.185 62.323 61.300 -0.270 0.000 1.385 475 I CB -0.671 37.241 38.000 -0.146 0.000 1.064 475 I HN -0.134 nan 8.210 nan 0.000 0.414 476 K N 0.394 120.606 120.400 -0.313 0.000 2.160 476 K HA -0.188 4.146 4.320 0.023 0.000 0.206 476 K C 2.277 178.739 176.600 -0.229 0.000 1.047 476 K CA 1.688 57.809 56.287 -0.276 0.000 0.930 476 K CB -0.557 31.738 32.500 -0.343 0.000 0.720 476 K HN 0.314 nan 8.250 nan 0.000 0.450 477 S N 0.801 116.326 115.700 -0.292 0.000 2.371 477 S HA -0.083 4.401 4.470 0.023 0.000 0.221 477 S C 2.084 176.471 174.600 -0.356 0.000 1.036 477 S CA 1.140 59.172 58.200 -0.281 0.000 0.965 477 S CB -0.212 62.847 63.200 -0.236 0.000 0.845 477 S HN 0.133 nan 8.310 nan 0.000 0.475 478 V N -0.457 119.098 119.914 -0.599 0.000 2.591 478 V HA 0.216 4.350 4.120 0.023 0.000 0.249 478 V C 0.415 176.284 176.094 -0.376 0.000 1.053 478 V CA 1.684 63.622 62.300 -0.603 0.000 1.068 478 V CB -0.565 30.665 31.823 -0.989 0.000 0.689 478 V HN 0.506 nan 8.190 nan 0.000 0.462 479 D N 0.365 120.591 120.400 -0.291 0.000 2.364 479 D HA 0.392 5.045 4.640 0.023 0.000 0.251 479 D C -2.335 173.957 176.300 -0.014 0.000 1.282 479 D CA -1.904 52.039 54.000 -0.095 0.000 0.927 479 D CB 1.662 42.498 40.800 0.060 0.000 1.267 479 D HN 0.185 nan 8.370 nan 0.000 0.531 480 P HA -0.001 nan 4.420 nan 0.000 0.242 480 P C 1.035 178.355 177.300 0.034 0.000 1.197 480 P CA 0.406 63.501 63.100 -0.009 0.000 0.765 480 P CB 0.113 31.801 31.700 -0.020 0.000 0.936 481 S N -1.491 114.240 115.700 0.051 0.000 2.562 481 S HA 0.103 4.587 4.470 0.023 0.000 0.221 481 S C 0.843 175.470 174.600 0.045 0.000 0.975 481 S CA -0.120 58.114 58.200 0.057 0.000 0.918 481 S CB -0.311 62.919 63.200 0.049 0.000 0.772 481 S HN 0.049 nan 8.310 nan 0.000 0.531 482 R N 1.120 121.655 120.500 0.059 0.000 2.574 482 R HA 0.523 4.877 4.340 0.023 0.000 0.288 482 R C -3.203 173.140 176.300 0.072 0.000 1.004 482 R CA -2.130 53.967 56.100 -0.006 0.000 0.895 482 R CB 1.639 31.826 30.300 -0.187 0.000 1.191 482 R HN 0.140 nan 8.270 nan 0.000 0.444 483 P HA 0.079 nan 4.420 nan 0.000 0.272 483 P C -0.794 176.606 177.300 0.168 0.000 1.240 483 P CA -0.369 62.791 63.100 0.101 0.000 0.791 483 P CB 0.670 32.417 31.700 0.078 0.000 0.978 484 V N 1.801 121.839 119.914 0.207 0.000 2.513 484 V HA 0.409 4.543 4.120 0.023 0.000 0.299 484 V C 0.192 176.464 176.094 0.296 0.000 1.035 484 V CA -0.285 62.185 62.300 0.284 0.000 0.889 484 V CB 1.263 33.223 31.823 0.229 0.000 0.988 484 V HN 0.602 nan 8.190 nan 0.000 0.440 485 Q N 3.521 123.482 119.800 0.268 0.000 2.458 485 Q HA 0.805 5.159 4.340 0.023 0.000 0.282 485 Q C -1.851 174.308 176.000 0.265 0.000 1.106 485 Q CA -0.936 54.992 55.803 0.209 0.000 0.814 485 Q CB 2.993 31.801 28.738 0.116 0.000 1.425 485 Q HN 0.630 nan 8.270 nan 0.000 0.437 486 Y N 0.040 120.351 120.300 0.017 0.000 2.357 486 Y HA 0.137 4.700 4.550 0.021 0.000 0.319 486 Y C -0.637 175.199 175.900 -0.108 0.000 1.225 486 Y CA -0.754 57.319 58.100 -0.045 0.000 1.095 486 Y CB 1.971 40.389 38.460 -0.070 0.000 1.302 486 Y HN 0.956 nan 8.280 nan 0.000 0.429 487 E N 3.368 123.064 120.200 -0.841 0.000 2.340 487 E HA 0.142 4.506 4.350 0.023 0.000 0.194 487 E C 0.672 176.824 176.600 -0.748 0.000 0.996 487 E CA 0.691 56.708 56.400 -0.638 0.000 0.869 487 E CB 0.292 29.750 29.700 -0.405 0.000 0.835 487 E HN 0.891 nan 8.360 nan 0.000 0.493 488 G N -0.092 107.855 108.800 -1.422 0.000 2.474 488 G HA2 0.219 4.193 3.960 0.023 0.000 0.233 488 G HA3 0.219 4.193 3.960 0.023 0.000 0.233 488 G C 0.816 175.559 174.900 -0.261 0.000 1.278 488 G CA 0.300 44.972 45.100 -0.713 0.000 0.861 488 G HN 0.338 nan 8.290 nan 0.000 0.567 489 G N -0.480 108.279 108.800 -0.070 0.000 2.153 489 G HA2 0.229 4.203 3.960 0.023 0.000 0.252 489 G HA3 0.229 4.203 3.960 0.023 0.000 0.252 489 G C 1.278 176.188 174.900 0.017 0.000 0.994 489 G CA 0.978 46.105 45.100 0.045 0.000 0.698 489 G HN 2.649 nan 8.290 nan 0.000 0.521 490 G N -1.446 107.349 108.800 -0.007 0.000 2.175 490 G HA2 0.437 4.410 3.960 0.023 0.000 0.182 490 G HA3 0.437 4.410 3.960 0.023 0.000 0.182 490 G C 1.035 176.054 174.900 0.199 0.000 1.003 490 G CA 1.236 46.395 45.100 0.098 0.000 0.666 490 G HN 2.364 nan 8.290 nan 0.000 0.506 491 A N -0.354 122.465 122.820 -0.001 0.000 3.396 491 A HA -0.111 4.223 4.320 0.023 0.000 0.267 491 A C 1.064 178.582 177.584 -0.109 0.000 1.139 491 A CA 2.559 54.533 52.037 -0.105 0.000 1.115 491 A CB -1.739 17.174 19.000 -0.144 0.000 1.133 491 A HN 2.105 nan 8.150 nan 0.000 0.920 492 D N -0.837 119.582 120.400 0.033 0.000 2.785 492 D HA 0.313 4.967 4.640 0.023 0.000 0.324 492 D C 0.388 176.684 176.300 -0.007 0.000 1.523 492 D CA 0.775 54.792 54.000 0.028 0.000 0.789 492 D CB -1.198 39.761 40.800 0.265 0.000 1.171 492 D HN 0.812 nan 8.370 nan 0.000 0.447 493 T N -2.289 112.192 114.554 -0.120 0.000 2.652 493 T HA 0.182 4.546 4.350 0.023 0.000 0.319 493 T C 1.560 176.123 174.700 -0.229 0.000 1.029 493 T CA 0.503 62.457 62.100 -0.242 0.000 0.990 493 T CB 0.685 69.146 68.868 -0.678 0.000 1.098 493 T HN 0.088 nan 8.240 nan 0.000 0.520 494 T N -2.561 111.852 114.554 -0.235 0.000 3.160 494 T HA 0.284 4.648 4.350 0.023 0.000 0.257 494 T C 1.520 175.961 174.700 -0.431 0.000 1.147 494 T CA 0.175 62.151 62.100 -0.207 0.000 1.064 494 T CB -0.398 68.431 68.868 -0.064 0.000 0.949 494 T HN 0.817 nan 8.240 nan 0.000 0.526 495 A N 0.613 123.193 122.820 -0.400 0.000 2.415 495 A HA 0.508 4.842 4.320 0.023 0.000 0.248 495 A C 0.816 178.237 177.584 -0.271 0.000 1.299 495 A CA -0.292 51.478 52.037 -0.445 0.000 0.899 495 A CB -0.005 19.003 19.000 0.014 0.000 0.997 495 A HN 0.414 nan 8.150 nan 0.000 0.506 496 T N -1.482 112.921 114.554 -0.253 0.000 2.952 496 T HA 0.361 4.725 4.350 0.023 0.000 0.305 496 T C -0.595 174.131 174.700 0.043 0.000 1.064 496 T CA -0.451 61.660 62.100 0.018 0.000 1.008 496 T CB 1.252 70.114 68.868 -0.010 0.000 1.078 496 T HN 0.084 nan 8.240 nan 0.000 0.459 497 D N 2.785 123.288 120.400 0.172 0.000 2.347 497 D HA 0.251 4.905 4.640 0.023 0.000 0.213 497 D C 0.376 176.709 176.300 0.056 0.000 0.985 497 D CA 0.788 54.874 54.000 0.143 0.000 0.879 497 D CB 0.385 41.296 40.800 0.185 0.000 0.919 497 D HN 0.545 nan 8.370 nan 0.000 0.526 498 I N 0.907 121.491 120.570 0.024 0.000 2.533 498 I HA 0.248 4.432 4.170 0.023 0.000 0.290 498 I C -0.229 175.821 176.117 -0.111 0.000 1.056 498 I CA -0.882 60.396 61.300 -0.037 0.000 1.057 498 I CB 2.844 40.836 38.000 -0.014 0.000 1.240 498 I HN -0.352 nan 8.210 nan 0.000 0.423 499 I N 5.861 126.317 120.570 -0.190 0.000 2.494 499 I HA 0.017 4.200 4.170 0.023 0.000 0.289 499 I C 0.269 176.168 176.117 -0.363 0.000 1.106 499 I CA 0.091 61.179 61.300 -0.352 0.000 1.369 499 I CB 0.046 37.732 38.000 -0.523 0.000 1.410 499 I HN 0.678 nan 8.210 nan 0.000 0.523 500 C N 5.964 125.074 119.300 -0.317 0.000 3.276 500 C HA 0.485 4.959 4.460 0.023 0.000 0.226 500 C C -2.095 172.755 174.990 -0.233 0.000 1.502 500 C CA -2.387 56.496 59.018 -0.225 0.000 1.488 500 C CB -0.989 26.682 27.740 -0.114 0.000 2.014 500 C HN 0.407 nan 8.230 nan 0.000 0.492 501 P HA 0.282 nan 4.420 nan 0.000 0.272 501 P C -0.422 176.819 177.300 -0.098 0.000 1.240 501 P CA 0.372 63.363 63.100 -0.182 0.000 0.791 501 P CB 0.772 32.375 31.700 -0.161 0.000 0.978 502 M N 0.549 120.113 119.600 -0.059 0.000 2.181 502 M HA 0.434 4.928 4.480 0.023 0.000 0.323 502 M C -0.812 175.430 176.300 -0.097 0.000 1.004 502 M CA -0.685 54.471 55.300 -0.240 0.000 0.941 502 M CB 1.183 33.621 32.600 -0.271 0.000 1.579 502 M HN 0.340 nan 8.290 nan 0.000 0.427 503 Y N -0.276 120.191 120.300 0.278 0.000 4.490 503 Y HA -0.211 4.354 4.550 0.024 0.000 0.233 503 Y C 0.500 176.569 175.900 0.282 0.000 1.101 503 Y CA 0.427 58.693 58.100 0.276 0.000 2.010 503 Y CB -2.299 36.284 38.460 0.206 0.000 1.622 503 Y HN 0.974 nan 8.280 nan 0.000 0.675 504 A N 1.312 124.337 122.820 0.341 0.000 2.488 504 A HA 0.525 4.859 4.320 0.023 0.000 0.249 504 A C 0.776 178.572 177.584 0.352 0.000 1.083 504 A CA -0.392 51.853 52.037 0.347 0.000 0.768 504 A CB 0.332 19.572 19.000 0.401 0.000 1.017 504 A HN 0.421 nan 8.150 nan 0.000 0.496 505 R N 1.552 122.188 120.500 0.226 0.000 2.583 505 R HA 0.298 4.652 4.340 0.023 0.000 0.268 505 R C 1.034 177.286 176.300 -0.080 0.000 1.101 505 R CA -0.628 55.531 56.100 0.098 0.000 1.180 505 R CB 0.435 30.763 30.300 0.047 0.000 1.128 505 R HN 0.492 nan 8.270 nan 0.000 0.568 506 V N 0.563 120.269 119.914 -0.347 0.000 2.323 506 V HA -0.179 3.955 4.120 0.023 0.000 0.244 506 V C 0.996 176.971 176.094 -0.198 0.000 1.041 506 V CA 1.834 63.905 62.300 -0.383 0.000 1.025 506 V CB -0.266 31.203 31.823 -0.590 0.000 0.656 506 V HN 0.731 nan 8.190 nan 0.000 0.451 507 D N -1.299 119.017 120.400 -0.141 0.000 2.455 507 D HA 0.088 4.742 4.640 0.023 0.000 0.228 507 D C 0.955 177.236 176.300 -0.032 0.000 1.070 507 D CA 0.078 54.031 54.000 -0.078 0.000 0.881 507 D CB 0.667 41.426 40.800 -0.069 0.000 1.087 507 D HN 0.480 nan 8.370 nan 0.000 0.498 508 E N 1.887 122.071 120.200 -0.027 0.000 2.200 508 E HA 0.103 4.467 4.350 0.023 0.000 0.283 508 E C -0.793 175.803 176.600 -0.005 0.000 1.015 508 E CA -0.560 55.833 56.400 -0.012 0.000 0.819 508 E CB 0.937 30.631 29.700 -0.011 0.000 1.081 508 E HN -0.188 nan 8.360 nan 0.000 0.397 509 D N 3.503 123.902 120.400 -0.001 0.000 2.313 509 D HA 0.132 4.786 4.640 0.023 0.000 0.247 509 D C -0.621 175.573 176.300 -0.177 0.000 1.094 509 D CA 0.138 54.132 54.000 -0.010 0.000 0.925 509 D CB 1.164 42.026 40.800 0.103 0.000 1.188 509 D HN 0.419 nan 8.370 nan 0.000 0.430 510 Q N 1.332 120.898 119.800 -0.390 0.000 2.771 510 Q HA 0.255 4.609 4.340 0.023 0.000 0.247 510 Q C -2.245 173.126 176.000 -1.048 0.000 0.986 510 Q CA -1.533 53.835 55.803 -0.726 0.000 0.713 510 Q CB 2.333 30.602 28.738 -0.782 0.000 1.241 510 Q HN 0.155 nan 8.270 nan 0.000 0.488 511 P HA 0.004 nan 4.420 nan 0.000 0.226 511 P C -0.735 176.250 177.300 -0.525 0.000 1.783 511 P CA -0.056 62.623 63.100 -0.701 0.000 0.980 511 P CB -0.551 30.957 31.700 -0.320 0.000 1.967 512 F N 1.978 121.752 119.950 -0.294 0.000 2.496 512 F HA 0.202 4.742 4.527 0.022 0.000 0.344 512 F C -1.240 174.461 175.800 -0.165 0.000 1.155 512 F CA -2.272 55.619 58.000 -0.182 0.000 1.302 512 F CB -0.644 38.267 39.000 -0.148 0.000 1.159 512 F HN 0.073 nan 8.300 nan 0.000 0.595 513 P HA 0.165 nan 4.420 nan 0.000 0.271 513 P C 0.261 177.583 177.300 0.035 0.000 1.218 513 P CA 0.855 63.979 63.100 0.041 0.000 0.780 513 P CB 1.225 32.945 31.700 0.034 0.000 0.901 514 A N 2.384 125.218 122.820 0.022 0.000 3.292 514 A HA -0.249 4.085 4.320 0.023 0.000 0.241 514 A C 0.776 178.374 177.584 0.023 0.000 0.569 514 A CA 2.181 54.235 52.037 0.029 0.000 1.149 514 A CB -2.710 16.306 19.000 0.027 0.000 1.321 514 A HN 0.648 nan 8.150 nan 0.000 0.679 515 V N -3.035 116.886 119.914 0.013 0.000 2.572 515 V HA 0.525 4.659 4.120 0.023 0.000 0.274 515 V C -2.281 173.799 176.094 -0.023 0.000 1.075 515 V CA -1.310 60.995 62.300 0.009 0.000 1.237 515 V CB 0.355 32.187 31.823 0.015 0.000 1.517 515 V HN 0.454 nan 8.190 nan 0.000 0.616 516 P HA 0.200 nan 4.420 nan 0.000 0.269 516 P C -0.551 176.310 177.300 -0.731 0.000 1.217 516 P CA 0.276 62.973 63.100 -0.671 0.000 0.783 516 P CB 0.826 31.575 31.700 -1.585 0.000 0.898 517 K N 2.004 122.008 120.400 -0.660 0.000 2.419 517 K HA 0.226 4.560 4.320 0.023 0.000 0.244 517 K C -0.464 175.816 176.600 -0.532 0.000 1.045 517 K CA -0.285 55.807 56.287 -0.324 0.000 1.004 517 K CB 0.333 32.923 32.500 0.150 0.000 1.376 517 K HN 0.448 nan 8.250 nan 0.000 0.460 518 W N 1.188 122.189 121.300 -0.498 0.000 2.129 518 W HA 0.100 4.773 4.660 0.023 0.000 0.349 518 W C 1.275 177.800 176.519 0.010 0.000 1.279 518 W CA -0.592 56.558 57.345 -0.325 0.000 1.306 518 W CB 0.437 29.549 29.460 -0.579 0.000 1.140 518 W HN 0.344 nan 8.180 nan 0.000 0.613 519 S N 2.642 118.495 115.700 0.255 0.000 2.558 519 S HA -0.082 4.402 4.470 0.023 0.000 0.293 519 S C 1.180 175.926 174.600 0.242 0.000 1.292 519 S CA -0.140 58.154 58.200 0.156 0.000 1.063 519 S CB 0.086 63.329 63.200 0.070 0.000 0.831 519 S HN 0.509 nan 8.310 nan 0.000 0.499 520 I N 2.275 122.947 120.570 0.171 0.000 2.286 520 I HA -0.135 4.049 4.170 0.023 0.000 0.248 520 I C 2.109 178.258 176.117 0.054 0.000 1.115 520 I CA 1.251 62.656 61.300 0.174 0.000 1.392 520 I CB -0.430 37.613 38.000 0.071 0.000 1.065 520 I HN 0.588 nan 8.210 nan 0.000 0.418 521 K N 1.533 121.863 120.400 -0.118 0.000 2.057 521 K HA -0.181 4.153 4.320 0.023 0.000 0.207 521 K C 2.319 178.924 176.600 0.009 0.000 1.049 521 K CA 1.865 58.002 56.287 -0.250 0.000 0.931 521 K CB -0.186 32.108 32.500 -0.342 0.000 0.714 521 K HN 0.367 nan 8.250 nan 0.000 0.440 522 K N -0.048 120.378 120.400 0.044 0.000 2.103 522 K HA -0.177 4.157 4.320 0.023 0.000 0.204 522 K C 1.930 178.571 176.600 0.069 0.000 1.052 522 K CA 0.960 57.264 56.287 0.028 0.000 0.945 522 K CB -0.108 32.376 32.500 -0.026 0.000 0.722 522 K HN 0.217 nan 8.250 nan 0.000 0.443 523 W N 2.079 123.378 121.300 -0.002 0.000 2.321 523 W HA -0.206 4.466 4.660 0.020 0.000 0.306 523 W C 1.607 178.116 176.519 -0.016 0.000 1.217 523 W CA 1.256 58.613 57.345 0.019 0.000 1.257 523 W CB -0.649 28.895 29.460 0.140 0.000 1.145 523 W HN 0.101 nan 8.180 nan 0.000 0.509 524 L N 0.771 122.158 121.223 0.273 0.000 2.127 524 L HA -0.232 4.121 4.340 0.023 0.000 0.211 524 L C 2.201 179.143 176.870 0.120 0.000 1.089 524 L CA 1.895 56.829 54.840 0.157 0.000 0.757 524 L CB -0.969 41.167 42.059 0.128 0.000 0.899 524 L HN -0.023 nan 8.230 nan 0.000 0.434 525 S N -1.407 114.349 115.700 0.093 0.000 2.572 525 S HA 0.270 4.754 4.470 0.023 0.000 0.228 525 S C 0.566 175.160 174.600 -0.009 0.000 0.963 525 S CA -0.548 57.676 58.200 0.040 0.000 0.939 525 S CB -0.410 62.810 63.200 0.034 0.000 0.804 525 S HN 0.144 nan 8.310 nan 0.000 0.480 526 L N 1.956 123.169 121.223 -0.018 0.000 2.506 526 L HA 0.198 4.552 4.340 0.023 0.000 0.281 526 L C -2.196 174.644 176.870 -0.050 0.000 1.228 526 L CA -1.593 53.185 54.840 -0.102 0.000 0.850 526 L CB -0.388 41.581 42.059 -0.150 0.000 1.110 526 L HN 0.014 nan 8.230 nan 0.000 0.496 527 P HA -0.051 nan 4.420 nan 0.000 0.260 527 P C 0.772 178.064 177.300 -0.013 0.000 1.172 527 P CA 1.211 64.287 63.100 -0.041 0.000 0.760 527 P CB 0.522 32.193 31.700 -0.050 0.000 0.773 528 G N 1.851 110.650 108.800 -0.001 0.000 2.245 528 G HA2 -0.302 3.672 3.960 0.023 0.000 0.264 528 G HA3 -0.302 3.672 3.960 0.023 0.000 0.264 528 G C 0.333 175.248 174.900 0.026 0.000 0.985 528 G CA 0.337 45.444 45.100 0.012 0.000 0.625 528 G HN 0.626 nan 8.290 nan 0.000 0.536 529 E N 1.005 121.226 120.200 0.036 0.000 2.360 529 E HA 0.563 4.927 4.350 0.023 0.000 0.269 529 E C 1.364 177.990 176.600 0.043 0.000 1.022 529 E CA 0.798 57.233 56.400 0.057 0.000 0.887 529 E CB 0.735 30.498 29.700 0.104 0.000 0.990 529 E HN 0.590 nan 8.360 nan 0.000 0.426 530 T N 0.563 115.138 114.554 0.035 0.000 3.130 530 T HA 0.316 4.680 4.350 0.023 0.000 0.288 530 T C 0.487 175.196 174.700 0.015 0.000 0.936 530 T CA -0.476 61.639 62.100 0.025 0.000 0.897 530 T CB 0.057 68.938 68.868 0.022 0.000 1.178 530 T HN 0.278 nan 8.240 nan 0.000 0.543 531 R N 2.331 122.836 120.500 0.007 0.000 2.637 531 R HA 0.487 4.841 4.340 0.023 0.000 0.269 531 R C -2.533 173.745 176.300 -0.036 0.000 1.089 531 R CA -1.819 54.274 56.100 -0.012 0.000 1.177 531 R CB 0.075 30.361 30.300 -0.023 0.000 1.091 531 R HN 0.242 nan 8.270 nan 0.000 0.540 532 P HA 0.117 nan 4.420 nan 0.000 0.276 532 P C -1.092 176.136 177.300 -0.120 0.000 1.252 532 P CA -0.213 62.844 63.100 -0.072 0.000 0.802 532 P CB 0.753 32.411 31.700 -0.070 0.000 1.035 533 L N 2.364 123.494 121.223 -0.155 0.000 2.349 533 L HA 0.574 4.928 4.340 0.023 0.000 0.278 533 L C -1.049 175.672 176.870 -0.249 0.000 0.996 533 L CA -0.670 54.038 54.840 -0.221 0.000 0.825 533 L CB 0.605 42.526 42.059 -0.231 0.000 1.243 533 L HN 0.234 nan 8.230 nan 0.000 0.412 534 I N 5.698 126.128 120.570 -0.233 0.000 2.497 534 I HA 0.256 4.439 4.170 0.023 0.000 0.284 534 I C -0.713 175.306 176.117 -0.163 0.000 1.060 534 I CA -0.521 60.624 61.300 -0.258 0.000 1.071 534 I CB 1.987 39.894 38.000 -0.156 0.000 1.216 534 I HN 0.480 nan 8.210 nan 0.000 0.442 535 L N 5.494 126.590 121.223 -0.212 0.000 2.455 535 L HA 0.018 4.371 4.340 0.023 0.000 0.272 535 L C 1.463 178.420 176.870 0.144 0.000 1.174 535 L CA -0.064 54.728 54.840 -0.080 0.000 0.869 535 L CB 0.633 42.621 42.059 -0.118 0.000 1.130 535 L HN 0.858 nan 8.230 nan 0.000 0.474 536 C N -0.017 119.351 119.300 0.112 0.000 2.468 536 C HA 0.195 4.669 4.460 0.023 0.000 0.277 536 C C 0.623 175.772 174.990 0.263 0.000 1.400 536 C CA -0.287 58.849 59.018 0.196 0.000 1.770 536 C CB -1.042 26.718 27.740 0.034 0.000 1.905 536 C HN 0.818 nan 8.230 nan 0.000 0.519 537 E N -0.737 119.541 120.200 0.129 0.000 2.321 537 E HA 0.625 4.988 4.350 0.023 0.000 0.278 537 E C -1.377 175.170 176.600 -0.088 0.000 0.902 537 E CA -0.411 56.044 56.400 0.092 0.000 0.758 537 E CB 2.105 31.671 29.700 -0.223 0.000 1.213 537 E HN 0.660 nan 8.360 nan 0.000 0.426 538 Y N -1.083 119.208 120.300 -0.015 0.000 2.713 538 Y HA 0.610 5.174 4.550 0.024 0.000 0.335 538 Y C -0.847 175.229 175.900 0.293 0.000 1.222 538 Y CA -0.897 57.205 58.100 0.004 0.000 1.061 538 Y CB 0.748 39.044 38.460 -0.274 0.000 1.314 538 Y HN 0.658 nan 8.280 nan 0.000 0.453 539 A N 2.063 124.944 122.820 0.102 0.000 2.136 539 A HA -0.267 4.067 4.320 0.023 0.000 0.274 539 A C -0.371 177.331 177.584 0.196 0.000 1.388 539 A CA 1.118 53.215 52.037 0.100 0.000 0.741 539 A CB -2.329 16.631 19.000 -0.065 0.000 1.173 539 A HN 1.114 nan 8.150 nan 0.000 0.329 540 H N 1.163 120.380 119.070 0.246 0.000 3.215 540 H HA 0.294 4.863 4.556 0.023 0.000 0.253 540 H C 1.033 176.411 175.328 0.083 0.000 1.102 540 H CA 0.805 57.011 56.048 0.264 0.000 1.482 540 H CB 0.332 30.139 29.762 0.075 0.000 1.542 540 H HN 0.800 nan 8.280 nan 0.000 0.498 541 A N 6.723 129.438 122.820 -0.175 0.000 2.916 541 A HA 0.067 4.401 4.320 0.023 0.000 0.254 541 A C 0.899 178.258 177.584 -0.375 0.000 1.544 541 A CA -0.418 51.459 52.037 -0.267 0.000 1.224 541 A CB -0.710 18.105 19.000 -0.308 0.000 1.012 541 A HN 0.812 nan 8.150 nan 0.000 0.636 542 M N 1.559 120.975 119.600 -0.307 0.000 2.156 542 M HA 0.443 4.936 4.480 0.023 0.000 0.345 542 M C 0.971 177.070 176.300 -0.335 0.000 1.398 542 M CA 1.294 56.416 55.300 -0.297 0.000 1.148 542 M CB -0.245 32.291 32.600 -0.106 0.000 1.663 542 M HN 0.857 nan 8.290 nan 0.000 0.464 543 G N 4.199 112.761 108.800 -0.396 0.000 2.547 543 G HA2 -0.331 3.643 3.960 0.023 0.000 0.271 543 G HA3 -0.331 3.643 3.960 0.023 0.000 0.271 543 G C -0.306 174.107 174.900 -0.813 0.000 1.209 543 G CA -0.025 44.750 45.100 -0.541 0.000 0.959 543 G HN 0.840 nan 8.290 nan 0.000 0.563 544 N N 1.167 119.256 118.700 -1.018 0.000 2.448 544 N HA 0.514 5.268 4.740 0.023 0.000 0.250 544 N C -0.022 175.225 175.510 -0.438 0.000 1.136 544 N CA 1.050 53.635 53.050 -0.774 0.000 0.953 544 N CB 0.630 38.686 38.487 -0.718 0.000 1.251 544 N HN 0.901 nan 8.380 nan 0.000 0.502 545 S N 2.410 117.929 115.700 -0.303 0.000 2.880 545 S HA 0.616 5.100 4.470 0.023 0.000 0.308 545 S C -0.292 174.224 174.600 -0.140 0.000 1.195 545 S CA -0.360 57.714 58.200 -0.210 0.000 0.866 545 S CB 0.136 63.221 63.200 -0.193 0.000 1.254 545 S HN 0.383 nan 8.310 nan 0.000 0.571 546 L N 0.122 121.303 121.223 -0.070 0.000 4.447 546 L HA -0.034 4.320 4.340 0.023 0.000 0.400 546 L C 0.489 177.404 176.870 0.076 0.000 1.110 546 L CA 0.886 55.726 54.840 0.000 0.000 1.010 546 L CB -1.687 40.285 42.059 -0.145 0.000 2.154 546 L HN 0.785 nan 8.230 nan 0.000 0.685 547 G N -0.765 108.044 108.800 0.015 0.000 2.398 547 G HA2 0.476 4.450 3.960 0.023 0.000 0.246 547 G HA3 0.476 4.450 3.960 0.023 0.000 0.246 547 G C 1.230 176.181 174.900 0.084 0.000 1.289 547 G CA 0.181 45.271 45.100 -0.016 0.000 0.869 547 G HN 1.423 nan 8.290 nan 0.000 0.543 548 G N 1.568 110.416 108.800 0.081 0.000 2.157 548 G HA2 -0.317 3.656 3.960 0.023 0.000 0.248 548 G HA3 -0.317 3.656 3.960 0.023 0.000 0.248 548 G C 1.003 176.091 174.900 0.312 0.000 0.979 548 G CA 0.770 45.973 45.100 0.171 0.000 0.650 548 G HN 0.801 nan 8.290 nan 0.000 0.529 549 F N 1.854 121.930 119.950 0.209 0.000 2.126 549 F HA 0.077 4.618 4.527 0.023 0.000 0.299 549 F C 2.686 178.702 175.800 0.359 0.000 1.096 549 F CA 2.602 60.798 58.000 0.327 0.000 1.255 549 F CB -0.526 38.599 39.000 0.209 0.000 0.997 549 F HN 0.364 nan 8.300 nan 0.000 0.479 550 A N -0.320 122.666 122.820 0.277 0.000 2.024 550 A HA -0.254 4.080 4.320 0.023 0.000 0.220 550 A C 2.294 179.894 177.584 0.027 0.000 1.164 550 A CA 1.792 53.917 52.037 0.147 0.000 0.643 550 A CB -0.853 18.240 19.000 0.156 0.000 0.806 550 A HN 0.480 nan 8.150 nan 0.000 0.451 551 K N -1.562 118.841 120.400 0.004 0.000 2.097 551 K HA -0.189 4.144 4.320 0.023 0.000 0.206 551 K C 1.701 178.078 176.600 -0.371 0.000 1.049 551 K CA 1.684 57.890 56.287 -0.135 0.000 0.933 551 K CB -0.327 32.101 32.500 -0.120 0.000 0.717 551 K HN 0.567 nan 8.250 nan 0.000 0.442 552 Y N -0.738 119.287 120.300 -0.459 0.000 2.145 552 Y HA -0.242 4.321 4.550 0.022 0.000 0.286 552 Y C 2.037 176.967 175.900 -1.617 0.000 1.145 552 Y CA 1.683 59.141 58.100 -1.070 0.000 1.148 552 Y CB -0.418 37.379 38.460 -1.106 0.000 0.981 552 Y HN 0.174 nan 8.280 nan 0.000 0.507 553 W N -0.008 120.840 121.300 -0.754 0.000 2.363 553 W HA -0.208 4.467 4.660 0.024 0.000 0.296 553 W C 2.622 178.951 176.519 -0.316 0.000 1.212 553 W CA 1.545 58.583 57.345 -0.512 0.000 1.260 553 W CB -0.582 28.673 29.460 -0.343 0.000 1.131 553 W HN 0.057 nan 8.180 nan 0.000 0.530 554 Q N 0.667 120.371 119.800 -0.159 0.000 2.119 554 Q HA -0.154 4.199 4.340 0.023 0.000 0.201 554 Q C 2.192 178.117 176.000 -0.124 0.000 0.972 554 Q CA 1.938 57.685 55.803 -0.092 0.000 0.847 554 Q CB -0.509 28.186 28.738 -0.072 0.000 0.903 554 Q HN 0.282 nan 8.270 nan 0.000 0.433 555 A N -0.162 122.487 122.820 -0.284 0.000 1.898 555 A HA -0.089 4.244 4.320 0.023 0.000 0.216 555 A C 1.996 179.518 177.584 -0.103 0.000 1.181 555 A CA 0.899 52.791 52.037 -0.242 0.000 0.620 555 A CB -0.959 17.778 19.000 -0.437 0.000 0.819 555 A HN 0.455 nan 8.150 nan 0.000 0.442 556 F N -0.327 119.431 119.950 -0.320 0.000 2.134 556 F HA -0.192 4.349 4.527 0.024 0.000 0.299 556 F C 2.750 178.442 175.800 -0.182 0.000 1.097 556 F CA 1.058 58.842 58.000 -0.360 0.000 1.264 556 F CB -0.187 38.380 39.000 -0.723 0.000 1.001 556 F HN 0.141 nan 8.300 nan 0.000 0.479 557 R N 0.138 120.673 120.500 0.059 0.000 2.092 557 R HA -0.183 4.171 4.340 0.023 0.000 0.231 557 R C 2.141 178.473 176.300 0.054 0.000 1.119 557 R CA 1.348 57.478 56.100 0.049 0.000 0.970 557 R CB -0.446 29.877 30.300 0.039 0.000 0.864 557 R HN 0.373 nan 8.270 nan 0.000 0.440 558 Q N -0.360 119.499 119.800 0.098 0.000 2.187 558 Q HA -0.070 4.284 4.340 0.023 0.000 0.199 558 Q C -0.432 175.622 176.000 0.090 0.000 0.957 558 Q CA 0.970 56.836 55.803 0.105 0.000 0.857 558 Q CB 0.347 29.192 28.738 0.179 0.000 0.929 558 Q HN 0.191 nan 8.270 nan 0.000 0.453 559 Y N 0.197 120.475 120.300 -0.038 0.000 2.353 559 Y HA 0.253 4.816 4.550 0.021 0.000 0.340 559 Y C -1.759 174.112 175.900 -0.048 0.000 0.972 559 Y CA -2.829 55.249 58.100 -0.037 0.000 1.157 559 Y CB 1.390 39.833 38.460 -0.030 0.000 1.157 559 Y HN 0.132 nan 8.280 nan 0.000 0.495 560 P HA -0.194 nan 4.420 nan 0.000 0.216 560 P C 1.128 178.427 177.300 -0.002 0.000 1.154 560 P CA 1.842 64.941 63.100 -0.001 0.000 0.865 560 P CB 0.311 31.995 31.700 -0.027 0.000 0.789 561 R N -1.254 119.265 120.500 0.032 0.000 2.276 561 R HA 0.090 4.444 4.340 0.023 0.000 0.203 561 R C 0.521 176.800 176.300 -0.034 0.000 1.017 561 R CA 0.173 56.275 56.100 0.002 0.000 1.010 561 R CB -0.437 29.875 30.300 0.020 0.000 0.900 561 R HN 0.244 nan 8.270 nan 0.000 0.469 562 L N 1.804 123.023 121.223 -0.006 0.000 2.282 562 L HA 0.149 4.503 4.340 0.023 0.000 0.287 562 L C 0.574 177.296 176.870 -0.246 0.000 1.075 562 L CA 0.132 54.911 54.840 -0.102 0.000 0.839 562 L CB 1.208 43.270 42.059 0.006 0.000 1.219 562 L HN 0.075 nan 8.230 nan 0.000 0.434 563 Q N 2.784 122.356 119.800 -0.379 0.000 2.189 563 Q HA 0.312 4.665 4.340 0.023 0.000 0.221 563 Q C 0.798 176.389 176.000 -0.682 0.000 0.848 563 Q CA 0.096 55.648 55.803 -0.418 0.000 1.007 563 Q CB 1.154 29.736 28.738 -0.260 0.000 1.116 563 Q HN 0.971 nan 8.270 nan 0.000 0.481 564 G N -0.256 107.764 108.800 -1.301 0.000 2.418 564 G HA2 0.091 4.065 3.960 0.023 0.000 0.206 564 G HA3 0.091 4.065 3.960 0.023 0.000 0.206 564 G C -0.300 173.743 174.900 -1.429 0.000 1.202 564 G CA -0.731 43.206 45.100 -1.939 0.000 1.061 564 G HN 0.552 nan 8.290 nan 0.000 0.563 565 G N -2.162 106.124 108.800 -0.856 0.000 2.349 565 G HA2 0.649 4.622 3.960 0.023 0.000 0.294 565 G HA3 0.649 4.622 3.960 0.023 0.000 0.294 565 G C -1.832 173.033 174.900 -0.058 0.000 1.380 565 G CA -0.304 44.534 45.100 -0.437 0.000 0.811 565 G HN 1.129 nan 8.290 nan 0.000 0.519 566 F N 0.694 120.905 119.950 0.434 0.000 2.403 566 F HA 0.523 5.062 4.527 0.021 0.000 0.355 566 F C 0.783 176.852 175.800 0.449 0.000 1.119 566 F CA -0.766 57.492 58.000 0.430 0.000 1.007 566 F CB 1.999 41.155 39.000 0.261 0.000 1.194 566 F HN 0.251 nan 8.300 nan 0.000 0.443 567 V N 3.259 123.454 119.914 0.468 0.000 2.999 567 V HA -0.126 4.007 4.120 0.023 0.000 0.307 567 V C -0.275 175.965 176.094 0.244 0.000 1.084 567 V CA -0.222 62.139 62.300 0.101 0.000 1.155 567 V CB 0.842 32.743 31.823 0.130 0.000 0.975 567 V HN 0.762 nan 8.190 nan 0.000 0.490 568 W N 6.254 127.622 121.300 0.113 0.000 2.318 568 W HA 0.463 5.137 4.660 0.022 0.000 0.315 568 W C -0.860 175.650 176.519 -0.015 0.000 1.033 568 W CA -0.681 56.763 57.345 0.165 0.000 1.275 568 W CB 1.321 31.038 29.460 0.429 0.000 1.250 568 W HN 0.902 nan 8.180 nan 0.000 0.421 569 D N 3.067 123.179 120.400 -0.480 0.000 2.812 569 D HA 0.091 4.745 4.640 0.023 0.000 0.318 569 D C 0.638 176.728 176.300 -0.349 0.000 1.234 569 D CA -0.559 53.036 54.000 -0.675 0.000 0.989 569 D CB 0.227 40.058 40.800 -1.616 0.000 1.442 569 D HN 0.430 nan 8.370 nan 0.000 0.537 570 W N 0.653 121.678 121.300 -0.458 0.000 2.380 570 W HA 0.116 4.790 4.660 0.023 0.000 0.317 570 W C -0.140 176.221 176.519 -0.263 0.000 1.196 570 W CA 1.202 58.341 57.345 -0.343 0.000 1.307 570 W CB 0.309 29.581 29.460 -0.313 0.000 1.157 570 W HN 0.162 nan 8.180 nan 0.000 0.483 571 V N 2.632 122.345 119.914 -0.335 0.000 2.735 571 V HA 0.259 4.393 4.120 0.023 0.000 0.310 571 V C -0.869 175.075 176.094 -0.251 0.000 1.061 571 V CA -0.802 61.274 62.300 -0.373 0.000 0.913 571 V CB 1.551 33.247 31.823 -0.211 0.000 1.005 571 V HN -0.102 nan 8.190 nan 0.000 0.428 572 D N 3.876 124.156 120.400 -0.201 0.000 2.488 572 D HA 0.131 4.785 4.640 0.023 0.000 0.238 572 D C 0.199 176.351 176.300 -0.247 0.000 1.138 572 D CA 0.635 54.537 54.000 -0.162 0.000 0.873 572 D CB 0.854 41.657 40.800 0.004 0.000 1.183 572 D HN 0.625 nan 8.370 nan 0.000 0.458 573 Q N 1.057 120.624 119.800 -0.388 0.000 3.135 573 Q HA 0.164 4.518 4.340 0.023 0.000 0.344 573 Q C -0.207 175.738 176.000 -0.091 0.000 1.321 573 Q CA -0.381 54.920 55.803 -0.837 0.000 1.050 573 Q CB 0.125 28.512 28.738 -0.586 0.000 1.498 573 Q HN 0.355 nan 8.270 nan 0.000 0.503 574 S N -0.058 115.713 115.700 0.119 0.000 2.616 574 S HA 0.652 5.136 4.470 0.023 0.000 0.277 574 S C -0.140 174.651 174.600 0.317 0.000 1.234 574 S CA -0.778 57.609 58.200 0.312 0.000 1.028 574 S CB 1.513 64.873 63.200 0.267 0.000 0.988 574 S HN 0.346 nan 8.310 nan 0.000 0.522 575 L N 1.595 122.944 121.223 0.210 0.000 2.333 575 L HA 0.532 4.885 4.340 0.023 0.000 0.269 575 L C -0.430 176.376 176.870 -0.107 0.000 1.010 575 L CA -1.253 53.587 54.840 -0.001 0.000 0.818 575 L CB 1.473 43.417 42.059 -0.192 0.000 1.306 575 L HN 0.560 nan 8.230 nan 0.000 0.430 576 I N 2.280 122.725 120.570 -0.208 0.000 2.441 576 I HA 0.237 4.421 4.170 0.023 0.000 0.287 576 I C 0.081 175.835 176.117 -0.606 0.000 1.049 576 I CA 0.074 61.118 61.300 -0.426 0.000 1.381 576 I CB 0.893 38.650 38.000 -0.406 0.000 1.409 576 I HN 0.558 nan 8.210 nan 0.000 0.523 577 K N 5.406 125.146 120.400 -1.100 0.000 2.395 577 K HA 0.562 4.896 4.320 0.023 0.000 0.247 577 K C -1.562 174.211 176.600 -1.378 0.000 0.973 577 K CA -0.715 54.828 56.287 -1.239 0.000 0.828 577 K CB 2.507 33.955 32.500 -1.752 0.000 1.272 577 K HN 0.216 nan 8.250 nan 0.000 0.439 578 Y N 0.655 120.668 120.300 -0.478 0.000 2.468 578 Y HA 0.147 4.711 4.550 0.023 0.000 0.342 578 Y C 0.289 176.236 175.900 0.079 0.000 1.021 578 Y CA -0.952 57.042 58.100 -0.177 0.000 1.079 578 Y CB 1.276 39.678 38.460 -0.097 0.000 1.226 578 Y HN 0.697 nan 8.280 nan 0.000 0.460 579 D N -0.283 120.322 120.400 0.341 0.000 2.478 579 D HA 0.026 4.680 4.640 0.023 0.000 0.274 579 D C 0.974 177.383 176.300 0.181 0.000 1.234 579 D CA -0.322 53.855 54.000 0.295 0.000 1.069 579 D CB 0.247 41.182 40.800 0.225 0.000 1.113 579 D HN 0.748 nan 8.370 nan 0.000 0.571 580 E N -0.803 119.469 120.200 0.120 0.000 2.204 580 E HA -0.224 4.140 4.350 0.023 0.000 0.195 580 E C 0.707 177.346 176.600 0.065 0.000 0.990 580 E CA 0.848 57.293 56.400 0.076 0.000 0.821 580 E CB -0.366 29.363 29.700 0.047 0.000 0.750 580 E HN 0.269 nan 8.360 nan 0.000 0.477 581 N N 0.230 118.976 118.700 0.078 0.000 2.336 581 N HA 0.060 4.813 4.740 0.023 0.000 0.189 581 N C 0.876 176.431 175.510 0.075 0.000 1.113 581 N CA 0.916 54.003 53.050 0.062 0.000 0.858 581 N CB 1.192 39.715 38.487 0.059 0.000 0.970 581 N HN 0.471 nan 8.380 nan 0.000 0.471 582 G N 0.629 109.499 108.800 0.117 0.000 2.175 582 G HA2 -0.237 3.737 3.960 0.023 0.000 0.244 582 G HA3 -0.237 3.737 3.960 0.023 0.000 0.244 582 G C -0.142 174.909 174.900 0.252 0.000 0.982 582 G CA -0.434 44.748 45.100 0.136 0.000 0.641 582 G HN 0.258 nan 8.290 nan 0.000 0.527 583 N N 2.189 121.016 118.700 0.211 0.000 2.514 583 N HA 0.438 5.192 4.740 0.023 0.000 0.277 583 N C -2.389 173.222 175.510 0.168 0.000 1.126 583 N CA -0.953 52.206 53.050 0.183 0.000 0.978 583 N CB 1.625 40.195 38.487 0.138 0.000 1.106 583 N HN 0.233 nan 8.380 nan 0.000 0.461 584 P HA 0.289 nan 4.420 nan 0.000 0.277 584 P C -0.511 176.684 177.300 -0.175 0.000 1.240 584 P CA -0.404 62.471 63.100 -0.376 0.000 0.798 584 P CB 0.810 32.300 31.700 -0.350 0.000 0.979 585 W N -0.768 120.265 121.300 -0.445 0.000 3.107 585 W HA 0.448 5.122 4.660 0.023 0.000 0.331 585 W C -1.505 174.815 176.519 -0.331 0.000 1.204 585 W CA -1.067 56.029 57.345 -0.416 0.000 1.184 585 W CB 0.456 29.437 29.460 -0.799 0.000 1.421 585 W HN 0.116 nan 8.180 nan 0.000 0.544 586 S N 1.697 117.507 115.700 0.182 0.000 2.474 586 S HA 0.581 5.065 4.470 0.023 0.000 0.276 586 S C 0.148 174.977 174.600 0.381 0.000 1.227 586 S CA -0.248 58.055 58.200 0.172 0.000 1.050 586 S CB 0.933 64.259 63.200 0.210 0.000 0.939 586 S HN 0.601 nan 8.310 nan 0.000 0.490 587 A N 2.959 125.867 122.820 0.146 0.000 2.337 587 A HA 0.879 5.213 4.320 0.023 0.000 0.331 587 A C -0.758 177.097 177.584 0.450 0.000 1.137 587 A CA -0.739 51.424 52.037 0.210 0.000 0.807 587 A CB 0.717 19.572 19.000 -0.243 0.000 1.250 587 A HN 0.837 nan 8.150 nan 0.000 0.468 588 Y N -0.632 119.994 120.300 0.544 0.000 2.857 588 Y HA 0.776 5.340 4.550 0.023 0.000 0.318 588 Y C 0.587 176.834 175.900 0.579 0.000 1.313 588 Y CA -1.516 56.886 58.100 0.504 0.000 1.117 588 Y CB -0.033 38.547 38.460 0.199 0.000 1.344 588 Y HN 0.950 nan 8.280 nan 0.000 0.525 589 G N -0.102 109.073 108.800 0.624 0.000 2.287 589 G HA2 0.374 4.348 3.960 0.023 0.000 0.235 589 G HA3 0.374 4.348 3.960 0.023 0.000 0.235 589 G C 0.944 176.173 174.900 0.548 0.000 1.258 589 G CA 0.491 45.895 45.100 0.507 0.000 0.884 589 G HN 2.006 nan 8.290 nan 0.000 0.518 590 G N 2.076 111.168 108.800 0.487 0.000 2.299 590 G HA2 -0.289 3.684 3.960 0.023 0.000 0.237 590 G HA3 -0.289 3.684 3.960 0.023 0.000 0.237 590 G C 0.958 176.052 174.900 0.323 0.000 1.027 590 G CA 0.705 46.025 45.100 0.366 0.000 0.619 590 G HN 0.641 nan 8.290 nan 0.000 0.513 591 D N -0.033 120.567 120.400 0.333 0.000 2.378 591 D HA 0.091 4.745 4.640 0.023 0.000 0.222 591 D C 1.357 177.496 176.300 -0.268 0.000 0.980 591 D CA 0.668 54.682 54.000 0.023 0.000 0.907 591 D CB -0.196 40.556 40.800 -0.080 0.000 0.899 591 D HN 0.500 nan 8.370 nan 0.000 0.527 592 F N -0.927 119.154 119.950 0.218 0.000 2.683 592 F HA 0.313 4.853 4.527 0.023 0.000 0.306 592 F C 1.717 177.602 175.800 0.142 0.000 1.102 592 F CA -0.144 57.938 58.000 0.137 0.000 1.244 592 F CB 0.937 40.009 39.000 0.120 0.000 1.029 592 F HN -0.043 nan 8.300 nan 0.000 0.545 593 G N 0.484 109.445 108.800 0.268 0.000 2.157 593 G HA2 -0.257 3.716 3.960 0.023 0.000 0.248 593 G HA3 -0.257 3.716 3.960 0.023 0.000 0.248 593 G C -0.341 174.697 174.900 0.231 0.000 0.979 593 G CA 0.048 45.272 45.100 0.207 0.000 0.650 593 G HN 0.366 nan 8.290 nan 0.000 0.529 594 D N 0.516 121.103 120.400 0.312 0.000 2.390 594 D HA 0.526 5.180 4.640 0.023 0.000 0.249 594 D C 0.152 176.577 176.300 0.209 0.000 1.144 594 D CA 0.821 54.992 54.000 0.285 0.000 0.880 594 D CB 1.660 42.694 40.800 0.389 0.000 1.182 594 D HN 0.324 nan 8.370 nan 0.000 0.451 595 T N 0.938 115.585 114.554 0.155 0.000 3.012 595 T HA 0.443 4.807 4.350 0.023 0.000 0.330 595 T C -2.746 171.996 174.700 0.069 0.000 1.321 595 T CA -1.143 61.020 62.100 0.104 0.000 1.067 595 T CB 1.121 70.049 68.868 0.099 0.000 1.235 595 T HN 0.212 nan 8.240 nan 0.000 0.479 596 P HA 0.447 nan 4.420 nan 0.000 0.273 596 P C -0.831 176.467 177.300 -0.004 0.000 1.250 596 P CA -0.478 62.628 63.100 0.011 0.000 0.793 596 P CB 0.417 32.097 31.700 -0.034 0.000 1.011 597 N N -1.045 117.649 118.700 -0.010 0.000 2.853 597 N HA 0.179 4.932 4.740 0.023 0.000 0.258 597 N C -1.254 174.207 175.510 -0.082 0.000 1.444 597 N CA -0.607 52.412 53.050 -0.052 0.000 0.837 597 N CB 1.462 40.013 38.487 0.106 0.000 1.489 597 N HN 0.195 nan 8.380 nan 0.000 0.529 598 D N 0.083 120.385 120.400 -0.163 0.000 2.643 598 D HA 0.112 4.766 4.640 0.023 0.000 0.244 598 D C 0.738 177.228 176.300 0.316 0.000 1.257 598 D CA -0.193 53.784 54.000 -0.038 0.000 0.831 598 D CB 0.802 41.433 40.800 -0.282 0.000 1.043 598 D HN 0.618 nan 8.370 nan 0.000 0.488 599 R N 0.882 121.568 120.500 0.311 0.000 3.657 599 R HA -0.327 4.027 4.340 0.023 0.000 0.533 599 R C 1.260 177.583 176.300 0.038 0.000 0.241 599 R CA 1.478 57.744 56.100 0.277 0.000 1.659 599 R CB -1.601 28.767 30.300 0.113 0.000 0.920 599 R HN 0.138 nan 8.270 nan 0.000 0.599 600 Q N 1.452 120.936 119.800 -0.527 0.000 2.515 600 Q HA -0.048 4.306 4.340 0.023 0.000 0.212 600 Q C 1.715 177.442 176.000 -0.455 0.000 0.970 600 Q CA 1.599 56.921 55.803 -0.801 0.000 0.941 600 Q CB -0.100 27.960 28.738 -1.130 0.000 0.998 600 Q HN 0.621 nan 8.270 nan 0.000 0.518 601 F N 1.623 121.483 119.950 -0.149 0.000 2.583 601 F HA -0.131 4.410 4.527 0.023 0.000 0.297 601 F C 2.162 177.900 175.800 -0.103 0.000 1.131 601 F CA 1.060 59.052 58.000 -0.014 0.000 1.467 601 F CB -0.096 38.962 39.000 0.098 0.000 1.097 601 F HN 0.405 nan 8.300 nan 0.000 0.586 602 C N -1.429 117.590 119.300 -0.467 0.000 2.626 602 C HA 0.248 4.722 4.460 0.023 0.000 0.266 602 C C 0.960 175.745 174.990 -0.342 0.000 1.317 602 C CA -0.522 58.046 59.018 -0.750 0.000 1.716 602 C CB -1.581 25.186 27.740 -1.622 0.000 1.819 602 C HN 0.178 nan 8.230 nan 0.000 0.578 603 M N 2.601 122.055 119.600 -0.243 0.000 2.060 603 M HA 0.286 4.780 4.480 0.023 0.000 0.342 603 M C -0.521 175.653 176.300 -0.211 0.000 1.031 603 M CA 0.343 55.533 55.300 -0.183 0.000 0.981 603 M CB 0.022 32.559 32.600 -0.104 0.000 1.376 603 M HN 0.348 nan 8.290 nan 0.000 0.397 604 N N 0.863 119.426 118.700 -0.228 0.000 2.305 604 N HA 0.209 4.963 4.740 0.023 0.000 0.248 604 N C 0.346 175.610 175.510 -0.411 0.000 1.290 604 N CA -0.533 52.331 53.050 -0.310 0.000 0.873 604 N CB 1.258 39.646 38.487 -0.165 0.000 1.261 604 N HN 0.653 nan 8.380 nan 0.000 0.504 605 G N -0.071 108.467 108.800 -0.437 0.000 2.502 605 G HA2 0.349 4.323 3.960 0.023 0.000 0.305 605 G HA3 0.349 4.323 3.960 0.023 0.000 0.305 605 G C 0.746 175.292 174.900 -0.590 0.000 1.190 605 G CA -0.560 44.252 45.100 -0.480 0.000 0.933 605 G HN 0.091 nan 8.290 nan 0.000 0.503 606 L N -0.371 120.538 121.223 -0.523 0.000 2.291 606 L HA 0.097 4.451 4.340 0.023 0.000 0.214 606 L C 0.939 177.557 176.870 -0.421 0.000 1.120 606 L CA 0.518 55.082 54.840 -0.461 0.000 0.799 606 L CB -0.344 41.475 42.059 -0.400 0.000 0.925 606 L HN 0.381 nan 8.230 nan 0.000 0.446 607 V N -4.947 114.641 119.914 -0.544 0.000 2.914 607 V HA 0.457 4.591 4.120 0.023 0.000 0.314 607 V C -0.219 175.725 176.094 -0.251 0.000 1.084 607 V CA -1.291 60.763 62.300 -0.411 0.000 0.963 607 V CB 1.592 33.054 31.823 -0.601 0.000 1.025 607 V HN -0.130 nan 8.190 nan 0.000 0.432 608 F N 1.794 121.638 119.950 -0.177 0.000 2.480 608 F HA 0.522 5.063 4.527 0.023 0.000 0.319 608 F C 2.011 177.739 175.800 -0.121 0.000 1.230 608 F CA 0.640 58.551 58.000 -0.149 0.000 1.285 608 F CB 0.766 39.617 39.000 -0.249 0.000 1.208 608 F HN 0.791 nan 8.300 nan 0.000 0.579 609 A N 0.737 123.650 122.820 0.155 0.000 1.986 609 A HA -0.241 4.093 4.320 0.023 0.000 0.220 609 A C 1.592 179.166 177.584 -0.016 0.000 1.171 609 A CA 1.960 54.044 52.037 0.079 0.000 0.640 609 A CB -1.002 18.086 19.000 0.147 0.000 0.811 609 A HN 0.794 nan 8.150 nan 0.000 0.451 610 D N -2.865 117.526 120.400 -0.015 0.000 2.325 610 D HA 0.149 4.803 4.640 0.023 0.000 0.234 610 D C 0.640 176.927 176.300 -0.021 0.000 1.122 610 D CA -0.010 53.954 54.000 -0.061 0.000 0.850 610 D CB -0.110 40.647 40.800 -0.071 0.000 0.921 610 D HN 0.220 nan 8.370 nan 0.000 0.513 611 R N -2.004 118.492 120.500 -0.007 0.000 3.840 611 R HA -0.132 4.221 4.340 0.023 0.000 0.464 611 R C -0.192 176.117 176.300 0.015 0.000 0.986 611 R CA 1.136 57.236 56.100 0.000 0.000 1.305 611 R CB -3.248 27.091 30.300 0.066 0.000 1.950 611 R HN 0.260 nan 8.270 nan 0.000 0.526 612 T N 2.868 117.453 114.554 0.051 0.000 2.888 612 T HA 0.312 4.676 4.350 0.023 0.000 0.301 612 T C -2.256 172.515 174.700 0.118 0.000 1.001 612 T CA -0.694 61.453 62.100 0.078 0.000 1.147 612 T CB 0.955 69.846 68.868 0.039 0.000 0.931 612 T HN -0.070 nan 8.240 nan 0.000 0.541 613 P HA 0.142 nan 4.420 nan 0.000 0.272 613 P C 0.059 177.279 177.300 -0.134 0.000 1.223 613 P CA -0.294 62.767 63.100 -0.064 0.000 0.784 613 P CB 0.478 32.166 31.700 -0.019 0.000 0.923 614 H N 1.936 120.801 119.070 -0.341 0.000 2.505 614 H HA 0.125 4.695 4.556 0.023 0.000 0.355 614 H C -1.378 173.839 175.328 -0.185 0.000 1.179 614 H CA -1.467 54.346 56.048 -0.392 0.000 1.343 614 H CB 0.408 29.898 29.762 -0.453 0.000 1.501 614 H HN 0.283 nan 8.280 nan 0.000 0.569 615 P HA -0.131 nan 4.420 nan 0.000 0.218 615 P C 1.214 178.512 177.300 -0.003 0.000 1.148 615 P CA 1.544 64.637 63.100 -0.013 0.000 0.822 615 P CB -0.002 31.704 31.700 0.009 0.000 0.784 616 A N -0.629 122.184 122.820 -0.012 0.000 2.084 616 A HA -0.196 4.137 4.320 0.023 0.000 0.221 616 A C 2.063 179.587 177.584 -0.100 0.000 1.161 616 A CA 1.252 53.241 52.037 -0.081 0.000 0.653 616 A CB -1.569 17.340 19.000 -0.152 0.000 0.802 616 A HN 0.167 nan 8.150 nan 0.000 0.457 617 L N -0.643 120.550 121.223 -0.051 0.000 2.042 617 L HA -0.125 4.228 4.340 0.023 0.000 0.210 617 L C 2.538 179.449 176.870 0.069 0.000 1.076 617 L CA 2.771 57.620 54.840 0.015 0.000 0.749 617 L CB -1.063 41.014 42.059 0.031 0.000 0.893 617 L HN 0.382 nan 8.230 nan 0.000 0.432 618 T N -1.538 113.064 114.554 0.079 0.000 2.788 618 T HA -0.227 4.137 4.350 0.023 0.000 0.268 618 T C 1.828 176.633 174.700 0.174 0.000 1.044 618 T CA 1.550 63.751 62.100 0.167 0.000 1.139 618 T CB -0.164 68.784 68.868 0.133 0.000 0.867 618 T HN 0.494 nan 8.240 nan 0.000 0.454 619 E N 0.662 120.904 120.200 0.069 0.000 2.110 619 E HA 0.020 4.384 4.350 0.023 0.000 0.193 619 E C 2.156 178.748 176.600 -0.014 0.000 0.988 619 E CA 1.410 57.851 56.400 0.069 0.000 0.804 619 E CB -0.610 29.101 29.700 0.018 0.000 0.745 619 E HN 0.553 nan 8.360 nan 0.000 0.458 620 A N 0.931 123.629 122.820 -0.204 0.000 1.898 620 A HA -0.196 4.138 4.320 0.023 0.000 0.216 620 A C 2.157 179.612 177.584 -0.215 0.000 1.181 620 A CA 1.784 53.640 52.037 -0.303 0.000 0.620 620 A CB -0.602 18.199 19.000 -0.331 0.000 0.819 620 A HN 0.258 nan 8.150 nan 0.000 0.442 621 K N -1.146 119.213 120.400 -0.069 0.000 2.063 621 K HA -0.289 4.045 4.320 0.023 0.000 0.208 621 K C 2.038 178.548 176.600 -0.149 0.000 1.048 621 K CA 2.024 58.289 56.287 -0.036 0.000 0.928 621 K CB -0.330 32.313 32.500 0.237 0.000 0.713 621 K HN 0.650 nan 8.250 nan 0.000 0.442 622 H N 0.410 119.311 119.070 -0.281 0.000 2.333 622 H HA -0.003 4.567 4.556 0.023 0.000 0.302 622 H C 1.969 177.025 175.328 -0.454 0.000 1.075 622 H CA 1.695 57.371 56.048 -0.621 0.000 1.348 622 H CB 0.078 29.507 29.762 -0.555 0.000 1.393 622 H HN 0.223 nan 8.280 nan 0.000 0.509 623 Q N 0.317 119.876 119.800 -0.401 0.000 2.170 623 Q HA -0.113 4.241 4.340 0.023 0.000 0.203 623 Q C 1.712 177.196 176.000 -0.861 0.000 0.976 623 Q CA 1.232 56.717 55.803 -0.529 0.000 0.858 623 Q CB -0.045 28.540 28.738 -0.256 0.000 0.907 623 Q HN 0.697 nan 8.270 nan 0.000 0.433 624 Q N 0.271 119.502 119.800 -0.948 0.000 2.365 624 Q HA 0.045 4.398 4.340 0.023 0.000 0.203 624 Q C -0.025 175.443 176.000 -0.886 0.000 0.929 624 Q CA -0.203 54.909 55.803 -1.152 0.000 0.948 624 Q CB 0.264 28.389 28.738 -1.021 0.000 1.043 624 Q HN 0.392 nan 8.270 nan 0.000 0.505 625 Q N -0.562 118.867 119.800 -0.618 0.000 2.414 625 Q HA -0.079 4.275 4.340 0.023 0.000 0.288 625 Q C -0.146 175.532 176.000 -0.536 0.000 1.086 625 Q CA 0.480 56.057 55.803 -0.377 0.000 0.943 625 Q CB 0.426 29.014 28.738 -0.250 0.000 1.282 625 Q HN 0.294 nan 8.270 nan 0.000 0.438 626 F N 0.301 120.048 119.950 -0.338 0.000 2.695 626 F HA 0.254 4.794 4.527 0.022 0.000 0.303 626 F C -0.252 175.018 175.800 -0.884 0.000 1.091 626 F CA -0.024 57.538 58.000 -0.730 0.000 1.300 626 F CB 0.593 38.827 39.000 -1.276 0.000 1.071 626 F HN 0.291 nan 8.300 nan 0.000 0.578 627 F N 0.353 120.233 119.950 -0.118 0.000 2.529 627 F HA 0.481 5.023 4.527 0.024 0.000 0.320 627 F C -0.128 175.336 175.800 -0.560 0.000 1.118 627 F CA -1.060 56.772 58.000 -0.281 0.000 0.915 627 F CB 1.400 40.269 39.000 -0.219 0.000 1.161 627 F HN -0.325 nan 8.300 nan 0.000 0.445 628 Q N 2.894 122.432 119.800 -0.436 0.000 2.301 628 Q HA 0.610 4.963 4.340 0.023 0.000 0.267 628 Q C -1.348 174.297 176.000 -0.591 0.000 1.035 628 Q CA -0.686 54.869 55.803 -0.413 0.000 0.856 628 Q CB 2.930 31.572 28.738 -0.161 0.000 1.337 628 Q HN 0.537 nan 8.270 nan 0.000 0.450 629 F N -0.192 119.887 119.950 0.215 0.000 2.588 629 F HA 0.606 5.147 4.527 0.024 0.000 0.314 629 F C 0.272 176.303 175.800 0.384 0.000 1.069 629 F CA -0.906 57.291 58.000 0.329 0.000 0.931 629 F CB 1.925 41.258 39.000 0.556 0.000 1.260 629 F HN 0.144 nan 8.300 nan 0.000 0.465 630 R N 1.209 122.009 120.500 0.499 0.000 2.795 630 R HA 0.754 5.108 4.340 0.023 0.000 0.275 630 R C -2.003 174.387 176.300 0.149 0.000 0.981 630 R CA -1.254 55.070 56.100 0.374 0.000 0.917 630 R CB 2.925 33.341 30.300 0.194 0.000 1.202 630 R HN 0.562 nan 8.270 nan 0.000 0.469 631 L N 0.691 121.909 121.223 -0.009 0.000 2.356 631 L HA 0.479 4.833 4.340 0.023 0.000 0.277 631 L C -0.997 175.739 176.870 -0.223 0.000 0.996 631 L CA 0.089 54.661 54.840 -0.446 0.000 0.822 631 L CB 2.111 43.412 42.059 -1.263 0.000 1.256 631 L HN 0.568 nan 8.230 nan 0.000 0.413 632 S N 4.139 119.723 115.700 -0.194 0.000 2.524 632 S HA 0.673 5.156 4.470 0.023 0.000 0.227 632 S C 0.438 174.955 174.600 -0.139 0.000 1.304 632 S CA 0.276 58.401 58.200 -0.125 0.000 1.185 632 S CB -0.075 63.086 63.200 -0.066 0.000 1.104 632 S HN 1.584 nan 8.310 nan 0.000 0.475 633 G N 4.391 113.102 108.800 -0.148 0.000 2.687 633 G HA2 -0.336 3.638 3.960 0.023 0.000 0.303 633 G HA3 -0.336 3.638 3.960 0.023 0.000 0.303 633 G C 0.498 175.290 174.900 -0.181 0.000 1.209 633 G CA 0.786 45.802 45.100 -0.139 0.000 0.968 633 G HN 0.647 nan 8.290 nan 0.000 0.549 634 Q N 1.377 121.077 119.800 -0.166 0.000 2.282 634 Q HA 0.361 4.715 4.340 0.023 0.000 0.206 634 Q C 0.600 176.470 176.000 -0.216 0.000 0.878 634 Q CA 0.921 56.603 55.803 -0.202 0.000 0.944 634 Q CB 0.508 29.146 28.738 -0.166 0.000 1.100 634 Q HN 0.577 nan 8.270 nan 0.000 0.509 635 T N 0.414 114.856 114.554 -0.187 0.000 2.744 635 T HA 0.487 4.851 4.350 0.023 0.000 0.291 635 T C -0.043 174.543 174.700 -0.189 0.000 0.957 635 T CA -0.336 61.668 62.100 -0.160 0.000 1.002 635 T CB 0.892 69.698 68.868 -0.103 0.000 0.919 635 T HN 0.058 nan 8.240 nan 0.000 0.468 636 I N 2.838 123.308 120.570 -0.166 0.000 2.359 636 I HA 0.306 4.490 4.170 0.023 0.000 0.294 636 I C 0.496 176.618 176.117 0.009 0.000 0.987 636 I CA -0.581 60.641 61.300 -0.131 0.000 1.225 636 I CB 1.375 39.306 38.000 -0.114 0.000 1.366 636 I HN 0.596 nan 8.210 nan 0.000 0.466 637 E N 6.666 126.911 120.200 0.075 0.000 2.133 637 E HA 0.449 4.813 4.350 0.023 0.000 0.274 637 E C -1.614 175.091 176.600 0.174 0.000 0.930 637 E CA -0.615 55.845 56.400 0.101 0.000 0.770 637 E CB 1.680 31.422 29.700 0.071 0.000 1.104 637 E HN 0.334 nan 8.360 nan 0.000 0.403 638 V N 3.960 123.959 119.914 0.143 0.000 2.435 638 V HA 0.342 4.475 4.120 0.023 0.000 0.290 638 V C -0.011 176.111 176.094 0.047 0.000 1.030 638 V CA -0.586 61.767 62.300 0.088 0.000 0.881 638 V CB 1.703 33.608 31.823 0.138 0.000 0.983 638 V HN 0.718 nan 8.190 nan 0.000 0.445 639 T N 3.092 117.632 114.554 -0.024 0.000 2.797 639 T HA 0.348 4.712 4.350 0.023 0.000 0.279 639 T C -0.025 174.683 174.700 0.012 0.000 0.991 639 T CA -0.275 61.824 62.100 -0.001 0.000 0.979 639 T CB 1.574 70.422 68.868 -0.033 0.000 0.943 639 T HN 0.689 nan 8.240 nan 0.000 0.444 640 S N 1.653 117.372 115.700 0.032 0.000 2.537 640 S HA 0.202 4.686 4.470 0.023 0.000 0.275 640 S C 0.694 175.181 174.600 -0.188 0.000 1.272 640 S CA -0.542 57.622 58.200 -0.059 0.000 1.050 640 S CB 0.484 63.714 63.200 0.049 0.000 0.961 640 S HN 0.715 nan 8.310 nan 0.000 0.496 641 E N 2.999 122.981 120.200 -0.363 0.000 2.501 641 E HA 0.113 4.477 4.350 0.023 0.000 0.200 641 E C -0.861 175.562 176.600 -0.294 0.000 1.016 641 E CA -0.102 56.118 56.400 -0.299 0.000 0.921 641 E CB 0.344 29.854 29.700 -0.316 0.000 1.034 641 E HN 0.672 nan 8.360 nan 0.000 0.468 642 Y N 0.267 120.455 120.300 -0.188 0.000 2.304 642 Y HA 0.082 4.646 4.550 0.023 0.000 0.327 642 Y C 1.397 177.132 175.900 -0.275 0.000 1.209 642 Y CA -0.145 57.843 58.100 -0.187 0.000 1.299 642 Y CB 0.906 39.242 38.460 -0.205 0.000 1.249 642 Y HN -0.042 nan 8.280 nan 0.000 0.519 643 L N 0.883 121.937 121.223 -0.282 0.000 2.408 643 L HA 0.073 4.427 4.340 0.023 0.000 0.215 643 L C 0.631 177.042 176.870 -0.765 0.000 1.081 643 L CA 0.699 55.124 54.840 -0.692 0.000 0.840 643 L CB 0.041 41.302 42.059 -1.329 0.000 1.002 643 L HN 0.647 nan 8.230 nan 0.000 0.468 644 F N -0.459 119.512 119.950 0.036 0.000 2.778 644 F HA 0.218 4.758 4.527 0.021 0.000 0.314 644 F C 1.212 177.009 175.800 -0.005 0.000 1.073 644 F CA -0.771 57.227 58.000 -0.004 0.000 1.218 644 F CB 0.395 39.374 39.000 -0.035 0.000 1.037 644 F HN -0.124 nan 8.300 nan 0.000 0.594 645 R N -0.045 120.508 120.500 0.090 0.000 2.720 645 R HA 0.431 4.785 4.340 0.023 0.000 0.272 645 R C -0.650 175.658 176.300 0.014 0.000 0.991 645 R CA -0.650 55.462 56.100 0.020 0.000 1.010 645 R CB 0.865 31.067 30.300 -0.163 0.000 1.141 645 R HN 0.080 nan 8.270 nan 0.000 0.494 646 H N 0.390 119.462 119.070 0.004 0.000 2.505 646 H HA 0.068 4.638 4.556 0.023 0.000 0.355 646 H C 0.204 175.565 175.328 0.055 0.000 1.179 646 H CA 0.091 56.171 56.048 0.053 0.000 1.343 646 H CB 1.694 31.488 29.762 0.053 0.000 1.501 646 H HN 0.772 nan 8.280 nan 0.000 0.569 647 S N 0.989 116.838 115.700 0.249 0.000 4.085 647 S HA -0.066 4.417 4.470 0.023 0.000 0.189 647 S C 0.338 175.044 174.600 0.177 0.000 1.392 647 S CA -0.624 57.737 58.200 0.269 0.000 0.972 647 S CB -0.852 62.535 63.200 0.312 0.000 1.482 647 S HN 0.557 nan 8.310 nan 0.000 0.446 648 D N 0.568 121.048 120.400 0.132 0.000 2.352 648 D HA 0.042 4.695 4.640 0.023 0.000 0.236 648 D C 0.293 176.632 176.300 0.066 0.000 1.148 648 D CA -0.236 53.818 54.000 0.090 0.000 0.844 648 D CB -0.431 40.407 40.800 0.064 0.000 0.933 648 D HN 0.483 nan 8.370 nan 0.000 0.507 649 N N 0.126 118.876 118.700 0.082 0.000 2.620 649 N HA 0.135 4.889 4.740 0.023 0.000 0.277 649 N C -1.571 173.997 175.510 0.098 0.000 1.726 649 N CA -0.185 52.907 53.050 0.069 0.000 0.840 649 N CB 0.301 38.819 38.487 0.052 0.000 1.379 649 N HN -0.045 nan 8.380 nan 0.000 0.506 650 E N 0.364 120.616 120.200 0.086 0.000 2.335 650 E HA 0.485 4.849 4.350 0.023 0.000 0.280 650 E C -1.353 175.275 176.600 0.046 0.000 0.918 650 E CA -0.794 55.648 56.400 0.070 0.000 0.765 650 E CB 2.064 31.783 29.700 0.032 0.000 1.218 650 E HN 0.219 nan 8.360 nan 0.000 0.425 651 L N 0.849 122.103 121.223 0.052 0.000 2.424 651 L HA 0.699 5.052 4.340 0.023 0.000 0.258 651 L C -1.666 175.262 176.870 0.096 0.000 0.995 651 L CA -1.017 53.864 54.840 0.069 0.000 0.821 651 L CB 1.334 43.438 42.059 0.076 0.000 1.383 651 L HN 0.663 nan 8.230 nan 0.000 0.410 652 L N 2.799 124.101 121.223 0.131 0.000 2.272 652 L HA 0.490 4.843 4.340 0.023 0.000 0.289 652 L C -0.453 176.564 176.870 0.245 0.000 1.032 652 L CA -0.017 54.935 54.840 0.187 0.000 0.810 652 L CB 0.660 42.839 42.059 0.201 0.000 1.205 652 L HN 0.748 nan 8.230 nan 0.000 0.422 653 H N 6.360 125.500 119.070 0.117 0.000 2.488 653 H HA 0.300 4.869 4.556 0.023 0.000 0.322 653 H C -1.553 173.847 175.328 0.120 0.000 1.078 653 H CA -0.667 55.409 56.048 0.046 0.000 1.260 653 H CB 0.794 30.548 29.762 -0.013 0.000 1.425 653 H HN 0.763 nan 8.280 nan 0.000 0.471 654 W N 5.536 126.615 121.300 -0.368 0.000 2.781 654 W HA 0.518 5.192 4.660 0.023 0.000 0.345 654 W C -1.753 174.583 176.519 -0.305 0.000 1.085 654 W CA -1.351 55.863 57.345 -0.219 0.000 1.198 654 W CB 1.359 30.758 29.460 -0.102 0.000 1.423 654 W HN 0.536 nan 8.180 nan 0.000 0.532 655 M N 3.034 122.713 119.600 0.133 0.000 2.421 655 M HA 0.647 5.141 4.480 0.023 0.000 0.287 655 M C -2.600 173.863 176.300 0.272 0.000 1.183 655 M CA -0.546 54.747 55.300 -0.012 0.000 0.916 655 M CB 2.065 34.591 32.600 -0.124 0.000 1.701 655 M HN 0.156 nan 8.290 nan 0.000 0.470 656 V N 3.178 123.250 119.914 0.263 0.000 2.540 656 V HA 1.031 5.165 4.120 0.023 0.000 0.302 656 V C -0.458 175.738 176.094 0.170 0.000 1.035 656 V CA -0.102 62.355 62.300 0.262 0.000 0.873 656 V CB 1.278 33.274 31.823 0.290 0.000 0.992 656 V HN 1.160 nan 8.190 nan 0.000 0.428 657 A N 4.243 127.175 122.820 0.187 0.000 2.539 657 A HA 0.902 5.236 4.320 0.023 0.000 0.296 657 A C -1.593 176.108 177.584 0.194 0.000 1.073 657 A CA -0.613 51.505 52.037 0.136 0.000 0.700 657 A CB 1.810 20.852 19.000 0.070 0.000 1.296 657 A HN 0.886 nan 8.150 nan 0.000 0.405 658 L N 1.330 122.637 121.223 0.141 0.000 2.280 658 L HA 0.559 4.913 4.340 0.023 0.000 0.287 658 L C -0.541 176.424 176.870 0.158 0.000 1.023 658 L CA 0.203 55.141 54.840 0.163 0.000 0.819 658 L CB 0.503 42.627 42.059 0.107 0.000 1.212 658 L HN 0.758 nan 8.230 nan 0.000 0.420 659 D N 4.605 125.164 120.400 0.264 0.000 2.702 659 D HA -0.220 4.434 4.640 0.023 0.000 0.233 659 D C 1.172 177.488 176.300 0.027 0.000 1.164 659 D CA 1.470 55.597 54.000 0.213 0.000 0.638 659 D CB -1.200 39.706 40.800 0.178 0.000 1.041 659 D HN 1.224 nan 8.370 nan 0.000 0.422 660 G N -1.085 107.698 108.800 -0.028 0.000 2.205 660 G HA2 -0.396 3.577 3.960 0.023 0.000 0.261 660 G HA3 -0.396 3.577 3.960 0.023 0.000 0.261 660 G C 0.356 175.174 174.900 -0.135 0.000 0.980 660 G CA 0.598 45.579 45.100 -0.199 0.000 0.632 660 G HN 0.466 nan 8.290 nan 0.000 0.533 661 K N 1.996 122.367 120.400 -0.047 0.000 2.262 661 K HA 0.513 4.846 4.320 0.023 0.000 0.282 661 K C -2.352 174.239 176.600 -0.015 0.000 1.066 661 K CA -1.973 54.292 56.287 -0.037 0.000 0.901 661 K CB 1.346 33.842 32.500 -0.007 0.000 1.089 661 K HN 0.053 nan 8.250 nan 0.000 0.476 662 P HA -0.052 nan 4.420 nan 0.000 0.266 662 P C 0.014 177.316 177.300 0.003 0.000 1.215 662 P CA 0.069 63.156 63.100 -0.022 0.000 0.763 662 P CB 0.705 32.375 31.700 -0.051 0.000 0.806 663 L N 2.339 123.582 121.223 0.033 0.000 2.189 663 L HA 0.362 4.716 4.340 0.023 0.000 0.199 663 L C 0.825 177.722 176.870 0.046 0.000 1.074 663 L CA 1.051 55.921 54.840 0.050 0.000 0.783 663 L CB -0.047 42.066 42.059 0.090 0.000 0.955 663 L HN 0.400 nan 8.230 nan 0.000 0.460 664 A N -1.168 121.686 122.820 0.057 0.000 2.608 664 A HA 0.587 4.921 4.320 0.023 0.000 0.292 664 A C -0.931 176.542 177.584 -0.185 0.000 1.066 664 A CA 0.155 52.212 52.037 0.033 0.000 0.676 664 A CB 1.667 20.800 19.000 0.222 0.000 1.277 664 A HN 0.205 nan 8.150 nan 0.000 0.413 665 S N -0.617 114.740 115.700 -0.573 0.000 2.615 665 S HA 0.963 5.447 4.470 0.023 0.000 0.269 665 S C -0.279 173.388 174.600 -1.554 0.000 1.161 665 S CA -0.005 57.404 58.200 -1.318 0.000 0.817 665 S CB 1.135 63.927 63.200 -0.679 0.000 1.131 665 S HN 2.638 nan 8.310 nan 0.000 0.467 666 G N -0.140 107.438 108.800 -2.038 0.000 2.495 666 G HA2 0.615 4.589 3.960 0.023 0.000 0.294 666 G HA3 0.615 4.589 3.960 0.023 0.000 0.294 666 G C -2.308 172.206 174.900 -0.645 0.000 1.397 666 G CA -0.785 43.725 45.100 -0.983 0.000 0.790 666 G HN 0.796 nan 8.290 nan 0.000 0.486 667 E N -1.483 118.693 120.200 -0.039 0.000 2.367 667 E HA 0.677 5.040 4.350 0.023 0.000 0.273 667 E C -1.264 175.453 176.600 0.195 0.000 0.903 667 E CA -0.885 55.600 56.400 0.143 0.000 0.764 667 E CB 3.255 33.056 29.700 0.168 0.000 1.252 667 E HN 0.405 nan 8.360 nan 0.000 0.446 668 V N 1.775 121.808 119.914 0.198 0.000 2.777 668 V HA 0.379 4.513 4.120 0.023 0.000 0.306 668 V C -2.558 173.611 176.094 0.125 0.000 1.112 668 V CA -2.028 60.368 62.300 0.162 0.000 0.917 668 V CB 1.887 33.813 31.823 0.172 0.000 1.018 668 V HN 0.551 nan 8.190 nan 0.000 0.426 669 P HA 0.320 nan 4.420 nan 0.000 0.271 669 P C -0.837 176.511 177.300 0.080 0.000 1.218 669 P CA -0.013 63.136 63.100 0.081 0.000 0.780 669 P CB 0.611 32.353 31.700 0.070 0.000 0.901 670 L N 2.938 124.202 121.223 0.067 0.000 2.307 670 L HA 0.421 4.775 4.340 0.023 0.000 0.284 670 L C 0.170 177.096 176.870 0.093 0.000 1.023 670 L CA -0.160 54.717 54.840 0.061 0.000 0.810 670 L CB 1.373 43.425 42.059 -0.012 0.000 1.231 670 L HN 0.319 nan 8.230 nan 0.000 0.423 671 D N 3.204 123.674 120.400 0.115 0.000 2.517 671 D HA 0.320 4.973 4.640 0.023 0.000 0.263 671 D C -1.337 175.069 176.300 0.177 0.000 1.233 671 D CA -0.180 53.914 54.000 0.157 0.000 0.849 671 D CB 1.043 41.921 40.800 0.130 0.000 1.261 671 D HN 0.054 nan 8.370 nan 0.000 0.516 672 V N 1.447 121.473 119.914 0.185 0.000 2.448 672 V HA 0.859 4.992 4.120 0.023 0.000 0.295 672 V C 0.931 177.010 176.094 -0.026 0.000 1.025 672 V CA -1.158 61.222 62.300 0.132 0.000 0.859 672 V CB 1.097 33.047 31.823 0.212 0.000 0.988 672 V HN 0.567 nan 8.190 nan 0.000 0.431 673 A N 6.849 129.523 122.820 -0.242 0.000 2.313 673 A HA 0.704 5.038 4.320 0.023 0.000 0.261 673 A C -2.276 175.109 177.584 -0.331 0.000 1.090 673 A CA -1.508 50.056 52.037 -0.788 0.000 0.807 673 A CB -0.165 18.573 19.000 -0.438 0.000 1.055 673 A HN 0.692 nan 8.150 nan 0.000 0.492 674 P HA 0.001 nan 4.420 nan 0.000 0.261 674 P C -0.510 176.724 177.300 -0.110 0.000 1.183 674 P CA 0.706 63.731 63.100 -0.125 0.000 0.761 674 P CB 0.377 32.009 31.700 -0.113 0.000 0.785 675 Q N -0.790 118.957 119.800 -0.090 0.000 2.362 675 Q HA -0.178 4.176 4.340 0.023 0.000 0.220 675 Q C 0.736 176.705 176.000 -0.051 0.000 0.713 675 Q CA 1.474 57.229 55.803 -0.080 0.000 1.345 675 Q CB -2.613 26.073 28.738 -0.087 0.000 1.570 675 Q HN 0.701 nan 8.270 nan 0.000 0.701 676 G N 0.516 109.291 108.800 -0.042 0.000 2.543 676 G HA2 0.529 4.503 3.960 0.023 0.000 0.290 676 G HA3 0.529 4.503 3.960 0.023 0.000 0.290 676 G C -0.325 174.585 174.900 0.016 0.000 1.310 676 G CA -0.529 44.562 45.100 -0.015 0.000 1.025 676 G HN 0.003 nan 8.290 nan 0.000 0.502 677 K N -0.623 119.795 120.400 0.029 0.000 2.435 677 K HA 0.429 4.763 4.320 0.023 0.000 0.251 677 K C -1.052 175.583 176.600 0.057 0.000 0.954 677 K CA -0.600 55.713 56.287 0.044 0.000 0.820 677 K CB 2.601 35.120 32.500 0.030 0.000 1.292 677 K HN 0.574 nan 8.250 nan 0.000 0.436 678 Q N 3.038 122.880 119.800 0.070 0.000 2.331 678 Q HA 0.398 4.751 4.340 0.023 0.000 0.272 678 Q C -1.647 174.391 176.000 0.064 0.000 1.062 678 Q CA -0.679 55.166 55.803 0.070 0.000 0.806 678 Q CB 1.570 30.360 28.738 0.086 0.000 1.312 678 Q HN 0.540 nan 8.270 nan 0.000 0.431 679 L N 5.048 126.298 121.223 0.044 0.000 2.282 679 L HA 0.556 4.909 4.340 0.023 0.000 0.288 679 L C -0.470 176.410 176.870 0.016 0.000 1.033 679 L CA -0.683 54.172 54.840 0.025 0.000 0.807 679 L CB 1.313 43.377 42.059 0.009 0.000 1.209 679 L HN 0.616 nan 8.230 nan 0.000 0.423 680 I N 2.808 123.378 120.570 0.000 0.000 2.418 680 I HA 0.241 4.424 4.170 0.023 0.000 0.287 680 I C -0.434 175.637 176.117 -0.077 0.000 1.008 680 I CA -0.676 60.614 61.300 -0.016 0.000 1.104 680 I CB 2.278 40.281 38.000 0.005 0.000 1.264 680 I HN 0.503 nan 8.210 nan 0.000 0.438 681 E N 6.142 126.297 120.200 -0.076 0.000 2.167 681 E HA 0.432 4.795 4.350 0.023 0.000 0.284 681 E C -0.760 175.735 176.600 -0.175 0.000 1.016 681 E CA -0.268 56.062 56.400 -0.117 0.000 0.817 681 E CB 1.097 30.750 29.700 -0.079 0.000 1.080 681 E HN 0.396 nan 8.360 nan 0.000 0.397 682 L N 5.808 126.865 121.223 -0.276 0.000 2.395 682 L HA 0.398 4.751 4.340 0.023 0.000 0.269 682 L C -1.728 174.984 176.870 -0.263 0.000 1.133 682 L CA -1.875 52.715 54.840 -0.416 0.000 0.812 682 L CB 0.688 42.386 42.059 -0.602 0.000 1.125 682 L HN 0.417 nan 8.230 nan 0.000 0.452 683 P HA 0.029 nan 4.420 nan 0.000 0.277 683 P C -0.771 176.469 177.300 -0.100 0.000 1.276 683 P CA -0.557 62.482 63.100 -0.101 0.000 0.788 683 P CB 0.394 32.090 31.700 -0.008 0.000 1.114 684 E N 0.145 120.317 120.200 -0.047 0.000 2.413 684 E HA 0.073 4.437 4.350 0.023 0.000 0.263 684 E C -0.981 175.607 176.600 -0.021 0.000 1.015 684 E CA -0.169 56.208 56.400 -0.039 0.000 0.916 684 E CB 0.105 29.795 29.700 -0.017 0.000 0.947 684 E HN 0.344 nan 8.360 nan 0.000 0.440 685 L N 6.230 127.438 121.223 -0.024 0.000 2.502 685 L HA 0.267 4.620 4.340 0.023 0.000 0.247 685 L C -1.977 174.905 176.870 0.021 0.000 1.180 685 L CA -2.262 52.584 54.840 0.009 0.000 0.956 685 L CB 1.241 43.306 42.059 0.011 0.000 1.282 685 L HN 0.581 nan 8.230 nan 0.000 0.470 686 P HA -0.231 nan 4.420 nan 0.000 0.042 686 P C -0.105 177.210 177.300 0.025 0.000 0.711 686 P CA 0.537 63.652 63.100 0.026 0.000 1.000 686 P CB -0.614 31.106 31.700 0.034 0.000 1.820 687 Q N 0.195 120.006 119.800 0.018 0.000 3.067 687 Q HA -0.162 4.191 4.340 0.023 0.000 0.386 687 Q C -1.620 174.393 176.000 0.023 0.000 1.281 687 Q CA 0.135 55.948 55.803 0.017 0.000 0.915 687 Q CB -0.861 27.880 28.738 0.005 0.000 1.312 687 Q HN 0.376 nan 8.270 nan 0.000 0.581 688 P HA -0.091 nan 4.420 nan 0.000 0.268 688 P C -0.763 176.552 177.300 0.025 0.000 1.204 688 P CA 0.262 63.381 63.100 0.032 0.000 0.768 688 P CB 0.637 32.360 31.700 0.038 0.000 0.842 689 E N 2.113 122.328 120.200 0.024 0.000 2.341 689 E HA 0.294 4.657 4.350 0.023 0.000 0.279 689 E C -0.440 176.174 176.600 0.024 0.000 1.395 689 E CA -0.402 56.011 56.400 0.021 0.000 1.648 689 E CB -0.485 29.226 29.700 0.018 0.000 1.524 689 E HN 0.421 nan 8.360 nan 0.000 0.462 690 S N -0.690 115.027 115.700 0.028 0.000 2.633 690 S HA 0.498 4.982 4.470 0.023 0.000 0.271 690 S C -0.503 174.120 174.600 0.037 0.000 1.112 690 S CA -0.919 57.300 58.200 0.032 0.000 0.828 690 S CB 0.766 63.988 63.200 0.036 0.000 1.086 690 S HN 0.426 nan 8.310 nan 0.000 0.461 691 A N 0.264 123.108 122.820 0.041 0.000 2.466 691 A HA 0.783 5.116 4.320 0.023 0.000 0.238 691 A C 0.975 178.596 177.584 0.061 0.000 1.074 691 A CA 0.692 52.757 52.037 0.046 0.000 0.774 691 A CB -0.587 18.443 19.000 0.050 0.000 1.015 691 A HN 2.460 nan 8.150 nan 0.000 0.498 692 G N -0.283 108.557 108.800 0.065 0.000 2.339 692 G HA2 0.452 4.426 3.960 0.023 0.000 0.381 692 G HA3 0.452 4.426 3.960 0.023 0.000 0.381 692 G C -1.025 173.923 174.900 0.079 0.000 1.400 692 G CA -0.172 44.985 45.100 0.094 0.000 1.002 692 G HN 1.277 nan 8.290 nan 0.000 0.633 693 Q N -0.122 119.750 119.800 0.120 0.000 2.257 693 Q HA 0.723 5.077 4.340 0.023 0.000 0.255 693 Q C -0.173 175.886 176.000 0.099 0.000 0.920 693 Q CA -0.671 55.155 55.803 0.037 0.000 0.927 693 Q CB 1.239 29.968 28.738 -0.014 0.000 1.229 693 Q HN 0.590 nan 8.270 nan 0.000 0.433 694 L N 4.111 125.324 121.223 -0.016 0.000 2.350 694 L HA 0.464 4.818 4.340 0.023 0.000 0.275 694 L C -0.793 176.042 176.870 -0.059 0.000 1.099 694 L CA -0.478 54.401 54.840 0.066 0.000 0.808 694 L CB 0.760 42.831 42.059 0.020 0.000 1.149 694 L HN 0.762 nan 8.230 nan 0.000 0.442 695 W N 3.652 125.020 121.300 0.112 0.000 2.785 695 W HA 0.451 5.125 4.660 0.023 0.000 0.333 695 W C -0.784 175.837 176.519 0.171 0.000 1.062 695 W CA -0.505 56.928 57.345 0.148 0.000 1.233 695 W CB 1.789 31.366 29.460 0.194 0.000 1.413 695 W HN 0.129 nan 8.180 nan 0.000 0.489 696 L N 3.516 125.006 121.223 0.445 0.000 2.287 696 L HA 0.726 5.079 4.340 0.023 0.000 0.287 696 L C -0.369 176.807 176.870 0.510 0.000 1.022 696 L CA 0.207 55.289 54.840 0.402 0.000 0.814 696 L CB 1.183 43.406 42.059 0.272 0.000 1.217 696 L HN 0.297 nan 8.230 nan 0.000 0.420 697 T N 5.398 120.192 114.554 0.399 0.000 2.792 697 T HA 0.637 5.001 4.350 0.023 0.000 0.280 697 T C -0.603 174.276 174.700 0.298 0.000 0.990 697 T CA -0.402 61.898 62.100 0.334 0.000 0.960 697 T CB 1.381 70.384 68.868 0.225 0.000 0.939 697 T HN 0.613 nan 8.240 nan 0.000 0.439 698 V N 1.948 122.026 119.914 0.272 0.000 2.715 698 V HA 0.846 4.980 4.120 0.023 0.000 0.310 698 V C -0.789 175.399 176.094 0.157 0.000 1.054 698 V CA -1.200 61.215 62.300 0.192 0.000 0.928 698 V CB 1.931 33.824 31.823 0.116 0.000 1.007 698 V HN 0.814 nan 8.190 nan 0.000 0.437 699 R N 2.247 122.865 120.500 0.196 0.000 2.621 699 R HA 0.741 5.095 4.340 0.023 0.000 0.284 699 R C -1.570 174.877 176.300 0.244 0.000 0.998 699 R CA -0.732 55.520 56.100 0.254 0.000 0.895 699 R CB 2.613 33.044 30.300 0.219 0.000 1.195 699 R HN 0.696 nan 8.270 nan 0.000 0.450 700 V N 3.699 123.787 119.914 0.289 0.000 2.432 700 V HA 0.319 4.453 4.120 0.023 0.000 0.275 700 V C -0.130 176.076 176.094 0.186 0.000 1.043 700 V CA -0.543 61.884 62.300 0.212 0.000 0.925 700 V CB 1.543 33.474 31.823 0.180 0.000 0.985 700 V HN 0.437 nan 8.190 nan 0.000 0.466 701 V N 5.223 125.216 119.914 0.131 0.000 2.555 701 V HA 0.392 4.526 4.120 0.023 0.000 0.302 701 V C -0.195 175.960 176.094 0.101 0.000 1.038 701 V CA -0.720 61.638 62.300 0.098 0.000 0.887 701 V CB 1.950 33.803 31.823 0.050 0.000 0.991 701 V HN 0.902 nan 8.190 nan 0.000 0.434 702 Q N 5.451 125.321 119.800 0.116 0.000 2.430 702 Q HA 0.266 4.620 4.340 0.023 0.000 0.245 702 Q C -1.814 174.216 176.000 0.050 0.000 1.021 702 Q CA -1.751 54.115 55.803 0.106 0.000 0.867 702 Q CB 1.720 30.542 28.738 0.141 0.000 1.210 702 Q HN 0.490 nan 8.270 nan 0.000 0.487 703 P HA -0.175 nan 4.420 nan 0.000 0.218 703 P C -0.563 176.733 177.300 -0.006 0.000 1.149 703 P CA 1.148 64.254 63.100 0.010 0.000 0.817 703 P CB 0.376 32.083 31.700 0.012 0.000 0.785 704 N N -0.705 117.988 118.700 -0.012 0.000 2.456 704 N HA 0.471 5.225 4.740 0.023 0.000 0.296 704 N C -0.411 175.054 175.510 -0.075 0.000 1.102 704 N CA -0.788 52.241 53.050 -0.035 0.000 0.924 704 N CB 1.119 39.589 38.487 -0.028 0.000 1.186 704 N HN -0.085 nan 8.380 nan 0.000 0.492 705 A N 0.795 123.562 122.820 -0.088 0.000 2.425 705 A HA 0.425 4.759 4.320 0.023 0.000 0.242 705 A C 0.538 178.008 177.584 -0.189 0.000 1.077 705 A CA 0.021 51.974 52.037 -0.141 0.000 0.781 705 A CB 0.027 18.966 19.000 -0.102 0.000 1.020 705 A HN 0.693 nan 8.150 nan 0.000 0.494 706 T N -2.872 111.490 114.554 -0.320 0.000 2.831 706 T HA 0.628 4.992 4.350 0.023 0.000 0.287 706 T C 0.918 175.450 174.700 -0.280 0.000 1.070 706 T CA 0.017 61.901 62.100 -0.359 0.000 1.010 706 T CB 1.216 69.633 68.868 -0.751 0.000 1.264 706 T HN 1.370 nan 8.240 nan 0.000 0.532 707 A N -0.008 122.733 122.820 -0.131 0.000 2.121 707 A HA 0.107 4.441 4.320 0.023 0.000 0.218 707 A C 1.599 179.287 177.584 0.174 0.000 1.154 707 A CA 1.063 53.127 52.037 0.045 0.000 0.679 707 A CB -0.858 18.207 19.000 0.109 0.000 0.795 707 A HN 0.923 nan 8.150 nan 0.000 0.458 708 W N -0.809 120.558 121.300 0.112 0.000 2.714 708 W HA 0.420 5.094 4.660 0.024 0.000 0.353 708 W C -0.291 176.210 176.519 -0.031 0.000 0.999 708 W CA 0.445 57.839 57.345 0.081 0.000 1.629 708 W CB -1.008 28.497 29.460 0.074 0.000 1.106 708 W HN 0.365 nan 8.180 nan 0.000 0.545 709 S N -0.027 115.236 115.700 -0.727 0.000 2.579 709 S HA 0.453 4.937 4.470 0.023 0.000 0.272 709 S C -0.911 173.468 174.600 -0.368 0.000 1.141 709 S CA -0.768 57.049 58.200 -0.638 0.000 0.843 709 S CB 2.732 65.187 63.200 -1.242 0.000 1.122 709 S HN 0.105 nan 8.310 nan 0.000 0.468 710 E N 0.560 120.651 120.200 -0.182 0.000 2.318 710 E HA 0.560 4.923 4.350 0.023 0.000 0.265 710 E C 0.280 176.844 176.600 -0.060 0.000 1.069 710 E CA -0.741 55.607 56.400 -0.087 0.000 0.893 710 E CB 1.169 30.859 29.700 -0.017 0.000 1.076 710 E HN 0.853 nan 8.360 nan 0.000 0.414 711 A N 0.835 123.626 122.820 -0.048 0.000 2.531 711 A HA 0.353 4.686 4.320 0.023 0.000 0.236 711 A C 1.158 178.744 177.584 0.004 0.000 1.062 711 A CA 0.872 52.892 52.037 -0.028 0.000 0.760 711 A CB -0.410 18.574 19.000 -0.027 0.000 0.995 711 A HN 0.822 nan 8.150 nan 0.000 0.501 712 G N 0.364 109.175 108.800 0.018 0.000 2.195 712 G HA2 -0.238 3.736 3.960 0.023 0.000 0.246 712 G HA3 -0.238 3.736 3.960 0.023 0.000 0.246 712 G C 0.270 175.206 174.900 0.059 0.000 0.984 712 G CA 0.637 45.749 45.100 0.021 0.000 0.633 712 G HN 1.735 nan 8.290 nan 0.000 0.525 713 H N 0.866 119.939 119.070 0.005 0.000 3.094 713 H HA 0.406 4.975 4.556 0.023 0.000 0.320 713 H C 0.754 176.157 175.328 0.124 0.000 1.000 713 H CA 0.404 56.486 56.048 0.057 0.000 1.413 713 H CB 0.109 29.883 29.762 0.021 0.000 1.405 713 H HN 0.317 nan 8.280 nan 0.000 0.586 714 I N 4.794 125.139 120.570 -0.375 0.000 2.312 714 I HA 0.019 4.203 4.170 0.023 0.000 0.291 714 I C 0.970 176.951 176.117 -0.226 0.000 1.031 714 I CA 0.163 61.364 61.300 -0.166 0.000 1.293 714 I CB 1.288 39.246 38.000 -0.070 0.000 1.403 714 I HN 0.773 nan 8.210 nan 0.000 0.484 715 S N 4.284 120.059 115.700 0.125 0.000 2.502 715 S HA 0.576 5.059 4.470 0.023 0.000 0.215 715 S C 0.453 175.343 174.600 0.483 0.000 1.009 715 S CA 0.007 58.419 58.200 0.355 0.000 0.908 715 S CB 0.566 64.091 63.200 0.542 0.000 0.801 715 S HN 0.699 nan 8.310 nan 0.000 0.505 716 A N 0.455 123.601 122.820 0.544 0.000 2.599 716 A HA 0.646 4.980 4.320 0.023 0.000 0.294 716 A C -1.772 176.212 177.584 0.666 0.000 1.055 716 A CA -0.870 51.480 52.037 0.522 0.000 0.683 716 A CB 0.316 19.658 19.000 0.569 0.000 1.278 716 A HN 0.934 nan 8.150 nan 0.000 0.412 717 W N -0.021 121.470 121.300 0.319 0.000 3.005 717 W HA 0.829 5.504 4.660 0.024 0.000 0.343 717 W C -1.147 175.440 176.519 0.114 0.000 1.243 717 W CA -0.630 56.796 57.345 0.135 0.000 1.186 717 W CB 1.162 30.670 29.460 0.080 0.000 1.453 717 W HN 1.049 nan 8.180 nan 0.000 0.575 718 Q N 0.781 120.644 119.800 0.105 0.000 2.647 718 Q HA 0.446 4.800 4.340 0.023 0.000 0.283 718 Q C -1.643 174.265 176.000 -0.152 0.000 0.943 718 Q CA -0.512 55.205 55.803 -0.143 0.000 0.813 718 Q CB 2.220 30.652 28.738 -0.510 0.000 1.477 718 Q HN 0.634 nan 8.270 nan 0.000 0.393 719 Q N 0.803 120.427 119.800 -0.293 0.000 2.456 719 Q HA 0.648 5.002 4.340 0.023 0.000 0.283 719 Q C -1.097 174.821 176.000 -0.136 0.000 1.084 719 Q CA -0.764 55.066 55.803 0.044 0.000 0.801 719 Q CB 2.644 31.592 28.738 0.349 0.000 1.434 719 Q HN 0.578 nan 8.270 nan 0.000 0.419 720 W N 0.475 121.928 121.300 0.256 0.000 3.083 720 W HA 0.474 5.147 4.660 0.023 0.000 0.333 720 W C -0.471 175.935 176.519 -0.188 0.000 1.217 720 W CA -0.662 56.724 57.345 0.068 0.000 1.170 720 W CB 1.961 31.429 29.460 0.013 0.000 1.437 720 W HN 0.405 nan 8.180 nan 0.000 0.557 721 R N 1.583 121.947 120.500 -0.228 0.000 2.349 721 R HA 0.537 4.891 4.340 0.023 0.000 0.299 721 R C 0.426 176.556 176.300 -0.283 0.000 1.027 721 R CA -0.397 55.284 56.100 -0.699 0.000 0.958 721 R CB 1.593 31.439 30.300 -0.757 0.000 1.047 721 R HN 0.269 nan 8.270 nan 0.000 0.468 722 L N 1.153 122.208 121.223 -0.279 0.000 2.719 722 L HA 0.530 4.884 4.340 0.023 0.000 0.182 722 L C 0.643 177.422 176.870 -0.151 0.000 1.940 722 L CA -0.963 53.788 54.840 -0.148 0.000 2.839 722 L CB -0.088 41.920 42.059 -0.084 0.000 2.949 722 L HN 0.605 nan 8.230 nan 0.000 0.669 723 A N 0.456 123.217 122.820 -0.100 0.000 2.483 723 A HA 0.170 4.503 4.320 0.023 0.000 0.238 723 A C -0.253 177.280 177.584 -0.085 0.000 1.070 723 A CA 0.224 52.213 52.037 -0.079 0.000 0.770 723 A CB 0.087 19.058 19.000 -0.048 0.000 1.008 723 A HN 0.602 nan 8.150 nan 0.000 0.497 724 E N 1.194 121.353 120.200 -0.069 0.000 2.222 724 E HA 0.323 4.687 4.350 0.023 0.000 0.267 724 E C -1.400 175.188 176.600 -0.020 0.000 0.884 724 E CA -0.720 55.648 56.400 -0.052 0.000 0.764 724 E CB 0.882 30.544 29.700 -0.063 0.000 1.169 724 E HN 0.667 nan 8.360 nan 0.000 0.413 725 N N 5.074 123.774 118.700 0.001 0.000 2.564 725 N HA 0.268 5.021 4.740 0.023 0.000 0.248 725 N C -0.537 174.985 175.510 0.020 0.000 0.986 725 N CA -0.322 52.734 53.050 0.010 0.000 0.921 725 N CB 1.072 39.569 38.487 0.017 0.000 1.136 725 N HN 0.488 nan 8.380 nan 0.000 0.509 726 L N 0.562 121.796 121.223 0.018 0.000 2.461 726 L HA 0.136 4.490 4.340 0.023 0.000 0.272 726 L C 1.253 178.142 176.870 0.031 0.000 1.197 726 L CA 0.111 54.967 54.840 0.027 0.000 0.836 726 L CB 0.506 42.580 42.059 0.023 0.000 1.105 726 L HN 0.331 nan 8.230 nan 0.000 0.477 727 S N 0.865 116.589 115.700 0.039 0.000 2.465 727 S HA 0.295 4.779 4.470 0.023 0.000 0.279 727 S C 0.649 175.270 174.600 0.035 0.000 1.201 727 S CA -0.799 57.424 58.200 0.039 0.000 1.053 727 S CB 1.070 64.300 63.200 0.049 0.000 0.953 727 S HN 0.455 nan 8.310 nan 0.000 0.488 728 V N 2.580 122.512 119.914 0.029 0.000 3.048 728 V HA 0.277 4.410 4.120 0.023 0.000 0.241 728 V C 1.190 177.299 176.094 0.025 0.000 1.129 728 V CA 0.650 62.965 62.300 0.025 0.000 1.128 728 V CB -1.219 30.616 31.823 0.020 0.000 0.849 728 V HN 0.878 nan 8.190 nan 0.000 0.475 729 T N 1.467 116.036 114.554 0.025 0.000 2.871 729 T HA 0.217 4.581 4.350 0.023 0.000 0.296 729 T C 0.677 175.393 174.700 0.026 0.000 0.998 729 T CA 0.732 62.846 62.100 0.024 0.000 1.162 729 T CB 0.905 69.787 68.868 0.023 0.000 0.947 729 T HN 0.424 nan 8.240 nan 0.000 0.536 730 L N 2.515 123.751 121.223 0.022 0.000 2.425 730 L HA 0.416 4.770 4.340 0.023 0.000 0.215 730 L C -1.089 175.792 176.870 0.019 0.000 1.065 730 L CA -0.834 54.019 54.840 0.022 0.000 0.842 730 L CB -2.875 39.194 42.059 0.017 0.000 1.033 730 L HN 0.496 nan 8.230 nan 0.000 0.474 731 P HA 0.217 nan 4.420 nan 0.000 0.278 731 P C -0.146 177.163 177.300 0.015 0.000 1.271 731 P CA 1.033 64.141 63.100 0.013 0.000 0.860 731 P CB -0.086 31.623 31.700 0.015 0.000 0.864 732 A N -1.764 121.063 122.820 0.012 0.000 2.435 732 A HA 0.436 4.769 4.320 0.023 0.000 0.686 732 A C 0.114 177.687 177.584 -0.018 0.000 0.138 732 A CA -0.451 51.596 52.037 0.017 0.000 0.025 732 A CB -1.624 17.395 19.000 0.031 0.000 3.973 732 A HN 0.987 nan 8.150 nan 0.000 0.548 733 A N 2.656 125.448 122.820 -0.047 0.000 2.507 733 A HA 0.562 4.895 4.320 0.023 0.000 0.235 733 A C 1.276 178.658 177.584 -0.336 0.000 1.070 733 A CA 0.908 52.800 52.037 -0.241 0.000 0.768 733 A CB 0.067 18.821 19.000 -0.410 0.000 1.011 733 A HN 2.313 nan 8.150 nan 0.000 0.502 734 S N 1.588 117.041 115.700 -0.413 0.000 4.175 734 S HA 0.126 4.609 4.470 0.023 0.000 0.193 734 S C -0.127 174.291 174.600 -0.303 0.000 1.373 734 S CA -0.383 57.661 58.200 -0.260 0.000 0.908 734 S CB -1.284 61.824 63.200 -0.153 0.000 1.547 734 S HN 0.649 nan 8.310 nan 0.000 0.440 735 H N 2.889 121.971 119.070 0.021 0.000 3.014 735 H HA 0.571 5.141 4.556 0.023 0.000 0.266 735 H C 0.569 175.912 175.328 0.026 0.000 1.455 735 H CA 0.464 56.524 56.048 0.021 0.000 1.402 735 H CB 0.056 29.829 29.762 0.019 0.000 1.626 735 H HN 0.841 nan 8.280 nan 0.000 0.520 736 A N 2.161 125.060 122.820 0.133 0.000 2.435 736 A HA -0.115 4.219 4.320 0.023 0.000 0.686 736 A C -0.909 176.709 177.584 0.057 0.000 0.138 736 A CA -0.539 51.551 52.037 0.088 0.000 0.024 736 A CB -1.031 18.023 19.000 0.090 0.000 3.974 736 A HN 0.646 nan 8.150 nan 0.000 0.548 737 I N 3.460 124.058 120.570 0.047 0.000 2.493 737 I HA 0.822 5.006 4.170 0.023 0.000 0.298 737 I C -2.260 173.891 176.117 0.057 0.000 0.998 737 I CA -2.184 59.137 61.300 0.035 0.000 1.137 737 I CB 1.826 39.839 38.000 0.021 0.000 1.310 737 I HN 0.544 nan 8.210 nan 0.000 0.445 738 P HA 0.220 nan 4.420 nan 0.000 0.276 738 P C -1.586 175.801 177.300 0.145 0.000 1.244 738 P CA -0.087 63.068 63.100 0.091 0.000 0.801 738 P CB 0.395 32.111 31.700 0.028 0.000 1.006 739 H N 0.996 120.095 119.070 0.048 0.000 2.469 739 H HA 0.516 5.086 4.556 0.023 0.000 0.342 739 H C -1.180 174.176 175.328 0.046 0.000 1.115 739 H CA -1.041 55.029 56.048 0.037 0.000 1.204 739 H CB 1.180 30.965 29.762 0.038 0.000 1.492 739 H HN 0.207 nan 8.280 nan 0.000 0.499 740 L N 4.254 125.332 121.223 -0.243 0.000 2.322 740 L HA 0.352 4.706 4.340 0.023 0.000 0.281 740 L C -0.914 175.611 176.870 -0.574 0.000 1.014 740 L CA -0.111 54.542 54.840 -0.313 0.000 0.815 740 L CB 1.862 43.843 42.059 -0.130 0.000 1.247 740 L HN 0.557 nan 8.230 nan 0.000 0.421 741 T N 3.378 117.744 114.554 -0.313 0.000 2.770 741 T HA 0.546 4.910 4.350 0.023 0.000 0.283 741 T C -0.435 174.278 174.700 0.022 0.000 0.988 741 T CA -0.331 61.656 62.100 -0.189 0.000 0.957 741 T CB 1.053 69.835 68.868 -0.142 0.000 0.930 741 T HN 0.702 nan 8.240 nan 0.000 0.443 742 T N 3.020 117.610 114.554 0.060 0.000 2.797 742 T HA 0.666 5.030 4.350 0.023 0.000 0.279 742 T C 0.084 174.807 174.700 0.039 0.000 0.991 742 T CA -0.797 61.384 62.100 0.135 0.000 0.979 742 T CB 1.245 70.250 68.868 0.229 0.000 0.943 742 T HN 0.681 nan 8.240 nan 0.000 0.444 743 S N 1.800 117.489 115.700 -0.018 0.000 2.709 743 S HA 0.509 4.993 4.470 0.023 0.000 0.302 743 S C 0.812 175.354 174.600 -0.095 0.000 1.127 743 S CA -0.941 57.235 58.200 -0.040 0.000 0.905 743 S CB 1.588 64.769 63.200 -0.031 0.000 1.151 743 S HN 0.501 nan 8.310 nan 0.000 0.510 744 E N 0.305 120.459 120.200 -0.076 0.000 2.110 744 E HA -0.103 4.261 4.350 0.023 0.000 0.193 744 E C 1.446 177.959 176.600 -0.145 0.000 0.988 744 E CA 1.478 57.818 56.400 -0.099 0.000 0.804 744 E CB -0.410 29.254 29.700 -0.060 0.000 0.745 744 E HN 0.663 nan 8.360 nan 0.000 0.458 745 M N 0.117 119.650 119.600 -0.112 0.000 2.541 745 M HA 0.113 4.607 4.480 0.023 0.000 0.252 745 M C 0.062 176.282 176.300 -0.133 0.000 1.125 745 M CA 0.715 55.953 55.300 -0.103 0.000 1.091 745 M CB 0.419 32.992 32.600 -0.045 0.000 1.420 745 M HN -0.228 nan 8.290 nan 0.000 0.486 746 D N -1.368 118.928 120.400 -0.174 0.000 2.599 746 D HA 0.390 5.043 4.640 0.023 0.000 0.252 746 D C -1.348 174.852 176.300 -0.167 0.000 1.232 746 D CA -0.399 53.520 54.000 -0.135 0.000 0.819 746 D CB 2.096 42.903 40.800 0.011 0.000 1.401 746 D HN -0.016 nan 8.370 nan 0.000 0.429 747 F N 0.842 120.858 119.950 0.110 0.000 2.449 747 F HA 0.380 4.921 4.527 0.023 0.000 0.342 747 F C 0.084 175.981 175.800 0.162 0.000 1.127 747 F CA -0.838 57.219 58.000 0.096 0.000 0.975 747 F CB 1.660 40.697 39.000 0.061 0.000 1.146 747 F HN 0.092 nan 8.300 nan 0.000 0.444 748 C N 6.166 125.641 119.300 0.292 0.000 2.369 748 C HA 0.773 5.247 4.460 0.023 0.000 0.322 748 C C -0.652 174.438 174.990 0.168 0.000 1.258 748 C CA -0.618 58.532 59.018 0.221 0.000 1.487 748 C CB -0.212 27.591 27.740 0.105 0.000 2.165 748 C HN 0.658 nan 8.230 nan 0.000 0.483 749 I N 5.217 125.954 120.570 0.278 0.000 2.441 749 I HA 0.610 4.794 4.170 0.023 0.000 0.295 749 I C -0.525 175.853 176.117 0.434 0.000 0.994 749 I CA 0.086 61.553 61.300 0.278 0.000 1.144 749 I CB 1.814 39.932 38.000 0.198 0.000 1.314 749 I HN 0.611 nan 8.210 nan 0.000 0.445 750 E N 6.139 126.534 120.200 0.326 0.000 2.331 750 E HA 0.768 5.132 4.350 0.023 0.000 0.275 750 E C -1.469 175.322 176.600 0.319 0.000 0.895 750 E CA -0.699 55.891 56.400 0.316 0.000 0.753 750 E CB 2.564 32.344 29.700 0.133 0.000 1.216 750 E HN 0.368 nan 8.360 nan 0.000 0.434 751 L N 2.084 123.510 121.223 0.339 0.000 2.541 751 L HA 0.640 4.994 4.340 0.023 0.000 0.266 751 L C 0.554 177.520 176.870 0.160 0.000 0.966 751 L CA 0.682 55.679 54.840 0.262 0.000 0.871 751 L CB 1.221 43.490 42.059 0.350 0.000 1.232 751 L HN 0.721 nan 8.230 nan 0.000 0.408 752 G N 4.495 113.354 108.800 0.098 0.000 2.660 752 G HA2 -0.482 3.491 3.960 0.023 0.000 0.321 752 G HA3 -0.482 3.491 3.960 0.023 0.000 0.321 752 G C 0.781 175.689 174.900 0.014 0.000 1.246 752 G CA 0.847 45.977 45.100 0.050 0.000 1.000 752 G HN 0.934 nan 8.290 nan 0.000 0.550 753 N N 1.359 120.056 118.700 -0.005 0.000 2.084 753 N HA -0.028 4.726 4.740 0.023 0.000 0.190 753 N C 1.001 176.460 175.510 -0.084 0.000 1.030 753 N CA 1.805 54.831 53.050 -0.041 0.000 0.849 753 N CB -0.405 38.059 38.487 -0.038 0.000 1.012 753 N HN 0.784 nan 8.380 nan 0.000 0.423 754 K N 0.478 120.804 120.400 -0.124 0.000 2.350 754 K HA 0.175 4.509 4.320 0.023 0.000 0.279 754 K C 0.194 176.572 176.600 -0.371 0.000 1.027 754 K CA -0.147 55.932 56.287 -0.347 0.000 0.969 754 K CB 0.988 33.187 32.500 -0.501 0.000 0.954 754 K HN 0.196 nan 8.250 nan 0.000 0.474 755 R N 2.969 123.215 120.500 -0.425 0.000 2.621 755 R HA 0.339 4.692 4.340 0.023 0.000 0.284 755 R C -1.597 174.660 176.300 -0.072 0.000 0.998 755 R CA -0.633 55.396 56.100 -0.118 0.000 0.895 755 R CB 1.232 31.428 30.300 -0.172 0.000 1.195 755 R HN 0.638 nan 8.270 nan 0.000 0.450 756 W N 3.958 125.365 121.300 0.178 0.000 2.683 756 W HA 0.311 4.985 4.660 0.023 0.000 0.329 756 W C -0.697 175.889 176.519 0.112 0.000 1.037 756 W CA -0.846 56.547 57.345 0.079 0.000 1.232 756 W CB 2.094 31.555 29.460 0.002 0.000 1.390 756 W HN 0.457 nan 8.180 nan 0.000 0.465 757 Q N 2.933 122.867 119.800 0.224 0.000 2.333 757 Q HA 0.402 4.756 4.340 0.023 0.000 0.268 757 Q C -1.787 174.163 176.000 -0.082 0.000 1.007 757 Q CA -0.550 55.366 55.803 0.188 0.000 0.810 757 Q CB 1.324 30.252 28.738 0.317 0.000 1.264 757 Q HN 0.385 nan 8.270 nan 0.000 0.452 758 F N 2.822 122.858 119.950 0.143 0.000 2.411 758 F HA 0.306 4.847 4.527 0.023 0.000 0.352 758 F C 0.687 176.532 175.800 0.075 0.000 1.123 758 F CA -0.752 57.306 58.000 0.096 0.000 1.044 758 F CB 1.192 40.259 39.000 0.112 0.000 1.135 758 F HN 0.471 nan 8.300 nan 0.000 0.461 759 N N 3.643 122.456 118.700 0.188 0.000 2.458 759 N HA 0.101 4.855 4.740 0.023 0.000 0.270 759 N C 0.841 176.386 175.510 0.058 0.000 1.102 759 N CA -0.079 53.034 53.050 0.104 0.000 0.967 759 N CB 0.809 39.362 38.487 0.109 0.000 1.078 759 N HN 0.698 nan 8.380 nan 0.000 0.471 760 R N 1.967 122.428 120.500 -0.065 0.000 2.236 760 R HA -0.008 4.346 4.340 0.023 0.000 0.208 760 R C 1.367 177.614 176.300 -0.088 0.000 1.036 760 R CA 0.857 56.866 56.100 -0.151 0.000 1.001 760 R CB 0.246 30.320 30.300 -0.377 0.000 0.896 760 R HN 0.655 nan 8.270 nan 0.000 0.464 761 Q N -0.088 119.687 119.800 -0.042 0.000 2.354 761 Q HA 0.021 4.375 4.340 0.023 0.000 0.203 761 Q C 1.645 177.649 176.000 0.007 0.000 0.933 761 Q CA 1.423 57.215 55.803 -0.020 0.000 0.901 761 Q CB 0.557 29.287 28.738 -0.012 0.000 1.007 761 Q HN 0.327 nan 8.270 nan 0.000 0.495 762 S N -1.359 114.361 115.700 0.034 0.000 2.524 762 S HA 0.306 4.790 4.470 0.023 0.000 0.222 762 S C 1.435 175.971 174.600 -0.106 0.000 1.040 762 S CA 0.464 58.699 58.200 0.059 0.000 0.915 762 S CB 0.791 64.135 63.200 0.241 0.000 0.831 762 S HN 0.410 nan 8.310 nan 0.000 0.492 763 G N 0.773 109.532 108.800 -0.068 0.000 2.143 763 G HA2 -0.219 3.755 3.960 0.023 0.000 0.248 763 G HA3 -0.219 3.755 3.960 0.023 0.000 0.248 763 G C -0.150 174.688 174.900 -0.102 0.000 0.991 763 G CA 0.299 45.351 45.100 -0.081 0.000 0.689 763 G HN 0.532 nan 8.290 nan 0.000 0.522 764 F N -1.278 118.859 119.950 0.313 0.000 2.556 764 F HA 0.672 5.213 4.527 0.023 0.000 0.327 764 F C 0.499 176.339 175.800 0.067 0.000 1.059 764 F CA -1.490 56.656 58.000 0.242 0.000 0.953 764 F CB 1.393 40.477 39.000 0.139 0.000 1.227 764 F HN 0.014 nan 8.300 nan 0.000 0.478 765 L N 2.033 123.304 121.223 0.079 0.000 2.565 765 L HA 0.162 4.516 4.340 0.023 0.000 0.275 765 L C 0.944 177.705 176.870 -0.182 0.000 1.137 765 L CA 0.486 55.018 54.840 -0.514 0.000 0.915 765 L CB 0.265 41.961 42.059 -0.607 0.000 1.232 765 L HN 0.705 nan 8.230 nan 0.000 0.473 766 S N 2.610 118.207 115.700 -0.172 0.000 2.511 766 S HA 0.284 4.768 4.470 0.023 0.000 0.214 766 S C 0.504 174.993 174.600 -0.186 0.000 0.997 766 S CA 0.025 58.171 58.200 -0.090 0.000 0.908 766 S CB 0.085 63.290 63.200 0.009 0.000 0.803 766 S HN 0.710 nan 8.310 nan 0.000 0.504 767 Q N 0.144 119.776 119.800 -0.280 0.000 2.594 767 Q HA 0.584 4.938 4.340 0.023 0.000 0.278 767 Q C -1.869 173.790 176.000 -0.569 0.000 0.961 767 Q CA -0.392 55.114 55.803 -0.496 0.000 0.844 767 Q CB 1.578 29.928 28.738 -0.647 0.000 1.475 767 Q HN 0.332 nan 8.270 nan 0.000 0.389 768 M N 2.847 121.985 119.600 -0.770 0.000 2.433 768 M HA 0.565 5.058 4.480 0.023 0.000 0.290 768 M C -1.928 173.965 176.300 -0.678 0.000 1.173 768 M CA -0.162 54.777 55.300 -0.602 0.000 0.905 768 M CB 1.651 33.902 32.600 -0.582 0.000 1.692 768 M HN 0.798 nan 8.290 nan 0.000 0.462 769 W N 5.060 126.110 121.300 -0.417 0.000 2.844 769 W HA 0.585 5.259 4.660 0.023 0.000 0.340 769 W C -0.960 175.347 176.519 -0.354 0.000 1.093 769 W CA -0.777 56.383 57.345 -0.308 0.000 1.212 769 W CB 1.885 31.204 29.460 -0.235 0.000 1.422 769 W HN 0.479 nan 8.180 nan 0.000 0.515 770 I N 2.690 123.263 120.570 0.004 0.000 2.406 770 I HA 0.387 4.571 4.170 0.023 0.000 0.290 770 I C 0.924 177.042 176.117 0.002 0.000 0.999 770 I CA -0.084 61.176 61.300 -0.066 0.000 1.124 770 I CB 1.045 38.972 38.000 -0.122 0.000 1.289 770 I HN 0.743 nan 8.210 nan 0.000 0.441 771 G N 6.652 115.439 108.800 -0.020 0.000 2.611 771 G HA2 -0.324 3.649 3.960 0.023 0.000 0.301 771 G HA3 -0.324 3.649 3.960 0.023 0.000 0.301 771 G C 0.442 175.363 174.900 0.035 0.000 1.233 771 G CA 0.708 45.803 45.100 -0.009 0.000 0.993 771 G HN 0.795 nan 8.290 nan 0.000 0.553 772 D N 0.421 120.855 120.400 0.056 0.000 2.369 772 D HA 0.206 4.859 4.640 0.023 0.000 0.211 772 D C 0.873 177.302 176.300 0.215 0.000 1.077 772 D CA 0.153 54.215 54.000 0.104 0.000 0.842 772 D CB 0.264 41.085 40.800 0.035 0.000 0.947 772 D HN 0.237 nan 8.370 nan 0.000 0.509 773 K N 1.602 122.088 120.400 0.143 0.000 2.312 773 K HA 0.238 4.572 4.320 0.023 0.000 0.287 773 K C -0.173 176.398 176.600 -0.049 0.000 1.062 773 K CA -0.252 56.065 56.287 0.050 0.000 0.934 773 K CB 0.844 33.337 32.500 -0.013 0.000 1.027 773 K HN -0.099 nan 8.250 nan 0.000 0.478 774 K N 2.194 122.480 120.400 -0.190 0.000 2.237 774 K HA 0.125 4.459 4.320 0.023 0.000 0.270 774 K C 0.893 177.274 176.600 -0.364 0.000 1.015 774 K CA -0.138 55.825 56.287 -0.540 0.000 0.949 774 K CB 0.829 33.066 32.500 -0.439 0.000 0.976 774 K HN 0.428 nan 8.250 nan 0.000 0.472 775 Q N 1.066 120.613 119.800 -0.422 0.000 2.322 775 Q HA 0.196 4.550 4.340 0.023 0.000 0.250 775 Q C -0.068 175.846 176.000 -0.142 0.000 0.853 775 Q CA 0.272 55.963 55.803 -0.188 0.000 0.951 775 Q CB 0.647 29.334 28.738 -0.085 0.000 1.114 775 Q HN 0.488 nan 8.270 nan 0.000 0.523 776 L N 1.264 122.340 121.223 -0.246 0.000 2.334 776 L HA 0.358 4.711 4.340 0.023 0.000 0.275 776 L C 1.125 177.865 176.870 -0.217 0.000 1.036 776 L CA -0.299 54.418 54.840 -0.204 0.000 0.807 776 L CB 1.231 43.158 42.059 -0.221 0.000 1.231 776 L HN -0.009 nan 8.230 nan 0.000 0.438 777 L N 0.298 121.383 121.223 -0.230 0.000 2.515 777 L HA 0.243 4.596 4.340 0.023 0.000 0.223 777 L C 0.177 176.924 176.870 -0.206 0.000 1.079 777 L CA 0.584 55.291 54.840 -0.223 0.000 0.857 777 L CB 0.516 42.417 42.059 -0.264 0.000 1.050 777 L HN 0.608 nan 8.230 nan 0.000 0.476 778 T N 0.393 114.806 114.554 -0.235 0.000 2.993 778 T HA 0.389 4.753 4.350 0.023 0.000 0.312 778 T C -2.612 172.015 174.700 -0.122 0.000 1.115 778 T CA -1.024 60.986 62.100 -0.150 0.000 1.027 778 T CB 2.726 71.503 68.868 -0.151 0.000 1.116 778 T HN -0.252 nan 8.240 nan 0.000 0.464 779 P HA 0.172 nan 4.420 nan 0.000 0.268 779 P C -0.560 176.697 177.300 -0.071 0.000 1.208 779 P CA -0.736 62.325 63.100 -0.064 0.000 0.777 779 P CB 0.422 32.111 31.700 -0.018 0.000 0.875 780 L N 3.695 124.914 121.223 -0.008 0.000 2.456 780 L HA 0.175 4.528 4.340 0.023 0.000 0.277 780 L C 0.273 177.101 176.870 -0.070 0.000 1.124 780 L CA 0.765 55.637 54.840 0.052 0.000 0.880 780 L CB -0.844 41.351 42.059 0.227 0.000 1.192 780 L HN 0.305 nan 8.230 nan 0.000 0.463 781 R N 2.778 123.145 120.500 -0.222 0.000 2.837 781 R HA 0.474 4.828 4.340 0.023 0.000 0.271 781 R C -0.937 175.237 176.300 -0.210 0.000 0.993 781 R CA -1.071 54.740 56.100 -0.482 0.000 0.931 781 R CB 1.178 31.020 30.300 -0.764 0.000 1.206 781 R HN 0.513 nan 8.270 nan 0.000 0.474 782 D N 1.112 121.441 120.400 -0.118 0.000 2.382 782 D HA 0.061 4.715 4.640 0.023 0.000 0.240 782 D C -0.469 175.406 176.300 -0.709 0.000 1.146 782 D CA 0.365 54.138 54.000 -0.378 0.000 0.897 782 D CB 0.711 41.221 40.800 -0.484 0.000 1.197 782 D HN 0.194 nan 8.370 nan 0.000 0.432 783 Q N 1.122 120.323 119.800 -0.998 0.000 2.305 783 Q HA 0.359 4.713 4.340 0.023 0.000 0.271 783 Q C -1.212 174.040 176.000 -1.247 0.000 1.046 783 Q CA -0.605 54.656 55.803 -0.904 0.000 0.798 783 Q CB 0.936 29.376 28.738 -0.496 0.000 1.286 783 Q HN 0.575 nan 8.270 nan 0.000 0.435 784 F N 0.516 120.067 119.950 -0.664 0.000 2.746 784 F HA 0.200 4.740 4.527 0.023 0.000 0.320 784 F C 0.543 175.890 175.800 -0.755 0.000 1.097 784 F CA -0.243 57.248 58.000 -0.849 0.000 1.195 784 F CB 1.551 39.711 39.000 -1.401 0.000 1.056 784 F HN 0.428 nan 8.300 nan 0.000 0.562 785 T N -0.773 113.467 114.554 -0.523 0.000 2.907 785 T HA 0.762 5.125 4.350 0.023 0.000 0.290 785 T C -0.605 173.850 174.700 -0.407 0.000 1.066 785 T CA -0.989 60.742 62.100 -0.615 0.000 1.012 785 T CB 2.719 71.171 68.868 -0.694 0.000 1.184 785 T HN 0.243 nan 8.240 nan 0.000 0.522 786 R N -0.195 120.111 120.500 -0.323 0.000 2.771 786 R HA 0.761 5.115 4.340 0.023 0.000 0.274 786 R C -0.816 175.548 176.300 0.107 0.000 0.987 786 R CA -1.179 54.862 56.100 -0.098 0.000 0.908 786 R CB 1.528 31.774 30.300 -0.090 0.000 1.213 786 R HN 0.846 nan 8.270 nan 0.000 0.468 787 A N 3.764 126.629 122.820 0.075 0.000 2.522 787 A HA 0.270 4.604 4.320 0.023 0.000 0.256 787 A C -1.980 175.678 177.584 0.125 0.000 1.086 787 A CA -1.186 50.893 52.037 0.070 0.000 0.763 787 A CB -0.438 18.546 19.000 -0.026 0.000 1.024 787 A HN 0.593 nan 8.150 nan 0.000 0.502 788 P HA 0.158 nan 4.420 nan 0.000 0.267 788 P C -0.202 177.221 177.300 0.206 0.000 1.205 788 P CA 0.264 63.532 63.100 0.278 0.000 0.765 788 P CB 0.437 32.337 31.700 0.332 0.000 0.828 789 L N 2.320 123.630 121.223 0.144 0.000 2.479 789 L HA 0.181 4.534 4.340 0.023 0.000 0.248 789 L C 1.839 178.732 176.870 0.038 0.000 1.205 789 L CA -0.482 54.380 54.840 0.036 0.000 0.817 789 L CB -0.141 41.862 42.059 -0.093 0.000 1.162 789 L HN 0.292 nan 8.230 nan 0.000 0.486 790 D N 0.111 120.468 120.400 -0.071 0.000 2.144 790 D HA -0.140 4.514 4.640 0.023 0.000 0.199 790 D C 1.651 177.872 176.300 -0.132 0.000 0.984 790 D CA 1.249 55.127 54.000 -0.203 0.000 0.834 790 D CB 0.001 40.599 40.800 -0.338 0.000 0.955 790 D HN 0.458 nan 8.370 nan 0.000 0.465 791 N N 1.067 119.712 118.700 -0.093 0.000 2.309 791 N HA -0.108 4.646 4.740 0.023 0.000 0.182 791 N C 1.119 176.641 175.510 0.021 0.000 1.018 791 N CA 0.701 53.726 53.050 -0.042 0.000 0.876 791 N CB -0.130 38.325 38.487 -0.054 0.000 0.972 791 N HN 0.231 nan 8.380 nan 0.000 0.434 792 D N 0.201 120.628 120.400 0.045 0.000 2.234 792 D HA 0.070 4.724 4.640 0.023 0.000 0.205 792 D C 1.919 178.261 176.300 0.071 0.000 0.962 792 D CA 0.364 54.424 54.000 0.100 0.000 0.855 792 D CB 0.227 41.160 40.800 0.222 0.000 0.951 792 D HN 0.316 nan 8.370 nan 0.000 0.500 793 I N -0.069 120.527 120.570 0.043 0.000 2.731 793 I HA 0.091 4.275 4.170 0.023 0.000 0.260 793 I C 1.784 177.916 176.117 0.025 0.000 1.138 793 I CA 0.504 61.817 61.300 0.020 0.000 1.461 793 I CB -0.193 37.788 38.000 -0.032 0.000 1.128 793 I HN 0.038 nan 8.210 nan 0.000 0.438 794 G N 1.554 110.382 108.800 0.047 0.000 2.611 794 G HA2 -0.368 3.606 3.960 0.023 0.000 0.301 794 G HA3 -0.368 3.606 3.960 0.023 0.000 0.301 794 G C 0.737 175.800 174.900 0.271 0.000 1.233 794 G CA 0.901 46.102 45.100 0.168 0.000 0.993 794 G HN 0.570 nan 8.290 nan 0.000 0.553 795 V N -1.627 118.397 119.914 0.183 0.000 3.514 795 V HA 0.621 4.755 4.120 0.023 0.000 0.301 795 V C 1.210 177.323 176.094 0.032 0.000 1.346 795 V CA 1.207 63.566 62.300 0.097 0.000 1.156 795 V CB 0.002 31.763 31.823 -0.103 0.000 1.029 795 V HN 1.263 nan 8.190 nan 0.000 0.428 796 S N 1.623 117.340 115.700 0.029 0.000 2.560 796 S HA 0.302 4.785 4.470 0.023 0.000 0.284 796 S C -0.037 174.567 174.600 0.006 0.000 1.327 796 S CA -0.036 58.165 58.200 0.001 0.000 1.055 796 S CB 0.174 63.371 63.200 -0.005 0.000 0.868 796 S HN 0.786 nan 8.310 nan 0.000 0.506 797 E N 1.386 121.586 120.200 -0.001 0.000 2.408 797 E HA 0.417 4.781 4.350 0.023 0.000 0.275 797 E C 0.500 177.105 176.600 0.008 0.000 0.935 797 E CA -0.683 55.721 56.400 0.007 0.000 0.775 797 E CB 1.577 31.278 29.700 0.001 0.000 1.277 797 E HN 0.567 nan 8.360 nan 0.000 0.455 798 A N 0.972 123.803 122.820 0.018 0.000 1.978 798 A HA -0.193 4.141 4.320 0.023 0.000 0.220 798 A C 2.032 179.624 177.584 0.013 0.000 1.170 798 A CA 2.592 54.640 52.037 0.018 0.000 0.636 798 A CB -0.685 18.332 19.000 0.027 0.000 0.810 798 A HN 0.647 nan 8.150 nan 0.000 0.448 799 T N -2.305 112.255 114.554 0.011 0.000 2.942 799 T HA -0.034 4.330 4.350 0.023 0.000 0.265 799 T C 0.986 175.683 174.700 -0.005 0.000 1.062 799 T CA 1.251 63.354 62.100 0.005 0.000 1.139 799 T CB -0.089 68.783 68.868 0.007 0.000 0.883 799 T HN 0.446 nan 8.240 nan 0.000 0.468 800 R N 0.894 121.387 120.500 -0.011 0.000 2.850 800 R HA 0.386 4.740 4.340 0.023 0.000 0.266 800 R C -1.234 175.052 176.300 -0.024 0.000 1.782 800 R CA -0.648 55.438 56.100 -0.023 0.000 1.310 800 R CB -0.159 30.120 30.300 -0.036 0.000 1.337 800 R HN 0.145 nan 8.270 nan 0.000 0.546 801 I N 2.196 122.754 120.570 -0.019 0.000 2.648 801 I HA 0.069 4.252 4.170 0.023 0.000 0.284 801 I C 0.209 176.306 176.117 -0.034 0.000 1.153 801 I CA 0.150 61.437 61.300 -0.021 0.000 1.426 801 I CB 0.928 38.919 38.000 -0.015 0.000 1.381 801 I HN 0.640 nan 8.210 nan 0.000 0.571 802 D N 8.999 129.376 120.400 -0.039 0.000 2.467 802 D HA 0.273 4.927 4.640 0.023 0.000 0.220 802 D C -1.707 174.548 176.300 -0.075 0.000 1.103 802 D CA -2.167 51.800 54.000 -0.055 0.000 0.886 802 D CB 1.386 42.156 40.800 -0.050 0.000 1.025 802 D HN 0.186 nan 8.370 nan 0.000 0.514 803 P HA -0.092 nan 4.420 nan 0.000 0.225 803 P C 0.965 178.172 177.300 -0.154 0.000 1.148 803 P CA 0.629 63.669 63.100 -0.100 0.000 0.779 803 P CB 0.227 31.878 31.700 -0.082 0.000 0.780 804 N N -0.188 118.416 118.700 -0.160 0.000 2.416 804 N HA -0.003 4.750 4.740 0.023 0.000 0.177 804 N C 0.482 175.805 175.510 -0.312 0.000 1.036 804 N CA -0.099 52.814 53.050 -0.229 0.000 0.901 804 N CB -0.020 38.362 38.487 -0.175 0.000 0.976 804 N HN -0.036 nan 8.380 nan 0.000 0.444 805 A N 0.418 123.102 122.820 -0.225 0.000 2.520 805 A HA -0.044 4.290 4.320 0.023 0.000 0.235 805 A C 0.575 177.956 177.584 -0.338 0.000 1.065 805 A CA -0.259 51.646 52.037 -0.221 0.000 0.764 805 A CB -0.187 18.755 19.000 -0.096 0.000 1.002 805 A HN 0.492 nan 8.150 nan 0.000 0.502 806 W N 1.637 122.687 121.300 -0.417 0.000 2.318 806 W HA -0.180 4.494 4.660 0.023 0.000 0.313 806 W C 2.229 178.167 176.519 -0.969 0.000 1.221 806 W CA 1.747 58.586 57.345 -0.843 0.000 1.266 806 W CB -0.295 28.559 29.460 -1.009 0.000 1.150 806 W HN 0.564 nan 8.180 nan 0.000 0.496 807 V N 0.904 120.687 119.914 -0.220 0.000 2.392 807 V HA -0.267 3.867 4.120 0.023 0.000 0.249 807 V C 2.099 178.270 176.094 0.128 0.000 1.059 807 V CA 2.117 64.496 62.300 0.130 0.000 1.051 807 V CB -0.340 31.611 31.823 0.213 0.000 0.658 807 V HN 0.118 nan 8.190 nan 0.000 0.455 808 E N -0.144 120.038 120.200 -0.030 0.000 2.107 808 E HA -0.186 4.178 4.350 0.023 0.000 0.191 808 E C 2.335 178.899 176.600 -0.061 0.000 0.982 808 E CA 1.046 57.428 56.400 -0.029 0.000 0.809 808 E CB -0.271 29.394 29.700 -0.058 0.000 0.756 808 E HN 0.606 nan 8.360 nan 0.000 0.459 809 R N 0.030 120.416 120.500 -0.190 0.000 2.073 809 R HA -0.112 4.241 4.340 0.023 0.000 0.234 809 R C 2.349 178.585 176.300 -0.106 0.000 1.134 809 R CA 1.422 57.389 56.100 -0.223 0.000 0.952 809 R CB -0.176 29.870 30.300 -0.423 0.000 0.850 809 R HN 0.252 nan 8.270 nan 0.000 0.433 810 W N 1.369 122.639 121.300 -0.049 0.000 2.355 810 W HA -0.113 4.561 4.660 0.023 0.000 0.309 810 W C 1.928 178.407 176.519 -0.068 0.000 1.206 810 W CA 0.813 58.042 57.345 -0.193 0.000 1.284 810 W CB -0.755 28.701 29.460 -0.007 0.000 1.145 810 W HN 0.128 nan 8.180 nan 0.000 0.502 811 K N 0.143 120.755 120.400 0.353 0.000 2.026 811 K HA -0.099 4.235 4.320 0.023 0.000 0.208 811 K C 2.321 178.978 176.600 0.095 0.000 1.048 811 K CA 1.800 58.256 56.287 0.282 0.000 0.929 811 K CB -0.604 32.019 32.500 0.205 0.000 0.713 811 K HN -0.011 nan 8.250 nan 0.000 0.439 812 A N 1.290 124.135 122.820 0.041 0.000 1.933 812 A HA -0.102 4.232 4.320 0.023 0.000 0.218 812 A C 2.233 179.799 177.584 -0.031 0.000 1.175 812 A CA 1.827 53.867 52.037 0.006 0.000 0.628 812 A CB -0.582 18.411 19.000 -0.011 0.000 0.814 812 A HN 0.344 nan 8.150 nan 0.000 0.444 813 A N -1.879 120.897 122.820 -0.073 0.000 2.235 813 A HA 0.395 4.728 4.320 0.023 0.000 0.208 813 A C 1.785 179.265 177.584 -0.173 0.000 1.172 813 A CA 1.248 53.241 52.037 -0.073 0.000 0.786 813 A CB -0.937 17.989 19.000 -0.124 0.000 0.804 813 A HN 1.920 nan 8.150 nan 0.000 0.479 814 G N -1.668 106.929 108.800 -0.337 0.000 2.132 814 G HA2 -0.295 3.679 3.960 0.023 0.000 0.234 814 G HA3 -0.295 3.679 3.960 0.023 0.000 0.234 814 G C 0.563 175.437 174.900 -0.043 0.000 0.989 814 G CA 0.651 45.302 45.100 -0.749 0.000 0.676 814 G HN 0.744 nan 8.290 nan 0.000 0.522 815 H N -1.516 117.532 119.070 -0.036 0.000 2.387 815 H HA -0.059 4.511 4.556 0.023 0.000 0.299 815 H C 2.174 177.489 175.328 -0.023 0.000 1.090 815 H CA 1.565 57.611 56.048 -0.003 0.000 1.332 815 H CB 0.114 29.802 29.762 -0.123 0.000 1.386 815 H HN 0.605 nan 8.280 nan 0.000 0.516 816 Y N 0.316 120.749 120.300 0.221 0.000 2.519 816 Y HA -0.077 4.487 4.550 0.023 0.000 0.287 816 Y C 1.636 177.627 175.900 0.151 0.000 1.128 816 Y CA 0.191 58.381 58.100 0.151 0.000 1.282 816 Y CB 0.482 39.012 38.460 0.117 0.000 1.027 816 Y HN 0.161 nan 8.280 nan 0.000 0.551 817 Q N -0.064 119.910 119.800 0.290 0.000 2.282 817 Q HA 0.318 4.672 4.340 0.023 0.000 0.206 817 Q C 0.625 176.821 176.000 0.326 0.000 0.878 817 Q CA 0.002 55.974 55.803 0.281 0.000 0.944 817 Q CB -0.184 28.733 28.738 0.297 0.000 1.100 817 Q HN 0.247 nan 8.270 nan 0.000 0.509 818 A N 2.113 125.141 122.820 0.347 0.000 2.531 818 A HA 0.149 4.482 4.320 0.023 0.000 0.236 818 A C 0.109 177.968 177.584 0.459 0.000 1.062 818 A CA 0.112 52.409 52.037 0.434 0.000 0.760 818 A CB 0.216 19.529 19.000 0.522 0.000 0.995 818 A HN 0.132 nan 8.150 nan 0.000 0.501 819 E N 1.390 121.803 120.200 0.356 0.000 2.158 819 E HA 0.495 4.859 4.350 0.023 0.000 0.271 819 E C -0.510 176.099 176.600 0.016 0.000 0.911 819 E CA -0.614 55.915 56.400 0.215 0.000 0.767 819 E CB 1.741 31.530 29.700 0.148 0.000 1.120 819 E HN 0.679 nan 8.360 nan 0.000 0.405 820 A N 2.480 125.223 122.820 -0.129 0.000 2.354 820 A HA 0.522 4.856 4.320 0.023 0.000 0.281 820 A C -0.091 177.386 177.584 -0.179 0.000 1.174 820 A CA -0.301 51.411 52.037 -0.541 0.000 0.828 820 A CB 0.316 19.133 19.000 -0.305 0.000 1.099 820 A HN 0.643 nan 8.150 nan 0.000 0.516 821 A N 2.912 125.609 122.820 -0.205 0.000 2.303 821 A HA 0.588 4.922 4.320 0.023 0.000 0.320 821 A C -0.409 177.106 177.584 -0.116 0.000 1.192 821 A CA -0.581 51.403 52.037 -0.089 0.000 0.821 821 A CB 0.518 19.479 19.000 -0.065 0.000 1.188 821 A HN 1.177 nan 8.150 nan 0.000 0.492 822 L N 3.218 124.366 121.223 -0.125 0.000 2.418 822 L HA 0.269 4.622 4.340 0.023 0.000 0.274 822 L C 0.476 177.212 176.870 -0.224 0.000 1.135 822 L CA 0.437 55.097 54.840 -0.301 0.000 0.870 822 L CB 0.185 42.096 42.059 -0.246 0.000 1.154 822 L HN 0.767 nan 8.230 nan 0.000 0.462 823 L N 3.410 124.482 121.223 -0.253 0.000 2.537 823 L HA 0.337 4.690 4.340 0.023 0.000 0.224 823 L C 0.507 177.305 176.870 -0.120 0.000 1.065 823 L CA 0.019 54.777 54.840 -0.136 0.000 0.860 823 L CB 0.001 42.009 42.059 -0.086 0.000 1.086 823 L HN 0.674 nan 8.230 nan 0.000 0.482 824 Q N -0.256 119.445 119.800 -0.165 0.000 2.438 824 Q HA 0.308 4.661 4.340 0.023 0.000 0.272 824 Q C -2.174 173.767 176.000 -0.097 0.000 0.994 824 Q CA -0.386 55.360 55.803 -0.095 0.000 0.887 824 Q CB 3.200 31.906 28.738 -0.053 0.000 1.432 824 Q HN 0.067 nan 8.270 nan 0.000 0.392 825 C N 3.038 122.328 119.300 -0.017 0.000 2.887 825 C HA 0.704 5.178 4.460 0.023 0.000 0.379 825 C C -0.828 174.281 174.990 0.199 0.000 1.064 825 C CA 0.329 59.389 59.018 0.071 0.000 1.282 825 C CB 0.525 28.297 27.740 0.054 0.000 1.749 825 C HN 0.818 nan 8.230 nan 0.000 0.489 826 T N 2.447 117.073 114.554 0.119 0.000 2.906 826 T HA 0.901 5.264 4.350 0.023 0.000 0.295 826 T C -0.548 173.937 174.700 -0.359 0.000 1.075 826 T CA -0.236 61.876 62.100 0.020 0.000 1.005 826 T CB 1.967 70.821 68.868 -0.024 0.000 1.136 826 T HN 1.698 nan 8.240 nan 0.000 0.498 827 A N 1.883 124.292 122.820 -0.685 0.000 2.356 827 A HA 0.753 5.087 4.320 0.023 0.000 0.310 827 A C -1.208 176.108 177.584 -0.448 0.000 1.075 827 A CA -0.725 50.768 52.037 -0.908 0.000 0.746 827 A CB 1.164 19.053 19.000 -1.851 0.000 1.221 827 A HN 0.863 nan 8.150 nan 0.000 0.443 828 D N 1.401 121.611 120.400 -0.317 0.000 2.819 828 D HA 0.508 5.161 4.640 0.023 0.000 0.232 828 D C -0.586 175.622 176.300 -0.153 0.000 1.160 828 D CA 0.016 53.905 54.000 -0.185 0.000 0.858 828 D CB 2.225 42.948 40.800 -0.129 0.000 1.610 828 D HN 0.618 nan 8.370 nan 0.000 0.481 829 T N -0.413 114.081 114.554 -0.100 0.000 2.799 829 T HA 0.698 5.062 4.350 0.023 0.000 0.286 829 T C 0.317 174.986 174.700 -0.052 0.000 0.973 829 T CA -0.609 61.451 62.100 -0.068 0.000 1.035 829 T CB 0.751 69.601 68.868 -0.030 0.000 0.932 829 T HN 0.202 nan 8.240 nan 0.000 0.469 830 L N 2.161 123.354 121.223 -0.049 0.000 2.421 830 L HA 0.697 5.051 4.340 0.023 0.000 0.267 830 L C 2.059 178.913 176.870 -0.026 0.000 1.036 830 L CA -1.402 53.415 54.840 -0.038 0.000 0.829 830 L CB 0.402 42.436 42.059 -0.041 0.000 1.437 830 L HN 0.755 nan 8.230 nan 0.000 0.488 831 A N 0.193 123.000 122.820 -0.022 0.000 2.019 831 A HA -0.136 4.198 4.320 0.023 0.000 0.219 831 A C 1.021 178.594 177.584 -0.017 0.000 1.164 831 A CA 1.934 53.961 52.037 -0.017 0.000 0.644 831 A CB -0.481 18.509 19.000 -0.016 0.000 0.805 831 A HN 0.890 nan 8.150 nan 0.000 0.449 832 D N -2.925 117.463 120.400 -0.021 0.000 2.594 832 D HA 0.522 5.176 4.640 0.023 0.000 0.256 832 D C -0.047 176.239 176.300 -0.024 0.000 1.393 832 D CA 0.676 54.663 54.000 -0.020 0.000 0.797 832 D CB -0.353 40.432 40.800 -0.025 0.000 1.110 832 D HN 0.436 nan 8.370 nan 0.000 0.495 833 A N -0.463 122.336 122.820 -0.034 0.000 2.599 833 A HA 0.630 4.963 4.320 0.023 0.000 0.290 833 A C -1.686 175.855 177.584 -0.071 0.000 1.101 833 A CA -0.687 51.316 52.037 -0.055 0.000 0.674 833 A CB 1.658 20.620 19.000 -0.063 0.000 1.277 833 A HN 0.002 nan 8.150 nan 0.000 0.419 834 V N 0.897 120.747 119.914 -0.107 0.000 2.459 834 V HA 0.547 4.681 4.120 0.023 0.000 0.295 834 V C -0.829 175.167 176.094 -0.164 0.000 1.029 834 V CA -0.405 61.814 62.300 -0.135 0.000 0.874 834 V CB 1.283 33.018 31.823 -0.147 0.000 0.985 834 V HN 0.792 nan 8.190 nan 0.000 0.438 835 L N 7.004 128.124 121.223 -0.171 0.000 2.280 835 L HA 0.604 4.958 4.340 0.023 0.000 0.287 835 L C -0.628 176.099 176.870 -0.237 0.000 1.023 835 L CA 0.184 54.927 54.840 -0.162 0.000 0.819 835 L CB 0.910 42.899 42.059 -0.116 0.000 1.212 835 L HN 0.402 nan 8.230 nan 0.000 0.420 836 I N 4.197 124.616 120.570 -0.253 0.000 2.412 836 I HA 0.436 4.619 4.170 0.023 0.000 0.296 836 I C -0.120 175.931 176.117 -0.109 0.000 0.987 836 I CA -0.273 60.817 61.300 -0.349 0.000 1.180 836 I CB 1.718 39.271 38.000 -0.746 0.000 1.340 836 I HN 0.553 nan 8.210 nan 0.000 0.455 837 T N 4.343 118.845 114.554 -0.087 0.000 2.824 837 T HA 0.642 5.006 4.350 0.023 0.000 0.282 837 T C 0.066 174.793 174.700 0.045 0.000 0.993 837 T CA -0.581 61.520 62.100 0.001 0.000 0.967 837 T CB 1.973 70.823 68.868 -0.030 0.000 0.960 837 T HN 0.775 nan 8.240 nan 0.000 0.441 838 T N -0.721 113.895 114.554 0.103 0.000 2.883 838 T HA 0.884 5.247 4.350 0.023 0.000 0.296 838 T C -1.233 173.498 174.700 0.052 0.000 1.117 838 T CA -1.136 61.010 62.100 0.076 0.000 1.006 838 T CB 2.056 71.049 68.868 0.209 0.000 1.191 838 T HN 0.842 nan 8.240 nan 0.000 0.508 839 A N 1.402 124.161 122.820 -0.101 0.000 2.465 839 A HA 0.719 5.053 4.320 0.023 0.000 0.292 839 A C -1.469 175.948 177.584 -0.278 0.000 1.041 839 A CA -0.768 51.245 52.037 -0.040 0.000 0.718 839 A CB 0.739 19.740 19.000 0.002 0.000 1.266 839 A HN 0.990 nan 8.150 nan 0.000 0.403 840 H N 0.328 119.423 119.070 0.042 0.000 2.747 840 H HA 0.791 5.361 4.556 0.023 0.000 0.371 840 H C 0.045 175.322 175.328 -0.085 0.000 1.161 840 H CA 0.268 56.225 56.048 -0.152 0.000 1.167 840 H CB 2.158 31.665 29.762 -0.426 0.000 1.732 840 H HN 0.989 nan 8.280 nan 0.000 0.544 841 A N 2.085 124.856 122.820 -0.080 0.000 2.343 841 A HA 0.407 4.741 4.320 0.023 0.000 0.316 841 A C -1.316 176.212 177.584 -0.093 0.000 1.104 841 A CA -0.706 51.371 52.037 0.066 0.000 0.768 841 A CB 1.055 20.085 19.000 0.050 0.000 1.213 841 A HN 0.592 nan 8.150 nan 0.000 0.456 842 W N 2.148 123.571 121.300 0.205 0.000 2.349 842 W HA 0.430 5.104 4.660 0.023 0.000 0.309 842 W C -0.286 176.275 176.519 0.070 0.000 1.083 842 W CA -0.118 57.350 57.345 0.205 0.000 1.224 842 W CB 1.579 31.238 29.460 0.331 0.000 1.256 842 W HN 0.763 nan 8.180 nan 0.000 0.461 843 Q N 1.313 121.251 119.800 0.229 0.000 2.528 843 Q HA 0.385 4.739 4.340 0.023 0.000 0.289 843 Q C -0.973 175.159 176.000 0.220 0.000 1.091 843 Q CA -0.942 54.955 55.803 0.156 0.000 0.797 843 Q CB 3.526 32.316 28.738 0.087 0.000 1.466 843 Q HN 0.394 nan 8.270 nan 0.000 0.436 844 H N 1.431 120.540 119.070 0.066 0.000 3.092 844 H HA 0.103 4.673 4.556 0.023 0.000 0.308 844 H C -0.846 174.517 175.328 0.058 0.000 1.047 844 H CA -0.071 56.025 56.048 0.080 0.000 1.466 844 H CB 0.820 30.640 29.762 0.096 0.000 1.597 844 H HN 0.771 nan 8.280 nan 0.000 0.512 845 Q N 3.212 122.854 119.800 -0.264 0.000 2.439 845 Q HA -0.269 4.084 4.340 0.023 0.000 0.325 845 Q C 0.955 176.911 176.000 -0.074 0.000 1.372 845 Q CA 0.986 56.661 55.803 -0.212 0.000 0.909 845 Q CB -1.271 27.251 28.738 -0.359 0.000 1.167 845 Q HN 1.200 nan 8.270 nan 0.000 0.418 846 G N -0.283 108.502 108.800 -0.025 0.000 2.284 846 G HA2 -0.354 3.619 3.960 0.023 0.000 0.230 846 G HA3 -0.354 3.619 3.960 0.023 0.000 0.230 846 G C 0.098 175.010 174.900 0.019 0.000 1.021 846 G CA 0.303 45.403 45.100 -0.001 0.000 0.619 846 G HN 0.423 nan 8.290 nan 0.000 0.510 847 K N 1.662 122.083 120.400 0.035 0.000 2.172 847 K HA 0.631 4.965 4.320 0.023 0.000 0.276 847 K C -0.147 176.471 176.600 0.030 0.000 1.013 847 K CA 0.044 56.352 56.287 0.035 0.000 0.913 847 K CB 0.942 33.471 32.500 0.047 0.000 1.055 847 K HN 0.020 nan 8.250 nan 0.000 0.461 848 T N 5.635 120.197 114.554 0.012 0.000 2.761 848 T HA 0.195 4.558 4.350 0.023 0.000 0.296 848 T C 1.041 175.691 174.700 -0.084 0.000 0.934 848 T CA -0.404 61.698 62.100 0.003 0.000 1.091 848 T CB 0.427 69.312 68.868 0.028 0.000 0.896 848 T HN 0.557 nan 8.240 nan 0.000 0.515 849 L N 2.449 123.539 121.223 -0.221 0.000 2.130 849 L HA 0.350 4.704 4.340 0.023 0.000 0.200 849 L C -0.095 176.302 176.870 -0.787 0.000 1.075 849 L CA 0.844 55.274 54.840 -0.683 0.000 0.768 849 L CB 0.054 41.316 42.059 -1.328 0.000 0.933 849 L HN 0.530 nan 8.230 nan 0.000 0.451 850 F N -1.223 118.695 119.950 -0.053 0.000 2.613 850 F HA 0.587 5.127 4.527 0.023 0.000 0.310 850 F C -0.519 175.412 175.800 0.219 0.000 1.085 850 F CA -0.809 57.108 58.000 -0.139 0.000 0.945 850 F CB 1.925 40.412 39.000 -0.855 0.000 1.298 850 F HN -0.322 nan 8.300 nan 0.000 0.455 851 I N 1.343 122.159 120.570 0.410 0.000 2.533 851 I HA 0.416 4.599 4.170 0.023 0.000 0.290 851 I C -0.916 175.504 176.117 0.504 0.000 1.056 851 I CA -0.605 60.969 61.300 0.457 0.000 1.057 851 I CB 2.326 40.485 38.000 0.265 0.000 1.240 851 I HN 0.564 nan 8.210 nan 0.000 0.423 852 S N 6.481 122.588 115.700 0.680 0.000 2.552 852 S HA 0.569 5.052 4.470 0.023 0.000 0.314 852 S C -0.782 174.071 174.600 0.421 0.000 1.099 852 S CA -0.689 57.867 58.200 0.594 0.000 1.070 852 S CB 0.755 64.470 63.200 0.858 0.000 0.998 852 S HN 0.547 nan 8.310 nan 0.000 0.474 853 R N 3.554 124.215 120.500 0.269 0.000 2.437 853 R HA 0.568 4.921 4.340 0.023 0.000 0.310 853 R C -0.747 175.619 176.300 0.110 0.000 0.955 853 R CA -0.743 55.462 56.100 0.176 0.000 0.851 853 R CB 1.832 32.210 30.300 0.129 0.000 1.161 853 R HN 0.550 nan 8.270 nan 0.000 0.446 854 K N 0.581 121.028 120.400 0.078 0.000 2.480 854 K HA 0.474 4.808 4.320 0.023 0.000 0.258 854 K C -0.866 175.681 176.600 -0.089 0.000 0.990 854 K CA -0.868 55.381 56.287 -0.063 0.000 0.857 854 K CB 2.593 35.003 32.500 -0.151 0.000 1.384 854 K HN 0.632 nan 8.250 nan 0.000 0.446 855 T N -1.358 113.072 114.554 -0.208 0.000 2.916 855 T HA 0.547 4.911 4.350 0.023 0.000 0.298 855 T C -1.402 173.157 174.700 -0.235 0.000 1.031 855 T CA -0.752 61.268 62.100 -0.133 0.000 0.993 855 T CB 0.452 69.284 68.868 -0.060 0.000 1.045 855 T HN 0.388 nan 8.240 nan 0.000 0.454 856 Y N 1.091 121.350 120.300 -0.068 0.000 2.331 856 Y HA 0.634 5.197 4.550 0.023 0.000 0.334 856 Y C 0.537 176.361 175.900 -0.128 0.000 0.960 856 Y CA -1.099 56.975 58.100 -0.043 0.000 1.130 856 Y CB 1.866 40.322 38.460 -0.007 0.000 1.164 856 Y HN 0.560 nan 8.280 nan 0.000 0.458 857 R N 4.399 124.927 120.500 0.048 0.000 2.360 857 R HA 0.610 4.964 4.340 0.023 0.000 0.318 857 R C -1.623 174.628 176.300 -0.082 0.000 0.950 857 R CA -0.581 55.497 56.100 -0.036 0.000 0.837 857 R CB 0.725 31.011 30.300 -0.023 0.000 1.165 857 R HN 0.783 nan 8.270 nan 0.000 0.458 858 I N 4.991 125.451 120.570 -0.183 0.000 2.355 858 I HA 0.156 4.340 4.170 0.023 0.000 0.288 858 I C -0.001 175.999 176.117 -0.194 0.000 0.999 858 I CA -0.647 60.467 61.300 -0.310 0.000 1.163 858 I CB 1.418 39.032 38.000 -0.644 0.000 1.316 858 I HN 0.615 nan 8.210 nan 0.000 0.454 859 D N 4.481 124.810 120.400 -0.118 0.000 2.478 859 D HA 0.223 4.877 4.640 0.023 0.000 0.263 859 D C 1.260 177.550 176.300 -0.017 0.000 1.153 859 D CA -0.760 53.209 54.000 -0.051 0.000 1.038 859 D CB 0.856 41.646 40.800 -0.017 0.000 1.120 859 D HN 0.477 nan 8.370 nan 0.000 0.564 860 G N -1.317 107.486 108.800 0.006 0.000 2.559 860 G HA2 -0.134 3.840 3.960 0.023 0.000 0.216 860 G HA3 -0.134 3.840 3.960 0.023 0.000 0.216 860 G C 0.979 175.917 174.900 0.063 0.000 1.126 860 G CA 0.773 45.894 45.100 0.035 0.000 0.778 860 G HN 0.479 nan 8.290 nan 0.000 0.543 861 S N -0.607 115.129 115.700 0.059 0.000 2.575 861 S HA 0.381 4.865 4.470 0.023 0.000 0.215 861 S C 1.758 176.429 174.600 0.118 0.000 0.966 861 S CA 0.647 58.896 58.200 0.082 0.000 0.911 861 S CB 0.250 63.491 63.200 0.069 0.000 0.780 861 S HN 1.272 nan 8.310 nan 0.000 0.514 862 G N 1.353 110.234 108.800 0.135 0.000 2.143 862 G HA2 -0.236 3.737 3.960 0.023 0.000 0.249 862 G HA3 -0.236 3.737 3.960 0.023 0.000 0.249 862 G C -0.207 174.839 174.900 0.243 0.000 0.981 862 G CA -0.187 45.064 45.100 0.251 0.000 0.665 862 G HN 0.566 nan 8.290 nan 0.000 0.528 863 Q N -0.376 119.502 119.800 0.130 0.000 2.243 863 Q HA 0.575 4.929 4.340 0.023 0.000 0.252 863 Q C 0.178 176.220 176.000 0.071 0.000 0.909 863 Q CA -0.238 55.647 55.803 0.137 0.000 0.922 863 Q CB 1.689 30.494 28.738 0.111 0.000 1.215 863 Q HN 0.482 nan 8.270 nan 0.000 0.427 864 M N 2.077 121.759 119.600 0.138 0.000 2.101 864 M HA 0.479 4.972 4.480 0.023 0.000 0.340 864 M C -1.298 175.114 176.300 0.186 0.000 1.057 864 M CA -0.450 54.900 55.300 0.084 0.000 0.984 864 M CB 0.996 33.646 32.600 0.084 0.000 1.560 864 M HN 0.706 nan 8.290 nan 0.000 0.435 865 A N 6.856 129.748 122.820 0.120 0.000 2.274 865 A HA 0.717 5.051 4.320 0.023 0.000 0.309 865 A C -0.824 176.819 177.584 0.099 0.000 1.226 865 A CA -0.639 51.471 52.037 0.122 0.000 0.853 865 A CB 0.263 19.310 19.000 0.077 0.000 1.146 865 A HN 0.926 nan 8.150 nan 0.000 0.518 866 I N 1.895 122.516 120.570 0.085 0.000 2.433 866 I HA 0.366 4.550 4.170 0.023 0.000 0.292 866 I C 0.031 176.064 176.117 -0.140 0.000 1.001 866 I CA -0.243 61.018 61.300 -0.066 0.000 1.119 866 I CB 2.285 40.280 38.000 -0.007 0.000 1.289 866 I HN 0.495 nan 8.210 nan 0.000 0.438 867 T N 5.518 119.944 114.554 -0.214 0.000 2.823 867 T HA 0.647 5.011 4.350 0.023 0.000 0.279 867 T C -0.544 173.967 174.700 -0.315 0.000 0.998 867 T CA -0.431 61.542 62.100 -0.211 0.000 0.994 867 T CB 1.845 70.688 68.868 -0.042 0.000 0.960 867 T HN 0.254 nan 8.240 nan 0.000 0.448 868 V N 3.713 123.338 119.914 -0.482 0.000 2.623 868 V HA 0.488 4.621 4.120 0.023 0.000 0.304 868 V C -1.020 174.939 176.094 -0.224 0.000 1.054 868 V CA -0.959 61.088 62.300 -0.422 0.000 0.882 868 V CB 2.191 33.538 31.823 -0.793 0.000 1.002 868 V HN 0.870 nan 8.190 nan 0.000 0.424 869 D N 3.409 123.830 120.400 0.036 0.000 2.549 869 D HA 0.551 5.205 4.640 0.023 0.000 0.251 869 D C -1.119 175.309 176.300 0.214 0.000 1.153 869 D CA -0.177 53.931 54.000 0.180 0.000 0.861 869 D CB 2.972 43.892 40.800 0.201 0.000 1.207 869 D HN 0.257 nan 8.370 nan 0.000 0.543 870 V N 2.196 122.271 119.914 0.269 0.000 2.680 870 V HA 0.286 4.420 4.120 0.023 0.000 0.309 870 V C -0.090 176.154 176.094 0.250 0.000 1.052 870 V CA -0.674 61.799 62.300 0.289 0.000 0.908 870 V CB 2.582 34.612 31.823 0.345 0.000 1.001 870 V HN 0.383 nan 8.190 nan 0.000 0.431 871 E N 2.485 122.818 120.200 0.222 0.000 2.183 871 E HA 0.628 4.992 4.350 0.023 0.000 0.271 871 E C -1.539 175.179 176.600 0.197 0.000 0.919 871 E CA -0.581 55.927 56.400 0.179 0.000 0.781 871 E CB 2.553 32.340 29.700 0.144 0.000 1.140 871 E HN 0.398 nan 8.360 nan 0.000 0.402 872 V N 2.204 122.236 119.914 0.196 0.000 2.444 872 V HA 0.360 4.494 4.120 0.023 0.000 0.294 872 V C 0.076 176.256 176.094 0.144 0.000 1.022 872 V CA -0.935 61.500 62.300 0.225 0.000 0.850 872 V CB 1.457 33.459 31.823 0.298 0.000 0.992 872 V HN 0.837 nan 8.190 nan 0.000 0.426 873 A N 3.564 126.424 122.820 0.067 0.000 2.567 873 A HA 0.253 4.587 4.320 0.023 0.000 0.240 873 A C 1.620 179.263 177.584 0.099 0.000 1.053 873 A CA 0.631 52.698 52.037 0.051 0.000 0.755 873 A CB 0.217 19.215 19.000 -0.005 0.000 0.978 873 A HN 1.372 nan 8.150 nan 0.000 0.507 874 S N 1.228 116.986 115.700 0.096 0.000 2.442 874 S HA -0.157 4.327 4.470 0.023 0.000 0.236 874 S C 0.865 175.536 174.600 0.118 0.000 1.007 874 S CA 1.297 59.574 58.200 0.127 0.000 0.965 874 S CB -0.273 62.983 63.200 0.093 0.000 0.773 874 S HN 0.836 nan 8.310 nan 0.000 0.504 875 D N 0.193 120.639 120.400 0.076 0.000 2.340 875 D HA 0.147 4.801 4.640 0.023 0.000 0.217 875 D C 0.501 176.828 176.300 0.045 0.000 1.081 875 D CA 0.005 54.035 54.000 0.049 0.000 0.842 875 D CB -0.295 40.522 40.800 0.029 0.000 0.934 875 D HN 0.307 nan 8.370 nan 0.000 0.511 876 T N 1.130 115.733 114.554 0.081 0.000 2.943 876 T HA 0.432 4.796 4.350 0.023 0.000 0.284 876 T C -2.630 172.160 174.700 0.150 0.000 1.015 876 T CA -2.020 60.147 62.100 0.111 0.000 1.042 876 T CB 1.257 70.206 68.868 0.135 0.000 1.055 876 T HN -0.166 nan 8.240 nan 0.000 0.500 877 P HA 0.091 nan 4.420 nan 0.000 0.266 877 P C -0.636 176.954 177.300 0.483 0.000 1.195 877 P CA 0.086 63.282 63.100 0.160 0.000 0.768 877 P CB -0.080 31.705 31.700 0.142 0.000 0.838 878 H N 3.216 122.651 119.070 0.608 0.000 3.094 878 H HA 0.062 4.632 4.556 0.023 0.000 0.320 878 H C -1.578 174.099 175.328 0.582 0.000 1.000 878 H CA -1.201 55.148 56.048 0.503 0.000 1.413 878 H CB -0.580 29.414 29.762 0.386 0.000 1.405 878 H HN 0.385 nan 8.280 nan 0.000 0.586 879 P HA 0.024 nan 4.420 nan 0.000 0.274 879 P C 0.100 177.279 177.300 -0.202 0.000 1.231 879 P CA -0.329 62.824 63.100 0.087 0.000 0.790 879 P CB 1.125 32.738 31.700 -0.145 0.000 0.951 880 A N 3.171 125.591 122.820 -0.665 0.000 1.969 880 A HA -0.079 4.254 4.320 0.023 0.000 0.218 880 A C 1.005 178.185 177.584 -0.673 0.000 1.169 880 A CA 1.285 52.893 52.037 -0.714 0.000 0.635 880 A CB -0.531 17.814 19.000 -1.092 0.000 0.810 880 A HN 0.748 nan 8.150 nan 0.000 0.445 881 R N -2.806 117.335 120.500 -0.598 0.000 2.712 881 R HA 0.708 5.062 4.340 0.023 0.000 0.272 881 R C -1.617 174.428 176.300 -0.426 0.000 1.032 881 R CA -0.785 54.981 56.100 -0.557 0.000 0.874 881 R CB 0.788 30.713 30.300 -0.625 0.000 1.256 881 R HN -0.021 nan 8.270 nan 0.000 0.468 882 I N 1.395 121.751 120.570 -0.357 0.000 2.563 882 I HA 0.596 4.780 4.170 0.023 0.000 0.276 882 I C -0.388 175.485 176.117 -0.407 0.000 1.074 882 I CA -0.350 60.770 61.300 -0.299 0.000 1.124 882 I CB 1.634 39.510 38.000 -0.206 0.000 1.225 882 I HN 0.934 nan 8.210 nan 0.000 0.482 883 G N 5.405 113.917 108.800 -0.482 0.000 2.782 883 G HA2 0.796 4.770 3.960 0.023 0.000 0.304 883 G HA3 0.796 4.770 3.960 0.023 0.000 0.304 883 G C -1.449 173.279 174.900 -0.287 0.000 1.315 883 G CA -0.588 44.258 45.100 -0.423 0.000 0.791 883 G HN 0.215 nan 8.290 nan 0.000 0.519 884 L N 0.782 121.890 121.223 -0.191 0.000 2.323 884 L HA 0.649 5.003 4.340 0.023 0.000 0.265 884 L C -0.736 176.033 176.870 -0.168 0.000 1.012 884 L CA -1.156 53.603 54.840 -0.134 0.000 0.820 884 L CB 2.403 44.465 42.059 0.006 0.000 1.334 884 L HN 0.781 nan 8.230 nan 0.000 0.427 885 N N 0.478 119.106 118.700 -0.120 0.000 2.484 885 N HA 0.680 5.434 4.740 0.023 0.000 0.269 885 N C -1.251 174.264 175.510 0.009 0.000 1.237 885 N CA -0.596 52.414 53.050 -0.067 0.000 0.838 885 N CB 2.218 40.685 38.487 -0.034 0.000 1.593 885 N HN 0.846 nan 8.380 nan 0.000 0.485 886 C N -1.409 117.920 119.300 0.048 0.000 3.312 886 C HA 0.602 5.076 4.460 0.023 0.000 0.332 886 C C -1.147 173.751 174.990 -0.153 0.000 1.340 886 C CA -0.867 58.148 59.018 -0.006 0.000 1.265 886 C CB 1.136 28.877 27.740 0.001 0.000 1.563 886 C HN 0.862 nan 8.230 nan 0.000 0.471 887 Q N 1.239 120.758 119.800 -0.469 0.000 2.372 887 Q HA 0.653 5.007 4.340 0.023 0.000 0.259 887 Q C -1.193 174.543 176.000 -0.441 0.000 0.993 887 Q CA -0.420 54.854 55.803 -0.882 0.000 0.854 887 Q CB 0.913 28.615 28.738 -1.727 0.000 1.231 887 Q HN 0.772 nan 8.270 nan 0.000 0.462 888 L N 2.837 123.892 121.223 -0.280 0.000 2.397 888 L HA 0.264 4.618 4.340 0.023 0.000 0.271 888 L C 1.249 178.057 176.870 -0.102 0.000 1.148 888 L CA -0.186 54.604 54.840 -0.083 0.000 0.825 888 L CB 0.963 43.078 42.059 0.092 0.000 1.117 888 L HN 0.849 nan 8.230 nan 0.000 0.456 889 A N 2.667 125.451 122.820 -0.059 0.000 1.933 889 A HA -0.135 4.198 4.320 0.023 0.000 0.218 889 A C 0.982 178.547 177.584 -0.033 0.000 1.175 889 A CA 1.018 53.009 52.037 -0.077 0.000 0.628 889 A CB -0.378 18.567 19.000 -0.091 0.000 0.814 889 A HN 0.831 nan 8.150 nan 0.000 0.444 890 Q N -0.835 118.985 119.800 0.034 0.000 2.221 890 Q HA 0.579 4.933 4.340 0.023 0.000 0.242 890 Q C -1.179 174.859 176.000 0.063 0.000 0.940 890 Q CA -0.607 55.207 55.803 0.019 0.000 0.896 890 Q CB 1.581 30.311 28.738 -0.013 0.000 1.226 890 Q HN 0.042 nan 8.270 nan 0.000 0.463 891 V N 1.638 121.550 119.914 -0.003 0.000 2.444 891 V HA 0.806 4.940 4.120 0.023 0.000 0.294 891 V C -0.556 175.484 176.094 -0.090 0.000 1.022 891 V CA -0.283 62.046 62.300 0.048 0.000 0.850 891 V CB 0.833 32.675 31.823 0.032 0.000 0.992 891 V HN 0.956 nan 8.190 nan 0.000 0.426 892 A N 3.168 125.853 122.820 -0.226 0.000 2.346 892 A HA 0.848 5.182 4.320 0.023 0.000 0.313 892 A C 0.634 178.187 177.584 -0.050 0.000 1.140 892 A CA -0.360 51.483 52.037 -0.324 0.000 0.826 892 A CB 1.490 20.027 19.000 -0.773 0.000 1.332 892 A HN 0.627 nan 8.150 nan 0.000 0.457 893 E N 0.168 120.349 120.200 -0.032 0.000 2.086 893 E HA 0.028 4.391 4.350 0.023 0.000 0.190 893 E C 0.227 176.896 176.600 0.115 0.000 0.975 893 E CA 0.985 57.413 56.400 0.048 0.000 0.813 893 E CB 0.116 29.829 29.700 0.021 0.000 0.768 893 E HN 0.518 nan 8.360 nan 0.000 0.457 894 R N -0.294 120.282 120.500 0.127 0.000 2.832 894 R HA 0.559 4.913 4.340 0.023 0.000 0.271 894 R C -0.532 175.945 176.300 0.295 0.000 0.996 894 R CA -0.944 55.265 56.100 0.183 0.000 0.977 894 R CB 1.617 31.996 30.300 0.131 0.000 1.168 894 R HN -0.222 nan 8.270 nan 0.000 0.482 895 V N 1.819 121.926 119.914 0.321 0.000 2.531 895 V HA 0.360 4.494 4.120 0.023 0.000 0.301 895 V C -0.257 176.113 176.094 0.460 0.000 1.034 895 V CA -0.917 61.612 62.300 0.381 0.000 0.865 895 V CB 1.867 33.857 31.823 0.278 0.000 0.995 895 V HN 0.663 nan 8.190 nan 0.000 0.424 896 N N 4.465 123.409 118.700 0.407 0.000 2.354 896 N HA 0.537 5.291 4.740 0.023 0.000 0.287 896 N C -1.470 174.289 175.510 0.416 0.000 1.016 896 N CA -0.415 52.847 53.050 0.354 0.000 0.871 896 N CB 2.629 41.217 38.487 0.168 0.000 1.299 896 N HN 0.824 nan 8.380 nan 0.000 0.482 897 W N 3.340 124.678 121.300 0.063 0.000 3.167 897 W HA 0.562 5.235 4.660 0.023 0.000 0.324 897 W C -2.083 174.408 176.519 -0.046 0.000 1.230 897 W CA -1.122 56.236 57.345 0.022 0.000 1.184 897 W CB 0.657 30.157 29.460 0.066 0.000 1.414 897 W HN 0.222 nan 8.180 nan 0.000 0.551 898 L N 4.438 125.636 121.223 -0.042 0.000 2.276 898 L HA 0.933 5.287 4.340 0.023 0.000 0.286 898 L C 0.047 176.733 176.870 -0.307 0.000 1.024 898 L CA 0.439 55.055 54.840 -0.372 0.000 0.826 898 L CB 0.679 42.598 42.059 -0.234 0.000 1.211 898 L HN 1.026 nan 8.230 nan 0.000 0.422 899 G N 3.814 112.285 108.800 -0.550 0.000 2.360 899 G HA2 0.183 4.157 3.960 0.023 0.000 0.276 899 G HA3 0.183 4.157 3.960 0.023 0.000 0.276 899 G C -1.621 173.344 174.900 0.108 0.000 1.256 899 G CA -1.047 44.005 45.100 -0.079 0.000 0.890 899 G HN 0.483 nan 8.290 nan 0.000 0.486 900 L N 1.243 122.664 121.223 0.330 0.000 2.367 900 L HA 0.592 4.946 4.340 0.023 0.000 0.275 900 L C 1.072 178.058 176.870 0.194 0.000 1.129 900 L CA 0.855 55.839 54.840 0.240 0.000 0.839 900 L CB 0.564 42.700 42.059 0.129 0.000 1.133 900 L HN 1.169 nan 8.230 nan 0.000 0.453 901 G N 3.139 111.819 108.800 -0.199 0.000 2.427 901 G HA2 0.286 4.259 3.960 0.023 0.000 0.306 901 G HA3 0.286 4.259 3.960 0.023 0.000 0.306 901 G C -2.776 171.308 174.900 -1.360 0.000 1.280 901 G CA -0.292 44.342 45.100 -0.776 0.000 0.837 901 G HN 0.300 nan 8.290 nan 0.000 0.482 902 P HA 0.101 nan 4.420 nan 0.000 0.239 902 P C 0.363 177.483 177.300 -0.300 0.000 1.188 902 P CA 0.489 62.965 63.100 -1.040 0.000 0.794 902 P CB 0.481 31.642 31.700 -0.897 0.000 0.937 903 Q N 0.645 120.266 119.800 -0.298 0.000 2.316 903 Q HA 0.157 4.510 4.340 0.023 0.000 0.215 903 Q C 0.397 176.295 176.000 -0.170 0.000 1.020 903 Q CA -0.660 55.039 55.803 -0.174 0.000 0.970 903 Q CB 0.595 29.249 28.738 -0.140 0.000 1.187 903 Q HN 0.136 nan 8.270 nan 0.000 0.546 904 E N 1.305 121.411 120.200 -0.156 0.000 2.529 904 E HA -0.110 4.253 4.350 0.023 0.000 0.259 904 E C -1.152 175.371 176.600 -0.129 0.000 0.966 904 E CA 0.253 56.549 56.400 -0.174 0.000 0.937 904 E CB 0.195 29.864 29.700 -0.052 0.000 0.923 904 E HN 0.607 nan 8.360 nan 0.000 0.468 905 N N 2.912 121.462 118.700 -0.250 0.000 2.324 905 N HA 0.295 5.049 4.740 0.023 0.000 0.285 905 N C -1.850 173.442 175.510 -0.363 0.000 1.076 905 N CA -0.684 52.269 53.050 -0.161 0.000 0.864 905 N CB 0.737 39.152 38.487 -0.120 0.000 1.632 905 N HN 0.237 nan 8.380 nan 0.000 0.478 906 Y N 0.495 120.702 120.300 -0.156 0.000 2.621 906 Y HA 0.503 5.067 4.550 0.023 0.000 0.334 906 Y C -1.556 174.261 175.900 -0.137 0.000 1.074 906 Y CA -2.093 55.901 58.100 -0.177 0.000 1.149 906 Y CB 1.730 40.081 38.460 -0.181 0.000 1.302 906 Y HN 0.450 nan 8.280 nan 0.000 0.501 907 P HA -0.164 nan 4.420 nan 0.000 0.216 907 P C 0.369 177.516 177.300 -0.256 0.000 1.153 907 P CA 2.040 65.148 63.100 0.012 0.000 0.858 907 P CB 0.189 32.005 31.700 0.194 0.000 0.789 908 D N -2.148 117.870 120.400 -0.636 0.000 2.325 908 D HA -0.004 4.650 4.640 0.023 0.000 0.225 908 D C 0.706 176.845 176.300 -0.269 0.000 1.096 908 D CA 0.137 53.590 54.000 -0.913 0.000 0.844 908 D CB -0.295 39.784 40.800 -1.201 0.000 0.925 908 D HN 0.124 nan 8.370 nan 0.000 0.513 909 R N 0.896 121.338 120.500 -0.096 0.000 2.684 909 R HA 0.198 4.552 4.340 0.023 0.000 0.252 909 R C -0.617 175.711 176.300 0.047 0.000 1.628 909 R CA -0.150 55.962 56.100 0.021 0.000 1.622 909 R CB 0.069 30.391 30.300 0.037 0.000 1.418 909 R HN 0.105 nan 8.270 nan 0.000 0.697 910 L N -2.028 119.230 121.223 0.059 0.000 3.386 910 L HA 0.337 4.691 4.340 0.023 0.000 0.307 910 L C 1.326 178.253 176.870 0.095 0.000 1.235 910 L CA 0.084 54.958 54.840 0.058 0.000 1.056 910 L CB 0.173 42.253 42.059 0.035 0.000 1.453 910 L HN 0.077 nan 8.230 nan 0.000 0.615 911 T N -2.612 112.029 114.554 0.143 0.000 2.881 911 T HA 0.003 4.367 4.350 0.023 0.000 0.270 911 T C 1.792 176.547 174.700 0.092 0.000 1.068 911 T CA 1.315 63.526 62.100 0.185 0.000 1.131 911 T CB -0.327 68.703 68.868 0.271 0.000 0.871 911 T HN 0.390 nan 8.240 nan 0.000 0.479 912 A N 1.689 124.566 122.820 0.095 0.000 2.016 912 A HA 0.633 4.967 4.320 0.023 0.000 0.217 912 A C 1.664 179.320 177.584 0.121 0.000 1.162 912 A CA 0.551 52.577 52.037 -0.018 0.000 0.662 912 A CB -0.963 18.180 19.000 0.238 0.000 0.812 912 A HN 0.833 nan 8.150 nan 0.000 0.450 913 A N -1.147 121.701 122.820 0.045 0.000 2.386 913 A HA 0.437 4.771 4.320 0.023 0.000 0.248 913 A C 0.015 177.627 177.584 0.048 0.000 1.082 913 A CA 0.002 52.031 52.037 -0.013 0.000 0.789 913 A CB -0.123 18.858 19.000 -0.032 0.000 1.025 913 A HN 0.491 nan 8.150 nan 0.000 0.490 914 C N 0.586 119.922 119.300 0.059 0.000 2.561 914 C HA 0.552 5.026 4.460 0.023 0.000 0.319 914 C C -0.219 174.889 174.990 0.197 0.000 1.198 914 C CA -0.463 58.640 59.018 0.143 0.000 1.665 914 C CB 0.808 28.666 27.740 0.196 0.000 2.258 914 C HN 0.775 nan 8.230 nan 0.000 0.493 915 F N 3.888 123.682 119.950 -0.259 0.000 2.445 915 F HA 0.504 5.045 4.527 0.023 0.000 0.359 915 F C 0.349 175.828 175.800 -0.536 0.000 1.101 915 F CA 1.049 58.762 58.000 -0.478 0.000 1.177 915 F CB -0.015 38.196 39.000 -1.314 0.000 1.110 915 F HN 0.624 nan 8.300 nan 0.000 0.522 916 D N 3.264 123.040 120.400 -1.040 0.000 2.865 916 D HA 0.182 4.836 4.640 0.023 0.000 0.343 916 D C -1.619 173.807 176.300 -1.457 0.000 1.372 916 D CA -0.730 52.551 54.000 -1.199 0.000 0.862 916 D CB 1.531 41.599 40.800 -1.220 0.000 1.425 916 D HN 0.515 nan 8.370 nan 0.000 0.501 917 R N 0.642 120.377 120.500 -1.274 0.000 2.229 917 R HA 0.530 4.884 4.340 0.023 0.000 0.332 917 R C -1.337 174.248 176.300 -1.192 0.000 0.989 917 R CA -0.319 55.174 56.100 -1.011 0.000 0.842 917 R CB 0.404 30.363 30.300 -0.568 0.000 1.119 917 R HN 0.277 nan 8.270 nan 0.000 0.456 918 W N 2.536 123.329 121.300 -0.845 0.000 2.639 918 W HA 0.412 5.086 4.660 0.023 0.000 0.347 918 W C -0.482 175.678 176.519 -0.599 0.000 1.067 918 W CA -0.604 56.204 57.345 -0.895 0.000 1.218 918 W CB 1.697 30.132 29.460 -1.709 0.000 1.393 918 W HN 0.407 nan 8.180 nan 0.000 0.557 919 D N 2.467 122.841 120.400 -0.044 0.000 2.616 919 D HA 0.418 5.071 4.640 0.023 0.000 0.238 919 D C -1.492 174.916 176.300 0.180 0.000 1.354 919 D CA -0.126 53.935 54.000 0.101 0.000 0.970 919 D CB 0.950 41.770 40.800 0.034 0.000 1.369 919 D HN 0.386 nan 8.370 nan 0.000 0.585 920 L N 2.685 124.089 121.223 0.302 0.000 2.303 920 L HA 0.589 4.943 4.340 0.023 0.000 0.256 920 L C -2.331 174.664 176.870 0.208 0.000 1.034 920 L CA -2.299 52.684 54.840 0.238 0.000 0.832 920 L CB 2.517 44.757 42.059 0.302 0.000 1.403 920 L HN 0.176 nan 8.230 nan 0.000 0.419 921 P HA 0.047 nan 4.420 nan 0.000 0.271 921 P C 0.500 177.880 177.300 0.133 0.000 1.218 921 P CA -0.345 62.829 63.100 0.123 0.000 0.780 921 P CB 0.873 32.625 31.700 0.086 0.000 0.901 922 L N 3.457 124.762 121.223 0.137 0.000 2.043 922 L HA -0.260 4.094 4.340 0.023 0.000 0.212 922 L C 2.305 179.226 176.870 0.084 0.000 1.075 922 L CA 2.722 57.635 54.840 0.121 0.000 0.752 922 L CB -1.565 40.580 42.059 0.144 0.000 0.891 922 L HN 0.468 nan 8.230 nan 0.000 0.432 923 S N -1.379 114.371 115.700 0.083 0.000 2.392 923 S HA -0.264 4.220 4.470 0.023 0.000 0.232 923 S C 1.707 176.379 174.600 0.120 0.000 1.041 923 S CA 1.514 59.776 58.200 0.103 0.000 1.026 923 S CB -1.003 62.248 63.200 0.084 0.000 0.845 923 S HN 0.559 nan 8.310 nan 0.000 0.465 924 D N 1.033 121.481 120.400 0.081 0.000 2.310 924 D HA 0.057 4.711 4.640 0.023 0.000 0.212 924 D C 1.344 177.654 176.300 0.017 0.000 0.965 924 D CA 0.740 54.769 54.000 0.048 0.000 0.879 924 D CB -0.202 40.633 40.800 0.059 0.000 0.921 924 D HN 0.384 nan 8.370 nan 0.000 0.510 925 M N -0.524 119.092 119.600 0.027 0.000 2.563 925 M HA 0.060 4.554 4.480 0.023 0.000 0.231 925 M C -0.143 176.166 176.300 0.014 0.000 1.136 925 M CA -0.030 55.242 55.300 -0.047 0.000 1.026 925 M CB -0.792 31.773 32.600 -0.059 0.000 1.597 925 M HN -0.048 nan 8.290 nan 0.000 0.495 926 Y N -0.114 120.150 120.300 -0.060 0.000 2.361 926 Y HA 0.500 5.064 4.550 0.023 0.000 0.337 926 Y C -0.834 175.032 175.900 -0.055 0.000 0.965 926 Y CA -1.016 57.073 58.100 -0.018 0.000 1.091 926 Y CB 1.280 39.786 38.460 0.076 0.000 1.182 926 Y HN -0.137 nan 8.280 nan 0.000 0.450 927 T N 9.255 123.410 114.554 -0.665 0.000 2.756 927 T HA 0.291 4.654 4.350 0.023 0.000 0.290 927 T C -2.664 171.342 174.700 -1.157 0.000 0.985 927 T CA -1.485 60.145 62.100 -0.783 0.000 0.955 927 T CB 1.135 69.616 68.868 -0.644 0.000 0.930 927 T HN 0.468 nan 8.240 nan 0.000 0.451 928 P HA 0.131 nan 4.420 nan 0.000 0.218 928 P C -0.635 176.542 177.300 -0.206 0.000 1.793 928 P CA -0.466 62.218 63.100 -0.694 0.000 0.941 928 P CB -0.707 30.712 31.700 -0.468 0.000 1.919 929 Y N -0.241 120.066 120.300 0.012 0.000 2.712 929 Y HA -0.117 4.447 4.550 0.023 0.000 0.333 929 Y C 2.314 178.314 175.900 0.167 0.000 1.225 929 Y CA -0.423 57.793 58.100 0.192 0.000 1.499 929 Y CB 0.424 38.931 38.460 0.078 0.000 1.288 929 Y HN -0.081 nan 8.280 nan 0.000 0.575 930 V N 3.312 123.485 119.914 0.431 0.000 2.282 930 V HA -0.318 3.815 4.120 0.023 0.000 0.249 930 V C 0.598 176.873 176.094 0.302 0.000 1.057 930 V CA 1.491 63.998 62.300 0.345 0.000 1.032 930 V CB -0.604 31.455 31.823 0.394 0.000 0.645 930 V HN 0.605 nan 8.190 nan 0.000 0.447 931 F N 3.693 123.718 119.950 0.124 0.000 2.350 931 F HA 0.520 5.061 4.527 0.023 0.000 0.365 931 F C -2.439 173.382 175.800 0.035 0.000 1.122 931 F CA -3.583 54.425 58.000 0.014 0.000 1.139 931 F CB 0.592 39.481 39.000 -0.184 0.000 1.220 931 F HN 0.003 nan 8.300 nan 0.000 0.499 932 P HA 0.295 nan 4.420 nan 0.000 0.271 932 P C -0.999 175.957 177.300 -0.574 0.000 1.218 932 P CA -0.062 62.779 63.100 -0.433 0.000 0.780 932 P CB 1.456 32.957 31.700 -0.331 0.000 0.901 933 S N -0.277 115.305 115.700 -0.196 0.000 2.703 933 S HA 0.432 4.916 4.470 0.023 0.000 0.273 933 S C -0.826 173.772 174.600 -0.004 0.000 1.178 933 S CA -0.906 57.229 58.200 -0.109 0.000 0.838 933 S CB 0.428 63.594 63.200 -0.057 0.000 1.178 933 S HN 0.362 nan 8.310 nan 0.000 0.494 934 E N 1.087 121.296 120.200 0.017 0.000 2.481 934 E HA 0.376 4.740 4.350 0.023 0.000 0.263 934 E C -0.166 176.496 176.600 0.103 0.000 0.992 934 E CA 0.762 57.201 56.400 0.064 0.000 0.938 934 E CB -0.088 29.675 29.700 0.106 0.000 0.933 934 E HN 0.824 nan 8.360 nan 0.000 0.453 935 N N 1.214 120.016 118.700 0.170 0.000 3.185 935 N HA 0.458 5.212 4.740 0.023 0.000 0.238 935 N C 0.193 175.780 175.510 0.129 0.000 1.451 935 N CA -0.515 52.684 53.050 0.247 0.000 0.888 935 N CB 0.829 39.475 38.487 0.266 0.000 1.413 935 N HN 0.783 nan 8.380 nan 0.000 0.511 936 G N -1.354 107.484 108.800 0.062 0.000 2.184 936 G HA2 -0.270 3.704 3.960 0.023 0.000 0.264 936 G HA3 -0.270 3.704 3.960 0.023 0.000 0.264 936 G C -0.173 174.476 174.900 -0.417 0.000 0.975 936 G CA 0.421 45.433 45.100 -0.147 0.000 0.642 936 G HN 0.748 nan 8.290 nan 0.000 0.536 937 L N 0.186 121.082 121.223 -0.546 0.000 2.506 937 L HA 0.604 4.958 4.340 0.023 0.000 0.281 937 L C 0.698 176.982 176.870 -0.977 0.000 1.228 937 L CA 0.623 54.888 54.840 -0.957 0.000 0.850 937 L CB 0.490 41.617 42.059 -1.553 0.000 1.110 937 L HN 0.289 nan 8.230 nan 0.000 0.496 938 R N 2.579 122.425 120.500 -1.091 0.000 2.575 938 R HA 0.514 4.868 4.340 0.023 0.000 0.293 938 R C -0.981 174.961 176.300 -0.597 0.000 0.983 938 R CA -0.299 55.294 56.100 -0.845 0.000 0.887 938 R CB 1.467 31.132 30.300 -1.058 0.000 1.184 938 R HN 0.714 nan 8.270 nan 0.000 0.445 939 C N 0.258 119.366 119.300 -0.320 0.000 2.484 939 C HA 0.702 5.176 4.460 0.023 0.000 0.409 939 C C 1.262 176.236 174.990 -0.027 0.000 1.434 939 C CA -0.019 58.893 59.018 -0.178 0.000 1.913 939 C CB 1.287 28.944 27.740 -0.139 0.000 2.028 939 C HN 1.026 nan 8.230 nan 0.000 0.516 940 G N 1.707 110.500 108.800 -0.012 0.000 2.379 940 G HA2 -0.190 3.784 3.960 0.023 0.000 0.297 940 G HA3 -0.190 3.784 3.960 0.023 0.000 0.297 940 G C -0.040 174.930 174.900 0.117 0.000 1.004 940 G CA 0.652 45.791 45.100 0.064 0.000 0.921 940 G HN 0.797 nan 8.290 nan 0.000 0.511 941 T N -0.033 114.475 114.554 -0.078 0.000 2.771 941 T HA 0.512 4.876 4.350 0.023 0.000 0.291 941 T C 1.298 175.715 174.700 -0.472 0.000 0.954 941 T CA -0.588 61.402 62.100 -0.183 0.000 1.045 941 T CB 1.419 70.154 68.868 -0.222 0.000 0.917 941 T HN 0.198 nan 8.240 nan 0.000 0.484 942 R N 1.504 121.942 120.500 -0.103 0.000 2.282 942 R HA 0.291 4.645 4.340 0.023 0.000 0.195 942 R C 0.513 176.863 176.300 0.083 0.000 0.909 942 R CA 0.200 56.308 56.100 0.014 0.000 1.039 942 R CB 0.317 30.747 30.300 0.216 0.000 1.015 942 R HN 0.721 nan 8.270 nan 0.000 0.513 943 E N 0.480 120.723 120.200 0.071 0.000 2.347 943 E HA 0.258 4.622 4.350 0.023 0.000 0.285 943 E C -1.823 174.908 176.600 0.219 0.000 0.925 943 E CA -0.608 55.910 56.400 0.197 0.000 0.779 943 E CB 1.402 31.192 29.700 0.151 0.000 1.233 943 E HN -0.082 nan 8.360 nan 0.000 0.414 944 L N 3.930 125.346 121.223 0.322 0.000 2.386 944 L HA 0.620 4.973 4.340 0.023 0.000 0.271 944 L C -1.702 175.358 176.870 0.318 0.000 0.993 944 L CA -0.421 54.552 54.840 0.222 0.000 0.819 944 L CB 1.778 43.850 42.059 0.021 0.000 1.294 944 L HN 0.496 nan 8.230 nan 0.000 0.414 945 N N 4.223 123.086 118.700 0.272 0.000 2.346 945 N HA 0.383 5.137 4.740 0.023 0.000 0.289 945 N C -2.025 173.708 175.510 0.373 0.000 1.027 945 N CA -0.284 52.927 53.050 0.270 0.000 0.864 945 N CB 2.284 40.872 38.487 0.169 0.000 1.370 945 N HN 0.585 nan 8.380 nan 0.000 0.481 946 Y N 1.061 121.500 120.300 0.232 0.000 2.362 946 Y HA 0.420 4.984 4.550 0.023 0.000 0.326 946 Y C 0.635 176.638 175.900 0.171 0.000 1.083 946 Y CA 0.237 58.474 58.100 0.227 0.000 1.073 946 Y CB 0.867 39.523 38.460 0.327 0.000 1.211 946 Y HN 0.868 nan 8.280 nan 0.000 0.433 947 G N 6.501 115.146 108.800 -0.259 0.000 2.574 947 G HA2 -0.287 3.687 3.960 0.023 0.000 0.286 947 G HA3 -0.287 3.687 3.960 0.023 0.000 0.286 947 G C -1.875 172.915 174.900 -0.182 0.000 1.212 947 G CA 0.086 45.022 45.100 -0.274 0.000 0.979 947 G HN 0.564 nan 8.290 nan 0.000 0.557 948 P HA 0.142 nan 4.420 nan 0.000 0.245 948 P C 0.301 177.433 177.300 -0.280 0.000 1.206 948 P CA 0.662 63.588 63.100 -0.291 0.000 0.781 948 P CB 0.027 31.487 31.700 -0.400 0.000 0.994 949 H N 0.640 119.640 119.070 -0.117 0.000 2.551 949 H HA 0.422 4.992 4.556 0.023 0.000 0.358 949 H C 0.145 175.192 175.328 -0.469 0.000 1.151 949 H CA 0.266 56.112 56.048 -0.337 0.000 1.374 949 H CB 1.257 30.666 29.762 -0.588 0.000 1.473 949 H HN 0.106 nan 8.280 nan 0.000 0.574 950 Q N 2.650 122.141 119.800 -0.515 0.000 2.268 950 Q HA 0.204 4.558 4.340 0.023 0.000 0.266 950 Q C -1.757 173.937 176.000 -0.510 0.000 1.006 950 Q CA -0.660 54.938 55.803 -0.340 0.000 0.824 950 Q CB 1.836 30.542 28.738 -0.054 0.000 1.306 950 Q HN 0.586 nan 8.270 nan 0.000 0.424 951 W N 4.280 125.530 121.300 -0.085 0.000 2.532 951 W HA 0.565 5.239 4.660 0.023 0.000 0.321 951 W C -0.125 176.483 176.519 0.149 0.000 1.037 951 W CA -0.706 56.562 57.345 -0.127 0.000 1.220 951 W CB 1.846 31.035 29.460 -0.451 0.000 1.361 951 W HN 0.524 nan 8.180 nan 0.000 0.468 952 R N 0.656 121.387 120.500 0.385 0.000 2.832 952 R HA 0.828 5.182 4.340 0.023 0.000 0.271 952 R C 0.314 176.899 176.300 0.475 0.000 0.996 952 R CA -0.406 55.941 56.100 0.411 0.000 0.977 952 R CB 2.277 32.732 30.300 0.257 0.000 1.168 952 R HN 0.735 nan 8.270 nan 0.000 0.482 953 G N 0.508 109.573 108.800 0.442 0.000 2.470 953 G HA2 -0.028 3.946 3.960 0.023 0.000 0.145 953 G HA3 -0.028 3.946 3.960 0.023 0.000 0.145 953 G C -1.731 173.330 174.900 0.267 0.000 1.223 953 G CA -0.378 44.962 45.100 0.401 0.000 1.058 953 G HN 0.509 nan 8.290 nan 0.000 0.469 954 D N 0.100 120.675 120.400 0.292 0.000 2.411 954 D HA 0.575 5.229 4.640 0.023 0.000 0.239 954 D C -0.642 175.702 176.300 0.072 0.000 1.307 954 D CA -0.382 53.660 54.000 0.069 0.000 0.930 954 D CB 0.074 40.935 40.800 0.103 0.000 1.395 954 D HN 0.576 nan 8.370 nan 0.000 0.536 955 F N -0.366 119.588 119.950 0.006 0.000 2.824 955 F HA 0.734 5.275 4.527 0.023 0.000 0.330 955 F C -0.860 174.901 175.800 -0.065 0.000 1.175 955 F CA -1.034 56.907 58.000 -0.098 0.000 0.974 955 F CB 0.692 39.632 39.000 -0.100 0.000 1.430 955 F HN -0.191 nan 8.300 nan 0.000 0.507 956 Q N 1.378 121.265 119.800 0.144 0.000 2.348 956 Q HA 0.663 5.016 4.340 0.023 0.000 0.271 956 Q C -1.251 174.842 176.000 0.155 0.000 1.067 956 Q CA -0.558 55.244 55.803 -0.002 0.000 0.839 956 Q CB 2.727 31.355 28.738 -0.183 0.000 1.354 956 Q HN 0.863 nan 8.270 nan 0.000 0.447 957 F N -1.227 118.611 119.950 -0.187 0.000 2.713 957 F HA 0.737 5.278 4.527 0.023 0.000 0.311 957 F C -1.730 173.861 175.800 -0.348 0.000 1.141 957 F CA -1.083 56.776 58.000 -0.236 0.000 0.939 957 F CB 1.499 40.404 39.000 -0.159 0.000 1.325 957 F HN 0.581 nan 8.300 nan 0.000 0.453 958 N N 1.457 120.023 118.700 -0.223 0.000 2.329 958 N HA 0.721 5.474 4.740 0.023 0.000 0.282 958 N C -2.181 173.292 175.510 -0.061 0.000 1.198 958 N CA -0.720 52.155 53.050 -0.292 0.000 0.790 958 N CB 2.563 40.872 38.487 -0.297 0.000 1.579 958 N HN 1.131 nan 8.380 nan 0.000 0.475 959 I N 0.585 121.102 120.570 -0.087 0.000 2.586 959 I HA 0.666 4.850 4.170 0.023 0.000 0.288 959 I C -1.378 174.655 176.117 -0.140 0.000 1.147 959 I CA 0.085 61.293 61.300 -0.154 0.000 1.047 959 I CB 1.220 39.060 38.000 -0.267 0.000 1.244 959 I HN 1.048 nan 8.210 nan 0.000 0.429 960 S N 6.145 121.771 115.700 -0.123 0.000 2.683 960 S HA 0.519 5.002 4.470 0.023 0.000 0.269 960 S C -0.293 174.180 174.600 -0.211 0.000 1.165 960 S CA -1.021 57.085 58.200 -0.156 0.000 0.840 960 S CB 1.671 64.826 63.200 -0.075 0.000 1.169 960 S HN 0.640 nan 8.310 nan 0.000 0.490 961 R N -0.053 120.130 120.500 -0.529 0.000 2.426 961 R HA 0.244 4.598 4.340 0.023 0.000 0.263 961 R C -0.897 175.083 176.300 -0.532 0.000 0.961 961 R CA 0.191 55.993 56.100 -0.497 0.000 1.086 961 R CB -0.598 29.385 30.300 -0.528 0.000 1.186 961 R HN 0.634 nan 8.270 nan 0.000 0.537 962 Y N 0.562 120.835 120.300 -0.045 0.000 2.350 962 Y HA 0.182 4.746 4.550 0.023 0.000 0.338 962 Y C 0.737 176.420 175.900 -0.361 0.000 0.961 962 Y CA -1.145 56.842 58.100 -0.190 0.000 1.100 962 Y CB 1.602 39.894 38.460 -0.281 0.000 1.179 962 Y HN -0.060 nan 8.280 nan 0.000 0.454 963 S N 1.740 117.093 115.700 -0.578 0.000 2.593 963 S HA 0.056 4.540 4.470 0.023 0.000 0.269 963 S C 0.860 175.112 174.600 -0.580 0.000 1.334 963 S CA -0.761 56.720 58.200 -1.198 0.000 1.015 963 S CB 1.241 63.480 63.200 -1.602 0.000 0.912 963 S HN 0.739 nan 8.310 nan 0.000 0.541 964 Q N 0.840 120.324 119.800 -0.526 0.000 2.181 964 Q HA -0.213 4.141 4.340 0.023 0.000 0.205 964 Q C 2.194 178.047 176.000 -0.244 0.000 0.980 964 Q CA 1.880 57.516 55.803 -0.278 0.000 0.862 964 Q CB -0.500 28.115 28.738 -0.204 0.000 0.905 964 Q HN 0.983 nan 8.270 nan 0.000 0.429 965 Q N 0.613 120.224 119.800 -0.316 0.000 2.084 965 Q HA -0.217 4.137 4.340 0.023 0.000 0.202 965 Q C 2.111 178.001 176.000 -0.183 0.000 0.978 965 Q CA 1.475 57.156 55.803 -0.204 0.000 0.844 965 Q CB 0.032 28.659 28.738 -0.186 0.000 0.898 965 Q HN 0.404 nan 8.270 nan 0.000 0.426 966 Q N 0.064 119.723 119.800 -0.234 0.000 2.046 966 Q HA -0.153 4.200 4.340 0.023 0.000 0.200 966 Q C 2.231 178.109 176.000 -0.204 0.000 0.975 966 Q CA 1.286 56.971 55.803 -0.197 0.000 0.836 966 Q CB -0.080 28.525 28.738 -0.222 0.000 0.896 966 Q HN 0.493 nan 8.270 nan 0.000 0.428 967 L N 0.664 121.760 121.223 -0.212 0.000 2.081 967 L HA -0.235 4.118 4.340 0.023 0.000 0.212 967 L C 2.714 179.458 176.870 -0.211 0.000 1.080 967 L CA 1.636 56.348 54.840 -0.214 0.000 0.754 967 L CB -0.524 41.444 42.059 -0.152 0.000 0.893 967 L HN 0.489 nan 8.230 nan 0.000 0.433 968 M N -1.872 117.633 119.600 -0.158 0.000 2.506 968 M HA -0.054 4.440 4.480 0.023 0.000 0.260 968 M C 1.436 177.668 176.300 -0.112 0.000 1.104 968 M CA 1.522 56.745 55.300 -0.128 0.000 1.112 968 M CB -0.201 32.334 32.600 -0.108 0.000 1.401 968 M HN 0.084 nan 8.290 nan 0.000 0.473 969 E N 0.933 121.064 120.200 -0.116 0.000 2.479 969 E HA 0.106 4.470 4.350 0.023 0.000 0.193 969 E C -0.380 176.175 176.600 -0.075 0.000 1.049 969 E CA 0.136 56.490 56.400 -0.078 0.000 0.870 969 E CB 0.569 30.229 29.700 -0.067 0.000 0.944 969 E HN 0.419 nan 8.360 nan 0.000 0.492 970 T N 0.135 114.611 114.554 -0.130 0.000 2.779 970 T HA 0.091 4.455 4.350 0.023 0.000 0.280 970 T C 1.017 175.623 174.700 -0.156 0.000 0.987 970 T CA -0.458 61.562 62.100 -0.133 0.000 0.966 970 T CB 1.705 70.456 68.868 -0.196 0.000 0.933 970 T HN 0.011 nan 8.240 nan 0.000 0.442 971 S N 1.930 117.639 115.700 0.015 0.000 2.478 971 S HA 0.065 4.549 4.470 0.023 0.000 0.222 971 S C 0.272 174.962 174.600 0.151 0.000 1.008 971 S CA 0.306 58.613 58.200 0.177 0.000 0.928 971 S CB -0.227 63.220 63.200 0.412 0.000 0.781 971 S HN 0.735 nan 8.310 nan 0.000 0.518 972 H N 0.793 119.853 119.070 -0.017 0.000 2.667 972 H HA 0.504 5.074 4.556 0.023 0.000 0.353 972 H C 0.980 176.241 175.328 -0.112 0.000 1.072 972 H CA -0.725 55.336 56.048 0.021 0.000 1.214 972 H CB 1.563 31.294 29.762 -0.051 0.000 1.600 972 H HN 0.169 nan 8.280 nan 0.000 0.527 973 R N 1.744 122.316 120.500 0.120 0.000 2.117 973 R HA -0.230 4.123 4.340 0.023 0.000 0.243 973 R C 1.060 177.341 176.300 -0.031 0.000 1.143 973 R CA 2.352 58.467 56.100 0.025 0.000 0.968 973 R CB -0.749 29.613 30.300 0.103 0.000 0.863 973 R HN 0.866 nan 8.270 nan 0.000 0.444 974 H N 0.238 119.288 119.070 -0.034 0.000 2.489 974 H HA 0.031 4.601 4.556 0.023 0.000 0.293 974 H C 1.627 176.862 175.328 -0.155 0.000 1.066 974 H CA 1.199 57.189 56.048 -0.097 0.000 1.305 974 H CB -0.143 29.546 29.762 -0.123 0.000 1.386 974 H HN 0.223 nan 8.280 nan 0.000 0.551 975 L N 0.757 121.573 121.223 -0.677 0.000 2.591 975 L HA 0.171 4.525 4.340 0.023 0.000 0.228 975 L C 0.330 177.059 176.870 -0.235 0.000 1.133 975 L CA -0.207 54.340 54.840 -0.489 0.000 0.880 975 L CB -0.006 41.743 42.059 -0.517 0.000 1.033 975 L HN 0.246 nan 8.230 nan 0.000 0.450 976 L N 0.773 121.849 121.223 -0.246 0.000 2.417 976 L HA 0.199 4.553 4.340 0.023 0.000 0.268 976 L C 0.100 176.919 176.870 -0.085 0.000 1.158 976 L CA -0.155 54.506 54.840 -0.298 0.000 0.819 976 L CB 0.560 42.228 42.059 -0.651 0.000 1.112 976 L HN 0.217 nan 8.230 nan 0.000 0.458 977 H N 1.412 120.489 119.070 0.013 0.000 2.771 977 H HA 0.560 5.130 4.556 0.023 0.000 0.361 977 H C -0.879 174.583 175.328 0.222 0.000 1.108 977 H CA -1.191 54.916 56.048 0.099 0.000 1.201 977 H CB 1.360 31.136 29.762 0.023 0.000 1.681 977 H HN 0.677 nan 8.280 nan 0.000 0.534 978 A N 3.329 126.273 122.820 0.207 0.000 2.540 978 A HA 0.112 4.446 4.320 0.023 0.000 0.239 978 A C 0.296 177.941 177.584 0.100 0.000 1.061 978 A CA -0.067 51.961 52.037 -0.014 0.000 0.758 978 A CB 0.016 18.970 19.000 -0.077 0.000 0.991 978 A HN 0.826 nan 8.150 nan 0.000 0.502 979 E N 1.142 121.358 120.200 0.028 0.000 2.302 979 E HA 0.283 4.646 4.350 0.023 0.000 0.255 979 E C -0.360 176.271 176.600 0.051 0.000 1.099 979 E CA -0.786 55.701 56.400 0.146 0.000 0.929 979 E CB 0.808 30.679 29.700 0.286 0.000 1.203 979 E HN 0.786 nan 8.360 nan 0.000 0.459 980 E N 0.036 120.256 120.200 0.032 0.000 2.404 980 E HA 0.252 4.615 4.350 0.023 0.000 0.261 980 E C 0.307 176.841 176.600 -0.110 0.000 1.074 980 E CA 0.489 56.868 56.400 -0.034 0.000 0.917 980 E CB 0.628 30.301 29.700 -0.045 0.000 0.965 980 E HN 0.677 nan 8.360 nan 0.000 0.433 981 G N 1.711 110.454 108.800 -0.096 0.000 2.740 981 G HA2 -0.247 3.727 3.960 0.023 0.000 0.250 981 G HA3 -0.247 3.727 3.960 0.023 0.000 0.250 981 G C -0.555 174.260 174.900 -0.142 0.000 1.358 981 G CA -0.208 44.819 45.100 -0.122 0.000 0.897 981 G HN 0.524 nan 8.290 nan 0.000 0.567 982 T N 0.412 114.880 114.554 -0.142 0.000 2.812 982 T HA 0.478 4.842 4.350 0.023 0.000 0.282 982 T C -0.496 174.066 174.700 -0.230 0.000 0.990 982 T CA -0.130 61.893 62.100 -0.128 0.000 0.960 982 T CB 1.165 70.049 68.868 0.028 0.000 0.948 982 T HN 0.530 nan 8.240 nan 0.000 0.438 983 W N 3.539 124.745 121.300 -0.157 0.000 2.345 983 W HA 0.537 5.211 4.660 0.023 0.000 0.308 983 W C -0.173 176.216 176.519 -0.216 0.000 1.273 983 W CA -0.726 56.524 57.345 -0.158 0.000 1.243 983 W CB 0.554 29.931 29.460 -0.138 0.000 1.260 983 W HN 0.363 nan 8.180 nan 0.000 0.509 984 L N 5.903 127.114 121.223 -0.021 0.000 2.313 984 L HA 0.490 4.844 4.340 0.023 0.000 0.283 984 L C -0.861 175.902 176.870 -0.178 0.000 1.013 984 L CA -0.400 54.308 54.840 -0.220 0.000 0.816 984 L CB 0.715 42.493 42.059 -0.469 0.000 1.236 984 L HN 0.303 nan 8.230 nan 0.000 0.419 985 N N 6.269 124.861 118.700 -0.180 0.000 2.443 985 N HA 0.427 5.181 4.740 0.023 0.000 0.269 985 N C -1.255 174.120 175.510 -0.225 0.000 0.985 985 N CA -0.199 52.747 53.050 -0.173 0.000 0.921 985 N CB 2.509 40.920 38.487 -0.127 0.000 1.195 985 N HN 0.624 nan 8.380 nan 0.000 0.492 986 I N 1.938 122.333 120.570 -0.292 0.000 2.411 986 I HA 0.248 4.432 4.170 0.023 0.000 0.284 986 I C -1.132 174.802 176.117 -0.305 0.000 1.012 986 I CA -0.555 60.537 61.300 -0.347 0.000 1.119 986 I CB 0.779 38.397 38.000 -0.636 0.000 1.261 986 I HN 0.241 nan 8.210 nan 0.000 0.448 987 D N 5.039 125.298 120.400 -0.234 0.000 2.256 987 D HA 0.337 4.991 4.640 0.023 0.000 0.246 987 D C 0.783 176.789 176.300 -0.490 0.000 1.042 987 D CA -0.291 53.499 54.000 -0.350 0.000 0.841 987 D CB 2.256 42.951 40.800 -0.176 0.000 1.223 987 D HN 0.676 nan 8.370 nan 0.000 0.470 988 G N 0.863 109.070 108.800 -0.989 0.000 2.430 988 G HA2 0.033 4.006 3.960 0.023 0.000 0.216 988 G HA3 0.033 4.006 3.960 0.023 0.000 0.216 988 G C 0.053 174.171 174.900 -1.303 0.000 1.146 988 G CA 0.446 44.842 45.100 -1.173 0.000 0.793 988 G HN 0.362 nan 8.290 nan 0.000 0.537 989 F N -1.913 117.834 119.950 -0.337 0.000 2.608 989 F HA 0.568 5.109 4.527 0.023 0.000 0.309 989 F C -0.616 175.075 175.800 -0.181 0.000 1.103 989 F CA -1.170 56.711 58.000 -0.199 0.000 0.954 989 F CB 2.095 40.894 39.000 -0.336 0.000 1.267 989 F HN 0.012 nan 8.300 nan 0.000 0.444 990 H N 2.144 121.212 119.070 -0.003 0.000 2.771 990 H HA 0.552 5.122 4.556 0.023 0.000 0.361 990 H C -0.753 174.596 175.328 0.036 0.000 1.108 990 H CA -0.879 55.147 56.048 -0.037 0.000 1.201 990 H CB 1.862 31.587 29.762 -0.062 0.000 1.681 990 H HN 0.779 nan 8.280 nan 0.000 0.534 991 M N 3.414 122.962 119.600 -0.086 0.000 2.226 991 M HA 0.319 4.812 4.480 0.023 0.000 0.324 991 M C 0.420 176.827 176.300 0.179 0.000 1.112 991 M CA 0.248 55.571 55.300 0.038 0.000 1.176 991 M CB 0.443 32.972 32.600 -0.119 0.000 1.430 991 M HN 0.813 nan 8.290 nan 0.000 0.462 992 G N 2.321 111.203 108.800 0.138 0.000 2.699 992 G HA2 0.278 4.252 3.960 0.023 0.000 0.246 992 G HA3 0.278 4.252 3.960 0.023 0.000 0.246 992 G C 0.569 175.455 174.900 -0.024 0.000 1.219 992 G CA -0.293 44.821 45.100 0.023 0.000 0.866 992 G HN 0.973 nan 8.290 nan 0.000 0.572 993 I N -1.731 118.777 120.570 -0.103 0.000 3.708 993 I HA 0.417 4.601 4.170 0.023 0.000 0.302 993 I C 1.241 177.292 176.117 -0.110 0.000 1.255 993 I CA 0.451 61.656 61.300 -0.159 0.000 1.362 993 I CB -0.508 37.295 38.000 -0.329 0.000 1.100 993 I HN 0.943 nan 8.210 nan 0.000 0.434 994 G N 1.637 110.394 108.800 -0.072 0.000 2.601 994 G HA2 0.019 3.992 3.960 0.023 0.000 0.252 994 G HA3 0.019 3.992 3.960 0.023 0.000 0.252 994 G C 0.587 175.482 174.900 -0.009 0.000 1.294 994 G CA 0.190 45.284 45.100 -0.011 0.000 0.912 994 G HN 1.386 nan 8.290 nan 0.000 0.574 995 G N -2.422 106.386 108.800 0.014 0.000 2.559 995 G HA2 0.013 3.987 3.960 0.023 0.000 0.202 995 G HA3 0.013 3.987 3.960 0.023 0.000 0.202 995 G C 0.651 175.600 174.900 0.080 0.000 0.992 995 G CA 0.932 46.048 45.100 0.025 0.000 0.764 995 G HN 0.956 nan 8.290 nan 0.000 0.525 996 D N 1.275 121.743 120.400 0.113 0.000 2.190 996 D HA 0.084 4.737 4.640 0.023 0.000 0.200 996 D C 1.016 177.342 176.300 0.042 0.000 0.992 996 D CA 2.085 56.215 54.000 0.217 0.000 0.854 996 D CB 0.121 41.064 40.800 0.238 0.000 0.936 996 D HN 0.827 nan 8.370 nan 0.000 0.462 997 D N -3.479 116.739 120.400 -0.303 0.000 2.615 997 D HA 0.357 5.011 4.640 0.023 0.000 0.267 997 D C -0.814 174.997 176.300 -0.814 0.000 1.236 997 D CA -0.748 52.640 54.000 -1.021 0.000 0.839 997 D CB 0.997 40.547 40.800 -2.084 0.000 1.380 997 D HN -0.315 nan 8.370 nan 0.000 0.433 998 S N -0.468 114.604 115.700 -1.047 0.000 2.624 998 S HA 0.239 4.723 4.470 0.023 0.000 0.246 998 S C -0.636 174.037 174.600 0.121 0.000 1.072 998 S CA -0.710 57.361 58.200 -0.215 0.000 1.045 998 S CB -0.504 62.773 63.200 0.129 0.000 0.851 998 S HN 0.632 nan 8.310 nan 0.000 0.480 999 W N 0.795 122.034 121.300 -0.101 0.000 2.304 999 W HA 0.511 5.184 4.660 0.022 0.000 0.326 999 W C -0.013 176.461 176.519 -0.075 0.000 0.920 999 W CA -0.497 56.796 57.345 -0.086 0.000 1.518 999 W CB -0.424 28.914 29.460 -0.204 0.000 1.112 999 W HN 0.179 nan 8.180 nan 0.000 0.528 1000 S N -0.935 114.670 115.700 -0.157 0.000 2.550 1000 S HA 0.596 5.080 4.470 0.023 0.000 0.270 1000 S C -3.062 171.484 174.600 -0.090 0.000 1.145 1000 S CA -1.696 56.448 58.200 -0.092 0.000 0.852 1000 S CB 1.604 64.762 63.200 -0.070 0.000 1.119 1000 S HN -0.232 nan 8.310 nan 0.000 0.465 1001 P HA 0.121 nan 4.420 nan 0.000 0.260 1001 P C 0.462 177.810 177.300 0.080 0.000 1.172 1001 P CA 0.208 63.331 63.100 0.038 0.000 0.760 1001 P CB 0.450 32.059 31.700 -0.152 0.000 0.773 1002 S N 0.880 116.663 115.700 0.139 0.000 2.780 1002 S HA 0.137 4.621 4.470 0.023 0.000 0.248 1002 S C 0.211 174.896 174.600 0.142 0.000 1.036 1002 S CA -0.317 57.936 58.200 0.088 0.000 1.061 1002 S CB -0.210 62.989 63.200 -0.001 0.000 1.037 1002 S HN 0.111 nan 8.310 nan 0.000 0.584 1003 V N 2.971 123.014 119.914 0.215 0.000 2.470 1003 V HA 0.357 4.491 4.120 0.023 0.000 0.276 1003 V C 0.833 177.077 176.094 0.249 0.000 1.040 1003 V CA -0.258 62.154 62.300 0.187 0.000 1.008 1003 V CB 0.860 32.736 31.823 0.089 0.000 0.990 1003 V HN 0.532 nan 8.190 nan 0.000 0.477 1004 S N 4.181 120.038 115.700 0.262 0.000 2.568 1004 S HA 0.262 4.746 4.470 0.023 0.000 0.282 1004 S C 1.555 176.292 174.600 0.229 0.000 1.338 1004 S CA 0.079 58.425 58.200 0.244 0.000 1.045 1004 S CB 1.084 64.440 63.200 0.260 0.000 0.873 1004 S HN 0.992 nan 8.310 nan 0.000 0.516 1005 A N 3.663 126.576 122.820 0.154 0.000 1.948 1005 A HA -0.156 4.178 4.320 0.023 0.000 0.220 1005 A C 2.018 179.632 177.584 0.050 0.000 1.177 1005 A CA 1.880 53.994 52.037 0.128 0.000 0.636 1005 A CB -0.711 18.342 19.000 0.088 0.000 0.815 1005 A HN 0.972 nan 8.150 nan 0.000 0.449 1006 E N -0.863 119.300 120.200 -0.062 0.000 2.472 1006 E HA -0.134 4.230 4.350 0.023 0.000 0.200 1006 E C 0.804 177.172 176.600 -0.386 0.000 1.046 1006 E CA 0.808 57.056 56.400 -0.254 0.000 0.871 1006 E CB -0.441 29.025 29.700 -0.390 0.000 0.806 1006 E HN 0.698 nan 8.360 nan 0.000 0.533 1007 F N 1.078 121.076 119.950 0.081 0.000 2.653 1007 F HA 0.256 4.797 4.527 0.022 0.000 0.304 1007 F C 0.927 176.765 175.800 0.063 0.000 1.092 1007 F CA -0.492 57.557 58.000 0.082 0.000 1.279 1007 F CB 0.550 39.599 39.000 0.081 0.000 1.044 1007 F HN -0.189 nan 8.300 nan 0.000 0.564 1008 Q N 1.332 121.241 119.800 0.182 0.000 2.235 1008 Q HA 0.370 4.724 4.340 0.023 0.000 0.250 1008 Q C -0.179 175.855 176.000 0.056 0.000 0.909 1008 Q CA -0.481 55.403 55.803 0.135 0.000 0.910 1008 Q CB 1.908 30.805 28.738 0.267 0.000 1.223 1008 Q HN 0.246 nan 8.270 nan 0.000 0.432 1009 L N 2.636 123.886 121.223 0.044 0.000 2.384 1009 L HA 0.080 4.434 4.340 0.023 0.000 0.258 1009 L C 0.712 177.581 176.870 -0.002 0.000 1.266 1009 L CA 0.011 54.873 54.840 0.037 0.000 1.162 1009 L CB -0.323 41.654 42.059 -0.138 0.000 1.375 1009 L HN 0.709 nan 8.230 nan 0.000 0.420 1010 S N -1.005 114.584 115.700 -0.186 0.000 2.554 1010 S HA 0.130 4.614 4.470 0.023 0.000 0.226 1010 S C 1.646 176.158 174.600 -0.146 0.000 0.980 1010 S CA 0.182 58.095 58.200 -0.477 0.000 0.939 1010 S CB 0.714 63.478 63.200 -0.726 0.000 0.832 1010 S HN 0.516 nan 8.310 nan 0.000 0.486 1011 A N 1.458 124.218 122.820 -0.100 0.000 2.121 1011 A HA 0.431 4.765 4.320 0.023 0.000 0.218 1011 A C 2.123 179.539 177.584 -0.280 0.000 1.154 1011 A CA 1.232 53.084 52.037 -0.308 0.000 0.679 1011 A CB -1.319 17.291 19.000 -0.650 0.000 0.795 1011 A HN 1.474 nan 8.150 nan 0.000 0.458 1012 G N -1.300 107.439 108.800 -0.103 0.000 2.708 1012 G HA2 -0.316 3.658 3.960 0.023 0.000 0.229 1012 G HA3 -0.316 3.658 3.960 0.023 0.000 0.229 1012 G C 0.479 175.361 174.900 -0.030 0.000 1.236 1012 G CA 0.551 45.646 45.100 -0.009 0.000 0.749 1012 G HN 0.695 nan 8.290 nan 0.000 0.515 1013 R N -0.507 119.850 120.500 -0.238 0.000 2.561 1013 R HA 0.695 5.048 4.340 0.023 0.000 0.297 1013 R C -1.541 174.502 176.300 -0.429 0.000 0.969 1013 R CA -0.564 55.439 56.100 -0.162 0.000 0.879 1013 R CB 1.480 31.724 30.300 -0.094 0.000 1.178 1013 R HN 0.271 nan 8.270 nan 0.000 0.445 1014 Y N 0.564 120.855 120.300 -0.015 0.000 2.457 1014 Y HA 0.315 4.878 4.550 0.023 0.000 0.343 1014 Y C -0.500 175.537 175.900 0.228 0.000 0.994 1014 Y CA -0.833 57.222 58.100 -0.074 0.000 1.031 1014 Y CB 2.170 40.445 38.460 -0.307 0.000 1.246 1014 Y HN 0.594 nan 8.280 nan 0.000 0.449 1015 H N 3.202 122.536 119.070 0.440 0.000 2.600 1015 H HA 0.621 5.191 4.556 0.023 0.000 0.357 1015 H C -1.717 173.987 175.328 0.626 0.000 1.106 1015 H CA -0.870 55.426 56.048 0.415 0.000 1.193 1015 H CB 1.217 31.117 29.762 0.230 0.000 1.594 1015 H HN 0.577 nan 8.280 nan 0.000 0.526 1016 Y N 1.710 121.814 120.300 -0.327 0.000 2.597 1016 Y HA 0.465 5.029 4.550 0.023 0.000 0.340 1016 Y C -1.975 173.694 175.900 -0.385 0.000 1.097 1016 Y CA -1.105 56.867 58.100 -0.213 0.000 1.037 1016 Y CB 1.440 39.885 38.460 -0.025 0.000 1.305 1016 Y HN 0.751 nan 8.280 nan 0.000 0.463 1017 Q N 2.982 122.739 119.800 -0.071 0.000 2.379 1017 Q HA 0.782 5.135 4.340 0.023 0.000 0.278 1017 Q C -2.129 173.932 176.000 0.101 0.000 1.068 1017 Q CA -1.070 54.683 55.803 -0.085 0.000 0.816 1017 Q CB 3.329 32.074 28.738 0.011 0.000 1.387 1017 Q HN 0.868 nan 8.270 nan 0.000 0.413 1018 L N 0.746 122.021 121.223 0.087 0.000 2.350 1018 L HA 0.740 5.093 4.340 0.023 0.000 0.260 1018 L C -0.979 176.007 176.870 0.193 0.000 1.015 1018 L CA -1.303 53.632 54.840 0.159 0.000 0.821 1018 L CB 2.671 44.795 42.059 0.110 0.000 1.370 1018 L HN 0.453 nan 8.230 nan 0.000 0.416 1019 V N 0.763 120.818 119.914 0.235 0.000 2.407 1019 V HA 0.363 4.496 4.120 0.023 0.000 0.291 1019 V C -1.291 174.983 176.094 0.299 0.000 1.018 1019 V CA -0.389 62.060 62.300 0.250 0.000 0.842 1019 V CB 1.936 33.880 31.823 0.201 0.000 0.996 1019 V HN 0.574 nan 8.190 nan 0.000 0.426 1020 W N 7.310 128.684 121.300 0.123 0.000 2.376 1020 W HA 0.709 5.383 4.660 0.023 0.000 0.312 1020 W C -0.307 176.230 176.519 0.031 0.000 1.060 1020 W CA -1.203 56.153 57.345 0.019 0.000 1.221 1020 W CB 1.412 30.951 29.460 0.132 0.000 1.281 1020 W HN 0.799 nan 8.180 nan 0.000 0.456 1021 C N 4.699 124.297 119.300 0.497 0.000 3.171 1021 C HA 0.647 5.120 4.460 0.023 0.000 0.308 1021 C C -0.356 174.766 174.990 0.220 0.000 1.334 1021 C CA -0.898 58.306 59.018 0.311 0.000 1.473 1021 C CB 1.773 29.629 27.740 0.193 0.000 1.866 1021 C HN 0.720 nan 8.230 nan 0.000 0.465 1022 Q N 1.452 121.335 119.800 0.138 0.000 2.205 1022 Q HA 0.625 4.979 4.340 0.023 0.000 0.249 1022 Q C -0.944 175.058 176.000 0.004 0.000 0.948 1022 Q CA -0.025 55.803 55.803 0.042 0.000 0.895 1022 Q CB 1.532 30.256 28.738 -0.024 0.000 1.249 1022 Q HN 0.871 nan 8.270 nan 0.000 0.458 1023 K N 0.000 120.371 120.400 -0.048 0.000 2.780 1023 K HA 0.000 4.334 4.320 0.023 0.000 0.191 1023 K CA 0.000 56.263 56.287 -0.040 0.000 0.838 1023 K CB 0.000 32.475 32.500 -0.042 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543